NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627799 | 6fi7 | 34234 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 13 HT1 GLY 13 18.177 -3.502 2.165 2 H2 GLY 13 HT2 GLY 13 18.891 -4.502 3.333 3 H3 GLY 13 HT3 GLY 13 19.613 -4.322 1.815 4 HA2 GLY 13 HA1 GLY 13 20.773 -3.047 3.517 5 HA3 GLY 13 HA2 GLY 13 20.117 -2.037 2.239 6 HA PRO 14 HA PRO 14 18.263 0.444 5.341 7 HB2 PRO 14 HB2 PRO 14 16.292 1.637 3.937 8 HB3 PRO 14 HB1 PRO 14 17.999 1.979 3.646 9 HG2 PRO 14 HG2 PRO 14 16.159 0.140 2.161 10 HG3 PRO 14 HG1 PRO 14 17.307 1.330 1.516 11 HD2 PRO 14 HD2 PRO 14 17.876 -1.304 1.652 12 HD3 PRO 14 HD1 PRO 14 19.116 -0.051 1.845 13 H GLU 15 HN GLU 15 15.511 1.217 5.284 14 HA GLU 15 HA GLU 15 14.343 -0.262 7.201 15 HB2 GLU 15 HB2 GLU 15 13.462 1.868 6.412 16 HB3 GLU 15 HB1 GLU 15 12.945 1.124 4.909 17 HG2 GLU 15 HG2 GLU 15 11.005 1.328 6.196 18 HG3 GLU 15 HG1 GLU 15 11.465 -0.369 6.328 19 H ASP 16 HN ASP 16 14.079 -0.909 3.736 20 HA ASP 16 HA ASP 16 12.033 -2.852 4.065 21 HB2 ASP 16 HB2 ASP 16 12.348 -1.571 1.969 22 HB3 ASP 16 HB1 ASP 16 13.836 -2.466 1.682 23 H THR 17 HN THR 17 15.182 -3.409 2.557 24 HA THR 17 HA THR 17 16.398 -5.284 2.300 25 HB THR 17 HB THR 17 17.257 -4.304 4.407 26 HG1 THR 17 HG1 THR 17 17.412 -7.141 4.438 27 HG21 THR 17 HG21 THR 17 15.328 -4.705 5.859 28 HG22 THR 17 HG22 THR 17 16.801 -5.404 6.533 29 HG23 THR 17 HG23 THR 17 15.607 -6.443 5.754 30 H THR 18 HN THR 18 13.567 -5.763 2.066 31 HA THR 18 HA THR 18 13.697 -8.642 2.075 32 HB THR 18 HB THR 18 11.316 -7.449 3.495 33 HG1 THR 18 HG1 THR 18 13.830 -7.782 4.480 34 HG21 THR 18 HG21 THR 18 11.085 -9.673 2.478 35 HG22 THR 18 HG22 THR 18 10.999 -9.756 4.237 36 HG23 THR 18 HG23 THR 18 12.476 -10.238 3.404 37 H GLN 19 HN GLN 19 13.750 -7.592 -0.125 38 HA GLN 19 HA GLN 19 11.418 -6.217 -1.031 39 HB2 GLN 19 HB2 GLN 19 13.908 -7.156 -2.436 40 HB3 GLN 19 HB1 GLN 19 12.636 -6.223 -3.218 41 HG2 GLN 19 HG2 GLN 19 13.005 -4.359 -1.777 42 HG3 GLN 19 HG1 GLN 19 14.093 -5.296 -0.753 43 HE21 GLN 19 HE21 GLN 19 13.720 -3.705 -3.833 44 HE22 GLN 19 HE22 GLN 19 15.400 -3.627 -4.222 45 H ASP 20 HN ASP 20 9.878 -7.826 -0.599 46 HA ASP 20 HA ASP 20 9.452 -9.577 -2.930 47 HB2 ASP 20 HB2 ASP 20 8.907 -10.379 -0.052 48 HB3 ASP 20 HB1 ASP 20 8.525 -11.338 -1.475 49 H ASP 21 HN ASP 21 6.920 -10.537 -1.753 50 HA ASP 21 HA ASP 21 5.203 -8.280 -1.997 51 HB2 ASP 21 HB2 ASP 21 3.427 -9.731 -1.324 52 HB3 ASP 21 HB1 ASP 21 4.524 -10.725 -2.272 53 H ASP 22 HN ASP 22 7.103 -9.677 0.454 54 HA ASP 22 HA ASP 22 5.986 -8.483 2.758 55 HB2 ASP 22 HB2 ASP 22 7.645 -10.421 2.643 56 HB3 ASP 22 HB1 ASP 22 8.891 -9.204 2.399 57 H MET 23 HN MET 23 7.897 -7.246 0.173 58 HA MET 23 HA MET 23 9.259 -5.102 1.274 59 HB2 MET 23 HB2 MET 23 9.465 -5.651 -1.078 60 HB3 MET 23 HB1 MET 23 7.785 -5.220 -1.360 61 HG2 MET 23 HG2 MET 23 8.342 -2.890 -0.679 62 HG3 MET 23 HG1 MET 23 10.036 -3.370 -0.609 63 HE1 MET 23 HE1 MET 23 10.701 -4.366 -4.346 64 HE2 MET 23 HE2 MET 23 10.123 -5.431 -3.065 65 HE3 MET 23 HE3 MET 23 11.386 -4.252 -2.726 66 H LYS 24 HN LYS 24 5.903 -5.614 1.059 67 HA LYS 24 HA LYS 24 4.870 -3.058 1.165 68 HB2 LYS 24 HB2 LYS 24 3.562 -5.188 1.037 69 HB3 LYS 24 HB1 LYS 24 3.877 -5.431 2.751 70 HG2 LYS 24 HG2 LYS 24 1.669 -4.471 2.357 71 HG3 LYS 24 HG1 LYS 24 2.703 -3.374 3.277 72 HD2 LYS 24 HD2 LYS 24 3.272 -2.261 1.089 73 HD3 LYS 24 HD1 LYS 24 1.993 -3.227 0.354 74 HE2 LYS 24 HE2 LYS 24 1.274 -0.968 0.970 75 HE3 LYS 24 HE1 LYS 24 0.363 -2.228 1.792 76 HZ1 LYS 24 HZ1 LYS 24 0.894 -0.536 3.353 77 HZ2 LYS 24 HZ2 LYS 24 2.533 -0.559 2.932 78 HZ3 LYS 24 HZ3 LYS 24 1.847 -1.883 3.730 79 H GLN 25 HN GLN 25 6.730 -4.793 3.478 80 HA GLN 25 HA GLN 25 6.123 -3.408 5.843 81 HB2 GLN 25 HB2 GLN 25 7.403 -5.446 5.875 82 HB3 GLN 25 HB1 GLN 25 8.660 -4.726 4.880 83 HG2 GLN 25 HG2 GLN 25 8.356 -3.108 7.181 84 HG3 GLN 25 HG1 GLN 25 8.439 -4.789 7.707 85 HE21 GLN 25 HE21 GLN 25 9.928 -3.613 4.801 86 HE22 GLN 25 HE22 GLN 25 11.571 -3.824 5.305 87 H SER 26 HN SER 26 8.395 -2.656 3.199 88 HA SER 26 HA SER 26 9.441 -0.329 4.461 89 HB2 SER 26 HB2 SER 26 10.633 -1.443 2.655 90 HB3 SER 26 HB1 SER 26 9.317 -1.103 1.538 91 HG SER 26 HG SER 26 10.875 0.449 1.240 92 H ILE 27 HN ILE 27 6.674 -1.004 2.427 93 HA ILE 27 HA ILE 27 5.914 1.721 2.024 94 HB ILE 27 HB ILE 27 4.001 -0.602 2.025 95 HG12 ILE 27 HG12 ILE 27 5.956 -1.251 0.668 96 HG13 ILE 27 HG11 ILE 27 4.530 -0.966 -0.335 97 HG21 ILE 27 HG21 ILE 27 2.837 0.731 0.349 98 HG22 ILE 27 HG22 ILE 27 4.091 1.964 0.444 99 HG23 ILE 27 HG23 ILE 27 3.059 1.645 1.838 100 HD11 ILE 27 HD11 ILE 27 6.580 -0.068 -1.318 101 HD12 ILE 27 HD12 ILE 27 6.766 0.999 0.079 102 HD13 ILE 27 HD13 ILE 27 5.381 1.185 -0.997 103 H VAL 28 HN VAL 28 5.758 -0.437 4.634 104 HA VAL 28 HA VAL 28 3.598 0.724 6.053 105 HB VAL 28 HB VAL 28 5.979 -0.905 6.936 106 HG11 VAL 28 HG11 VAL 28 5.351 0.549 8.788 107 HG12 VAL 28 HG12 VAL 28 4.930 -1.130 9.119 108 HG13 VAL 28 HG13 VAL 28 3.674 0.018 8.645 109 HG21 VAL 28 HG21 VAL 28 4.294 -2.645 7.276 110 HG22 VAL 28 HG22 VAL 28 4.287 -2.061 5.610 111 HG23 VAL 28 HG23 VAL 28 3.035 -1.534 6.734 112 H LYS 29 HN LYS 29 6.982 1.521 5.638 113 HA LYS 29 HA LYS 29 7.091 3.529 7.618 114 HB2 LYS 29 HB2 LYS 29 9.120 2.553 6.710 115 HB3 LYS 29 HB1 LYS 29 8.712 3.165 5.115 116 HG2 LYS 29 HG2 LYS 29 9.024 5.391 5.773 117 HG3 LYS 29 HG1 LYS 29 9.109 4.958 7.471 118 HD2 LYS 29 HD2 LYS 29 11.329 5.415 6.737 119 HD3 LYS 29 HD1 LYS 29 11.189 3.671 6.955 120 HE2 LYS 29 HE2 LYS 29 10.932 3.347 4.591 121 HE3 LYS 29 HE1 LYS 29 10.879 5.088 4.320 122 HZ1 LYS 29 HZ1 LYS 29 13.056 4.147 3.800 123 HZ2 LYS 29 HZ2 LYS 29 13.215 3.602 5.393 124 HZ3 LYS 29 HZ3 LYS 29 13.152 5.257 5.071 125 H TRP 30 HN TRP 30 5.987 3.411 4.311 126 HA TRP 30 HA TRP 30 5.715 6.136 3.764 127 HB2 TRP 30 HB2 TRP 30 4.658 3.644 2.691 128 HB3 TRP 30 HB1 TRP 30 3.520 4.977 2.539 129 HD1 TRP 30 HD1 TRP 30 6.366 3.432 0.797 130 HE1 TRP 30 HE1 TRP 30 7.263 4.998 -1.031 131 HE3 TRP 30 HE3 TRP 30 3.981 7.741 2.173 132 HZ2 TRP 30 HZ2 TRP 30 7.015 7.705 -1.772 133 HZ3 TRP 30 HZ3 TRP 30 4.370 9.771 0.842 134 HH2 TRP 30 HH2 TRP 30 5.857 9.754 -1.087 135 H LEU 31 HN LEU 31 3.878 4.059 5.844 136 HA LEU 31 HA LEU 31 1.555 5.630 6.125 137 HB2 LEU 31 HB2 LEU 31 1.012 3.813 7.301 138 HB3 LEU 31 HB1 LEU 31 2.688 3.292 7.313 139 HG LEU 31 HG LEU 31 2.939 4.926 9.323 140 HD11 LEU 31 HD11 LEU 31 0.920 5.175 10.656 141 HD12 LEU 31 HD12 LEU 31 -0.033 4.441 9.370 142 HD13 LEU 31 HD13 LEU 31 0.762 5.993 9.103 143 HD21 LEU 31 HD21 LEU 31 2.384 3.156 10.855 144 HD22 LEU 31 HD22 LEU 31 3.115 2.469 9.404 145 HD23 LEU 31 HD23 LEU 31 1.371 2.378 9.642 146 H PHE 32 HN PHE 32 4.695 5.692 7.739 147 HA PHE 32 HA PHE 32 3.926 7.812 9.535 148 HB2 PHE 32 HB2 PHE 32 6.663 6.680 8.911 149 HB3 PHE 32 HB1 PHE 32 6.289 7.783 10.228 150 HD1 PHE 32 HD1 PHE 32 6.666 4.414 9.300 151 HD2 PHE 32 HD2 PHE 32 4.476 6.959 11.911 152 HE1 PHE 32 HE1 PHE 32 6.176 2.492 10.753 153 HE2 PHE 32 HE2 PHE 32 3.985 5.042 13.374 154 HZ PHE 32 HZ PHE 32 4.835 2.806 12.795 155 H GLU 33 HN GLU 33 4.451 7.776 6.332 156 HA GLU 33 HA GLU 33 5.952 10.294 6.288 157 HB2 GLU 33 HB2 GLU 33 6.787 8.423 4.878 158 HB3 GLU 33 HB1 GLU 33 5.274 8.465 3.981 159 HG2 GLU 33 HG2 GLU 33 6.845 9.649 2.690 160 HG3 GLU 33 HG1 GLU 33 5.794 10.859 3.425 161 H LEU 34 HN LEU 34 3.083 8.797 4.718 162 HA LEU 34 HA LEU 34 2.141 11.551 4.233 163 HB2 LEU 34 HB2 LEU 34 2.299 9.225 2.570 164 HB3 LEU 34 HB1 LEU 34 0.628 9.727 2.709 165 HG LEU 34 HG LEU 34 1.822 10.683 0.740 166 HD11 LEU 34 HD11 LEU 34 -0.153 11.773 1.666 167 HD12 LEU 34 HD12 LEU 34 0.994 12.952 1.033 168 HD13 LEU 34 HD13 LEU 34 0.866 12.691 2.772 169 HD21 LEU 34 HD21 LEU 34 3.565 12.200 0.934 170 HD22 LEU 34 HD22 LEU 34 3.976 10.980 2.143 171 HD23 LEU 34 HD23 LEU 34 3.244 12.503 2.639 172 H ASN 35 HN ASN 35 1.203 8.396 5.435 173 HA ASN 35 HA ASN 35 -0.352 8.970 7.487 174 HB2 ASN 35 HB2 ASN 35 -2.666 9.186 6.869 175 HB3 ASN 35 HB1 ASN 35 -1.765 10.452 6.065 176 HD21 ASN 35 HD21 ASN 35 -0.740 8.643 4.012 177 HD22 ASN 35 HD22 ASN 35 -2.077 8.387 2.958 178 H ALA 36 HN ALA 36 -2.099 7.290 7.964 179 HA ALA 36 HA ALA 36 -0.884 4.770 7.554 180 HB1 ALA 36 HB1 ALA 36 -3.614 5.374 8.670 181 HB2 ALA 36 HB2 ALA 36 -2.113 5.348 9.592 182 HB3 ALA 36 HB3 ALA 36 -2.718 3.867 8.853 183 H LYS 37 HN LYS 37 -3.431 6.465 5.915 184 HA LYS 37 HA LYS 37 -4.798 4.389 4.700 185 HB2 LYS 37 HB2 LYS 37 -4.140 7.138 3.655 186 HB3 LYS 37 HB1 LYS 37 -5.190 6.019 2.802 187 HG2 LYS 37 HG2 LYS 37 -5.704 6.894 5.628 188 HG3 LYS 37 HG1 LYS 37 -6.330 7.756 4.221 189 HD2 LYS 37 HD2 LYS 37 -7.540 5.793 3.510 190 HD3 LYS 37 HD1 LYS 37 -6.834 4.842 4.815 191 HE2 LYS 37 HE2 LYS 37 -9.172 5.615 5.236 192 HE3 LYS 37 HE1 LYS 37 -8.008 6.097 6.467 193 HZ1 LYS 37 HZ1 LYS 37 -9.007 7.826 4.267 194 HZ2 LYS 37 HZ2 LYS 37 -7.903 8.286 5.460 195 HZ3 LYS 37 HZ3 LYS 37 -9.492 7.907 5.884 196 H GLN 38 HN GLN 38 -1.887 6.069 3.437 197 HA GLN 38 HA GLN 38 -1.766 4.526 1.087 198 HB2 GLN 38 HB2 GLN 38 0.386 6.082 2.515 199 HB3 GLN 38 HB1 GLN 38 0.574 5.389 0.906 200 HG2 GLN 38 HG2 GLN 38 -1.504 7.422 1.686 201 HG3 GLN 38 HG1 GLN 38 -0.004 7.770 0.831 202 HE21 GLN 38 HE21 GLN 38 -1.303 8.642 -0.871 203 HE22 GLN 38 HE22 GLN 38 -2.088 7.598 -2.003 204 H ARG 39 HN ARG 39 -0.688 3.841 4.316 205 HA ARG 39 HA ARG 39 0.897 1.573 3.600 206 HB2 ARG 39 HB2 ARG 39 1.155 2.515 5.815 207 HB3 ARG 39 HB1 ARG 39 -0.545 2.235 6.176 208 HG2 ARG 39 HG2 ARG 39 -0.041 -0.241 5.813 209 HG3 ARG 39 HG1 ARG 39 1.660 0.218 5.887 210 HD2 ARG 39 HD2 ARG 39 1.279 1.194 8.110 211 HD3 ARG 39 HD1 ARG 39 -0.407 0.691 8.028 212 HE ARG 39 HE ARG 39 1.895 -1.143 8.175 213 HH11 ARG 39 HH11 ARG 39 -1.484 -0.407 8.729 214 HH12 ARG 39 HH12 ARG 39 -1.805 -1.907 9.535 215 HH21 ARG 39 HH21 ARG 39 1.473 -3.112 9.258 216 HH22 ARG 39 HH22 ARG 39 -0.126 -3.441 9.842 217 H GLU 40 HN GLU 40 -2.457 1.927 4.759 218 HA GLU 40 HA GLU 40 -2.859 -0.904 4.615 219 HB2 GLU 40 HB2 GLU 40 -5.177 -0.394 5.305 220 HB3 GLU 40 HB1 GLU 40 -3.950 0.278 6.364 221 HG2 GLU 40 HG2 GLU 40 -4.250 2.455 5.156 222 HG3 GLU 40 HG1 GLU 40 -5.645 1.730 4.357 223 H VAL 41 HN VAL 41 -3.813 1.791 2.498 224 HA VAL 41 HA VAL 41 -5.833 0.470 1.124 225 HB VAL 41 HB VAL 41 -5.442 2.053 -0.724 226 HG11 VAL 41 HG11 VAL 41 -6.047 4.034 0.507 227 HG12 VAL 41 HG12 VAL 41 -5.406 3.335 1.994 228 HG13 VAL 41 HG13 VAL 41 -6.824 2.621 1.225 229 HG21 VAL 41 HG21 VAL 41 -3.119 2.983 0.950 230 HG22 VAL 41 HG22 VAL 41 -3.755 3.816 -0.468 231 HG23 VAL 41 HG23 VAL 41 -3.021 2.221 -0.637 232 H LEU 42 HN LEU 42 -2.344 0.561 0.304 233 HA LEU 42 HA LEU 42 -2.560 -1.013 -2.025 234 HB2 LEU 42 HB2 LEU 42 -0.238 -1.154 -0.126 235 HB3 LEU 42 HB1 LEU 42 -0.232 -1.465 -1.842 236 HG LEU 42 HG LEU 42 -0.382 1.201 -0.460 237 HD11 LEU 42 HD11 LEU 42 1.547 0.317 -2.563 238 HD12 LEU 42 HD12 LEU 42 1.779 -0.165 -0.886 239 HD13 LEU 42 HD13 LEU 42 1.742 1.547 -1.313 240 HD21 LEU 42 HD21 LEU 42 -1.924 1.250 -2.342 241 HD22 LEU 42 HD22 LEU 42 -0.679 0.585 -3.399 242 HD23 LEU 42 HD23 LEU 42 -0.477 2.192 -2.701 243 H ALA 43 HN ALA 43 -1.828 -1.838 1.324 244 HA ALA 43 HA ALA 43 -1.331 -4.558 0.916 245 HB1 ALA 43 HB1 ALA 43 -0.601 -3.397 2.918 246 HB2 ALA 43 HB2 ALA 43 -1.619 -4.769 3.349 247 HB3 ALA 43 HB3 ALA 43 -2.277 -3.133 3.401 248 H ARG 44 HN ARG 44 -4.306 -2.790 1.447 249 HA ARG 44 HA ARG 44 -5.803 -5.177 2.017 250 HB2 ARG 44 HB2 ARG 44 -6.255 -2.924 3.009 251 HB3 ARG 44 HB1 ARG 44 -6.834 -2.408 1.433 252 HG2 ARG 44 HG2 ARG 44 -8.672 -3.829 1.515 253 HG3 ARG 44 HG1 ARG 44 -7.981 -4.796 2.817 254 HD2 ARG 44 HD2 ARG 44 -8.744 -1.900 3.107 255 HD3 ARG 44 HD1 ARG 44 -9.819 -3.236 3.500 256 HE ARG 44 HE ARG 44 -7.640 -2.258 5.073 257 HH11 ARG 44 HH11 ARG 44 -9.434 -5.168 4.287 258 HH12 ARG 44 HH12 ARG 44 -9.107 -5.930 5.810 259 HH21 ARG 44 HH21 ARG 44 -7.207 -3.282 7.077 260 HH22 ARG 44 HH22 ARG 44 -7.841 -4.870 7.381 261 H ARG 45 HN ARG 45 -5.232 -3.130 -0.802 262 HA ARG 45 HA ARG 45 -7.209 -4.601 -2.319 263 HB2 ARG 45 HB2 ARG 45 -5.461 -2.265 -2.836 264 HB3 ARG 45 HB1 ARG 45 -5.969 -3.213 -4.229 265 HG2 ARG 45 HG2 ARG 45 -7.850 -2.047 -2.186 266 HG3 ARG 45 HG1 ARG 45 -7.452 -1.292 -3.733 267 HD2 ARG 45 HD2 ARG 45 -8.756 -3.999 -3.355 268 HD3 ARG 45 HD1 ARG 45 -9.559 -2.515 -3.867 269 HE ARG 45 HE ARG 45 -8.106 -2.580 -5.873 270 HH11 ARG 45 HH11 ARG 45 -8.835 -5.550 -4.153 271 HH12 ARG 45 HH12 ARG 45 -8.436 -6.564 -5.498 272 HH21 ARG 45 HH21 ARG 45 -7.617 -3.930 -7.639 273 HH22 ARG 45 HH22 ARG 45 -7.748 -5.650 -7.478 274 H PHE 46 HN PHE 46 -3.811 -4.852 -1.702 275 HA PHE 46 HA PHE 46 -3.550 -6.729 -3.935 276 HB2 PHE 46 HB2 PHE 46 -1.377 -5.671 -2.116 277 HB3 PHE 46 HB1 PHE 46 -1.136 -6.649 -3.557 278 HD1 PHE 46 HD1 PHE 46 -0.227 -3.706 -2.632 279 HD2 PHE 46 HD2 PHE 46 -3.040 -5.309 -5.392 280 HE1 PHE 46 HE1 PHE 46 -0.066 -1.660 -3.983 281 HE2 PHE 46 HE2 PHE 46 -2.892 -3.271 -6.745 282 HZ PHE 46 HZ PHE 46 -1.306 -1.419 -6.004 283 H GLY 47 HN GLY 47 -3.734 -6.617 -0.488 284 HA2 GLY 47 HA2 GLY 47 -4.237 -8.454 0.884 285 HA3 GLY 47 HA1 GLY 47 -3.708 -9.532 -0.401 286 H LEU 48 HN LEU 48 -1.912 -6.800 0.896 287 HA LEU 48 HA LEU 48 0.325 -8.638 1.400 288 HB2 LEU 48 HB2 LEU 48 0.377 -5.631 1.199 289 HB3 LEU 48 HB1 LEU 48 1.757 -6.706 1.215 290 HG LEU 48 HG LEU 48 -0.304 -6.635 -0.978 291 HD11 LEU 48 HD11 LEU 48 0.911 -4.527 -0.869 292 HD12 LEU 48 HD12 LEU 48 1.388 -5.462 -2.287 293 HD13 LEU 48 HD13 LEU 48 2.443 -5.403 -0.876 294 HD21 LEU 48 HD21 LEU 48 1.350 -7.929 -2.226 295 HD22 LEU 48 HD22 LEU 48 0.849 -8.774 -0.761 296 HD23 LEU 48 HD23 LEU 48 2.405 -7.946 -0.813 297 H LEU 49 HN LEU 49 1.674 -8.288 3.268 298 HA LEU 49 HA LEU 49 2.142 -7.899 5.454 299 HB2 LEU 49 HB2 LEU 49 1.357 -5.479 4.428 300 HB3 LEU 49 HB1 LEU 49 0.281 -5.653 5.798 301 HG LEU 49 HG LEU 49 2.212 -4.380 6.449 302 HD11 LEU 49 HD11 LEU 49 3.052 -5.731 8.316 303 HD12 LEU 49 HD12 LEU 49 2.315 -7.161 7.594 304 HD13 LEU 49 HD13 LEU 49 1.300 -5.830 8.149 305 HD21 LEU 49 HD21 LEU 49 3.788 -5.143 4.777 306 HD22 LEU 49 HD22 LEU 49 3.847 -6.738 5.527 307 HD23 LEU 49 HD23 LEU 49 4.474 -5.333 6.390 308 H GLY 50 HN GLY 50 0.008 -9.688 4.793 309 HA2 GLY 50 HA2 GLY 50 -1.355 -11.026 6.100 310 HA3 GLY 50 HA1 GLY 50 -1.166 -9.878 7.415 311 H TYR 51 HN TYR 51 -2.052 -8.098 4.789 312 HA TYR 51 HA TYR 51 -4.749 -7.790 5.690 313 HB2 TYR 51 HB2 TYR 51 -3.170 -6.665 3.408 314 HB3 TYR 51 HB1 TYR 51 -4.907 -6.427 3.490 315 HD1 TYR 51 HD1 TYR 51 -5.541 -4.351 4.309 316 HD2 TYR 51 HD2 TYR 51 -2.039 -6.201 5.853 317 HE1 TYR 51 HE1 TYR 51 -5.197 -2.433 5.818 318 HE2 TYR 51 HE2 TYR 51 -1.683 -4.293 7.347 319 HH TYR 51 HH TYR 51 -2.281 -1.939 7.499 320 H GLU 52 HN GLU 52 -6.539 -7.802 4.006 321 HA GLU 52 HA GLU 52 -6.386 -10.298 2.454 322 HB2 GLU 52 HB2 GLU 52 -8.875 -10.393 2.752 323 HB3 GLU 52 HB1 GLU 52 -7.954 -10.585 4.235 324 HG2 GLU 52 HG2 GLU 52 -8.395 -8.228 4.786 325 HG3 GLU 52 HG1 GLU 52 -9.368 -8.084 3.321 326 H ALA 53 HN ALA 53 -6.529 -10.093 0.323 327 HA ALA 53 HA ALA 53 -7.070 -7.512 -0.845 328 HB1 ALA 53 HB1 ALA 53 -6.468 -10.156 -2.163 329 HB2 ALA 53 HB2 ALA 53 -5.289 -8.915 -1.744 330 HB3 ALA 53 HB3 ALA 53 -6.516 -8.590 -2.968 331 H ALA 54 HN ALA 54 -8.999 -6.831 -1.436 332 HA ALA 54 HA ALA 54 -11.080 -8.790 -2.114 333 HB1 ALA 54 HB1 ALA 54 -11.540 -6.535 -0.182 334 HB2 ALA 54 HB2 ALA 54 -11.190 -8.193 0.311 335 HB3 ALA 54 HB3 ALA 54 -12.654 -7.836 -0.606 336 H THR 55 HN THR 55 -13.243 -7.148 -2.484 337 HA THR 55 HA THR 55 -12.473 -5.770 -4.879 338 HB THR 55 HB THR 55 -14.836 -5.373 -5.221 339 HG1 THR 55 HG1 THR 55 -15.582 -6.643 -2.824 340 HG21 THR 55 HG21 THR 55 -15.719 -7.660 -5.169 341 HG22 THR 55 HG22 THR 55 -14.407 -8.142 -4.095 342 HG23 THR 55 HG23 THR 55 -14.052 -7.628 -5.744 343 H LEU 56 HN LEU 56 -13.565 -3.502 -5.159 344 HA LEU 56 HA LEU 56 -12.341 -1.763 -3.330 345 HB2 LEU 56 HB2 LEU 56 -14.579 -1.236 -5.264 346 HB3 LEU 56 HB1 LEU 56 -13.609 0.000 -4.482 347 HG LEU 56 HG LEU 56 -12.835 -1.900 -6.655 348 HD11 LEU 56 HD11 LEU 56 -13.678 0.252 -7.332 349 HD12 LEU 56 HD12 LEU 56 -11.944 0.167 -7.651 350 HD13 LEU 56 HD13 LEU 56 -12.542 1.075 -6.258 351 HD21 LEU 56 HD21 LEU 56 -11.037 -0.590 -4.646 352 HD22 LEU 56 HD22 LEU 56 -10.480 -1.001 -6.267 353 HD23 LEU 56 HD23 LEU 56 -11.057 -2.269 -5.187 354 H GLU 57 HN GLU 57 -15.585 -3.035 -3.585 355 HA GLU 57 HA GLU 57 -16.784 -1.424 -1.599 356 HB2 GLU 57 HB2 GLU 57 -17.461 -3.968 -2.991 357 HB3 GLU 57 HB1 GLU 57 -18.339 -3.575 -1.521 358 HG2 GLU 57 HG2 GLU 57 -19.014 -1.438 -2.501 359 HG3 GLU 57 HG1 GLU 57 -18.130 -1.841 -3.972 360 H ASP 58 HN ASP 58 -15.461 -4.728 -1.492 361 HA ASP 58 HA ASP 58 -16.045 -5.187 1.219 362 HB2 ASP 58 HB2 ASP 58 -13.955 -6.399 -0.586 363 HB3 ASP 58 HB1 ASP 58 -14.248 -6.959 1.056 364 H VAL 59 HN VAL 59 -13.048 -4.073 -0.342 365 HA VAL 59 HA VAL 59 -11.552 -3.911 2.048 366 HB VAL 59 HB VAL 59 -9.949 -2.548 0.805 367 HG11 VAL 59 HG11 VAL 59 -10.005 -5.005 0.518 368 HG12 VAL 59 HG12 VAL 59 -9.358 -4.149 -0.883 369 HG13 VAL 59 HG13 VAL 59 -11.005 -4.777 -0.918 370 HG21 VAL 59 HG21 VAL 59 -11.529 -1.155 -0.434 371 HG22 VAL 59 HG22 VAL 59 -11.992 -2.549 -1.409 372 HG23 VAL 59 HG23 VAL 59 -10.351 -1.907 -1.511 373 H GLY 60 HN GLY 60 -13.621 -1.598 0.381 374 HA2 GLY 60 HA2 GLY 60 -12.949 0.683 1.900 375 HA3 GLY 60 HA1 GLY 60 -14.468 0.428 1.047 376 H ARG 61 HN ARG 61 -15.462 -1.772 2.307 377 HA ARG 61 HA ARG 61 -16.633 -0.636 4.589 378 HB2 ARG 61 HB2 ARG 61 -16.579 -3.505 3.654 379 HB3 ARG 61 HB1 ARG 61 -17.598 -2.906 4.956 380 HG2 ARG 61 HG2 ARG 61 -18.753 -1.437 3.414 381 HG3 ARG 61 HG1 ARG 61 -17.691 -1.954 2.103 382 HD2 ARG 61 HD2 ARG 61 -19.822 -3.111 1.980 383 HD3 ARG 61 HD1 ARG 61 -18.522 -4.243 2.343 384 HE ARG 61 HE ARG 61 -19.969 -3.201 4.630 385 HH11 ARG 61 HH11 ARG 61 -19.634 -5.783 2.290 386 HH12 ARG 61 HH12 ARG 61 -20.458 -6.949 3.271 387 HH21 ARG 61 HH21 ARG 61 -21.056 -4.736 5.921 388 HH22 ARG 61 HH22 ARG 61 -21.266 -6.357 5.339 389 H GLU 62 HN GLU 62 -13.958 -2.876 4.183 390 HA GLU 62 HA GLU 62 -13.715 -3.779 6.815 391 HB2 GLU 62 HB2 GLU 62 -11.647 -3.414 4.657 392 HB3 GLU 62 HB1 GLU 62 -11.295 -4.169 6.204 393 HG2 GLU 62 HG2 GLU 62 -13.273 -5.134 4.154 394 HG3 GLU 62 HG1 GLU 62 -11.700 -5.842 4.514 395 H ILE 63 HN ILE 63 -12.680 -0.758 5.360 396 HA ILE 63 HA ILE 63 -11.327 -0.078 7.882 397 HB ILE 63 HB ILE 63 -10.072 1.590 6.742 398 HG12 ILE 63 HG12 ILE 63 -11.604 0.946 4.215 399 HG13 ILE 63 HG11 ILE 63 -11.923 2.353 5.228 400 HG21 ILE 63 HG21 ILE 63 -10.205 -0.902 5.051 401 HG22 ILE 63 HG22 ILE 63 -9.260 -0.694 6.525 402 HG23 ILE 63 HG23 ILE 63 -8.866 0.248 5.087 403 HD11 ILE 63 HD11 ILE 63 -9.675 3.180 4.808 404 HD12 ILE 63 HD12 ILE 63 -10.543 2.915 3.295 405 HD13 ILE 63 HD13 ILE 63 -9.323 1.757 3.827 406 H GLY 64 HN GLY 64 -14.217 0.355 6.337 407 HA2 GLY 64 HA2 GLY 64 -16.036 1.543 7.174 408 HA3 GLY 64 HA1 GLY 64 -14.940 2.435 8.216 409 H LEU 65 HN LEU 65 -14.206 2.218 4.854 410 HA LEU 65 HA LEU 65 -15.109 4.996 4.519 411 HB2 LEU 65 HB2 LEU 65 -12.497 3.734 3.857 412 HB3 LEU 65 HB1 LEU 65 -13.106 4.970 2.782 413 HG LEU 65 HG LEU 65 -11.610 6.024 4.297 414 HD11 LEU 65 HD11 LEU 65 -14.399 6.611 5.263 415 HD12 LEU 65 HD12 LEU 65 -13.690 7.235 3.774 416 HD13 LEU 65 HD13 LEU 65 -13.003 7.684 5.335 417 HD21 LEU 65 HD21 LEU 65 -11.884 5.936 6.730 418 HD22 LEU 65 HD22 LEU 65 -11.550 4.346 6.044 419 HD23 LEU 65 HD23 LEU 65 -13.191 4.769 6.533 420 H THR 66 HN THR 66 -14.867 5.509 1.994 421 HA THR 66 HA THR 66 -16.778 3.782 0.745 422 HB THR 66 HB THR 66 -15.425 5.927 -0.805 423 HG1 THR 66 HG1 THR 66 -16.210 7.528 0.415 424 HG21 THR 66 HG21 THR 66 -18.320 5.158 -0.407 425 HG22 THR 66 HG22 THR 66 -17.300 4.680 -1.765 426 HG23 THR 66 HG23 THR 66 -17.722 6.376 -1.533 427 H ARG 67 HN ARG 67 -16.477 2.884 -1.407 428 HA ARG 67 HA ARG 67 -14.277 1.231 -1.669 429 HB2 ARG 67 HB2 ARG 67 -15.058 0.929 -4.025 430 HB3 ARG 67 HB1 ARG 67 -16.314 0.731 -2.812 431 HG2 ARG 67 HG2 ARG 67 -17.097 3.009 -3.290 432 HG3 ARG 67 HG1 ARG 67 -15.862 3.154 -4.542 433 HD2 ARG 67 HD2 ARG 67 -16.861 1.214 -5.699 434 HD3 ARG 67 HD1 ARG 67 -18.130 1.167 -4.475 435 HE ARG 67 HE ARG 67 -18.088 3.740 -5.533 436 HH11 ARG 67 HH11 ARG 67 -18.790 0.481 -6.612 437 HH12 ARG 67 HH12 ARG 67 -19.901 0.995 -7.840 438 HH21 ARG 67 HH21 ARG 67 -19.544 4.414 -7.158 439 HH22 ARG 67 HH22 ARG 67 -20.333 3.226 -8.146 440 H GLU 68 HN GLU 68 -14.827 4.425 -3.038 441 HA GLU 68 HA GLU 68 -12.645 4.635 -4.755 442 HB2 GLU 68 HB2 GLU 68 -14.305 6.333 -4.810 443 HB3 GLU 68 HB1 GLU 68 -14.141 6.638 -3.089 444 HG2 GLU 68 HG2 GLU 68 -11.962 7.631 -3.428 445 HG3 GLU 68 HG1 GLU 68 -12.063 7.284 -5.158 446 H ARG 69 HN ARG 69 -12.891 5.235 -1.295 447 HA ARG 69 HA ARG 69 -10.523 6.631 -0.946 448 HB2 ARG 69 HB2 ARG 69 -11.889 4.807 1.031 449 HB3 ARG 69 HB1 ARG 69 -10.691 6.033 1.424 450 HG2 ARG 69 HG2 ARG 69 -13.479 6.450 0.370 451 HG3 ARG 69 HG1 ARG 69 -12.818 6.938 1.934 452 HD2 ARG 69 HD2 ARG 69 -11.238 8.444 0.735 453 HD3 ARG 69 HD1 ARG 69 -12.058 8.033 -0.772 454 HE ARG 69 HE ARG 69 -13.976 8.926 1.052 455 HH11 ARG 69 HH11 ARG 69 -11.266 10.182 -0.779 456 HH12 ARG 69 HH12 ARG 69 -11.895 11.797 -0.830 457 HH21 ARG 69 HH21 ARG 69 -14.806 11.043 0.971 458 HH22 ARG 69 HH22 ARG 69 -13.901 12.289 0.171 459 H VAL 70 HN VAL 70 -11.079 3.120 -0.603 460 HA VAL 70 HA VAL 70 -8.346 2.611 -0.003 461 HB VAL 70 HB VAL 70 -10.307 0.624 -1.134 462 HG11 VAL 70 HG11 VAL 70 -7.956 -0.073 -1.122 463 HG12 VAL 70 HG12 VAL 70 -8.918 -1.015 0.016 464 HG13 VAL 70 HG13 VAL 70 -7.866 0.270 0.606 465 HG21 VAL 70 HG21 VAL 70 -10.836 0.063 1.198 466 HG22 VAL 70 HG22 VAL 70 -11.301 1.716 0.796 467 HG23 VAL 70 HG23 VAL 70 -9.841 1.415 1.740 468 H ARG 71 HN ARG 71 -10.260 2.273 -2.982 469 HA ARG 71 HA ARG 71 -8.130 1.269 -4.548 470 HB2 ARG 71 HB2 ARG 71 -10.278 0.867 -5.380 471 HB3 ARG 71 HB1 ARG 71 -10.773 2.533 -5.194 472 HG2 ARG 71 HG2 ARG 71 -10.546 2.191 -7.501 473 HG3 ARG 71 HG1 ARG 71 -9.107 3.084 -7.021 474 HD2 ARG 71 HD2 ARG 71 -7.851 0.960 -6.958 475 HD3 ARG 71 HD1 ARG 71 -9.295 0.115 -7.522 476 HE ARG 71 HE ARG 71 -8.469 2.298 -9.214 477 HH11 ARG 71 HH11 ARG 71 -8.151 -1.137 -8.582 478 HH12 ARG 71 HH12 ARG 71 -7.552 -1.494 -10.172 479 HH21 ARG 71 HH21 ARG 71 -7.682 1.817 -11.295 480 HH22 ARG 71 HH22 ARG 71 -7.267 0.183 -11.702 481 H GLN 72 HN GLN 72 -9.533 4.548 -4.416 482 HA GLN 72 HA GLN 72 -7.758 5.389 -6.502 483 HB2 GLN 72 HB2 GLN 72 -9.873 6.807 -4.900 484 HB3 GLN 72 HB1 GLN 72 -8.932 7.595 -6.177 485 HG2 GLN 72 HG2 GLN 72 -9.707 5.768 -7.716 486 HG3 GLN 72 HG1 GLN 72 -10.789 5.258 -6.422 487 HE21 GLN 72 HE21 GLN 72 -12.611 5.661 -7.656 488 HE22 GLN 72 HE22 GLN 72 -13.164 7.264 -7.992 489 H ILE 73 HN ILE 73 -8.012 6.035 -3.029 490 HA ILE 73 HA ILE 73 -5.847 7.841 -2.900 491 HB ILE 73 HB ILE 73 -6.873 5.882 -0.852 492 HG12 ILE 73 HG12 ILE 73 -7.034 8.898 -0.979 493 HG13 ILE 73 HG11 ILE 73 -8.288 7.825 -1.587 494 HG21 ILE 73 HG21 ILE 73 -4.751 7.996 -0.476 495 HG22 ILE 73 HG22 ILE 73 -4.519 6.251 -0.363 496 HG23 ILE 73 HG23 ILE 73 -5.525 7.086 0.821 497 HD11 ILE 73 HD11 ILE 73 -8.853 8.683 0.599 498 HD12 ILE 73 HD12 ILE 73 -7.361 8.020 1.269 499 HD13 ILE 73 HD13 ILE 73 -8.615 6.938 0.659 500 H GLN 74 HN GLN 74 -5.931 4.312 -2.867 501 HA GLN 74 HA GLN 74 -3.172 3.828 -2.662 502 HB2 GLN 74 HB2 GLN 74 -4.547 1.943 -2.397 503 HB3 GLN 74 HB1 GLN 74 -5.503 2.334 -3.818 504 HG2 GLN 74 HG2 GLN 74 -2.810 1.851 -4.616 505 HG3 GLN 74 HG1 GLN 74 -3.360 0.532 -3.586 506 HE21 GLN 74 HE21 GLN 74 -6.151 0.936 -4.379 507 HE22 GLN 74 HE22 GLN 74 -6.288 0.288 -5.977 508 H VAL 75 HN VAL 75 -5.273 4.288 -5.470 509 HA VAL 75 HA VAL 75 -3.381 3.827 -7.469 510 HB VAL 75 HB VAL 75 -5.819 5.612 -7.569 511 HG11 VAL 75 HG11 VAL 75 -4.263 6.139 -9.380 512 HG12 VAL 75 HG12 VAL 75 -5.706 5.332 -9.996 513 HG13 VAL 75 HG13 VAL 75 -4.201 4.433 -9.825 514 HG21 VAL 75 HG21 VAL 75 -6.290 3.265 -6.995 515 HG22 VAL 75 HG22 VAL 75 -5.449 2.753 -8.458 516 HG23 VAL 75 HG23 VAL 75 -6.928 3.705 -8.579 517 H GLU 76 HN GLU 76 -4.339 6.925 -5.957 518 HA GLU 76 HA GLU 76 -2.489 8.454 -7.495 519 HB2 GLU 76 HB2 GLU 76 -2.969 10.289 -5.993 520 HB3 GLU 76 HB1 GLU 76 -4.463 9.469 -6.406 521 HG2 GLU 76 HG2 GLU 76 -4.540 8.399 -4.265 522 HG3 GLU 76 HG1 GLU 76 -2.941 9.022 -3.854 523 H GLY 77 HN GLY 77 -2.333 6.692 -4.504 524 HA2 GLY 77 HA2 GLY 77 0.061 7.789 -3.496 525 HA3 GLY 77 HA1 GLY 77 -0.615 6.224 -3.074 526 H LEU 78 HN LEU 78 -0.582 5.270 -5.840 527 HA LEU 78 HA LEU 78 1.801 3.864 -5.790 528 HB2 LEU 78 HB2 LEU 78 0.151 4.537 -8.225 529 HB3 LEU 78 HB1 LEU 78 1.316 3.231 -8.104 530 HG LEU 78 HG LEU 78 -1.239 3.439 -6.509 531 HD11 LEU 78 HD11 LEU 78 -0.519 1.655 -8.827 532 HD12 LEU 78 HD12 LEU 78 -1.639 3.016 -8.879 533 HD13 LEU 78 HD13 LEU 78 -2.016 1.600 -7.897 534 HD21 LEU 78 HD21 LEU 78 -0.730 1.131 -5.848 535 HD22 LEU 78 HD22 LEU 78 0.498 2.266 -5.284 536 HD23 LEU 78 HD23 LEU 78 0.819 1.243 -6.685 537 H ARG 79 HN ARG 79 1.183 7.005 -7.070 538 HA ARG 79 HA ARG 79 3.517 7.130 -8.730 539 HB2 ARG 79 HB2 ARG 79 1.803 9.391 -7.695 540 HB3 ARG 79 HB1 ARG 79 2.885 9.438 -9.081 541 HG2 ARG 79 HG2 ARG 79 1.490 7.971 -10.324 542 HG3 ARG 79 HG1 ARG 79 0.504 7.609 -8.906 543 HD2 ARG 79 HD2 ARG 79 -0.100 10.050 -8.847 544 HD3 ARG 79 HD1 ARG 79 0.685 10.204 -10.419 545 HE ARG 79 HE ARG 79 -0.968 8.389 -11.117 546 HH11 ARG 79 HH11 ARG 79 -1.650 10.803 -8.678 547 HH12 ARG 79 HH12 ARG 79 -3.363 10.765 -8.938 548 HH21 ARG 79 HH21 ARG 79 -3.226 8.340 -11.456 549 HH22 ARG 79 HH22 ARG 79 -4.257 9.376 -10.521 550 H ARG 80 HN ARG 80 2.582 8.614 -5.627 551 HA ARG 80 HA ARG 80 5.145 9.779 -5.205 552 HB2 ARG 80 HB2 ARG 80 4.318 10.303 -2.951 553 HB3 ARG 80 HB1 ARG 80 3.159 10.754 -4.190 554 HG2 ARG 80 HG2 ARG 80 2.123 8.420 -3.679 555 HG3 ARG 80 HG1 ARG 80 3.017 8.574 -2.165 556 HD2 ARG 80 HD2 ARG 80 0.736 9.398 -1.925 557 HD3 ARG 80 HD1 ARG 80 1.904 10.701 -1.720 558 HE ARG 80 HE ARG 80 1.353 11.003 -4.281 559 HH11 ARG 80 HH11 ARG 80 -0.848 10.445 -1.609 560 HH12 ARG 80 HH12 ARG 80 -2.212 11.129 -2.439 561 HH21 ARG 80 HH21 ARG 80 -0.439 11.924 -5.345 562 HH22 ARG 80 HH22 ARG 80 -1.975 11.980 -4.533 563 H LEU 81 HN LEU 81 3.606 6.799 -4.201 564 HA LEU 81 HA LEU 81 5.245 5.948 -2.165 565 HB2 LEU 81 HB2 LEU 81 3.564 4.603 -4.192 566 HB3 LEU 81 HB1 LEU 81 4.715 3.596 -3.340 567 HG LEU 81 HG LEU 81 3.601 3.769 -1.332 568 HD11 LEU 81 HD11 LEU 81 2.379 6.354 -2.290 569 HD12 LEU 81 HD12 LEU 81 3.641 6.172 -1.071 570 HD13 LEU 81 HD13 LEU 81 2.015 5.570 -0.754 571 HD21 LEU 81 HD21 LEU 81 1.223 3.520 -1.744 572 HD22 LEU 81 HD22 LEU 81 2.165 2.683 -2.980 573 HD23 LEU 81 HD23 LEU 81 1.413 4.235 -3.344 574 H ARG 82 HN ARG 82 5.974 5.997 -5.573 575 HA ARG 82 HA ARG 82 8.124 4.176 -5.560 576 HB2 ARG 82 HB2 ARG 82 7.702 6.590 -7.328 577 HB3 ARG 82 HB1 ARG 82 8.838 5.285 -7.636 578 HG2 ARG 82 HG2 ARG 82 6.912 3.717 -7.716 579 HG3 ARG 82 HG1 ARG 82 5.838 5.106 -7.591 580 HD2 ARG 82 HD2 ARG 82 6.869 6.042 -9.634 581 HD3 ARG 82 HD1 ARG 82 7.849 4.584 -9.773 582 HE ARG 82 HE ARG 82 4.915 4.400 -9.772 583 HH11 ARG 82 HH11 ARG 82 7.987 3.948 -11.408 584 HH12 ARG 82 HH12 ARG 82 7.299 3.027 -12.706 585 HH21 ARG 82 HH21 ARG 82 4.015 3.203 -11.486 586 HH22 ARG 82 HH22 ARG 82 5.036 2.606 -12.754 587 H GLU 83 HN GLU 83 7.864 7.497 -4.549 588 HA GLU 83 HA GLU 83 10.521 8.317 -4.873 589 HB2 GLU 83 HB2 GLU 83 8.462 9.230 -2.862 590 HB3 GLU 83 HB1 GLU 83 9.964 10.076 -3.220 591 HG2 GLU 83 HG2 GLU 83 9.237 10.341 -5.557 592 HG3 GLU 83 HG1 GLU 83 7.712 9.556 -5.151 593 H ILE 84 HN ILE 84 8.951 7.072 -1.891 594 HA ILE 84 HA ILE 84 11.324 7.034 -0.383 595 HB ILE 84 HB ILE 84 8.622 5.867 -0.100 596 HG12 ILE 84 HG12 ILE 84 10.356 7.696 1.549 597 HG13 ILE 84 HG11 ILE 84 9.077 8.187 0.443 598 HG21 ILE 84 HG21 ILE 84 9.200 4.852 2.047 599 HG22 ILE 84 HG22 ILE 84 10.905 5.203 1.759 600 HG23 ILE 84 HG23 ILE 84 10.056 4.060 0.721 601 HD11 ILE 84 HD11 ILE 84 8.711 6.534 2.896 602 HD12 ILE 84 HD12 ILE 84 7.452 7.100 1.799 603 HD13 ILE 84 HD13 ILE 84 8.380 8.258 2.751 604 H LEU 85 HN LEU 85 10.002 4.748 -2.677 605 HA LEU 85 HA LEU 85 11.601 2.568 -1.712 606 HB2 LEU 85 HB2 LEU 85 9.961 2.871 -4.222 607 HB3 LEU 85 HB1 LEU 85 10.739 1.381 -3.708 608 HG LEU 85 HG LEU 85 8.550 2.840 -2.216 609 HD11 LEU 85 HD11 LEU 85 7.833 1.697 -4.271 610 HD12 LEU 85 HD12 LEU 85 7.174 0.957 -2.815 611 HD13 LEU 85 HD13 LEU 85 8.526 0.196 -3.658 612 HD21 LEU 85 HD21 LEU 85 10.000 0.266 -1.592 613 HD22 LEU 85 HD22 LEU 85 8.560 0.850 -0.759 614 HD23 LEU 85 HD23 LEU 85 10.063 1.764 -0.662 615 H GLN 86 HN GLN 86 11.660 4.688 -4.568 616 HA GLN 86 HA GLN 86 13.866 3.516 -5.824 617 HB2 GLN 86 HB2 GLN 86 14.072 5.596 -7.088 618 HB3 GLN 86 HB1 GLN 86 12.391 5.104 -6.957 619 HG2 GLN 86 HG2 GLN 86 12.064 6.729 -5.156 620 HG3 GLN 86 HG1 GLN 86 13.744 7.235 -5.323 621 HE21 GLN 86 HE21 GLN 86 10.593 7.246 -6.779 622 HE22 GLN 86 HE22 GLN 86 10.906 8.484 -7.945 623 H THR 87 HN THR 87 13.707 5.736 -3.151 624 HA THR 87 HA THR 87 16.449 6.556 -3.316 625 HB THR 87 HB THR 87 14.422 7.745 -2.144 626 HG1 THR 87 HG1 THR 87 16.580 8.010 -0.463 627 HG21 THR 87 HG21 THR 87 15.506 6.044 0.109 628 HG22 THR 87 HG22 THR 87 13.882 5.954 -0.575 629 HG23 THR 87 HG23 THR 87 14.395 7.403 0.293 630 H GLN 88 HN GLN 88 14.869 3.767 -2.262 631 HA GLN 88 HA GLN 88 17.145 2.985 -0.563 632 HB2 GLN 88 HB2 GLN 88 14.285 2.021 -0.575 633 HB3 GLN 88 HB1 GLN 88 15.563 1.282 0.373 634 HG2 GLN 88 HG2 GLN 88 15.851 3.336 1.628 635 HG3 GLN 88 HG1 GLN 88 14.619 4.125 0.640 636 HE21 GLN 88 HE21 GLN 88 12.468 3.571 0.909 637 HE22 GLN 88 HE22 GLN 88 11.901 2.690 2.286 638 H GLY 89 HN GLY 89 16.104 2.680 -3.615 639 HA2 GLY 89 HA2 GLY 89 16.764 1.222 -5.290 640 HA3 GLY 89 HA1 GLY 89 17.543 0.227 -4.068 641 H LEU 90 HN LEU 90 14.242 1.141 -3.678 642 HA LEU 90 HA LEU 90 13.429 -1.659 -4.085 643 HB2 LEU 90 HB2 LEU 90 11.890 0.443 -2.590 644 HB3 LEU 90 HB1 LEU 90 11.743 -1.298 -2.470 645 HG LEU 90 HG LEU 90 14.182 0.218 -1.544 646 HD11 LEU 90 HD11 LEU 90 11.795 -0.700 0.044 647 HD12 LEU 90 HD12 LEU 90 12.232 0.973 -0.304 648 HD13 LEU 90 HD13 LEU 90 13.281 -0.019 0.707 649 HD21 LEU 90 HD21 LEU 90 14.659 -1.801 -0.310 650 HD22 LEU 90 HD22 LEU 90 14.498 -2.163 -2.029 651 HD23 LEU 90 HD23 LEU 90 13.183 -2.548 -0.917 652 H ASN 91 HN ASN 91 11.246 -1.993 -5.002 653 HA ASN 91 HA ASN 91 10.467 0.197 -6.805 654 HB2 ASN 91 HB2 ASN 91 9.982 -1.515 -8.547 655 HB3 ASN 91 HB1 ASN 91 11.687 -1.438 -8.128 656 HD21 ASN 91 HD21 ASN 91 10.168 -3.576 -9.366 657 HD22 ASN 91 HD22 ASN 91 10.356 -4.962 -8.348 658 H ILE 92 HN ILE 92 8.385 0.689 -6.842 659 HA ILE 92 HA ILE 92 6.588 -0.437 -4.965 660 HB ILE 92 HB ILE 92 6.476 1.914 -5.802 661 HG12 ILE 92 HG12 ILE 92 4.026 0.159 -5.963 662 HG13 ILE 92 HG11 ILE 92 4.635 1.027 -4.557 663 HG21 ILE 92 HG21 ILE 92 5.269 2.348 -7.905 664 HG22 ILE 92 HG22 ILE 92 5.296 0.620 -8.259 665 HG23 ILE 92 HG23 ILE 92 6.806 1.525 -8.172 666 HD11 ILE 92 HD11 ILE 92 2.696 2.110 -5.465 667 HD12 ILE 92 HD12 ILE 92 3.483 2.253 -7.036 668 HD13 ILE 92 HD13 ILE 92 4.116 3.137 -5.648 669 H GLU 93 HN GLU 93 7.246 -1.088 -8.297 670 HA GLU 93 HA GLU 93 4.899 -2.336 -9.108 671 HB2 GLU 93 HB2 GLU 93 7.754 -2.918 -9.895 672 HB3 GLU 93 HB1 GLU 93 6.347 -3.558 -10.732 673 HG2 GLU 93 HG2 GLU 93 5.642 -1.340 -11.342 674 HG3 GLU 93 HG1 GLU 93 6.951 -0.631 -10.399 675 H ALA 94 HN ALA 94 7.181 -3.374 -6.794 676 HA ALA 94 HA ALA 94 6.813 -6.199 -7.172 677 HB1 ALA 94 HB1 ALA 94 8.008 -4.739 -4.824 678 HB2 ALA 94 HB2 ALA 94 8.892 -5.215 -6.273 679 HB3 ALA 94 HB3 ALA 94 8.199 -6.449 -5.216 680 H LEU 95 HN LEU 95 5.068 -3.715 -5.628 681 HA LEU 95 HA LEU 95 3.878 -5.264 -3.538 682 HB2 LEU 95 HB2 LEU 95 3.125 -2.658 -4.817 683 HB3 LEU 95 HB1 LEU 95 2.348 -3.329 -3.390 684 HG LEU 95 HG LEU 95 5.309 -2.870 -3.469 685 HD11 LEU 95 HD11 LEU 95 4.925 -0.720 -2.415 686 HD12 LEU 95 HD12 LEU 95 3.187 -0.917 -2.642 687 HD13 LEU 95 HD13 LEU 95 4.251 -0.778 -4.041 688 HD21 LEU 95 HD21 LEU 95 4.408 -4.299 -1.711 689 HD22 LEU 95 HD22 LEU 95 3.283 -3.024 -1.245 690 HD23 LEU 95 HD23 LEU 95 5.022 -2.785 -1.049 691 H PHE 96 HN PHE 96 3.091 -4.506 -6.861 692 HA PHE 96 HA PHE 96 0.623 -6.067 -6.599 693 HB2 PHE 96 HB2 PHE 96 0.626 -5.023 -9.162 694 HB3 PHE 96 HB1 PHE 96 -0.287 -4.419 -7.788 695 HD1 PHE 96 HD1 PHE 96 0.816 -2.635 -6.336 696 HD2 PHE 96 HD2 PHE 96 2.184 -3.674 -10.229 697 HE1 PHE 96 HE1 PHE 96 1.944 -0.458 -6.514 698 HE2 PHE 96 HE2 PHE 96 3.322 -1.500 -10.412 699 HZ PHE 96 HZ PHE 96 3.201 0.115 -8.553 700 H ARG 97 HN ARG 97 3.715 -6.568 -7.289 701 HA ARG 97 HA ARG 97 3.450 -8.178 -9.666 702 HB2 ARG 97 HB2 ARG 97 5.545 -6.953 -9.089 703 HB3 ARG 97 HB1 ARG 97 5.736 -8.006 -7.698 704 HG2 ARG 97 HG2 ARG 97 7.163 -8.862 -9.358 705 HG3 ARG 97 HG1 ARG 97 5.767 -9.940 -9.327 706 HD2 ARG 97 HD2 ARG 97 4.821 -8.718 -11.251 707 HD3 ARG 97 HD1 ARG 97 6.268 -7.714 -11.301 708 HE ARG 97 HE ARG 97 7.032 -10.410 -11.411 709 HH11 ARG 97 HH11 ARG 97 5.430 -8.011 -13.396 710 HH12 ARG 97 HH12 ARG 97 5.915 -8.744 -14.890 711 HH21 ARG 97 HH21 ARG 97 7.682 -11.367 -13.369 712 HH22 ARG 97 HH22 ARG 97 7.206 -10.649 -14.876 713 H GLU 98 HN GLU 98 1.739 -9.529 -8.882 714 HA GLU 98 HA GLU 98 2.555 -11.522 -6.883 715 HB2 GLU 98 HB2 GLU 98 -0.201 -10.907 -7.969 716 HB3 GLU 98 HB1 GLU 98 0.171 -12.072 -6.708 717 HG2 GLU 98 HG2 GLU 98 0.972 -10.236 -5.274 718 HG3 GLU 98 HG1 GLU 98 0.532 -9.084 -6.537 Start of MODEL 2 1 H1 GLY 13 HT1 GLY 13 19.504 -4.073 1.757 2 H2 GLY 13 HT2 GLY 13 18.212 -3.001 1.927 3 H3 GLY 13 HT3 GLY 13 18.655 -4.004 3.214 4 HA2 GLY 13 HA1 GLY 13 20.769 -2.879 3.424 5 HA3 GLY 13 HA2 GLY 13 20.342 -1.854 2.064 6 HA PRO 14 HA PRO 14 18.447 1.034 4.821 7 HB2 PRO 14 HB2 PRO 14 16.330 1.945 3.411 8 HB3 PRO 14 HB1 PRO 14 17.999 2.315 2.969 9 HG2 PRO 14 HG2 PRO 14 16.163 0.233 1.849 10 HG3 PRO 14 HG1 PRO 14 17.234 1.359 0.991 11 HD2 PRO 14 HD2 PRO 14 17.892 -1.220 1.441 12 HD3 PRO 14 HD1 PRO 14 19.099 0.080 1.384 13 H GLU 15 HN GLU 15 15.665 1.716 4.918 14 HA GLU 15 HA GLU 15 14.735 0.367 7.081 15 HB2 GLU 15 HB2 GLU 15 13.736 2.427 6.175 16 HB3 GLU 15 HB1 GLU 15 13.041 1.505 4.850 17 HG2 GLU 15 HG2 GLU 15 11.283 1.804 6.349 18 HG3 GLU 15 HG1 GLU 15 11.834 0.151 6.635 19 H ASP 16 HN ASP 16 14.198 -0.505 3.721 20 HA ASP 16 HA ASP 16 12.215 -2.425 4.060 21 HB2 ASP 16 HB2 ASP 16 12.715 -1.555 1.891 22 HB3 ASP 16 HB1 ASP 16 14.371 -2.151 1.976 23 H THR 17 HN THR 17 15.603 -3.212 3.295 24 HA THR 17 HA THR 17 16.816 -5.081 3.547 25 HB THR 17 HB THR 17 16.880 -6.004 5.888 26 HG1 THR 17 HG1 THR 17 14.629 -4.646 6.136 27 HG21 THR 17 HG21 THR 17 18.004 -4.018 6.795 28 HG22 THR 17 HG22 THR 17 17.315 -3.058 5.485 29 HG23 THR 17 HG23 THR 17 18.462 -4.347 5.125 30 H THR 18 HN THR 18 13.981 -5.533 2.640 31 HA THR 18 HA THR 18 14.183 -8.380 2.579 32 HB THR 18 HB THR 18 11.559 -7.452 3.721 33 HG1 THR 18 HG1 THR 18 13.974 -7.805 5.077 34 HG21 THR 18 HG21 THR 18 13.011 -10.099 3.790 35 HG22 THR 18 HG22 THR 18 11.740 -9.663 2.647 36 HG23 THR 18 HG23 THR 18 11.374 -9.790 4.368 37 H GLN 19 HN GLN 19 14.394 -7.329 0.407 38 HA GLN 19 HA GLN 19 12.038 -6.229 -0.791 39 HB2 GLN 19 HB2 GLN 19 14.735 -7.009 -1.866 40 HB3 GLN 19 HB1 GLN 19 13.447 -6.395 -2.896 41 HG2 GLN 19 HG2 GLN 19 13.447 -4.301 -1.861 42 HG3 GLN 19 HG1 GLN 19 14.353 -4.899 -0.465 43 HE21 GLN 19 HE21 GLN 19 14.554 -3.976 -3.833 44 HE22 GLN 19 HE22 GLN 19 16.271 -3.764 -3.874 45 H ASP 20 HN ASP 20 10.528 -7.789 -0.504 46 HA ASP 20 HA ASP 20 10.406 -9.830 -2.546 47 HB2 ASP 20 HB2 ASP 20 11.679 -10.842 -0.569 48 HB3 ASP 20 HB1 ASP 20 10.200 -10.661 0.364 49 H ASP 21 HN ASP 21 8.198 -11.209 -1.128 50 HA ASP 21 HA ASP 21 6.025 -9.468 -1.535 51 HB2 ASP 21 HB2 ASP 21 6.249 -11.940 0.208 52 HB3 ASP 21 HB1 ASP 21 4.732 -11.125 -0.157 53 H ASP 22 HN ASP 22 8.233 -9.897 1.023 54 HA ASP 22 HA ASP 22 6.822 -8.604 3.119 55 HB2 ASP 22 HB2 ASP 22 9.716 -9.264 2.672 56 HB3 ASP 22 HB1 ASP 22 9.191 -8.338 4.072 57 H MET 23 HN MET 23 8.417 -7.385 0.330 58 HA MET 23 HA MET 23 9.608 -5.038 1.172 59 HB2 MET 23 HB2 MET 23 9.742 -5.826 -1.129 60 HB3 MET 23 HB1 MET 23 8.036 -5.474 -1.365 61 HG2 MET 23 HG2 MET 23 8.478 -3.094 -1.001 62 HG3 MET 23 HG1 MET 23 10.191 -3.452 -0.782 63 HE1 MET 23 HE1 MET 23 11.121 -4.850 -4.331 64 HE2 MET 23 HE2 MET 23 10.544 -5.770 -2.943 65 HE3 MET 23 HE3 MET 23 11.722 -4.478 -2.716 66 H LYS 24 HN LYS 24 6.255 -5.782 1.030 67 HA LYS 24 HA LYS 24 5.091 -3.270 1.030 68 HB2 LYS 24 HB2 LYS 24 3.863 -5.428 0.940 69 HB3 LYS 24 HB1 LYS 24 4.222 -5.677 2.644 70 HG2 LYS 24 HG2 LYS 24 1.963 -4.837 2.315 71 HG3 LYS 24 HG1 LYS 24 2.955 -3.688 3.216 72 HD2 LYS 24 HD2 LYS 24 3.399 -2.547 0.995 73 HD3 LYS 24 HD1 LYS 24 2.111 -3.556 0.332 74 HE2 LYS 24 HE2 LYS 24 1.385 -1.294 1.033 75 HE3 LYS 24 HE1 LYS 24 0.519 -2.605 1.823 76 HZ1 LYS 24 HZ1 LYS 24 1.081 -0.925 3.415 77 HZ2 LYS 24 HZ2 LYS 24 2.718 -0.990 2.987 78 HZ3 LYS 24 HZ3 LYS 24 1.993 -2.311 3.750 79 H GLN 25 HN GLN 25 7.028 -4.804 3.402 80 HA GLN 25 HA GLN 25 6.250 -3.413 5.725 81 HB2 GLN 25 HB2 GLN 25 7.522 -5.432 5.890 82 HB3 GLN 25 HB1 GLN 25 8.819 -4.768 4.911 83 HG2 GLN 25 HG2 GLN 25 8.357 -3.154 7.255 84 HG3 GLN 25 HG1 GLN 25 8.661 -4.839 7.681 85 HE21 GLN 25 HE21 GLN 25 9.929 -3.239 4.847 86 HE22 GLN 25 HE22 GLN 25 11.592 -3.289 5.317 87 H SER 26 HN SER 26 8.595 -2.598 3.146 88 HA SER 26 HA SER 26 9.588 -0.277 4.460 89 HB2 SER 26 HB2 SER 26 10.627 -1.416 2.436 90 HB3 SER 26 HB1 SER 26 9.379 -0.647 1.470 91 HG SER 26 HG SER 26 11.614 0.412 1.961 92 H ILE 27 HN ILE 27 6.892 -0.961 2.363 93 HA ILE 27 HA ILE 27 5.961 1.678 1.969 94 HB ILE 27 HB ILE 27 4.183 -0.748 2.142 95 HG12 ILE 27 HG12 ILE 27 6.091 -1.324 0.702 96 HG13 ILE 27 HG11 ILE 27 4.607 -1.134 -0.237 97 HG21 ILE 27 HG21 ILE 27 2.834 0.448 0.520 98 HG22 ILE 27 HG22 ILE 27 4.012 1.755 0.472 99 HG23 ILE 27 HG23 ILE 27 3.100 1.443 1.949 100 HD11 ILE 27 HD11 ILE 27 6.589 -0.160 -1.314 101 HD12 ILE 27 HD12 ILE 27 6.727 0.977 0.033 102 HD13 ILE 27 HD13 ILE 27 5.309 1.016 -1.015 103 H VAL 28 HN VAL 28 5.944 -0.374 4.691 104 HA VAL 28 HA VAL 28 3.672 0.685 6.019 105 HB VAL 28 HB VAL 28 6.106 -0.763 7.061 106 HG11 VAL 28 HG11 VAL 28 5.219 0.641 8.843 107 HG12 VAL 28 HG12 VAL 28 4.882 -1.061 9.158 108 HG13 VAL 28 HG13 VAL 28 3.600 -0.003 8.560 109 HG21 VAL 28 HG21 VAL 28 3.248 -1.642 6.651 110 HG22 VAL 28 HG22 VAL 28 4.563 -2.643 7.270 111 HG23 VAL 28 HG23 VAL 28 4.611 -2.051 5.609 112 H LYS 29 HN LYS 29 7.048 1.659 5.772 113 HA LYS 29 HA LYS 29 6.923 3.664 7.758 114 HB2 LYS 29 HB2 LYS 29 9.081 2.895 7.041 115 HB3 LYS 29 HB1 LYS 29 8.732 3.328 5.377 116 HG2 LYS 29 HG2 LYS 29 8.825 5.615 5.834 117 HG3 LYS 29 HG1 LYS 29 8.796 5.343 7.563 118 HD2 LYS 29 HD2 LYS 29 11.019 5.937 6.995 119 HD3 LYS 29 HD1 LYS 29 11.017 4.204 7.329 120 HE2 LYS 29 HE2 LYS 29 11.116 3.672 5.032 121 HE3 LYS 29 HE1 LYS 29 10.743 5.329 4.559 122 HZ1 LYS 29 HZ1 LYS 29 12.858 6.051 5.378 123 HZ2 LYS 29 HZ2 LYS 29 13.115 4.761 4.316 124 HZ3 LYS 29 HZ3 LYS 29 13.218 4.514 5.986 125 H TRP 30 HN TRP 30 5.945 3.494 4.427 126 HA TRP 30 HA TRP 30 5.642 6.205 3.842 127 HB2 TRP 30 HB2 TRP 30 4.685 3.685 2.756 128 HB3 TRP 30 HB1 TRP 30 3.510 4.981 2.561 129 HD1 TRP 30 HD1 TRP 30 6.383 3.495 0.862 130 HE1 TRP 30 HE1 TRP 30 7.318 5.085 -0.926 131 HE3 TRP 30 HE3 TRP 30 3.989 7.789 2.264 132 HZ2 TRP 30 HZ2 TRP 30 7.083 7.807 -1.637 133 HZ3 TRP 30 HZ3 TRP 30 4.401 9.839 0.973 134 HH2 TRP 30 HH2 TRP 30 5.915 9.849 -0.936 135 H LEU 31 HN LEU 31 3.823 4.154 5.946 136 HA LEU 31 HA LEU 31 1.403 5.617 5.992 137 HB2 LEU 31 HB2 LEU 31 0.747 3.942 7.297 138 HB3 LEU 31 HB1 LEU 31 2.351 3.269 7.122 139 HG LEU 31 HG LEU 31 2.939 4.702 9.208 140 HD11 LEU 31 HD11 LEU 31 1.078 5.068 10.735 141 HD12 LEU 31 HD12 LEU 31 -0.057 4.530 9.498 142 HD13 LEU 31 HD13 LEU 31 0.877 6.007 9.255 143 HD21 LEU 31 HD21 LEU 31 2.205 2.882 10.674 144 HD22 LEU 31 HD22 LEU 31 2.906 2.275 9.173 145 HD23 LEU 31 HD23 LEU 31 1.155 2.279 9.391 146 H PHE 32 HN PHE 32 4.420 5.877 7.775 147 HA PHE 32 HA PHE 32 3.412 7.955 9.497 148 HB2 PHE 32 HB2 PHE 32 6.261 7.052 9.017 149 HB3 PHE 32 HB1 PHE 32 5.716 8.100 10.321 150 HD1 PHE 32 HD1 PHE 32 6.311 4.754 9.295 151 HD2 PHE 32 HD2 PHE 32 4.022 7.133 11.977 152 HE1 PHE 32 HE1 PHE 32 5.911 2.773 10.700 153 HE2 PHE 32 HE2 PHE 32 3.617 5.159 13.389 154 HZ PHE 32 HZ PHE 32 4.563 2.975 12.752 155 H GLU 33 HN GLU 33 4.180 7.857 6.320 156 HA GLU 33 HA GLU 33 5.592 10.418 6.270 157 HB2 GLU 33 HB2 GLU 33 6.337 8.331 4.949 158 HB3 GLU 33 HB1 GLU 33 5.000 8.709 3.871 159 HG2 GLU 33 HG2 GLU 33 7.027 9.625 2.980 160 HG3 GLU 33 HG1 GLU 33 5.971 10.940 3.497 161 H LEU 34 HN LEU 34 2.826 8.848 4.585 162 HA LEU 34 HA LEU 34 1.843 11.566 4.020 163 HB2 LEU 34 HB2 LEU 34 2.167 9.288 2.399 164 HB3 LEU 34 HB1 LEU 34 0.440 9.516 2.589 165 HG LEU 34 HG LEU 34 1.388 10.615 0.568 166 HD11 LEU 34 HD11 LEU 34 -0.692 11.414 1.560 167 HD12 LEU 34 HD12 LEU 34 0.242 12.749 0.885 168 HD13 LEU 34 HD13 LEU 34 0.219 12.481 2.629 169 HD21 LEU 34 HD21 LEU 34 2.617 12.618 2.430 170 HD22 LEU 34 HD22 LEU 34 2.876 12.409 0.696 171 HD23 LEU 34 HD23 LEU 34 3.529 11.233 1.837 172 H ASN 35 HN ASN 35 0.930 8.443 5.300 173 HA ASN 35 HA ASN 35 -0.800 9.146 7.234 174 HB2 ASN 35 HB2 ASN 35 -3.081 8.865 6.257 175 HB3 ASN 35 HB1 ASN 35 -2.271 10.324 5.709 176 HD21 ASN 35 HD21 ASN 35 -3.511 10.515 3.888 177 HD22 ASN 35 HD22 ASN 35 -3.367 9.448 2.534 178 H ALA 36 HN ALA 36 -2.366 7.334 7.812 179 HA ALA 36 HA ALA 36 -0.991 4.861 7.545 180 HB1 ALA 36 HB1 ALA 36 -2.738 3.917 8.892 181 HB2 ALA 36 HB2 ALA 36 -3.777 5.309 8.591 182 HB3 ALA 36 HB3 ALA 36 -2.304 5.497 9.543 183 H LYS 37 HN LYS 37 -3.551 6.403 5.833 184 HA LYS 37 HA LYS 37 -4.875 4.314 4.621 185 HB2 LYS 37 HB2 LYS 37 -4.108 6.991 3.453 186 HB3 LYS 37 HB1 LYS 37 -5.252 5.884 2.709 187 HG2 LYS 37 HG2 LYS 37 -5.601 6.980 5.481 188 HG3 LYS 37 HG1 LYS 37 -6.244 7.767 4.040 189 HD2 LYS 37 HD2 LYS 37 -7.613 5.861 3.539 190 HD3 LYS 37 HD1 LYS 37 -6.857 4.922 4.828 191 HE2 LYS 37 HE2 LYS 37 -9.102 5.818 5.409 192 HE3 LYS 37 HE1 LYS 37 -7.821 6.326 6.507 193 HZ1 LYS 37 HZ1 LYS 37 -7.728 8.446 5.362 194 HZ2 LYS 37 HZ2 LYS 37 -9.287 8.154 5.940 195 HZ3 LYS 37 HZ3 LYS 37 -8.946 7.954 4.299 196 H GLN 38 HN GLN 38 -1.918 5.947 3.419 197 HA GLN 38 HA GLN 38 -1.792 4.466 1.047 198 HB2 GLN 38 HB2 GLN 38 0.379 5.921 2.549 199 HB3 GLN 38 HB1 GLN 38 0.577 5.256 0.931 200 HG2 GLN 38 HG2 GLN 38 -1.470 7.324 1.706 201 HG3 GLN 38 HG1 GLN 38 0.069 7.661 0.915 202 HE21 GLN 38 HE21 GLN 38 -1.149 8.610 -0.813 203 HE22 GLN 38 HE22 GLN 38 -1.914 7.609 -1.996 204 H ARG 39 HN ARG 39 -0.589 3.661 4.255 205 HA ARG 39 HA ARG 39 0.970 1.466 3.283 206 HB2 ARG 39 HB2 ARG 39 1.408 0.867 5.508 207 HB3 ARG 39 HB1 ARG 39 1.291 2.616 5.536 208 HG2 ARG 39 HG2 ARG 39 0.033 2.199 7.356 209 HG3 ARG 39 HG1 ARG 39 -1.240 2.006 6.155 210 HD2 ARG 39 HD2 ARG 39 -1.402 0.150 7.620 211 HD3 ARG 39 HD1 ARG 39 -0.683 -0.451 6.127 212 HE ARG 39 HE ARG 39 1.439 0.195 7.743 213 HH11 ARG 39 HH11 ARG 39 -1.334 -1.941 7.985 214 HH12 ARG 39 HH12 ARG 39 -0.530 -3.058 9.047 215 HH21 ARG 39 HH21 ARG 39 2.485 -1.301 9.147 216 HH22 ARG 39 HH22 ARG 39 1.623 -2.698 9.693 217 H GLU 40 HN GLU 40 -2.329 1.797 4.550 218 HA GLU 40 HA GLU 40 -2.704 -1.056 4.510 219 HB2 GLU 40 HB2 GLU 40 -5.023 -0.548 5.206 220 HB3 GLU 40 HB1 GLU 40 -3.790 0.132 6.254 221 HG2 GLU 40 HG2 GLU 40 -4.102 2.306 5.101 222 HG3 GLU 40 HG1 GLU 40 -5.447 1.585 4.215 223 H VAL 41 HN VAL 41 -3.751 1.630 2.424 224 HA VAL 41 HA VAL 41 -5.719 0.332 1.003 225 HB VAL 41 HB VAL 41 -5.242 1.878 -0.856 226 HG11 VAL 41 HG11 VAL 41 -6.631 2.490 1.095 227 HG12 VAL 41 HG12 VAL 41 -5.862 3.866 0.307 228 HG13 VAL 41 HG13 VAL 41 -5.207 3.237 1.819 229 HG21 VAL 41 HG21 VAL 41 -2.930 2.750 0.862 230 HG22 VAL 41 HG22 VAL 41 -3.514 3.603 -0.568 231 HG23 VAL 41 HG23 VAL 41 -2.825 1.987 -0.724 232 H LEU 42 HN LEU 42 -2.225 0.331 0.245 233 HA LEU 42 HA LEU 42 -2.443 -1.257 -2.073 234 HB2 LEU 42 HB2 LEU 42 -0.119 -1.366 -0.169 235 HB3 LEU 42 HB1 LEU 42 -0.110 -1.662 -1.891 236 HG LEU 42 HG LEU 42 -0.396 1.004 -0.518 237 HD11 LEU 42 HD11 LEU 42 1.850 -0.329 -0.872 238 HD12 LEU 42 HD12 LEU 42 1.758 1.411 -1.137 239 HD13 LEU 42 HD13 LEU 42 1.691 0.308 -2.511 240 HD21 LEU 42 HD21 LEU 42 -0.407 1.962 -2.777 241 HD22 LEU 42 HD22 LEU 42 -1.824 0.955 -2.486 242 HD23 LEU 42 HD23 LEU 42 -0.490 0.337 -3.459 243 H ALA 43 HN ALA 43 -1.721 -2.066 1.286 244 HA ALA 43 HA ALA 43 -1.297 -4.804 0.897 245 HB1 ALA 43 HB1 ALA 43 -1.625 -4.982 3.342 246 HB2 ALA 43 HB2 ALA 43 -2.171 -3.305 3.362 247 HB3 ALA 43 HB3 ALA 43 -0.518 -3.691 2.889 248 H ARG 44 HN ARG 44 -4.209 -2.945 1.473 249 HA ARG 44 HA ARG 44 -5.800 -5.231 2.126 250 HB2 ARG 44 HB2 ARG 44 -6.055 -2.769 2.847 251 HB3 ARG 44 HB1 ARG 44 -6.859 -2.551 1.302 252 HG2 ARG 44 HG2 ARG 44 -8.522 -4.168 1.893 253 HG3 ARG 44 HG1 ARG 44 -7.682 -4.533 3.402 254 HD2 ARG 44 HD2 ARG 44 -8.934 -1.905 2.630 255 HD3 ARG 44 HD1 ARG 44 -9.551 -3.050 3.811 256 HE ARG 44 HE ARG 44 -7.436 -1.135 4.179 257 HH11 ARG 44 HH11 ARG 44 -8.719 -4.182 5.330 258 HH12 ARG 44 HH12 ARG 44 -8.192 -3.937 6.962 259 HH21 ARG 44 HH21 ARG 44 -6.748 -0.793 6.332 260 HH22 ARG 44 HH22 ARG 44 -7.055 -2.015 7.528 261 H ARG 45 HN ARG 45 -5.274 -3.241 -0.754 262 HA ARG 45 HA ARG 45 -7.242 -4.713 -2.249 263 HB2 ARG 45 HB2 ARG 45 -5.369 -2.481 -2.829 264 HB3 ARG 45 HB1 ARG 45 -5.977 -3.422 -4.186 265 HG2 ARG 45 HG2 ARG 45 -7.733 -2.113 -2.120 266 HG3 ARG 45 HG1 ARG 45 -7.304 -1.381 -3.669 267 HD2 ARG 45 HD2 ARG 45 -8.802 -3.981 -3.266 268 HD3 ARG 45 HD1 ARG 45 -9.483 -2.445 -3.805 269 HE ARG 45 HE ARG 45 -8.158 -2.653 -5.830 270 HH11 ARG 45 HH11 ARG 45 -8.739 -5.574 -3.983 271 HH12 ARG 45 HH12 ARG 45 -8.252 -6.634 -5.264 272 HH21 ARG 45 HH21 ARG 45 -7.549 -4.065 -7.533 273 HH22 ARG 45 HH22 ARG 45 -7.598 -5.780 -7.283 274 H PHE 46 HN PHE 46 -3.747 -4.899 -1.834 275 HA PHE 46 HA PHE 46 -3.598 -6.820 -4.030 276 HB2 PHE 46 HB2 PHE 46 -1.321 -5.830 -2.303 277 HB3 PHE 46 HB1 PHE 46 -1.192 -6.690 -3.830 278 HD1 PHE 46 HD1 PHE 46 -0.095 -3.929 -2.818 279 HD2 PHE 46 HD2 PHE 46 -3.328 -5.103 -5.323 280 HE1 PHE 46 HE1 PHE 46 0.040 -1.776 -3.980 281 HE2 PHE 46 HE2 PHE 46 -3.210 -2.941 -6.489 282 HZ PHE 46 HZ PHE 46 -1.524 -1.275 -5.819 283 H GLY 47 HN GLY 47 -3.814 -6.772 -0.624 284 HA2 GLY 47 HA2 GLY 47 -4.164 -8.583 0.787 285 HA3 GLY 47 HA1 GLY 47 -3.729 -9.663 -0.528 286 H LEU 48 HN LEU 48 -1.919 -6.967 0.844 287 HA LEU 48 HA LEU 48 0.336 -8.806 1.297 288 HB2 LEU 48 HB2 LEU 48 0.426 -5.800 1.058 289 HB3 LEU 48 HB1 LEU 48 1.791 -6.896 1.081 290 HG LEU 48 HG LEU 48 -0.261 -6.745 -1.124 291 HD11 LEU 48 HD11 LEU 48 1.539 -5.704 -2.422 292 HD12 LEU 48 HD12 LEU 48 2.548 -5.675 -0.975 293 HD13 LEU 48 HD13 LEU 48 1.064 -4.724 -1.034 294 HD21 LEU 48 HD21 LEU 48 0.738 -8.958 -0.910 295 HD22 LEU 48 HD22 LEU 48 2.351 -8.244 -0.927 296 HD23 LEU 48 HD23 LEU 48 1.327 -8.145 -2.360 297 H LEU 49 HN LEU 49 1.751 -8.229 3.164 298 HA LEU 49 HA LEU 49 2.144 -7.757 5.354 299 HB2 LEU 49 HB2 LEU 49 1.159 -5.452 4.252 300 HB3 LEU 49 HB1 LEU 49 0.068 -5.689 5.598 301 HG LEU 49 HG LEU 49 1.920 -4.196 6.164 302 HD11 LEU 49 HD11 LEU 49 0.913 -5.498 7.943 303 HD12 LEU 49 HD12 LEU 49 2.639 -5.275 8.230 304 HD13 LEU 49 HD13 LEU 49 2.038 -6.821 7.631 305 HD21 LEU 49 HD21 LEU 49 3.616 -5.137 4.684 306 HD22 LEU 49 HD22 LEU 49 3.688 -6.589 5.681 307 HD23 LEU 49 HD23 LEU 49 4.200 -5.038 6.345 308 H GLY 50 HN GLY 50 0.042 -9.657 4.589 309 HA2 GLY 50 HA2 GLY 50 -1.198 -11.129 5.879 310 HA3 GLY 50 HA1 GLY 50 -1.055 -10.021 7.234 311 H TYR 51 HN TYR 51 -2.074 -8.192 4.700 312 HA TYR 51 HA TYR 51 -4.727 -7.948 5.725 313 HB2 TYR 51 HB2 TYR 51 -3.307 -6.796 3.345 314 HB3 TYR 51 HB1 TYR 51 -5.027 -6.542 3.584 315 HD1 TYR 51 HD1 TYR 51 -5.500 -4.452 4.342 316 HD2 TYR 51 HD2 TYR 51 -2.019 -6.393 5.825 317 HE1 TYR 51 HE1 TYR 51 -5.055 -2.531 5.794 318 HE2 TYR 51 HE2 TYR 51 -1.559 -4.467 7.279 319 HH TYR 51 HH TYR 51 -3.813 -2.064 7.931 320 H GLU 52 HN GLU 52 -6.617 -7.956 4.163 321 HA GLU 52 HA GLU 52 -6.525 -10.418 2.569 322 HB2 GLU 52 HB2 GLU 52 -8.996 -10.489 2.877 323 HB3 GLU 52 HB1 GLU 52 -8.091 -10.662 4.371 324 HG2 GLU 52 HG2 GLU 52 -8.583 -8.392 4.995 325 HG3 GLU 52 HG1 GLU 52 -9.343 -8.086 3.432 326 H ALA 53 HN ALA 53 -6.407 -10.053 0.472 327 HA ALA 53 HA ALA 53 -7.083 -7.581 -0.747 328 HB1 ALA 53 HB1 ALA 53 -6.676 -10.293 -2.022 329 HB2 ALA 53 HB2 ALA 53 -5.425 -9.084 -1.734 330 HB3 ALA 53 HB3 ALA 53 -6.726 -8.752 -2.875 331 H ALA 54 HN ALA 54 -8.969 -6.866 -1.477 332 HA ALA 54 HA ALA 54 -11.184 -8.717 -1.933 333 HB1 ALA 54 HB1 ALA 54 -11.425 -6.415 -0.008 334 HB2 ALA 54 HB2 ALA 54 -11.227 -8.100 0.474 335 HB3 ALA 54 HB3 ALA 54 -12.668 -7.600 -0.410 336 H THR 55 HN THR 55 -13.269 -6.987 -2.312 337 HA THR 55 HA THR 55 -12.427 -5.635 -4.715 338 HB THR 55 HB THR 55 -14.789 -5.189 -5.092 339 HG1 THR 55 HG1 THR 55 -15.629 -6.568 -2.808 340 HG21 THR 55 HG21 THR 55 -13.978 -7.414 -5.697 341 HG22 THR 55 HG22 THR 55 -15.657 -7.479 -5.165 342 HG23 THR 55 HG23 THR 55 -14.368 -8.003 -4.082 343 H LEU 56 HN LEU 56 -13.465 -3.359 -5.033 344 HA LEU 56 HA LEU 56 -12.266 -1.616 -3.199 345 HB2 LEU 56 HB2 LEU 56 -14.511 -1.071 -5.128 346 HB3 LEU 56 HB1 LEU 56 -13.522 0.155 -4.355 347 HG LEU 56 HG LEU 56 -12.777 -1.770 -6.521 348 HD11 LEU 56 HD11 LEU 56 -12.535 1.208 -6.165 349 HD12 LEU 56 HD12 LEU 56 -13.620 0.341 -7.255 350 HD13 LEU 56 HD13 LEU 56 -11.878 0.303 -7.528 351 HD21 LEU 56 HD21 LEU 56 -10.953 -0.423 -4.562 352 HD22 LEU 56 HD22 LEU 56 -10.420 -0.874 -6.181 353 HD23 LEU 56 HD23 LEU 56 -10.984 -2.113 -5.062 354 H GLU 57 HN GLU 57 -15.572 -2.731 -3.567 355 HA GLU 57 HA GLU 57 -16.786 -1.216 -1.560 356 HB2 GLU 57 HB2 GLU 57 -17.362 -3.846 -2.855 357 HB3 GLU 57 HB1 GLU 57 -18.314 -3.343 -1.470 358 HG2 GLU 57 HG2 GLU 57 -18.933 -1.291 -2.656 359 HG3 GLU 57 HG1 GLU 57 -17.987 -1.822 -4.045 360 H ASP 58 HN ASP 58 -15.371 -4.474 -1.407 361 HA ASP 58 HA ASP 58 -16.046 -4.881 1.306 362 HB2 ASP 58 HB2 ASP 58 -14.083 -6.253 -0.514 363 HB3 ASP 58 HB1 ASP 58 -14.339 -6.759 1.152 364 H VAL 59 HN VAL 59 -13.029 -3.835 -0.251 365 HA VAL 59 HA VAL 59 -11.532 -3.801 2.159 366 HB VAL 59 HB VAL 59 -9.870 -2.465 0.939 367 HG11 VAL 59 HG11 VAL 59 -9.277 -4.110 -0.693 368 HG12 VAL 59 HG12 VAL 59 -10.938 -4.688 -0.779 369 HG13 VAL 59 HG13 VAL 59 -9.996 -4.932 0.694 370 HG21 VAL 59 HG21 VAL 59 -10.230 -1.865 -1.400 371 HG22 VAL 59 HG22 VAL 59 -11.394 -1.058 -0.346 372 HG23 VAL 59 HG23 VAL 59 -11.888 -2.458 -1.297 373 H GLY 60 HN GLY 60 -13.509 -1.394 0.518 374 HA2 GLY 60 HA2 GLY 60 -12.805 0.802 2.172 375 HA3 GLY 60 HA1 GLY 60 -14.289 0.649 1.233 376 H ARG 61 HN ARG 61 -15.255 -1.720 2.415 377 HA ARG 61 HA ARG 61 -16.568 -0.696 4.681 378 HB2 ARG 61 HB2 ARG 61 -16.326 -3.537 3.694 379 HB3 ARG 61 HB1 ARG 61 -17.391 -3.032 4.997 380 HG2 ARG 61 HG2 ARG 61 -18.577 -1.554 3.445 381 HG3 ARG 61 HG1 ARG 61 -17.518 -2.092 2.145 382 HD2 ARG 61 HD2 ARG 61 -19.618 -3.292 2.046 383 HD3 ARG 61 HD1 ARG 61 -18.314 -4.396 2.478 384 HE ARG 61 HE ARG 61 -19.615 -3.334 4.784 385 HH11 ARG 61 HH11 ARG 61 -19.930 -5.742 2.258 386 HH12 ARG 61 HH12 ARG 61 -20.926 -6.793 3.211 387 HH21 ARG 61 HH21 ARG 61 -20.917 -4.706 6.041 388 HH22 ARG 61 HH22 ARG 61 -21.493 -6.202 5.372 389 H GLU 62 HN GLU 62 -13.687 -2.613 4.283 390 HA GLU 62 HA GLU 62 -13.425 -3.609 6.891 391 HB2 GLU 62 HB2 GLU 62 -11.406 -2.989 4.750 392 HB3 GLU 62 HB1 GLU 62 -10.938 -3.664 6.303 393 HG2 GLU 62 HG2 GLU 62 -12.794 -4.916 4.294 394 HG3 GLU 62 HG1 GLU 62 -11.136 -5.408 4.648 395 H ILE 63 HN ILE 63 -12.801 -0.446 5.578 396 HA ILE 63 HA ILE 63 -11.585 0.302 8.152 397 HB ILE 63 HB ILE 63 -10.339 2.048 7.060 398 HG12 ILE 63 HG12 ILE 63 -11.590 1.093 4.470 399 HG13 ILE 63 HG11 ILE 63 -11.953 2.618 5.274 400 HG21 ILE 63 HG21 ILE 63 -9.369 -0.180 7.144 401 HG22 ILE 63 HG22 ILE 63 -8.859 0.671 5.685 402 HG23 ILE 63 HG23 ILE 63 -10.110 -0.571 5.591 403 HD11 ILE 63 HD11 ILE 63 -9.259 1.821 4.170 404 HD12 ILE 63 HD12 ILE 63 -9.657 3.360 4.933 405 HD13 ILE 63 HD13 ILE 63 -10.409 2.917 3.401 406 H GLY 64 HN GLY 64 -14.333 0.608 6.331 407 HA2 GLY 64 HA2 GLY 64 -16.262 1.764 6.911 408 HA3 GLY 64 HA1 GLY 64 -15.329 2.637 8.116 409 H LEU 65 HN LEU 65 -14.276 2.470 4.823 410 HA LEU 65 HA LEU 65 -15.049 5.287 4.485 411 HB2 LEU 65 HB2 LEU 65 -12.487 3.890 3.935 412 HB3 LEU 65 HB1 LEU 65 -12.975 5.147 2.822 413 HG LEU 65 HG LEU 65 -11.492 6.126 4.405 414 HD11 LEU 65 HD11 LEU 65 -14.276 6.897 5.251 415 HD12 LEU 65 HD12 LEU 65 -13.502 7.428 3.761 416 HD13 LEU 65 HD13 LEU 65 -12.820 7.891 5.321 417 HD21 LEU 65 HD21 LEU 65 -11.932 6.089 6.827 418 HD22 LEU 65 HD22 LEU 65 -11.612 4.484 6.171 419 HD23 LEU 65 HD23 LEU 65 -13.266 4.969 6.550 420 H THR 66 HN THR 66 -14.775 5.856 2.010 421 HA THR 66 HA THR 66 -16.728 4.305 0.649 422 HB THR 66 HB THR 66 -15.097 6.137 -0.973 423 HG1 THR 66 HG1 THR 66 -16.728 7.370 0.971 424 HG21 THR 66 HG21 THR 66 -17.301 7.029 -1.558 425 HG22 THR 66 HG22 THR 66 -18.042 6.026 -0.312 426 HG23 THR 66 HG23 THR 66 -17.266 5.273 -1.705 427 H ARG 67 HN ARG 67 -16.428 3.216 -1.388 428 HA ARG 67 HA ARG 67 -14.232 1.480 -1.475 429 HB2 ARG 67 HB2 ARG 67 -15.126 0.672 -3.538 430 HB3 ARG 67 HB1 ARG 67 -16.483 1.081 -2.502 431 HG2 ARG 67 HG2 ARG 67 -16.682 3.239 -3.715 432 HG3 ARG 67 HG1 ARG 67 -15.428 2.677 -4.822 433 HD2 ARG 67 HD2 ARG 67 -16.858 0.705 -5.335 434 HD3 ARG 67 HD1 ARG 67 -18.125 1.428 -4.345 435 HE ARG 67 HE ARG 67 -17.194 3.214 -6.363 436 HH11 ARG 67 HH11 ARG 67 -19.303 0.478 -5.799 437 HH12 ARG 67 HH12 ARG 67 -20.349 0.850 -7.130 438 HH21 ARG 67 HH21 ARG 67 -18.563 3.697 -8.127 439 HH22 ARG 67 HH22 ARG 67 -19.929 2.675 -8.453 440 H GLU 68 HN GLU 68 -14.731 4.639 -2.836 441 HA GLU 68 HA GLU 68 -12.622 4.730 -4.693 442 HB2 GLU 68 HB2 GLU 68 -14.198 6.542 -4.668 443 HB3 GLU 68 HB1 GLU 68 -13.886 6.862 -2.967 444 HG2 GLU 68 HG2 GLU 68 -11.622 7.590 -3.500 445 HG3 GLU 68 HG1 GLU 68 -11.928 7.284 -5.210 446 H ARG 69 HN ARG 69 -12.748 5.392 -1.242 447 HA ARG 69 HA ARG 69 -10.339 6.687 -0.940 448 HB2 ARG 69 HB2 ARG 69 -11.731 4.890 1.047 449 HB3 ARG 69 HB1 ARG 69 -10.464 6.046 1.436 450 HG2 ARG 69 HG2 ARG 69 -13.241 6.623 0.438 451 HG3 ARG 69 HG1 ARG 69 -12.539 7.039 2.002 452 HD2 ARG 69 HD2 ARG 69 -10.889 8.472 0.778 453 HD3 ARG 69 HD1 ARG 69 -11.817 8.174 -0.691 454 HE ARG 69 HE ARG 69 -13.502 9.131 1.370 455 HH11 ARG 69 HH11 ARG 69 -11.079 10.195 -0.916 456 HH12 ARG 69 HH12 ARG 69 -11.649 11.832 -0.954 457 HH21 ARG 69 HH21 ARG 69 -14.248 11.283 1.334 458 HH22 ARG 69 HH22 ARG 69 -13.454 12.451 0.330 459 H VAL 70 HN VAL 70 -10.928 3.183 -0.489 460 HA VAL 70 HA VAL 70 -8.186 2.655 -0.009 461 HB VAL 70 HB VAL 70 -10.203 0.666 -1.033 462 HG11 VAL 70 HG11 VAL 70 -7.717 0.323 0.644 463 HG12 VAL 70 HG12 VAL 70 -7.858 -0.051 -1.074 464 HG13 VAL 70 HG13 VAL 70 -8.798 -0.962 0.107 465 HG21 VAL 70 HG21 VAL 70 -10.671 0.167 1.325 466 HG22 VAL 70 HG22 VAL 70 -11.124 1.818 0.901 467 HG23 VAL 70 HG23 VAL 70 -9.641 1.515 1.807 468 H ARG 71 HN ARG 71 -10.193 2.401 -2.920 469 HA ARG 71 HA ARG 71 -8.179 1.316 -4.586 470 HB2 ARG 71 HB2 ARG 71 -10.330 1.038 -5.397 471 HB3 ARG 71 HB1 ARG 71 -10.791 2.692 -5.058 472 HG2 ARG 71 HG2 ARG 71 -10.667 2.562 -7.386 473 HG3 ARG 71 HG1 ARG 71 -9.165 3.344 -6.899 474 HD2 ARG 71 HD2 ARG 71 -7.953 1.275 -7.163 475 HD3 ARG 71 HD1 ARG 71 -9.447 0.411 -7.529 476 HE ARG 71 HE ARG 71 -9.445 2.306 -9.418 477 HH11 ARG 71 HH11 ARG 71 -6.924 0.105 -8.391 478 HH12 ARG 71 HH12 ARG 71 -6.155 0.058 -9.941 479 HH21 ARG 71 HH21 ARG 71 -8.436 2.257 -11.450 480 HH22 ARG 71 HH22 ARG 71 -7.017 1.286 -11.684 481 H GLN 72 HN GLN 72 -9.413 4.655 -4.382 482 HA GLN 72 HA GLN 72 -7.636 5.443 -6.483 483 HB2 GLN 72 HB2 GLN 72 -9.653 6.947 -4.830 484 HB3 GLN 72 HB1 GLN 72 -8.699 7.694 -6.120 485 HG2 GLN 72 HG2 GLN 72 -9.603 5.859 -7.626 486 HG3 GLN 72 HG1 GLN 72 -10.735 5.514 -6.325 487 HE21 GLN 72 HE21 GLN 72 -12.506 6.058 -7.594 488 HE22 GLN 72 HE22 GLN 72 -12.876 7.695 -8.005 489 H ILE 73 HN ILE 73 -7.825 6.055 -3.005 490 HA ILE 73 HA ILE 73 -5.612 7.789 -2.877 491 HB ILE 73 HB ILE 73 -6.614 5.816 -0.825 492 HG12 ILE 73 HG12 ILE 73 -6.892 8.822 -0.987 493 HG13 ILE 73 HG11 ILE 73 -8.112 7.692 -1.561 494 HG21 ILE 73 HG21 ILE 73 -4.266 6.299 -0.377 495 HG22 ILE 73 HG22 ILE 73 -5.297 7.081 0.821 496 HG23 ILE 73 HG23 ILE 73 -4.588 8.029 -0.485 497 HD11 ILE 73 HD11 ILE 73 -8.303 6.805 0.732 498 HD12 ILE 73 HD12 ILE 73 -8.731 8.509 0.595 499 HD13 ILE 73 HD13 ILE 73 -7.167 8.043 1.271 500 H GLN 74 HN GLN 74 -5.812 4.267 -2.955 501 HA GLN 74 HA GLN 74 -3.055 3.709 -2.793 502 HB2 GLN 74 HB2 GLN 74 -4.495 1.850 -2.553 503 HB3 GLN 74 HB1 GLN 74 -5.419 2.281 -3.987 504 HG2 GLN 74 HG2 GLN 74 -2.717 1.781 -4.743 505 HG3 GLN 74 HG1 GLN 74 -3.300 0.449 -3.748 506 HE21 GLN 74 HE21 GLN 74 -6.081 0.901 -4.613 507 HE22 GLN 74 HE22 GLN 74 -6.172 0.249 -6.210 508 H VAL 75 HN VAL 75 -5.200 4.328 -5.537 509 HA VAL 75 HA VAL 75 -3.349 3.892 -7.594 510 HB VAL 75 HB VAL 75 -5.766 5.708 -7.595 511 HG11 VAL 75 HG11 VAL 75 -4.251 6.220 -9.442 512 HG12 VAL 75 HG12 VAL 75 -5.730 5.453 -10.025 513 HG13 VAL 75 HG13 VAL 75 -4.239 4.519 -9.906 514 HG21 VAL 75 HG21 VAL 75 -6.301 3.387 -7.024 515 HG22 VAL 75 HG22 VAL 75 -5.471 2.838 -8.481 516 HG23 VAL 75 HG23 VAL 75 -6.930 3.820 -8.614 517 H GLU 76 HN GLU 76 -4.298 6.956 -6.009 518 HA GLU 76 HA GLU 76 -2.415 8.525 -7.462 519 HB2 GLU 76 HB2 GLU 76 -2.866 10.288 -5.836 520 HB3 GLU 76 HB1 GLU 76 -4.366 9.543 -6.364 521 HG2 GLU 76 HG2 GLU 76 -4.519 8.291 -4.315 522 HG3 GLU 76 HG1 GLU 76 -2.947 8.893 -3.794 523 H GLY 77 HN GLY 77 -2.307 6.649 -4.534 524 HA2 GLY 77 HA2 GLY 77 0.118 7.573 -3.474 525 HA3 GLY 77 HA1 GLY 77 -0.567 5.974 -3.222 526 H LEU 78 HN LEU 78 -0.578 5.233 -6.007 527 HA LEU 78 HA LEU 78 1.819 3.872 -6.139 528 HB2 LEU 78 HB2 LEU 78 0.128 4.687 -8.499 529 HB3 LEU 78 HB1 LEU 78 1.268 3.357 -8.450 530 HG LEU 78 HG LEU 78 -1.325 3.555 -6.919 531 HD11 LEU 78 HD11 LEU 78 -0.456 1.732 -9.155 532 HD12 LEU 78 HD12 LEU 78 -1.600 3.068 -9.291 533 HD13 LEU 78 HD13 LEU 78 -1.998 1.662 -8.301 534 HD21 LEU 78 HD21 LEU 78 0.344 2.432 -5.564 535 HD22 LEU 78 HD22 LEU 78 0.759 1.378 -6.916 536 HD23 LEU 78 HD23 LEU 78 -0.835 1.269 -6.172 537 H ARG 79 HN ARG 79 1.153 7.100 -7.115 538 HA ARG 79 HA ARG 79 3.487 7.425 -8.763 539 HB2 ARG 79 HB2 ARG 79 1.826 9.575 -7.443 540 HB3 ARG 79 HB1 ARG 79 2.845 9.736 -8.867 541 HG2 ARG 79 HG2 ARG 79 1.352 8.497 -10.199 542 HG3 ARG 79 HG1 ARG 79 0.446 7.932 -8.795 543 HD2 ARG 79 HD2 ARG 79 -0.228 10.261 -8.344 544 HD3 ARG 79 HD1 ARG 79 0.602 10.764 -9.812 545 HE ARG 79 HE ARG 79 -1.036 9.021 -10.858 546 HH11 ARG 79 HH11 ARG 79 -1.694 11.317 -8.299 547 HH12 ARG 79 HH12 ARG 79 -3.377 11.476 -8.695 548 HH21 ARG 79 HH21 ARG 79 -3.245 9.231 -11.396 549 HH22 ARG 79 HH22 ARG 79 -4.260 10.283 -10.462 550 H ARG 80 HN ARG 80 2.523 8.583 -5.553 551 HA ARG 80 HA ARG 80 5.041 9.811 -5.053 552 HB2 ARG 80 HB2 ARG 80 4.141 10.265 -2.823 553 HB3 ARG 80 HB1 ARG 80 2.987 10.685 -4.079 554 HG2 ARG 80 HG2 ARG 80 1.952 8.393 -3.648 555 HG3 ARG 80 HG1 ARG 80 2.919 8.375 -2.171 556 HD2 ARG 80 HD2 ARG 80 0.772 9.217 -1.600 557 HD3 ARG 80 HD1 ARG 80 1.891 10.577 -1.580 558 HE ARG 80 HE ARG 80 0.252 10.076 -3.965 559 HH11 ARG 80 HH11 ARG 80 1.156 12.164 -1.302 560 HH12 ARG 80 HH12 ARG 80 0.170 13.485 -1.834 561 HH21 ARG 80 HH21 ARG 80 -1.030 11.820 -4.680 562 HH22 ARG 80 HH22 ARG 80 -1.069 13.289 -3.762 563 H LEU 81 HN LEU 81 3.558 6.756 -4.123 564 HA LEU 81 HA LEU 81 5.198 5.967 -2.046 565 HB2 LEU 81 HB2 LEU 81 3.940 4.269 -4.190 566 HB3 LEU 81 HB1 LEU 81 4.622 3.642 -2.703 567 HG LEU 81 HG LEU 81 2.307 5.574 -2.825 568 HD11 LEU 81 HD11 LEU 81 2.362 2.585 -2.559 569 HD12 LEU 81 HD12 LEU 81 1.587 3.543 -3.821 570 HD13 LEU 81 HD13 LEU 81 0.962 3.585 -2.172 571 HD21 LEU 81 HD21 LEU 81 3.464 3.945 -0.569 572 HD22 LEU 81 HD22 LEU 81 1.978 4.890 -0.487 573 HD23 LEU 81 HD23 LEU 81 3.523 5.700 -0.738 574 H ARG 82 HN ARG 82 5.891 6.011 -5.447 575 HA ARG 82 HA ARG 82 8.026 4.200 -5.538 576 HB2 ARG 82 HB2 ARG 82 7.703 6.723 -7.168 577 HB3 ARG 82 HB1 ARG 82 8.697 5.332 -7.579 578 HG2 ARG 82 HG2 ARG 82 6.733 3.957 -7.842 579 HG3 ARG 82 HG1 ARG 82 5.697 5.286 -7.323 580 HD2 ARG 82 HD2 ARG 82 6.539 6.609 -9.257 581 HD3 ARG 82 HD1 ARG 82 7.410 5.175 -9.798 582 HE ARG 82 HE ARG 82 4.630 4.655 -9.397 583 HH11 ARG 82 HH11 ARG 82 6.944 6.029 -11.638 584 HH12 ARG 82 HH12 ARG 82 5.950 5.756 -13.033 585 HH21 ARG 82 HH21 ARG 82 3.317 4.293 -11.237 586 HH22 ARG 82 HH22 ARG 82 3.893 4.761 -12.804 587 H GLU 83 HN GLU 83 7.837 7.527 -4.470 588 HA GLU 83 HA GLU 83 10.511 8.283 -4.767 589 HB2 GLU 83 HB2 GLU 83 8.538 9.197 -2.672 590 HB3 GLU 83 HB1 GLU 83 10.019 10.034 -3.119 591 HG2 GLU 83 HG2 GLU 83 9.166 10.403 -5.360 592 HG3 GLU 83 HG1 GLU 83 7.702 9.503 -4.968 593 H ILE 84 HN ILE 84 8.943 7.077 -1.753 594 HA ILE 84 HA ILE 84 11.327 6.954 -0.284 595 HB ILE 84 HB ILE 84 8.599 5.880 0.041 596 HG12 ILE 84 HG12 ILE 84 10.440 7.560 1.731 597 HG13 ILE 84 HG11 ILE 84 9.220 8.171 0.618 598 HG21 ILE 84 HG21 ILE 84 10.881 5.057 1.837 599 HG22 ILE 84 HG22 ILE 84 9.948 3.982 0.794 600 HG23 ILE 84 HG23 ILE 84 9.163 4.793 2.155 601 HD11 ILE 84 HD11 ILE 84 7.494 7.177 1.921 602 HD12 ILE 84 HD12 ILE 84 8.495 8.228 2.926 603 HD13 ILE 84 HD13 ILE 84 8.684 6.476 3.014 604 H LEU 85 HN LEU 85 9.946 4.725 -2.584 605 HA LEU 85 HA LEU 85 11.535 2.512 -1.668 606 HB2 LEU 85 HB2 LEU 85 9.881 2.855 -4.161 607 HB3 LEU 85 HB1 LEU 85 10.668 1.359 -3.675 608 HG LEU 85 HG LEU 85 8.442 2.782 -2.211 609 HD11 LEU 85 HD11 LEU 85 7.860 1.494 -4.257 610 HD12 LEU 85 HD12 LEU 85 7.132 0.869 -2.781 611 HD13 LEU 85 HD13 LEU 85 8.530 0.055 -3.487 612 HD21 LEU 85 HD21 LEU 85 9.996 0.303 -1.465 613 HD22 LEU 85 HD22 LEU 85 8.526 0.860 -0.667 614 HD23 LEU 85 HD23 LEU 85 9.987 1.842 -0.599 615 H GLN 86 HN GLN 86 11.563 4.671 -4.491 616 HA GLN 86 HA GLN 86 13.784 3.448 -5.713 617 HB2 GLN 86 HB2 GLN 86 13.895 5.386 -7.151 618 HB3 GLN 86 HB1 GLN 86 12.221 4.911 -6.921 619 HG2 GLN 86 HG2 GLN 86 11.976 6.703 -5.248 620 HG3 GLN 86 HG1 GLN 86 13.633 7.205 -5.584 621 HE21 GLN 86 HE21 GLN 86 11.465 6.013 -8.042 622 HE22 GLN 86 HE22 GLN 86 11.275 7.513 -8.878 623 H THR 87 HN THR 87 13.537 5.870 -3.208 624 HA THR 87 HA THR 87 16.251 6.716 -3.324 625 HB THR 87 HB THR 87 14.275 7.871 -2.092 626 HG1 THR 87 HG1 THR 87 16.925 7.588 -1.107 627 HG21 THR 87 HG21 THR 87 15.206 5.985 0.075 628 HG22 THR 87 HG22 THR 87 13.615 5.986 -0.685 629 HG23 THR 87 HG23 THR 87 14.121 7.356 0.302 630 H GLN 88 HN GLN 88 14.699 3.899 -2.276 631 HA GLN 88 HA GLN 88 16.961 3.084 -0.600 632 HB2 GLN 88 HB2 GLN 88 14.158 2.004 -0.808 633 HB3 GLN 88 HB1 GLN 88 15.412 1.304 0.198 634 HG2 GLN 88 HG2 GLN 88 15.548 3.457 1.417 635 HG3 GLN 88 HG1 GLN 88 14.185 4.032 0.459 636 HE21 GLN 88 HE21 GLN 88 12.801 4.275 2.110 637 HE22 GLN 88 HE22 GLN 88 12.137 2.956 3.009 638 H GLY 89 HN GLY 89 15.828 2.803 -3.700 639 HA2 GLY 89 HA2 GLY 89 16.707 1.490 -5.423 640 HA3 GLY 89 HA1 GLY 89 17.445 0.444 -4.217 641 H LEU 90 HN LEU 90 14.196 1.132 -3.612 642 HA LEU 90 HA LEU 90 13.465 -1.619 -4.318 643 HB2 LEU 90 HB2 LEU 90 11.739 0.252 -2.753 644 HB3 LEU 90 HB1 LEU 90 11.838 -1.491 -2.654 645 HG LEU 90 HG LEU 90 13.964 0.403 -1.670 646 HD11 LEU 90 HD11 LEU 90 11.888 0.649 -0.414 647 HD12 LEU 90 HD12 LEU 90 13.147 -0.114 0.555 648 HD13 LEU 90 HD13 LEU 90 11.852 -1.093 -0.136 649 HD21 LEU 90 HD21 LEU 90 14.891 -1.514 -0.564 650 HD22 LEU 90 HD22 LEU 90 14.750 -1.846 -2.292 651 HD23 LEU 90 HD23 LEU 90 13.582 -2.531 -1.162 652 H ASN 91 HN ASN 91 11.200 -1.931 -5.161 653 HA ASN 91 HA ASN 91 10.373 0.336 -6.842 654 HB2 ASN 91 HB2 ASN 91 9.776 -1.269 -8.635 655 HB3 ASN 91 HB1 ASN 91 11.499 -1.254 -8.295 656 HD21 ASN 91 HD21 ASN 91 9.806 -3.265 -9.557 657 HD22 ASN 91 HD22 ASN 91 10.024 -4.717 -8.641 658 H ILE 92 HN ILE 92 8.253 0.743 -7.000 659 HA ILE 92 HA ILE 92 6.545 -0.367 -4.983 660 HB ILE 92 HB ILE 92 6.441 2.014 -5.717 661 HG12 ILE 92 HG12 ILE 92 3.994 0.267 -5.813 662 HG13 ILE 92 HG11 ILE 92 4.604 1.219 -4.465 663 HG21 ILE 92 HG21 ILE 92 5.162 2.544 -7.773 664 HG22 ILE 92 HG22 ILE 92 5.219 0.835 -8.209 665 HG23 ILE 92 HG23 ILE 92 6.711 1.766 -8.097 666 HD11 ILE 92 HD11 ILE 92 2.684 2.298 -5.294 667 HD12 ILE 92 HD12 ILE 92 3.266 2.203 -6.955 668 HD13 ILE 92 HD13 ILE 92 4.075 3.259 -5.799 669 H GLU 93 HN GLU 93 7.109 -0.939 -8.332 670 HA GLU 93 HA GLU 93 4.641 -2.052 -9.076 671 HB2 GLU 93 HB2 GLU 93 7.405 -2.576 -10.173 672 HB3 GLU 93 HB1 GLU 93 5.903 -3.049 -10.957 673 HG2 GLU 93 HG2 GLU 93 5.247 -0.711 -11.135 674 HG3 GLU 93 HG1 GLU 93 6.739 -0.229 -10.331 675 H ALA 94 HN ALA 94 6.996 -3.219 -6.979 676 HA ALA 94 HA ALA 94 6.632 -6.025 -7.484 677 HB1 ALA 94 HB1 ALA 94 7.865 -4.648 -5.102 678 HB2 ALA 94 HB2 ALA 94 8.727 -5.096 -6.574 679 HB3 ALA 94 HB3 ALA 94 8.036 -6.349 -5.539 680 H LEU 95 HN LEU 95 4.924 -3.605 -5.789 681 HA LEU 95 HA LEU 95 3.830 -5.246 -3.718 682 HB2 LEU 95 HB2 LEU 95 3.064 -2.562 -4.815 683 HB3 LEU 95 HB1 LEU 95 2.330 -3.297 -3.397 684 HG LEU 95 HG LEU 95 5.295 -2.889 -3.566 685 HD11 LEU 95 HD11 LEU 95 4.269 -0.744 -3.991 686 HD12 LEU 95 HD12 LEU 95 4.990 -0.790 -2.382 687 HD13 LEU 95 HD13 LEU 95 3.243 -0.938 -2.572 688 HD21 LEU 95 HD21 LEU 95 5.077 -2.905 -1.127 689 HD22 LEU 95 HD22 LEU 95 4.448 -4.385 -1.848 690 HD23 LEU 95 HD23 LEU 95 3.335 -3.136 -1.291 691 H PHE 96 HN PHE 96 2.666 -4.016 -6.817 692 HA PHE 96 HA PHE 96 0.240 -5.605 -6.542 693 HB2 PHE 96 HB2 PHE 96 0.109 -4.452 -9.026 694 HB3 PHE 96 HB1 PHE 96 -0.628 -3.817 -7.558 695 HD1 PHE 96 HD1 PHE 96 0.753 -2.182 -6.174 696 HD2 PHE 96 HD2 PHE 96 1.660 -3.206 -10.199 697 HE1 PHE 96 HE1 PHE 96 2.049 -0.104 -6.408 698 HE2 PHE 96 HE2 PHE 96 2.965 -1.136 -10.442 699 HZ PHE 96 HZ PHE 96 3.159 0.421 -8.542 700 H ARG 97 HN ARG 97 3.173 -6.373 -7.246 701 HA ARG 97 HA ARG 97 2.698 -7.821 -9.717 702 HB2 ARG 97 HB2 ARG 97 4.880 -6.722 -9.286 703 HB3 ARG 97 HB1 ARG 97 5.116 -7.786 -7.911 704 HG2 ARG 97 HG2 ARG 97 6.358 -8.790 -9.593 705 HG3 ARG 97 HG1 ARG 97 4.839 -9.692 -9.604 706 HD2 ARG 97 HD2 ARG 97 4.056 -8.480 -11.505 707 HD3 ARG 97 HD1 ARG 97 5.422 -7.366 -11.423 708 HE ARG 97 HE ARG 97 5.934 -10.217 -11.866 709 HH11 ARG 97 HH11 ARG 97 5.872 -6.950 -13.108 710 HH12 ARG 97 HH12 ARG 97 6.926 -7.302 -14.441 711 HH21 ARG 97 HH21 ARG 97 7.323 -10.687 -13.608 712 HH22 ARG 97 HH22 ARG 97 7.749 -9.432 -14.730 713 H GLU 98 HN GLU 98 0.899 -8.840 -8.453 714 HA GLU 98 HA GLU 98 1.743 -10.991 -6.674 715 HB2 GLU 98 HB2 GLU 98 -0.928 -9.749 -7.310 716 HB3 GLU 98 HB1 GLU 98 -0.810 -11.278 -6.452 717 HG2 GLU 98 HG2 GLU 98 0.569 -8.777 -5.504 718 HG3 GLU 98 HG1 GLU 98 -1.076 -9.203 -5.032 Start of MODEL 3 1 H1 GLY 13 HT1 GLY 13 19.562 -3.669 2.004 2 H2 GLY 13 HT2 GLY 13 18.049 -2.988 2.322 3 H3 GLY 13 HT3 GLY 13 18.847 -3.873 3.522 4 HA2 GLY 13 HA1 GLY 13 20.626 -2.215 3.578 5 HA3 GLY 13 HA2 GLY 13 19.747 -1.288 2.373 6 HA PRO 14 HA PRO 14 17.628 0.819 5.633 7 HB2 PRO 14 HB2 PRO 14 15.269 1.427 4.455 8 HB3 PRO 14 HB1 PRO 14 16.790 2.194 3.984 9 HG2 PRO 14 HG2 PRO 14 15.342 -0.085 2.687 10 HG3 PRO 14 HG1 PRO 14 16.084 1.341 1.940 11 HD2 PRO 14 HD2 PRO 14 17.311 -1.060 1.994 12 HD3 PRO 14 HD1 PRO 14 18.208 0.471 2.074 13 H GLU 15 HN GLU 15 14.686 0.802 5.874 14 HA GLU 15 HA GLU 15 14.432 -1.271 7.751 15 HB2 GLU 15 HB2 GLU 15 11.996 -0.760 7.734 16 HB3 GLU 15 HB1 GLU 15 13.012 0.656 7.936 17 HG2 GLU 15 HG2 GLU 15 12.174 -0.020 5.179 18 HG3 GLU 15 HG1 GLU 15 10.934 0.594 6.276 19 H ASP 16 HN ASP 16 13.734 -1.149 4.359 20 HA ASP 16 HA ASP 16 12.022 -3.231 3.919 21 HB2 ASP 16 HB2 ASP 16 12.825 -1.827 2.122 22 HB3 ASP 16 HB1 ASP 16 14.457 -2.461 2.306 23 H THR 17 HN THR 17 15.440 -3.789 3.228 24 HA THR 17 HA THR 17 16.690 -5.652 3.200 25 HB THR 17 HB THR 17 16.956 -6.783 5.378 26 HG1 THR 17 HG1 THR 17 14.526 -5.678 5.840 27 HG21 THR 17 HG21 THR 17 17.739 -4.784 6.601 28 HG22 THR 17 HG22 THR 17 16.905 -3.776 5.420 29 HG23 THR 17 HG23 THR 17 18.244 -4.806 4.913 30 H THR 18 HN THR 18 13.841 -6.000 2.328 31 HA THR 18 HA THR 18 13.905 -8.808 1.873 32 HB THR 18 HB THR 18 11.460 -7.982 3.420 33 HG1 THR 18 HG1 THR 18 13.970 -8.562 4.455 34 HG21 THR 18 HG21 THR 18 12.763 -10.651 2.875 35 HG22 THR 18 HG22 THR 18 11.353 -9.996 2.044 36 HG23 THR 18 HG23 THR 18 11.255 -10.405 3.756 37 H GLN 19 HN GLN 19 13.889 -7.408 -0.145 38 HA GLN 19 HA GLN 19 11.466 -6.095 -0.862 39 HB2 GLN 19 HB2 GLN 19 13.876 -6.922 -2.470 40 HB3 GLN 19 HB1 GLN 19 12.524 -6.022 -3.145 41 HG2 GLN 19 HG2 GLN 19 12.920 -4.170 -1.701 42 HG3 GLN 19 HG1 GLN 19 14.105 -5.082 -0.766 43 HE21 GLN 19 HE21 GLN 19 13.890 -5.207 -4.252 44 HE22 GLN 19 HE22 GLN 19 15.382 -4.394 -4.572 45 H ASP 20 HN ASP 20 9.835 -7.530 -0.597 46 HA ASP 20 HA ASP 20 9.342 -9.458 -2.696 47 HB2 ASP 20 HB2 ASP 20 10.817 -10.582 -0.880 48 HB3 ASP 20 HB1 ASP 20 9.395 -10.477 0.150 49 H ASP 21 HN ASP 21 7.278 -10.832 -0.998 50 HA ASP 21 HA ASP 21 5.146 -9.005 -0.951 51 HB2 ASP 21 HB2 ASP 21 5.670 -11.551 0.571 52 HB3 ASP 21 HB1 ASP 21 4.232 -10.595 0.896 53 H ASP 22 HN ASP 22 7.659 -9.732 1.294 54 HA ASP 22 HA ASP 22 6.745 -8.274 3.521 55 HB2 ASP 22 HB2 ASP 22 9.487 -9.167 2.675 56 HB3 ASP 22 HB1 ASP 22 9.186 -8.311 4.185 57 H MET 23 HN MET 23 8.096 -7.228 0.533 58 HA MET 23 HA MET 23 9.275 -4.815 1.310 59 HB2 MET 23 HB2 MET 23 9.515 -5.578 -0.961 60 HB3 MET 23 HB1 MET 23 7.779 -5.481 -1.224 61 HG2 MET 23 HG2 MET 23 7.891 -3.045 -0.909 62 HG3 MET 23 HG1 MET 23 9.639 -3.167 -0.718 63 HE1 MET 23 HE1 MET 23 10.765 -4.384 -4.234 64 HE2 MET 23 HE2 MET 23 10.456 -5.318 -2.768 65 HE3 MET 23 HE3 MET 23 11.298 -3.772 -2.669 66 H LYS 24 HN LYS 24 5.986 -5.804 1.327 67 HA LYS 24 HA LYS 24 4.741 -3.295 1.185 68 HB2 LYS 24 HB2 LYS 24 3.542 -5.486 1.108 69 HB3 LYS 24 HB1 LYS 24 3.833 -5.660 2.835 70 HG2 LYS 24 HG2 LYS 24 1.588 -4.812 2.376 71 HG3 LYS 24 HG1 LYS 24 2.556 -3.640 3.276 72 HD2 LYS 24 HD2 LYS 24 3.136 -2.645 0.989 73 HD3 LYS 24 HD1 LYS 24 1.795 -3.607 0.370 74 HE2 LYS 24 HE2 LYS 24 1.261 -1.253 0.975 75 HE3 LYS 24 HE1 LYS 24 0.251 -2.473 1.745 76 HZ1 LYS 24 HZ1 LYS 24 2.569 -1.097 2.996 77 HZ2 LYS 24 HZ2 LYS 24 1.587 -2.250 3.745 78 HZ3 LYS 24 HZ3 LYS 24 0.937 -0.752 3.299 79 H GLN 25 HN GLN 25 6.559 -4.862 3.663 80 HA GLN 25 HA GLN 25 5.823 -3.208 5.854 81 HB2 GLN 25 HB2 GLN 25 6.874 -5.249 6.383 82 HB3 GLN 25 HB1 GLN 25 8.166 -4.987 5.224 83 HG2 GLN 25 HG2 GLN 25 8.115 -2.949 7.281 84 HG3 GLN 25 HG1 GLN 25 8.277 -4.573 7.946 85 HE21 GLN 25 HE21 GLN 25 9.466 -3.656 4.775 86 HE22 GLN 25 HE22 GLN 25 11.141 -3.779 5.158 87 H SER 26 HN SER 26 8.200 -2.998 3.270 88 HA SER 26 HA SER 26 9.485 -0.656 4.209 89 HB2 SER 26 HB2 SER 26 9.285 -1.448 1.321 90 HB3 SER 26 HB1 SER 26 10.666 -0.799 2.204 91 HG SER 26 HG SER 26 10.857 -3.068 1.773 92 H ILE 27 HN ILE 27 6.647 -1.317 2.245 93 HA ILE 27 HA ILE 27 6.072 1.378 1.523 94 HB ILE 27 HB ILE 27 4.139 -0.920 1.901 95 HG12 ILE 27 HG12 ILE 27 5.927 -1.425 0.271 96 HG13 ILE 27 HG11 ILE 27 4.341 -1.307 -0.484 97 HG21 ILE 27 HG21 ILE 27 2.677 0.330 0.377 98 HG22 ILE 27 HG22 ILE 27 3.836 1.659 0.366 99 HG23 ILE 27 HG23 ILE 27 3.005 1.226 1.860 100 HD11 ILE 27 HD11 ILE 27 6.007 -0.257 -1.862 101 HD12 ILE 27 HD12 ILE 27 6.497 0.786 -0.526 102 HD13 ILE 27 HD13 ILE 27 4.893 0.958 -1.237 103 H VAL 28 HN VAL 28 5.676 -0.495 4.396 104 HA VAL 28 HA VAL 28 3.595 0.895 5.652 105 HB VAL 28 HB VAL 28 5.887 -0.726 6.741 106 HG11 VAL 28 HG11 VAL 28 5.332 0.952 8.431 107 HG12 VAL 28 HG12 VAL 28 4.838 -0.663 8.936 108 HG13 VAL 28 HG13 VAL 28 3.635 0.483 8.342 109 HG21 VAL 28 HG21 VAL 28 4.110 -1.908 5.536 110 HG22 VAL 28 HG22 VAL 28 2.912 -1.218 6.631 111 HG23 VAL 28 HG23 VAL 28 4.129 -2.336 7.248 112 H LYS 29 HN LYS 29 6.994 1.636 5.312 113 HA LYS 29 HA LYS 29 7.225 3.563 7.334 114 HB2 LYS 29 HB2 LYS 29 9.285 4.088 6.404 115 HB3 LYS 29 HB1 LYS 29 9.030 2.454 5.819 116 HG2 LYS 29 HG2 LYS 29 9.610 3.337 3.844 117 HG3 LYS 29 HG1 LYS 29 7.927 3.866 3.801 118 HD2 LYS 29 HD2 LYS 29 9.221 5.774 3.275 119 HD3 LYS 29 HD1 LYS 29 8.707 5.987 4.949 120 HE2 LYS 29 HE2 LYS 29 10.886 5.104 5.693 121 HE3 LYS 29 HE1 LYS 29 11.388 4.991 4.010 122 HZ1 LYS 29 HZ1 LYS 29 12.226 6.995 5.033 123 HZ2 LYS 29 HZ2 LYS 29 10.666 7.485 5.440 124 HZ3 LYS 29 HZ3 LYS 29 11.125 7.389 3.816 125 H TRP 30 HN TRP 30 5.747 3.663 4.207 126 HA TRP 30 HA TRP 30 5.684 6.457 3.813 127 HB2 TRP 30 HB2 TRP 30 4.453 4.089 2.611 128 HB3 TRP 30 HB1 TRP 30 3.470 5.545 2.490 129 HD1 TRP 30 HD1 TRP 30 6.258 3.776 0.828 130 HE1 TRP 30 HE1 TRP 30 7.332 5.283 -0.949 131 HE3 TRP 30 HE3 TRP 30 4.132 8.234 2.140 132 HZ2 TRP 30 HZ2 TRP 30 7.287 8.001 -1.701 133 HZ3 TRP 30 HZ3 TRP 30 4.696 10.238 0.831 134 HH2 TRP 30 HH2 TRP 30 6.245 10.124 -1.047 135 H LEU 31 HN LEU 31 3.896 4.359 5.875 136 HA LEU 31 HA LEU 31 1.530 5.873 6.166 137 HB2 LEU 31 HB2 LEU 31 1.006 4.043 7.334 138 HB3 LEU 31 HB1 LEU 31 2.685 3.533 7.320 139 HG LEU 31 HG LEU 31 2.957 5.105 9.365 140 HD11 LEU 31 HD11 LEU 31 0.944 5.352 10.720 141 HD12 LEU 31 HD12 LEU 31 -0.026 4.685 9.408 142 HD13 LEU 31 HD13 LEU 31 0.808 6.226 9.193 143 HD21 LEU 31 HD21 LEU 31 1.341 2.583 9.653 144 HD22 LEU 31 HD22 LEU 31 2.392 3.314 10.863 145 HD23 LEU 31 HD23 LEU 31 3.082 2.640 9.386 146 H PHE 32 HN PHE 32 4.684 6.008 7.695 147 HA PHE 32 HA PHE 32 3.912 8.048 9.581 148 HB2 PHE 32 HB2 PHE 32 6.728 7.270 8.814 149 HB3 PHE 32 HB1 PHE 32 6.181 7.997 10.320 150 HD1 PHE 32 HD1 PHE 32 7.052 5.002 8.688 151 HD2 PHE 32 HD2 PHE 32 4.541 6.565 11.745 152 HE1 PHE 32 HE1 PHE 32 6.874 2.758 9.680 153 HE2 PHE 32 HE2 PHE 32 4.362 4.324 12.746 154 HZ PHE 32 HZ PHE 32 5.529 2.417 11.713 155 H GLU 33 HN GLU 33 4.315 8.103 6.347 156 HA GLU 33 HA GLU 33 5.745 10.668 6.313 157 HB2 GLU 33 HB2 GLU 33 6.651 8.751 4.960 158 HB3 GLU 33 HB1 GLU 33 5.202 8.847 3.971 159 HG2 GLU 33 HG2 GLU 33 6.917 10.010 2.830 160 HG3 GLU 33 HG1 GLU 33 5.798 11.216 3.465 161 H LEU 34 HN LEU 34 2.975 9.033 4.706 162 HA LEU 34 HA LEU 34 1.966 11.736 4.090 163 HB2 LEU 34 HB2 LEU 34 2.499 9.486 2.405 164 HB3 LEU 34 HB1 LEU 34 0.792 9.873 2.333 165 HG LEU 34 HG LEU 34 2.194 10.968 0.572 166 HD11 LEU 34 HD11 LEU 34 0.017 11.864 1.184 167 HD12 LEU 34 HD12 LEU 34 1.144 13.165 0.797 168 HD13 LEU 34 HD13 LEU 34 0.756 12.806 2.479 169 HD21 LEU 34 HD21 LEU 34 4.115 11.388 2.176 170 HD22 LEU 34 HD22 LEU 34 3.180 12.755 2.777 171 HD23 LEU 34 HD23 LEU 34 3.691 12.709 1.091 172 H ASN 35 HN ASN 35 1.085 8.541 5.215 173 HA ASN 35 HA ASN 35 -1.062 9.293 6.764 174 HB2 ASN 35 HB2 ASN 35 -1.900 9.805 4.270 175 HB3 ASN 35 HB1 ASN 35 -2.264 8.091 4.341 176 HD21 ASN 35 HD21 ASN 35 -4.076 10.244 4.066 177 HD22 ASN 35 HD22 ASN 35 -5.135 10.179 5.422 178 H ALA 36 HN ALA 36 -2.247 7.502 7.569 179 HA ALA 36 HA ALA 36 -0.895 4.993 7.527 180 HB1 ALA 36 HB1 ALA 36 -2.735 4.196 8.907 181 HB2 ALA 36 HB2 ALA 36 -3.665 5.644 8.529 182 HB3 ALA 36 HB3 ALA 36 -2.184 5.772 9.476 183 H LYS 37 HN LYS 37 -3.336 6.508 5.692 184 HA LYS 37 HA LYS 37 -4.648 4.306 4.580 185 HB2 LYS 37 HB2 LYS 37 -4.185 7.096 3.544 186 HB3 LYS 37 HB1 LYS 37 -5.181 5.913 2.704 187 HG2 LYS 37 HG2 LYS 37 -5.669 6.733 5.553 188 HG3 LYS 37 HG1 LYS 37 -6.414 7.539 4.170 189 HD2 LYS 37 HD2 LYS 37 -7.602 5.602 3.548 190 HD3 LYS 37 HD1 LYS 37 -6.620 4.567 4.584 191 HE2 LYS 37 HE2 LYS 37 -8.424 6.739 5.627 192 HE3 LYS 37 HE1 LYS 37 -8.935 5.064 5.435 193 HZ1 LYS 37 HZ1 LYS 37 -7.049 4.443 6.915 194 HZ2 LYS 37 HZ2 LYS 37 -8.249 5.374 7.670 195 HZ3 LYS 37 HZ3 LYS 37 -6.793 6.094 7.210 196 H GLN 38 HN GLN 38 -1.865 6.182 3.279 197 HA GLN 38 HA GLN 38 -1.484 4.634 0.991 198 HB2 GLN 38 HB2 GLN 38 0.263 6.411 2.615 199 HB3 GLN 38 HB1 GLN 38 1.034 5.351 1.449 200 HG2 GLN 38 HG2 GLN 38 0.662 7.500 0.468 201 HG3 GLN 38 HG1 GLN 38 -0.337 6.292 -0.325 202 HE21 GLN 38 HE21 GLN 38 -1.677 7.899 -1.137 203 HE22 GLN 38 HE22 GLN 38 -2.843 8.706 -0.151 204 H ARG 39 HN ARG 39 -0.600 3.998 4.292 205 HA ARG 39 HA ARG 39 1.036 1.727 3.753 206 HB2 ARG 39 HB2 ARG 39 1.100 2.784 5.932 207 HB3 ARG 39 HB1 ARG 39 -0.598 2.421 6.196 208 HG2 ARG 39 HG2 ARG 39 0.272 -0.057 5.809 209 HG3 ARG 39 HG1 ARG 39 1.779 0.661 6.376 210 HD2 ARG 39 HD2 ARG 39 0.429 1.586 8.319 211 HD3 ARG 39 HD1 ARG 39 -0.865 0.511 7.797 212 HE ARG 39 HE ARG 39 1.799 -0.417 8.668 213 HH11 ARG 39 HH11 ARG 39 -1.679 -0.795 8.498 214 HH12 ARG 39 HH12 ARG 39 -1.682 -2.299 9.355 215 HH21 ARG 39 HH21 ARG 39 1.793 -2.388 9.825 216 HH22 ARG 39 HH22 ARG 39 0.287 -3.201 10.115 217 H GLU 40 HN GLU 40 -2.379 2.004 4.758 218 HA GLU 40 HA GLU 40 -2.672 -0.842 4.692 219 HB2 GLU 40 HB2 GLU 40 -4.990 -0.425 5.380 220 HB3 GLU 40 HB1 GLU 40 -3.831 0.441 6.374 221 HG2 GLU 40 HG2 GLU 40 -4.291 2.473 5.019 222 HG3 GLU 40 HG1 GLU 40 -5.569 1.577 4.200 223 H VAL 41 HN VAL 41 -3.672 1.728 2.467 224 HA VAL 41 HA VAL 41 -5.667 0.401 1.113 225 HB VAL 41 HB VAL 41 -5.173 1.842 -0.809 226 HG11 VAL 41 HG11 VAL 41 -5.057 3.326 1.792 227 HG12 VAL 41 HG12 VAL 41 -6.511 2.609 1.101 228 HG13 VAL 41 HG13 VAL 41 -5.686 3.915 0.252 229 HG21 VAL 41 HG21 VAL 41 -3.375 3.573 -0.523 230 HG22 VAL 41 HG22 VAL 41 -2.800 1.934 -0.852 231 HG23 VAL 41 HG23 VAL 41 -2.740 2.583 0.792 232 H LEU 42 HN LEU 42 -2.192 0.378 0.265 233 HA LEU 42 HA LEU 42 -2.402 -1.257 -1.974 234 HB2 LEU 42 HB2 LEU 42 -0.174 -0.899 -0.004 235 HB3 LEU 42 HB1 LEU 42 -0.010 -1.906 -1.428 236 HG LEU 42 HG LEU 42 -0.802 0.310 -2.607 237 HD11 LEU 42 HD11 LEU 42 -0.001 2.287 -1.590 238 HD12 LEU 42 HD12 LEU 42 0.640 1.371 -0.226 239 HD13 LEU 42 HD13 LEU 42 -1.099 1.470 -0.481 240 HD21 LEU 42 HD21 LEU 42 2.012 -0.165 -1.643 241 HD22 LEU 42 HD22 LEU 42 1.553 0.856 -3.006 242 HD23 LEU 42 HD23 LEU 42 1.279 -0.883 -3.074 243 H ALA 43 HN ALA 43 -1.750 -2.030 1.382 244 HA ALA 43 HA ALA 43 -1.341 -4.777 1.071 245 HB1 ALA 43 HB1 ALA 43 -0.673 -3.569 3.080 246 HB2 ALA 43 HB2 ALA 43 -1.717 -4.931 3.484 247 HB3 ALA 43 HB3 ALA 43 -2.366 -3.291 3.488 248 H ARG 44 HN ARG 44 -4.267 -2.893 1.450 249 HA ARG 44 HA ARG 44 -5.888 -5.186 2.042 250 HB2 ARG 44 HB2 ARG 44 -6.300 -2.883 2.902 251 HB3 ARG 44 HB1 ARG 44 -6.776 -2.412 1.277 252 HG2 ARG 44 HG2 ARG 44 -8.647 -3.844 1.319 253 HG3 ARG 44 HG1 ARG 44 -8.084 -4.652 2.783 254 HD2 ARG 44 HD2 ARG 44 -8.919 -1.765 2.579 255 HD3 ARG 44 HD1 ARG 44 -9.897 -3.072 3.237 256 HE ARG 44 HE ARG 44 -7.817 -1.658 4.566 257 HH11 ARG 44 HH11 ARG 44 -9.309 -4.818 4.328 258 HH12 ARG 44 HH12 ARG 44 -8.885 -5.280 5.942 259 HH21 ARG 44 HH21 ARG 44 -7.284 -2.255 6.704 260 HH22 ARG 44 HH22 ARG 44 -7.750 -3.817 7.295 261 H ARG 45 HN ARG 45 -5.295 -3.169 -0.825 262 HA ARG 45 HA ARG 45 -7.259 -4.627 -2.339 263 HB2 ARG 45 HB2 ARG 45 -5.401 -2.386 -2.888 264 HB3 ARG 45 HB1 ARG 45 -5.919 -3.349 -4.266 265 HG2 ARG 45 HG2 ARG 45 -7.786 -2.035 -2.302 266 HG3 ARG 45 HG1 ARG 45 -7.322 -1.351 -3.861 267 HD2 ARG 45 HD2 ARG 45 -8.783 -3.967 -3.416 268 HD3 ARG 45 HD1 ARG 45 -9.481 -2.461 -4.014 269 HE ARG 45 HE ARG 45 -8.056 -2.701 -5.995 270 HH11 ARG 45 HH11 ARG 45 -8.761 -5.568 -4.103 271 HH12 ARG 45 HH12 ARG 45 -8.343 -6.660 -5.378 272 HH21 ARG 45 HH21 ARG 45 -7.542 -4.156 -7.675 273 HH22 ARG 45 HH22 ARG 45 -7.654 -5.863 -7.399 274 H PHE 46 HN PHE 46 -3.880 -5.019 -1.681 275 HA PHE 46 HA PHE 46 -3.676 -6.911 -3.910 276 HB2 PHE 46 HB2 PHE 46 -1.465 -5.902 -2.120 277 HB3 PHE 46 HB1 PHE 46 -1.267 -6.860 -3.580 278 HD1 PHE 46 HD1 PHE 46 -0.231 -4.017 -2.654 279 HD2 PHE 46 HD2 PHE 46 -3.259 -5.380 -5.313 280 HE1 PHE 46 HE1 PHE 46 -0.029 -1.940 -3.937 281 HE2 PHE 46 HE2 PHE 46 -3.067 -3.295 -6.600 282 HZ PHE 46 HZ PHE 46 -1.450 -1.572 -5.910 283 H GLY 47 HN GLY 47 -3.894 -6.783 -0.473 284 HA2 GLY 47 HA2 GLY 47 -4.411 -8.600 0.913 285 HA3 GLY 47 HA1 GLY 47 -3.901 -9.696 -0.362 286 H LEU 48 HN LEU 48 -2.064 -6.993 0.925 287 HA LEU 48 HA LEU 48 0.115 -8.868 1.533 288 HB2 LEU 48 HB2 LEU 48 0.296 -5.875 1.249 289 HB3 LEU 48 HB1 LEU 48 1.618 -7.024 1.265 290 HG LEU 48 HG LEU 48 -0.453 -6.808 -0.917 291 HD11 LEU 48 HD11 LEU 48 1.378 -5.870 -2.253 292 HD12 LEU 48 HD12 LEU 48 2.398 -5.853 -0.815 293 HD13 LEU 48 HD13 LEU 48 0.951 -4.845 -0.882 294 HD21 LEU 48 HD21 LEU 48 0.445 -9.058 -0.694 295 HD22 LEU 48 HD22 LEU 48 2.088 -8.420 -0.740 296 HD23 LEU 48 HD23 LEU 48 1.049 -8.286 -2.159 297 H LEU 49 HN LEU 49 1.518 -8.275 3.400 298 HA LEU 49 HA LEU 49 1.852 -7.888 5.612 299 HB2 LEU 49 HB2 LEU 49 0.958 -5.522 4.524 300 HB3 LEU 49 HB1 LEU 49 -0.127 -5.742 5.879 301 HG LEU 49 HG LEU 49 1.737 -4.348 6.524 302 HD11 LEU 49 HD11 LEU 49 2.579 -5.598 8.453 303 HD12 LEU 49 HD12 LEU 49 1.934 -7.084 7.759 304 HD13 LEU 49 HD13 LEU 49 0.839 -5.791 8.244 305 HD21 LEU 49 HD21 LEU 49 4.030 -5.171 6.532 306 HD22 LEU 49 HD22 LEU 49 3.371 -5.133 4.897 307 HD23 LEU 49 HD23 LEU 49 3.503 -6.665 5.760 308 H GLY 50 HN GLY 50 -0.236 -9.747 4.828 309 HA2 GLY 50 HA2 GLY 50 -1.600 -11.152 6.069 310 HA3 GLY 50 HA1 GLY 50 -1.472 -10.032 7.416 311 H TYR 51 HN TYR 51 -2.330 -8.180 4.851 312 HA TYR 51 HA TYR 51 -5.027 -7.890 5.729 313 HB2 TYR 51 HB2 TYR 51 -3.460 -6.762 3.437 314 HB3 TYR 51 HB1 TYR 51 -5.190 -6.497 3.563 315 HD1 TYR 51 HD1 TYR 51 -5.640 -4.372 4.207 316 HD2 TYR 51 HD2 TYR 51 -2.387 -6.386 6.060 317 HE1 TYR 51 HE1 TYR 51 -5.278 -2.435 5.660 318 HE2 TYR 51 HE2 TYR 51 -2.011 -4.439 7.521 319 HH TYR 51 HH TYR 51 -4.263 -1.916 7.826 320 H GLU 52 HN GLU 52 -6.834 -7.893 4.090 321 HA GLU 52 HA GLU 52 -6.677 -10.358 2.501 322 HB2 GLU 52 HB2 GLU 52 -9.167 -10.447 2.759 323 HB3 GLU 52 HB1 GLU 52 -8.263 -10.666 4.247 324 HG2 GLU 52 HG2 GLU 52 -8.708 -8.322 4.839 325 HG3 GLU 52 HG1 GLU 52 -9.665 -8.152 3.365 326 H ALA 53 HN ALA 53 -6.721 -10.128 0.391 327 HA ALA 53 HA ALA 53 -7.266 -7.595 -0.831 328 HB1 ALA 53 HB1 ALA 53 -6.793 -10.299 -2.095 329 HB2 ALA 53 HB2 ALA 53 -5.557 -9.094 -1.738 330 HB3 ALA 53 HB3 ALA 53 -6.800 -8.752 -2.941 331 H ALA 54 HN ALA 54 -9.145 -6.884 -1.585 332 HA ALA 54 HA ALA 54 -11.302 -8.775 -2.164 333 HB1 ALA 54 HB1 ALA 54 -11.664 -6.459 -0.280 334 HB2 ALA 54 HB2 ALA 54 -11.461 -8.137 0.233 335 HB3 ALA 54 HB3 ALA 54 -12.867 -7.672 -0.725 336 H THR 55 HN THR 55 -13.381 -7.136 -2.688 337 HA THR 55 HA THR 55 -12.478 -5.760 -5.042 338 HB THR 55 HB THR 55 -14.800 -5.359 -5.526 339 HG1 THR 55 HG1 THR 55 -15.706 -6.521 -3.127 340 HG21 THR 55 HG21 THR 55 -15.747 -7.628 -5.437 341 HG22 THR 55 HG22 THR 55 -14.494 -8.097 -4.288 342 HG23 THR 55 HG23 THR 55 -14.056 -7.647 -5.935 343 H LEU 56 HN LEU 56 -13.573 -3.474 -5.356 344 HA LEU 56 HA LEU 56 -12.331 -1.773 -3.508 345 HB2 LEU 56 HB2 LEU 56 -14.543 -1.164 -5.452 346 HB3 LEU 56 HB1 LEU 56 -13.545 0.036 -4.651 347 HG LEU 56 HG LEU 56 -12.851 -1.810 -6.886 348 HD11 LEU 56 HD11 LEU 56 -11.770 0.249 -7.731 349 HD12 LEU 56 HD12 LEU 56 -12.365 1.107 -6.304 350 HD13 LEU 56 HD13 LEU 56 -13.506 0.419 -7.464 351 HD21 LEU 56 HD21 LEU 56 -10.974 -0.786 -4.791 352 HD22 LEU 56 HD22 LEU 56 -10.433 -1.102 -6.439 353 HD23 LEU 56 HD23 LEU 56 -11.106 -2.409 -5.464 354 H GLU 57 HN GLU 57 -15.649 -2.878 -3.823 355 HA GLU 57 HA GLU 57 -16.781 -1.192 -1.869 356 HB2 GLU 57 HB2 GLU 57 -17.599 -3.535 -3.426 357 HB3 GLU 57 HB1 GLU 57 -18.383 -3.407 -1.858 358 HG2 GLU 57 HG2 GLU 57 -19.223 -1.226 -2.391 359 HG3 GLU 57 HG1 GLU 57 -18.287 -1.186 -3.884 360 H ASP 58 HN ASP 58 -15.510 -4.494 -1.693 361 HA ASP 58 HA ASP 58 -16.274 -4.916 1.007 362 HB2 ASP 58 HB2 ASP 58 -14.232 -6.294 -0.735 363 HB3 ASP 58 HB1 ASP 58 -14.633 -6.829 0.893 364 H VAL 59 HN VAL 59 -13.211 -3.936 -0.499 365 HA VAL 59 HA VAL 59 -11.720 -3.951 1.899 366 HB VAL 59 HB VAL 59 -10.064 -2.564 0.716 367 HG11 VAL 59 HG11 VAL 59 -11.116 -4.763 -1.043 368 HG12 VAL 59 HG12 VAL 59 -10.157 -5.020 0.416 369 HG13 VAL 59 HG13 VAL 59 -9.459 -4.164 -0.960 370 HG21 VAL 59 HG21 VAL 59 -12.068 -2.526 -1.531 371 HG22 VAL 59 HG22 VAL 59 -10.418 -1.907 -1.600 372 HG23 VAL 59 HG23 VAL 59 -11.605 -1.144 -0.539 373 H GLY 60 HN GLY 60 -13.659 -1.459 0.330 374 HA2 GLY 60 HA2 GLY 60 -12.862 0.712 1.941 375 HA3 GLY 60 HA1 GLY 60 -14.399 0.577 1.092 376 H ARG 61 HN ARG 61 -15.365 -1.734 2.354 377 HA ARG 61 HA ARG 61 -16.576 -0.597 4.620 378 HB2 ARG 61 HB2 ARG 61 -16.444 -3.474 3.716 379 HB3 ARG 61 HB1 ARG 61 -17.476 -2.892 5.015 380 HG2 ARG 61 HG2 ARG 61 -18.695 -1.491 3.462 381 HG3 ARG 61 HG1 ARG 61 -17.617 -1.976 2.150 382 HD2 ARG 61 HD2 ARG 61 -18.333 -4.310 2.462 383 HD3 ARG 61 HD1 ARG 61 -19.450 -3.784 3.718 384 HE ARG 61 HE ARG 61 -20.296 -2.309 1.692 385 HH11 ARG 61 HH11 ARG 61 -19.373 -5.679 1.765 386 HH12 ARG 61 HH12 ARG 61 -20.451 -6.141 0.490 387 HH21 ARG 61 HH21 ARG 61 -21.742 -2.912 0.020 388 HH22 ARG 61 HH22 ARG 61 -21.800 -4.565 -0.509 389 H GLU 62 HN GLU 62 -13.770 -2.621 4.205 390 HA GLU 62 HA GLU 62 -13.582 -3.548 6.865 391 HB2 GLU 62 HB2 GLU 62 -11.612 -3.367 4.613 392 HB3 GLU 62 HB1 GLU 62 -11.145 -3.964 6.200 393 HG2 GLU 62 HG2 GLU 62 -13.264 -5.119 4.407 394 HG3 GLU 62 HG1 GLU 62 -11.675 -5.807 4.743 395 H ILE 63 HN ILE 63 -12.643 -0.543 5.394 396 HA ILE 63 HA ILE 63 -11.208 0.144 7.872 397 HB ILE 63 HB ILE 63 -10.020 1.863 6.692 398 HG12 ILE 63 HG12 ILE 63 -11.495 1.027 4.188 399 HG13 ILE 63 HG11 ILE 63 -11.864 2.477 5.117 400 HG21 ILE 63 HG21 ILE 63 -10.018 -0.726 5.156 401 HG22 ILE 63 HG22 ILE 63 -9.087 -0.368 6.612 402 HG23 ILE 63 HG23 ILE 63 -8.741 0.491 5.111 403 HD11 ILE 63 HD11 ILE 63 -9.667 3.371 4.653 404 HD12 ILE 63 HD12 ILE 63 -10.480 2.946 3.147 405 HD13 ILE 63 HD13 ILE 63 -9.218 1.896 3.798 406 H GLY 64 HN GLY 64 -14.130 0.475 6.470 407 HA2 GLY 64 HA2 GLY 64 -15.945 1.684 7.242 408 HA3 GLY 64 HA1 GLY 64 -14.858 2.591 8.282 409 H LEU 65 HN LEU 65 -14.242 2.299 4.873 410 HA LEU 65 HA LEU 65 -15.191 5.048 4.498 411 HB2 LEU 65 HB2 LEU 65 -12.506 3.935 3.955 412 HB3 LEU 65 HB1 LEU 65 -13.171 4.996 2.738 413 HG LEU 65 HG LEU 65 -11.877 6.392 4.082 414 HD11 LEU 65 HD11 LEU 65 -14.172 7.226 3.632 415 HD12 LEU 65 HD12 LEU 65 -13.399 7.940 5.046 416 HD13 LEU 65 HD13 LEU 65 -14.629 6.695 5.253 417 HD21 LEU 65 HD21 LEU 65 -13.130 5.097 6.499 418 HD22 LEU 65 HD22 LEU 65 -11.995 6.446 6.534 419 HD23 LEU 65 HD23 LEU 65 -11.476 4.873 5.930 420 H THR 66 HN THR 66 -14.855 5.519 1.959 421 HA THR 66 HA THR 66 -16.815 3.870 0.706 422 HB THR 66 HB THR 66 -15.258 5.766 -0.943 423 HG1 THR 66 HG1 THR 66 -17.011 6.788 1.051 424 HG21 THR 66 HG21 THR 66 -17.489 6.469 -1.641 425 HG22 THR 66 HG22 THR 66 -18.213 5.457 -0.393 426 HG23 THR 66 HG23 THR 66 -17.337 4.715 -1.732 427 H ARG 67 HN ARG 67 -16.489 2.877 -1.440 428 HA ARG 67 HA ARG 67 -14.323 1.128 -1.564 429 HB2 ARG 67 HB2 ARG 67 -15.046 0.716 -3.907 430 HB3 ARG 67 HB1 ARG 67 -16.339 0.593 -2.728 431 HG2 ARG 67 HG2 ARG 67 -17.087 2.856 -3.369 432 HG3 ARG 67 HG1 ARG 67 -15.826 2.889 -4.607 433 HD2 ARG 67 HD2 ARG 67 -16.806 0.932 -5.674 434 HD3 ARG 67 HD1 ARG 67 -18.037 0.847 -4.419 435 HE ARG 67 HE ARG 67 -18.167 3.376 -5.612 436 HH11 ARG 67 HH11 ARG 67 -18.736 0.018 -6.427 437 HH12 ARG 67 HH12 ARG 67 -19.969 0.376 -7.593 438 HH21 ARG 67 HH21 ARG 67 -19.800 3.848 -7.156 439 HH22 ARG 67 HH22 ARG 67 -20.568 2.549 -8.010 440 H GLU 68 HN GLU 68 -14.785 4.307 -2.912 441 HA GLU 68 HA GLU 68 -12.625 4.596 -4.600 442 HB2 GLU 68 HB2 GLU 68 -14.178 6.402 -4.346 443 HB3 GLU 68 HB1 GLU 68 -13.882 6.486 -2.617 444 HG2 GLU 68 HG2 GLU 68 -11.549 7.214 -3.133 445 HG3 GLU 68 HG1 GLU 68 -12.044 7.347 -4.823 446 H ARG 69 HN ARG 69 -12.742 4.897 -1.083 447 HA ARG 69 HA ARG 69 -10.386 6.318 -0.792 448 HB2 ARG 69 HB2 ARG 69 -11.728 4.518 1.218 449 HB3 ARG 69 HB1 ARG 69 -10.523 5.749 1.584 450 HG2 ARG 69 HG2 ARG 69 -13.314 6.133 0.541 451 HG3 ARG 69 HG1 ARG 69 -12.623 6.705 2.062 452 HD2 ARG 69 HD2 ARG 69 -11.616 7.610 -0.624 453 HD3 ARG 69 HD1 ARG 69 -12.895 8.419 0.238 454 HE ARG 69 HE ARG 69 -10.732 8.181 1.967 455 HH11 ARG 69 HH11 ARG 69 -11.555 9.819 -1.020 456 HH12 ARG 69 HH12 ARG 69 -10.566 11.208 -0.671 457 HH21 ARG 69 HH21 ARG 69 -9.413 10.000 2.416 458 HH22 ARG 69 HH22 ARG 69 -9.340 11.303 1.272 459 H VAL 70 HN VAL 70 -10.872 2.783 -0.445 460 HA VAL 70 HA VAL 70 -8.139 2.319 0.176 461 HB VAL 70 HB VAL 70 -10.088 0.337 -0.992 462 HG11 VAL 70 HG11 VAL 70 -7.599 -0.083 0.661 463 HG12 VAL 70 HG12 VAL 70 -7.716 -0.329 -1.080 464 HG13 VAL 70 HG13 VAL 70 -8.654 -1.339 0.018 465 HG21 VAL 70 HG21 VAL 70 -10.977 1.393 1.029 466 HG22 VAL 70 HG22 VAL 70 -9.497 0.981 1.894 467 HG23 VAL 70 HG23 VAL 70 -10.563 -0.298 1.313 468 H ARG 71 HN ARG 71 -9.987 1.995 -2.845 469 HA ARG 71 HA ARG 71 -7.811 1.067 -4.395 470 HB2 ARG 71 HB2 ARG 71 -9.953 0.634 -5.248 471 HB3 ARG 71 HB1 ARG 71 -10.464 2.298 -5.070 472 HG2 ARG 71 HG2 ARG 71 -10.178 1.878 -7.387 473 HG3 ARG 71 HG1 ARG 71 -8.838 2.902 -6.873 474 HD2 ARG 71 HD2 ARG 71 -7.426 0.866 -6.692 475 HD3 ARG 71 HD1 ARG 71 -8.764 -0.076 -7.349 476 HE ARG 71 HE ARG 71 -7.930 2.172 -8.971 477 HH11 ARG 71 HH11 ARG 71 -7.599 -1.262 -8.357 478 HH12 ARG 71 HH12 ARG 71 -6.928 -1.598 -9.920 479 HH21 ARG 71 HH21 ARG 71 -7.052 1.712 -11.030 480 HH22 ARG 71 HH22 ARG 71 -6.631 0.078 -11.435 481 H GLN 72 HN GLN 72 -9.310 4.284 -4.201 482 HA GLN 72 HA GLN 72 -7.587 5.278 -6.256 483 HB2 GLN 72 HB2 GLN 72 -9.691 6.568 -4.533 484 HB3 GLN 72 HB1 GLN 72 -8.808 7.432 -5.798 485 HG2 GLN 72 HG2 GLN 72 -9.617 5.707 -7.410 486 HG3 GLN 72 HG1 GLN 72 -10.615 5.058 -6.108 487 HE21 GLN 72 HE21 GLN 72 -12.517 5.489 -7.212 488 HE22 GLN 72 HE22 GLN 72 -13.133 7.092 -7.405 489 H ILE 73 HN ILE 73 -7.769 5.660 -2.754 490 HA ILE 73 HA ILE 73 -5.659 7.557 -2.613 491 HB ILE 73 HB ILE 73 -6.580 5.579 -0.530 492 HG12 ILE 73 HG12 ILE 73 -7.099 8.542 -0.839 493 HG13 ILE 73 HG11 ILE 73 -8.235 7.274 -1.281 494 HG21 ILE 73 HG21 ILE 73 -4.711 7.934 -0.265 495 HG22 ILE 73 HG22 ILE 73 -4.296 6.234 -0.047 496 HG23 ILE 73 HG23 ILE 73 -5.394 7.026 1.082 497 HD11 ILE 73 HD11 ILE 73 -8.233 6.538 1.084 498 HD12 ILE 73 HD12 ILE 73 -8.867 8.164 0.830 499 HD13 ILE 73 HD13 ILE 73 -7.235 7.941 1.471 500 H GLN 74 HN GLN 74 -5.701 4.040 -2.771 501 HA GLN 74 HA GLN 74 -2.913 3.639 -2.502 502 HB2 GLN 74 HB2 GLN 74 -4.325 1.720 -2.377 503 HB3 GLN 74 HB1 GLN 74 -5.084 2.094 -3.911 504 HG2 GLN 74 HG2 GLN 74 -2.266 1.737 -4.277 505 HG3 GLN 74 HG1 GLN 74 -2.949 0.358 -3.414 506 HE21 GLN 74 HE21 GLN 74 -5.577 0.777 -4.649 507 HE22 GLN 74 HE22 GLN 74 -5.433 0.189 -6.273 508 H VAL 75 HN VAL 75 -5.007 4.307 -5.237 509 HA VAL 75 HA VAL 75 -3.124 4.101 -7.289 510 HB VAL 75 HB VAL 75 -5.609 5.813 -7.148 511 HG11 VAL 75 HG11 VAL 75 -5.532 5.819 -9.591 512 HG12 VAL 75 HG12 VAL 75 -3.998 4.949 -9.545 513 HG13 VAL 75 HG13 VAL 75 -4.101 6.589 -8.902 514 HG21 VAL 75 HG21 VAL 75 -5.169 3.078 -8.350 515 HG22 VAL 75 HG22 VAL 75 -6.682 3.984 -8.336 516 HG23 VAL 75 HG23 VAL 75 -5.991 3.398 -6.823 517 H GLU 76 HN GLU 76 -4.101 6.953 -5.371 518 HA GLU 76 HA GLU 76 -2.295 8.721 -6.678 519 HB2 GLU 76 HB2 GLU 76 -2.746 10.290 -4.904 520 HB3 GLU 76 HB1 GLU 76 -4.246 9.503 -5.349 521 HG2 GLU 76 HG2 GLU 76 -3.995 8.010 -3.397 522 HG3 GLU 76 HG1 GLU 76 -2.573 8.939 -2.922 523 H GLY 77 HN GLY 77 -2.053 6.531 -3.963 524 HA2 GLY 77 HA2 GLY 77 0.457 7.349 -2.995 525 HA3 GLY 77 HA1 GLY 77 -0.243 5.748 -2.809 526 H LEU 78 HN LEU 78 -0.474 5.254 -5.654 527 HA LEU 78 HA LEU 78 1.888 3.860 -6.032 528 HB2 LEU 78 HB2 LEU 78 -0.018 4.806 -8.166 529 HB3 LEU 78 HB1 LEU 78 1.156 3.514 -8.336 530 HG LEU 78 HG LEU 78 -1.267 3.515 -6.540 531 HD11 LEU 78 HD11 LEU 78 -1.780 3.162 -8.887 532 HD12 LEU 78 HD12 LEU 78 -2.002 1.673 -7.968 533 HD13 LEU 78 HD13 LEU 78 -0.569 1.885 -8.974 534 HD21 LEU 78 HD21 LEU 78 -0.633 1.216 -5.983 535 HD22 LEU 78 HD22 LEU 78 0.578 2.379 -5.441 536 HD23 LEU 78 HD23 LEU 78 0.866 1.415 -6.890 537 H ARG 79 HN ARG 79 1.128 7.130 -6.921 538 HA ARG 79 HA ARG 79 3.386 7.471 -8.668 539 HB2 ARG 79 HB2 ARG 79 1.756 9.609 -7.288 540 HB3 ARG 79 HB1 ARG 79 2.753 9.797 -8.725 541 HG2 ARG 79 HG2 ARG 79 1.253 8.369 -9.973 542 HG3 ARG 79 HG1 ARG 79 0.268 8.117 -8.537 543 HD2 ARG 79 HD2 ARG 79 -0.167 10.550 -8.458 544 HD3 ARG 79 HD1 ARG 79 0.741 10.736 -9.958 545 HE ARG 79 HE ARG 79 -1.267 8.827 -10.367 546 HH11 ARG 79 HH11 ARG 79 -0.955 12.261 -9.754 547 HH12 ARG 79 HH12 ARG 79 -2.414 12.672 -10.596 548 HH21 ARG 79 HH21 ARG 79 -3.193 9.372 -11.478 549 HH22 ARG 79 HH22 ARG 79 -3.682 11.035 -11.574 550 H ARG 80 HN ARG 80 2.521 8.778 -5.508 551 HA ARG 80 HA ARG 80 5.015 10.009 -5.045 552 HB2 ARG 80 HB2 ARG 80 4.179 10.330 -2.735 553 HB3 ARG 80 HB1 ARG 80 3.026 10.828 -3.962 554 HG2 ARG 80 HG2 ARG 80 1.993 8.506 -3.657 555 HG3 ARG 80 HG1 ARG 80 2.940 8.433 -2.172 556 HD2 ARG 80 HD2 ARG 80 0.734 9.225 -1.648 557 HD3 ARG 80 HD1 ARG 80 1.874 10.554 -1.454 558 HE ARG 80 HE ARG 80 0.912 10.746 -4.038 559 HH11 ARG 80 HH11 ARG 80 -0.420 10.873 -0.803 560 HH12 ARG 80 HH12 ARG 80 -1.741 11.900 -1.249 561 HH21 ARG 80 HH21 ARG 80 -0.840 12.092 -4.631 562 HH22 ARG 80 HH22 ARG 80 -1.985 12.588 -3.425 563 H LEU 81 HN LEU 81 3.696 6.892 -4.030 564 HA LEU 81 HA LEU 81 5.506 6.205 -2.059 565 HB2 LEU 81 HB2 LEU 81 3.670 4.752 -3.824 566 HB3 LEU 81 HB1 LEU 81 5.016 3.791 -3.240 567 HG LEU 81 HG LEU 81 4.389 4.254 -0.933 568 HD11 LEU 81 HD11 LEU 81 2.308 5.434 -0.408 569 HD12 LEU 81 HD12 LEU 81 2.126 5.856 -2.111 570 HD13 LEU 81 HD13 LEU 81 3.488 6.490 -1.185 571 HD21 LEU 81 HD21 LEU 81 2.064 3.338 -2.613 572 HD22 LEU 81 HD22 LEU 81 2.270 3.042 -0.886 573 HD23 LEU 81 HD23 LEU 81 3.397 2.334 -2.043 574 H ARG 82 HN ARG 82 5.969 6.181 -5.498 575 HA ARG 82 HA ARG 82 8.149 4.410 -5.616 576 HB2 ARG 82 HB2 ARG 82 7.538 6.739 -7.443 577 HB3 ARG 82 HB1 ARG 82 8.604 5.386 -7.806 578 HG2 ARG 82 HG2 ARG 82 6.728 3.850 -7.692 579 HG3 ARG 82 HG1 ARG 82 5.648 5.177 -7.275 580 HD2 ARG 82 HD2 ARG 82 6.218 6.240 -9.453 581 HD3 ARG 82 HD1 ARG 82 7.139 4.792 -9.864 582 HE ARG 82 HE ARG 82 4.266 4.651 -9.222 583 HH11 ARG 82 HH11 ARG 82 6.926 4.013 -11.416 584 HH12 ARG 82 HH12 ARG 82 5.965 3.076 -12.511 585 HH21 ARG 82 HH21 ARG 82 3.001 3.424 -10.679 586 HH22 ARG 82 HH22 ARG 82 3.732 2.754 -12.101 587 H GLU 83 HN GLU 83 7.922 7.769 -4.704 588 HA GLU 83 HA GLU 83 10.595 8.537 -5.140 589 HB2 GLU 83 HB2 GLU 83 8.710 9.565 -3.012 590 HB3 GLU 83 HB1 GLU 83 10.134 10.387 -3.628 591 HG2 GLU 83 HG2 GLU 83 7.677 9.716 -5.230 592 HG3 GLU 83 HG1 GLU 83 8.061 11.296 -4.551 593 H ILE 84 HN ILE 84 9.008 7.391 -2.153 594 HA ILE 84 HA ILE 84 11.370 7.383 -0.608 595 HB ILE 84 HB ILE 84 8.609 6.710 -0.190 596 HG12 ILE 84 HG12 ILE 84 10.346 6.897 2.147 597 HG13 ILE 84 HG11 ILE 84 10.581 8.209 0.996 598 HG21 ILE 84 HG21 ILE 84 10.542 4.824 1.155 599 HG22 ILE 84 HG22 ILE 84 9.384 4.377 -0.098 600 HG23 ILE 84 HG23 ILE 84 8.807 4.956 1.470 601 HD11 ILE 84 HD11 ILE 84 8.198 8.697 1.097 602 HD12 ILE 84 HD12 ILE 84 8.969 8.813 2.679 603 HD13 ILE 84 HD13 ILE 84 7.989 7.403 2.275 604 H LEU 85 HN LEU 85 9.954 5.030 -2.776 605 HA LEU 85 HA LEU 85 11.521 2.865 -1.740 606 HB2 LEU 85 HB2 LEU 85 9.835 3.074 -4.227 607 HB3 LEU 85 HB1 LEU 85 10.582 1.594 -3.641 608 HG LEU 85 HG LEU 85 8.449 3.189 -2.204 609 HD11 LEU 85 HD11 LEU 85 8.356 0.488 -3.536 610 HD12 LEU 85 HD12 LEU 85 7.659 1.976 -4.177 611 HD13 LEU 85 HD13 LEU 85 7.032 1.283 -2.683 612 HD21 LEU 85 HD21 LEU 85 9.764 0.576 -1.457 613 HD22 LEU 85 HD22 LEU 85 8.419 1.341 -0.613 614 HD23 LEU 85 HD23 LEU 85 9.998 2.120 -0.639 615 H GLN 86 HN GLN 86 11.585 4.850 -4.712 616 HA GLN 86 HA GLN 86 13.741 3.496 -5.909 617 HB2 GLN 86 HB2 GLN 86 13.920 5.331 -7.420 618 HB3 GLN 86 HB1 GLN 86 12.211 5.138 -7.054 619 HG2 GLN 86 HG2 GLN 86 12.258 7.017 -5.569 620 HG3 GLN 86 HG1 GLN 86 14.008 7.150 -5.720 621 HE21 GLN 86 HE21 GLN 86 12.021 9.155 -6.253 622 HE22 GLN 86 HE22 GLN 86 12.197 9.600 -7.912 623 H THR 87 HN THR 87 13.625 5.966 -3.459 624 HA THR 87 HA THR 87 16.395 6.676 -3.646 625 HB THR 87 HB THR 87 14.384 8.041 -2.645 626 HG1 THR 87 HG1 THR 87 16.927 8.004 -1.339 627 HG21 THR 87 HG21 THR 87 14.300 7.951 -0.189 628 HG22 THR 87 HG22 THR 87 15.356 6.537 -0.214 629 HG23 THR 87 HG23 THR 87 13.744 6.448 -0.924 630 H GLN 88 HN GLN 88 14.764 4.011 -2.499 631 HA GLN 88 HA GLN 88 16.934 3.295 -0.638 632 HB2 GLN 88 HB2 GLN 88 14.033 2.470 -0.691 633 HB3 GLN 88 HB1 GLN 88 15.236 1.705 0.331 634 HG2 GLN 88 HG2 GLN 88 15.638 3.828 1.459 635 HG3 GLN 88 HG1 GLN 88 14.454 4.609 0.411 636 HE21 GLN 88 HE21 GLN 88 13.128 5.209 2.086 637 HE22 GLN 88 HE22 GLN 88 12.186 4.067 2.980 638 H GLY 89 HN GLY 89 15.905 2.783 -3.695 639 HA2 GLY 89 HA2 GLY 89 16.605 1.204 -5.245 640 HA3 GLY 89 HA1 GLY 89 17.316 0.276 -3.932 641 H LEU 90 HN LEU 90 14.076 1.209 -3.470 642 HA LEU 90 HA LEU 90 13.202 -1.564 -3.877 643 HB2 LEU 90 HB2 LEU 90 11.653 0.586 -2.472 644 HB3 LEU 90 HB1 LEU 90 11.520 -1.150 -2.285 645 HG LEU 90 HG LEU 90 13.873 0.500 -1.357 646 HD11 LEU 90 HD11 LEU 90 11.597 -0.678 0.221 647 HD12 LEU 90 HD12 LEU 90 11.847 1.035 -0.114 648 HD13 LEU 90 HD13 LEU 90 13.005 0.154 0.882 649 HD21 LEU 90 HD21 LEU 90 14.514 -1.504 -0.155 650 HD22 LEU 90 HD22 LEU 90 14.434 -1.811 -1.890 651 HD23 LEU 90 HD23 LEU 90 13.136 -2.366 -0.834 652 H ASN 91 HN ASN 91 11.093 -1.928 -4.884 653 HA ASN 91 HA ASN 91 10.321 0.271 -6.673 654 HB2 ASN 91 HB2 ASN 91 9.892 -1.402 -8.462 655 HB3 ASN 91 HB1 ASN 91 11.584 -1.305 -8.008 656 HD21 ASN 91 HD21 ASN 91 10.070 -3.427 -9.328 657 HD22 ASN 91 HD22 ASN 91 10.285 -4.844 -8.360 658 H ILE 92 HN ILE 92 8.262 0.773 -6.690 659 HA ILE 92 HA ILE 92 6.437 -0.438 -4.896 660 HB ILE 92 HB ILE 92 6.392 1.963 -5.638 661 HG12 ILE 92 HG12 ILE 92 3.850 0.347 -5.876 662 HG13 ILE 92 HG11 ILE 92 4.555 0.966 -4.388 663 HG21 ILE 92 HG21 ILE 92 5.108 2.476 -7.692 664 HG22 ILE 92 HG22 ILE 92 5.163 0.764 -8.114 665 HG23 ILE 92 HG23 ILE 92 6.657 1.695 -8.012 666 HD11 ILE 92 HD11 ILE 92 2.709 2.338 -5.042 667 HD12 ILE 92 HD12 ILE 92 3.412 2.587 -6.642 668 HD13 ILE 92 HD13 ILE 92 4.207 3.253 -5.215 669 H GLU 93 HN GLU 93 7.252 -1.038 -8.176 670 HA GLU 93 HA GLU 93 4.852 -2.205 -9.075 671 HB2 GLU 93 HB2 GLU 93 7.691 -2.759 -9.938 672 HB3 GLU 93 HB1 GLU 93 6.251 -3.261 -10.811 673 HG2 GLU 93 HG2 GLU 93 5.634 -0.918 -11.134 674 HG3 GLU 93 HG1 GLU 93 7.089 -0.423 -10.270 675 H ALA 94 HN ALA 94 7.047 -3.282 -6.736 676 HA ALA 94 HA ALA 94 6.740 -6.111 -7.305 677 HB1 ALA 94 HB1 ALA 94 8.041 -4.759 -4.944 678 HB2 ALA 94 HB2 ALA 94 8.863 -5.229 -6.433 679 HB3 ALA 94 HB3 ALA 94 8.170 -6.463 -5.381 680 H LEU 95 HN LEU 95 4.962 -3.742 -5.791 681 HA LEU 95 HA LEU 95 3.859 -5.325 -3.650 682 HB2 LEU 95 HB2 LEU 95 3.206 -2.628 -4.811 683 HB3 LEU 95 HB1 LEU 95 2.241 -3.361 -3.545 684 HG LEU 95 HG LEU 95 3.833 -1.743 -2.646 685 HD11 LEU 95 HD11 LEU 95 4.819 -3.179 -0.924 686 HD12 LEU 95 HD12 LEU 95 4.457 -4.594 -1.909 687 HD13 LEU 95 HD13 LEU 95 3.143 -3.609 -1.264 688 HD21 LEU 95 HD21 LEU 95 6.000 -3.587 -3.617 689 HD22 LEU 95 HD22 LEU 95 6.209 -2.104 -2.683 690 HD23 LEU 95 HD23 LEU 95 5.600 -2.029 -4.337 691 H PHE 96 HN PHE 96 2.862 -4.184 -6.818 692 HA PHE 96 HA PHE 96 0.472 -5.855 -6.686 693 HB2 PHE 96 HB2 PHE 96 0.530 -4.668 -9.195 694 HB3 PHE 96 HB1 PHE 96 -0.433 -4.160 -7.817 695 HD1 PHE 96 HD1 PHE 96 0.685 -2.496 -6.188 696 HD2 PHE 96 HD2 PHE 96 2.029 -3.204 -10.164 697 HE1 PHE 96 HE1 PHE 96 1.805 -0.311 -6.194 698 HE2 PHE 96 HE2 PHE 96 3.161 -1.018 -10.173 699 HZ PHE 96 HZ PHE 96 3.049 0.433 -8.185 700 H ARG 97 HN ARG 97 3.501 -6.449 -7.259 701 HA ARG 97 HA ARG 97 3.429 -7.746 -9.814 702 HB2 ARG 97 HB2 ARG 97 5.486 -6.768 -8.836 703 HB3 ARG 97 HB1 ARG 97 5.427 -7.973 -7.563 704 HG2 ARG 97 HG2 ARG 97 7.045 -8.653 -9.183 705 HG3 ARG 97 HG1 ARG 97 5.653 -9.731 -9.306 706 HD2 ARG 97 HD2 ARG 97 4.859 -8.594 -11.250 707 HD3 ARG 97 HD1 ARG 97 6.067 -7.328 -11.069 708 HE ARG 97 HE ARG 97 7.706 -9.284 -11.421 709 HH11 ARG 97 HH11 ARG 97 4.545 -9.070 -12.887 710 HH12 ARG 97 HH12 ARG 97 5.025 -9.863 -14.351 711 HH21 ARG 97 HH21 ARG 97 8.359 -10.325 -13.355 712 HH22 ARG 97 HH22 ARG 97 7.199 -10.582 -14.619 713 H GLU 98 HN GLU 98 1.590 -9.080 -9.496 714 HA GLU 98 HA GLU 98 2.099 -11.444 -7.818 715 HB2 GLU 98 HB2 GLU 98 -0.565 -10.243 -8.592 716 HB3 GLU 98 HB1 GLU 98 -0.347 -11.715 -7.664 717 HG2 GLU 98 HG2 GLU 98 0.781 -10.371 -5.901 718 HG3 GLU 98 HG1 GLU 98 0.385 -8.917 -6.821 Start of MODEL 4 1 H1 GLY 13 HT1 GLY 13 17.951 -2.885 1.832 2 H2 GLY 13 HT2 GLY 13 16.493 -2.501 2.597 3 H3 GLY 13 HT3 GLY 13 17.768 -3.177 3.489 4 HA2 GLY 13 HA1 GLY 13 19.131 -1.199 3.005 5 HA3 GLY 13 HA2 GLY 13 17.720 -0.494 2.232 6 HA PRO 14 HA PRO 14 16.905 1.260 6.251 7 HB2 PRO 14 HB2 PRO 14 14.537 2.409 5.688 8 HB3 PRO 14 HB1 PRO 14 16.040 3.011 4.989 9 HG2 PRO 14 HG2 PRO 14 14.010 1.160 3.779 10 HG3 PRO 14 HG1 PRO 14 14.744 2.617 3.078 11 HD2 PRO 14 HD2 PRO 14 15.649 0.151 2.492 12 HD3 PRO 14 HD1 PRO 14 16.740 1.545 2.621 13 H GLU 15 HN GLU 15 13.949 1.511 6.871 14 HA GLU 15 HA GLU 15 13.261 -0.623 8.397 15 HB2 GLU 15 HB2 GLU 15 11.879 1.417 8.112 16 HB3 GLU 15 HB1 GLU 15 11.391 0.854 6.524 17 HG2 GLU 15 HG2 GLU 15 9.605 0.380 7.979 18 HG3 GLU 15 HG1 GLU 15 10.402 -1.159 7.659 19 H ASP 16 HN ASP 16 12.748 -0.262 4.961 20 HA ASP 16 HA ASP 16 11.619 -2.433 3.961 21 HB2 ASP 16 HB2 ASP 16 12.543 -0.931 2.435 22 HB3 ASP 16 HB1 ASP 16 14.125 -0.997 3.204 23 H THR 17 HN THR 17 15.119 -2.488 4.516 24 HA THR 17 HA THR 17 16.654 -4.082 4.478 25 HB THR 17 HB THR 17 16.415 -5.967 5.956 26 HG1 THR 17 HG1 THR 17 13.705 -5.295 5.839 27 HG21 THR 17 HG21 THR 17 16.042 -4.719 8.041 28 HG22 THR 17 HG22 THR 17 15.360 -3.394 7.094 29 HG23 THR 17 HG23 THR 17 17.055 -3.838 6.895 30 H THR 18 HN THR 18 13.507 -5.554 3.669 31 HA THR 18 HA THR 18 14.920 -7.136 1.624 32 HB THR 18 HB THR 18 12.578 -8.118 3.269 33 HG1 THR 18 HG1 THR 18 15.363 -8.391 3.541 34 HG21 THR 18 HG21 THR 18 13.051 -10.281 2.215 35 HG22 THR 18 HG22 THR 18 14.339 -9.539 1.265 36 HG23 THR 18 HG23 THR 18 12.663 -9.057 1.006 37 H GLN 19 HN GLN 19 14.123 -6.839 -0.374 38 HA GLN 19 HA GLN 19 11.739 -5.149 -0.570 39 HB2 GLN 19 HB2 GLN 19 13.846 -5.663 -2.668 40 HB3 GLN 19 HB1 GLN 19 12.582 -4.438 -2.716 41 HG2 GLN 19 HG2 GLN 19 14.242 -3.116 -1.966 42 HG3 GLN 19 HG1 GLN 19 13.740 -3.769 -0.400 43 HE21 GLN 19 HE21 GLN 19 15.706 -3.593 0.568 44 HE22 GLN 19 HE22 GLN 19 17.086 -4.549 0.115 45 H ASP 20 HN ASP 20 10.154 -6.634 -0.460 46 HA ASP 20 HA ASP 20 9.314 -7.751 -2.922 47 HB2 ASP 20 HB2 ASP 20 10.951 -9.523 -2.227 48 HB3 ASP 20 HB1 ASP 20 9.970 -9.804 -0.797 49 H ASP 21 HN ASP 21 8.341 -9.627 -0.186 50 HA ASP 21 HA ASP 21 5.824 -8.208 -0.053 51 HB2 ASP 21 HB2 ASP 21 5.022 -9.928 1.335 52 HB3 ASP 21 HB1 ASP 21 6.128 -10.758 0.251 53 H ASP 22 HN ASP 22 8.801 -8.429 1.692 54 HA ASP 22 HA ASP 22 7.999 -6.802 3.893 55 HB2 ASP 22 HB2 ASP 22 10.681 -7.629 2.814 56 HB3 ASP 22 HB1 ASP 22 10.543 -6.459 4.121 57 H MET 23 HN MET 23 8.884 -6.205 0.625 58 HA MET 23 HA MET 23 9.640 -3.510 0.843 59 HB2 MET 23 HB2 MET 23 9.933 -4.610 -1.269 60 HB3 MET 23 HB1 MET 23 8.216 -4.957 -1.388 61 HG2 MET 23 HG2 MET 23 9.071 -3.087 -2.825 62 HG3 MET 23 HG1 MET 23 7.688 -2.696 -1.808 63 HE1 MET 23 HE1 MET 23 11.999 -1.521 -0.729 64 HE2 MET 23 HE2 MET 23 11.606 -2.257 -2.284 65 HE3 MET 23 HE3 MET 23 11.369 -3.164 -0.792 66 H LYS 24 HN LYS 24 6.569 -5.151 0.893 67 HA LYS 24 HA LYS 24 4.907 -2.880 0.805 68 HB2 LYS 24 HB2 LYS 24 4.017 -5.131 0.500 69 HB3 LYS 24 HB1 LYS 24 4.470 -5.553 2.147 70 HG2 LYS 24 HG2 LYS 24 2.063 -5.040 1.850 71 HG3 LYS 24 HG1 LYS 24 2.874 -4.029 3.049 72 HD2 LYS 24 HD2 LYS 24 3.189 -2.329 1.203 73 HD3 LYS 24 HD1 LYS 24 2.071 -3.302 0.244 74 HE2 LYS 24 HE2 LYS 24 1.035 -1.395 1.457 75 HE3 LYS 24 HE1 LYS 24 0.333 -2.970 1.815 76 HZ1 LYS 24 HZ1 LYS 24 2.363 -1.609 3.498 77 HZ2 LYS 24 HZ2 LYS 24 1.552 -3.048 3.864 78 HZ3 LYS 24 HZ3 LYS 24 0.696 -1.589 3.801 79 H GLN 25 HN GLN 25 6.698 -4.455 3.331 80 HA GLN 25 HA GLN 25 5.731 -2.891 5.487 81 HB2 GLN 25 HB2 GLN 25 6.732 -4.934 6.049 82 HB3 GLN 25 HB1 GLN 25 8.140 -4.623 5.047 83 HG2 GLN 25 HG2 GLN 25 7.956 -2.607 7.054 84 HG3 GLN 25 HG1 GLN 25 7.836 -4.201 7.805 85 HE21 GLN 25 HE21 GLN 25 9.527 -3.550 4.822 86 HE22 GLN 25 HE22 GLN 25 11.124 -3.855 5.423 87 H SER 26 HN SER 26 8.290 -2.424 3.076 88 HA SER 26 HA SER 26 9.401 -0.105 4.243 89 HB2 SER 26 HB2 SER 26 10.432 -1.321 2.330 90 HB3 SER 26 HB1 SER 26 9.143 -0.738 1.289 91 HG SER 26 HG SER 26 10.663 0.748 1.004 92 H ILE 27 HN ILE 27 6.492 -0.689 2.402 93 HA ILE 27 HA ILE 27 5.859 2.082 2.014 94 HB ILE 27 HB ILE 27 3.827 -0.132 2.048 95 HG12 ILE 27 HG12 ILE 27 5.730 -0.872 0.659 96 HG13 ILE 27 HG11 ILE 27 4.290 -0.554 -0.303 97 HG21 ILE 27 HG21 ILE 27 4.037 2.446 0.498 98 HG22 ILE 27 HG22 ILE 27 3.002 2.154 1.895 99 HG23 ILE 27 HG23 ILE 27 2.718 1.286 0.390 100 HD11 ILE 27 HD11 ILE 27 5.237 1.613 -0.962 101 HD12 ILE 27 HD12 ILE 27 6.252 0.250 -1.439 102 HD13 ILE 27 HD13 ILE 27 6.694 1.236 -0.041 103 H VAL 28 HN VAL 28 5.678 -0.092 4.624 104 HA VAL 28 HA VAL 28 3.629 1.172 6.126 105 HB VAL 28 HB VAL 28 5.996 -0.521 6.933 106 HG11 VAL 28 HG11 VAL 28 3.805 0.514 8.725 107 HG12 VAL 28 HG12 VAL 28 5.495 1.023 8.763 108 HG13 VAL 28 HG13 VAL 28 5.062 -0.639 9.174 109 HG21 VAL 28 HG21 VAL 28 3.026 -1.073 6.944 110 HG22 VAL 28 HG22 VAL 28 4.304 -2.216 7.356 111 HG23 VAL 28 HG23 VAL 28 4.155 -1.616 5.704 112 H LYS 29 HN LYS 29 7.028 1.746 5.604 113 HA LYS 29 HA LYS 29 7.454 3.863 7.382 114 HB2 LYS 29 HB2 LYS 29 9.435 3.269 6.436 115 HB3 LYS 29 HB1 LYS 29 8.684 2.793 4.924 116 HG2 LYS 29 HG2 LYS 29 10.068 4.559 4.343 117 HG3 LYS 29 HG1 LYS 29 8.470 5.296 4.455 118 HD2 LYS 29 HD2 LYS 29 9.026 6.043 6.747 119 HD3 LYS 29 HD1 LYS 29 10.652 5.390 6.533 120 HE2 LYS 29 HE2 LYS 29 10.873 6.865 4.516 121 HE3 LYS 29 HE1 LYS 29 9.349 7.618 4.986 122 HZ1 LYS 29 HZ1 LYS 29 10.386 8.180 7.132 123 HZ2 LYS 29 HZ2 LYS 29 11.161 8.915 5.822 124 HZ3 LYS 29 HZ3 LYS 29 11.859 7.569 6.565 125 H TRP 30 HN TRP 30 5.914 3.724 4.221 126 HA TRP 30 HA TRP 30 5.679 6.497 3.756 127 HB2 TRP 30 HB2 TRP 30 4.523 4.036 2.620 128 HB3 TRP 30 HB1 TRP 30 3.513 5.469 2.461 129 HD1 TRP 30 HD1 TRP 30 6.318 3.731 0.783 130 HE1 TRP 30 HE1 TRP 30 7.341 5.241 -1.019 131 HE3 TRP 30 HE3 TRP 30 4.159 8.179 2.101 132 HZ2 TRP 30 HZ2 TRP 30 7.255 7.952 -1.780 133 HZ3 TRP 30 HZ3 TRP 30 4.684 10.177 0.779 134 HH2 TRP 30 HH2 TRP 30 6.205 10.067 -1.120 135 H LEU 31 HN LEU 31 3.975 4.333 5.834 136 HA LEU 31 HA LEU 31 1.546 5.771 6.076 137 HB2 LEU 31 HB2 LEU 31 1.010 3.901 7.155 138 HB3 LEU 31 HB1 LEU 31 2.687 3.395 7.131 139 HG LEU 31 HG LEU 31 2.927 4.836 9.275 140 HD11 LEU 31 HD11 LEU 31 0.734 5.932 9.090 141 HD12 LEU 31 HD12 LEU 31 0.927 5.056 10.608 142 HD13 LEU 31 HD13 LEU 31 -0.049 4.366 9.313 143 HD21 LEU 31 HD21 LEU 31 2.246 2.941 10.651 144 HD22 LEU 31 HD22 LEU 31 3.109 2.412 9.207 145 HD23 LEU 31 HD23 LEU 31 1.354 2.266 9.288 146 H PHE 32 HN PHE 32 4.607 5.859 7.820 147 HA PHE 32 HA PHE 32 3.707 7.923 9.621 148 HB2 PHE 32 HB2 PHE 32 6.466 6.811 9.063 149 HB3 PHE 32 HB1 PHE 32 6.106 7.998 10.312 150 HD1 PHE 32 HD1 PHE 32 6.119 4.511 9.426 151 HD2 PHE 32 HD2 PHE 32 4.601 7.359 12.201 152 HE1 PHE 32 HE1 PHE 32 5.608 2.695 11.006 153 HE2 PHE 32 HE2 PHE 32 4.088 5.548 13.785 154 HZ PHE 32 HZ PHE 32 4.593 3.214 13.188 155 H GLU 33 HN GLU 33 4.344 7.922 6.438 156 HA GLU 33 HA GLU 33 5.828 10.441 6.433 157 HB2 GLU 33 HB2 GLU 33 6.574 8.447 5.047 158 HB3 GLU 33 HB1 GLU 33 5.160 8.739 4.041 159 HG2 GLU 33 HG2 GLU 33 7.091 9.742 3.031 160 HG3 GLU 33 HG1 GLU 33 5.990 11.006 3.575 161 H LEU 34 HN LEU 34 2.952 8.979 4.808 162 HA LEU 34 HA LEU 34 2.034 11.759 4.452 163 HB2 LEU 34 HB2 LEU 34 2.429 9.689 2.507 164 HB3 LEU 34 HB1 LEU 34 0.763 10.243 2.502 165 HG LEU 34 HG LEU 34 1.503 12.545 2.161 166 HD11 LEU 34 HD11 LEU 34 3.892 12.981 1.630 167 HD12 LEU 34 HD12 LEU 34 4.269 11.363 2.220 168 HD13 LEU 34 HD13 LEU 34 3.594 12.564 3.317 169 HD21 LEU 34 HD21 LEU 34 1.069 11.189 0.206 170 HD22 LEU 34 HD22 LEU 34 2.732 10.604 0.225 171 HD23 LEU 34 HD23 LEU 34 2.400 12.305 -0.102 172 H ASN 35 HN ASN 35 1.038 8.467 5.160 173 HA ASN 35 HA ASN 35 -0.803 9.155 7.070 174 HB2 ASN 35 HB2 ASN 35 -2.994 8.748 5.951 175 HB3 ASN 35 HB1 ASN 35 -2.212 10.233 5.434 176 HD21 ASN 35 HD21 ASN 35 -3.419 10.291 3.559 177 HD22 ASN 35 HD22 ASN 35 -3.120 9.226 2.229 178 H ALA 36 HN ALA 36 -2.251 7.348 7.687 179 HA ALA 36 HA ALA 36 -0.898 4.860 7.513 180 HB1 ALA 36 HB1 ALA 36 -2.726 3.970 8.829 181 HB2 ALA 36 HB2 ALA 36 -3.697 5.401 8.490 182 HB3 ALA 36 HB3 ALA 36 -2.237 5.540 9.470 183 H LYS 37 HN LYS 37 -3.357 6.391 5.674 184 HA LYS 37 HA LYS 37 -4.666 4.284 4.490 185 HB2 LYS 37 HB2 LYS 37 -3.862 6.944 3.332 186 HB3 LYS 37 HB1 LYS 37 -4.907 5.805 2.493 187 HG2 LYS 37 HG2 LYS 37 -5.501 6.910 5.224 188 HG3 LYS 37 HG1 LYS 37 -6.094 7.620 3.723 189 HD2 LYS 37 HD2 LYS 37 -7.472 5.815 3.263 190 HD3 LYS 37 HD1 LYS 37 -6.553 4.720 4.295 191 HE2 LYS 37 HE2 LYS 37 -8.227 7.021 5.289 192 HE3 LYS 37 HE1 LYS 37 -8.759 5.340 5.238 193 HZ1 LYS 37 HZ1 LYS 37 -6.855 4.786 6.689 194 HZ2 LYS 37 HZ2 LYS 37 -7.967 5.836 7.422 195 HZ3 LYS 37 HZ3 LYS 37 -6.506 6.440 6.825 196 H GLN 38 HN GLN 38 -1.630 5.825 3.318 197 HA GLN 38 HA GLN 38 -1.396 4.258 1.036 198 HB2 GLN 38 HB2 GLN 38 0.777 5.519 2.703 199 HB3 GLN 38 HB1 GLN 38 1.041 4.794 1.120 200 HG2 GLN 38 HG2 GLN 38 -0.748 7.140 1.709 201 HG3 GLN 38 HG1 GLN 38 0.834 7.198 0.929 202 HE21 GLN 38 HE21 GLN 38 -1.745 8.074 -0.110 203 HE22 GLN 38 HE22 GLN 38 -2.037 7.153 -1.546 204 H ARG 39 HN ARG 39 -0.237 3.534 4.328 205 HA ARG 39 HA ARG 39 1.023 1.117 3.532 206 HB2 ARG 39 HB2 ARG 39 1.343 0.592 5.804 207 HB3 ARG 39 HB1 ARG 39 1.450 2.338 5.711 208 HG2 ARG 39 HG2 ARG 39 0.153 2.176 7.554 209 HG3 ARG 39 HG1 ARG 39 -1.125 2.141 6.344 210 HD2 ARG 39 HD2 ARG 39 -1.593 0.400 7.893 211 HD3 ARG 39 HD1 ARG 39 -0.991 -0.373 6.428 212 HE ARG 39 HE ARG 39 1.176 0.042 8.145 213 HH11 ARG 39 HH11 ARG 39 -1.780 -1.867 8.065 214 HH12 ARG 39 HH12 ARG 39 -1.119 -3.135 9.053 215 HH21 ARG 39 HH21 ARG 39 2.021 -1.639 9.441 216 HH22 ARG 39 HH22 ARG 39 1.024 -3.004 9.829 217 H GLU 40 HN GLU 40 -2.280 1.794 4.673 218 HA GLU 40 HA GLU 40 -2.868 -1.022 4.810 219 HB2 GLU 40 HB2 GLU 40 -5.118 -0.371 5.457 220 HB3 GLU 40 HB1 GLU 40 -3.903 0.466 6.408 221 HG2 GLU 40 HG2 GLU 40 -4.215 2.444 4.929 222 HG3 GLU 40 HG1 GLU 40 -5.557 1.594 4.166 223 H VAL 41 HN VAL 41 -3.658 1.575 2.512 224 HA VAL 41 HA VAL 41 -5.740 0.259 1.220 225 HB VAL 41 HB VAL 41 -5.350 1.801 -0.664 226 HG11 VAL 41 HG11 VAL 41 -5.920 3.803 0.534 227 HG12 VAL 41 HG12 VAL 41 -5.233 3.145 2.020 228 HG13 VAL 41 HG13 VAL 41 -6.678 2.415 1.319 229 HG21 VAL 41 HG21 VAL 41 -2.988 2.730 0.957 230 HG22 VAL 41 HG22 VAL 41 -3.629 3.535 -0.476 231 HG23 VAL 41 HG23 VAL 41 -2.919 1.924 -0.610 232 H LEU 42 HN LEU 42 -2.273 0.298 0.329 233 HA LEU 42 HA LEU 42 -2.516 -1.280 -1.982 234 HB2 LEU 42 HB2 LEU 42 -0.219 -1.494 -0.057 235 HB3 LEU 42 HB1 LEU 42 -0.205 -1.787 -1.777 236 HG LEU 42 HG LEU 42 -0.459 0.902 -0.444 237 HD11 LEU 42 HD11 LEU 42 1.738 -0.181 -0.290 238 HD12 LEU 42 HD12 LEU 42 1.763 1.255 -1.310 239 HD13 LEU 42 HD13 LEU 42 1.760 -0.346 -2.042 240 HD21 LEU 42 HD21 LEU 42 -1.694 0.867 -2.537 241 HD22 LEU 42 HD22 LEU 42 -0.310 0.155 -3.365 242 HD23 LEU 42 HD23 LEU 42 -0.206 1.794 -2.720 243 H ALA 43 HN ALA 43 -1.925 -2.113 1.375 244 HA ALA 43 HA ALA 43 -1.468 -4.847 1.031 245 HB1 ALA 43 HB1 ALA 43 -1.887 -5.021 3.436 246 HB2 ALA 43 HB2 ALA 43 -2.577 -3.395 3.440 247 HB3 ALA 43 HB3 ALA 43 -0.869 -3.631 3.067 248 H ARG 44 HN ARG 44 -4.426 -2.996 1.392 249 HA ARG 44 HA ARG 44 -5.982 -5.357 1.907 250 HB2 ARG 44 HB2 ARG 44 -6.406 -3.101 2.918 251 HB3 ARG 44 HB1 ARG 44 -6.966 -2.571 1.339 252 HG2 ARG 44 HG2 ARG 44 -8.805 -3.983 1.388 253 HG3 ARG 44 HG1 ARG 44 -8.138 -4.963 2.693 254 HD2 ARG 44 HD2 ARG 44 -8.886 -2.068 3.002 255 HD3 ARG 44 HD1 ARG 44 -9.988 -3.396 3.351 256 HE ARG 44 HE ARG 44 -7.909 -2.433 5.018 257 HH11 ARG 44 HH11 ARG 44 -9.430 -5.443 4.038 258 HH12 ARG 44 HH12 ARG 44 -9.113 -6.236 5.547 259 HH21 ARG 44 HH21 ARG 44 -7.504 -3.490 7.003 260 HH22 ARG 44 HH22 ARG 44 -8.016 -5.131 7.222 261 H ARG 45 HN ARG 45 -5.253 -3.336 -0.884 262 HA ARG 45 HA ARG 45 -7.237 -4.761 -2.452 263 HB2 ARG 45 HB2 ARG 45 -5.423 -2.456 -2.968 264 HB3 ARG 45 HB1 ARG 45 -6.042 -3.367 -4.341 265 HG2 ARG 45 HG2 ARG 45 -7.768 -2.135 -2.202 266 HG3 ARG 45 HG1 ARG 45 -7.409 -1.383 -3.758 267 HD2 ARG 45 HD2 ARG 45 -8.794 -4.047 -3.366 268 HD3 ARG 45 HD1 ARG 45 -9.583 -2.522 -3.772 269 HE ARG 45 HE ARG 45 -8.322 -2.556 -5.881 270 HH11 ARG 45 HH11 ARG 45 -8.767 -5.585 -4.168 271 HH12 ARG 45 HH12 ARG 45 -8.484 -6.557 -5.571 272 HH21 ARG 45 HH21 ARG 45 -7.994 -3.850 -7.725 273 HH22 ARG 45 HH22 ARG 45 -8.058 -5.576 -7.589 274 H PHE 46 HN PHE 46 -3.871 -5.049 -1.741 275 HA PHE 46 HA PHE 46 -3.546 -6.902 -3.988 276 HB2 PHE 46 HB2 PHE 46 -1.469 -5.836 -2.060 277 HB3 PHE 46 HB1 PHE 46 -1.137 -6.906 -3.414 278 HD1 PHE 46 HD1 PHE 46 -0.219 -3.942 -2.597 279 HD2 PHE 46 HD2 PHE 46 -2.877 -5.629 -5.456 280 HE1 PHE 46 HE1 PHE 46 0.085 -1.979 -4.039 281 HE2 PHE 46 HE2 PHE 46 -2.580 -3.676 -6.907 282 HZ PHE 46 HZ PHE 46 -0.958 -1.834 -6.157 283 H GLY 47 HN GLY 47 -3.886 -6.833 -0.549 284 HA2 GLY 47 HA2 GLY 47 -4.455 -8.697 0.769 285 HA3 GLY 47 HA1 GLY 47 -3.823 -9.753 -0.484 286 H LEU 48 HN LEU 48 -1.942 -7.048 0.515 287 HA LEU 48 HA LEU 48 0.150 -8.849 1.439 288 HB2 LEU 48 HB2 LEU 48 0.300 -5.853 1.163 289 HB3 LEU 48 HB1 LEU 48 1.634 -6.985 1.247 290 HG LEU 48 HG LEU 48 -0.314 -6.756 -1.039 291 HD11 LEU 48 HD11 LEU 48 2.548 -5.858 -0.794 292 HD12 LEU 48 HD12 LEU 48 1.127 -4.815 -0.909 293 HD13 LEU 48 HD13 LEU 48 1.590 -5.835 -2.274 294 HD21 LEU 48 HD21 LEU 48 2.193 -8.404 -0.744 295 HD22 LEU 48 HD22 LEU 48 1.224 -8.256 -2.210 296 HD23 LEU 48 HD23 LEU 48 0.541 -9.023 -0.776 297 H LEU 49 HN LEU 49 1.490 -8.021 3.338 298 HA LEU 49 HA LEU 49 1.669 -7.681 5.574 299 HB2 LEU 49 HB2 LEU 49 0.667 -5.375 4.440 300 HB3 LEU 49 HB1 LEU 49 -0.445 -5.667 5.761 301 HG LEU 49 HG LEU 49 1.298 -4.158 6.468 302 HD11 LEU 49 HD11 LEU 49 0.442 -5.673 8.151 303 HD12 LEU 49 HD12 LEU 49 2.153 -5.347 8.424 304 HD13 LEU 49 HD13 LEU 49 1.651 -6.878 7.707 305 HD21 LEU 49 HD21 LEU 49 3.244 -6.344 5.753 306 HD22 LEU 49 HD22 LEU 49 3.643 -4.821 6.547 307 HD23 LEU 49 HD23 LEU 49 3.034 -4.821 4.892 308 H GLY 50 HN GLY 50 -0.287 -9.645 4.659 309 HA2 GLY 50 HA2 GLY 50 -1.649 -11.135 5.782 310 HA3 GLY 50 HA1 GLY 50 -1.563 -10.095 7.192 311 H TYR 51 HN TYR 51 -2.486 -8.186 4.642 312 HA TYR 51 HA TYR 51 -5.177 -7.984 5.587 313 HB2 TYR 51 HB2 TYR 51 -3.698 -6.738 3.294 314 HB3 TYR 51 HB1 TYR 51 -5.423 -6.504 3.503 315 HD1 TYR 51 HD1 TYR 51 -5.882 -4.384 4.316 316 HD2 TYR 51 HD2 TYR 51 -2.516 -6.486 5.827 317 HE1 TYR 51 HE1 TYR 51 -5.444 -2.547 5.884 318 HE2 TYR 51 HE2 TYR 51 -2.060 -4.655 7.390 319 HH TYR 51 HH TYR 51 -2.534 -2.273 7.656 320 H GLU 52 HN GLU 52 -7.014 -7.997 3.984 321 HA GLU 52 HA GLU 52 -6.842 -10.435 2.365 322 HB2 GLU 52 HB2 GLU 52 -9.341 -10.479 2.578 323 HB3 GLU 52 HB1 GLU 52 -8.474 -10.690 4.092 324 HG2 GLU 52 HG2 GLU 52 -8.869 -8.298 4.601 325 HG3 GLU 52 HG1 GLU 52 -9.833 -8.180 3.127 326 H ALA 53 HN ALA 53 -6.714 -10.139 0.262 327 HA ALA 53 HA ALA 53 -7.250 -7.625 -0.985 328 HB1 ALA 53 HB1 ALA 53 -6.722 -8.781 -3.078 329 HB2 ALA 53 HB2 ALA 53 -6.743 -10.328 -2.232 330 HB3 ALA 53 HB3 ALA 53 -5.517 -9.123 -1.836 331 H ALA 54 HN ALA 54 -9.123 -6.895 -1.750 332 HA ALA 54 HA ALA 54 -11.289 -8.758 -2.364 333 HB1 ALA 54 HB1 ALA 54 -11.406 -8.345 0.071 334 HB2 ALA 54 HB2 ALA 54 -12.831 -7.782 -0.799 335 HB3 ALA 54 HB3 ALA 54 -11.609 -6.625 -0.268 336 H THR 55 HN THR 55 -13.418 -7.061 -2.599 337 HA THR 55 HA THR 55 -12.668 -5.581 -4.942 338 HB THR 55 HB THR 55 -15.030 -5.131 -5.220 339 HG1 THR 55 HG1 THR 55 -15.823 -6.515 -2.922 340 HG21 THR 55 HG21 THR 55 -14.634 -7.958 -4.237 341 HG22 THR 55 HG22 THR 55 -14.274 -7.371 -5.858 342 HG23 THR 55 HG23 THR 55 -15.940 -7.402 -5.283 343 H LEU 56 HN LEU 56 -13.671 -3.295 -5.121 344 HA LEU 56 HA LEU 56 -12.432 -1.654 -3.219 345 HB2 LEU 56 HB2 LEU 56 -14.669 -0.988 -5.117 346 HB3 LEU 56 HB1 LEU 56 -13.635 0.182 -4.313 347 HG LEU 56 HG LEU 56 -12.955 -1.705 -6.536 348 HD11 LEU 56 HD11 LEU 56 -13.769 0.489 -7.155 349 HD12 LEU 56 HD12 LEU 56 -12.057 0.335 -7.547 350 HD13 LEU 56 HD13 LEU 56 -12.556 1.253 -6.127 351 HD21 LEU 56 HD21 LEU 56 -10.572 -0.859 -6.164 352 HD22 LEU 56 HD22 LEU 56 -11.168 -2.134 -5.106 353 HD23 LEU 56 HD23 LEU 56 -11.108 -0.471 -4.527 354 H GLU 57 HN GLU 57 -15.714 -2.815 -3.561 355 HA GLU 57 HA GLU 57 -16.922 -1.315 -1.521 356 HB2 GLU 57 HB2 GLU 57 -17.525 -3.883 -2.914 357 HB3 GLU 57 HB1 GLU 57 -18.446 -3.469 -1.478 358 HG2 GLU 57 HG2 GLU 57 -19.090 -1.342 -2.540 359 HG3 GLU 57 HG1 GLU 57 -18.203 -1.821 -3.985 360 H ASP 58 HN ASP 58 -15.530 -4.599 -1.446 361 HA ASP 58 HA ASP 58 -16.151 -5.068 1.269 362 HB2 ASP 58 HB2 ASP 58 -14.161 -6.352 -0.592 363 HB3 ASP 58 HB1 ASP 58 -14.385 -6.890 1.068 364 H VAL 59 HN VAL 59 -13.218 -3.890 -0.321 365 HA VAL 59 HA VAL 59 -11.628 -3.953 2.022 366 HB VAL 59 HB VAL 59 -10.014 -2.589 0.792 367 HG11 VAL 59 HG11 VAL 59 -9.545 -4.146 -0.978 368 HG12 VAL 59 HG12 VAL 59 -11.216 -4.705 -0.977 369 HG13 VAL 59 HG13 VAL 59 -10.179 -5.032 0.411 370 HG21 VAL 59 HG21 VAL 59 -11.571 -1.090 -0.339 371 HG22 VAL 59 HG22 VAL 59 -12.129 -2.426 -1.345 372 HG23 VAL 59 HG23 VAL 59 -10.468 -1.850 -1.487 373 H GLY 60 HN GLY 60 -13.646 -1.452 0.562 374 HA2 GLY 60 HA2 GLY 60 -12.788 0.689 2.207 375 HA3 GLY 60 HA1 GLY 60 -14.326 0.595 1.355 376 H ARG 61 HN ARG 61 -15.301 -1.748 2.562 377 HA ARG 61 HA ARG 61 -16.506 -0.645 4.854 378 HB2 ARG 61 HB2 ARG 61 -16.458 -3.480 3.828 379 HB3 ARG 61 HB1 ARG 61 -17.469 -2.933 5.160 380 HG2 ARG 61 HG2 ARG 61 -18.646 -1.425 3.712 381 HG3 ARG 61 HG1 ARG 61 -17.567 -1.810 2.372 382 HD2 ARG 61 HD2 ARG 61 -18.348 -4.148 2.468 383 HD3 ARG 61 HD1 ARG 61 -19.485 -3.692 3.736 384 HE ARG 61 HE ARG 61 -20.449 -2.125 2.038 385 HH11 ARG 61 HH11 ARG 61 -18.816 -5.077 1.098 386 HH12 ARG 61 HH12 ARG 61 -19.565 -5.145 -0.464 387 HH21 ARG 61 HH21 ARG 61 -21.439 -2.207 0.004 388 HH22 ARG 61 HH22 ARG 61 -21.049 -3.486 -1.107 389 H GLU 62 HN GLU 62 -13.745 -2.729 4.418 390 HA GLU 62 HA GLU 62 -13.582 -3.722 7.050 391 HB2 GLU 62 HB2 GLU 62 -11.486 -3.349 4.918 392 HB3 GLU 62 HB1 GLU 62 -11.160 -4.126 6.461 393 HG2 GLU 62 HG2 GLU 62 -13.124 -5.045 4.374 394 HG3 GLU 62 HG1 GLU 62 -11.564 -5.779 4.750 395 H ILE 63 HN ILE 63 -12.325 -0.789 5.543 396 HA ILE 63 HA ILE 63 -11.013 -0.099 8.064 397 HB ILE 63 HB ILE 63 -9.811 1.610 6.885 398 HG12 ILE 63 HG12 ILE 63 -11.364 0.847 4.402 399 HG13 ILE 63 HG11 ILE 63 -11.678 2.291 5.362 400 HG21 ILE 63 HG21 ILE 63 -9.903 -0.954 5.297 401 HG22 ILE 63 HG22 ILE 63 -8.937 -0.653 6.743 402 HG23 ILE 63 HG23 ILE 63 -8.594 0.229 5.254 403 HD11 ILE 63 HD11 ILE 63 -9.106 1.657 3.933 404 HD12 ILE 63 HD12 ILE 63 -9.437 3.109 4.875 405 HD13 ILE 63 HD13 ILE 63 -10.339 2.796 3.393 406 H GLY 64 HN GLY 64 -13.850 0.545 6.323 407 HA2 GLY 64 HA2 GLY 64 -15.695 1.650 7.277 408 HA3 GLY 64 HA1 GLY 64 -14.601 2.505 8.351 409 H LEU 65 HN LEU 65 -13.893 2.352 4.977 410 HA LEU 65 HA LEU 65 -14.615 5.197 4.748 411 HB2 LEU 65 HB2 LEU 65 -12.141 3.736 3.993 412 HB3 LEU 65 HB1 LEU 65 -12.667 5.028 2.939 413 HG LEU 65 HG LEU 65 -11.021 5.887 4.459 414 HD11 LEU 65 HD11 LEU 65 -13.746 6.826 5.335 415 HD12 LEU 65 HD12 LEU 65 -12.891 7.367 3.892 416 HD13 LEU 65 HD13 LEU 65 -12.229 7.710 5.489 417 HD21 LEU 65 HD21 LEU 65 -12.787 4.852 6.669 418 HD22 LEU 65 HD22 LEU 65 -11.371 5.880 6.892 419 HD23 LEU 65 HD23 LEU 65 -11.185 4.257 6.231 420 H THR 66 HN THR 66 -14.429 5.785 2.246 421 HA THR 66 HA THR 66 -16.493 4.328 0.926 422 HB THR 66 HB THR 66 -14.839 6.100 -0.737 423 HG1 THR 66 HG1 THR 66 -16.185 7.775 0.831 424 HG21 THR 66 HG21 THR 66 -17.757 6.097 0.046 425 HG22 THR 66 HG22 THR 66 -17.059 5.395 -1.416 426 HG23 THR 66 HG23 THR 66 -17.031 7.142 -1.176 427 H ARG 67 HN ARG 67 -16.255 3.311 -1.191 428 HA ARG 67 HA ARG 67 -14.118 1.481 -1.324 429 HB2 ARG 67 HB2 ARG 67 -15.093 0.756 -3.400 430 HB3 ARG 67 HB1 ARG 67 -16.388 1.115 -2.273 431 HG2 ARG 67 HG2 ARG 67 -16.572 3.367 -3.388 432 HG3 ARG 67 HG1 ARG 67 -15.488 2.737 -4.631 433 HD2 ARG 67 HD2 ARG 67 -17.690 2.417 -5.428 434 HD3 ARG 67 HD1 ARG 67 -17.106 0.835 -4.915 435 HE ARG 67 HE ARG 67 -18.436 1.987 -2.757 436 HH11 ARG 67 HH11 ARG 67 -19.178 0.839 -5.976 437 HH12 ARG 67 HH12 ARG 67 -20.805 0.385 -5.578 438 HH21 ARG 67 HH21 ARG 67 -20.579 1.407 -2.228 439 HH22 ARG 67 HH22 ARG 67 -21.598 0.697 -3.438 440 H GLU 68 HN GLU 68 -14.649 4.630 -2.730 441 HA GLU 68 HA GLU 68 -12.581 4.740 -4.614 442 HB2 GLU 68 HB2 GLU 68 -14.171 6.545 -4.485 443 HB3 GLU 68 HB1 GLU 68 -13.768 6.842 -2.801 444 HG2 GLU 68 HG2 GLU 68 -11.515 7.552 -3.485 445 HG3 GLU 68 HG1 GLU 68 -11.997 7.354 -5.172 446 H ARG 69 HN ARG 69 -12.604 5.418 -1.159 447 HA ARG 69 HA ARG 69 -10.145 6.629 -0.910 448 HB2 ARG 69 HB2 ARG 69 -11.400 4.819 1.154 449 HB3 ARG 69 HB1 ARG 69 -10.255 6.119 1.445 450 HG2 ARG 69 HG2 ARG 69 -13.091 6.391 0.481 451 HG3 ARG 69 HG1 ARG 69 -12.465 6.817 2.070 452 HD2 ARG 69 HD2 ARG 69 -11.040 8.530 1.026 453 HD3 ARG 69 HD1 ARG 69 -11.727 8.118 -0.548 454 HE ARG 69 HE ARG 69 -13.874 8.684 1.092 455 HH11 ARG 69 HH11 ARG 69 -11.050 10.412 -0.049 456 HH12 ARG 69 HH12 ARG 69 -11.825 11.960 -0.007 457 HH21 ARG 69 HH21 ARG 69 -14.890 10.728 1.146 458 HH22 ARG 69 HH22 ARG 69 -14.004 12.142 0.669 459 H VAL 70 HN VAL 70 -10.873 3.155 -0.447 460 HA VAL 70 HA VAL 70 -8.175 2.489 0.067 461 HB VAL 70 HB VAL 70 -10.244 0.596 -1.027 462 HG11 VAL 70 HG11 VAL 70 -7.941 -0.229 -0.976 463 HG12 VAL 70 HG12 VAL 70 -8.950 -1.081 0.191 464 HG13 VAL 70 HG13 VAL 70 -7.835 0.167 0.739 465 HG21 VAL 70 HG21 VAL 70 -9.769 1.440 1.828 466 HG22 VAL 70 HG22 VAL 70 -10.812 0.114 1.319 467 HG23 VAL 70 HG23 VAL 70 -11.208 1.771 0.862 468 H ARG 71 HN ARG 71 -10.138 2.264 -2.893 469 HA ARG 71 HA ARG 71 -8.084 1.139 -4.486 470 HB2 ARG 71 HB2 ARG 71 -10.278 0.921 -5.308 471 HB3 ARG 71 HB1 ARG 71 -10.612 2.628 -5.133 472 HG2 ARG 71 HG2 ARG 71 -10.383 2.256 -7.436 473 HG3 ARG 71 HG1 ARG 71 -8.879 3.019 -6.923 474 HD2 ARG 71 HD2 ARG 71 -7.835 0.769 -6.815 475 HD3 ARG 71 HD1 ARG 71 -9.323 0.087 -7.471 476 HE ARG 71 HE ARG 71 -8.277 2.200 -9.090 477 HH11 ARG 71 HH11 ARG 71 -8.025 -1.228 -8.429 478 HH12 ARG 71 HH12 ARG 71 -7.343 -1.600 -9.978 479 HH21 ARG 71 HH21 ARG 71 -7.380 1.706 -11.120 480 HH22 ARG 71 HH22 ARG 71 -6.977 0.064 -11.505 481 H GLN 72 HN GLN 72 -9.288 4.483 -4.307 482 HA GLN 72 HA GLN 72 -7.468 5.251 -6.378 483 HB2 GLN 72 HB2 GLN 72 -9.478 6.800 -4.757 484 HB3 GLN 72 HB1 GLN 72 -8.524 7.495 -6.075 485 HG2 GLN 72 HG2 GLN 72 -9.454 5.646 -7.527 486 HG3 GLN 72 HG1 GLN 72 -10.566 5.311 -6.208 487 HE21 GLN 72 HE21 GLN 72 -12.355 5.817 -7.444 488 HE22 GLN 72 HE22 GLN 72 -12.754 7.446 -7.869 489 H ILE 73 HN ILE 73 -7.700 5.843 -2.898 490 HA ILE 73 HA ILE 73 -5.467 7.573 -2.779 491 HB ILE 73 HB ILE 73 -6.584 5.731 -0.672 492 HG12 ILE 73 HG12 ILE 73 -6.782 8.730 -1.024 493 HG13 ILE 73 HG11 ILE 73 -8.015 7.589 -1.551 494 HG21 ILE 73 HG21 ILE 73 -4.495 7.895 -0.394 495 HG22 ILE 73 HG22 ILE 73 -4.253 6.166 -0.139 496 HG23 ILE 73 HG23 ILE 73 -5.298 7.081 0.948 497 HD11 ILE 73 HD11 ILE 73 -7.123 8.091 1.273 498 HD12 ILE 73 HD12 ILE 73 -8.294 6.869 0.779 499 HD13 ILE 73 HD13 ILE 73 -8.649 8.577 0.534 500 H GLN 74 HN GLN 74 -5.737 4.077 -2.860 501 HA GLN 74 HA GLN 74 -2.976 3.496 -2.557 502 HB2 GLN 74 HB2 GLN 74 -4.363 1.634 -2.284 503 HB3 GLN 74 HB1 GLN 74 -5.349 2.050 -3.677 504 HG2 GLN 74 HG2 GLN 74 -2.665 1.499 -4.510 505 HG3 GLN 74 HG1 GLN 74 -3.283 0.176 -3.521 506 HE21 GLN 74 HE21 GLN 74 -6.042 0.704 -4.299 507 HE22 GLN 74 HE22 GLN 74 -6.202 0.119 -5.918 508 H VAL 75 HN VAL 75 -5.041 4.119 -5.354 509 HA VAL 75 HA VAL 75 -3.136 3.625 -7.354 510 HB VAL 75 HB VAL 75 -5.515 5.486 -7.458 511 HG11 VAL 75 HG11 VAL 75 -3.937 4.201 -9.678 512 HG12 VAL 75 HG12 VAL 75 -3.922 5.912 -9.250 513 HG13 VAL 75 HG13 VAL 75 -5.395 5.171 -9.877 514 HG21 VAL 75 HG21 VAL 75 -6.121 3.182 -6.860 515 HG22 VAL 75 HG22 VAL 75 -5.273 2.594 -8.290 516 HG23 VAL 75 HG23 VAL 75 -6.702 3.613 -8.467 517 H GLU 76 HN GLU 76 -4.102 6.704 -5.807 518 HA GLU 76 HA GLU 76 -2.191 8.284 -7.179 519 HB2 GLU 76 HB2 GLU 76 -2.586 9.976 -5.419 520 HB3 GLU 76 HB1 GLU 76 -4.083 9.342 -6.077 521 HG2 GLU 76 HG2 GLU 76 -4.317 7.886 -4.139 522 HG3 GLU 76 HG1 GLU 76 -2.829 8.545 -3.469 523 H GLY 77 HN GLY 77 -2.079 6.327 -4.286 524 HA2 GLY 77 HA2 GLY 77 0.393 7.159 -3.270 525 HA3 GLY 77 HA1 GLY 77 -0.324 5.571 -3.044 526 H LEU 78 HN LEU 78 -0.434 4.849 -5.796 527 HA LEU 78 HA LEU 78 2.004 3.562 -6.075 528 HB2 LEU 78 HB2 LEU 78 0.058 4.259 -8.270 529 HB3 LEU 78 HB1 LEU 78 1.306 3.033 -8.361 530 HG LEU 78 HG LEU 78 -1.105 2.984 -6.544 531 HD11 LEU 78 HD11 LEU 78 -0.378 1.318 -8.948 532 HD12 LEU 78 HD12 LEU 78 -1.654 2.533 -8.867 533 HD13 LEU 78 HD13 LEU 78 -1.774 1.062 -7.903 534 HD21 LEU 78 HD21 LEU 78 -0.349 0.724 -5.952 535 HD22 LEU 78 HD22 LEU 78 0.799 1.963 -5.447 536 HD23 LEU 78 HD23 LEU 78 1.127 0.989 -6.880 537 H ARG 79 HN ARG 79 1.124 6.761 -7.033 538 HA ARG 79 HA ARG 79 3.367 7.134 -8.802 539 HB2 ARG 79 HB2 ARG 79 1.770 9.327 -7.497 540 HB3 ARG 79 HB1 ARG 79 2.642 9.377 -9.022 541 HG2 ARG 79 HG2 ARG 79 1.011 7.667 -9.872 542 HG3 ARG 79 HG1 ARG 79 0.072 7.959 -8.412 543 HD2 ARG 79 HD2 ARG 79 0.735 9.905 -10.608 544 HD3 ARG 79 HD1 ARG 79 -0.854 9.329 -10.118 545 HE ARG 79 HE ARG 79 0.845 11.153 -8.538 546 HH11 ARG 79 HH11 ARG 79 -2.316 9.878 -9.382 547 HH12 ARG 79 HH12 ARG 79 -3.175 11.091 -8.490 548 HH21 ARG 79 HH21 ARG 79 -0.292 12.741 -7.361 549 HH22 ARG 79 HH22 ARG 79 -2.026 12.709 -7.331 550 H ARG 80 HN ARG 80 2.478 8.355 -5.600 551 HA ARG 80 HA ARG 80 4.925 9.762 -5.242 552 HB2 ARG 80 HB2 ARG 80 4.089 10.184 -2.962 553 HB3 ARG 80 HB1 ARG 80 2.881 10.533 -4.190 554 HG2 ARG 80 HG2 ARG 80 1.977 8.201 -3.736 555 HG3 ARG 80 HG1 ARG 80 2.999 8.212 -2.297 556 HD2 ARG 80 HD2 ARG 80 0.685 8.912 -1.832 557 HD3 ARG 80 HD1 ARG 80 1.869 10.163 -1.458 558 HE ARG 80 HE ARG 80 1.215 11.001 -3.819 559 HH11 ARG 80 HH11 ARG 80 -0.939 9.574 -1.466 560 HH12 ARG 80 HH12 ARG 80 -2.349 10.396 -2.073 561 HH21 ARG 80 HH21 ARG 80 -0.613 12.111 -4.591 562 HH22 ARG 80 HH22 ARG 80 -2.153 11.861 -3.829 563 H LEU 81 HN LEU 81 3.744 6.617 -4.234 564 HA LEU 81 HA LEU 81 5.460 6.055 -2.137 565 HB2 LEU 81 HB2 LEU 81 3.884 4.470 -4.059 566 HB3 LEU 81 HB1 LEU 81 5.170 3.610 -3.236 567 HG LEU 81 HG LEU 81 4.165 3.875 -1.132 568 HD11 LEU 81 HD11 LEU 81 2.261 5.363 -0.696 569 HD12 LEU 81 HD12 LEU 81 2.374 5.976 -2.346 570 HD13 LEU 81 HD13 LEU 81 3.691 6.254 -1.209 571 HD21 LEU 81 HD21 LEU 81 1.970 3.551 -3.163 572 HD22 LEU 81 HD22 LEU 81 1.841 3.137 -1.455 573 HD23 LEU 81 HD23 LEU 81 2.986 2.277 -2.488 574 H ARG 82 HN ARG 82 6.104 6.050 -5.533 575 HA ARG 82 HA ARG 82 8.413 4.435 -5.534 576 HB2 ARG 82 HB2 ARG 82 7.778 6.735 -7.385 577 HB3 ARG 82 HB1 ARG 82 8.855 5.381 -7.712 578 HG2 ARG 82 HG2 ARG 82 6.963 3.849 -7.611 579 HG3 ARG 82 HG1 ARG 82 5.881 5.201 -7.286 580 HD2 ARG 82 HD2 ARG 82 6.660 6.191 -9.470 581 HD3 ARG 82 HD1 ARG 82 7.460 4.650 -9.785 582 HE ARG 82 HE ARG 82 4.624 4.543 -9.144 583 HH11 ARG 82 HH11 ARG 82 7.103 4.500 -11.618 584 HH12 ARG 82 HH12 ARG 82 6.058 3.831 -12.829 585 HH21 ARG 82 HH21 ARG 82 3.250 3.661 -10.743 586 HH22 ARG 82 HH22 ARG 82 3.870 3.353 -12.333 587 H GLU 83 HN GLU 83 7.843 7.788 -4.743 588 HA GLU 83 HA GLU 83 10.435 8.794 -5.073 589 HB2 GLU 83 HB2 GLU 83 8.294 9.686 -3.139 590 HB3 GLU 83 HB1 GLU 83 9.721 10.616 -3.575 591 HG2 GLU 83 HG2 GLU 83 8.951 10.645 -5.918 592 HG3 GLU 83 HG1 GLU 83 7.491 9.789 -5.421 593 H ILE 84 HN ILE 84 8.892 7.596 -2.054 594 HA ILE 84 HA ILE 84 11.205 7.936 -0.466 595 HB ILE 84 HB ILE 84 8.567 6.899 -0.034 596 HG12 ILE 84 HG12 ILE 84 9.544 7.179 2.445 597 HG13 ILE 84 HG11 ILE 84 10.780 8.063 1.556 598 HG21 ILE 84 HG21 ILE 84 8.994 5.140 1.613 599 HG22 ILE 84 HG22 ILE 84 10.709 5.158 1.188 600 HG23 ILE 84 HG23 ILE 84 9.512 4.655 -0.005 601 HD11 ILE 84 HD11 ILE 84 9.096 9.577 2.322 602 HD12 ILE 84 HD12 ILE 84 7.823 8.606 1.573 603 HD13 ILE 84 HD13 ILE 84 9.004 9.455 0.565 604 H LEU 85 HN LEU 85 10.199 5.444 -2.656 605 HA LEU 85 HA LEU 85 11.966 3.485 -1.542 606 HB2 LEU 85 HB2 LEU 85 10.278 3.482 -4.037 607 HB3 LEU 85 HB1 LEU 85 11.177 2.099 -3.441 608 HG LEU 85 HG LEU 85 8.852 3.469 -2.078 609 HD11 LEU 85 HD11 LEU 85 9.205 0.693 -3.195 610 HD12 LEU 85 HD12 LEU 85 8.222 1.983 -3.891 611 HD13 LEU 85 HD13 LEU 85 7.784 1.285 -2.332 612 HD21 LEU 85 HD21 LEU 85 10.464 2.853 -0.396 613 HD22 LEU 85 HD22 LEU 85 10.630 1.242 -1.095 614 HD23 LEU 85 HD23 LEU 85 9.106 1.728 -0.348 615 H GLN 86 HN GLN 86 11.830 5.281 -4.635 616 HA GLN 86 HA GLN 86 14.204 4.199 -5.670 617 HB2 GLN 86 HB2 GLN 86 14.193 6.081 -7.241 618 HB3 GLN 86 HB1 GLN 86 12.596 5.366 -7.082 619 HG2 GLN 86 HG2 GLN 86 11.905 7.174 -5.624 620 HG3 GLN 86 HG1 GLN 86 13.518 7.876 -5.705 621 HE21 GLN 86 HE21 GLN 86 14.179 8.912 -7.564 622 HE22 GLN 86 HE22 GLN 86 13.071 9.390 -8.803 623 H THR 87 HN THR 87 13.651 6.852 -3.460 624 HA THR 87 HA THR 87 16.261 7.981 -3.737 625 HB THR 87 HB THR 87 14.094 9.121 -2.863 626 HG1 THR 87 HG1 THR 87 15.409 10.544 -1.576 627 HG21 THR 87 HG21 THR 87 13.656 7.505 -1.054 628 HG22 THR 87 HG22 THR 87 13.824 9.154 -0.453 629 HG23 THR 87 HG23 THR 87 15.151 8.009 -0.264 630 H GLN 88 HN GLN 88 15.015 5.254 -2.190 631 HA GLN 88 HA GLN 88 17.423 5.006 -0.516 632 HB2 GLN 88 HB2 GLN 88 14.659 3.859 -0.065 633 HB3 GLN 88 HB1 GLN 88 16.061 3.497 0.932 634 HG2 GLN 88 HG2 GLN 88 16.240 5.852 1.546 635 HG3 GLN 88 HG1 GLN 88 14.854 6.223 0.528 636 HE21 GLN 88 HE21 GLN 88 12.803 5.547 1.166 637 HE22 GLN 88 HE22 GLN 88 12.456 5.153 2.816 638 H GLY 89 HN GLY 89 16.551 4.191 -3.393 639 HA2 GLY 89 HA2 GLY 89 17.284 2.553 -4.835 640 HA3 GLY 89 HA1 GLY 89 18.166 1.849 -3.490 641 H LEU 90 HN LEU 90 14.717 2.379 -3.450 642 HA LEU 90 HA LEU 90 14.302 -0.538 -3.456 643 HB2 LEU 90 HB2 LEU 90 12.564 1.541 -2.152 644 HB3 LEU 90 HB1 LEU 90 12.553 -0.189 -1.885 645 HG LEU 90 HG LEU 90 14.873 1.589 -1.155 646 HD11 LEU 90 HD11 LEU 90 14.090 1.505 1.125 647 HD12 LEU 90 HD12 LEU 90 12.679 0.567 0.632 648 HD13 LEU 90 HD13 LEU 90 12.865 2.234 0.085 649 HD21 LEU 90 HD21 LEU 90 15.433 -0.760 -1.481 650 HD22 LEU 90 HD22 LEU 90 14.161 -1.227 -0.352 651 HD23 LEU 90 HD23 LEU 90 15.553 -0.308 0.218 652 H ASN 91 HN ASN 91 12.051 -1.176 -4.202 653 HA ASN 91 HA ASN 91 11.176 0.623 -6.361 654 HB2 ASN 91 HB2 ASN 91 10.807 -1.388 -7.781 655 HB3 ASN 91 HB1 ASN 91 12.498 -1.151 -7.364 656 HD21 ASN 91 HD21 ASN 91 11.126 -3.567 -8.210 657 HD22 ASN 91 HD22 ASN 91 11.371 -4.728 -6.950 658 H ILE 92 HN ILE 92 9.064 0.882 -6.656 659 HA ILE 92 HA ILE 92 7.225 -0.109 -4.687 660 HB ILE 92 HB ILE 92 7.038 2.166 -5.746 661 HG12 ILE 92 HG12 ILE 92 4.687 0.281 -5.925 662 HG13 ILE 92 HG11 ILE 92 5.170 1.239 -4.531 663 HG21 ILE 92 HG21 ILE 92 5.850 2.249 -7.954 664 HG22 ILE 92 HG22 ILE 92 6.199 0.529 -8.132 665 HG23 ILE 92 HG23 ILE 92 7.521 1.691 -8.032 666 HD11 ILE 92 HD11 ILE 92 4.618 3.274 -5.745 667 HD12 ILE 92 HD12 ILE 92 3.240 2.180 -5.626 668 HD13 ILE 92 HD13 ILE 92 4.136 2.306 -7.138 669 H GLU 93 HN GLU 93 8.296 -1.068 -7.780 670 HA GLU 93 HA GLU 93 6.089 -2.425 -8.812 671 HB2 GLU 93 HB2 GLU 93 9.009 -3.135 -9.132 672 HB3 GLU 93 HB1 GLU 93 7.700 -3.688 -10.163 673 HG2 GLU 93 HG2 GLU 93 7.261 -1.334 -10.789 674 HG3 GLU 93 HG1 GLU 93 8.670 -0.860 -9.843 675 H ALA 94 HN ALA 94 8.044 -3.191 -6.127 676 HA ALA 94 HA ALA 94 7.881 -6.042 -6.313 677 HB1 ALA 94 HB1 ALA 94 9.618 -4.536 -5.085 678 HB2 ALA 94 HB2 ALA 94 9.164 -6.098 -4.401 679 HB3 ALA 94 HB3 ALA 94 8.459 -4.619 -3.758 680 H LEU 95 HN LEU 95 5.677 -3.657 -5.410 681 HA LEU 95 HA LEU 95 4.297 -5.087 -3.343 682 HB2 LEU 95 HB2 LEU 95 3.609 -2.708 -5.038 683 HB3 LEU 95 HB1 LEU 95 2.584 -3.319 -3.747 684 HG LEU 95 HG LEU 95 5.440 -2.599 -3.222 685 HD11 LEU 95 HD11 LEU 95 3.062 -0.786 -3.339 686 HD12 LEU 95 HD12 LEU 95 4.601 -0.631 -4.182 687 HD13 LEU 95 HD13 LEU 95 4.527 -0.407 -2.436 688 HD21 LEU 95 HD21 LEU 95 4.235 -3.914 -1.568 689 HD22 LEU 95 HD22 LEU 95 2.961 -2.694 -1.519 690 HD23 LEU 95 HD23 LEU 95 4.589 -2.295 -0.971 691 H PHE 96 HN PHE 96 3.732 -4.398 -6.755 692 HA PHE 96 HA PHE 96 1.402 -6.139 -6.740 693 HB2 PHE 96 HB2 PHE 96 1.758 -5.128 -9.326 694 HB3 PHE 96 HB1 PHE 96 0.604 -4.590 -8.115 695 HD1 PHE 96 HD1 PHE 96 1.270 -2.736 -6.545 696 HD2 PHE 96 HD2 PHE 96 3.486 -3.719 -10.045 697 HE1 PHE 96 HE1 PHE 96 2.319 -0.514 -6.502 698 HE2 PHE 96 HE2 PHE 96 4.538 -1.497 -10.007 699 HZ PHE 96 HZ PHE 96 3.956 0.110 -8.234 700 H ARG 97 HN ARG 97 4.657 -6.394 -7.291 701 HA ARG 97 HA ARG 97 4.528 -8.350 -9.399 702 HB2 ARG 97 HB2 ARG 97 6.530 -6.852 -8.861 703 HB3 ARG 97 HB1 ARG 97 6.821 -7.907 -7.490 704 HG2 ARG 97 HG2 ARG 97 6.696 -8.892 -10.328 705 HG3 ARG 97 HG1 ARG 97 8.188 -8.371 -9.549 706 HD2 ARG 97 HD2 ARG 97 7.853 -10.093 -7.820 707 HD3 ARG 97 HD1 ARG 97 6.394 -10.625 -8.653 708 HE ARG 97 HE ARG 97 8.774 -10.625 -10.280 709 HH11 ARG 97 HH11 ARG 97 6.705 -12.487 -8.154 710 HH12 ARG 97 HH12 ARG 97 7.323 -14.014 -8.690 711 HH21 ARG 97 HH21 ARG 97 9.573 -12.633 -10.996 712 HH22 ARG 97 HH22 ARG 97 8.963 -14.100 -10.298 713 H GLU 98 HN GLU 98 3.071 -9.847 -8.667 714 HA GLU 98 HA GLU 98 3.848 -11.381 -6.286 715 HB2 GLU 98 HB2 GLU 98 1.189 -11.284 -7.722 716 HB3 GLU 98 HB1 GLU 98 1.539 -12.229 -6.283 717 HG2 GLU 98 HG2 GLU 98 1.952 -10.150 -5.039 718 HG3 GLU 98 HG1 GLU 98 1.550 -9.221 -6.484 Start of MODEL 5 1 H1 GLY 13 HT1 GLY 13 18.043 -2.572 3.586 2 H2 GLY 13 HT2 GLY 13 19.251 -2.745 4.757 3 H3 GLY 13 HT3 GLY 13 19.668 -2.609 3.123 4 HA2 GLY 13 HA1 GLY 13 20.092 -0.533 4.239 5 HA3 GLY 13 HA2 GLY 13 18.810 -0.356 3.053 6 HA PRO 14 HA PRO 14 16.547 1.569 6.365 7 HB2 PRO 14 HB2 PRO 14 14.147 1.751 5.135 8 HB3 PRO 14 HB1 PRO 14 15.518 2.769 4.683 9 HG2 PRO 14 HG2 PRO 14 14.531 0.246 3.396 10 HG3 PRO 14 HG1 PRO 14 14.995 1.780 2.634 11 HD2 PRO 14 HD2 PRO 14 16.665 -0.328 2.726 12 HD3 PRO 14 HD1 PRO 14 17.253 1.342 2.833 13 H GLU 15 HN GLU 15 13.654 1.023 6.498 14 HA GLU 15 HA GLU 15 13.660 -1.083 8.336 15 HB2 GLU 15 HB2 GLU 15 11.254 -0.928 8.375 16 HB3 GLU 15 HB1 GLU 15 11.922 0.693 8.274 17 HG2 GLU 15 HG2 GLU 15 10.784 -0.867 5.956 18 HG3 GLU 15 HG1 GLU 15 9.934 0.389 6.855 19 H ASP 16 HN ASP 16 13.013 -1.009 4.899 20 HA ASP 16 HA ASP 16 11.789 -3.358 4.338 21 HB2 ASP 16 HB2 ASP 16 12.402 -1.859 2.569 22 HB3 ASP 16 HB1 ASP 16 14.115 -2.083 2.900 23 H THR 17 HN THR 17 15.282 -3.318 3.843 24 HA THR 17 HA THR 17 16.849 -4.923 3.882 25 HB THR 17 HB THR 17 17.189 -6.095 5.979 26 HG1 THR 17 HG1 THR 17 14.493 -5.519 6.325 27 HG21 THR 17 HG21 THR 17 17.840 -3.746 5.806 28 HG22 THR 17 HG22 THR 17 17.351 -4.160 7.449 29 HG23 THR 17 HG23 THR 17 16.251 -3.266 6.400 30 H THR 18 HN THR 18 13.996 -5.698 2.930 31 HA THR 18 HA THR 18 14.567 -8.366 2.161 32 HB THR 18 HB THR 18 12.267 -8.088 4.116 33 HG1 THR 18 HG1 THR 18 14.894 -8.564 4.587 34 HG21 THR 18 HG21 THR 18 13.449 -10.513 2.762 35 HG22 THR 18 HG22 THR 18 11.901 -9.763 2.374 36 HG23 THR 18 HG23 THR 18 12.142 -10.530 3.943 37 H GLN 19 HN GLN 19 14.173 -7.098 0.221 38 HA GLN 19 HA GLN 19 11.612 -5.945 -0.300 39 HB2 GLN 19 HB2 GLN 19 13.893 -6.656 -2.143 40 HB3 GLN 19 HB1 GLN 19 12.458 -5.763 -2.634 41 HG2 GLN 19 HG2 GLN 19 13.001 -4.014 -1.006 42 HG3 GLN 19 HG1 GLN 19 14.457 -4.904 -0.557 43 HE21 GLN 19 HE21 GLN 19 16.188 -4.988 -1.984 44 HE22 GLN 19 HE22 GLN 19 16.318 -3.922 -3.338 45 H ASP 20 HN ASP 20 10.379 -7.809 0.341 46 HA ASP 20 HA ASP 20 9.688 -9.459 -1.967 47 HB2 ASP 20 HB2 ASP 20 10.417 -10.666 0.721 48 HB3 ASP 20 HB1 ASP 20 9.589 -11.538 -0.562 49 H ASP 21 HN ASP 21 8.439 -10.845 0.782 50 HA ASP 21 HA ASP 21 5.894 -9.544 0.584 51 HB2 ASP 21 HB2 ASP 21 7.012 -11.420 2.683 52 HB3 ASP 21 HB1 ASP 21 5.345 -10.859 2.646 53 H ASP 22 HN ASP 22 8.727 -9.300 2.546 54 HA ASP 22 HA ASP 22 7.671 -7.519 4.491 55 HB2 ASP 22 HB2 ASP 22 10.469 -8.295 3.715 56 HB3 ASP 22 HB1 ASP 22 10.146 -7.094 4.962 57 H MET 23 HN MET 23 8.771 -7.118 1.274 58 HA MET 23 HA MET 23 9.642 -4.514 1.238 59 HB2 MET 23 HB2 MET 23 9.731 -5.585 -0.811 60 HB3 MET 23 HB1 MET 23 8.072 -6.145 -0.715 61 HG2 MET 23 HG2 MET 23 8.530 -4.399 -2.426 62 HG3 MET 23 HG1 MET 23 7.227 -4.019 -1.309 63 HE1 MET 23 HE1 MET 23 11.055 -3.227 -2.211 64 HE2 MET 23 HE2 MET 23 11.016 -3.908 -0.584 65 HE3 MET 23 HE3 MET 23 11.440 -2.215 -0.818 66 H LYS 24 HN LYS 24 6.339 -5.752 1.462 67 HA LYS 24 HA LYS 24 4.986 -3.311 1.268 68 HB2 LYS 24 HB2 LYS 24 3.861 -5.501 1.188 69 HB3 LYS 24 HB1 LYS 24 4.209 -5.733 2.901 70 HG2 LYS 24 HG2 LYS 24 1.899 -4.969 2.477 71 HG3 LYS 24 HG1 LYS 24 2.821 -3.847 3.479 72 HD2 LYS 24 HD2 LYS 24 3.333 -2.558 1.381 73 HD3 LYS 24 HD1 LYS 24 2.150 -3.582 0.557 74 HE2 LYS 24 HE2 LYS 24 1.198 -1.448 1.290 75 HE3 LYS 24 HE1 LYS 24 0.422 -2.827 2.065 76 HZ1 LYS 24 HZ1 LYS 24 2.547 -1.160 3.295 77 HZ2 LYS 24 HZ2 LYS 24 1.722 -2.434 4.039 78 HZ3 LYS 24 HZ3 LYS 24 0.888 -1.021 3.618 79 H GLN 25 HN GLN 25 6.723 -4.775 3.871 80 HA GLN 25 HA GLN 25 5.786 -3.138 5.987 81 HB2 GLN 25 HB2 GLN 25 6.771 -5.137 6.654 82 HB3 GLN 25 HB1 GLN 25 8.125 -4.953 5.555 83 HG2 GLN 25 HG2 GLN 25 8.149 -2.830 7.471 84 HG3 GLN 25 HG1 GLN 25 8.032 -4.388 8.295 85 HE21 GLN 25 HE21 GLN 25 9.521 -3.931 5.179 86 HE22 GLN 25 HE22 GLN 25 11.150 -4.262 5.668 87 H SER 26 HN SER 26 8.239 -2.741 3.504 88 HA SER 26 HA SER 26 9.430 -0.418 4.638 89 HB2 SER 26 HB2 SER 26 10.597 -1.600 2.890 90 HB3 SER 26 HB1 SER 26 9.271 -1.366 1.763 91 HG SER 26 HG SER 26 11.014 0.587 2.875 92 H ILE 27 HN ILE 27 6.633 -1.024 2.618 93 HA ILE 27 HA ILE 27 6.041 1.711 2.078 94 HB ILE 27 HB ILE 27 3.929 -0.416 2.220 95 HG12 ILE 27 HG12 ILE 27 5.815 -1.426 1.021 96 HG13 ILE 27 HG11 ILE 27 4.487 -1.072 -0.080 97 HG21 ILE 27 HG21 ILE 27 3.007 0.858 0.329 98 HG22 ILE 27 HG22 ILE 27 4.362 1.978 0.438 99 HG23 ILE 27 HG23 ILE 27 3.212 1.852 1.769 100 HD11 ILE 27 HD11 ILE 27 6.988 0.562 0.255 101 HD12 ILE 27 HD12 ILE 27 5.659 0.920 -0.849 102 HD13 ILE 27 HD13 ILE 27 6.627 -0.539 -1.077 103 H VAL 28 HN VAL 28 5.780 -0.250 4.812 104 HA VAL 28 HA VAL 28 3.677 1.064 6.166 105 HB VAL 28 HB VAL 28 6.022 -0.576 7.102 106 HG11 VAL 28 HG11 VAL 28 3.834 0.566 8.829 107 HG12 VAL 28 HG12 VAL 28 5.535 1.034 8.868 108 HG13 VAL 28 HG13 VAL 28 5.059 -0.599 9.336 109 HG21 VAL 28 HG21 VAL 28 3.048 -1.106 7.113 110 HG22 VAL 28 HG22 VAL 28 4.317 -2.238 7.580 111 HG23 VAL 28 HG23 VAL 28 4.182 -1.704 5.904 112 H LYS 29 HN LYS 29 7.077 1.739 5.695 113 HA LYS 29 HA LYS 29 7.373 3.908 7.447 114 HB2 LYS 29 HB2 LYS 29 9.422 3.512 6.589 115 HB3 LYS 29 HB1 LYS 29 8.766 2.790 5.132 116 HG2 LYS 29 HG2 LYS 29 10.029 4.615 4.405 117 HG3 LYS 29 HG1 LYS 29 8.355 5.155 4.316 118 HD2 LYS 29 HD2 LYS 29 8.678 6.244 6.550 119 HD3 LYS 29 HD1 LYS 29 10.395 5.844 6.429 120 HE2 LYS 29 HE2 LYS 29 10.567 7.134 4.375 121 HE3 LYS 29 HE1 LYS 29 8.844 7.493 4.435 122 HZ1 LYS 29 HZ1 LYS 29 9.931 9.374 5.283 123 HZ2 LYS 29 HZ2 LYS 29 10.965 8.454 6.261 124 HZ3 LYS 29 HZ3 LYS 29 9.325 8.569 6.643 125 H TRP 30 HN TRP 30 5.932 3.644 4.254 126 HA TRP 30 HA TRP 30 5.654 6.374 3.669 127 HB2 TRP 30 HB2 TRP 30 4.491 3.858 2.672 128 HB3 TRP 30 HB1 TRP 30 3.494 5.289 2.427 129 HD1 TRP 30 HD1 TRP 30 6.237 3.425 0.838 130 HE1 TRP 30 HE1 TRP 30 7.318 4.835 -1.022 131 HE3 TRP 30 HE3 TRP 30 4.239 7.980 2.004 132 HZ2 TRP 30 HZ2 TRP 30 7.328 7.526 -1.867 133 HZ3 TRP 30 HZ3 TRP 30 4.836 9.919 0.617 134 HH2 TRP 30 HH2 TRP 30 6.353 9.698 -1.276 135 H LEU 31 HN LEU 31 3.846 4.246 5.745 136 HA LEU 31 HA LEU 31 1.474 5.744 5.972 137 HB2 LEU 31 HB2 LEU 31 0.905 3.944 7.159 138 HB3 LEU 31 HB1 LEU 31 2.562 3.390 7.094 139 HG LEU 31 HG LEU 31 2.933 4.852 9.190 140 HD11 LEU 31 HD11 LEU 31 -0.065 4.578 9.301 141 HD12 LEU 31 HD12 LEU 31 0.827 6.084 9.075 142 HD13 LEU 31 HD13 LEU 31 0.979 5.188 10.586 143 HD21 LEU 31 HD21 LEU 31 2.971 2.423 9.184 144 HD22 LEU 31 HD22 LEU 31 1.213 2.384 9.320 145 HD23 LEU 31 HD23 LEU 31 2.186 3.039 10.637 146 H PHE 32 HN PHE 32 4.535 5.852 7.693 147 HA PHE 32 HA PHE 32 3.665 7.966 9.449 148 HB2 PHE 32 HB2 PHE 32 6.446 6.885 8.945 149 HB3 PHE 32 HB1 PHE 32 5.966 7.931 10.277 150 HD1 PHE 32 HD1 PHE 32 6.446 4.597 9.234 151 HD2 PHE 32 HD2 PHE 32 4.098 7.018 11.825 152 HE1 PHE 32 HE1 PHE 32 5.904 2.615 10.584 153 HE2 PHE 32 HE2 PHE 32 3.553 5.041 13.181 154 HZ PHE 32 HZ PHE 32 4.454 2.837 12.563 155 H GLU 33 HN GLU 33 4.266 7.935 6.272 156 HA GLU 33 HA GLU 33 5.775 10.450 6.281 157 HB2 GLU 33 HB2 GLU 33 6.723 8.509 5.006 158 HB3 GLU 33 HB1 GLU 33 5.330 8.608 3.937 159 HG2 GLU 33 HG2 GLU 33 7.247 9.718 2.962 160 HG3 GLU 33 HG1 GLU 33 5.964 10.876 3.307 161 H LEU 34 HN LEU 34 3.051 8.886 4.508 162 HA LEU 34 HA LEU 34 2.157 11.623 3.866 163 HB2 LEU 34 HB2 LEU 34 2.442 9.266 2.297 164 HB3 LEU 34 HB1 LEU 34 0.740 9.678 2.355 165 HG LEU 34 HG LEU 34 1.957 10.629 0.396 166 HD11 LEU 34 HD11 LEU 34 0.997 12.869 0.592 167 HD12 LEU 34 HD12 LEU 34 0.792 12.629 2.327 168 HD13 LEU 34 HD13 LEU 34 -0.113 11.634 1.185 169 HD21 LEU 34 HD21 LEU 34 3.216 12.547 2.329 170 HD22 LEU 34 HD22 LEU 34 3.579 12.302 0.620 171 HD23 LEU 34 HD23 LEU 34 4.043 11.085 1.808 172 H ASN 35 HN ASN 35 1.124 8.519 5.099 173 HA ASN 35 HA ASN 35 -0.558 9.282 7.041 174 HB2 ASN 35 HB2 ASN 35 -2.859 9.098 6.115 175 HB3 ASN 35 HB1 ASN 35 -2.001 10.514 5.530 176 HD21 ASN 35 HD21 ASN 35 -3.257 10.749 3.734 177 HD22 ASN 35 HD22 ASN 35 -3.202 9.659 2.392 178 H ALA 36 HN ALA 36 -2.168 7.525 7.647 179 HA ALA 36 HA ALA 36 -0.863 5.021 7.412 180 HB1 ALA 36 HB1 ALA 36 -2.689 4.132 8.737 181 HB2 ALA 36 HB2 ALA 36 -3.625 5.602 8.465 182 HB3 ALA 36 HB3 ALA 36 -2.135 5.667 9.407 183 H LYS 37 HN LYS 37 -3.466 6.563 5.723 184 HA LYS 37 HA LYS 37 -4.845 4.471 4.592 185 HB2 LYS 37 HB2 LYS 37 -4.085 7.150 3.445 186 HB3 LYS 37 HB1 LYS 37 -5.104 6.015 2.576 187 HG2 LYS 37 HG2 LYS 37 -5.746 7.135 5.290 188 HG3 LYS 37 HG1 LYS 37 -6.352 7.780 3.758 189 HD2 LYS 37 HD2 LYS 37 -7.345 5.552 3.284 190 HD3 LYS 37 HD1 LYS 37 -6.842 5.026 4.891 191 HE2 LYS 37 HE2 LYS 37 -8.689 7.333 4.308 192 HE3 LYS 37 HE1 LYS 37 -9.195 5.728 4.828 193 HZ1 LYS 37 HZ1 LYS 37 -9.101 7.276 6.679 194 HZ2 LYS 37 HZ2 LYS 37 -7.467 7.572 6.382 195 HZ3 LYS 37 HZ3 LYS 37 -7.969 6.036 6.879 196 H GLN 38 HN GLN 38 -1.930 6.056 3.251 197 HA GLN 38 HA GLN 38 -1.937 4.462 0.928 198 HB2 GLN 38 HB2 GLN 38 0.235 6.136 2.174 199 HB3 GLN 38 HB1 GLN 38 0.321 5.448 0.548 200 HG2 GLN 38 HG2 GLN 38 -2.030 6.638 0.322 201 HG3 GLN 38 HG1 GLN 38 -1.364 7.658 1.592 202 HE21 GLN 38 HE21 GLN 38 -2.080 8.166 -1.212 203 HE22 GLN 38 HE22 GLN 38 -0.665 8.844 -1.927 204 H ARG 39 HN ARG 39 -0.662 3.890 4.092 205 HA ARG 39 HA ARG 39 0.954 1.667 3.328 206 HB2 ARG 39 HB2 ARG 39 1.335 2.738 5.460 207 HB3 ARG 39 HB1 ARG 39 -0.304 2.375 5.981 208 HG2 ARG 39 HG2 ARG 39 1.321 0.046 5.206 209 HG3 ARG 39 HG1 ARG 39 1.859 0.913 6.642 210 HD2 ARG 39 HD2 ARG 39 -1.004 0.090 6.292 211 HD3 ARG 39 HD1 ARG 39 0.201 -1.018 6.945 212 HE ARG 39 HE ARG 39 0.570 0.607 8.738 213 HH11 ARG 39 HH11 ARG 39 -2.389 0.853 6.900 214 HH12 ARG 39 HH12 ARG 39 -3.278 1.639 8.160 215 HH21 ARG 39 HH21 ARG 39 -0.578 1.643 10.416 216 HH22 ARG 39 HH22 ARG 39 -2.239 2.081 10.175 217 H GLU 40 HN GLU 40 -2.375 1.916 4.612 218 HA GLU 40 HA GLU 40 -2.671 -0.945 4.578 219 HB2 GLU 40 HB2 GLU 40 -5.078 -0.394 5.210 220 HB3 GLU 40 HB1 GLU 40 -3.811 0.055 6.338 221 HG2 GLU 40 HG2 GLU 40 -3.905 2.364 5.320 222 HG3 GLU 40 HG1 GLU 40 -5.374 1.836 4.500 223 H VAL 41 HN VAL 41 -3.779 1.664 2.459 224 HA VAL 41 HA VAL 41 -5.806 0.349 1.114 225 HB VAL 41 HB VAL 41 -5.340 1.872 -0.773 226 HG11 VAL 41 HG11 VAL 41 -5.911 3.886 0.393 227 HG12 VAL 41 HG12 VAL 41 -5.275 3.235 1.902 228 HG13 VAL 41 HG13 VAL 41 -6.711 2.523 1.171 229 HG21 VAL 41 HG21 VAL 41 -3.015 2.759 0.921 230 HG22 VAL 41 HG22 VAL 41 -3.583 3.565 -0.542 231 HG23 VAL 41 HG23 VAL 41 -2.907 1.937 -0.634 232 H LEU 42 HN LEU 42 -2.324 0.226 0.432 233 HA LEU 42 HA LEU 42 -2.532 -1.224 -1.979 234 HB2 LEU 42 HB2 LEU 42 -0.280 -1.487 -0.004 235 HB3 LEU 42 HB1 LEU 42 -0.218 -1.735 -1.733 236 HG LEU 42 HG LEU 42 -0.491 0.899 -0.295 237 HD11 LEU 42 HD11 LEU 42 1.652 -0.033 -2.167 238 HD12 LEU 42 HD12 LEU 42 1.729 -0.309 -0.429 239 HD13 LEU 42 HD13 LEU 42 1.680 1.338 -1.060 240 HD21 LEU 42 HD21 LEU 42 -1.840 0.953 -2.312 241 HD22 LEU 42 HD22 LEU 42 -0.493 0.315 -3.254 242 HD23 LEU 42 HD23 LEU 42 -0.381 1.918 -2.526 243 H ALA 43 HN ALA 43 -1.981 -2.234 1.352 244 HA ALA 43 HA ALA 43 -1.780 -4.991 0.882 245 HB1 ALA 43 HB1 ALA 43 -2.185 -5.223 3.289 246 HB2 ALA 43 HB2 ALA 43 -2.692 -3.535 3.363 247 HB3 ALA 43 HB3 ALA 43 -1.027 -3.938 2.945 248 H ARG 44 HN ARG 44 -4.528 -2.879 1.381 249 HA ARG 44 HA ARG 44 -6.507 -4.834 1.761 250 HB2 ARG 44 HB2 ARG 44 -6.506 -1.991 0.842 251 HB3 ARG 44 HB1 ARG 44 -7.985 -2.932 0.770 252 HG2 ARG 44 HG2 ARG 44 -6.358 -2.627 3.276 253 HG3 ARG 44 HG1 ARG 44 -7.673 -1.549 2.828 254 HD2 ARG 44 HD2 ARG 44 -9.261 -3.033 3.326 255 HD3 ARG 44 HD1 ARG 44 -8.338 -4.390 2.716 256 HE ARG 44 HE ARG 44 -7.621 -3.176 5.297 257 HH11 ARG 44 HH11 ARG 44 -8.752 -5.928 3.450 258 HH12 ARG 44 HH12 ARG 44 -8.643 -7.023 4.787 259 HH21 ARG 44 HH21 ARG 44 -7.434 -4.657 7.042 260 HH22 ARG 44 HH22 ARG 44 -7.889 -6.312 6.811 261 H ARG 45 HN ARG 45 -5.136 -3.430 -1.179 262 HA ARG 45 HA ARG 45 -7.067 -4.925 -2.780 263 HB2 ARG 45 HB2 ARG 45 -5.147 -2.707 -3.415 264 HB3 ARG 45 HB1 ARG 45 -5.934 -3.632 -4.688 265 HG2 ARG 45 HG2 ARG 45 -7.415 -2.171 -2.512 266 HG3 ARG 45 HG1 ARG 45 -7.071 -1.495 -4.105 267 HD2 ARG 45 HD2 ARG 45 -8.661 -4.014 -3.565 268 HD3 ARG 45 HD1 ARG 45 -9.331 -2.434 -3.977 269 HE ARG 45 HE ARG 45 -8.229 -2.625 -6.148 270 HH11 ARG 45 HH11 ARG 45 -8.715 -5.578 -4.320 271 HH12 ARG 45 HH12 ARG 45 -8.546 -6.603 -5.706 272 HH21 ARG 45 HH21 ARG 45 -8.040 -3.983 -7.962 273 HH22 ARG 45 HH22 ARG 45 -8.169 -5.702 -7.768 274 H PHE 46 HN PHE 46 -3.822 -5.213 -1.738 275 HA PHE 46 HA PHE 46 -3.258 -7.074 -3.941 276 HB2 PHE 46 HB2 PHE 46 -1.302 -5.867 -1.974 277 HB3 PHE 46 HB1 PHE 46 -0.891 -6.873 -3.354 278 HD1 PHE 46 HD1 PHE 46 -0.090 -3.917 -2.511 279 HD2 PHE 46 HD2 PHE 46 -2.792 -5.611 -5.325 280 HE1 PHE 46 HE1 PHE 46 0.102 -1.905 -3.907 281 HE2 PHE 46 HE2 PHE 46 -2.605 -3.606 -6.729 282 HZ PHE 46 HZ PHE 46 -1.077 -1.718 -5.969 283 H GLY 47 HN GLY 47 -3.914 -6.941 -0.577 284 HA2 GLY 47 HA2 GLY 47 -4.413 -8.777 0.784 285 HA3 GLY 47 HA1 GLY 47 -3.684 -9.834 -0.416 286 H LEU 48 HN LEU 48 -1.935 -7.065 0.596 287 HA LEU 48 HA LEU 48 0.169 -8.774 1.631 288 HB2 LEU 48 HB2 LEU 48 0.146 -5.778 1.282 289 HB3 LEU 48 HB1 LEU 48 1.550 -6.791 1.534 290 HG LEU 48 HG LEU 48 -0.220 -6.867 -0.900 291 HD11 LEU 48 HD11 LEU 48 1.025 -4.784 -0.773 292 HD12 LEU 48 HD12 LEU 48 1.661 -5.817 -2.054 293 HD13 LEU 48 HD13 LEU 48 2.523 -5.682 -0.521 294 HD21 LEU 48 HD21 LEU 48 2.393 -8.244 -0.297 295 HD22 LEU 48 HD22 LEU 48 1.571 -8.253 -1.858 296 HD23 LEU 48 HD23 LEU 48 0.816 -9.016 -0.459 297 H LEU 49 HN LEU 49 1.408 -7.910 3.577 298 HA LEU 49 HA LEU 49 1.519 -7.496 5.805 299 HB2 LEU 49 HB2 LEU 49 0.427 -5.266 4.614 300 HB3 LEU 49 HB1 LEU 49 -0.707 -5.600 5.906 301 HG LEU 49 HG LEU 49 0.986 -3.971 6.580 302 HD11 LEU 49 HD11 LEU 49 0.020 -5.384 8.296 303 HD12 LEU 49 HD12 LEU 49 1.710 -5.034 8.659 304 HD13 LEU 49 HD13 LEU 49 1.255 -6.608 8.006 305 HD21 LEU 49 HD21 LEU 49 2.985 -6.191 6.196 306 HD22 LEU 49 HD22 LEU 49 3.311 -4.577 6.827 307 HD23 LEU 49 HD23 LEU 49 2.810 -4.784 5.150 308 H GLY 50 HN GLY 50 -0.321 -9.562 4.856 309 HA2 GLY 50 HA2 GLY 50 -1.606 -11.119 5.982 310 HA3 GLY 50 HA1 GLY 50 -1.629 -10.045 7.370 311 H TYR 51 HN TYR 51 -2.596 -8.234 4.761 312 HA TYR 51 HA TYR 51 -5.338 -8.253 5.617 313 HB2 TYR 51 HB2 TYR 51 -4.000 -6.894 3.274 314 HB3 TYR 51 HB1 TYR 51 -5.710 -6.709 3.670 315 HD1 TYR 51 HD1 TYR 51 -5.481 -4.278 3.916 316 HD2 TYR 51 HD2 TYR 51 -3.210 -6.964 6.290 317 HE1 TYR 51 HE1 TYR 51 -4.926 -2.445 5.452 318 HE2 TYR 51 HE2 TYR 51 -2.642 -5.149 7.823 319 HH TYR 51 HH TYR 51 -4.186 -2.060 7.673 320 H GLU 52 HN GLU 52 -6.827 -8.018 3.436 321 HA GLU 52 HA GLU 52 -6.579 -10.593 2.044 322 HB2 GLU 52 HB2 GLU 52 -9.130 -10.526 2.024 323 HB3 GLU 52 HB1 GLU 52 -8.360 -10.884 3.564 324 HG2 GLU 52 HG2 GLU 52 -8.712 -8.613 4.320 325 HG3 GLU 52 HG1 GLU 52 -9.383 -8.166 2.748 326 H ALA 53 HN ALA 53 -6.374 -10.351 -0.087 327 HA ALA 53 HA ALA 53 -6.777 -7.897 -1.447 328 HB1 ALA 53 HB1 ALA 53 -6.435 -9.196 -3.492 329 HB2 ALA 53 HB2 ALA 53 -6.584 -10.692 -2.571 330 HB3 ALA 53 HB3 ALA 53 -5.228 -9.602 -2.271 331 H ALA 54 HN ALA 54 -8.733 -7.010 -1.609 332 HA ALA 54 HA ALA 54 -11.000 -8.748 -2.308 333 HB1 ALA 54 HB1 ALA 54 -11.117 -6.604 -0.208 334 HB2 ALA 54 HB2 ALA 54 -10.889 -8.318 0.145 335 HB3 ALA 54 HB3 ALA 54 -12.375 -7.768 -0.628 336 H THR 55 HN THR 55 -13.047 -7.078 -2.549 337 HA THR 55 HA THR 55 -12.271 -5.529 -4.842 338 HB THR 55 HB THR 55 -14.670 -5.179 -5.167 339 HG1 THR 55 HG1 THR 55 -15.241 -6.782 -2.901 340 HG21 THR 55 HG21 THR 55 -15.390 -7.516 -5.426 341 HG22 THR 55 HG22 THR 55 -14.030 -8.036 -4.431 342 HG23 THR 55 HG23 THR 55 -13.738 -7.275 -5.994 343 H LEU 56 HN LEU 56 -13.344 -3.291 -5.028 344 HA LEU 56 HA LEU 56 -12.298 -1.611 -3.055 345 HB2 LEU 56 HB2 LEU 56 -14.525 -1.042 -4.994 346 HB3 LEU 56 HB1 LEU 56 -13.556 0.164 -4.164 347 HG LEU 56 HG LEU 56 -12.758 -1.669 -6.399 348 HD11 LEU 56 HD11 LEU 56 -11.971 0.422 -7.402 349 HD12 LEU 56 HD12 LEU 56 -12.534 1.310 -5.984 350 HD13 LEU 56 HD13 LEU 56 -13.692 0.477 -7.022 351 HD21 LEU 56 HD21 LEU 56 -10.432 -0.722 -6.024 352 HD22 LEU 56 HD22 LEU 56 -10.973 -1.985 -4.922 353 HD23 LEU 56 HD23 LEU 56 -10.987 -0.301 -4.402 354 H GLU 57 HN GLU 57 -15.476 -2.968 -3.545 355 HA GLU 57 HA GLU 57 -16.872 -1.587 -1.544 356 HB2 GLU 57 HB2 GLU 57 -17.249 -4.195 -2.964 357 HB3 GLU 57 HB1 GLU 57 -18.309 -3.760 -1.636 358 HG2 GLU 57 HG2 GLU 57 -19.009 -1.763 -2.792 359 HG3 GLU 57 HG1 GLU 57 -17.848 -2.068 -4.080 360 H ASP 58 HN ASP 58 -15.212 -4.726 -1.472 361 HA ASP 58 HA ASP 58 -15.864 -5.323 1.220 362 HB2 ASP 58 HB2 ASP 58 -13.627 -6.341 -0.532 363 HB3 ASP 58 HB1 ASP 58 -14.020 -7.003 1.048 364 H VAL 59 HN VAL 59 -12.896 -4.052 -0.273 365 HA VAL 59 HA VAL 59 -11.395 -3.976 2.110 366 HB VAL 59 HB VAL 59 -9.840 -2.509 0.905 367 HG11 VAL 59 HG11 VAL 59 -10.867 -4.768 -0.795 368 HG12 VAL 59 HG12 VAL 59 -9.779 -4.939 0.582 369 HG13 VAL 59 HG13 VAL 59 -9.252 -4.065 -0.855 370 HG21 VAL 59 HG21 VAL 59 -11.452 -1.142 -0.305 371 HG22 VAL 59 HG22 VAL 59 -11.920 -2.540 -1.274 372 HG23 VAL 59 HG23 VAL 59 -10.292 -1.874 -1.417 373 H GLY 60 HN GLY 60 -13.477 -1.600 0.573 374 HA2 GLY 60 HA2 GLY 60 -12.924 0.610 2.207 375 HA3 GLY 60 HA1 GLY 60 -14.471 0.286 1.427 376 H ARG 61 HN ARG 61 -15.165 -2.081 2.630 377 HA ARG 61 HA ARG 61 -16.234 -1.171 5.083 378 HB2 ARG 61 HB2 ARG 61 -16.148 -3.942 3.885 379 HB3 ARG 61 HB1 ARG 61 -17.083 -3.503 5.308 380 HG2 ARG 61 HG2 ARG 61 -18.415 -1.964 4.001 381 HG3 ARG 61 HG1 ARG 61 -17.438 -2.301 2.571 382 HD2 ARG 61 HD2 ARG 61 -18.157 -4.646 2.649 383 HD3 ARG 61 HD1 ARG 61 -19.152 -4.287 4.059 384 HE ARG 61 HE ARG 61 -20.037 -2.525 2.190 385 HH11 ARG 61 HH11 ARG 61 -19.609 -6.000 2.225 386 HH12 ARG 61 HH12 ARG 61 -20.921 -6.303 1.130 387 HH21 ARG 61 HH21 ARG 61 -21.772 -2.926 0.733 388 HH22 ARG 61 HH22 ARG 61 -22.147 -4.558 0.281 389 H GLU 62 HN GLU 62 -13.443 -3.092 4.224 390 HA GLU 62 HA GLU 62 -12.829 -4.193 6.722 391 HB2 GLU 62 HB2 GLU 62 -11.044 -3.326 4.453 392 HB3 GLU 62 HB1 GLU 62 -10.438 -4.146 5.882 393 HG2 GLU 62 HG2 GLU 62 -12.342 -5.220 3.823 394 HG3 GLU 62 HG1 GLU 62 -10.681 -5.742 4.150 395 H ILE 63 HN ILE 63 -11.747 -1.120 5.270 396 HA ILE 63 HA ILE 63 -10.281 -0.530 7.718 397 HB ILE 63 HB ILE 63 -9.153 1.190 6.551 398 HG12 ILE 63 HG12 ILE 63 -11.048 0.860 4.217 399 HG13 ILE 63 HG11 ILE 63 -11.224 2.119 5.438 400 HG21 ILE 63 HG21 ILE 63 -8.409 -1.030 5.953 401 HG22 ILE 63 HG22 ILE 63 -8.295 0.022 4.545 402 HG23 ILE 63 HG23 ILE 63 -9.622 -1.135 4.678 403 HD11 ILE 63 HD11 ILE 63 -8.842 1.746 3.635 404 HD12 ILE 63 HD12 ILE 63 -9.051 3.024 4.833 405 HD13 ILE 63 HD13 ILE 63 -10.117 2.947 3.431 406 H GLY 64 HN GLY 64 -13.246 0.232 6.222 407 HA2 GLY 64 HA2 GLY 64 -15.006 1.152 7.511 408 HA3 GLY 64 HA1 GLY 64 -13.825 2.054 8.445 409 H LEU 65 HN LEU 65 -13.426 2.076 5.036 410 HA LEU 65 HA LEU 65 -14.503 4.814 4.968 411 HB2 LEU 65 HB2 LEU 65 -11.929 3.715 3.986 412 HB3 LEU 65 HB1 LEU 65 -12.705 4.933 3.000 413 HG LEU 65 HG LEU 65 -11.117 6.035 4.371 414 HD11 LEU 65 HD11 LEU 65 -13.804 6.478 5.654 415 HD12 LEU 65 HD12 LEU 65 -13.298 7.153 4.106 416 HD13 LEU 65 HD13 LEU 65 -12.456 7.612 5.586 417 HD21 LEU 65 HD21 LEU 65 -10.831 4.299 6.066 418 HD22 LEU 65 HD22 LEU 65 -12.406 4.701 6.751 419 HD23 LEU 65 HD23 LEU 65 -11.093 5.878 6.806 420 H THR 66 HN THR 66 -14.560 5.507 2.505 421 HA THR 66 HA THR 66 -16.514 3.882 1.238 422 HB THR 66 HB THR 66 -15.035 6.007 -0.252 423 HG1 THR 66 HG1 THR 66 -16.856 6.492 1.903 424 HG21 THR 66 HG21 THR 66 -17.975 5.385 0.068 425 HG22 THR 66 HG22 THR 66 -16.955 4.853 -1.271 426 HG23 THR 66 HG23 THR 66 -17.273 6.572 -1.032 427 H ARG 67 HN ARG 67 -16.305 3.003 -0.937 428 HA ARG 67 HA ARG 67 -14.122 1.287 -1.280 429 HB2 ARG 67 HB2 ARG 67 -15.103 0.902 -3.544 430 HB3 ARG 67 HB1 ARG 67 -16.266 0.752 -2.237 431 HG2 ARG 67 HG2 ARG 67 -17.173 2.928 -2.731 432 HG3 ARG 67 HG1 ARG 67 -15.933 3.202 -3.954 433 HD2 ARG 67 HD2 ARG 67 -17.969 0.982 -4.052 434 HD3 ARG 67 HD1 ARG 67 -18.139 2.528 -4.883 435 HE ARG 67 HE ARG 67 -15.825 1.753 -5.872 436 HH11 ARG 67 HH11 ARG 67 -18.722 -0.137 -5.330 437 HH12 ARG 67 HH12 ARG 67 -18.406 -1.230 -6.639 438 HH21 ARG 67 HH21 ARG 67 -15.423 0.326 -7.613 439 HH22 ARG 67 HH22 ARG 67 -16.528 -0.971 -7.937 440 H GLU 68 HN GLU 68 -14.881 4.449 -2.475 441 HA GLU 68 HA GLU 68 -12.959 4.784 -4.466 442 HB2 GLU 68 HB2 GLU 68 -13.737 6.950 -2.531 443 HB3 GLU 68 HB1 GLU 68 -13.331 7.098 -4.226 444 HG2 GLU 68 HG2 GLU 68 -15.412 6.015 -4.848 445 HG3 GLU 68 HG1 GLU 68 -15.826 5.830 -3.143 446 H ARG 69 HN ARG 69 -12.844 5.546 -1.007 447 HA ARG 69 HA ARG 69 -10.410 6.823 -0.930 448 HB2 ARG 69 HB2 ARG 69 -11.523 5.065 1.261 449 HB3 ARG 69 HB1 ARG 69 -10.426 6.428 1.448 450 HG2 ARG 69 HG2 ARG 69 -13.310 6.530 0.582 451 HG3 ARG 69 HG1 ARG 69 -12.631 7.095 2.110 452 HD2 ARG 69 HD2 ARG 69 -11.398 8.820 0.994 453 HD3 ARG 69 HD1 ARG 69 -11.860 8.196 -0.586 454 HE ARG 69 HE ARG 69 -14.239 8.753 0.595 455 HH11 ARG 69 HH11 ARG 69 -11.319 10.602 0.050 456 HH12 ARG 69 HH12 ARG 69 -12.146 12.114 -0.086 457 HH21 ARG 69 HH21 ARG 69 -15.339 10.746 0.386 458 HH22 ARG 69 HH22 ARG 69 -14.435 12.199 0.112 459 H VAL 70 HN VAL 70 -11.039 3.372 -0.291 460 HA VAL 70 HA VAL 70 -8.372 2.698 0.216 461 HB VAL 70 HB VAL 70 -10.428 0.859 -0.999 462 HG11 VAL 70 HG11 VAL 70 -8.140 0.004 -0.976 463 HG12 VAL 70 HG12 VAL 70 -9.146 -0.873 0.174 464 HG13 VAL 70 HG13 VAL 70 -8.016 0.350 0.748 465 HG21 VAL 70 HG21 VAL 70 -11.395 1.951 0.940 466 HG22 VAL 70 HG22 VAL 70 -9.969 1.557 1.899 467 HG23 VAL 70 HG23 VAL 70 -11.020 0.268 1.315 468 H ARG 71 HN ARG 71 -10.251 2.453 -2.784 469 HA ARG 71 HA ARG 71 -8.146 1.445 -4.368 470 HB2 ARG 71 HB2 ARG 71 -10.327 1.155 -5.194 471 HB3 ARG 71 HB1 ARG 71 -10.735 2.843 -4.992 472 HG2 ARG 71 HG2 ARG 71 -10.507 2.487 -7.306 473 HG3 ARG 71 HG1 ARG 71 -9.044 3.332 -6.808 474 HD2 ARG 71 HD2 ARG 71 -7.879 1.145 -6.702 475 HD3 ARG 71 HD1 ARG 71 -9.334 0.377 -7.335 476 HE ARG 71 HE ARG 71 -8.286 2.539 -8.943 477 HH11 ARG 71 HH11 ARG 71 -8.367 -0.918 -8.401 478 HH12 ARG 71 HH12 ARG 71 -7.730 -1.301 -9.965 479 HH21 ARG 71 HH21 ARG 71 -7.468 2.026 -11.011 480 HH22 ARG 71 HH22 ARG 71 -7.238 0.364 -11.452 481 H GLN 72 HN GLN 72 -9.429 4.737 -4.028 482 HA GLN 72 HA GLN 72 -7.735 5.698 -6.116 483 HB2 GLN 72 HB2 GLN 72 -9.542 7.209 -4.231 484 HB3 GLN 72 HB1 GLN 72 -8.869 7.819 -5.744 485 HG2 GLN 72 HG2 GLN 72 -10.086 6.101 -6.976 486 HG3 GLN 72 HG1 GLN 72 -10.748 5.485 -5.463 487 HE21 GLN 72 HE21 GLN 72 -12.291 6.300 -7.613 488 HE22 GLN 72 HE22 GLN 72 -13.197 7.701 -7.156 489 H ILE 73 HN ILE 73 -7.717 6.000 -2.569 490 HA ILE 73 HA ILE 73 -5.531 7.789 -2.421 491 HB ILE 73 HB ILE 73 -6.234 5.580 -0.477 492 HG12 ILE 73 HG12 ILE 73 -7.990 7.406 -0.983 493 HG13 ILE 73 HG11 ILE 73 -7.592 7.084 0.699 494 HG21 ILE 73 HG21 ILE 73 -4.356 7.911 -0.300 495 HG22 ILE 73 HG22 ILE 73 -4.040 6.207 0.033 496 HG23 ILE 73 HG23 ILE 73 -5.033 7.156 1.138 497 HD11 ILE 73 HD11 ILE 73 -6.444 9.338 -0.924 498 HD12 ILE 73 HD12 ILE 73 -6.227 9.046 0.806 499 HD13 ILE 73 HD13 ILE 73 -7.819 9.471 0.173 500 H GLN 74 HN GLN 74 -5.753 4.321 -2.861 501 HA GLN 74 HA GLN 74 -2.960 3.788 -2.743 502 HB2 GLN 74 HB2 GLN 74 -4.378 1.934 -2.378 503 HB3 GLN 74 HB1 GLN 74 -5.352 2.298 -3.792 504 HG2 GLN 74 HG2 GLN 74 -2.596 1.758 -4.488 505 HG3 GLN 74 HG1 GLN 74 -3.333 0.421 -3.607 506 HE21 GLN 74 HE21 GLN 74 -6.003 1.040 -4.579 507 HE22 GLN 74 HE22 GLN 74 -6.045 0.523 -6.231 508 H VAL 75 HN VAL 75 -5.254 4.413 -5.359 509 HA VAL 75 HA VAL 75 -3.571 4.062 -7.548 510 HB VAL 75 HB VAL 75 -5.852 6.025 -7.235 511 HG11 VAL 75 HG11 VAL 75 -4.440 6.640 -9.122 512 HG12 VAL 75 HG12 VAL 75 -5.980 5.991 -9.685 513 HG13 VAL 75 HG13 VAL 75 -4.528 4.991 -9.741 514 HG21 VAL 75 HG21 VAL 75 -6.426 3.638 -6.856 515 HG22 VAL 75 HG22 VAL 75 -5.846 3.279 -8.484 516 HG23 VAL 75 HG23 VAL 75 -7.235 4.343 -8.255 517 H GLU 76 HN GLU 76 -4.255 7.057 -5.731 518 HA GLU 76 HA GLU 76 -2.409 8.643 -7.200 519 HB2 GLU 76 HB2 GLU 76 -2.701 10.302 -5.412 520 HB3 GLU 76 HB1 GLU 76 -4.247 9.662 -5.947 521 HG2 GLU 76 HG2 GLU 76 -4.340 8.210 -4.005 522 HG3 GLU 76 HG1 GLU 76 -2.770 8.807 -3.473 523 H GLY 77 HN GLY 77 -2.167 6.570 -4.427 524 HA2 GLY 77 HA2 GLY 77 0.277 7.534 -3.389 525 HA3 GLY 77 HA1 GLY 77 -0.427 5.955 -3.079 526 H LEU 78 HN LEU 78 -0.462 5.049 -5.788 527 HA LEU 78 HA LEU 78 1.953 3.696 -5.797 528 HB2 LEU 78 HB2 LEU 78 0.118 4.213 -8.129 529 HB3 LEU 78 HB1 LEU 78 1.380 2.999 -8.093 530 HG LEU 78 HG LEU 78 -1.087 3.055 -6.358 531 HD11 LEU 78 HD11 LEU 78 -0.245 1.182 -8.561 532 HD12 LEU 78 HD12 LEU 78 -1.496 2.419 -8.683 533 HD13 LEU 78 HD13 LEU 78 -1.709 1.053 -7.587 534 HD21 LEU 78 HD21 LEU 78 -0.319 0.872 -5.544 535 HD22 LEU 78 HD22 LEU 78 0.804 2.164 -5.116 536 HD23 LEU 78 HD23 LEU 78 1.182 1.073 -6.448 537 H ARG 79 HN ARG 79 1.255 6.792 -7.135 538 HA ARG 79 HA ARG 79 3.570 6.889 -8.838 539 HB2 ARG 79 HB2 ARG 79 1.830 9.154 -7.854 540 HB3 ARG 79 HB1 ARG 79 2.958 9.211 -9.200 541 HG2 ARG 79 HG2 ARG 79 1.607 7.601 -10.422 542 HG3 ARG 79 HG1 ARG 79 0.485 7.500 -9.064 543 HD2 ARG 79 HD2 ARG 79 1.070 9.928 -10.752 544 HD3 ARG 79 HD1 ARG 79 -0.409 8.969 -10.763 545 HE ARG 79 HE ARG 79 0.466 10.463 -8.373 546 HH11 ARG 79 HH11 ARG 79 -2.000 9.581 -10.697 547 HH12 ARG 79 HH12 ARG 79 -3.229 10.544 -9.947 548 HH21 ARG 79 HH21 ARG 79 -1.153 11.727 -7.381 549 HH22 ARG 79 HH22 ARG 79 -2.754 11.751 -8.048 550 H ARG 80 HN ARG 80 2.643 8.484 -5.787 551 HA ARG 80 HA ARG 80 5.182 9.734 -5.475 552 HB2 ARG 80 HB2 ARG 80 4.342 10.428 -3.302 553 HB3 ARG 80 HB1 ARG 80 3.105 10.660 -4.531 554 HG2 ARG 80 HG2 ARG 80 2.158 8.436 -3.809 555 HG3 ARG 80 HG1 ARG 80 3.255 8.523 -2.429 556 HD2 ARG 80 HD2 ARG 80 1.113 9.356 -1.769 557 HD3 ARG 80 HD1 ARG 80 2.247 10.697 -1.838 558 HE ARG 80 HE ARG 80 1.099 10.732 -4.290 559 HH11 ARG 80 HH11 ARG 80 -0.166 10.791 -1.025 560 HH12 ARG 80 HH12 ARG 80 -1.630 11.609 -1.475 561 HH21 ARG 80 HH21 ARG 80 -0.816 11.814 -4.875 562 HH22 ARG 80 HH22 ARG 80 -2.001 12.181 -3.663 563 H LEU 81 HN LEU 81 3.743 6.755 -4.381 564 HA LEU 81 HA LEU 81 5.349 6.074 -2.250 565 HB2 LEU 81 HB2 LEU 81 3.664 4.640 -4.169 566 HB3 LEU 81 HB1 LEU 81 4.904 3.654 -3.426 567 HG LEU 81 HG LEU 81 4.013 3.957 -1.262 568 HD11 LEU 81 HD11 LEU 81 3.613 6.350 -1.312 569 HD12 LEU 81 HD12 LEU 81 2.171 5.501 -0.758 570 HD13 LEU 81 HD13 LEU 81 2.251 6.119 -2.408 571 HD21 LEU 81 HD21 LEU 81 1.734 3.718 -3.214 572 HD22 LEU 81 HD22 LEU 81 1.670 3.273 -1.509 573 HD23 LEU 81 HD23 LEU 81 2.745 2.405 -2.607 574 H ARG 82 HN ARG 82 6.149 6.016 -5.630 575 HA ARG 82 HA ARG 82 8.359 4.276 -5.496 576 HB2 ARG 82 HB2 ARG 82 7.866 6.606 -7.355 577 HB3 ARG 82 HB1 ARG 82 9.109 5.382 -7.574 578 HG2 ARG 82 HG2 ARG 82 7.302 3.672 -7.656 579 HG3 ARG 82 HG1 ARG 82 6.133 4.985 -7.648 580 HD2 ARG 82 HD2 ARG 82 6.976 5.846 -9.712 581 HD3 ARG 82 HD1 ARG 82 8.333 4.721 -9.684 582 HE ARG 82 HE ARG 82 5.583 3.707 -9.835 583 HH11 ARG 82 HH11 ARG 82 8.758 4.077 -11.260 584 HH12 ARG 82 HH12 ARG 82 8.471 2.909 -12.509 585 HH21 ARG 82 HH21 ARG 82 5.207 2.163 -11.466 586 HH22 ARG 82 HH22 ARG 82 6.446 1.818 -12.631 587 H GLU 83 HN GLU 83 7.932 7.626 -4.656 588 HA GLU 83 HA GLU 83 10.549 8.551 -4.910 589 HB2 GLU 83 HB2 GLU 83 8.381 9.433 -3.005 590 HB3 GLU 83 HB1 GLU 83 9.867 10.326 -3.307 591 HG2 GLU 83 HG2 GLU 83 9.264 10.609 -5.633 592 HG3 GLU 83 HG1 GLU 83 7.814 9.635 -5.400 593 H ILE 84 HN ILE 84 8.985 7.185 -1.995 594 HA ILE 84 HA ILE 84 11.331 7.473 -0.402 595 HB ILE 84 HB ILE 84 8.642 6.463 0.016 596 HG12 ILE 84 HG12 ILE 84 9.494 6.999 2.473 597 HG13 ILE 84 HG11 ILE 84 10.791 7.790 1.584 598 HG21 ILE 84 HG21 ILE 84 10.815 4.896 1.407 599 HG22 ILE 84 HG22 ILE 84 9.644 4.264 0.250 600 HG23 ILE 84 HG23 ILE 84 9.097 4.865 1.818 601 HD11 ILE 84 HD11 ILE 84 9.124 9.404 2.085 602 HD12 ILE 84 HD12 ILE 84 7.847 8.372 1.434 603 HD13 ILE 84 HD13 ILE 84 9.055 9.076 0.352 604 H LEU 85 HN LEU 85 10.139 4.995 -2.536 605 HA LEU 85 HA LEU 85 11.859 2.977 -1.445 606 HB2 LEU 85 HB2 LEU 85 10.109 2.999 -3.901 607 HB3 LEU 85 HB1 LEU 85 10.957 1.588 -3.287 608 HG LEU 85 HG LEU 85 8.706 3.090 -1.954 609 HD11 LEU 85 HD11 LEU 85 8.964 0.231 -2.854 610 HD12 LEU 85 HD12 LEU 85 8.067 1.496 -3.692 611 HD13 LEU 85 HD13 LEU 85 7.555 0.965 -2.091 612 HD21 LEU 85 HD21 LEU 85 8.931 1.469 -0.115 613 HD22 LEU 85 HD22 LEU 85 10.334 2.528 -0.255 614 HD23 LEU 85 HD23 LEU 85 10.420 0.870 -0.849 615 H GLN 86 HN GLN 86 11.699 4.729 -4.549 616 HA GLN 86 HA GLN 86 13.971 3.478 -5.646 617 HB2 GLN 86 HB2 GLN 86 13.898 5.151 -7.359 618 HB3 GLN 86 HB1 GLN 86 12.243 4.731 -6.942 619 HG2 GLN 86 HG2 GLN 86 12.135 6.749 -5.522 620 HG3 GLN 86 HG1 GLN 86 13.751 7.183 -6.075 621 HE21 GLN 86 HE21 GLN 86 11.355 8.703 -6.392 622 HE22 GLN 86 HE22 GLN 86 11.087 8.885 -8.087 623 H THR 87 HN THR 87 13.611 6.186 -3.484 624 HA THR 87 HA THR 87 16.274 7.174 -3.846 625 HB THR 87 HB THR 87 14.203 8.467 -2.957 626 HG1 THR 87 HG1 THR 87 16.548 8.834 -1.396 627 HG21 THR 87 HG21 THR 87 13.984 8.560 -0.542 628 HG22 THR 87 HG22 THR 87 15.229 7.326 -0.360 629 HG23 THR 87 HG23 THR 87 13.686 6.917 -1.111 630 H GLN 88 HN GLN 88 14.928 4.533 -2.254 631 HA GLN 88 HA GLN 88 17.285 4.253 -0.514 632 HB2 GLN 88 HB2 GLN 88 14.431 3.371 -0.116 633 HB3 GLN 88 HB1 GLN 88 15.756 2.726 0.844 634 HG2 GLN 88 HG2 GLN 88 16.231 4.842 1.782 635 HG3 GLN 88 HG1 GLN 88 15.212 5.666 0.609 636 HE21 GLN 88 HE21 GLN 88 14.081 6.684 2.266 637 HE22 GLN 88 HE22 GLN 88 12.909 5.842 3.218 638 H GLY 89 HN GLY 89 16.333 3.305 -3.380 639 HA2 GLY 89 HA2 GLY 89 17.154 1.611 -4.721 640 HA3 GLY 89 HA1 GLY 89 17.902 0.899 -3.301 641 H LEU 90 HN LEU 90 14.519 1.632 -3.317 642 HA LEU 90 HA LEU 90 13.916 -1.250 -3.385 643 HB2 LEU 90 HB2 LEU 90 12.289 0.914 -2.069 644 HB3 LEU 90 HB1 LEU 90 12.175 -0.815 -1.822 645 HG LEU 90 HG LEU 90 14.601 0.795 -1.041 646 HD11 LEU 90 HD11 LEU 90 12.636 1.612 0.165 647 HD12 LEU 90 HD12 LEU 90 13.765 0.772 1.226 648 HD13 LEU 90 HD13 LEU 90 12.287 -0.033 0.699 649 HD21 LEU 90 HD21 LEU 90 13.640 -1.945 -0.245 650 HD22 LEU 90 HD22 LEU 90 15.082 -1.136 0.368 651 HD23 LEU 90 HD23 LEU 90 14.981 -1.587 -1.334 652 H ASN 91 HN ASN 91 11.723 -1.791 -4.275 653 HA ASN 91 HA ASN 91 10.865 0.206 -6.259 654 HB2 ASN 91 HB2 ASN 91 10.440 -1.596 -7.880 655 HB3 ASN 91 HB1 ASN 91 12.133 -1.518 -7.428 656 HD21 ASN 91 HD21 ASN 91 10.574 -3.703 -8.567 657 HD22 ASN 91 HD22 ASN 91 10.749 -5.033 -7.472 658 H ILE 92 HN ILE 92 8.802 0.657 -6.344 659 HA ILE 92 HA ILE 92 6.966 -0.411 -4.452 660 HB ILE 92 HB ILE 92 6.859 1.920 -5.283 661 HG12 ILE 92 HG12 ILE 92 4.442 0.155 -5.658 662 HG13 ILE 92 HG11 ILE 92 4.897 1.072 -4.227 663 HG21 ILE 92 HG21 ILE 92 5.942 0.625 -7.849 664 HG22 ILE 92 HG22 ILE 92 7.409 1.575 -7.608 665 HG23 ILE 92 HG23 ILE 92 5.828 2.348 -7.492 666 HD11 ILE 92 HD11 ILE 92 4.497 3.151 -5.486 667 HD12 ILE 92 HD12 ILE 92 3.061 2.141 -5.317 668 HD13 ILE 92 HD13 ILE 92 3.937 2.180 -6.847 669 H GLU 93 HN GLU 93 7.724 -1.132 -7.745 670 HA GLU 93 HA GLU 93 5.296 -2.335 -8.505 671 HB2 GLU 93 HB2 GLU 93 8.094 -2.765 -9.549 672 HB3 GLU 93 HB1 GLU 93 6.630 -3.354 -10.333 673 HG2 GLU 93 HG2 GLU 93 5.845 -1.002 -10.491 674 HG3 GLU 93 HG1 GLU 93 7.409 -0.487 -9.863 675 H ALA 94 HN ALA 94 7.529 -3.326 -6.254 676 HA ALA 94 HA ALA 94 7.410 -6.164 -6.675 677 HB1 ALA 94 HB1 ALA 94 9.319 -5.227 -5.560 678 HB2 ALA 94 HB2 ALA 94 8.448 -6.241 -4.406 679 HB3 ALA 94 HB3 ALA 94 8.294 -4.486 -4.336 680 H LEU 95 HN LEU 95 5.373 -3.804 -5.308 681 HA LEU 95 HA LEU 95 4.069 -5.425 -3.337 682 HB2 LEU 95 HB2 LEU 95 3.308 -2.825 -4.641 683 HB3 LEU 95 HB1 LEU 95 2.495 -3.536 -3.255 684 HG LEU 95 HG LEU 95 5.432 -2.916 -3.209 685 HD11 LEU 95 HD11 LEU 95 4.239 -0.880 -3.769 686 HD12 LEU 95 HD12 LEU 95 4.880 -0.821 -2.128 687 HD13 LEU 95 HD13 LEU 95 3.166 -1.127 -2.396 688 HD21 LEU 95 HD21 LEU 95 3.346 -3.262 -1.062 689 HD22 LEU 95 HD22 LEU 95 5.056 -2.909 -0.798 690 HD23 LEU 95 HD23 LEU 95 4.572 -4.445 -1.517 691 H PHE 96 HN PHE 96 3.530 -4.585 -6.688 692 HA PHE 96 HA PHE 96 1.100 -6.232 -6.688 693 HB2 PHE 96 HB2 PHE 96 1.213 -5.004 -9.157 694 HB3 PHE 96 HB1 PHE 96 0.195 -4.525 -7.804 695 HD1 PHE 96 HD1 PHE 96 1.172 -2.820 -6.160 696 HD2 PHE 96 HD2 PHE 96 2.760 -3.531 -10.041 697 HE1 PHE 96 HE1 PHE 96 2.249 -0.610 -6.117 698 HE2 PHE 96 HE2 PHE 96 3.844 -1.323 -10.005 699 HZ PHE 96 HZ PHE 96 3.590 0.142 -8.043 700 H ARG 97 HN ARG 97 4.107 -6.823 -6.968 701 HA ARG 97 HA ARG 97 4.059 -8.191 -9.540 702 HB2 ARG 97 HB2 ARG 97 6.083 -6.914 -8.826 703 HB3 ARG 97 HB1 ARG 97 6.276 -8.043 -7.498 704 HG2 ARG 97 HG2 ARG 97 7.776 -8.698 -9.223 705 HG3 ARG 97 HG1 ARG 97 6.458 -9.875 -9.192 706 HD2 ARG 97 HD2 ARG 97 5.393 -8.775 -11.071 707 HD3 ARG 97 HD1 ARG 97 6.638 -7.527 -11.075 708 HE ARG 97 HE ARG 97 7.596 -10.241 -11.411 709 HH11 ARG 97 HH11 ARG 97 6.523 -7.305 -12.979 710 HH12 ARG 97 HH12 ARG 97 7.338 -7.651 -14.471 711 HH21 ARG 97 HH21 ARG 97 8.662 -10.705 -13.383 712 HH22 ARG 97 HH22 ARG 97 8.540 -9.586 -14.705 713 H GLU 98 HN GLU 98 2.370 -9.602 -8.853 714 HA GLU 98 HA GLU 98 3.094 -11.596 -6.839 715 HB2 GLU 98 HB2 GLU 98 0.470 -11.148 -8.274 716 HB3 GLU 98 HB1 GLU 98 0.747 -12.297 -6.974 717 HG2 GLU 98 HG2 GLU 98 1.233 -10.437 -5.449 718 HG3 GLU 98 HG1 GLU 98 0.918 -9.296 -6.758 Start of MODEL 6 1 H1 GLY 13 HT1 GLY 13 18.384 -4.126 1.979 2 H2 GLY 13 HT2 GLY 13 17.003 -3.303 2.492 3 H3 GLY 13 HT3 GLY 13 17.997 -4.085 3.626 4 HA2 GLY 13 HA1 GLY 13 19.839 -2.566 2.970 5 HA3 GLY 13 HA2 GLY 13 18.656 -1.678 2.022 6 HA PRO 14 HA PRO 14 18.004 0.707 5.769 7 HB2 PRO 14 HB2 PRO 14 15.914 2.176 4.913 8 HB3 PRO 14 HB1 PRO 14 17.542 2.426 4.276 9 HG2 PRO 14 HG2 PRO 14 15.299 0.797 3.113 10 HG3 PRO 14 HG1 PRO 14 16.292 2.042 2.326 11 HD2 PRO 14 HD2 PRO 14 16.827 -0.563 2.028 12 HD3 PRO 14 HD1 PRO 14 18.129 0.640 2.151 13 H GLU 15 HN GLU 15 15.119 1.545 6.137 14 HA GLU 15 HA GLU 15 14.024 -0.277 7.839 15 HB2 GLU 15 HB2 GLU 15 13.063 1.940 7.448 16 HB3 GLU 15 HB1 GLU 15 12.551 1.457 5.839 17 HG2 GLU 15 HG2 GLU 15 10.656 1.440 7.294 18 HG3 GLU 15 HG1 GLU 15 11.052 -0.222 6.865 19 H ASP 16 HN ASP 16 13.843 -0.239 4.356 20 HA ASP 16 HA ASP 16 12.226 -2.217 3.560 21 HB2 ASP 16 HB2 ASP 16 13.507 -1.185 1.907 22 HB3 ASP 16 HB1 ASP 16 15.017 -1.490 2.760 23 H THR 17 HN THR 17 15.618 -3.000 4.176 24 HA THR 17 HA THR 17 16.713 -4.914 4.496 25 HB THR 17 HB THR 17 16.097 -6.329 6.286 26 HG1 THR 17 HG1 THR 17 13.515 -5.191 5.974 27 HG21 THR 17 HG21 THR 17 16.950 -4.137 6.886 28 HG22 THR 17 HG22 THR 17 15.789 -4.702 8.087 29 HG23 THR 17 HG23 THR 17 15.309 -3.492 6.897 30 H THR 18 HN THR 18 13.294 -5.600 3.725 31 HA THR 18 HA THR 18 14.211 -7.969 2.225 32 HB THR 18 HB THR 18 11.619 -7.874 3.766 33 HG1 THR 18 HG1 THR 18 13.501 -7.789 5.168 34 HG21 THR 18 HG21 THR 18 11.761 -9.455 1.868 35 HG22 THR 18 HG22 THR 18 11.637 -10.281 3.423 36 HG23 THR 18 HG23 THR 18 13.195 -10.174 2.605 37 H GLN 19 HN GLN 19 13.644 -7.854 0.148 38 HA GLN 19 HA GLN 19 11.467 -6.026 -0.592 39 HB2 GLN 19 HB2 GLN 19 13.935 -6.852 -2.108 40 HB3 GLN 19 HB1 GLN 19 12.636 -5.882 -2.796 41 HG2 GLN 19 HG2 GLN 19 13.070 -4.075 -1.374 42 HG3 GLN 19 HG1 GLN 19 14.060 -5.056 -0.292 43 HE21 GLN 19 HE21 GLN 19 15.821 -3.733 -0.422 44 HE22 GLN 19 HE22 GLN 19 16.795 -3.590 -1.854 45 H ASP 20 HN ASP 20 9.947 -7.743 -0.243 46 HA ASP 20 HA ASP 20 9.326 -9.006 -2.744 47 HB2 ASP 20 HB2 ASP 20 9.056 -11.302 -1.846 48 HB3 ASP 20 HB1 ASP 20 10.729 -10.768 -1.833 49 H ASP 21 HN ASP 21 7.398 -10.837 -1.137 50 HA ASP 21 HA ASP 21 5.143 -9.230 -0.933 51 HB2 ASP 21 HB2 ASP 21 5.052 -11.682 -0.782 52 HB3 ASP 21 HB1 ASP 21 5.890 -11.630 0.762 53 H ASP 22 HN ASP 22 7.688 -9.891 1.366 54 HA ASP 22 HA ASP 22 6.572 -8.595 3.616 55 HB2 ASP 22 HB2 ASP 22 8.486 -10.282 3.528 56 HB3 ASP 22 HB1 ASP 22 9.515 -8.930 3.078 57 H MET 23 HN MET 23 8.127 -7.362 0.792 58 HA MET 23 HA MET 23 9.362 -5.029 1.630 59 HB2 MET 23 HB2 MET 23 9.719 -5.367 -0.588 60 HB3 MET 23 HB1 MET 23 8.092 -5.940 -0.884 61 HG2 MET 23 HG2 MET 23 8.455 -3.924 -2.104 62 HG3 MET 23 HG1 MET 23 7.304 -3.602 -0.813 63 HE1 MET 23 HE1 MET 23 11.726 -2.292 -0.668 64 HE2 MET 23 HE2 MET 23 11.023 -3.204 -2.005 65 HE3 MET 23 HE3 MET 23 11.208 -3.956 -0.421 66 H LYS 24 HN LYS 24 6.031 -5.774 1.664 67 HA LYS 24 HA LYS 24 4.909 -3.255 1.458 68 HB2 LYS 24 HB2 LYS 24 3.634 -5.381 1.516 69 HB3 LYS 24 HB1 LYS 24 3.951 -5.492 3.243 70 HG2 LYS 24 HG2 LYS 24 1.717 -4.593 2.723 71 HG3 LYS 24 HG1 LYS 24 2.716 -3.472 3.652 72 HD2 LYS 24 HD2 LYS 24 3.344 -2.397 1.457 73 HD3 LYS 24 HD1 LYS 24 2.088 -3.382 0.707 74 HE2 LYS 24 HE2 LYS 24 1.310 -1.137 1.243 75 HE3 LYS 24 HE1 LYS 24 0.425 -2.368 2.140 76 HZ1 LYS 24 HZ1 LYS 24 2.613 -0.657 3.181 77 HZ2 LYS 24 HZ2 LYS 24 1.878 -1.907 4.048 78 HZ3 LYS 24 HZ3 LYS 24 0.971 -0.557 3.581 79 H GLN 25 HN GLN 25 6.796 -4.606 4.060 80 HA GLN 25 HA GLN 25 5.937 -2.787 6.071 81 HB2 GLN 25 HB2 GLN 25 8.075 -3.393 7.216 82 HB3 GLN 25 HB1 GLN 25 7.008 -4.738 6.841 83 HG2 GLN 25 HG2 GLN 25 8.750 -5.704 5.925 84 HG3 GLN 25 HG1 GLN 25 8.583 -4.522 4.632 85 HE21 GLN 25 HE21 GLN 25 9.917 -2.695 4.633 86 HE22 GLN 25 HE22 GLN 25 11.430 -2.701 5.469 87 H SER 26 HN SER 26 8.323 -2.593 3.519 88 HA SER 26 HA SER 26 9.510 -0.170 4.395 89 HB2 SER 26 HB2 SER 26 10.574 -1.547 2.680 90 HB3 SER 26 HB1 SER 26 9.216 -1.291 1.590 91 HG SER 26 HG SER 26 10.680 0.196 0.991 92 H ILE 27 HN ILE 27 6.587 -0.976 2.689 93 HA ILE 27 HA ILE 27 5.936 1.766 2.077 94 HB ILE 27 HB ILE 27 3.942 -0.476 2.149 95 HG12 ILE 27 HG12 ILE 27 5.884 -1.331 0.907 96 HG13 ILE 27 HG11 ILE 27 4.528 -1.007 -0.174 97 HG21 ILE 27 HG21 ILE 27 3.121 1.790 1.791 98 HG22 ILE 27 HG22 ILE 27 2.911 0.806 0.346 99 HG23 ILE 27 HG23 ILE 27 4.221 1.982 0.425 100 HD11 ILE 27 HD11 ILE 27 5.577 1.084 -0.864 101 HD12 ILE 27 HD12 ILE 27 6.619 -0.310 -1.163 102 HD13 ILE 27 HD13 ILE 27 6.936 0.751 0.212 103 H VAL 28 HN VAL 28 5.738 -0.298 4.758 104 HA VAL 28 HA VAL 28 3.657 0.988 6.201 105 HB VAL 28 HB VAL 28 6.088 -0.556 7.124 106 HG11 VAL 28 HG11 VAL 28 5.366 0.984 8.873 107 HG12 VAL 28 HG12 VAL 28 5.045 -0.696 9.311 108 HG13 VAL 28 HG13 VAL 28 3.725 0.340 8.765 109 HG21 VAL 28 HG21 VAL 28 3.189 -1.384 7.051 110 HG22 VAL 28 HG22 VAL 28 4.586 -2.398 7.431 111 HG23 VAL 28 HG23 VAL 28 4.365 -1.774 5.795 112 H LYS 29 HN LYS 29 7.047 1.551 5.670 113 HA LYS 29 HA LYS 29 7.499 3.698 7.386 114 HB2 LYS 29 HB2 LYS 29 9.448 3.008 6.421 115 HB3 LYS 29 HB1 LYS 29 8.675 2.604 4.900 116 HG2 LYS 29 HG2 LYS 29 10.153 4.337 4.402 117 HG3 LYS 29 HG1 LYS 29 8.564 5.100 4.465 118 HD2 LYS 29 HD2 LYS 29 9.042 5.814 6.778 119 HD3 LYS 29 HD1 LYS 29 10.661 5.124 6.629 120 HE2 LYS 29 HE2 LYS 29 11.062 6.618 4.693 121 HE3 LYS 29 HE1 LYS 29 9.487 7.361 4.984 122 HZ1 LYS 29 HZ1 LYS 29 11.206 8.679 5.995 123 HZ2 LYS 29 HZ2 LYS 29 11.797 7.347 6.853 124 HZ3 LYS 29 HZ3 LYS 29 10.270 7.974 7.218 125 H TRP 30 HN TRP 30 5.943 3.510 4.243 126 HA TRP 30 HA TRP 30 5.745 6.264 3.708 127 HB2 TRP 30 HB2 TRP 30 4.550 3.795 2.654 128 HB3 TRP 30 HB1 TRP 30 3.553 5.235 2.460 129 HD1 TRP 30 HD1 TRP 30 6.371 3.439 0.869 130 HE1 TRP 30 HE1 TRP 30 7.422 4.892 -0.964 131 HE3 TRP 30 HE3 TRP 30 4.192 7.919 2.011 132 HZ2 TRP 30 HZ2 TRP 30 7.337 7.575 -1.822 133 HZ3 TRP 30 HZ3 TRP 30 4.730 9.877 0.628 134 HH2 TRP 30 HH2 TRP 30 6.276 9.709 -1.245 135 H LEU 31 HN LEU 31 3.938 4.180 5.809 136 HA LEU 31 HA LEU 31 1.562 5.676 6.000 137 HB2 LEU 31 HB2 LEU 31 1.001 3.908 7.238 138 HB3 LEU 31 HB1 LEU 31 2.667 3.361 7.199 139 HG LEU 31 HG LEU 31 3.008 4.940 9.227 140 HD11 LEU 31 HD11 LEU 31 0.832 6.071 9.040 141 HD12 LEU 31 HD12 LEU 31 1.058 5.295 10.607 142 HD13 LEU 31 HD13 LEU 31 0.025 4.542 9.393 143 HD21 LEU 31 HD21 LEU 31 2.371 3.164 10.753 144 HD22 LEU 31 HD22 LEU 31 3.121 2.499 9.302 145 HD23 LEU 31 HD23 LEU 31 1.372 2.428 9.502 146 H PHE 32 HN PHE 32 4.670 5.918 7.605 147 HA PHE 32 HA PHE 32 3.787 7.971 9.421 148 HB2 PHE 32 HB2 PHE 32 6.602 7.084 8.753 149 HB3 PHE 32 HB1 PHE 32 6.117 8.056 10.137 150 HD1 PHE 32 HD1 PHE 32 6.896 4.830 9.050 151 HD2 PHE 32 HD2 PHE 32 4.283 6.928 11.669 152 HE1 PHE 32 HE1 PHE 32 6.569 2.774 10.362 153 HE2 PHE 32 HE2 PHE 32 3.953 4.879 12.987 154 HZ PHE 32 HZ PHE 32 5.097 2.799 12.337 155 H GLU 33 HN GLU 33 4.416 7.931 6.196 156 HA GLU 33 HA GLU 33 5.693 10.562 6.157 157 HB2 GLU 33 HB2 GLU 33 6.682 8.700 4.810 158 HB3 GLU 33 HB1 GLU 33 5.215 8.686 3.842 159 HG2 GLU 33 HG2 GLU 33 6.906 9.914 2.679 160 HG3 GLU 33 HG1 GLU 33 5.652 11.033 3.211 161 H LEU 34 HN LEU 34 2.947 8.838 4.592 162 HA LEU 34 HA LEU 34 1.890 11.510 3.923 163 HB2 LEU 34 HB2 LEU 34 2.185 9.082 2.411 164 HB3 LEU 34 HB1 LEU 34 0.508 9.591 2.427 165 HG LEU 34 HG LEU 34 1.864 10.429 0.480 166 HD11 LEU 34 HD11 LEU 34 -0.220 11.500 1.160 167 HD12 LEU 34 HD12 LEU 34 0.942 12.684 0.566 168 HD13 LEU 34 HD13 LEU 34 0.666 12.513 2.299 169 HD21 LEU 34 HD21 LEU 34 3.067 12.356 2.445 170 HD22 LEU 34 HD22 LEU 34 3.495 12.095 0.753 171 HD23 LEU 34 HD23 LEU 34 3.891 10.877 1.966 172 H ASN 35 HN ASN 35 1.053 8.403 5.293 173 HA ASN 35 HA ASN 35 -0.662 9.098 7.216 174 HB2 ASN 35 HB2 ASN 35 -2.967 8.805 6.313 175 HB3 ASN 35 HB1 ASN 35 -2.178 10.262 5.728 176 HD21 ASN 35 HD21 ASN 35 -3.497 10.424 3.951 177 HD22 ASN 35 HD22 ASN 35 -3.383 9.350 2.599 178 H ALA 36 HN ALA 36 -2.271 7.302 7.803 179 HA ALA 36 HA ALA 36 -0.934 4.812 7.586 180 HB1 ALA 36 HB1 ALA 36 -3.730 5.360 8.558 181 HB2 ALA 36 HB2 ALA 36 -2.269 5.447 9.542 182 HB3 ALA 36 HB3 ALA 36 -2.781 3.905 8.860 183 H LYS 37 HN LYS 37 -3.430 6.348 5.757 184 HA LYS 37 HA LYS 37 -4.699 4.172 4.610 185 HB2 LYS 37 HB2 LYS 37 -4.155 6.921 3.509 186 HB3 LYS 37 HB1 LYS 37 -5.143 5.733 2.666 187 HG2 LYS 37 HG2 LYS 37 -5.693 6.730 5.448 188 HG3 LYS 37 HG1 LYS 37 -6.452 7.365 3.989 189 HD2 LYS 37 HD2 LYS 37 -7.649 5.417 3.613 190 HD3 LYS 37 HD1 LYS 37 -6.555 4.432 4.580 191 HE2 LYS 37 HE2 LYS 37 -8.403 6.537 5.685 192 HE3 LYS 37 HE1 LYS 37 -8.753 4.809 5.657 193 HZ1 LYS 37 HZ1 LYS 37 -6.512 6.126 7.093 194 HZ2 LYS 37 HZ2 LYS 37 -6.752 4.449 7.011 195 HZ3 LYS 37 HZ3 LYS 37 -7.887 5.435 7.793 196 H GLN 38 HN GLN 38 -1.854 5.936 3.319 197 HA GLN 38 HA GLN 38 -1.578 4.339 1.040 198 HB2 GLN 38 HB2 GLN 38 0.549 5.840 2.570 199 HB3 GLN 38 HB1 GLN 38 0.734 5.219 0.930 200 HG2 GLN 38 HG2 GLN 38 -1.324 7.241 1.786 201 HG3 GLN 38 HG1 GLN 38 0.198 7.614 0.981 202 HE21 GLN 38 HE21 GLN 38 -1.083 8.597 -0.670 203 HE22 GLN 38 HE22 GLN 38 -1.838 7.628 -1.888 204 H ARG 39 HN ARG 39 -0.576 3.743 4.329 205 HA ARG 39 HA ARG 39 0.947 1.407 3.760 206 HB2 ARG 39 HB2 ARG 39 1.086 2.465 5.953 207 HB3 ARG 39 HB1 ARG 39 -0.619 2.140 6.244 208 HG2 ARG 39 HG2 ARG 39 0.207 -0.357 5.779 209 HG3 ARG 39 HG1 ARG 39 1.717 0.326 6.380 210 HD2 ARG 39 HD2 ARG 39 0.496 1.133 8.381 211 HD3 ARG 39 HD1 ARG 39 -0.950 0.325 7.786 212 HE ARG 39 HE ARG 39 1.513 -1.188 8.371 213 HH11 ARG 39 HH11 ARG 39 -1.901 -0.610 8.871 214 HH12 ARG 39 HH12 ARG 39 -2.144 -2.057 9.785 215 HH21 ARG 39 HH21 ARG 39 1.194 -3.096 9.597 216 HH22 ARG 39 HH22 ARG 39 -0.385 -3.462 10.213 217 H GLU 40 HN GLU 40 -2.441 1.834 4.826 218 HA GLU 40 HA GLU 40 -2.858 -1.001 4.732 219 HB2 GLU 40 HB2 GLU 40 -5.152 -0.496 5.453 220 HB3 GLU 40 HB1 GLU 40 -3.933 0.266 6.460 221 HG2 GLU 40 HG2 GLU 40 -4.308 2.372 5.194 222 HG3 GLU 40 HG1 GLU 40 -5.651 1.578 4.370 223 H VAL 41 HN VAL 41 -3.751 1.646 2.536 224 HA VAL 41 HA VAL 41 -5.784 0.321 1.169 225 HB VAL 41 HB VAL 41 -5.362 1.855 -0.700 226 HG11 VAL 41 HG11 VAL 41 -5.287 3.260 1.948 227 HG12 VAL 41 HG12 VAL 41 -6.713 2.469 1.279 228 HG13 VAL 41 HG13 VAL 41 -5.994 3.846 0.441 229 HG21 VAL 41 HG21 VAL 41 -3.024 2.789 0.948 230 HG22 VAL 41 HG22 VAL 41 -3.658 3.612 -0.478 231 HG23 VAL 41 HG23 VAL 41 -2.946 2.005 -0.630 232 H LEU 42 HN LEU 42 -2.294 0.382 0.418 233 HA LEU 42 HA LEU 42 -2.469 -1.200 -1.905 234 HB2 LEU 42 HB2 LEU 42 -0.179 -1.225 0.045 235 HB3 LEU 42 HB1 LEU 42 -0.124 -1.623 -1.655 236 HG LEU 42 HG LEU 42 -0.429 1.104 -0.420 237 HD11 LEU 42 HD11 LEU 42 1.703 1.493 -1.161 238 HD12 LEU 42 HD12 LEU 42 1.603 0.271 -2.424 239 HD13 LEU 42 HD13 LEU 42 1.803 -0.218 -0.741 240 HD21 LEU 42 HD21 LEU 42 -0.495 1.970 -2.712 241 HD22 LEU 42 HD22 LEU 42 -1.904 0.971 -2.352 242 HD23 LEU 42 HD23 LEU 42 -0.588 0.319 -3.329 243 H ALA 43 HN ALA 43 -1.870 -1.995 1.473 244 HA ALA 43 HA ALA 43 -1.363 -4.724 1.129 245 HB1 ALA 43 HB1 ALA 43 -0.793 -3.504 3.175 246 HB2 ALA 43 HB2 ALA 43 -1.775 -4.927 3.526 247 HB3 ALA 43 HB3 ALA 43 -2.508 -3.322 3.547 248 H ARG 44 HN ARG 44 -4.351 -2.926 1.433 249 HA ARG 44 HA ARG 44 -5.879 -5.319 1.915 250 HB2 ARG 44 HB2 ARG 44 -6.363 -3.083 2.942 251 HB3 ARG 44 HB1 ARG 44 -6.898 -2.543 1.358 252 HG2 ARG 44 HG2 ARG 44 -8.704 -4.025 1.347 253 HG3 ARG 44 HG1 ARG 44 -8.060 -4.951 2.703 254 HD2 ARG 44 HD2 ARG 44 -8.908 -2.070 2.882 255 HD3 ARG 44 HD1 ARG 44 -9.959 -3.427 3.269 256 HE ARG 44 HE ARG 44 -7.939 -2.310 4.922 257 HH11 ARG 44 HH11 ARG 44 -9.362 -5.401 4.071 258 HH12 ARG 44 HH12 ARG 44 -9.060 -6.108 5.625 259 HH21 ARG 44 HH21 ARG 44 -7.572 -3.241 6.977 260 HH22 ARG 44 HH22 ARG 44 -8.053 -4.884 7.272 261 H ARG 45 HN ARG 45 -5.188 -3.203 -0.834 262 HA ARG 45 HA ARG 45 -7.104 -4.648 -2.454 263 HB2 ARG 45 HB2 ARG 45 -5.304 -2.323 -2.910 264 HB3 ARG 45 HB1 ARG 45 -5.871 -3.229 -4.308 265 HG2 ARG 45 HG2 ARG 45 -7.686 -2.064 -2.207 266 HG3 ARG 45 HG1 ARG 45 -7.270 -1.256 -3.721 267 HD2 ARG 45 HD2 ARG 45 -8.624 -3.955 -3.492 268 HD3 ARG 45 HD1 ARG 45 -9.432 -2.428 -3.845 269 HE ARG 45 HE ARG 45 -8.007 -2.337 -5.893 270 HH11 ARG 45 HH11 ARG 45 -8.860 -5.426 -4.450 271 HH12 ARG 45 HH12 ARG 45 -8.585 -6.311 -5.915 272 HH21 ARG 45 HH21 ARG 45 -7.658 -3.521 -7.800 273 HH22 ARG 45 HH22 ARG 45 -7.906 -5.239 -7.805 274 H PHE 46 HN PHE 46 -3.750 -4.950 -1.682 275 HA PHE 46 HA PHE 46 -3.404 -6.780 -3.955 276 HB2 PHE 46 HB2 PHE 46 -1.267 -5.727 -2.087 277 HB3 PHE 46 HB1 PHE 46 -1.006 -6.661 -3.553 278 HD1 PHE 46 HD1 PHE 46 -0.037 -3.818 -2.580 279 HD2 PHE 46 HD2 PHE 46 -2.995 -5.188 -5.317 280 HE1 PHE 46 HE1 PHE 46 0.175 -1.724 -3.839 281 HE2 PHE 46 HE2 PHE 46 -2.802 -3.085 -6.577 282 HZ PHE 46 HZ PHE 46 -1.216 -1.350 -5.842 283 H GLY 47 HN GLY 47 -3.735 -6.715 -0.532 284 HA2 GLY 47 HA2 GLY 47 -4.269 -8.592 0.773 285 HA3 GLY 47 HA1 GLY 47 -3.596 -9.629 -0.475 286 H LEU 48 HN LEU 48 -1.807 -6.885 0.646 287 HA LEU 48 HA LEU 48 0.333 -8.668 1.499 288 HB2 LEU 48 HB2 LEU 48 0.374 -5.659 1.325 289 HB3 LEU 48 HB1 LEU 48 1.754 -6.733 1.421 290 HG LEU 48 HG LEU 48 -0.152 -6.616 -0.907 291 HD11 LEU 48 HD11 LEU 48 2.590 -5.416 -0.580 292 HD12 LEU 48 HD12 LEU 48 1.069 -4.532 -0.704 293 HD13 LEU 48 HD13 LEU 48 1.663 -5.464 -2.079 294 HD21 LEU 48 HD21 LEU 48 1.562 -7.924 -2.055 295 HD22 LEU 48 HD22 LEU 48 0.957 -8.776 -0.635 296 HD23 LEU 48 HD23 LEU 48 2.522 -7.969 -0.577 297 H LEU 49 HN LEU 49 1.601 -8.060 3.459 298 HA LEU 49 HA LEU 49 1.831 -7.661 5.680 299 HB2 LEU 49 HB2 LEU 49 0.749 -5.366 4.627 300 HB3 LEU 49 HB1 LEU 49 -0.376 -5.740 5.915 301 HG LEU 49 HG LEU 49 1.344 -4.162 6.636 302 HD11 LEU 49 HD11 LEU 49 1.568 -6.857 7.952 303 HD12 LEU 49 HD12 LEU 49 0.391 -5.596 8.320 304 HD13 LEU 49 HD13 LEU 49 2.102 -5.331 8.657 305 HD21 LEU 49 HD21 LEU 49 3.159 -4.871 5.182 306 HD22 LEU 49 HD22 LEU 49 3.295 -6.387 6.069 307 HD23 LEU 49 HD23 LEU 49 3.674 -4.862 6.869 308 H GLY 50 HN GLY 50 -0.164 -9.601 4.638 309 HA2 GLY 50 HA2 GLY 50 -1.437 -11.202 5.730 310 HA3 GLY 50 HA1 GLY 50 -1.359 -10.226 7.188 311 H TYR 51 HN TYR 51 -2.314 -8.238 4.718 312 HA TYR 51 HA TYR 51 -5.010 -8.085 5.640 313 HB2 TYR 51 HB2 TYR 51 -3.485 -6.788 3.414 314 HB3 TYR 51 HB1 TYR 51 -5.227 -6.610 3.515 315 HD1 TYR 51 HD1 TYR 51 -5.733 -4.502 4.175 316 HD2 TYR 51 HD2 TYR 51 -2.531 -6.498 6.128 317 HE1 TYR 51 HE1 TYR 51 -5.490 -2.599 5.694 318 HE2 TYR 51 HE2 TYR 51 -2.275 -4.587 7.660 319 HH TYR 51 HH TYR 51 -4.610 -2.090 7.882 320 H GLU 52 HN GLU 52 -6.827 -8.067 3.994 321 HA GLU 52 HA GLU 52 -6.618 -10.474 2.324 322 HB2 GLU 52 HB2 GLU 52 -9.079 -10.614 2.500 323 HB3 GLU 52 HB1 GLU 52 -8.289 -10.701 4.066 324 HG2 GLU 52 HG2 GLU 52 -8.880 -8.405 4.534 325 HG3 GLU 52 HG1 GLU 52 -9.577 -8.229 2.923 326 H ALA 53 HN ALA 53 -6.533 -10.169 0.217 327 HA ALA 53 HA ALA 53 -7.072 -7.632 -0.986 328 HB1 ALA 53 HB1 ALA 53 -6.571 -10.320 -2.273 329 HB2 ALA 53 HB2 ALA 53 -5.352 -9.102 -1.899 330 HB3 ALA 53 HB3 ALA 53 -6.589 -8.769 -3.110 331 H ALA 54 HN ALA 54 -8.934 -6.896 -1.753 332 HA ALA 54 HA ALA 54 -11.123 -8.742 -2.351 333 HB1 ALA 54 HB1 ALA 54 -11.203 -8.222 0.084 334 HB2 ALA 54 HB2 ALA 54 -12.641 -7.733 -0.811 335 HB3 ALA 54 HB3 ALA 54 -11.440 -6.525 -0.346 336 H THR 55 HN THR 55 -13.215 -6.980 -2.643 337 HA THR 55 HA THR 55 -12.330 -5.517 -4.976 338 HB THR 55 HB THR 55 -14.692 -5.168 -5.441 339 HG1 THR 55 HG1 THR 55 -15.442 -6.658 -3.155 340 HG21 THR 55 HG21 THR 55 -14.178 -8.003 -4.536 341 HG22 THR 55 HG22 THR 55 -13.757 -7.324 -6.108 342 HG23 THR 55 HG23 THR 55 -15.451 -7.493 -5.647 343 H LEU 56 HN LEU 56 -13.536 -3.284 -5.192 344 HA LEU 56 HA LEU 56 -12.386 -1.624 -3.243 345 HB2 LEU 56 HB2 LEU 56 -14.577 -1.019 -5.206 346 HB3 LEU 56 HB1 LEU 56 -13.613 0.178 -4.356 347 HG LEU 56 HG LEU 56 -12.807 -1.644 -6.585 348 HD11 LEU 56 HD11 LEU 56 -12.527 1.310 -6.055 349 HD12 LEU 56 HD12 LEU 56 -13.608 0.525 -7.213 350 HD13 LEU 56 HD13 LEU 56 -11.862 0.465 -7.457 351 HD21 LEU 56 HD21 LEU 56 -11.076 -2.082 -5.063 352 HD22 LEU 56 HD22 LEU 56 -11.034 -0.414 -4.498 353 HD23 LEU 56 HD23 LEU 56 -10.450 -0.812 -6.116 354 H GLU 57 HN GLU 57 -15.659 -2.803 -3.707 355 HA GLU 57 HA GLU 57 -16.917 -1.383 -1.640 356 HB2 GLU 57 HB2 GLU 57 -17.467 -3.912 -3.124 357 HB3 GLU 57 HB1 GLU 57 -18.438 -3.526 -1.715 358 HG2 GLU 57 HG2 GLU 57 -19.233 -1.524 -2.708 359 HG3 GLU 57 HG1 GLU 57 -18.045 -1.623 -4.008 360 H ASP 58 HN ASP 58 -15.491 -4.647 -1.665 361 HA ASP 58 HA ASP 58 -16.099 -5.272 1.011 362 HB2 ASP 58 HB2 ASP 58 -13.936 -6.299 -0.824 363 HB3 ASP 58 HB1 ASP 58 -14.222 -6.956 0.780 364 H VAL 59 HN VAL 59 -13.134 -3.968 -0.449 365 HA VAL 59 HA VAL 59 -11.628 -4.004 1.937 366 HB VAL 59 HB VAL 59 -10.025 -2.550 0.782 367 HG11 VAL 59 HG11 VAL 59 -11.087 -4.670 -1.069 368 HG12 VAL 59 HG12 VAL 59 -10.103 -4.995 0.356 369 HG13 VAL 59 HG13 VAL 59 -9.435 -4.061 -0.983 370 HG21 VAL 59 HG21 VAL 59 -12.081 -2.439 -1.417 371 HG22 VAL 59 HG22 VAL 59 -10.445 -1.785 -1.493 372 HG23 VAL 59 HG23 VAL 59 -11.620 -1.098 -0.370 373 H GLY 60 HN GLY 60 -13.674 -1.529 0.470 374 HA2 GLY 60 HA2 GLY 60 -12.942 0.605 2.174 375 HA3 GLY 60 HA1 GLY 60 -14.466 0.462 1.303 376 H ARG 61 HN ARG 61 -15.375 -1.923 2.438 377 HA ARG 61 HA ARG 61 -16.655 -0.973 4.747 378 HB2 ARG 61 HB2 ARG 61 -16.357 -3.797 3.712 379 HB3 ARG 61 HB1 ARG 61 -17.459 -3.318 4.995 380 HG2 ARG 61 HG2 ARG 61 -18.711 -1.944 3.480 381 HG3 ARG 61 HG1 ARG 61 -17.539 -2.229 2.193 382 HD2 ARG 61 HD2 ARG 61 -18.087 -4.654 2.320 383 HD3 ARG 61 HD1 ARG 61 -19.360 -4.261 3.476 384 HE ARG 61 HE ARG 61 -19.886 -2.663 1.332 385 HH11 ARG 61 HH11 ARG 61 -19.465 -6.117 1.764 386 HH12 ARG 61 HH12 ARG 61 -20.518 -6.533 0.449 387 HH21 ARG 61 HH21 ARG 61 -21.250 -3.210 -0.403 388 HH22 ARG 61 HH22 ARG 61 -21.530 -4.876 -0.785 389 H GLU 62 HN GLU 62 -13.824 -2.985 4.276 390 HA GLU 62 HA GLU 62 -13.610 -3.974 6.904 391 HB2 GLU 62 HB2 GLU 62 -11.601 -3.647 4.690 392 HB3 GLU 62 HB1 GLU 62 -11.192 -4.375 6.236 393 HG2 GLU 62 HG2 GLU 62 -13.270 -5.364 4.298 394 HG3 GLU 62 HG1 GLU 62 -11.680 -6.076 4.587 395 H ILE 63 HN ILE 63 -12.584 -0.951 5.472 396 HA ILE 63 HA ILE 63 -11.162 -0.322 7.967 397 HB ILE 63 HB ILE 63 -9.994 1.432 6.812 398 HG12 ILE 63 HG12 ILE 63 -11.515 0.659 4.314 399 HG13 ILE 63 HG11 ILE 63 -11.865 2.086 5.284 400 HG21 ILE 63 HG21 ILE 63 -8.742 0.099 5.181 401 HG22 ILE 63 HG22 ILE 63 -10.029 -1.109 5.194 402 HG23 ILE 63 HG23 ILE 63 -9.082 -0.812 6.653 403 HD11 ILE 63 HD11 ILE 63 -10.516 2.637 3.333 404 HD12 ILE 63 HD12 ILE 63 -9.265 1.517 3.873 405 HD13 ILE 63 HD13 ILE 63 -9.633 2.953 4.827 406 H GLY 64 HN GLY 64 -14.063 0.220 6.387 407 HA2 GLY 64 HA2 GLY 64 -15.885 1.382 7.268 408 HA3 GLY 64 HA1 GLY 64 -14.795 2.184 8.387 409 H LEU 65 HN LEU 65 -14.095 2.119 5.002 410 HA LEU 65 HA LEU 65 -14.798 4.975 4.844 411 HB2 LEU 65 HB2 LEU 65 -12.320 3.533 4.026 412 HB3 LEU 65 HB1 LEU 65 -12.834 4.907 3.078 413 HG LEU 65 HG LEU 65 -11.191 5.670 4.619 414 HD11 LEU 65 HD11 LEU 65 -12.396 7.337 5.908 415 HD12 LEU 65 HD12 LEU 65 -13.901 6.453 5.668 416 HD13 LEU 65 HD13 LEU 65 -13.073 7.173 4.290 417 HD21 LEU 65 HD21 LEU 65 -11.266 3.852 6.217 418 HD22 LEU 65 HD22 LEU 65 -12.834 4.406 6.803 419 HD23 LEU 65 HD23 LEU 65 -11.401 5.405 7.039 420 H THR 66 HN THR 66 -14.632 5.626 2.364 421 HA THR 66 HA THR 66 -16.596 4.024 1.026 422 HB THR 66 HB THR 66 -15.125 6.338 -0.217 423 HG1 THR 66 HG1 THR 66 -17.154 6.354 1.777 424 HG21 THR 66 HG21 THR 66 -17.266 6.712 -1.345 425 HG22 THR 66 HG22 THR 66 -17.967 5.346 -0.479 426 HG23 THR 66 HG23 THR 66 -16.672 5.078 -1.645 427 H ARG 67 HN ARG 67 -16.322 3.099 -1.104 428 HA ARG 67 HA ARG 67 -14.148 1.455 -1.448 429 HB2 ARG 67 HB2 ARG 67 -14.873 1.320 -3.856 430 HB3 ARG 67 HB1 ARG 67 -16.127 0.999 -2.670 431 HG2 ARG 67 HG2 ARG 67 -16.965 3.289 -2.981 432 HG3 ARG 67 HG1 ARG 67 -15.725 3.557 -4.207 433 HD2 ARG 67 HD2 ARG 67 -17.844 1.421 -4.335 434 HD3 ARG 67 HD1 ARG 67 -17.940 2.979 -5.153 435 HE ARG 67 HE ARG 67 -15.807 2.219 -6.310 436 HH11 ARG 67 HH11 ARG 67 -18.296 0.018 -5.226 437 HH12 ARG 67 HH12 ARG 67 -17.923 -1.194 -6.404 438 HH21 ARG 67 HH21 ARG 67 -15.326 0.636 -7.881 439 HH22 ARG 67 HH22 ARG 67 -16.233 -0.841 -7.921 440 H GLU 68 HN GLU 68 -14.627 4.692 -2.761 441 HA GLU 68 HA GLU 68 -12.440 4.876 -4.454 442 HB2 GLU 68 HB2 GLU 68 -14.103 6.610 -4.439 443 HB3 GLU 68 HB1 GLU 68 -13.810 6.953 -2.741 444 HG2 GLU 68 HG2 GLU 68 -11.534 7.721 -3.330 445 HG3 GLU 68 HG1 GLU 68 -11.939 7.492 -5.031 446 H ARG 69 HN ARG 69 -12.647 5.342 -0.983 447 HA ARG 69 HA ARG 69 -10.237 6.663 -0.571 448 HB2 ARG 69 HB2 ARG 69 -11.623 4.753 1.313 449 HB3 ARG 69 HB1 ARG 69 -10.415 5.950 1.760 450 HG2 ARG 69 HG2 ARG 69 -13.210 6.437 0.757 451 HG3 ARG 69 HG1 ARG 69 -12.536 6.831 2.340 452 HD2 ARG 69 HD2 ARG 69 -10.965 8.397 1.228 453 HD3 ARG 69 HD1 ARG 69 -11.781 8.069 -0.300 454 HE ARG 69 HE ARG 69 -13.658 8.895 1.641 455 HH11 ARG 69 HH11 ARG 69 -11.094 10.131 -0.390 456 HH12 ARG 69 HH12 ARG 69 -11.730 11.744 -0.433 457 HH21 ARG 69 HH21 ARG 69 -14.496 11.035 1.592 458 HH22 ARG 69 HH22 ARG 69 -13.655 12.255 0.690 459 H VAL 70 HN VAL 70 -10.926 3.167 -0.419 460 HA VAL 70 HA VAL 70 -8.207 2.507 0.101 461 HB VAL 70 HB VAL 70 -10.248 0.654 -1.108 462 HG11 VAL 70 HG11 VAL 70 -7.860 0.142 0.666 463 HG12 VAL 70 HG12 VAL 70 -7.917 -0.118 -1.076 464 HG13 VAL 70 HG13 VAL 70 -8.940 -1.076 -0.009 465 HG21 VAL 70 HG21 VAL 70 -11.250 1.701 0.838 466 HG22 VAL 70 HG22 VAL 70 -9.818 1.333 1.799 467 HG23 VAL 70 HG23 VAL 70 -10.835 0.024 1.199 468 H ARG 71 HN ARG 71 -10.212 2.398 -2.826 469 HA ARG 71 HA ARG 71 -8.182 1.345 -4.494 470 HB2 ARG 71 HB2 ARG 71 -10.352 1.050 -5.279 471 HB3 ARG 71 HB1 ARG 71 -10.801 2.715 -4.983 472 HG2 ARG 71 HG2 ARG 71 -10.669 2.480 -7.316 473 HG3 ARG 71 HG1 ARG 71 -9.203 3.335 -6.841 474 HD2 ARG 71 HD2 ARG 71 -7.967 1.205 -6.927 475 HD3 ARG 71 HD1 ARG 71 -9.438 0.397 -7.471 476 HE ARG 71 HE ARG 71 -9.005 2.513 -9.205 477 HH11 ARG 71 HH11 ARG 71 -7.423 -0.493 -8.340 478 HH12 ARG 71 HH12 ARG 71 -6.593 -0.630 -9.855 479 HH21 ARG 71 HH21 ARG 71 -7.931 2.321 -11.191 480 HH22 ARG 71 HH22 ARG 71 -6.881 0.968 -11.483 481 H GLN 72 HN GLN 72 -9.457 4.667 -4.258 482 HA GLN 72 HA GLN 72 -7.731 5.472 -6.396 483 HB2 GLN 72 HB2 GLN 72 -9.768 6.908 -4.717 484 HB3 GLN 72 HB1 GLN 72 -8.824 7.719 -5.978 485 HG2 GLN 72 HG2 GLN 72 -9.659 5.926 -7.550 486 HG3 GLN 72 HG1 GLN 72 -10.765 5.458 -6.261 487 HE21 GLN 72 HE21 GLN 72 -12.583 5.964 -7.452 488 HE22 GLN 72 HE22 GLN 72 -13.042 7.592 -7.809 489 H ILE 73 HN ILE 73 -7.831 6.011 -2.922 490 HA ILE 73 HA ILE 73 -5.634 7.797 -2.860 491 HB ILE 73 HB ILE 73 -6.656 5.906 -0.739 492 HG12 ILE 73 HG12 ILE 73 -6.936 8.901 -1.086 493 HG13 ILE 73 HG11 ILE 73 -8.170 7.721 -1.507 494 HG21 ILE 73 HG21 ILE 73 -5.330 7.218 0.862 495 HG22 ILE 73 HG22 ILE 73 -4.614 8.115 -0.477 496 HG23 ILE 73 HG23 ILE 73 -4.304 6.387 -0.307 497 HD11 ILE 73 HD11 ILE 73 -7.105 8.285 1.246 498 HD12 ILE 73 HD12 ILE 73 -8.297 7.047 0.845 499 HD13 ILE 73 HD13 ILE 73 -8.681 8.751 0.601 500 H GLN 74 HN GLN 74 -5.863 4.282 -2.878 501 HA GLN 74 HA GLN 74 -3.104 3.725 -2.673 502 HB2 GLN 74 HB2 GLN 74 -4.519 1.860 -2.379 503 HB3 GLN 74 HB1 GLN 74 -5.469 2.257 -3.806 504 HG2 GLN 74 HG2 GLN 74 -2.735 1.713 -4.516 505 HG3 GLN 74 HG1 GLN 74 -3.427 0.386 -3.588 506 HE21 GLN 74 HE21 GLN 74 -6.135 0.934 -4.524 507 HE22 GLN 74 HE22 GLN 74 -6.192 0.369 -6.160 508 H VAL 75 HN VAL 75 -5.225 4.358 -5.427 509 HA VAL 75 HA VAL 75 -3.377 3.888 -7.479 510 HB VAL 75 HB VAL 75 -5.751 5.757 -7.461 511 HG11 VAL 75 HG11 VAL 75 -4.195 4.638 -9.791 512 HG12 VAL 75 HG12 VAL 75 -4.211 6.323 -9.268 513 HG13 VAL 75 HG13 VAL 75 -5.679 5.582 -9.904 514 HG21 VAL 75 HG21 VAL 75 -5.482 2.921 -8.461 515 HG22 VAL 75 HG22 VAL 75 -6.929 3.925 -8.554 516 HG23 VAL 75 HG23 VAL 75 -6.309 3.415 -6.984 517 H GLU 76 HN GLU 76 -4.279 6.988 -5.924 518 HA GLU 76 HA GLU 76 -2.358 8.512 -7.344 519 HB2 GLU 76 HB2 GLU 76 -2.698 10.232 -5.581 520 HB3 GLU 76 HB1 GLU 76 -4.198 9.654 -6.282 521 HG2 GLU 76 HG2 GLU 76 -4.556 8.223 -4.337 522 HG3 GLU 76 HG1 GLU 76 -3.053 8.814 -3.631 523 H GLY 77 HN GLY 77 -2.253 6.584 -4.456 524 HA2 GLY 77 HA2 GLY 77 0.200 7.464 -3.409 525 HA3 GLY 77 HA1 GLY 77 -0.526 5.888 -3.140 526 H LEU 78 HN LEU 78 -0.555 5.052 -5.874 527 HA LEU 78 HA LEU 78 1.828 3.655 -5.916 528 HB2 LEU 78 HB2 LEU 78 0.052 4.316 -8.257 529 HB3 LEU 78 HB1 LEU 78 1.264 3.049 -8.230 530 HG LEU 78 HG LEU 78 -1.231 3.162 -6.537 531 HD11 LEU 78 HD11 LEU 78 -0.436 1.341 -8.803 532 HD12 LEU 78 HD12 LEU 78 -1.643 2.626 -8.881 533 HD13 LEU 78 HD13 LEU 78 -1.913 1.223 -7.844 534 HD21 LEU 78 HD21 LEU 78 -0.564 0.909 -5.802 535 HD22 LEU 78 HD22 LEU 78 0.584 2.147 -5.290 536 HD23 LEU 78 HD23 LEU 78 0.964 1.102 -6.658 537 H ARG 79 HN ARG 79 1.175 6.787 -7.274 538 HA ARG 79 HA ARG 79 3.571 6.853 -8.864 539 HB2 ARG 79 HB2 ARG 79 1.738 9.103 -8.025 540 HB3 ARG 79 HB1 ARG 79 2.989 9.201 -9.254 541 HG2 ARG 79 HG2 ARG 79 1.805 7.572 -10.615 542 HG3 ARG 79 HG1 ARG 79 0.558 7.428 -9.372 543 HD2 ARG 79 HD2 ARG 79 1.250 9.903 -10.954 544 HD3 ARG 79 HD1 ARG 79 -0.186 8.901 -11.152 545 HE ARG 79 HE ARG 79 0.378 10.405 -8.672 546 HH11 ARG 79 HH11 ARG 79 -1.820 9.366 -11.199 547 HH12 ARG 79 HH12 ARG 79 -3.185 10.185 -10.517 548 HH21 ARG 79 HH21 ARG 79 -1.419 11.498 -7.792 549 HH22 ARG 79 HH22 ARG 79 -2.957 11.413 -8.591 550 H ARG 80 HN ARG 80 2.495 8.442 -5.872 551 HA ARG 80 HA ARG 80 4.980 9.749 -5.433 552 HB2 ARG 80 HB2 ARG 80 4.007 10.294 -3.215 553 HB3 ARG 80 HB1 ARG 80 2.947 10.700 -4.557 554 HG2 ARG 80 HG2 ARG 80 1.801 8.486 -4.137 555 HG3 ARG 80 HG1 ARG 80 2.718 8.409 -2.633 556 HD2 ARG 80 HD2 ARG 80 0.489 9.316 -2.265 557 HD3 ARG 80 HD1 ARG 80 1.731 10.513 -1.919 558 HE ARG 80 HE ARG 80 1.183 11.223 -4.368 559 HH11 ARG 80 HH11 ARG 80 -1.076 10.200 -1.906 560 HH12 ARG 80 HH12 ARG 80 -2.420 11.058 -2.592 561 HH21 ARG 80 HH21 ARG 80 -0.574 12.392 -5.254 562 HH22 ARG 80 HH22 ARG 80 -2.121 12.323 -4.473 563 H LEU 81 HN LEU 81 3.597 6.718 -4.373 564 HA LEU 81 HA LEU 81 5.199 6.124 -2.184 565 HB2 LEU 81 HB2 LEU 81 3.564 4.589 -4.102 566 HB3 LEU 81 HB1 LEU 81 4.753 3.666 -3.210 567 HG LEU 81 HG LEU 81 3.685 3.991 -1.175 568 HD11 LEU 81 HD11 LEU 81 3.541 6.413 -1.187 569 HD12 LEU 81 HD12 LEU 81 1.979 5.720 -0.755 570 HD13 LEU 81 HD13 LEU 81 2.245 6.351 -2.381 571 HD21 LEU 81 HD21 LEU 81 2.337 2.631 -2.693 572 HD22 LEU 81 HD22 LEU 81 1.453 4.073 -3.192 573 HD23 LEU 81 HD23 LEU 81 1.339 3.501 -1.527 574 H ARG 82 HN ARG 82 5.955 5.995 -5.553 575 HA ARG 82 HA ARG 82 8.147 4.240 -5.468 576 HB2 ARG 82 HB2 ARG 82 7.654 6.586 -7.305 577 HB3 ARG 82 HB1 ARG 82 8.822 5.301 -7.583 578 HG2 ARG 82 HG2 ARG 82 7.051 3.675 -7.753 579 HG3 ARG 82 HG1 ARG 82 5.849 4.895 -7.359 580 HD2 ARG 82 HD2 ARG 82 6.591 6.157 -9.392 581 HD3 ARG 82 HD1 ARG 82 7.593 4.767 -9.809 582 HE ARG 82 HE ARG 82 4.883 4.017 -9.358 583 HH11 ARG 82 HH11 ARG 82 7.029 5.468 -11.711 584 HH12 ARG 82 HH12 ARG 82 6.065 4.996 -13.072 585 HH21 ARG 82 HH21 ARG 82 3.605 3.397 -11.158 586 HH22 ARG 82 HH22 ARG 82 4.127 3.808 -12.761 587 H GLU 83 HN GLU 83 7.791 7.591 -4.571 588 HA GLU 83 HA GLU 83 10.412 8.492 -4.909 589 HB2 GLU 83 HB2 GLU 83 8.384 9.374 -2.853 590 HB3 GLU 83 HB1 GLU 83 9.840 10.259 -3.289 591 HG2 GLU 83 HG2 GLU 83 8.982 10.413 -5.612 592 HG3 GLU 83 HG1 GLU 83 7.485 9.662 -5.063 593 H ILE 84 HN ILE 84 8.931 7.163 -1.928 594 HA ILE 84 HA ILE 84 11.320 7.380 -0.412 595 HB ILE 84 HB ILE 84 8.639 6.350 0.058 596 HG12 ILE 84 HG12 ILE 84 9.525 6.905 2.498 597 HG13 ILE 84 HG11 ILE 84 10.801 7.708 1.590 598 HG21 ILE 84 HG21 ILE 84 10.867 4.834 1.412 599 HG22 ILE 84 HG22 ILE 84 9.707 4.174 0.259 600 HG23 ILE 84 HG23 ILE 84 9.152 4.755 1.832 601 HD11 ILE 84 HD11 ILE 84 9.087 9.024 0.413 602 HD12 ILE 84 HD12 ILE 84 9.077 9.275 2.159 603 HD13 ILE 84 HD13 ILE 84 7.846 8.253 1.410 604 H LEU 85 HN LEU 85 10.087 4.973 -2.597 605 HA LEU 85 HA LEU 85 11.790 2.896 -1.599 606 HB2 LEU 85 HB2 LEU 85 10.077 3.037 -4.075 607 HB3 LEU 85 HB1 LEU 85 10.895 1.595 -3.497 608 HG LEU 85 HG LEU 85 8.660 3.082 -2.112 609 HD11 LEU 85 HD11 LEU 85 7.435 1.010 -2.436 610 HD12 LEU 85 HD12 LEU 85 8.824 0.298 -3.257 611 HD13 LEU 85 HD13 LEU 85 7.975 1.664 -3.981 612 HD21 LEU 85 HD21 LEU 85 10.287 0.719 -1.181 613 HD22 LEU 85 HD22 LEU 85 8.807 1.298 -0.416 614 HD23 LEU 85 HD23 LEU 85 10.240 2.324 -0.452 615 H GLN 86 HN GLN 86 11.659 4.849 -4.577 616 HA GLN 86 HA GLN 86 13.890 3.666 -5.790 617 HB2 GLN 86 HB2 GLN 86 13.933 5.638 -7.242 618 HB3 GLN 86 HB1 GLN 86 12.302 5.018 -7.045 619 HG2 GLN 86 HG2 GLN 86 11.861 6.761 -5.379 620 HG3 GLN 86 HG1 GLN 86 13.484 7.398 -5.636 621 HE21 GLN 86 HE21 GLN 86 12.725 9.380 -6.318 622 HE22 GLN 86 HE22 GLN 86 11.959 9.608 -7.852 623 H THR 87 HN THR 87 13.640 6.219 -3.413 624 HA THR 87 HA THR 87 16.337 7.126 -3.719 625 HB THR 87 HB THR 87 14.253 8.349 -2.675 626 HG1 THR 87 HG1 THR 87 16.396 9.220 -2.898 627 HG21 THR 87 HG21 THR 87 15.480 7.056 -0.235 628 HG22 THR 87 HG22 THR 87 13.861 6.751 -0.867 629 HG23 THR 87 HG23 THR 87 14.271 8.341 -0.222 630 H GLN 88 HN GLN 88 14.957 4.389 -2.390 631 HA GLN 88 HA GLN 88 17.246 3.932 -0.598 632 HB2 GLN 88 HB2 GLN 88 14.415 2.899 -0.434 633 HB3 GLN 88 HB1 GLN 88 15.723 2.350 0.600 634 HG2 GLN 88 HG2 GLN 88 15.950 4.528 1.571 635 HG3 GLN 88 HG1 GLN 88 14.807 5.207 0.418 636 HE21 GLN 88 HE21 GLN 88 13.416 5.955 1.967 637 HE22 GLN 88 HE22 GLN 88 12.437 4.915 2.936 638 H GLY 89 HN GLY 89 16.297 3.244 -3.575 639 HA2 GLY 89 HA2 GLY 89 17.076 1.648 -5.061 640 HA3 GLY 89 HA1 GLY 89 17.830 0.815 -3.712 641 H LEU 90 HN LEU 90 14.490 1.580 -3.467 642 HA LEU 90 HA LEU 90 13.822 -1.273 -3.721 643 HB2 LEU 90 HB2 LEU 90 12.146 0.800 -2.361 644 HB3 LEU 90 HB1 LEU 90 12.191 -0.930 -2.082 645 HG LEU 90 HG LEU 90 14.392 0.996 -1.346 646 HD11 LEU 90 HD11 LEU 90 12.319 -0.327 0.386 647 HD12 LEU 90 HD12 LEU 90 12.393 1.386 -0.027 648 HD13 LEU 90 HD13 LEU 90 13.668 0.659 0.950 649 HD21 LEU 90 HD21 LEU 90 15.204 -1.246 -1.798 650 HD22 LEU 90 HD22 LEU 90 13.999 -1.917 -0.698 651 HD23 LEU 90 HD23 LEU 90 15.286 -0.885 -0.074 652 H ASN 91 HN ASN 91 11.596 -1.730 -4.526 653 HA ASN 91 HA ASN 91 10.749 0.265 -6.522 654 HB2 ASN 91 HB2 ASN 91 11.035 -2.730 -6.869 655 HB3 ASN 91 HB1 ASN 91 10.155 -1.711 -7.997 656 HD21 ASN 91 HD21 ASN 91 12.544 -3.371 -8.337 657 HD22 ASN 91 HD22 ASN 91 13.754 -2.311 -8.965 658 H ILE 92 HN ILE 92 8.616 0.616 -6.716 659 HA ILE 92 HA ILE 92 6.849 -0.404 -4.700 660 HB ILE 92 HB ILE 92 6.693 1.913 -5.644 661 HG12 ILE 92 HG12 ILE 92 4.257 0.135 -5.795 662 HG13 ILE 92 HG11 ILE 92 4.851 1.004 -4.385 663 HG21 ILE 92 HG21 ILE 92 5.465 2.196 -7.782 664 HG22 ILE 92 HG22 ILE 92 5.623 0.462 -8.060 665 HG23 ILE 92 HG23 ILE 92 7.061 1.476 -7.979 666 HD11 ILE 92 HD11 ILE 92 4.358 3.121 -5.505 667 HD12 ILE 92 HD12 ILE 92 2.928 2.106 -5.309 668 HD13 ILE 92 HD13 ILE 92 3.717 2.225 -6.882 669 H GLU 93 HN GLU 93 7.667 -1.211 -7.932 670 HA GLU 93 HA GLU 93 5.433 -2.619 -8.806 671 HB2 GLU 93 HB2 GLU 93 8.340 -3.231 -9.328 672 HB3 GLU 93 HB1 GLU 93 6.991 -3.875 -10.249 673 HG2 GLU 93 HG2 GLU 93 6.398 -1.595 -10.936 674 HG3 GLU 93 HG1 GLU 93 7.797 -0.985 -10.053 675 H ALA 94 HN ALA 94 7.460 -3.357 -6.197 676 HA ALA 94 HA ALA 94 7.331 -6.225 -6.404 677 HB1 ALA 94 HB1 ALA 94 8.194 -4.478 -4.100 678 HB2 ALA 94 HB2 ALA 94 9.251 -5.111 -5.360 679 HB3 ALA 94 HB3 ALA 94 8.456 -6.217 -4.237 680 H LEU 95 HN LEU 95 5.297 -3.772 -5.257 681 HA LEU 95 HA LEU 95 3.995 -5.255 -3.184 682 HB2 LEU 95 HB2 LEU 95 3.246 -2.742 -4.642 683 HB3 LEU 95 HB1 LEU 95 2.429 -3.364 -3.213 684 HG LEU 95 HG LEU 95 5.372 -2.763 -3.224 685 HD11 LEU 95 HD11 LEU 95 4.845 -0.617 -2.250 686 HD12 LEU 95 HD12 LEU 95 3.122 -0.938 -2.442 687 HD13 LEU 95 HD13 LEU 95 4.150 -0.759 -3.864 688 HD21 LEU 95 HD21 LEU 95 5.081 -2.723 -0.830 689 HD22 LEU 95 HD22 LEU 95 4.441 -4.236 -1.468 690 HD23 LEU 95 HD23 LEU 95 3.339 -2.939 -1.005 691 H PHE 96 HN PHE 96 3.212 -4.415 -6.534 692 HA PHE 96 HA PHE 96 0.790 -6.019 -6.391 693 HB2 PHE 96 HB2 PHE 96 1.209 -5.196 -9.047 694 HB3 PHE 96 HB1 PHE 96 0.042 -4.553 -7.899 695 HD1 PHE 96 HD1 PHE 96 0.856 -2.677 -6.346 696 HD2 PHE 96 HD2 PHE 96 2.894 -3.866 -9.886 697 HE1 PHE 96 HE1 PHE 96 1.990 -0.498 -6.418 698 HE2 PHE 96 HE2 PHE 96 4.031 -1.683 -9.966 699 HZ PHE 96 HZ PHE 96 3.579 0.005 -8.231 700 H ARG 97 HN ARG 97 3.885 -6.686 -6.681 701 HA ARG 97 HA ARG 97 3.786 -8.594 -8.837 702 HB2 ARG 97 HB2 ARG 97 5.850 -7.308 -8.140 703 HB3 ARG 97 HB1 ARG 97 5.875 -8.265 -6.674 704 HG2 ARG 97 HG2 ARG 97 5.933 -9.605 -9.345 705 HG3 ARG 97 HG1 ARG 97 7.402 -8.913 -8.656 706 HD2 ARG 97 HD2 ARG 97 6.997 -10.284 -6.615 707 HD3 ARG 97 HD1 ARG 97 5.655 -11.053 -7.455 708 HE ARG 97 HE ARG 97 8.172 -11.179 -8.859 709 HH11 ARG 97 HH11 ARG 97 6.044 -12.716 -6.551 710 HH12 ARG 97 HH12 ARG 97 6.767 -14.280 -6.726 711 HH21 ARG 97 HH21 ARG 97 9.149 -13.242 -9.080 712 HH22 ARG 97 HH22 ARG 97 8.542 -14.580 -8.158 713 H GLU 98 HN GLU 98 2.032 -9.855 -8.189 714 HA GLU 98 HA GLU 98 1.865 -11.008 -5.576 715 HB2 GLU 98 HB2 GLU 98 0.275 -11.554 -8.092 716 HB3 GLU 98 HB1 GLU 98 -0.131 -12.153 -6.488 717 HG2 GLU 98 HG2 GLU 98 -0.552 -9.949 -5.685 718 HG3 GLU 98 HG1 GLU 98 0.102 -9.228 -7.154 Start of MODEL 7 1 H1 GLY 13 HT1 GLY 13 17.128 -4.956 3.009 2 H2 GLY 13 HT2 GLY 13 18.696 -4.501 2.582 3 H3 GLY 13 HT3 GLY 13 17.550 -4.812 1.378 4 HA2 GLY 13 HA1 GLY 13 17.890 -2.446 1.625 5 HA3 GLY 13 HA2 GLY 13 16.252 -2.915 2.046 6 HA PRO 14 HA PRO 14 18.264 -0.258 5.452 7 HB2 PRO 14 HB2 PRO 14 16.294 1.617 5.456 8 HB3 PRO 14 HB1 PRO 14 17.710 1.713 4.399 9 HG2 PRO 14 HG2 PRO 14 14.993 0.559 3.787 10 HG3 PRO 14 HG1 PRO 14 15.901 1.785 2.864 11 HD2 PRO 14 HD2 PRO 14 15.962 -0.729 2.092 12 HD3 PRO 14 HD1 PRO 14 17.482 0.194 2.142 13 H GLU 15 HN GLU 15 14.928 0.623 5.852 14 HA GLU 15 HA GLU 15 14.589 -1.175 8.074 15 HB2 GLU 15 HB2 GLU 15 12.212 -0.376 8.084 16 HB3 GLU 15 HB1 GLU 15 13.398 0.910 8.224 17 HG2 GLU 15 HG2 GLU 15 12.417 0.262 5.503 18 HG3 GLU 15 HG1 GLU 15 11.291 1.061 6.608 19 H ASP 16 HN ASP 16 13.758 -1.039 4.730 20 HA ASP 16 HA ASP 16 11.927 -2.998 4.303 21 HB2 ASP 16 HB2 ASP 16 12.821 -1.809 2.443 22 HB3 ASP 16 HB1 ASP 16 14.457 -2.358 2.798 23 H THR 17 HN THR 17 15.399 -3.495 4.425 24 HA THR 17 HA THR 17 16.748 -5.253 4.639 25 HB THR 17 HB THR 17 16.340 -6.861 6.372 26 HG1 THR 17 HG1 THR 17 13.701 -5.830 6.299 27 HG21 THR 17 HG21 THR 17 15.506 -4.075 7.137 28 HG22 THR 17 HG22 THR 17 17.158 -4.683 7.019 29 HG23 THR 17 HG23 THR 17 16.075 -5.309 8.261 30 H THR 18 HN THR 18 13.444 -6.584 4.304 31 HA THR 18 HA THR 18 14.555 -8.553 2.401 32 HB THR 18 HB THR 18 11.999 -9.019 3.863 33 HG1 THR 18 HG1 THR 18 14.448 -8.813 5.033 34 HG21 THR 18 HG21 THR 18 12.558 -10.529 2.057 35 HG22 THR 18 HG22 THR 18 12.701 -11.380 3.599 36 HG23 THR 18 HG23 THR 18 14.151 -10.826 2.765 37 H GLN 19 HN GLN 19 14.022 -7.798 0.442 38 HA GLN 19 HA GLN 19 11.615 -6.290 0.022 39 HB2 GLN 19 HB2 GLN 19 13.953 -7.087 -1.651 40 HB3 GLN 19 HB1 GLN 19 12.489 -6.502 -2.434 41 HG2 GLN 19 HG2 GLN 19 12.619 -4.416 -1.327 42 HG3 GLN 19 HG1 GLN 19 13.884 -4.995 -0.241 43 HE21 GLN 19 HE21 GLN 19 13.143 -3.943 -3.477 44 HE22 GLN 19 HE22 GLN 19 14.774 -3.692 -3.989 45 H ASP 20 HN ASP 20 10.143 -7.976 0.689 46 HA ASP 20 HA ASP 20 9.039 -9.232 -1.613 47 HB2 ASP 20 HB2 ASP 20 9.003 -11.581 -0.604 48 HB3 ASP 20 HB1 ASP 20 10.498 -11.029 -1.340 49 H ASP 21 HN ASP 21 8.473 -10.797 1.448 50 HA ASP 21 HA ASP 21 5.745 -9.852 1.455 51 HB2 ASP 21 HB2 ASP 21 7.272 -11.510 3.481 52 HB3 ASP 21 HB1 ASP 21 5.550 -11.167 3.566 53 H ASP 22 HN ASP 22 8.661 -9.439 3.328 54 HA ASP 22 HA ASP 22 7.589 -7.544 5.157 55 HB2 ASP 22 HB2 ASP 22 10.402 -8.330 4.427 56 HB3 ASP 22 HB1 ASP 22 10.068 -7.045 5.579 57 H MET 23 HN MET 23 8.671 -7.358 1.923 58 HA MET 23 HA MET 23 9.506 -4.750 1.669 59 HB2 MET 23 HB2 MET 23 9.561 -6.038 -0.281 60 HB3 MET 23 HB1 MET 23 7.864 -6.471 -0.155 61 HG2 MET 23 HG2 MET 23 7.171 -4.310 -0.824 62 HG3 MET 23 HG1 MET 23 8.800 -3.662 -0.653 63 HE1 MET 23 HE1 MET 23 10.739 -4.057 -2.279 64 HE2 MET 23 HE2 MET 23 10.710 -5.234 -3.595 65 HE3 MET 23 HE3 MET 23 10.629 -5.783 -1.916 66 H LYS 24 HN LYS 24 6.283 -5.967 2.293 67 HA LYS 24 HA LYS 24 4.939 -3.542 1.713 68 HB2 LYS 24 HB2 LYS 24 3.787 -5.727 1.862 69 HB3 LYS 24 HB1 LYS 24 4.078 -5.734 3.602 70 HG2 LYS 24 HG2 LYS 24 1.801 -4.999 3.024 71 HG3 LYS 24 HG1 LYS 24 2.717 -3.746 3.866 72 HD2 LYS 24 HD2 LYS 24 3.283 -2.797 1.598 73 HD3 LYS 24 HD1 LYS 24 2.108 -3.923 0.922 74 HE2 LYS 24 HE2 LYS 24 1.161 -1.699 1.277 75 HE3 LYS 24 HE1 LYS 24 0.354 -2.922 2.253 76 HZ1 LYS 24 HZ1 LYS 24 1.658 -2.214 4.156 77 HZ2 LYS 24 HZ2 LYS 24 0.787 -0.910 3.516 78 HZ3 LYS 24 HZ3 LYS 24 2.449 -1.051 3.216 79 H GLN 25 HN GLN 25 6.690 -4.740 4.442 80 HA GLN 25 HA GLN 25 5.871 -2.799 6.348 81 HB2 GLN 25 HB2 GLN 25 6.930 -4.702 7.237 82 HB3 GLN 25 HB1 GLN 25 8.242 -4.625 6.068 83 HG2 GLN 25 HG2 GLN 25 8.116 -2.267 7.749 84 HG3 GLN 25 HG1 GLN 25 8.313 -3.753 8.675 85 HE21 GLN 25 HE21 GLN 25 9.539 -3.407 5.406 86 HE22 GLN 25 HE22 GLN 25 11.217 -3.372 5.823 87 H SER 26 HN SER 26 8.254 -2.929 3.796 88 HA SER 26 HA SER 26 9.632 -0.561 4.394 89 HB2 SER 26 HB2 SER 26 9.130 -1.641 1.624 90 HB3 SER 26 HB1 SER 26 10.576 -0.846 2.251 91 HG SER 26 HG SER 26 10.878 -3.109 2.125 92 H ILE 27 HN ILE 27 6.590 -1.232 2.783 93 HA ILE 27 HA ILE 27 6.191 1.514 1.970 94 HB ILE 27 HB ILE 27 3.926 -0.426 2.225 95 HG12 ILE 27 HG12 ILE 27 5.700 -1.710 1.110 96 HG13 ILE 27 HG11 ILE 27 4.395 -1.313 -0.005 97 HG21 ILE 27 HG21 ILE 27 3.196 0.780 0.180 98 HG22 ILE 27 HG22 ILE 27 4.618 1.808 0.332 99 HG23 ILE 27 HG23 ILE 27 3.386 1.815 1.593 100 HD11 ILE 27 HD11 ILE 27 5.769 0.535 -0.883 101 HD12 ILE 27 HD12 ILE 27 6.501 -1.054 -1.110 102 HD13 ILE 27 HD13 ILE 27 7.086 0.013 0.168 103 H VAL 28 HN VAL 28 5.782 -0.334 4.801 104 HA VAL 28 HA VAL 28 3.699 1.132 6.031 105 HB VAL 28 HB VAL 28 5.933 -0.535 7.192 106 HG11 VAL 28 HG11 VAL 28 3.609 0.698 8.672 107 HG12 VAL 28 HG12 VAL 28 5.296 1.197 8.814 108 HG13 VAL 28 HG13 VAL 28 4.804 -0.413 9.343 109 HG21 VAL 28 HG21 VAL 28 2.959 -1.012 6.963 110 HG22 VAL 28 HG22 VAL 28 4.150 -2.138 7.617 111 HG23 VAL 28 HG23 VAL 28 4.188 -1.705 5.908 112 H LYS 29 HN LYS 29 7.144 1.617 5.687 113 HA LYS 29 HA LYS 29 7.583 3.776 7.353 114 HB2 LYS 29 HB2 LYS 29 9.519 3.157 6.300 115 HB3 LYS 29 HB1 LYS 29 8.703 2.781 4.794 116 HG2 LYS 29 HG2 LYS 29 10.202 4.595 4.421 117 HG3 LYS 29 HG1 LYS 29 8.553 5.208 4.323 118 HD2 LYS 29 HD2 LYS 29 8.814 5.919 6.739 119 HD3 LYS 29 HD1 LYS 29 10.534 5.556 6.565 120 HE2 LYS 29 HE2 LYS 29 10.735 7.155 4.775 121 HE3 LYS 29 HE1 LYS 29 8.999 7.448 4.793 122 HZ1 LYS 29 HZ1 LYS 29 10.966 8.167 6.892 123 HZ2 LYS 29 HZ2 LYS 29 9.295 8.249 7.126 124 HZ3 LYS 29 HZ3 LYS 29 10.031 9.219 5.948 125 H TRP 30 HN TRP 30 5.925 3.611 4.264 126 HA TRP 30 HA TRP 30 5.679 6.373 3.778 127 HB2 TRP 30 HB2 TRP 30 4.469 3.894 2.730 128 HB3 TRP 30 HB1 TRP 30 3.526 5.360 2.512 129 HD1 TRP 30 HD1 TRP 30 6.187 3.432 0.873 130 HE1 TRP 30 HE1 TRP 30 7.332 4.841 -0.944 131 HE3 TRP 30 HE3 TRP 30 4.394 8.040 2.160 132 HZ2 TRP 30 HZ2 TRP 30 7.476 7.550 -1.711 133 HZ3 TRP 30 HZ3 TRP 30 5.083 9.985 0.824 134 HH2 TRP 30 HH2 TRP 30 6.591 9.744 -1.069 135 H LEU 31 HN LEU 31 3.941 4.198 5.856 136 HA LEU 31 HA LEU 31 1.564 5.684 6.165 137 HB2 LEU 31 HB2 LEU 31 1.112 3.744 7.181 138 HB3 LEU 31 HB1 LEU 31 2.815 3.363 7.340 139 HG LEU 31 HG LEU 31 2.745 4.917 9.411 140 HD11 LEU 31 HD11 LEU 31 -0.181 4.247 9.167 141 HD12 LEU 31 HD12 LEU 31 0.524 5.852 8.962 142 HD13 LEU 31 HD13 LEU 31 0.605 5.046 10.528 143 HD21 LEU 31 HD21 LEU 31 2.031 3.041 10.814 144 HD22 LEU 31 HD22 LEU 31 3.100 2.523 9.510 145 HD23 LEU 31 HD23 LEU 31 1.363 2.241 9.391 146 H PHE 32 HN PHE 32 4.688 5.772 7.761 147 HA PHE 32 HA PHE 32 3.882 7.828 9.615 148 HB2 PHE 32 HB2 PHE 32 6.654 6.818 8.939 149 HB3 PHE 32 HB1 PHE 32 6.220 7.813 10.324 150 HD1 PHE 32 HD1 PHE 32 6.540 4.495 9.046 151 HD2 PHE 32 HD2 PHE 32 4.650 6.837 12.053 152 HE1 PHE 32 HE1 PHE 32 6.129 2.460 10.365 153 HE2 PHE 32 HE2 PHE 32 4.234 4.806 13.376 154 HZ PHE 32 HZ PHE 32 4.974 2.615 12.532 155 H GLU 33 HN GLU 33 4.383 7.877 6.394 156 HA GLU 33 HA GLU 33 5.919 10.377 6.418 157 HB2 GLU 33 HB2 GLU 33 6.735 8.362 5.085 158 HB3 GLU 33 HB1 GLU 33 5.380 8.661 4.004 159 HG2 GLU 33 HG2 GLU 33 7.308 9.670 3.053 160 HG3 GLU 33 HG1 GLU 33 6.263 10.960 3.642 161 H LEU 34 HN LEU 34 3.121 8.879 4.705 162 HA LEU 34 HA LEU 34 2.256 11.641 4.121 163 HB2 LEU 34 HB2 LEU 34 2.415 9.238 2.492 164 HB3 LEU 34 HB1 LEU 34 0.846 10.010 2.406 165 HG LEU 34 HG LEU 34 2.513 10.696 0.632 166 HD11 LEU 34 HD11 LEU 34 1.902 13.056 0.740 167 HD12 LEU 34 HD12 LEU 34 1.405 12.855 2.419 168 HD13 LEU 34 HD13 LEU 34 0.533 12.021 1.135 169 HD21 LEU 34 HD21 LEU 34 3.737 12.385 2.789 170 HD22 LEU 34 HD22 LEU 34 4.315 12.102 1.146 171 HD23 LEU 34 HD23 LEU 34 4.405 10.817 2.351 172 H ASN 35 HN ASN 35 1.180 8.488 5.204 173 HA ASN 35 HA ASN 35 -0.525 9.256 7.139 174 HB2 ASN 35 HB2 ASN 35 -2.811 9.076 6.188 175 HB3 ASN 35 HB1 ASN 35 -1.944 10.486 5.602 176 HD21 ASN 35 HD21 ASN 35 -3.232 10.692 3.812 177 HD22 ASN 35 HD22 ASN 35 -3.159 9.603 2.471 178 H ALA 36 HN ALA 36 -2.224 7.545 7.665 179 HA ALA 36 HA ALA 36 -1.009 4.990 7.486 180 HB1 ALA 36 HB1 ALA 36 -2.325 5.652 9.416 181 HB2 ALA 36 HB2 ALA 36 -2.990 4.195 8.681 182 HB3 ALA 36 HB3 ALA 36 -3.772 5.752 8.414 183 H LYS 37 HN LYS 37 -3.448 6.639 5.655 184 HA LYS 37 HA LYS 37 -4.852 4.553 4.513 185 HB2 LYS 37 HB2 LYS 37 -4.079 7.220 3.329 186 HB3 LYS 37 HB1 LYS 37 -5.210 6.110 2.570 187 HG2 LYS 37 HG2 LYS 37 -5.591 7.220 5.336 188 HG3 LYS 37 HG1 LYS 37 -6.242 7.975 3.880 189 HD2 LYS 37 HD2 LYS 37 -7.529 5.964 3.387 190 HD3 LYS 37 HD1 LYS 37 -6.829 5.159 4.795 191 HE2 LYS 37 HE2 LYS 37 -9.112 6.045 5.196 192 HE3 LYS 37 HE1 LYS 37 -7.897 6.701 6.290 193 HZ1 LYS 37 HZ1 LYS 37 -7.806 8.699 4.932 194 HZ2 LYS 37 HZ2 LYS 37 -9.377 8.424 5.483 195 HZ3 LYS 37 HZ3 LYS 37 -8.974 8.071 3.884 196 H GLN 38 HN GLN 38 -1.938 6.157 3.185 197 HA GLN 38 HA GLN 38 -1.791 4.574 0.884 198 HB2 GLN 38 HB2 GLN 38 0.399 6.017 2.375 199 HB3 GLN 38 HB1 GLN 38 0.558 5.364 0.745 200 HG2 GLN 38 HG2 GLN 38 -1.383 7.499 1.610 201 HG3 GLN 38 HG1 GLN 38 0.112 7.762 0.718 202 HE21 GLN 38 HE21 GLN 38 -1.115 8.756 -0.932 203 HE22 GLN 38 HE22 GLN 38 -2.027 7.819 -2.063 204 H ARG 39 HN ARG 39 -0.672 3.969 4.118 205 HA ARG 39 HA ARG 39 0.891 1.678 3.467 206 HB2 ARG 39 HB2 ARG 39 1.344 2.782 5.516 207 HB3 ARG 39 HB1 ARG 39 -0.331 2.684 6.027 208 HG2 ARG 39 HG2 ARG 39 0.968 0.092 5.559 209 HG3 ARG 39 HG1 ARG 39 1.643 1.045 6.884 210 HD2 ARG 39 HD2 ARG 39 -0.630 1.289 7.818 211 HD3 ARG 39 HD1 ARG 39 -1.253 0.261 6.528 212 HE ARG 39 HE ARG 39 0.848 -0.948 8.097 213 HH11 ARG 39 HH11 ARG 39 -2.566 -0.272 7.923 214 HH12 ARG 39 HH12 ARG 39 -3.037 -1.730 8.743 215 HH21 ARG 39 HH21 ARG 39 0.247 -2.843 9.259 216 HH22 ARG 39 HH22 ARG 39 -1.435 -3.168 9.539 217 H GLU 40 HN GLU 40 -2.441 2.066 4.696 218 HA GLU 40 HA GLU 40 -2.834 -0.782 4.743 219 HB2 GLU 40 HB2 GLU 40 -5.159 -0.236 5.411 220 HB3 GLU 40 HB1 GLU 40 -3.923 0.477 6.432 221 HG2 GLU 40 HG2 GLU 40 -4.213 2.588 5.067 222 HG3 GLU 40 HG1 GLU 40 -5.654 1.827 4.389 223 H VAL 41 HN VAL 41 -3.788 1.777 2.480 224 HA VAL 41 HA VAL 41 -5.841 0.499 1.145 225 HB VAL 41 HB VAL 41 -5.257 1.865 -0.813 226 HG11 VAL 41 HG11 VAL 41 -5.753 3.987 0.192 227 HG12 VAL 41 HG12 VAL 41 -5.216 3.396 1.765 228 HG13 VAL 41 HG13 VAL 41 -6.656 2.715 1.013 229 HG21 VAL 41 HG21 VAL 41 -3.436 3.500 -0.652 230 HG22 VAL 41 HG22 VAL 41 -2.832 1.842 -0.629 231 HG23 VAL 41 HG23 VAL 41 -2.930 2.765 0.870 232 H LEU 42 HN LEU 42 -2.370 0.240 0.511 233 HA LEU 42 HA LEU 42 -2.576 -1.319 -1.826 234 HB2 LEU 42 HB2 LEU 42 -0.341 -1.469 0.176 235 HB3 LEU 42 HB1 LEU 42 -0.258 -1.772 -1.544 236 HG LEU 42 HG LEU 42 -0.657 0.912 -0.228 237 HD11 LEU 42 HD11 LEU 42 1.606 -0.201 -0.120 238 HD12 LEU 42 HD12 LEU 42 1.547 1.394 -0.869 239 HD13 LEU 42 HD13 LEU 42 1.654 -0.047 -1.876 240 HD21 LEU 42 HD21 LEU 42 -1.854 0.776 -2.350 241 HD22 LEU 42 HD22 LEU 42 -0.389 0.207 -3.148 242 HD23 LEU 42 HD23 LEU 42 -0.453 1.837 -2.476 243 H ALA 43 HN ALA 43 -2.097 -2.137 1.555 244 HA ALA 43 HA ALA 43 -1.775 -4.899 1.267 245 HB1 ALA 43 HB1 ALA 43 -2.222 -5.028 3.645 246 HB2 ALA 43 HB2 ALA 43 -2.924 -3.410 3.627 247 HB3 ALA 43 HB3 ALA 43 -1.206 -3.631 3.297 248 H ARG 44 HN ARG 44 -4.686 -2.944 1.751 249 HA ARG 44 HA ARG 44 -6.530 -5.039 2.026 250 HB2 ARG 44 HB2 ARG 44 -6.728 -2.193 1.131 251 HB3 ARG 44 HB1 ARG 44 -8.134 -3.243 1.105 252 HG2 ARG 44 HG2 ARG 44 -6.517 -3.020 3.596 253 HG3 ARG 44 HG1 ARG 44 -7.664 -1.762 3.167 254 HD2 ARG 44 HD2 ARG 44 -9.471 -3.097 3.406 255 HD3 ARG 44 HD1 ARG 44 -8.582 -4.563 3.056 256 HE ARG 44 HE ARG 44 -8.400 -3.093 5.611 257 HH11 ARG 44 HH11 ARG 44 -8.458 -6.084 3.788 258 HH12 ARG 44 HH12 ARG 44 -8.293 -7.083 5.194 259 HH21 ARG 44 HH21 ARG 44 -8.189 -4.418 7.456 260 HH22 ARG 44 HH22 ARG 44 -8.122 -6.143 7.272 261 H ARG 45 HN ARG 45 -5.247 -3.427 -0.834 262 HA ARG 45 HA ARG 45 -7.162 -4.795 -2.521 263 HB2 ARG 45 HB2 ARG 45 -5.125 -2.652 -2.968 264 HB3 ARG 45 HB1 ARG 45 -5.875 -3.478 -4.332 265 HG2 ARG 45 HG2 ARG 45 -7.435 -2.131 -2.142 266 HG3 ARG 45 HG1 ARG 45 -6.968 -1.332 -3.646 267 HD2 ARG 45 HD2 ARG 45 -8.652 -3.840 -3.435 268 HD3 ARG 45 HD1 ARG 45 -9.257 -2.210 -3.746 269 HE ARG 45 HE ARG 45 -7.976 -2.242 -5.838 270 HH11 ARG 45 HH11 ARG 45 -8.751 -5.335 -4.357 271 HH12 ARG 45 HH12 ARG 45 -8.560 -6.215 -5.838 272 HH21 ARG 45 HH21 ARG 45 -7.752 -3.422 -7.764 273 HH22 ARG 45 HH22 ARG 45 -7.999 -5.138 -7.762 274 H PHE 46 HN PHE 46 -3.753 -5.046 -1.734 275 HA PHE 46 HA PHE 46 -3.432 -6.964 -3.926 276 HB2 PHE 46 HB2 PHE 46 -1.260 -5.906 -2.122 277 HB3 PHE 46 HB1 PHE 46 -1.057 -6.746 -3.651 278 HD1 PHE 46 HD1 PHE 46 -0.124 -3.892 -2.551 279 HD2 PHE 46 HD2 PHE 46 -3.124 -5.274 -5.232 280 HE1 PHE 46 HE1 PHE 46 -0.064 -1.732 -3.730 281 HE2 PHE 46 HE2 PHE 46 -3.079 -3.124 -6.409 282 HZ PHE 46 HZ PHE 46 -1.462 -1.316 -5.599 283 H GLY 47 HN GLY 47 -3.803 -6.834 -0.521 284 HA2 GLY 47 HA2 GLY 47 -4.229 -8.669 0.868 285 HA3 GLY 47 HA1 GLY 47 -3.582 -9.731 -0.372 286 H LEU 48 HN LEU 48 -1.985 -6.898 0.947 287 HA LEU 48 HA LEU 48 0.280 -8.615 1.661 288 HB2 LEU 48 HB2 LEU 48 0.212 -5.612 1.411 289 HB3 LEU 48 HB1 LEU 48 1.634 -6.628 1.526 290 HG LEU 48 HG LEU 48 -0.303 -6.591 -0.778 291 HD11 LEU 48 HD11 LEU 48 2.485 -5.485 -0.529 292 HD12 LEU 48 HD12 LEU 48 0.994 -4.557 -0.696 293 HD13 LEU 48 HD13 LEU 48 1.553 -5.577 -2.022 294 HD21 LEU 48 HD21 LEU 48 2.301 -8.069 -0.414 295 HD22 LEU 48 HD22 LEU 48 1.368 -7.995 -1.909 296 HD23 LEU 48 HD23 LEU 48 0.691 -8.788 -0.486 297 H LEU 49 HN LEU 49 1.578 -7.899 3.597 298 HA LEU 49 HA LEU 49 1.775 -7.589 5.838 299 HB2 LEU 49 HB2 LEU 49 0.545 -5.320 4.891 300 HB3 LEU 49 HB1 LEU 49 -0.561 -5.831 6.147 301 HG LEU 49 HG LEU 49 1.070 -4.165 6.939 302 HD11 LEU 49 HD11 LEU 49 0.121 -5.746 8.528 303 HD12 LEU 49 HD12 LEU 49 1.777 -5.317 8.958 304 HD13 LEU 49 HD13 LEU 49 1.438 -6.873 8.199 305 HD21 LEU 49 HD21 LEU 49 3.413 -4.739 7.195 306 HD22 LEU 49 HD22 LEU 49 2.945 -4.804 5.496 307 HD23 LEU 49 HD23 LEU 49 3.138 -6.295 6.415 308 H GLY 50 HN GLY 50 0.000 -9.628 4.714 309 HA2 GLY 50 HA2 GLY 50 -1.228 -11.351 5.644 310 HA3 GLY 50 HA1 GLY 50 -1.261 -10.462 7.160 311 H TYR 51 HN TYR 51 -2.267 -8.494 4.632 312 HA TYR 51 HA TYR 51 -4.985 -8.556 5.579 313 HB2 TYR 51 HB2 TYR 51 -3.539 -6.909 3.523 314 HB3 TYR 51 HB1 TYR 51 -5.287 -6.819 3.695 315 HD1 TYR 51 HD1 TYR 51 -5.447 -4.555 4.397 316 HD2 TYR 51 HD2 TYR 51 -2.916 -7.260 6.494 317 HE1 TYR 51 HE1 TYR 51 -5.201 -2.916 6.225 318 HE2 TYR 51 HE2 TYR 51 -2.665 -5.631 8.313 319 HH TYR 51 HH TYR 51 -4.680 -3.008 8.698 320 H GLU 52 HN GLU 52 -6.748 -8.399 3.863 321 HA GLU 52 HA GLU 52 -6.490 -10.725 2.097 322 HB2 GLU 52 HB2 GLU 52 -9.029 -10.632 2.138 323 HB3 GLU 52 HB1 GLU 52 -8.240 -11.075 3.646 324 HG2 GLU 52 HG2 GLU 52 -8.556 -8.834 4.506 325 HG3 GLU 52 HG1 GLU 52 -9.278 -8.314 2.982 326 H ALA 53 HN ALA 53 -6.391 -10.396 -0.014 327 HA ALA 53 HA ALA 53 -6.763 -7.811 -1.184 328 HB1 ALA 53 HB1 ALA 53 -6.306 -8.941 -3.308 329 HB2 ALA 53 HB2 ALA 53 -6.426 -10.506 -2.507 330 HB3 ALA 53 HB3 ALA 53 -5.124 -9.396 -2.081 331 H ALA 54 HN ALA 54 -8.755 -7.015 -1.266 332 HA ALA 54 HA ALA 54 -10.925 -8.782 -2.198 333 HB1 ALA 54 HB1 ALA 54 -12.429 -7.768 -0.657 334 HB2 ALA 54 HB2 ALA 54 -11.226 -6.562 -0.198 335 HB3 ALA 54 HB3 ALA 54 -10.995 -8.255 0.248 336 H THR 55 HN THR 55 -12.971 -7.033 -2.575 337 HA THR 55 HA THR 55 -11.943 -5.496 -4.804 338 HB THR 55 HB THR 55 -14.249 -5.184 -5.471 339 HG1 THR 55 HG1 THR 55 -15.066 -6.640 -3.148 340 HG21 THR 55 HG21 THR 55 -14.968 -7.529 -5.750 341 HG22 THR 55 HG22 THR 55 -13.745 -8.022 -4.579 342 HG23 THR 55 HG23 THR 55 -13.258 -7.302 -6.114 343 H LEU 56 HN LEU 56 -13.149 -3.283 -5.066 344 HA LEU 56 HA LEU 56 -12.203 -1.601 -3.045 345 HB2 LEU 56 HB2 LEU 56 -14.417 -1.013 -4.987 346 HB3 LEU 56 HB1 LEU 56 -13.390 0.160 -4.183 347 HG LEU 56 HG LEU 56 -12.668 -1.731 -6.396 348 HD11 LEU 56 HD11 LEU 56 -13.638 0.340 -7.112 349 HD12 LEU 56 HD12 LEU 56 -11.908 0.367 -7.456 350 HD13 LEU 56 HD13 LEU 56 -12.547 1.260 -6.074 351 HD21 LEU 56 HD21 LEU 56 -10.348 -0.734 -6.115 352 HD22 LEU 56 HD22 LEU 56 -10.839 -1.965 -4.955 353 HD23 LEU 56 HD23 LEU 56 -10.869 -0.264 -4.494 354 H GLU 57 HN GLU 57 -15.372 -2.907 -3.711 355 HA GLU 57 HA GLU 57 -16.865 -1.573 -1.773 356 HB2 GLU 57 HB2 GLU 57 -17.142 -4.195 -3.196 357 HB3 GLU 57 HB1 GLU 57 -18.301 -3.727 -1.966 358 HG2 GLU 57 HG2 GLU 57 -18.895 -1.752 -3.203 359 HG3 GLU 57 HG1 GLU 57 -17.622 -2.065 -4.378 360 H ASP 58 HN ASP 58 -15.018 -4.582 -1.561 361 HA ASP 58 HA ASP 58 -15.928 -5.196 1.087 362 HB2 ASP 58 HB2 ASP 58 -13.590 -6.286 -0.483 363 HB3 ASP 58 HB1 ASP 58 -14.180 -6.950 1.035 364 H VAL 59 HN VAL 59 -12.869 -4.017 -0.271 365 HA VAL 59 HA VAL 59 -11.447 -3.956 2.149 366 HB VAL 59 HB VAL 59 -9.856 -2.466 0.988 367 HG11 VAL 59 HG11 VAL 59 -9.189 -4.048 -0.709 368 HG12 VAL 59 HG12 VAL 59 -10.809 -4.745 -0.734 369 HG13 VAL 59 HG13 VAL 59 -9.797 -4.917 0.701 370 HG21 VAL 59 HG21 VAL 59 -10.236 -1.842 -1.334 371 HG22 VAL 59 HG22 VAL 59 -11.482 -1.152 -0.292 372 HG23 VAL 59 HG23 VAL 59 -11.842 -2.568 -1.276 373 H GLY 60 HN GLY 60 -13.439 -1.533 0.573 374 HA2 GLY 60 HA2 GLY 60 -12.892 0.664 2.224 375 HA3 GLY 60 HA1 GLY 60 -14.417 0.378 1.394 376 H ARG 61 HN ARG 61 -15.221 -1.965 2.588 377 HA ARG 61 HA ARG 61 -16.407 -1.037 4.962 378 HB2 ARG 61 HB2 ARG 61 -16.155 -3.818 3.816 379 HB3 ARG 61 HB1 ARG 61 -17.121 -3.438 5.235 380 HG2 ARG 61 HG2 ARG 61 -18.591 -2.066 3.961 381 HG3 ARG 61 HG1 ARG 61 -17.536 -2.153 2.549 382 HD2 ARG 61 HD2 ARG 61 -19.473 -3.626 2.320 383 HD3 ARG 61 HD1 ARG 61 -17.966 -4.537 2.352 384 HE ARG 61 HE ARG 61 -19.091 -4.351 4.953 385 HH11 ARG 61 HH11 ARG 61 -19.441 -6.000 1.888 386 HH12 ARG 61 HH12 ARG 61 -20.225 -7.386 2.573 387 HH21 ARG 61 HH21 ARG 61 -20.122 -6.190 5.868 388 HH22 ARG 61 HH22 ARG 61 -20.607 -7.499 4.834 389 H GLU 62 HN GLU 62 -13.577 -2.994 4.328 390 HA GLU 62 HA GLU 62 -13.135 -3.966 6.926 391 HB2 GLU 62 HB2 GLU 62 -11.137 -3.348 4.753 392 HB3 GLU 62 HB1 GLU 62 -10.804 -4.302 6.190 393 HG2 GLU 62 HG2 GLU 62 -12.722 -4.987 3.981 394 HG3 GLU 62 HG1 GLU 62 -11.159 -5.738 4.301 395 H ILE 63 HN ILE 63 -11.896 -1.062 5.288 396 HA ILE 63 HA ILE 63 -10.372 -0.364 7.662 397 HB ILE 63 HB ILE 63 -9.323 1.348 6.381 398 HG12 ILE 63 HG12 ILE 63 -11.244 0.800 4.112 399 HG13 ILE 63 HG11 ILE 63 -11.437 2.133 5.247 400 HG21 ILE 63 HG21 ILE 63 -8.475 0.077 4.429 401 HG22 ILE 63 HG22 ILE 63 -9.740 -1.123 4.694 402 HG23 ILE 63 HG23 ILE 63 -8.496 -0.866 5.916 403 HD11 ILE 63 HD11 ILE 63 -9.070 1.707 3.440 404 HD12 ILE 63 HD12 ILE 63 -9.309 3.063 4.542 405 HD13 ILE 63 HD13 ILE 63 -10.386 2.848 3.164 406 H GLY 64 HN GLY 64 -13.399 0.304 6.286 407 HA2 GLY 64 HA2 GLY 64 -15.131 1.342 7.470 408 HA3 GLY 64 HA1 GLY 64 -13.940 2.184 8.450 409 H LEU 65 HN LEU 65 -13.773 2.086 4.976 410 HA LEU 65 HA LEU 65 -14.641 4.888 4.864 411 HB2 LEU 65 HB2 LEU 65 -12.072 3.711 3.907 412 HB3 LEU 65 HB1 LEU 65 -12.793 5.007 2.985 413 HG LEU 65 HG LEU 65 -11.185 6.005 4.400 414 HD11 LEU 65 HD11 LEU 65 -13.839 6.415 5.759 415 HD12 LEU 65 HD12 LEU 65 -13.347 7.181 4.250 416 HD13 LEU 65 HD13 LEU 65 -12.469 7.526 5.739 417 HD21 LEU 65 HD21 LEU 65 -12.439 4.537 6.714 418 HD22 LEU 65 HD22 LEU 65 -11.125 5.707 6.822 419 HD23 LEU 65 HD23 LEU 65 -10.877 4.179 5.978 420 H THR 66 HN THR 66 -14.631 5.511 2.361 421 HA THR 66 HA THR 66 -16.563 3.829 1.111 422 HB THR 66 HB THR 66 -15.194 5.876 -0.523 423 HG1 THR 66 HG1 THR 66 -16.923 6.983 1.342 424 HG21 THR 66 HG21 THR 66 -18.075 5.308 0.187 425 HG22 THR 66 HG22 THR 66 -17.240 4.844 -1.298 426 HG23 THR 66 HG23 THR 66 -17.540 6.546 -0.950 427 H ARG 67 HN ARG 67 -16.318 2.947 -1.082 428 HA ARG 67 HA ARG 67 -14.082 1.302 -1.399 429 HB2 ARG 67 HB2 ARG 67 -14.995 0.803 -3.621 430 HB3 ARG 67 HB1 ARG 67 -16.254 0.811 -2.402 431 HG2 ARG 67 HG2 ARG 67 -16.917 3.062 -3.112 432 HG3 ARG 67 HG1 ARG 67 -15.671 3.020 -4.361 433 HD2 ARG 67 HD2 ARG 67 -16.753 1.092 -5.387 434 HD3 ARG 67 HD1 ARG 67 -17.987 1.106 -4.127 435 HE ARG 67 HE ARG 67 -17.994 3.622 -5.290 436 HH11 ARG 67 HH11 ARG 67 -18.586 0.326 -6.315 437 HH12 ARG 67 HH12 ARG 67 -19.763 0.776 -7.505 438 HH21 ARG 67 HH21 ARG 67 -19.524 4.218 -6.869 439 HH22 ARG 67 HH22 ARG 67 -20.292 2.994 -7.828 440 H GLU 68 HN GLU 68 -14.837 4.458 -2.761 441 HA GLU 68 HA GLU 68 -12.768 4.780 -4.591 442 HB2 GLU 68 HB2 GLU 68 -14.533 6.419 -4.416 443 HB3 GLU 68 HB1 GLU 68 -14.105 6.760 -2.746 444 HG2 GLU 68 HG2 GLU 68 -11.928 7.640 -3.525 445 HG3 GLU 68 HG1 GLU 68 -12.489 7.429 -5.187 446 H ARG 69 HN ARG 69 -12.841 5.478 -1.144 447 HA ARG 69 HA ARG 69 -10.460 6.814 -0.855 448 HB2 ARG 69 HB2 ARG 69 -11.626 4.904 1.171 449 HB3 ARG 69 HB1 ARG 69 -10.552 6.256 1.494 450 HG2 ARG 69 HG2 ARG 69 -13.413 6.373 0.573 451 HG3 ARG 69 HG1 ARG 69 -12.758 6.883 2.129 452 HD2 ARG 69 HD2 ARG 69 -11.383 8.572 0.886 453 HD3 ARG 69 HD1 ARG 69 -12.287 8.138 -0.564 454 HE ARG 69 HE ARG 69 -14.137 8.764 1.424 455 HH11 ARG 69 HH11 ARG 69 -11.658 10.351 -0.460 456 HH12 ARG 69 HH12 ARG 69 -12.411 11.910 -0.377 457 HH21 ARG 69 HH21 ARG 69 -15.127 10.815 1.547 458 HH22 ARG 69 HH22 ARG 69 -14.384 12.173 0.764 459 H VAL 70 HN VAL 70 -11.024 3.305 -0.614 460 HA VAL 70 HA VAL 70 -8.293 2.743 -0.064 461 HB VAL 70 HB VAL 70 -10.227 0.793 -1.298 462 HG11 VAL 70 HG11 VAL 70 -7.876 0.458 0.562 463 HG12 VAL 70 HG12 VAL 70 -7.914 0.063 -1.157 464 HG13 VAL 70 HG13 VAL 70 -8.913 -0.841 -0.021 465 HG21 VAL 70 HG21 VAL 70 -11.387 1.813 0.551 466 HG22 VAL 70 HG22 VAL 70 -9.982 1.605 1.593 467 HG23 VAL 70 HG23 VAL 70 -10.868 0.195 1.018 468 H ARG 71 HN ARG 71 -10.260 2.515 -3.029 469 HA ARG 71 HA ARG 71 -8.167 1.521 -4.660 470 HB2 ARG 71 HB2 ARG 71 -10.352 1.163 -5.444 471 HB3 ARG 71 HB1 ARG 71 -10.800 2.841 -5.253 472 HG2 ARG 71 HG2 ARG 71 -10.608 2.499 -7.563 473 HG3 ARG 71 HG1 ARG 71 -9.133 3.345 -7.099 474 HD2 ARG 71 HD2 ARG 71 -7.964 1.155 -7.026 475 HD3 ARG 71 HD1 ARG 71 -9.436 0.390 -7.626 476 HE ARG 71 HE ARG 71 -8.474 2.561 -9.261 477 HH11 ARG 71 HH11 ARG 71 -8.351 -0.893 -8.694 478 HH12 ARG 71 HH12 ARG 71 -7.766 -1.259 -10.282 479 HH21 ARG 71 HH21 ARG 71 -7.702 2.079 -11.349 480 HH22 ARG 71 HH22 ARG 71 -7.381 0.433 -11.788 481 H GLN 72 HN GLN 72 -9.554 4.799 -4.440 482 HA GLN 72 HA GLN 72 -7.850 5.674 -6.567 483 HB2 GLN 72 HB2 GLN 72 -9.869 7.111 -4.847 484 HB3 GLN 72 HB1 GLN 72 -9.004 7.867 -6.195 485 HG2 GLN 72 HG2 GLN 72 -9.902 6.005 -7.642 486 HG3 GLN 72 HG1 GLN 72 -10.928 5.570 -6.283 487 HE21 GLN 72 HE21 GLN 72 -12.802 5.987 -7.415 488 HE22 GLN 72 HE22 GLN 72 -13.323 7.590 -7.805 489 H ILE 73 HN ILE 73 -7.997 6.261 -3.087 490 HA ILE 73 HA ILE 73 -5.818 8.049 -2.992 491 HB ILE 73 HB ILE 73 -6.919 6.132 -0.948 492 HG12 ILE 73 HG12 ILE 73 -6.929 9.152 -1.038 493 HG13 ILE 73 HG11 ILE 73 -8.209 8.162 -1.728 494 HG21 ILE 73 HG21 ILE 73 -5.534 7.335 0.730 495 HG22 ILE 73 HG22 ILE 73 -4.668 8.105 -0.599 496 HG23 ILE 73 HG23 ILE 73 -4.590 6.358 -0.393 497 HD11 ILE 73 HD11 ILE 73 -8.696 7.245 0.465 498 HD12 ILE 73 HD12 ILE 73 -8.809 9.004 0.464 499 HD13 ILE 73 HD13 ILE 73 -7.397 8.211 1.167 500 H GLN 74 HN GLN 74 -5.969 4.530 -3.050 501 HA GLN 74 HA GLN 74 -3.191 4.046 -2.788 502 HB2 GLN 74 HB2 GLN 74 -4.682 2.220 -2.443 503 HB3 GLN 74 HB1 GLN 74 -5.460 2.477 -3.994 504 HG2 GLN 74 HG2 GLN 74 -2.639 1.931 -4.297 505 HG3 GLN 74 HG1 GLN 74 -3.468 0.657 -3.406 506 HE21 GLN 74 HE21 GLN 74 -6.004 1.138 -4.739 507 HE22 GLN 74 HE22 GLN 74 -5.840 0.480 -6.331 508 H VAL 75 HN VAL 75 -5.313 4.543 -5.570 509 HA VAL 75 HA VAL 75 -3.482 4.053 -7.616 510 HB VAL 75 HB VAL 75 -5.810 5.983 -7.603 511 HG11 VAL 75 HG11 VAL 75 -5.747 5.797 -10.051 512 HG12 VAL 75 HG12 VAL 75 -4.272 4.837 -9.934 513 HG13 VAL 75 HG13 VAL 75 -4.271 6.523 -9.414 514 HG21 VAL 75 HG21 VAL 75 -6.406 3.639 -7.124 515 HG22 VAL 75 HG22 VAL 75 -5.626 3.149 -8.629 516 HG23 VAL 75 HG23 VAL 75 -7.049 4.191 -8.670 517 H GLU 76 HN GLU 76 -4.301 7.180 -6.073 518 HA GLU 76 HA GLU 76 -2.300 8.620 -7.496 519 HB2 GLU 76 HB2 GLU 76 -2.686 10.428 -5.886 520 HB3 GLU 76 HB1 GLU 76 -4.196 9.791 -6.506 521 HG2 GLU 76 HG2 GLU 76 -4.559 8.559 -4.456 522 HG3 GLU 76 HG1 GLU 76 -3.000 9.106 -3.835 523 H GLY 77 HN GLY 77 -2.357 6.782 -4.547 524 HA2 GLY 77 HA2 GLY 77 0.068 7.625 -3.418 525 HA3 GLY 77 HA1 GLY 77 -0.689 6.059 -3.164 526 H LEU 78 HN LEU 78 -0.641 5.221 -5.892 527 HA LEU 78 HA LEU 78 1.750 3.831 -5.947 528 HB2 LEU 78 HB2 LEU 78 0.061 4.556 -8.338 529 HB3 LEU 78 HB1 LEU 78 1.215 3.242 -8.250 530 HG LEU 78 HG LEU 78 -1.365 3.447 -6.698 531 HD11 LEU 78 HD11 LEU 78 -1.709 2.951 -9.046 532 HD12 LEU 78 HD12 LEU 78 -2.038 1.527 -8.062 533 HD13 LEU 78 HD13 LEU 78 -0.528 1.645 -8.963 534 HD21 LEU 78 HD21 LEU 78 0.715 1.266 -6.734 535 HD22 LEU 78 HD22 LEU 78 -0.860 1.168 -5.948 536 HD23 LEU 78 HD23 LEU 78 0.341 2.328 -5.378 537 H ARG 79 HN ARG 79 1.122 7.036 -7.020 538 HA ARG 79 HA ARG 79 3.419 7.262 -8.732 539 HB2 ARG 79 HB2 ARG 79 1.918 9.532 -7.435 540 HB3 ARG 79 HB1 ARG 79 2.845 9.565 -8.926 541 HG2 ARG 79 HG2 ARG 79 1.180 8.143 -9.996 542 HG3 ARG 79 HG1 ARG 79 0.252 8.103 -8.498 543 HD2 ARG 79 HD2 ARG 79 0.128 10.603 -8.621 544 HD3 ARG 79 HD1 ARG 79 0.838 10.494 -10.230 545 HE ARG 79 HE ARG 79 -1.206 8.940 -10.628 546 HH11 ARG 79 HH11 ARG 79 -1.131 11.893 -8.753 547 HH12 ARG 79 HH12 ARG 79 -2.823 12.221 -8.968 548 HH21 ARG 79 HH21 ARG 79 -3.430 9.370 -10.915 549 HH22 ARG 79 HH22 ARG 79 -4.125 10.790 -10.193 550 H ARG 80 HN ARG 80 2.543 8.529 -5.538 551 HA ARG 80 HA ARG 80 5.108 9.679 -5.087 552 HB2 ARG 80 HB2 ARG 80 4.273 10.163 -2.821 553 HB3 ARG 80 HB1 ARG 80 3.167 10.689 -4.074 554 HG2 ARG 80 HG2 ARG 80 2.029 8.381 -3.635 555 HG3 ARG 80 HG1 ARG 80 2.871 8.497 -2.087 556 HD2 ARG 80 HD2 ARG 80 0.634 9.426 -1.896 557 HD3 ARG 80 HD1 ARG 80 1.840 10.697 -1.709 558 HE ARG 80 HE ARG 80 1.335 10.939 -4.287 559 HH11 ARG 80 HH11 ARG 80 -0.899 10.596 -1.609 560 HH12 ARG 80 HH12 ARG 80 -2.229 11.310 -2.470 561 HH21 ARG 80 HH21 ARG 80 -0.391 11.919 -5.385 562 HH22 ARG 80 HH22 ARG 80 -1.926 12.095 -4.596 563 H LEU 81 HN LEU 81 3.560 6.674 -4.099 564 HA LEU 81 HA LEU 81 5.215 5.869 -2.039 565 HB2 LEU 81 HB2 LEU 81 3.953 4.165 -4.180 566 HB3 LEU 81 HB1 LEU 81 4.643 3.543 -2.695 567 HG LEU 81 HG LEU 81 2.269 5.399 -2.883 568 HD11 LEU 81 HD11 LEU 81 1.016 3.424 -2.081 569 HD12 LEU 81 HD12 LEU 81 2.470 2.452 -2.317 570 HD13 LEU 81 HD13 LEU 81 1.692 3.224 -3.697 571 HD21 LEU 81 HD21 LEU 81 3.493 5.776 -0.834 572 HD22 LEU 81 HD22 LEU 81 3.543 4.043 -0.512 573 HD23 LEU 81 HD23 LEU 81 2.004 4.901 -0.486 574 H ARG 82 HN ARG 82 5.862 5.895 -5.450 575 HA ARG 82 HA ARG 82 8.040 4.123 -5.520 576 HB2 ARG 82 HB2 ARG 82 7.525 6.555 -7.238 577 HB3 ARG 82 HB1 ARG 82 8.650 5.256 -7.613 578 HG2 ARG 82 HG2 ARG 82 6.782 3.679 -7.698 579 HG3 ARG 82 HG1 ARG 82 5.662 4.999 -7.361 580 HD2 ARG 82 HD2 ARG 82 6.405 6.125 -9.413 581 HD3 ARG 82 HD1 ARG 82 7.488 4.774 -9.747 582 HE ARG 82 HE ARG 82 4.664 4.147 -9.437 583 HH11 ARG 82 HH11 ARG 82 7.336 4.790 -11.599 584 HH12 ARG 82 HH12 ARG 82 6.594 4.013 -12.961 585 HH21 ARG 82 HH21 ARG 82 3.683 3.098 -11.231 586 HH22 ARG 82 HH22 ARG 82 4.521 3.044 -12.750 587 H GLU 83 HN GLU 83 7.782 7.493 -4.600 588 HA GLU 83 HA GLU 83 10.425 8.282 -5.036 589 HB2 GLU 83 HB2 GLU 83 8.495 9.343 -2.970 590 HB3 GLU 83 HB1 GLU 83 9.934 10.165 -3.558 591 HG2 GLU 83 HG2 GLU 83 8.940 10.125 -5.840 592 HG3 GLU 83 HG1 GLU 83 7.462 9.485 -5.126 593 H ILE 84 HN ILE 84 8.932 7.027 -2.048 594 HA ILE 84 HA ILE 84 11.377 7.222 -0.583 595 HB ILE 84 HB ILE 84 8.655 6.523 0.041 596 HG12 ILE 84 HG12 ILE 84 9.932 6.834 2.435 597 HG13 ILE 84 HG11 ILE 84 11.016 7.680 1.337 598 HG21 ILE 84 HG21 ILE 84 10.687 4.678 1.278 599 HG22 ILE 84 HG22 ILE 84 9.391 4.215 0.175 600 HG23 ILE 84 HG23 ILE 84 8.999 4.851 1.775 601 HD11 ILE 84 HD11 ILE 84 9.403 9.192 2.309 602 HD12 ILE 84 HD12 ILE 84 8.074 8.207 1.691 603 HD13 ILE 84 HD13 ILE 84 9.148 9.053 0.569 604 H LEU 85 HN LEU 85 9.913 4.806 -2.625 605 HA LEU 85 HA LEU 85 11.506 2.661 -1.586 606 HB2 LEU 85 HB2 LEU 85 9.804 2.808 -4.068 607 HB3 LEU 85 HB1 LEU 85 10.522 1.344 -3.416 608 HG LEU 85 HG LEU 85 8.336 3.024 -2.193 609 HD11 LEU 85 HD11 LEU 85 7.670 1.419 -3.911 610 HD12 LEU 85 HD12 LEU 85 7.069 0.962 -2.318 611 HD13 LEU 85 HD13 LEU 85 8.461 0.128 -3.007 612 HD21 LEU 85 HD21 LEU 85 9.944 2.385 -0.450 613 HD22 LEU 85 HD22 LEU 85 9.795 0.696 -0.944 614 HD23 LEU 85 HD23 LEU 85 8.403 1.545 -0.270 615 H GLN 86 HN GLN 86 11.494 4.499 -4.649 616 HA GLN 86 HA GLN 86 13.842 3.367 -5.705 617 HB2 GLN 86 HB2 GLN 86 13.982 5.378 -7.103 618 HB3 GLN 86 HB1 GLN 86 12.336 4.761 -7.038 619 HG2 GLN 86 HG2 GLN 86 11.833 6.452 -5.297 620 HG3 GLN 86 HG1 GLN 86 13.446 7.120 -5.547 621 HE21 GLN 86 HE21 GLN 86 11.512 5.818 -8.143 622 HE22 GLN 86 HE22 GLN 86 11.188 7.328 -8.920 623 H THR 87 HN THR 87 13.285 5.742 -3.274 624 HA THR 87 HA THR 87 15.878 6.796 -3.033 625 HB THR 87 HB THR 87 13.348 6.765 -1.512 626 HG1 THR 87 HG1 THR 87 13.476 8.481 -2.776 627 HG21 THR 87 HG21 THR 87 14.283 7.956 0.389 628 HG22 THR 87 HG22 THR 87 15.912 7.666 -0.229 629 HG23 THR 87 HG23 THR 87 14.901 6.310 0.273 630 H GLN 88 HN GLN 88 14.425 3.818 -2.057 631 HA GLN 88 HA GLN 88 16.676 3.241 -0.243 632 HB2 GLN 88 HB2 GLN 88 13.836 2.221 -0.161 633 HB3 GLN 88 HB1 GLN 88 15.123 1.667 0.899 634 HG2 GLN 88 HG2 GLN 88 15.316 3.824 1.902 635 HG3 GLN 88 HG1 GLN 88 14.217 4.523 0.716 636 HE21 GLN 88 HE21 GLN 88 12.839 5.273 2.281 637 HE22 GLN 88 HE22 GLN 88 11.806 4.230 3.186 638 H GLY 89 HN GLY 89 15.899 2.665 -3.269 639 HA2 GLY 89 HA2 GLY 89 16.653 1.065 -4.754 640 HA3 GLY 89 HA1 GLY 89 17.330 0.182 -3.394 641 H LEU 90 HN LEU 90 14.007 1.045 -3.279 642 HA LEU 90 HA LEU 90 13.261 -1.781 -3.650 643 HB2 LEU 90 HB2 LEU 90 11.581 0.294 -2.281 644 HB3 LEU 90 HB1 LEU 90 11.546 -1.446 -2.081 645 HG LEU 90 HG LEU 90 13.819 0.306 -1.146 646 HD11 LEU 90 HD11 LEU 90 12.904 0.024 1.089 647 HD12 LEU 90 HD12 LEU 90 11.513 -0.832 0.420 648 HD13 LEU 90 HD13 LEU 90 11.771 0.870 0.037 649 HD21 LEU 90 HD21 LEU 90 14.387 -1.678 0.196 650 HD22 LEU 90 HD22 LEU 90 14.485 -1.968 -1.541 651 HD23 LEU 90 HD23 LEU 90 13.101 -2.568 -0.625 652 H ASN 91 HN ASN 91 11.077 -2.144 -4.636 653 HA ASN 91 HA ASN 91 10.315 0.057 -6.438 654 HB2 ASN 91 HB2 ASN 91 9.786 -1.612 -8.184 655 HB3 ASN 91 HB1 ASN 91 11.488 -1.620 -7.764 656 HD21 ASN 91 HD21 ASN 91 9.753 -3.648 -9.002 657 HD22 ASN 91 HD22 ASN 91 9.931 -5.065 -8.024 658 H ILE 92 HN ILE 92 8.214 0.459 -6.689 659 HA ILE 92 HA ILE 92 6.400 -0.574 -4.726 660 HB ILE 92 HB ILE 92 6.362 1.789 -5.503 661 HG12 ILE 92 HG12 ILE 92 3.894 0.087 -5.755 662 HG13 ILE 92 HG11 ILE 92 4.421 1.051 -4.382 663 HG21 ILE 92 HG21 ILE 92 5.315 0.584 -8.059 664 HG22 ILE 92 HG22 ILE 92 6.808 1.499 -7.848 665 HG23 ILE 92 HG23 ILE 92 5.247 2.298 -7.657 666 HD11 ILE 92 HD11 ILE 92 4.014 3.085 -5.746 667 HD12 ILE 92 HD12 ILE 92 2.572 2.133 -5.395 668 HD13 ILE 92 HD13 ILE 92 3.319 2.046 -6.989 669 H GLU 93 HN GLU 93 7.144 -1.236 -8.019 670 HA GLU 93 HA GLU 93 4.655 -2.293 -8.840 671 HB2 GLU 93 HB2 GLU 93 7.437 -2.688 -9.935 672 HB3 GLU 93 HB1 GLU 93 5.967 -3.227 -10.741 673 HG2 GLU 93 HG2 GLU 93 5.196 -0.969 -10.966 674 HG3 GLU 93 HG1 GLU 93 6.539 -0.369 -9.998 675 H ALA 94 HN ALA 94 6.870 -3.502 -6.677 676 HA ALA 94 HA ALA 94 6.468 -6.298 -7.333 677 HB1 ALA 94 HB1 ALA 94 7.834 -5.075 -4.938 678 HB2 ALA 94 HB2 ALA 94 8.629 -5.471 -6.461 679 HB3 ALA 94 HB3 ALA 94 7.933 -6.755 -5.472 680 H LEU 95 HN LEU 95 4.841 -3.886 -5.630 681 HA LEU 95 HA LEU 95 3.737 -5.454 -3.511 682 HB2 LEU 95 HB2 LEU 95 2.928 -2.820 -4.701 683 HB3 LEU 95 HB1 LEU 95 2.238 -3.511 -3.242 684 HG LEU 95 HG LEU 95 5.183 -2.976 -3.514 685 HD11 LEU 95 HD11 LEU 95 3.054 -1.172 -2.415 686 HD12 LEU 95 HD12 LEU 95 3.985 -0.904 -3.885 687 HD13 LEU 95 HD13 LEU 95 4.790 -0.899 -2.317 688 HD21 LEU 95 HD21 LEU 95 3.356 -3.323 -1.142 689 HD22 LEU 95 HD22 LEU 95 5.091 -3.010 -1.074 690 HD23 LEU 95 HD23 LEU 95 4.495 -4.523 -1.755 691 H PHE 96 HN PHE 96 2.594 -4.402 -6.695 692 HA PHE 96 HA PHE 96 0.080 -5.805 -6.264 693 HB2 PHE 96 HB2 PHE 96 0.028 -4.829 -8.861 694 HB3 PHE 96 HB1 PHE 96 -0.728 -4.101 -7.451 695 HD1 PHE 96 HD1 PHE 96 0.628 -2.406 -6.128 696 HD2 PHE 96 HD2 PHE 96 1.686 -3.704 -10.040 697 HE1 PHE 96 HE1 PHE 96 1.976 -0.374 -6.433 698 HE2 PHE 96 HE2 PHE 96 3.042 -1.675 -10.351 699 HZ PHE 96 HZ PHE 96 3.187 -0.004 -8.546 700 H ARG 97 HN ARG 97 3.020 -6.711 -7.159 701 HA ARG 97 HA ARG 97 2.208 -8.463 -9.333 702 HB2 ARG 97 HB2 ARG 97 4.445 -7.238 -9.240 703 HB3 ARG 97 HB1 ARG 97 4.894 -8.350 -7.962 704 HG2 ARG 97 HG2 ARG 97 3.966 -9.389 -10.604 705 HG3 ARG 97 HG1 ARG 97 5.623 -8.829 -10.398 706 HD2 ARG 97 HD2 ARG 97 5.915 -10.423 -8.555 707 HD3 ARG 97 HD1 ARG 97 4.262 -10.987 -8.790 708 HE ARG 97 HE ARG 97 5.542 -11.254 -11.232 709 HH11 ARG 97 HH11 ARG 97 5.884 -12.523 -7.991 710 HH12 ARG 97 HH12 ARG 97 6.576 -14.026 -8.514 711 HH21 ARG 97 HH21 ARG 97 6.451 -13.240 -11.928 712 HH22 ARG 97 HH22 ARG 97 6.890 -14.439 -10.751 713 H GLU 98 HN GLU 98 0.678 -9.637 -8.153 714 HA GLU 98 HA GLU 98 1.794 -11.552 -6.229 715 HB2 GLU 98 HB2 GLU 98 -0.707 -9.899 -5.982 716 HB3 GLU 98 HB1 GLU 98 -0.504 -11.402 -5.093 717 HG2 GLU 98 HG2 GLU 98 1.420 -9.098 -4.938 718 HG3 GLU 98 HG1 GLU 98 0.072 -9.335 -3.823 Start of MODEL 8 1 H1 GLY 13 HT1 GLY 13 19.363 -3.473 1.400 2 H2 GLY 13 HT2 GLY 13 18.237 -3.572 2.656 3 H3 GLY 13 HT3 GLY 13 19.855 -3.227 2.997 4 HA2 GLY 13 HA1 GLY 13 19.700 -1.131 1.829 5 HA3 GLY 13 HA2 GLY 13 18.021 -1.485 1.455 6 HA PRO 14 HA PRO 14 17.687 0.925 5.269 7 HB2 PRO 14 HB2 PRO 14 15.443 2.179 4.684 8 HB3 PRO 14 HB1 PRO 14 16.883 2.493 3.713 9 HG2 PRO 14 HG2 PRO 14 14.599 0.628 3.127 10 HG3 PRO 14 HG1 PRO 14 15.288 1.888 2.089 11 HD2 PRO 14 HD2 PRO 14 16.006 -0.738 1.927 12 HD3 PRO 14 HD1 PRO 14 17.102 0.596 1.511 13 H GLU 15 HN GLU 15 14.776 1.371 5.867 14 HA GLU 15 HA GLU 15 14.140 -0.449 7.769 15 HB2 GLU 15 HB2 GLU 15 12.894 1.635 7.291 16 HB3 GLU 15 HB1 GLU 15 12.189 0.876 5.872 17 HG2 GLU 15 HG2 GLU 15 10.569 0.808 7.593 18 HG3 GLU 15 HG1 GLU 15 11.183 -0.833 7.389 19 H ASP 16 HN ASP 16 13.476 -0.705 4.330 20 HA ASP 16 HA ASP 16 11.865 -2.937 4.224 21 HB2 ASP 16 HB2 ASP 16 12.324 -1.620 2.260 22 HB3 ASP 16 HB1 ASP 16 14.031 -2.042 2.328 23 H THR 17 HN THR 17 15.299 -3.158 3.336 24 HA THR 17 HA THR 17 16.703 -4.904 3.218 25 HB THR 17 HB THR 17 17.038 -6.108 5.434 26 HG1 THR 17 HG1 THR 17 14.749 -4.974 6.017 27 HG21 THR 17 HG21 THR 17 18.150 -4.147 6.416 28 HG22 THR 17 HG22 THR 17 17.298 -3.116 5.266 29 HG23 THR 17 HG23 THR 17 18.462 -4.308 4.688 30 H THR 18 HN THR 18 13.857 -5.561 2.507 31 HA THR 18 HA THR 18 14.304 -8.335 2.022 32 HB THR 18 HB THR 18 11.870 -7.745 3.731 33 HG1 THR 18 HG1 THR 18 14.428 -8.220 4.501 34 HG21 THR 18 HG21 THR 18 11.660 -10.174 3.808 35 HG22 THR 18 HG22 THR 18 13.111 -10.341 2.821 36 HG23 THR 18 HG23 THR 18 11.661 -9.607 2.138 37 H GLN 19 HN GLN 19 14.154 -7.101 -0.009 38 HA GLN 19 HA GLN 19 11.644 -5.977 -0.799 39 HB2 GLN 19 HB2 GLN 19 14.120 -6.646 -2.389 40 HB3 GLN 19 HB1 GLN 19 12.739 -5.756 -3.018 41 HG2 GLN 19 HG2 GLN 19 13.134 -3.924 -1.588 42 HG3 GLN 19 HG1 GLN 19 14.275 -4.843 -0.604 43 HE21 GLN 19 HE21 GLN 19 15.928 -3.375 -0.898 44 HE22 GLN 19 HE22 GLN 19 16.763 -3.193 -2.400 45 H ASP 20 HN ASP 20 10.342 -7.817 -0.323 46 HA ASP 20 HA ASP 20 10.073 -9.614 -2.618 47 HB2 ASP 20 HB2 ASP 20 11.487 -10.707 -0.768 48 HB3 ASP 20 HB1 ASP 20 10.025 -10.697 0.208 49 H ASP 21 HN ASP 21 8.177 -11.068 -0.516 50 HA ASP 21 HA ASP 21 5.851 -9.440 -0.967 51 HB2 ASP 21 HB2 ASP 21 5.827 -11.954 -0.732 52 HB3 ASP 21 HB1 ASP 21 6.184 -11.741 0.978 53 H ASP 22 HN ASP 22 8.194 -9.948 1.530 54 HA ASP 22 HA ASP 22 6.971 -8.513 3.629 55 HB2 ASP 22 HB2 ASP 22 8.986 -10.098 3.747 56 HB3 ASP 22 HB1 ASP 22 9.949 -8.716 3.237 57 H MET 23 HN MET 23 8.503 -7.494 0.737 58 HA MET 23 HA MET 23 9.469 -4.982 1.246 59 HB2 MET 23 HB2 MET 23 9.704 -5.652 -0.952 60 HB3 MET 23 HB1 MET 23 8.040 -6.186 -1.083 61 HG2 MET 23 HG2 MET 23 8.475 -4.255 -2.482 62 HG3 MET 23 HG1 MET 23 7.291 -3.880 -1.234 63 HE1 MET 23 HE1 MET 23 11.641 -2.392 -1.357 64 HE2 MET 23 HE2 MET 23 10.820 -3.166 -2.712 65 HE3 MET 23 HE3 MET 23 11.202 -4.095 -1.263 66 H LYS 24 HN LYS 24 6.152 -6.023 1.449 67 HA LYS 24 HA LYS 24 4.923 -3.503 1.280 68 HB2 LYS 24 HB2 LYS 24 3.666 -5.631 1.228 69 HB3 LYS 24 HB1 LYS 24 4.032 -5.871 2.933 70 HG2 LYS 24 HG2 LYS 24 1.766 -4.969 2.537 71 HG3 LYS 24 HG1 LYS 24 2.769 -3.909 3.533 72 HD2 LYS 24 HD2 LYS 24 3.326 -2.632 1.454 73 HD3 LYS 24 HD1 LYS 24 2.117 -3.599 0.609 74 HE2 LYS 24 HE2 LYS 24 1.323 -1.380 1.396 75 HE3 LYS 24 HE1 LYS 24 0.380 -2.746 1.980 76 HZ1 LYS 24 HZ1 LYS 24 0.834 -1.110 3.721 77 HZ2 LYS 24 HZ2 LYS 24 2.500 -1.355 3.527 78 HZ3 LYS 24 HZ3 LYS 24 1.522 -2.612 4.088 79 H GLN 25 HN GLN 25 6.782 -5.008 3.767 80 HA GLN 25 HA GLN 25 6.009 -3.350 5.938 81 HB2 GLN 25 HB2 GLN 25 7.091 -5.387 6.473 82 HB3 GLN 25 HB1 GLN 25 8.423 -5.061 5.379 83 HG2 GLN 25 HG2 GLN 25 8.206 -3.024 7.416 84 HG3 GLN 25 HG1 GLN 25 8.362 -4.635 8.117 85 HE21 GLN 25 HE21 GLN 25 9.680 -3.813 5.004 86 HE22 GLN 25 HE22 GLN 25 11.346 -3.897 5.455 87 H SER 26 HN SER 26 8.347 -3.041 3.325 88 HA SER 26 HA SER 26 9.700 -0.769 4.287 89 HB2 SER 26 HB2 SER 26 10.498 -2.082 2.367 90 HB3 SER 26 HB1 SER 26 9.096 -1.589 1.436 91 HG SER 26 HG SER 26 10.577 -0.161 0.834 92 H ILE 27 HN ILE 27 6.740 -1.184 2.419 93 HA ILE 27 HA ILE 27 6.304 1.606 2.012 94 HB ILE 27 HB ILE 27 4.098 -0.431 1.952 95 HG12 ILE 27 HG12 ILE 27 5.999 -1.407 0.711 96 HG13 ILE 27 HG11 ILE 27 4.684 -0.944 -0.370 97 HG21 ILE 27 HG21 ILE 27 3.364 1.045 0.067 98 HG22 ILE 27 HG22 ILE 27 4.693 2.126 0.476 99 HG23 ILE 27 HG23 ILE 27 3.407 1.830 1.644 100 HD11 ILE 27 HD11 ILE 27 7.197 0.630 0.109 101 HD12 ILE 27 HD12 ILE 27 5.890 1.070 -0.990 102 HD13 ILE 27 HD13 ILE 27 6.854 -0.376 -1.299 103 H VAL 28 HN VAL 28 5.861 -0.476 4.644 104 HA VAL 28 HA VAL 28 3.720 0.761 5.974 105 HB VAL 28 HB VAL 28 6.118 -0.749 7.017 106 HG11 VAL 28 HG11 VAL 28 5.006 -0.890 9.173 107 HG12 VAL 28 HG12 VAL 28 3.713 0.160 8.594 108 HG13 VAL 28 HG13 VAL 28 5.353 0.789 8.764 109 HG21 VAL 28 HG21 VAL 28 4.496 -2.536 7.374 110 HG22 VAL 28 HG22 VAL 28 4.494 -2.021 5.688 111 HG23 VAL 28 HG23 VAL 28 3.204 -1.499 6.770 112 H LYS 29 HN LYS 29 7.088 1.645 5.584 113 HA LYS 29 HA LYS 29 7.202 3.628 7.598 114 HB2 LYS 29 HB2 LYS 29 9.281 4.196 6.726 115 HB3 LYS 29 HB1 LYS 29 9.113 2.525 6.213 116 HG2 LYS 29 HG2 LYS 29 9.787 3.376 4.236 117 HG3 LYS 29 HG1 LYS 29 8.069 3.744 4.065 118 HD2 LYS 29 HD2 LYS 29 9.157 5.747 3.512 119 HD3 LYS 29 HD1 LYS 29 8.626 5.981 5.178 120 HE2 LYS 29 HE2 LYS 29 10.939 5.110 5.831 121 HE3 LYS 29 HE1 LYS 29 11.375 5.389 4.146 122 HZ1 LYS 29 HZ1 LYS 29 11.955 7.273 5.538 123 HZ2 LYS 29 HZ2 LYS 29 10.346 7.442 6.029 124 HZ3 LYS 29 HZ3 LYS 29 10.770 7.712 4.416 125 H TRP 30 HN TRP 30 5.949 3.588 4.348 126 HA TRP 30 HA TRP 30 5.824 6.340 3.815 127 HB2 TRP 30 HB2 TRP 30 4.647 3.891 2.718 128 HB3 TRP 30 HB1 TRP 30 3.632 5.314 2.515 129 HD1 TRP 30 HD1 TRP 30 6.418 3.534 0.887 130 HE1 TRP 30 HE1 TRP 30 7.471 4.997 -0.937 131 HE3 TRP 30 HE3 TRP 30 4.341 8.039 2.138 132 HZ2 TRP 30 HZ2 TRP 30 7.426 7.698 -1.747 133 HZ3 TRP 30 HZ3 TRP 30 4.901 10.008 0.779 134 HH2 TRP 30 HH2 TRP 30 6.413 9.841 -1.121 135 H LEU 31 HN LEU 31 3.943 4.322 5.887 136 HA LEU 31 HA LEU 31 1.547 5.790 5.981 137 HB2 LEU 31 HB2 LEU 31 0.958 4.076 7.279 138 HB3 LEU 31 HB1 LEU 31 2.605 3.494 7.190 139 HG LEU 31 HG LEU 31 3.050 5.002 9.238 140 HD11 LEU 31 HD11 LEU 31 0.050 4.773 9.433 141 HD12 LEU 31 HD12 LEU 31 0.952 6.261 9.144 142 HD13 LEU 31 HD13 LEU 31 1.132 5.403 10.674 143 HD21 LEU 31 HD21 LEU 31 3.080 2.586 9.320 144 HD22 LEU 31 HD22 LEU 31 1.320 2.543 9.437 145 HD23 LEU 31 HD23 LEU 31 2.275 3.231 10.752 146 H PHE 32 HN PHE 32 4.624 6.171 7.593 147 HA PHE 32 HA PHE 32 3.650 8.186 9.410 148 HB2 PHE 32 HB2 PHE 32 6.507 7.442 8.755 149 HB3 PHE 32 HB1 PHE 32 5.949 8.343 10.162 150 HD1 PHE 32 HD1 PHE 32 6.822 5.169 8.910 151 HD2 PHE 32 HD2 PHE 32 4.267 7.099 11.708 152 HE1 PHE 32 HE1 PHE 32 6.599 3.057 10.153 153 HE2 PHE 32 HE2 PHE 32 4.038 4.994 12.959 154 HZ PHE 32 HZ PHE 32 5.206 2.969 12.183 155 H GLU 33 HN GLU 33 4.252 8.197 6.179 156 HA GLU 33 HA GLU 33 5.406 10.899 6.187 157 HB2 GLU 33 HB2 GLU 33 6.650 9.156 4.931 158 HB3 GLU 33 HB1 GLU 33 5.242 8.929 3.903 159 HG2 GLU 33 HG2 GLU 33 6.951 10.317 2.842 160 HG3 GLU 33 HG1 GLU 33 5.435 11.185 3.069 161 H LEU 34 HN LEU 34 2.936 8.966 4.423 162 HA LEU 34 HA LEU 34 1.716 11.529 3.656 163 HB2 LEU 34 HB2 LEU 34 2.209 9.116 2.263 164 HB3 LEU 34 HB1 LEU 34 0.470 9.307 2.377 165 HG LEU 34 HG LEU 34 1.439 10.256 0.298 166 HD11 LEU 34 HD11 LEU 34 0.241 12.381 0.403 167 HD12 LEU 34 HD12 LEU 34 0.183 12.267 2.161 168 HD13 LEU 34 HD13 LEU 34 -0.680 11.089 1.172 169 HD21 LEU 34 HD21 LEU 34 2.594 12.428 2.017 170 HD22 LEU 34 HD22 LEU 34 2.875 12.108 0.304 171 HD23 LEU 34 HD23 LEU 34 3.543 11.028 1.529 172 H ASN 35 HN ASN 35 1.019 8.473 5.193 173 HA ASN 35 HA ASN 35 -0.650 9.133 7.139 174 HB2 ASN 35 HB2 ASN 35 -2.983 8.821 6.312 175 HB3 ASN 35 HB1 ASN 35 -2.235 10.292 5.716 176 HD21 ASN 35 HD21 ASN 35 -3.703 10.407 4.028 177 HD22 ASN 35 HD22 ASN 35 -3.593 9.371 2.645 178 H ALA 36 HN ALA 36 -2.192 7.310 7.783 179 HA ALA 36 HA ALA 36 -0.863 4.830 7.431 180 HB1 ALA 36 HB1 ALA 36 -3.604 5.334 8.566 181 HB2 ALA 36 HB2 ALA 36 -2.097 5.411 9.476 182 HB3 ALA 36 HB3 ALA 36 -2.631 3.881 8.779 183 H LYS 37 HN LYS 37 -3.493 6.422 5.844 184 HA LYS 37 HA LYS 37 -4.857 4.298 4.721 185 HB2 LYS 37 HB2 LYS 37 -4.391 7.100 3.742 186 HB3 LYS 37 HB1 LYS 37 -5.359 5.952 2.824 187 HG2 LYS 37 HG2 LYS 37 -5.911 6.705 5.681 188 HG3 LYS 37 HG1 LYS 37 -6.672 7.474 4.288 189 HD2 LYS 37 HD2 LYS 37 -7.826 5.535 3.698 190 HD3 LYS 37 HD1 LYS 37 -6.761 4.499 4.649 191 HE2 LYS 37 HE2 LYS 37 -8.720 6.501 5.760 192 HE3 LYS 37 HE1 LYS 37 -8.958 4.755 5.699 193 HZ1 LYS 37 HZ1 LYS 37 -8.204 5.323 7.862 194 HZ2 LYS 37 HZ2 LYS 37 -6.913 6.231 7.260 195 HZ3 LYS 37 HZ3 LYS 37 -6.916 4.545 7.078 196 H GLN 38 HN GLN 38 -2.150 6.127 3.219 197 HA GLN 38 HA GLN 38 -2.138 4.562 0.890 198 HB2 GLN 38 HB2 GLN 38 0.019 6.228 2.168 199 HB3 GLN 38 HB1 GLN 38 0.141 5.543 0.545 200 HG2 GLN 38 HG2 GLN 38 -2.257 6.759 0.378 201 HG3 GLN 38 HG1 GLN 38 -1.451 7.812 1.536 202 HE21 GLN 38 HE21 GLN 38 -2.326 8.254 -1.233 203 HE22 GLN 38 HE22 GLN 38 -0.918 8.776 -2.080 204 H ARG 39 HN ARG 39 -0.695 4.029 4.002 205 HA ARG 39 HA ARG 39 0.933 1.833 3.181 206 HB2 ARG 39 HB2 ARG 39 1.704 2.691 5.151 207 HB3 ARG 39 HB1 ARG 39 0.097 3.037 5.762 208 HG2 ARG 39 HG2 ARG 39 0.877 0.187 5.519 209 HG3 ARG 39 HG1 ARG 39 1.644 1.144 6.789 210 HD2 ARG 39 HD2 ARG 39 -0.654 1.855 7.509 211 HD3 ARG 39 HD1 ARG 39 -1.307 0.683 6.364 212 HE ARG 39 HE ARG 39 0.506 -0.637 8.040 213 HH11 ARG 39 HH11 ARG 39 -2.600 0.963 8.219 214 HH12 ARG 39 HH12 ARG 39 -3.167 -0.001 9.541 215 HH21 ARG 39 HH21 ARG 39 -0.239 -1.908 9.789 216 HH22 ARG 39 HH22 ARG 39 -1.826 -1.630 10.430 217 H GLU 40 HN GLU 40 -2.325 2.077 4.621 218 HA GLU 40 HA GLU 40 -2.558 -0.782 4.803 219 HB2 GLU 40 HB2 GLU 40 -4.820 -0.379 5.602 220 HB3 GLU 40 HB1 GLU 40 -3.668 0.654 6.432 221 HG2 GLU 40 HG2 GLU 40 -4.320 2.486 4.862 222 HG3 GLU 40 HG1 GLU 40 -5.603 1.438 4.268 223 H VAL 41 HN VAL 41 -3.778 1.670 2.558 224 HA VAL 41 HA VAL 41 -5.706 0.217 1.248 225 HB VAL 41 HB VAL 41 -5.342 1.690 -0.679 226 HG11 VAL 41 HG11 VAL 41 -6.592 2.338 1.423 227 HG12 VAL 41 HG12 VAL 41 -6.074 3.650 0.368 228 HG13 VAL 41 HG13 VAL 41 -5.172 3.296 1.842 229 HG21 VAL 41 HG21 VAL 41 -2.977 2.689 0.898 230 HG22 VAL 41 HG22 VAL 41 -3.635 3.457 -0.548 231 HG23 VAL 41 HG23 VAL 41 -2.921 1.845 -0.651 232 H LEU 42 HN LEU 42 -2.223 0.287 0.470 233 HA LEU 42 HA LEU 42 -2.374 -1.316 -1.831 234 HB2 LEU 42 HB2 LEU 42 -0.105 -1.391 0.140 235 HB3 LEU 42 HB1 LEU 42 -0.042 -1.736 -1.571 236 HG LEU 42 HG LEU 42 -0.506 0.986 -0.361 237 HD11 LEU 42 HD11 LEU 42 1.752 0.055 -0.024 238 HD12 LEU 42 HD12 LEU 42 1.734 1.468 -1.076 239 HD13 LEU 42 HD13 LEU 42 1.903 -0.143 -1.769 240 HD21 LEU 42 HD21 LEU 42 -1.598 0.792 -2.505 241 HD22 LEU 42 HD22 LEU 42 -0.143 0.101 -3.219 242 HD23 LEU 42 HD23 LEU 42 -0.146 1.776 -2.668 243 H ALA 43 HN ALA 43 -1.764 -2.135 1.550 244 HA ALA 43 HA ALA 43 -1.354 -4.879 1.188 245 HB1 ALA 43 HB1 ALA 43 -0.710 -3.742 3.237 246 HB2 ALA 43 HB2 ALA 43 -1.807 -5.074 3.598 247 HB3 ALA 43 HB3 ALA 43 -2.402 -3.412 3.611 248 H ARG 44 HN ARG 44 -4.267 -2.980 1.552 249 HA ARG 44 HA ARG 44 -5.895 -5.293 2.058 250 HB2 ARG 44 HB2 ARG 44 -6.263 -3.020 3.045 251 HB3 ARG 44 HB1 ARG 44 -6.784 -2.480 1.456 252 HG2 ARG 44 HG2 ARG 44 -8.674 -3.847 1.494 253 HG3 ARG 44 HG1 ARG 44 -8.058 -4.804 2.840 254 HD2 ARG 44 HD2 ARG 44 -8.725 -1.878 3.044 255 HD3 ARG 44 HD1 ARG 44 -9.863 -3.166 3.422 256 HE ARG 44 HE ARG 44 -7.665 -2.269 5.036 257 HH11 ARG 44 HH11 ARG 44 -9.687 -5.021 4.271 258 HH12 ARG 44 HH12 ARG 44 -9.495 -5.756 5.832 259 HH21 ARG 44 HH21 ARG 44 -7.419 -3.235 7.100 260 HH22 ARG 44 HH22 ARG 44 -8.214 -4.740 7.440 261 H ARG 45 HN ARG 45 -5.211 -3.189 -0.719 262 HA ARG 45 HA ARG 45 -7.173 -4.603 -2.312 263 HB2 ARG 45 HB2 ARG 45 -5.356 -2.291 -2.774 264 HB3 ARG 45 HB1 ARG 45 -5.983 -3.163 -4.169 265 HG2 ARG 45 HG2 ARG 45 -7.750 -2.075 -1.994 266 HG3 ARG 45 HG1 ARG 45 -7.306 -1.150 -3.430 267 HD2 ARG 45 HD2 ARG 45 -8.688 -3.841 -3.472 268 HD3 ARG 45 HD1 ARG 45 -9.506 -2.286 -3.625 269 HE ARG 45 HE ARG 45 -7.959 -1.987 -5.642 270 HH11 ARG 45 HH11 ARG 45 -9.272 -5.095 -4.649 271 HH12 ARG 45 HH12 ARG 45 -9.203 -5.756 -6.253 272 HH21 ARG 45 HH21 ARG 45 -7.900 -2.870 -7.732 273 HH22 ARG 45 HH22 ARG 45 -8.432 -4.501 -7.992 274 H PHE 46 HN PHE 46 -3.878 -5.061 -1.525 275 HA PHE 46 HA PHE 46 -3.564 -6.829 -3.853 276 HB2 PHE 46 HB2 PHE 46 -1.431 -5.824 -1.961 277 HB3 PHE 46 HB1 PHE 46 -1.154 -6.837 -3.368 278 HD1 PHE 46 HD1 PHE 46 -0.138 -3.937 -2.516 279 HD2 PHE 46 HD2 PHE 46 -3.021 -5.439 -5.262 280 HE1 PHE 46 HE1 PHE 46 0.129 -1.924 -3.899 281 HE2 PHE 46 HE2 PHE 46 -2.761 -3.431 -6.647 282 HZ PHE 46 HZ PHE 46 -1.088 -1.654 -5.925 283 H GLY 47 HN GLY 47 -3.877 -6.808 -0.413 284 HA2 GLY 47 HA2 GLY 47 -4.437 -8.678 0.889 285 HA3 GLY 47 HA1 GLY 47 -3.870 -9.723 -0.406 286 H LEU 48 HN LEU 48 -1.989 -7.062 0.820 287 HA LEU 48 HA LEU 48 0.135 -8.944 1.510 288 HB2 LEU 48 HB2 LEU 48 0.278 -5.938 1.364 289 HB3 LEU 48 HB1 LEU 48 1.622 -7.057 1.411 290 HG LEU 48 HG LEU 48 -0.340 -6.826 -0.866 291 HD11 LEU 48 HD11 LEU 48 1.508 -5.773 -2.078 292 HD12 LEU 48 HD12 LEU 48 2.476 -5.790 -0.604 293 HD13 LEU 48 HD13 LEU 48 1.005 -4.818 -0.682 294 HD21 LEU 48 HD21 LEU 48 2.249 -8.352 -0.609 295 HD22 LEU 48 HD22 LEU 48 1.281 -8.209 -2.077 296 HD23 LEU 48 HD23 LEU 48 0.629 -9.050 -0.671 297 H LEU 49 HN LEU 49 1.478 -8.440 3.431 298 HA LEU 49 HA LEU 49 1.769 -8.166 5.662 299 HB2 LEU 49 HB2 LEU 49 0.802 -5.761 4.675 300 HB3 LEU 49 HB1 LEU 49 -0.206 -6.068 6.074 301 HG LEU 49 HG LEU 49 1.680 -4.668 6.665 302 HD11 LEU 49 HD11 LEU 49 0.840 -6.192 8.362 303 HD12 LEU 49 HD12 LEU 49 2.578 -5.953 8.531 304 HD13 LEU 49 HD13 LEU 49 1.959 -7.438 7.811 305 HD21 LEU 49 HD21 LEU 49 3.970 -5.459 6.533 306 HD22 LEU 49 HD22 LEU 49 3.235 -5.434 4.931 307 HD23 LEU 49 HD23 LEU 49 3.427 -6.962 5.789 308 H GLY 50 HN GLY 50 -0.348 -9.971 4.730 309 HA2 GLY 50 HA2 GLY 50 -1.744 -11.435 5.862 310 HA3 GLY 50 HA1 GLY 50 -1.586 -10.428 7.293 311 H TYR 51 HN TYR 51 -2.416 -8.454 4.752 312 HA TYR 51 HA TYR 51 -5.106 -8.151 5.690 313 HB2 TYR 51 HB2 TYR 51 -3.536 -6.898 3.462 314 HB3 TYR 51 HB1 TYR 51 -5.257 -6.604 3.636 315 HD1 TYR 51 HD1 TYR 51 -5.557 -4.435 4.406 316 HD2 TYR 51 HD2 TYR 51 -2.509 -6.841 6.133 317 HE1 TYR 51 HE1 TYR 51 -5.086 -2.659 6.037 318 HE2 TYR 51 HE2 TYR 51 -2.030 -5.073 7.761 319 HH TYR 51 HH TYR 51 -2.310 -2.605 7.939 320 H GLU 52 HN GLU 52 -6.910 -8.027 4.034 321 HA GLU 52 HA GLU 52 -6.795 -10.444 2.372 322 HB2 GLU 52 HB2 GLU 52 -9.291 -10.449 2.590 323 HB3 GLU 52 HB1 GLU 52 -8.415 -10.741 4.085 324 HG2 GLU 52 HG2 GLU 52 -8.769 -8.388 4.721 325 HG3 GLU 52 HG1 GLU 52 -9.711 -8.156 3.246 326 H ALA 53 HN ALA 53 -6.655 -10.087 0.299 327 HA ALA 53 HA ALA 53 -7.139 -7.546 -0.894 328 HB1 ALA 53 HB1 ALA 53 -6.627 -8.675 -3.003 329 HB2 ALA 53 HB2 ALA 53 -6.706 -10.240 -2.195 330 HB3 ALA 53 HB3 ALA 53 -5.444 -9.086 -1.763 331 H ALA 54 HN ALA 54 -9.023 -6.754 -1.513 332 HA ALA 54 HA ALA 54 -11.174 -8.590 -2.299 333 HB1 ALA 54 HB1 ALA 54 -11.574 -6.341 -0.341 334 HB2 ALA 54 HB2 ALA 54 -11.426 -8.041 0.108 335 HB3 ALA 54 HB3 ALA 54 -12.781 -7.505 -0.886 336 H THR 55 HN THR 55 -13.207 -6.816 -2.745 337 HA THR 55 HA THR 55 -12.241 -5.501 -5.118 338 HB THR 55 HB THR 55 -14.640 -4.956 -5.474 339 HG1 THR 55 HG1 THR 55 -15.614 -6.590 -3.519 340 HG21 THR 55 HG21 THR 55 -15.417 -7.260 -5.802 341 HG22 THR 55 HG22 THR 55 -14.106 -7.848 -4.779 342 HG23 THR 55 HG23 THR 55 -13.743 -7.069 -6.318 343 H LEU 56 HN LEU 56 -13.458 -3.216 -5.440 344 HA LEU 56 HA LEU 56 -12.154 -1.459 -3.673 345 HB2 LEU 56 HB2 LEU 56 -14.542 -0.826 -5.392 346 HB3 LEU 56 HB1 LEU 56 -13.393 0.323 -4.747 347 HG LEU 56 HG LEU 56 -13.219 -1.396 -7.138 348 HD11 LEU 56 HD11 LEU 56 -13.552 0.954 -7.378 349 HD12 LEU 56 HD12 LEU 56 -11.916 0.574 -7.915 350 HD13 LEU 56 HD13 LEU 56 -12.178 1.317 -6.332 351 HD21 LEU 56 HD21 LEU 56 -10.714 -1.241 -7.093 352 HD22 LEU 56 HD22 LEU 56 -11.414 -2.409 -5.975 353 HD23 LEU 56 HD23 LEU 56 -10.841 -0.856 -5.380 354 H GLU 57 HN GLU 57 -15.502 -2.509 -3.936 355 HA GLU 57 HA GLU 57 -16.564 -0.994 -1.820 356 HB2 GLU 57 HB2 GLU 57 -17.374 -3.485 -3.257 357 HB3 GLU 57 HB1 GLU 57 -18.247 -3.005 -1.815 358 HG2 GLU 57 HG2 GLU 57 -18.739 -0.833 -2.873 359 HG3 GLU 57 HG1 GLU 57 -17.909 -1.383 -4.330 360 H ASP 58 HN ASP 58 -15.381 -4.344 -1.918 361 HA ASP 58 HA ASP 58 -16.201 -4.909 0.722 362 HB2 ASP 58 HB2 ASP 58 -14.342 -6.329 -1.164 363 HB3 ASP 58 HB1 ASP 58 -14.670 -6.933 0.457 364 H VAL 59 HN VAL 59 -13.152 -3.724 -0.588 365 HA VAL 59 HA VAL 59 -11.726 -4.081 1.863 366 HB VAL 59 HB VAL 59 -10.017 -2.577 0.907 367 HG11 VAL 59 HG11 VAL 59 -9.307 -4.028 -0.872 368 HG12 VAL 59 HG12 VAL 59 -10.947 -4.639 -1.075 369 HG13 VAL 59 HG13 VAL 59 -10.050 -5.000 0.401 370 HG21 VAL 59 HG21 VAL 59 -11.882 -2.373 -1.450 371 HG22 VAL 59 HG22 VAL 59 -10.246 -1.720 -1.354 372 HG23 VAL 59 HG23 VAL 59 -11.517 -1.077 -0.314 373 H GLY 60 HN GLY 60 -13.538 -1.418 0.418 374 HA2 GLY 60 HA2 GLY 60 -12.834 0.535 2.350 375 HA3 GLY 60 HA1 GLY 60 -14.253 0.581 1.307 376 H ARG 61 HN ARG 61 -15.446 -1.803 2.121 377 HA ARG 61 HA ARG 61 -16.942 -0.990 4.330 378 HB2 ARG 61 HB2 ARG 61 -16.565 -3.756 3.177 379 HB3 ARG 61 HB1 ARG 61 -17.802 -3.327 4.350 380 HG2 ARG 61 HG2 ARG 61 -18.875 -1.870 2.788 381 HG3 ARG 61 HG1 ARG 61 -17.554 -2.058 1.632 382 HD2 ARG 61 HD2 ARG 61 -19.471 -3.425 0.997 383 HD3 ARG 61 HD1 ARG 61 -18.085 -4.432 1.408 384 HE ARG 61 HE ARG 61 -20.204 -3.921 3.380 385 HH11 ARG 61 HH11 ARG 61 -18.350 -6.168 1.420 386 HH12 ARG 61 HH12 ARG 61 -18.936 -7.567 2.260 387 HH21 ARG 61 HH21 ARG 61 -20.971 -5.768 4.474 388 HH22 ARG 61 HH22 ARG 61 -20.434 -7.342 3.984 389 H GLU 62 HN GLU 62 -14.007 -2.870 4.127 390 HA GLU 62 HA GLU 62 -14.204 -4.030 6.722 391 HB2 GLU 62 HB2 GLU 62 -11.943 -3.771 4.761 392 HB3 GLU 62 HB1 GLU 62 -11.744 -4.532 6.333 393 HG2 GLU 62 HG2 GLU 62 -13.613 -5.403 4.142 394 HG3 GLU 62 HG1 GLU 62 -12.119 -6.201 4.635 395 H ILE 63 HN ILE 63 -12.975 -0.987 5.539 396 HA ILE 63 HA ILE 63 -11.818 -0.515 8.205 397 HB ILE 63 HB ILE 63 -10.445 1.236 7.280 398 HG12 ILE 63 HG12 ILE 63 -11.609 0.542 4.574 399 HG13 ILE 63 HG11 ILE 63 -12.011 1.989 5.495 400 HG21 ILE 63 HG21 ILE 63 -9.587 -1.030 7.242 401 HG22 ILE 63 HG22 ILE 63 -9.002 -0.127 5.843 402 HG23 ILE 63 HG23 ILE 63 -10.311 -1.295 5.655 403 HD11 ILE 63 HD11 ILE 63 -9.679 2.716 5.366 404 HD12 ILE 63 HD12 ILE 63 -10.373 2.473 3.763 405 HD13 ILE 63 HD13 ILE 63 -9.277 1.267 4.443 406 H GLY 64 HN GLY 64 -14.518 0.115 6.435 407 HA2 GLY 64 HA2 GLY 64 -16.368 1.302 7.224 408 HA3 GLY 64 HA1 GLY 64 -15.317 2.136 8.356 409 H LEU 65 HN LEU 65 -14.300 2.046 5.087 410 HA LEU 65 HA LEU 65 -15.105 4.862 4.809 411 HB2 LEU 65 HB2 LEU 65 -12.544 3.473 4.185 412 HB3 LEU 65 HB1 LEU 65 -13.027 4.822 3.178 413 HG LEU 65 HG LEU 65 -11.531 5.663 4.823 414 HD11 LEU 65 HD11 LEU 65 -13.538 7.026 4.325 415 HD12 LEU 65 HD12 LEU 65 -12.840 7.339 5.913 416 HD13 LEU 65 HD13 LEU 65 -14.300 6.363 5.769 417 HD21 LEU 65 HD21 LEU 65 -13.277 4.334 6.887 418 HD22 LEU 65 HD22 LEU 65 -11.929 5.415 7.235 419 HD23 LEU 65 HD23 LEU 65 -11.636 3.870 6.440 420 H THR 66 HN THR 66 -14.742 5.474 2.330 421 HA THR 66 HA THR 66 -16.623 3.864 0.892 422 HB THR 66 HB THR 66 -15.046 6.176 -0.228 423 HG1 THR 66 HG1 THR 66 -17.405 6.194 1.386 424 HG21 THR 66 HG21 THR 66 -17.808 5.113 -0.845 425 HG22 THR 66 HG22 THR 66 -16.371 4.906 -1.846 426 HG23 THR 66 HG23 THR 66 -17.051 6.516 -1.603 427 H ARG 67 HN ARG 67 -16.232 2.955 -1.208 428 HA ARG 67 HA ARG 67 -14.068 1.278 -1.477 429 HB2 ARG 67 HB2 ARG 67 -14.720 1.271 -3.946 430 HB3 ARG 67 HB1 ARG 67 -15.966 0.829 -2.787 431 HG2 ARG 67 HG2 ARG 67 -16.934 3.049 -2.961 432 HG3 ARG 67 HG1 ARG 67 -15.651 3.535 -4.069 433 HD2 ARG 67 HD2 ARG 67 -17.534 1.252 -4.611 434 HD3 ARG 67 HD1 ARG 67 -17.841 2.905 -5.140 435 HE ARG 67 HE ARG 67 -15.492 2.569 -6.235 436 HH11 ARG 67 HH11 ARG 67 -18.097 0.251 -6.023 437 HH12 ARG 67 HH12 ARG 67 -17.659 -0.577 -7.481 438 HH21 ARG 67 HH21 ARG 67 -14.939 1.513 -8.194 439 HH22 ARG 67 HH22 ARG 67 -15.861 0.139 -8.715 440 H GLU 68 HN GLU 68 -14.457 4.560 -2.635 441 HA GLU 68 HA GLU 68 -12.184 4.718 -4.273 442 HB2 GLU 68 HB2 GLU 68 -13.794 6.414 -4.520 443 HB3 GLU 68 HB1 GLU 68 -13.874 6.716 -2.798 444 HG2 GLU 68 HG2 GLU 68 -11.711 7.778 -2.836 445 HG3 GLU 68 HG1 GLU 68 -11.532 7.400 -4.545 446 H ARG 69 HN ARG 69 -12.634 5.093 -0.810 447 HA ARG 69 HA ARG 69 -10.292 6.536 -0.285 448 HB2 ARG 69 HB2 ARG 69 -11.786 4.633 1.521 449 HB3 ARG 69 HB1 ARG 69 -10.555 5.773 2.047 450 HG2 ARG 69 HG2 ARG 69 -13.275 6.386 0.918 451 HG3 ARG 69 HG1 ARG 69 -12.658 6.741 2.533 452 HD2 ARG 69 HD2 ARG 69 -10.964 8.241 1.494 453 HD3 ARG 69 HD1 ARG 69 -11.747 7.967 -0.063 454 HE ARG 69 HE ARG 69 -13.793 8.835 1.426 455 HH11 ARG 69 HH11 ARG 69 -10.547 10.081 1.053 456 HH12 ARG 69 HH12 ARG 69 -11.015 11.735 1.260 457 HH21 ARG 69 HH21 ARG 69 -14.417 11.014 1.719 458 HH22 ARG 69 HH22 ARG 69 -13.218 12.264 1.641 459 H VAL 70 HN VAL 70 -10.891 3.019 -0.171 460 HA VAL 70 HA VAL 70 -8.161 2.479 0.448 461 HB VAL 70 HB VAL 70 -10.122 0.527 -0.735 462 HG11 VAL 70 HG11 VAL 70 -8.751 -1.140 0.388 463 HG12 VAL 70 HG12 VAL 70 -7.709 0.125 1.031 464 HG13 VAL 70 HG13 VAL 70 -7.766 -0.171 -0.706 465 HG21 VAL 70 HG21 VAL 70 -9.685 1.240 2.163 466 HG22 VAL 70 HG22 VAL 70 -10.691 -0.081 1.569 467 HG23 VAL 70 HG23 VAL 70 -11.129 1.590 1.212 468 H ARG 71 HN ARG 71 -10.080 2.146 -2.539 469 HA ARG 71 HA ARG 71 -7.879 1.152 -4.031 470 HB2 ARG 71 HB2 ARG 71 -10.010 0.528 -4.758 471 HB3 ARG 71 HB1 ARG 71 -10.583 2.179 -4.817 472 HG2 ARG 71 HG2 ARG 71 -10.240 1.295 -7.049 473 HG3 ARG 71 HG1 ARG 71 -9.139 2.630 -6.727 474 HD2 ARG 71 HD2 ARG 71 -7.305 1.143 -6.428 475 HD3 ARG 71 HD1 ARG 71 -8.367 -0.265 -6.434 476 HE ARG 71 HE ARG 71 -8.876 0.429 -8.817 477 HH11 ARG 71 HH11 ARG 71 -5.771 1.111 -7.315 478 HH12 ARG 71 HH12 ARG 71 -4.902 1.046 -8.810 479 HH21 ARG 71 HH21 ARG 71 -7.729 0.374 -10.773 480 HH22 ARG 71 HH22 ARG 71 -6.013 0.635 -10.778 481 H GLN 72 HN GLN 72 -9.518 4.322 -4.213 482 HA GLN 72 HA GLN 72 -7.881 5.297 -6.267 483 HB2 GLN 72 HB2 GLN 72 -9.869 6.398 -4.390 484 HB3 GLN 72 HB1 GLN 72 -8.872 7.517 -5.315 485 HG2 GLN 72 HG2 GLN 72 -11.125 6.715 -6.186 486 HG3 GLN 72 HG1 GLN 72 -9.799 6.915 -7.287 487 HE21 GLN 72 HE21 GLN 72 -12.107 4.794 -5.967 488 HE22 GLN 72 HE22 GLN 72 -11.627 3.377 -6.822 489 H ILE 73 HN ILE 73 -7.933 6.017 -2.822 490 HA ILE 73 HA ILE 73 -5.687 7.671 -2.738 491 HB ILE 73 HB ILE 73 -6.708 5.766 -0.634 492 HG12 ILE 73 HG12 ILE 73 -6.991 8.759 -0.992 493 HG13 ILE 73 HG11 ILE 73 -8.241 7.568 -1.334 494 HG21 ILE 73 HG21 ILE 73 -4.370 6.217 -0.175 495 HG22 ILE 73 HG22 ILE 73 -5.385 7.088 0.976 496 HG23 ILE 73 HG23 ILE 73 -4.641 7.949 -0.372 497 HD11 ILE 73 HD11 ILE 73 -8.288 6.952 1.029 498 HD12 ILE 73 HD12 ILE 73 -8.643 8.661 0.783 499 HD13 ILE 73 HD13 ILE 73 -7.052 8.166 1.363 500 H GLN 74 HN GLN 74 -5.870 4.152 -2.863 501 HA GLN 74 HA GLN 74 -3.070 3.698 -2.655 502 HB2 GLN 74 HB2 GLN 74 -4.467 1.800 -2.301 503 HB3 GLN 74 HB1 GLN 74 -5.353 2.091 -3.794 504 HG2 GLN 74 HG2 GLN 74 -2.576 1.687 -4.365 505 HG3 GLN 74 HG1 GLN 74 -3.202 0.369 -3.377 506 HE21 GLN 74 HE21 GLN 74 -5.891 0.607 -4.388 507 HE22 GLN 74 HE22 GLN 74 -5.865 -0.060 -5.986 508 H VAL 75 HN VAL 75 -5.281 4.309 -5.338 509 HA VAL 75 HA VAL 75 -3.580 3.862 -7.501 510 HB VAL 75 HB VAL 75 -5.664 6.047 -7.396 511 HG11 VAL 75 HG11 VAL 75 -5.855 5.629 -9.788 512 HG12 VAL 75 HG12 VAL 75 -4.619 4.376 -9.672 513 HG13 VAL 75 HG13 VAL 75 -4.201 6.061 -9.352 514 HG21 VAL 75 HG21 VAL 75 -6.145 3.188 -8.207 515 HG22 VAL 75 HG22 VAL 75 -7.340 4.485 -8.030 516 HG23 VAL 75 HG23 VAL 75 -6.529 3.822 -6.608 517 H GLU 76 HN GLU 76 -4.318 6.957 -5.889 518 HA GLU 76 HA GLU 76 -2.374 8.469 -7.267 519 HB2 GLU 76 HB2 GLU 76 -2.684 10.128 -5.426 520 HB3 GLU 76 HB1 GLU 76 -4.183 9.601 -6.170 521 HG2 GLU 76 HG2 GLU 76 -4.566 8.069 -4.306 522 HG3 GLU 76 HG1 GLU 76 -3.075 8.630 -3.551 523 H GLY 77 HN GLY 77 -2.253 6.502 -4.401 524 HA2 GLY 77 HA2 GLY 77 0.173 7.390 -3.317 525 HA3 GLY 77 HA1 GLY 77 -0.508 5.781 -3.113 526 H LEU 78 HN LEU 78 -0.523 5.039 -5.851 527 HA LEU 78 HA LEU 78 1.903 3.717 -5.949 528 HB2 LEU 78 HB2 LEU 78 0.108 4.370 -8.282 529 HB3 LEU 78 HB1 LEU 78 1.325 3.110 -8.248 530 HG LEU 78 HG LEU 78 -1.205 3.201 -6.606 531 HD11 LEU 78 HD11 LEU 78 -1.563 2.631 -8.945 532 HD12 LEU 78 HD12 LEU 78 -1.820 1.229 -7.908 533 HD13 LEU 78 HD13 LEU 78 -0.330 1.375 -8.839 534 HD21 LEU 78 HD21 LEU 78 -0.554 0.975 -5.818 535 HD22 LEU 78 HD22 LEU 78 0.598 2.212 -5.310 536 HD23 LEU 78 HD23 LEU 78 0.992 1.137 -6.652 537 H ARG 79 HN ARG 79 1.126 6.870 -7.156 538 HA ARG 79 HA ARG 79 3.450 7.084 -8.825 539 HB2 ARG 79 HB2 ARG 79 1.480 9.130 -7.806 540 HB3 ARG 79 HB1 ARG 79 2.821 9.525 -8.872 541 HG2 ARG 79 HG2 ARG 79 1.927 8.067 -10.588 542 HG3 ARG 79 HG1 ARG 79 0.620 7.574 -9.512 543 HD2 ARG 79 HD2 ARG 79 1.063 10.447 -10.259 544 HD3 ARG 79 HD1 ARG 79 0.104 9.363 -11.264 545 HE ARG 79 HE ARG 79 -1.232 9.006 -9.114 546 HH11 ARG 79 HH11 ARG 79 0.365 12.019 -9.922 547 HH12 ARG 79 HH12 ARG 79 -0.806 13.001 -9.099 548 HH21 ARG 79 HH21 ARG 79 -2.771 10.305 -8.035 549 HH22 ARG 79 HH22 ARG 79 -2.583 12.030 -8.022 550 H ARG 80 HN ARG 80 2.515 8.520 -5.700 551 HA ARG 80 HA ARG 80 5.045 9.781 -5.367 552 HB2 ARG 80 HB2 ARG 80 4.225 10.362 -3.127 553 HB3 ARG 80 HB1 ARG 80 3.078 10.763 -4.394 554 HG2 ARG 80 HG2 ARG 80 1.953 8.547 -3.843 555 HG3 ARG 80 HG1 ARG 80 2.941 8.552 -2.379 556 HD2 ARG 80 HD2 ARG 80 0.779 9.517 -1.903 557 HD3 ARG 80 HD1 ARG 80 2.023 10.760 -1.805 558 HE ARG 80 HE ARG 80 1.208 11.064 -4.319 559 HH11 ARG 80 HH11 ARG 80 -0.631 10.728 -1.364 560 HH12 ARG 80 HH12 ARG 80 -1.982 11.643 -1.952 561 HH21 ARG 80 HH21 ARG 80 -0.544 12.287 -5.088 562 HH22 ARG 80 HH22 ARG 80 -1.924 12.551 -4.070 563 H LEU 81 HN LEU 81 3.702 6.717 -4.301 564 HA LEU 81 HA LEU 81 5.372 6.107 -2.173 565 HB2 LEU 81 HB2 LEU 81 4.316 4.215 -4.271 566 HB3 LEU 81 HB1 LEU 81 5.006 3.725 -2.740 567 HG LEU 81 HG LEU 81 2.467 5.316 -3.104 568 HD11 LEU 81 HD11 LEU 81 1.390 3.293 -2.230 569 HD12 LEU 81 HD12 LEU 81 2.948 2.466 -2.278 570 HD13 LEU 81 HD13 LEU 81 2.197 3.021 -3.774 571 HD21 LEU 81 HD21 LEU 81 3.590 5.961 -1.052 572 HD22 LEU 81 HD22 LEU 81 3.778 4.267 -0.599 573 HD23 LEU 81 HD23 LEU 81 2.168 4.983 -0.689 574 H ARG 82 HN ARG 82 6.072 6.106 -5.566 575 HA ARG 82 HA ARG 82 8.343 4.440 -5.554 576 HB2 ARG 82 HB2 ARG 82 7.733 6.762 -7.390 577 HB3 ARG 82 HB1 ARG 82 8.863 5.453 -7.710 578 HG2 ARG 82 HG2 ARG 82 7.070 3.860 -7.808 579 HG3 ARG 82 HG1 ARG 82 5.901 5.084 -7.321 580 HD2 ARG 82 HD2 ARG 82 6.487 6.359 -9.383 581 HD3 ARG 82 HD1 ARG 82 7.492 4.998 -9.879 582 HE ARG 82 HE ARG 82 5.245 3.716 -9.604 583 HH11 ARG 82 HH11 ARG 82 5.668 6.939 -10.902 584 HH12 ARG 82 HH12 ARG 82 4.259 6.856 -11.908 585 HH21 ARG 82 HH21 ARG 82 3.393 3.605 -10.923 586 HH22 ARG 82 HH22 ARG 82 2.972 4.952 -11.934 587 H GLU 83 HN GLU 83 7.853 7.779 -4.704 588 HA GLU 83 HA GLU 83 10.448 8.756 -5.115 589 HB2 GLU 83 HB2 GLU 83 8.324 9.683 -3.186 590 HB3 GLU 83 HB1 GLU 83 9.775 10.591 -3.589 591 HG2 GLU 83 HG2 GLU 83 9.064 10.676 -5.929 592 HG3 GLU 83 HG1 GLU 83 7.604 9.780 -5.510 593 H ILE 84 HN ILE 84 9.013 7.285 -2.205 594 HA ILE 84 HA ILE 84 11.415 7.705 -0.668 595 HB ILE 84 HB ILE 84 8.736 6.830 -0.086 596 HG12 ILE 84 HG12 ILE 84 10.010 7.123 2.333 597 HG13 ILE 84 HG11 ILE 84 10.997 8.106 1.256 598 HG21 ILE 84 HG21 ILE 84 9.115 5.109 1.572 599 HG22 ILE 84 HG22 ILE 84 10.837 5.076 1.177 600 HG23 ILE 84 HG23 ILE 84 9.649 4.554 -0.019 601 HD11 ILE 84 HD11 ILE 84 8.984 9.326 0.569 602 HD12 ILE 84 HD12 ILE 84 9.292 9.444 2.300 603 HD13 ILE 84 HD13 ILE 84 8.031 8.362 1.700 604 H LEU 85 HN LEU 85 10.162 5.261 -2.762 605 HA LEU 85 HA LEU 85 11.823 3.173 -1.700 606 HB2 LEU 85 HB2 LEU 85 10.092 3.263 -4.167 607 HB3 LEU 85 HB1 LEU 85 10.907 1.827 -3.561 608 HG LEU 85 HG LEU 85 8.735 3.367 -2.121 609 HD11 LEU 85 HD11 LEU 85 8.724 0.642 -3.411 610 HD12 LEU 85 HD12 LEU 85 7.935 2.088 -4.043 611 HD13 LEU 85 HD13 LEU 85 7.389 1.381 -2.523 612 HD21 LEU 85 HD21 LEU 85 8.815 1.544 -0.501 613 HD22 LEU 85 HD22 LEU 85 10.351 2.407 -0.568 614 HD23 LEU 85 HD23 LEU 85 10.187 0.837 -1.353 615 H GLN 86 HN GLN 86 11.702 5.012 -4.746 616 HA GLN 86 HA GLN 86 13.891 3.738 -5.955 617 HB2 GLN 86 HB2 GLN 86 13.903 5.569 -7.532 618 HB3 GLN 86 HB1 GLN 86 12.240 5.141 -7.164 619 HG2 GLN 86 HG2 GLN 86 12.125 7.037 -5.598 620 HG3 GLN 86 HG1 GLN 86 13.770 7.479 -6.048 621 HE21 GLN 86 HE21 GLN 86 13.169 9.473 -6.835 622 HE22 GLN 86 HE22 GLN 86 12.292 9.663 -8.315 623 H THR 87 HN THR 87 13.724 6.299 -3.613 624 HA THR 87 HA THR 87 16.404 7.209 -4.040 625 HB THR 87 HB THR 87 14.428 8.562 -3.071 626 HG1 THR 87 HG1 THR 87 16.095 9.555 -1.494 627 HG21 THR 87 HG21 THR 87 15.429 7.328 -0.508 628 HG22 THR 87 HG22 THR 87 13.890 6.932 -1.274 629 HG23 THR 87 HG23 THR 87 14.183 8.565 -0.675 630 H GLN 88 HN GLN 88 15.009 4.568 -2.455 631 HA GLN 88 HA GLN 88 17.404 4.206 -0.784 632 HB2 GLN 88 HB2 GLN 88 14.565 3.322 -0.260 633 HB3 GLN 88 HB1 GLN 88 15.947 2.837 0.710 634 HG2 GLN 88 HG2 GLN 88 16.371 5.160 1.298 635 HG3 GLN 88 HG1 GLN 88 15.021 5.665 0.290 636 HE21 GLN 88 HE21 GLN 88 12.920 5.250 0.969 637 HE22 GLN 88 HE22 GLN 88 12.554 4.895 2.622 638 H GLY 89 HN GLY 89 16.377 3.254 -3.611 639 HA2 GLY 89 HA2 GLY 89 17.111 1.489 -4.914 640 HA3 GLY 89 HA1 GLY 89 17.805 0.760 -3.477 641 H LEU 90 HN LEU 90 14.470 1.686 -3.538 642 HA LEU 90 HA LEU 90 13.675 -1.151 -3.530 643 HB2 LEU 90 HB2 LEU 90 12.204 1.140 -2.257 644 HB3 LEU 90 HB1 LEU 90 11.999 -0.573 -1.957 645 HG LEU 90 HG LEU 90 14.533 0.902 -1.258 646 HD11 LEU 90 HD11 LEU 90 13.747 1.104 0.988 647 HD12 LEU 90 HD12 LEU 90 12.241 0.276 0.589 648 HD13 LEU 90 HD13 LEU 90 12.576 1.874 -0.084 649 HD21 LEU 90 HD21 LEU 90 14.925 -0.999 0.184 650 HD22 LEU 90 HD22 LEU 90 14.685 -1.528 -1.480 651 HD23 LEU 90 HD23 LEU 90 13.387 -1.711 -0.300 652 H ASN 91 HN ASN 91 11.588 -1.594 -4.471 653 HA ASN 91 HA ASN 91 10.719 0.440 -6.422 654 HB2 ASN 91 HB2 ASN 91 11.980 -1.679 -7.317 655 HB3 ASN 91 HB1 ASN 91 10.454 -2.488 -6.976 656 HD21 ASN 91 HD21 ASN 91 11.582 -2.276 -9.511 657 HD22 ASN 91 HD22 ASN 91 10.508 -1.335 -10.496 658 H ILE 92 HN ILE 92 8.607 0.758 -6.621 659 HA ILE 92 HA ILE 92 6.797 -0.311 -4.685 660 HB ILE 92 HB ILE 92 6.644 1.990 -5.589 661 HG12 ILE 92 HG12 ILE 92 4.301 0.122 -5.912 662 HG13 ILE 92 HG11 ILE 92 4.691 1.140 -4.535 663 HG21 ILE 92 HG21 ILE 92 5.744 0.618 -8.116 664 HG22 ILE 92 HG22 ILE 92 7.284 1.442 -7.889 665 HG23 ILE 92 HG23 ILE 92 5.774 2.360 -7.831 666 HD11 ILE 92 HD11 ILE 92 4.214 3.122 -5.895 667 HD12 ILE 92 HD12 ILE 92 2.827 2.047 -5.734 668 HD13 ILE 92 HD13 ILE 92 3.757 2.069 -7.231 669 H GLU 93 HN GLU 93 7.724 -1.090 -7.924 670 HA GLU 93 HA GLU 93 5.386 -2.395 -8.801 671 HB2 GLU 93 HB2 GLU 93 8.252 -2.844 -9.644 672 HB3 GLU 93 HB1 GLU 93 6.837 -3.419 -10.513 673 HG2 GLU 93 HG2 GLU 93 6.132 -1.117 -10.900 674 HG3 GLU 93 HG1 GLU 93 7.542 -0.535 -10.014 675 H ALA 94 HN ALA 94 7.422 -3.245 -6.333 676 HA ALA 94 HA ALA 94 7.383 -6.114 -6.800 677 HB1 ALA 94 HB1 ALA 94 8.493 -4.514 -4.494 678 HB2 ALA 94 HB2 ALA 94 9.405 -5.064 -5.899 679 HB3 ALA 94 HB3 ALA 94 8.733 -6.240 -4.765 680 H LEU 95 HN LEU 95 5.448 -3.752 -5.401 681 HA LEU 95 HA LEU 95 4.321 -5.280 -3.250 682 HB2 LEU 95 HB2 LEU 95 3.569 -2.730 -4.649 683 HB3 LEU 95 HB1 LEU 95 2.533 -3.446 -3.429 684 HG LEU 95 HG LEU 95 3.914 -1.669 -2.498 685 HD11 LEU 95 HD11 LEU 95 4.720 -4.397 -1.519 686 HD12 LEU 95 HD12 LEU 95 3.240 -3.544 -1.088 687 HD13 LEU 95 HD13 LEU 95 4.807 -2.897 -0.600 688 HD21 LEU 95 HD21 LEU 95 6.255 -3.382 -3.291 689 HD22 LEU 95 HD22 LEU 95 6.338 -1.964 -2.248 690 HD23 LEU 95 HD23 LEU 95 5.850 -1.792 -3.934 691 H PHE 96 HN PHE 96 3.376 -4.433 -6.530 692 HA PHE 96 HA PHE 96 1.086 -6.230 -6.356 693 HB2 PHE 96 HB2 PHE 96 1.071 -5.193 -8.898 694 HB3 PHE 96 HB1 PHE 96 0.133 -4.592 -7.534 695 HD1 PHE 96 HD1 PHE 96 1.089 -2.728 -6.155 696 HD2 PHE 96 HD2 PHE 96 2.715 -3.881 -9.913 697 HE1 PHE 96 HE1 PHE 96 2.196 -0.538 -6.344 698 HE2 PHE 96 HE2 PHE 96 3.828 -1.696 -10.108 699 HZ PHE 96 HZ PHE 96 3.569 -0.021 -8.322 700 H ARG 97 HN ARG 97 4.085 -6.837 -6.733 701 HA ARG 97 HA ARG 97 4.063 -8.244 -9.266 702 HB2 ARG 97 HB2 ARG 97 6.092 -7.081 -8.451 703 HB3 ARG 97 HB1 ARG 97 6.136 -8.164 -7.074 704 HG2 ARG 97 HG2 ARG 97 7.728 -9.010 -8.565 705 HG3 ARG 97 HG1 ARG 97 6.319 -10.054 -8.767 706 HD2 ARG 97 HD2 ARG 97 6.868 -7.684 -10.537 707 HD3 ARG 97 HD1 ARG 97 7.470 -9.300 -10.892 708 HE ARG 97 HE ARG 97 4.943 -9.878 -10.706 709 HH11 ARG 97 HH11 ARG 97 6.317 -6.974 -12.103 710 HH12 ARG 97 HH12 ARG 97 5.037 -6.772 -13.253 711 HH21 ARG 97 HH21 ARG 97 3.266 -9.622 -12.233 712 HH22 ARG 97 HH22 ARG 97 3.307 -8.283 -13.335 713 H GLU 98 HN GLU 98 2.243 -9.578 -8.667 714 HA GLU 98 HA GLU 98 2.805 -11.618 -6.636 715 HB2 GLU 98 HB2 GLU 98 0.182 -10.893 -7.956 716 HB3 GLU 98 HB1 GLU 98 0.400 -12.049 -6.650 717 HG2 GLU 98 HG2 GLU 98 1.209 -10.197 -5.213 718 HG3 GLU 98 HG1 GLU 98 0.822 -9.073 -6.517 Start of MODEL 9 1 H1 GLY 13 HT1 GLY 13 17.308 -1.640 3.765 2 H2 GLY 13 HT2 GLY 13 18.272 -2.685 4.695 3 H3 GLY 13 HT3 GLY 13 18.723 -2.305 3.109 4 HA2 GLY 13 HA1 GLY 13 20.054 -1.096 4.748 5 HA3 GLY 13 HA2 GLY 13 19.146 -0.035 3.682 6 HA PRO 14 HA PRO 14 17.549 2.167 7.190 7 HB2 PRO 14 HB2 PRO 14 15.032 2.709 6.177 8 HB3 PRO 14 HB1 PRO 14 16.487 3.646 5.821 9 HG2 PRO 14 HG2 PRO 14 15.253 1.399 4.243 10 HG3 PRO 14 HG1 PRO 14 15.851 2.973 3.663 11 HD2 PRO 14 HD2 PRO 14 17.346 0.827 3.369 12 HD3 PRO 14 HD1 PRO 14 18.101 2.331 3.947 13 H GLU 15 HN GLU 15 14.373 1.166 6.268 14 HA GLU 15 HA GLU 15 14.372 -0.828 8.445 15 HB2 GLU 15 HB2 GLU 15 12.037 -0.336 8.833 16 HB3 GLU 15 HB1 GLU 15 12.956 1.157 8.903 17 HG2 GLU 15 HG2 GLU 15 11.518 0.297 6.416 18 HG3 GLU 15 HG1 GLU 15 10.718 1.205 7.699 19 H ASP 16 HN ASP 16 14.023 -0.224 5.174 20 HA ASP 16 HA ASP 16 12.073 -1.944 4.273 21 HB2 ASP 16 HB2 ASP 16 13.372 -1.975 2.181 22 HB3 ASP 16 HB1 ASP 16 13.129 -0.356 2.802 23 H THR 17 HN THR 17 15.512 -2.623 4.093 24 HA THR 17 HA THR 17 16.711 -4.486 3.859 25 HB THR 17 HB THR 17 16.446 -6.193 5.525 26 HG1 THR 17 HG1 THR 17 13.908 -5.014 5.881 27 HG21 THR 17 HG21 THR 17 17.542 -4.128 6.154 28 HG22 THR 17 HG22 THR 17 16.644 -4.782 7.523 29 HG23 THR 17 HG23 THR 17 15.989 -3.426 6.605 30 H THR 18 HN THR 18 13.509 -6.024 4.354 31 HA THR 18 HA THR 18 14.172 -8.020 2.391 32 HB THR 18 HB THR 18 11.496 -7.637 3.725 33 HG1 THR 18 HG1 THR 18 12.328 -8.389 5.541 34 HG21 THR 18 HG21 THR 18 12.945 -10.084 2.700 35 HG22 THR 18 HG22 THR 18 11.585 -9.284 1.914 36 HG23 THR 18 HG23 THR 18 11.361 -10.078 3.473 37 H GLN 19 HN GLN 19 13.598 -8.061 0.317 38 HA GLN 19 HA GLN 19 11.603 -6.106 -0.610 39 HB2 GLN 19 HB2 GLN 19 14.188 -6.974 -1.884 40 HB3 GLN 19 HB1 GLN 19 12.919 -6.156 -2.784 41 HG2 GLN 19 HG2 GLN 19 13.107 -4.200 -1.443 42 HG3 GLN 19 HG1 GLN 19 14.175 -5.019 -0.300 43 HE21 GLN 19 HE21 GLN 19 13.914 -3.588 -3.463 44 HE22 GLN 19 HE22 GLN 19 15.611 -3.472 -3.772 45 H ASP 20 HN ASP 20 10.122 -7.857 -0.193 46 HA ASP 20 HA ASP 20 9.809 -9.559 -2.560 47 HB2 ASP 20 HB2 ASP 20 10.944 -10.827 -0.616 48 HB3 ASP 20 HB1 ASP 20 9.408 -10.673 0.225 49 H ASP 21 HN ASP 21 7.437 -10.868 -1.117 50 HA ASP 21 HA ASP 21 5.549 -8.738 -1.430 51 HB2 ASP 21 HB2 ASP 21 3.873 -10.268 -0.906 52 HB3 ASP 21 HB1 ASP 21 5.126 -11.318 -1.549 53 H ASP 22 HN ASP 22 7.509 -9.963 1.090 54 HA ASP 22 HA ASP 22 6.386 -8.716 3.347 55 HB2 ASP 22 HB2 ASP 22 8.241 -10.467 3.265 56 HB3 ASP 22 HB1 ASP 22 9.339 -9.150 2.873 57 H MET 23 HN MET 23 8.034 -7.433 0.616 58 HA MET 23 HA MET 23 9.253 -5.142 1.624 59 HB2 MET 23 HB2 MET 23 9.561 -5.810 -0.686 60 HB3 MET 23 HB1 MET 23 7.862 -5.521 -1.030 61 HG2 MET 23 HG2 MET 23 8.249 -3.116 -0.448 62 HG3 MET 23 HG1 MET 23 9.972 -3.481 -0.369 63 HE1 MET 23 HE1 MET 23 11.423 -4.214 -2.469 64 HE2 MET 23 HE2 MET 23 10.732 -4.542 -4.059 65 HE3 MET 23 HE3 MET 23 10.330 -5.579 -2.689 66 H LYS 24 HN LYS 24 5.919 -5.914 1.436 67 HA LYS 24 HA LYS 24 4.771 -3.389 1.325 68 HB2 LYS 24 HB2 LYS 24 3.499 -5.515 1.259 69 HB3 LYS 24 HB1 LYS 24 3.832 -5.743 2.972 70 HG2 LYS 24 HG2 LYS 24 1.584 -4.830 2.528 71 HG3 LYS 24 HG1 LYS 24 2.578 -3.767 3.529 72 HD2 LYS 24 HD2 LYS 24 3.175 -2.496 1.477 73 HD3 LYS 24 HD1 LYS 24 2.030 -3.491 0.578 74 HE2 LYS 24 HE2 LYS 24 1.141 -1.298 1.290 75 HE3 LYS 24 HE1 LYS 24 0.213 -2.676 1.874 76 HZ1 LYS 24 HZ1 LYS 24 0.564 -0.986 3.588 77 HZ2 LYS 24 HZ2 LYS 24 2.239 -1.194 3.460 78 HZ3 LYS 24 HZ3 LYS 24 1.268 -2.463 4.015 79 H GLN 25 HN GLN 25 6.530 -4.985 3.839 80 HA GLN 25 HA GLN 25 5.867 -3.333 6.020 81 HB2 GLN 25 HB2 GLN 25 6.998 -5.283 6.585 82 HB3 GLN 25 HB1 GLN 25 8.184 -5.084 5.304 83 HG2 GLN 25 HG2 GLN 25 8.365 -2.915 7.178 84 HG3 GLN 25 HG1 GLN 25 8.480 -4.470 8.006 85 HE21 GLN 25 HE21 GLN 25 9.879 -2.427 5.551 86 HE22 GLN 25 HE22 GLN 25 11.402 -3.242 5.461 87 H SER 26 HN SER 26 8.391 -3.064 3.519 88 HA SER 26 HA SER 26 9.602 -0.723 4.376 89 HB2 SER 26 HB2 SER 26 9.090 -1.535 1.508 90 HB3 SER 26 HB1 SER 26 10.423 -0.563 2.123 91 HG SER 26 HG SER 26 11.334 -2.498 2.040 92 H ILE 27 HN ILE 27 6.550 -1.258 2.745 93 HA ILE 27 HA ILE 27 6.169 1.539 2.120 94 HB ILE 27 HB ILE 27 3.945 -0.471 2.127 95 HG12 ILE 27 HG12 ILE 27 5.798 -1.567 0.944 96 HG13 ILE 27 HG11 ILE 27 4.521 -1.087 -0.175 97 HG21 ILE 27 HG21 ILE 27 3.245 0.922 0.171 98 HG22 ILE 27 HG22 ILE 27 4.594 1.997 0.528 99 HG23 ILE 27 HG23 ILE 27 3.299 1.784 1.706 100 HD11 ILE 27 HD11 ILE 27 7.135 0.331 0.268 101 HD12 ILE 27 HD12 ILE 27 5.852 0.872 -0.814 102 HD13 ILE 27 HD13 ILE 27 6.690 -0.649 -1.130 103 H VAL 28 HN VAL 28 5.718 -0.443 4.844 104 HA VAL 28 HA VAL 28 3.467 0.851 5.980 105 HB VAL 28 HB VAL 28 5.697 -0.694 7.315 106 HG11 VAL 28 HG11 VAL 28 4.216 -0.856 9.256 107 HG12 VAL 28 HG12 VAL 28 3.048 0.198 8.458 108 HG13 VAL 28 HG13 VAL 28 4.635 0.823 8.913 109 HG21 VAL 28 HG21 VAL 28 4.023 -2.496 7.409 110 HG22 VAL 28 HG22 VAL 28 4.372 -2.012 5.750 111 HG23 VAL 28 HG23 VAL 28 2.887 -1.473 6.531 112 H LYS 29 HN LYS 29 6.893 1.557 5.904 113 HA LYS 29 HA LYS 29 6.914 3.560 7.890 114 HB2 LYS 29 HB2 LYS 29 9.071 4.074 7.144 115 HB3 LYS 29 HB1 LYS 29 8.895 2.384 6.694 116 HG2 LYS 29 HG2 LYS 29 9.727 3.130 4.738 117 HG3 LYS 29 HG1 LYS 29 8.036 3.527 4.429 118 HD2 LYS 29 HD2 LYS 29 9.118 5.504 3.885 119 HD3 LYS 29 HD1 LYS 29 8.630 5.793 5.553 120 HE2 LYS 29 HE2 LYS 29 10.899 4.960 6.240 121 HE3 LYS 29 HE1 LYS 29 11.339 4.992 4.533 122 HZ1 LYS 29 HZ1 LYS 29 10.393 7.350 6.067 123 HZ2 LYS 29 HZ2 LYS 29 10.964 7.346 4.474 124 HZ3 LYS 29 HZ3 LYS 29 12.016 7.000 5.750 125 H TRP 30 HN TRP 30 5.871 3.467 4.590 126 HA TRP 30 HA TRP 30 5.858 6.211 3.966 127 HB2 TRP 30 HB2 TRP 30 4.853 3.754 2.820 128 HB3 TRP 30 HB1 TRP 30 3.706 5.067 2.593 129 HD1 TRP 30 HD1 TRP 30 6.736 3.558 1.114 130 HE1 TRP 30 HE1 TRP 30 7.686 5.076 -0.717 131 HE3 TRP 30 HE3 TRP 30 4.076 7.806 2.114 132 HZ2 TRP 30 HZ2 TRP 30 7.371 7.726 -1.616 133 HZ3 TRP 30 HZ3 TRP 30 4.462 9.788 0.714 134 HH2 TRP 30 HH2 TRP 30 6.076 9.750 -1.113 135 H LEU 31 HN LEU 31 3.800 4.272 5.955 136 HA LEU 31 HA LEU 31 1.447 5.827 5.851 137 HB2 LEU 31 HB2 LEU 31 0.663 4.203 7.175 138 HB3 LEU 31 HB1 LEU 31 2.256 3.480 7.102 139 HG LEU 31 HG LEU 31 2.784 4.980 9.160 140 HD11 LEU 31 HD11 LEU 31 0.733 6.316 9.056 141 HD12 LEU 31 HD12 LEU 31 0.875 5.447 10.585 142 HD13 LEU 31 HD13 LEU 31 -0.224 4.861 9.336 143 HD21 LEU 31 HD21 LEU 31 2.076 3.231 10.643 144 HD22 LEU 31 HD22 LEU 31 2.629 2.512 9.131 145 HD23 LEU 31 HD23 LEU 31 0.904 2.652 9.464 146 H PHE 32 HN PHE 32 4.398 6.060 7.725 147 HA PHE 32 HA PHE 32 3.396 8.176 9.408 148 HB2 PHE 32 HB2 PHE 32 6.249 7.251 9.019 149 HB3 PHE 32 HB1 PHE 32 5.635 8.233 10.343 150 HD1 PHE 32 HD1 PHE 32 6.161 4.920 9.088 151 HD2 PHE 32 HD2 PHE 32 4.024 7.200 11.970 152 HE1 PHE 32 HE1 PHE 32 5.730 2.871 10.378 153 HE2 PHE 32 HE2 PHE 32 3.587 5.157 13.269 154 HZ PHE 32 HZ PHE 32 4.444 2.990 12.471 155 H GLU 33 HN GLU 33 4.138 8.103 6.254 156 HA GLU 33 HA GLU 33 5.472 10.719 6.255 157 HB2 GLU 33 HB2 GLU 33 6.621 8.933 4.996 158 HB3 GLU 33 HB1 GLU 33 5.185 8.729 3.998 159 HG2 GLU 33 HG2 GLU 33 6.935 10.047 2.892 160 HG3 GLU 33 HG1 GLU 33 5.430 10.941 3.096 161 H LEU 34 HN LEU 34 2.892 8.935 4.527 162 HA LEU 34 HA LEU 34 1.903 11.549 3.615 163 HB2 LEU 34 HB2 LEU 34 2.393 9.116 2.310 164 HB3 LEU 34 HB1 LEU 34 0.651 9.282 2.359 165 HG LEU 34 HG LEU 34 1.731 10.173 0.289 166 HD11 LEU 34 HD11 LEU 34 -0.482 10.933 0.999 167 HD12 LEU 34 HD12 LEU 34 0.426 12.234 0.228 168 HD13 LEU 34 HD13 LEU 34 0.265 12.191 1.984 169 HD21 LEU 34 HD21 LEU 34 2.615 12.526 1.894 170 HD22 LEU 34 HD22 LEU 34 3.161 11.978 0.308 171 HD23 LEU 34 HD23 LEU 34 3.667 11.119 1.766 172 H ASN 35 HN ASN 35 0.938 8.584 5.197 173 HA ASN 35 HA ASN 35 -0.914 9.411 6.931 174 HB2 ASN 35 HB2 ASN 35 -3.143 9.048 5.845 175 HB3 ASN 35 HB1 ASN 35 -2.307 10.481 5.264 176 HD21 ASN 35 HD21 ASN 35 -3.463 10.547 3.367 177 HD22 ASN 35 HD22 ASN 35 -3.219 9.411 2.085 178 H ALA 36 HN ALA 36 -2.540 7.633 7.523 179 HA ALA 36 HA ALA 36 -1.206 5.131 7.485 180 HB1 ALA 36 HB1 ALA 36 -2.649 5.796 9.335 181 HB2 ALA 36 HB2 ALA 36 -3.189 4.275 8.627 182 HB3 ALA 36 HB3 ALA 36 -4.048 5.769 8.261 183 H LYS 37 HN LYS 37 -3.597 6.617 5.485 184 HA LYS 37 HA LYS 37 -4.867 4.463 4.337 185 HB2 LYS 37 HB2 LYS 37 -4.207 7.202 3.320 186 HB3 LYS 37 HB1 LYS 37 -4.996 6.032 2.278 187 HG2 LYS 37 HG2 LYS 37 -6.604 7.516 3.311 188 HG3 LYS 37 HG1 LYS 37 -6.845 5.852 3.826 189 HD2 LYS 37 HD2 LYS 37 -5.738 6.331 5.932 190 HD3 LYS 37 HD1 LYS 37 -5.421 7.986 5.404 191 HE2 LYS 37 HE2 LYS 37 -8.184 6.824 5.563 192 HE3 LYS 37 HE1 LYS 37 -7.420 7.651 6.920 193 HZ1 LYS 37 HZ1 LYS 37 -7.242 9.640 5.597 194 HZ2 LYS 37 HZ2 LYS 37 -8.849 9.122 5.604 195 HZ3 LYS 37 HZ3 LYS 37 -7.883 8.856 4.244 196 H GLN 38 HN GLN 38 -1.896 6.087 3.133 197 HA GLN 38 HA GLN 38 -1.559 4.510 0.863 198 HB2 GLN 38 HB2 GLN 38 0.546 5.831 2.583 199 HB3 GLN 38 HB1 GLN 38 0.854 5.131 0.998 200 HG2 GLN 38 HG2 GLN 38 -1.037 7.403 1.552 201 HG3 GLN 38 HG1 GLN 38 0.594 7.556 0.900 202 HE21 GLN 38 HE21 GLN 38 -1.901 8.382 -0.311 203 HE22 GLN 38 HE22 GLN 38 -2.060 7.495 -1.787 204 H ARG 39 HN ARG 39 -0.625 3.869 4.185 205 HA ARG 39 HA ARG 39 0.815 1.482 3.745 206 HB2 ARG 39 HB2 ARG 39 0.859 2.615 5.896 207 HB3 ARG 39 HB1 ARG 39 -0.864 2.352 6.105 208 HG2 ARG 39 HG2 ARG 39 -0.085 -0.187 5.833 209 HG3 ARG 39 HG1 ARG 39 1.407 0.494 6.483 210 HD2 ARG 39 HD2 ARG 39 -0.089 1.556 8.276 211 HD3 ARG 39 HD1 ARG 39 -1.333 0.440 7.719 212 HE ARG 39 HE ARG 39 0.974 -1.044 8.240 213 HH11 ARG 39 HH11 ARG 39 -1.395 0.841 9.993 214 HH12 ARG 39 HH12 ARG 39 -1.227 -0.074 11.455 215 HH21 ARG 39 HH21 ARG 39 1.219 -2.233 10.189 216 HH22 ARG 39 HH22 ARG 39 0.265 -1.810 11.574 217 H GLU 40 HN GLU 40 -2.590 1.987 4.657 218 HA GLU 40 HA GLU 40 -3.067 -0.838 4.642 219 HB2 GLU 40 HB2 GLU 40 -5.390 -0.217 5.233 220 HB3 GLU 40 HB1 GLU 40 -4.173 0.477 6.291 221 HG2 GLU 40 HG2 GLU 40 -4.354 2.567 4.835 222 HG3 GLU 40 HG1 GLU 40 -5.828 1.841 4.198 223 H VAL 41 HN VAL 41 -3.840 1.767 2.352 224 HA VAL 41 HA VAL 41 -5.881 0.464 0.969 225 HB VAL 41 HB VAL 41 -5.384 1.970 -0.909 226 HG11 VAL 41 HG11 VAL 41 -5.265 3.444 1.700 227 HG12 VAL 41 HG12 VAL 41 -6.714 2.650 1.091 228 HG13 VAL 41 HG13 VAL 41 -5.993 3.978 0.184 229 HG21 VAL 41 HG21 VAL 41 -3.037 2.842 0.764 230 HG22 VAL 41 HG22 VAL 41 -3.611 3.657 -0.691 231 HG23 VAL 41 HG23 VAL 41 -2.957 2.021 -0.794 232 H LEU 42 HN LEU 42 -2.381 0.405 0.322 233 HA LEU 42 HA LEU 42 -2.502 -1.139 -2.022 234 HB2 LEU 42 HB2 LEU 42 -0.315 -1.292 0.039 235 HB3 LEU 42 HB1 LEU 42 -0.186 -1.613 -1.676 236 HG LEU 42 HG LEU 42 -0.637 1.091 -0.417 237 HD11 LEU 42 HD11 LEU 42 1.762 0.072 -1.903 238 HD12 LEU 42 HD12 LEU 42 1.617 -0.003 -0.151 239 HD13 LEU 42 HD13 LEU 42 1.609 1.560 -0.971 240 HD21 LEU 42 HD21 LEU 42 -0.297 1.959 -2.680 241 HD22 LEU 42 HD22 LEU 42 -1.718 0.919 -2.597 242 HD23 LEU 42 HD23 LEU 42 -0.219 0.310 -3.302 243 H ALA 43 HN ALA 43 -2.003 -2.038 1.349 244 HA ALA 43 HA ALA 43 -1.744 -4.800 0.959 245 HB1 ALA 43 HB1 ALA 43 -1.047 -3.658 3.003 246 HB2 ALA 43 HB2 ALA 43 -2.160 -4.978 3.360 247 HB3 ALA 43 HB3 ALA 43 -2.732 -3.307 3.392 248 H ARG 44 HN ARG 44 -4.563 -2.762 1.575 249 HA ARG 44 HA ARG 44 -6.473 -4.759 1.946 250 HB2 ARG 44 HB2 ARG 44 -6.573 -1.910 1.052 251 HB3 ARG 44 HB1 ARG 44 -8.011 -2.898 0.910 252 HG2 ARG 44 HG2 ARG 44 -6.483 -2.534 3.473 253 HG3 ARG 44 HG1 ARG 44 -7.879 -1.579 2.995 254 HD2 ARG 44 HD2 ARG 44 -9.350 -3.248 3.323 255 HD3 ARG 44 HD1 ARG 44 -8.188 -4.503 2.950 256 HE ARG 44 HE ARG 44 -7.928 -2.991 5.449 257 HH11 ARG 44 HH11 ARG 44 -8.576 -6.007 3.806 258 HH12 ARG 44 HH12 ARG 44 -8.409 -6.966 5.241 259 HH21 ARG 44 HH21 ARG 44 -7.714 -4.251 7.338 260 HH22 ARG 44 HH22 ARG 44 -7.913 -5.971 7.248 261 H ARG 45 HN ARG 45 -5.276 -3.289 -1.048 262 HA ARG 45 HA ARG 45 -7.218 -4.816 -2.563 263 HB2 ARG 45 HB2 ARG 45 -5.229 -2.697 -3.263 264 HB3 ARG 45 HB1 ARG 45 -5.981 -3.666 -4.525 265 HG2 ARG 45 HG2 ARG 45 -7.504 -2.095 -2.463 266 HG3 ARG 45 HG1 ARG 45 -7.118 -1.501 -4.080 267 HD2 ARG 45 HD2 ARG 45 -8.752 -3.975 -3.453 268 HD3 ARG 45 HD1 ARG 45 -9.393 -2.405 -3.944 269 HE ARG 45 HE ARG 45 -8.410 -2.711 -6.102 270 HH11 ARG 45 HH11 ARG 45 -8.478 -5.592 -4.102 271 HH12 ARG 45 HH12 ARG 45 -8.177 -6.666 -5.426 272 HH21 ARG 45 HH21 ARG 45 -8.032 -4.137 -7.837 273 HH22 ARG 45 HH22 ARG 45 -7.922 -5.844 -7.548 274 H PHE 46 HN PHE 46 -3.758 -4.909 -1.922 275 HA PHE 46 HA PHE 46 -3.426 -6.877 -4.035 276 HB2 PHE 46 HB2 PHE 46 -1.331 -5.786 -2.156 277 HB3 PHE 46 HB1 PHE 46 -1.040 -6.724 -3.613 278 HD1 PHE 46 HD1 PHE 46 -0.174 -3.844 -2.612 279 HD2 PHE 46 HD2 PHE 46 -2.993 -5.321 -5.434 280 HE1 PHE 46 HE1 PHE 46 0.015 -1.755 -3.874 281 HE2 PHE 46 HE2 PHE 46 -2.822 -3.224 -6.704 282 HZ PHE 46 HZ PHE 46 -1.317 -1.434 -5.925 283 H GLY 47 HN GLY 47 -3.904 -6.831 -0.649 284 HA2 GLY 47 HA2 GLY 47 -4.285 -8.663 0.741 285 HA3 GLY 47 HA1 GLY 47 -3.721 -9.722 -0.544 286 H LEU 48 HN LEU 48 -2.089 -6.966 0.928 287 HA LEU 48 HA LEU 48 0.216 -8.714 1.430 288 HB2 LEU 48 HB2 LEU 48 0.129 -5.706 1.256 289 HB3 LEU 48 HB1 LEU 48 1.565 -6.702 1.368 290 HG LEU 48 HG LEU 48 -0.353 -6.685 -0.950 291 HD11 LEU 48 HD11 LEU 48 1.452 -5.555 -2.158 292 HD12 LEU 48 HD12 LEU 48 2.392 -5.481 -0.669 293 HD13 LEU 48 HD13 LEU 48 0.872 -4.598 -0.795 294 HD21 LEU 48 HD21 LEU 48 2.299 -8.065 -0.565 295 HD22 LEU 48 HD22 LEU 48 1.405 -7.989 -2.084 296 HD23 LEU 48 HD23 LEU 48 0.721 -8.840 -0.698 297 H LEU 49 HN LEU 49 1.481 -8.364 3.334 298 HA LEU 49 HA LEU 49 1.805 -8.175 5.565 299 HB2 LEU 49 HB2 LEU 49 0.973 -5.685 4.665 300 HB3 LEU 49 HB1 LEU 49 -0.032 -5.982 6.069 301 HG LEU 49 HG LEU 49 1.901 -4.749 6.741 302 HD11 LEU 49 HD11 LEU 49 2.852 -6.223 8.439 303 HD12 LEU 49 HD12 LEU 49 2.160 -7.617 7.611 304 HD13 LEU 49 HD13 LEU 49 1.101 -6.403 8.327 305 HD21 LEU 49 HD21 LEU 49 4.176 -5.630 6.478 306 HD22 LEU 49 HD22 LEU 49 3.401 -5.300 4.930 307 HD23 LEU 49 HD23 LEU 49 3.534 -6.960 5.513 308 H GLY 50 HN GLY 50 -0.254 -9.913 4.678 309 HA2 GLY 50 HA2 GLY 50 -1.676 -11.350 5.797 310 HA3 GLY 50 HA1 GLY 50 -1.574 -10.304 7.204 311 H TYR 51 HN TYR 51 -2.341 -8.402 4.586 312 HA TYR 51 HA TYR 51 -5.081 -8.163 5.418 313 HB2 TYR 51 HB2 TYR 51 -3.449 -6.836 3.274 314 HB3 TYR 51 HB1 TYR 51 -5.183 -6.583 3.392 315 HD1 TYR 51 HD1 TYR 51 -5.503 -4.415 4.096 316 HD2 TYR 51 HD2 TYR 51 -2.558 -6.782 6.054 317 HE1 TYR 51 HE1 TYR 51 -5.138 -2.611 5.725 318 HE2 TYR 51 HE2 TYR 51 -2.183 -4.978 7.683 319 HH TYR 51 HH TYR 51 -4.285 -2.293 7.964 320 H GLU 52 HN GLU 52 -6.789 -8.057 3.644 321 HA GLU 52 HA GLU 52 -6.590 -10.518 2.059 322 HB2 GLU 52 HB2 GLU 52 -9.129 -10.385 2.107 323 HB3 GLU 52 HB1 GLU 52 -8.333 -10.765 3.627 324 HG2 GLU 52 HG2 GLU 52 -8.646 -8.531 4.422 325 HG3 GLU 52 HG1 GLU 52 -9.274 -7.998 2.860 326 H ALA 53 HN ALA 53 -6.445 -10.288 -0.066 327 HA ALA 53 HA ALA 53 -6.813 -7.802 -1.402 328 HB1 ALA 53 HB1 ALA 53 -5.238 -9.486 -2.219 329 HB2 ALA 53 HB2 ALA 53 -6.432 -9.081 -3.453 330 HB3 ALA 53 HB3 ALA 53 -6.577 -10.585 -2.546 331 H ALA 54 HN ALA 54 -8.818 -6.966 -1.404 332 HA ALA 54 HA ALA 54 -11.028 -8.720 -2.274 333 HB1 ALA 54 HB1 ALA 54 -11.172 -6.670 -0.077 334 HB2 ALA 54 HB2 ALA 54 -11.087 -8.416 0.163 335 HB3 ALA 54 HB3 ALA 54 -12.487 -7.701 -0.634 336 H THR 55 HN THR 55 -13.109 -6.983 -2.437 337 HA THR 55 HA THR 55 -12.245 -5.373 -4.682 338 HB THR 55 HB THR 55 -14.607 -5.030 -5.137 339 HG1 THR 55 HG1 THR 55 -15.249 -6.641 -2.877 340 HG21 THR 55 HG21 THR 55 -15.329 -7.368 -5.467 341 HG22 THR 55 HG22 THR 55 -14.000 -7.902 -4.440 342 HG23 THR 55 HG23 THR 55 -13.661 -7.099 -5.972 343 H LEU 56 HN LEU 56 -13.381 -3.157 -4.814 344 HA LEU 56 HA LEU 56 -12.246 -1.541 -2.853 345 HB2 LEU 56 HB2 LEU 56 -14.567 -0.865 -4.640 346 HB3 LEU 56 HB1 LEU 56 -13.460 0.275 -3.896 347 HG LEU 56 HG LEU 56 -12.925 -1.635 -6.151 348 HD11 LEU 56 HD11 LEU 56 -12.161 0.424 -7.266 349 HD12 LEU 56 HD12 LEU 56 -12.667 1.351 -5.852 350 HD13 LEU 56 HD13 LEU 56 -13.864 0.476 -6.811 351 HD21 LEU 56 HD21 LEU 56 -11.038 -1.913 -4.770 352 HD22 LEU 56 HD22 LEU 56 -10.963 -0.194 -4.392 353 HD23 LEU 56 HD23 LEU 56 -10.563 -0.760 -6.016 354 H GLU 57 HN GLU 57 -15.498 -2.729 -3.263 355 HA GLU 57 HA GLU 57 -16.780 -1.372 -1.188 356 HB2 GLU 57 HB2 GLU 57 -17.250 -3.957 -2.627 357 HB3 GLU 57 HB1 GLU 57 -18.294 -3.474 -1.305 358 HG2 GLU 57 HG2 GLU 57 -18.885 -1.436 -2.474 359 HG3 GLU 57 HG1 GLU 57 -17.758 -1.833 -3.769 360 H ASP 58 HN ASP 58 -15.258 -4.584 -1.203 361 HA ASP 58 HA ASP 58 -15.959 -5.168 1.490 362 HB2 ASP 58 HB2 ASP 58 -13.952 -6.408 -0.391 363 HB3 ASP 58 HB1 ASP 58 -14.280 -7.040 1.215 364 H VAL 59 HN VAL 59 -12.991 -4.002 -0.049 365 HA VAL 59 HA VAL 59 -11.399 -4.136 2.294 366 HB VAL 59 HB VAL 59 -9.845 -2.621 1.080 367 HG11 VAL 59 HG11 VAL 59 -9.230 -4.222 -0.601 368 HG12 VAL 59 HG12 VAL 59 -10.858 -4.895 -0.606 369 HG13 VAL 59 HG13 VAL 59 -9.829 -5.090 0.815 370 HG21 VAL 59 HG21 VAL 59 -10.331 -2.050 -1.248 371 HG22 VAL 59 HG22 VAL 59 -11.492 -1.308 -0.145 372 HG23 VAL 59 HG23 VAL 59 -11.945 -2.736 -1.072 373 H GLY 60 HN GLY 60 -13.330 -1.573 0.853 374 HA2 GLY 60 HA2 GLY 60 -12.553 0.548 2.507 375 HA3 GLY 60 HA1 GLY 60 -14.118 0.402 1.718 376 H ARG 61 HN ARG 61 -15.057 -1.904 2.922 377 HA ARG 61 HA ARG 61 -16.149 -0.908 5.302 378 HB2 ARG 61 HB2 ARG 61 -16.029 -3.730 4.237 379 HB3 ARG 61 HB1 ARG 61 -17.001 -3.238 5.618 380 HG2 ARG 61 HG2 ARG 61 -18.304 -1.760 4.203 381 HG3 ARG 61 HG1 ARG 61 -17.297 -2.182 2.814 382 HD2 ARG 61 HD2 ARG 61 -17.985 -4.526 3.050 383 HD3 ARG 61 HD1 ARG 61 -19.015 -4.079 4.408 384 HE ARG 61 HE ARG 61 -19.708 -2.542 2.149 385 HH11 ARG 61 HH11 ARG 61 -19.884 -5.801 3.392 386 HH12 ARG 61 HH12 ARG 61 -21.318 -6.210 2.506 387 HH21 ARG 61 HH21 ARG 61 -21.611 -3.078 0.958 388 HH22 ARG 61 HH22 ARG 61 -22.292 -4.667 1.117 389 H GLU 62 HN GLU 62 -13.380 -2.943 4.668 390 HA GLU 62 HA GLU 62 -12.956 -3.927 7.272 391 HB2 GLU 62 HB2 GLU 62 -11.015 -3.389 5.026 392 HB3 GLU 62 HB1 GLU 62 -10.591 -4.233 6.506 393 HG2 GLU 62 HG2 GLU 62 -12.630 -5.115 4.488 394 HG3 GLU 62 HG1 GLU 62 -11.010 -5.779 4.698 395 H ILE 63 HN ILE 63 -11.751 -1.040 5.623 396 HA ILE 63 HA ILE 63 -10.150 -0.379 7.972 397 HB ILE 63 HB ILE 63 -9.013 1.239 6.602 398 HG12 ILE 63 HG12 ILE 63 -10.898 0.497 4.355 399 HG13 ILE 63 HG11 ILE 63 -11.033 1.970 5.311 400 HG21 ILE 63 HG21 ILE 63 -8.061 -0.243 4.899 401 HG22 ILE 63 HG22 ILE 63 -9.418 -1.354 5.100 402 HG23 ILE 63 HG23 ILE 63 -8.292 -1.082 6.431 403 HD11 ILE 63 HD11 ILE 63 -9.932 2.393 3.193 404 HD12 ILE 63 HD12 ILE 63 -8.696 1.196 3.581 405 HD13 ILE 63 HD13 ILE 63 -8.828 2.672 4.539 406 H GLY 64 HN GLY 64 -13.164 0.311 6.701 407 HA2 GLY 64 HA2 GLY 64 -14.797 1.593 7.748 408 HA3 GLY 64 HA1 GLY 64 -13.543 2.381 8.690 409 H LEU 65 HN LEU 65 -13.193 2.170 5.270 410 HA LEU 65 HA LEU 65 -13.863 5.028 5.063 411 HB2 LEU 65 HB2 LEU 65 -11.526 3.489 4.035 412 HB3 LEU 65 HB1 LEU 65 -12.110 4.842 3.095 413 HG LEU 65 HG LEU 65 -10.289 5.613 4.421 414 HD11 LEU 65 HD11 LEU 65 -12.200 7.136 4.233 415 HD12 LEU 65 HD12 LEU 65 -11.293 7.376 5.723 416 HD13 LEU 65 HD13 LEU 65 -12.830 6.517 5.757 417 HD21 LEU 65 HD21 LEU 65 -11.723 4.489 6.820 418 HD22 LEU 65 HD22 LEU 65 -10.243 5.447 6.859 419 HD23 LEU 65 HD23 LEU 65 -10.244 3.857 6.096 420 H THR 66 HN THR 66 -13.963 5.550 2.525 421 HA THR 66 HA THR 66 -16.156 3.999 1.520 422 HB THR 66 HB THR 66 -14.872 5.887 -0.334 423 HG1 THR 66 HG1 THR 66 -16.093 6.961 2.006 424 HG21 THR 66 HG21 THR 66 -17.096 5.013 -0.731 425 HG22 THR 66 HG22 THR 66 -17.182 6.754 -0.459 426 HG23 THR 66 HG23 THR 66 -17.650 5.637 0.822 427 H ARG 67 HN ARG 67 -16.168 3.063 -0.685 428 HA ARG 67 HA ARG 67 -14.010 1.331 -1.150 429 HB2 ARG 67 HB2 ARG 67 -15.132 0.719 -3.210 430 HB3 ARG 67 HB1 ARG 67 -16.312 0.898 -1.928 431 HG2 ARG 67 HG2 ARG 67 -16.911 3.106 -2.792 432 HG3 ARG 67 HG1 ARG 67 -15.732 2.910 -4.088 433 HD2 ARG 67 HD2 ARG 67 -16.940 0.978 -4.924 434 HD3 ARG 67 HD1 ARG 67 -18.092 1.104 -3.596 435 HE ARG 67 HE ARG 67 -18.173 3.540 -4.863 436 HH11 ARG 67 HH11 ARG 67 -18.701 0.211 -5.830 437 HH12 ARG 67 HH12 ARG 67 -19.907 0.615 -7.006 438 HH21 ARG 67 HH21 ARG 67 -19.753 4.067 -6.422 439 HH22 ARG 67 HH22 ARG 67 -20.499 2.804 -7.347 440 H GLU 68 HN GLU 68 -14.748 4.528 -2.352 441 HA GLU 68 HA GLU 68 -12.864 4.846 -4.382 442 HB2 GLU 68 HB2 GLU 68 -14.460 6.583 -3.914 443 HB3 GLU 68 HB1 GLU 68 -13.866 6.749 -2.269 444 HG2 GLU 68 HG2 GLU 68 -11.766 7.647 -3.093 445 HG3 GLU 68 HG1 GLU 68 -12.339 7.470 -4.755 446 H ARG 69 HN ARG 69 -12.516 5.370 -0.912 447 HA ARG 69 HA ARG 69 -10.042 6.573 -0.891 448 HB2 ARG 69 HB2 ARG 69 -11.002 4.702 1.267 449 HB3 ARG 69 HB1 ARG 69 -9.946 6.095 1.442 450 HG2 ARG 69 HG2 ARG 69 -12.874 6.145 0.749 451 HG3 ARG 69 HG1 ARG 69 -12.149 6.588 2.291 452 HD2 ARG 69 HD2 ARG 69 -10.976 8.438 1.209 453 HD3 ARG 69 HD1 ARG 69 -11.694 7.988 -0.340 454 HE ARG 69 HE ARG 69 -13.864 8.317 1.203 455 HH11 ARG 69 HH11 ARG 69 -11.050 10.347 0.701 456 HH12 ARG 69 HH12 ARG 69 -11.909 11.822 0.999 457 HH21 ARG 69 HH21 ARG 69 -14.986 10.263 1.600 458 HH22 ARG 69 HH22 ARG 69 -14.141 11.775 1.522 459 H VAL 70 HN VAL 70 -10.755 3.097 -0.518 460 HA VAL 70 HA VAL 70 -8.062 2.333 -0.172 461 HB VAL 70 HB VAL 70 -10.240 0.594 -1.306 462 HG11 VAL 70 HG11 VAL 70 -8.910 -1.196 -0.243 463 HG12 VAL 70 HG12 VAL 70 -7.699 0.001 0.209 464 HG13 VAL 70 HG13 VAL 70 -8.014 -0.336 -1.493 465 HG21 VAL 70 HG21 VAL 70 -11.072 1.607 0.720 466 HG22 VAL 70 HG22 VAL 70 -9.569 1.238 1.564 467 HG23 VAL 70 HG23 VAL 70 -10.636 -0.069 1.057 468 H ARG 71 HN ARG 71 -10.138 2.302 -3.078 469 HA ARG 71 HA ARG 71 -8.090 1.346 -4.789 470 HB2 ARG 71 HB2 ARG 71 -10.375 1.127 -5.479 471 HB3 ARG 71 HB1 ARG 71 -10.634 2.854 -5.375 472 HG2 ARG 71 HG2 ARG 71 -10.450 2.289 -7.675 473 HG3 ARG 71 HG1 ARG 71 -8.964 3.128 -7.222 474 HD2 ARG 71 HD2 ARG 71 -7.876 0.909 -6.927 475 HD3 ARG 71 HD1 ARG 71 -9.344 0.155 -7.544 476 HE ARG 71 HE ARG 71 -8.434 2.098 -9.373 477 HH11 ARG 71 HH11 ARG 71 -7.679 -1.125 -8.222 478 HH12 ARG 71 HH12 ARG 71 -6.817 -1.570 -9.656 479 HH21 ARG 71 HH21 ARG 71 -7.322 1.504 -11.271 480 HH22 ARG 71 HH22 ARG 71 -6.628 -0.083 -11.401 481 H GLN 72 HN GLN 72 -9.407 4.632 -4.338 482 HA GLN 72 HA GLN 72 -7.745 5.603 -6.455 483 HB2 GLN 72 HB2 GLN 72 -9.638 7.023 -4.584 484 HB3 GLN 72 HB1 GLN 72 -8.828 7.783 -5.959 485 HG2 GLN 72 HG2 GLN 72 -9.892 5.993 -7.391 486 HG3 GLN 72 HG1 GLN 72 -10.868 5.588 -5.988 487 HE21 GLN 72 HE21 GLN 72 -12.783 6.168 -7.024 488 HE22 GLN 72 HE22 GLN 72 -13.201 7.817 -7.323 489 H ILE 73 HN ILE 73 -7.789 6.051 -2.931 490 HA ILE 73 HA ILE 73 -5.597 7.830 -2.875 491 HB ILE 73 HB ILE 73 -6.473 5.869 -0.751 492 HG12 ILE 73 HG12 ILE 73 -7.042 8.824 -1.082 493 HG13 ILE 73 HG11 ILE 73 -8.175 7.534 -1.477 494 HG21 ILE 73 HG21 ILE 73 -4.623 8.248 -0.585 495 HG22 ILE 73 HG22 ILE 73 -4.188 6.555 -0.345 496 HG23 ILE 73 HG23 ILE 73 -5.257 7.364 0.802 497 HD11 ILE 73 HD11 ILE 73 -7.115 8.266 1.236 498 HD12 ILE 73 HD12 ILE 73 -8.082 6.830 0.902 499 HD13 ILE 73 HD13 ILE 73 -8.767 8.433 0.637 500 H GLN 74 HN GLN 74 -5.797 4.334 -3.042 501 HA GLN 74 HA GLN 74 -3.011 3.821 -2.847 502 HB2 GLN 74 HB2 GLN 74 -4.425 1.957 -2.532 503 HB3 GLN 74 HB1 GLN 74 -5.351 2.312 -3.981 504 HG2 GLN 74 HG2 GLN 74 -2.587 1.804 -4.620 505 HG3 GLN 74 HG1 GLN 74 -3.292 0.475 -3.702 506 HE21 GLN 74 HE21 GLN 74 -5.972 0.983 -4.700 507 HE22 GLN 74 HE22 GLN 74 -5.992 0.420 -6.335 508 H VAL 75 HN VAL 75 -5.211 4.392 -5.555 509 HA VAL 75 HA VAL 75 -3.430 4.013 -7.665 510 HB VAL 75 HB VAL 75 -5.762 5.935 -7.526 511 HG11 VAL 75 HG11 VAL 75 -4.324 4.807 -9.925 512 HG12 VAL 75 HG12 VAL 75 -4.264 6.480 -9.371 513 HG13 VAL 75 HG13 VAL 75 -5.779 5.803 -9.971 514 HG21 VAL 75 HG21 VAL 75 -5.668 3.132 -8.649 515 HG22 VAL 75 HG22 VAL 75 -7.081 4.187 -8.534 516 HG23 VAL 75 HG23 VAL 75 -6.330 3.555 -7.068 517 H GLU 76 HN GLU 76 -4.211 7.016 -5.898 518 HA GLU 76 HA GLU 76 -2.348 8.612 -7.339 519 HB2 GLU 76 HB2 GLU 76 -2.706 10.290 -5.592 520 HB3 GLU 76 HB1 GLU 76 -4.234 9.615 -6.134 521 HG2 GLU 76 HG2 GLU 76 -4.285 8.170 -4.162 522 HG3 GLU 76 HG1 GLU 76 -2.769 8.878 -3.613 523 H GLY 77 HN GLY 77 -2.155 6.609 -4.475 524 HA2 GLY 77 HA2 GLY 77 0.309 7.541 -3.489 525 HA3 GLY 77 HA1 GLY 77 -0.404 5.970 -3.166 526 H LEU 78 HN LEU 78 -0.494 5.190 -5.964 527 HA LEU 78 HA LEU 78 1.858 3.741 -6.091 528 HB2 LEU 78 HB2 LEU 78 0.131 4.556 -8.424 529 HB3 LEU 78 HB1 LEU 78 1.263 3.218 -8.400 530 HG LEU 78 HG LEU 78 -1.266 3.438 -6.766 531 HD11 LEU 78 HD11 LEU 78 -0.534 1.629 -9.061 532 HD12 LEU 78 HD12 LEU 78 -1.647 2.996 -9.135 533 HD13 LEU 78 HD13 LEU 78 -2.039 1.592 -8.143 534 HD21 LEU 78 HD21 LEU 78 0.453 2.268 -5.514 535 HD22 LEU 78 HD22 LEU 78 0.780 1.228 -6.901 536 HD23 LEU 78 HD23 LEU 78 -0.777 1.136 -6.077 537 H ARG 79 HN ARG 79 1.264 6.961 -7.150 538 HA ARG 79 HA ARG 79 3.617 7.171 -8.790 539 HB2 ARG 79 HB2 ARG 79 1.856 9.331 -7.613 540 HB3 ARG 79 HB1 ARG 79 3.035 9.544 -8.901 541 HG2 ARG 79 HG2 ARG 79 1.759 8.118 -10.366 542 HG3 ARG 79 HG1 ARG 79 0.619 7.757 -9.069 543 HD2 ARG 79 HD2 ARG 79 -0.005 10.138 -8.993 544 HD3 ARG 79 HD1 ARG 79 1.097 10.452 -10.336 545 HE ARG 79 HE ARG 79 -0.608 8.433 -11.163 546 HH11 ARG 79 HH11 ARG 79 -0.898 11.773 -10.154 547 HH12 ARG 79 HH12 ARG 79 -2.286 12.085 -11.149 548 HH21 ARG 79 HH21 ARG 79 -2.418 8.840 -12.482 549 HH22 ARG 79 HH22 ARG 79 -3.153 10.412 -12.474 550 H ARG 80 HN ARG 80 2.653 8.414 -5.610 551 HA ARG 80 HA ARG 80 5.152 9.710 -5.167 552 HB2 ARG 80 HB2 ARG 80 4.272 10.173 -2.917 553 HB3 ARG 80 HB1 ARG 80 3.125 10.591 -4.179 554 HG2 ARG 80 HG2 ARG 80 2.172 8.215 -3.720 555 HG3 ARG 80 HG1 ARG 80 3.022 8.380 -2.183 556 HD2 ARG 80 HD2 ARG 80 0.679 9.111 -2.041 557 HD3 ARG 80 HD1 ARG 80 1.810 10.419 -1.700 558 HE ARG 80 HE ARG 80 1.371 10.756 -4.318 559 HH11 ARG 80 HH11 ARG 80 -0.844 10.288 -1.658 560 HH12 ARG 80 HH12 ARG 80 -2.139 11.162 -2.416 561 HH21 ARG 80 HH21 ARG 80 -0.299 11.934 -5.301 562 HH22 ARG 80 HH22 ARG 80 -1.811 12.130 -4.472 563 H LEU 81 HN LEU 81 3.808 6.604 -4.218 564 HA LEU 81 HA LEU 81 5.450 5.959 -2.078 565 HB2 LEU 81 HB2 LEU 81 4.359 4.133 -4.214 566 HB3 LEU 81 HB1 LEU 81 5.029 3.591 -2.689 567 HG LEU 81 HG LEU 81 2.577 5.328 -2.978 568 HD11 LEU 81 HD11 LEU 81 1.358 3.316 -2.269 569 HD12 LEU 81 HD12 LEU 81 2.853 2.388 -2.406 570 HD13 LEU 81 HD13 LEU 81 2.139 3.130 -3.838 571 HD21 LEU 81 HD21 LEU 81 3.728 5.717 -0.878 572 HD22 LEU 81 HD22 LEU 81 3.794 3.981 -0.570 573 HD23 LEU 81 HD23 LEU 81 2.239 4.813 -0.601 574 H ARG 82 HN ARG 82 6.168 5.998 -5.464 575 HA ARG 82 HA ARG 82 8.412 4.295 -5.468 576 HB2 ARG 82 HB2 ARG 82 7.877 6.621 -7.318 577 HB3 ARG 82 HB1 ARG 82 8.900 5.226 -7.640 578 HG2 ARG 82 HG2 ARG 82 6.915 3.775 -7.511 579 HG3 ARG 82 HG1 ARG 82 5.914 5.207 -7.281 580 HD2 ARG 82 HD2 ARG 82 6.749 6.063 -9.463 581 HD3 ARG 82 HD1 ARG 82 7.585 4.527 -9.695 582 HE ARG 82 HE ARG 82 4.688 4.540 -9.238 583 HH11 ARG 82 HH11 ARG 82 7.404 3.936 -11.376 584 HH12 ARG 82 HH12 ARG 82 6.455 3.054 -12.529 585 HH21 ARG 82 HH21 ARG 82 3.446 3.383 -10.768 586 HH22 ARG 82 HH22 ARG 82 4.212 2.738 -12.184 587 H GLU 83 HN GLU 83 7.990 7.648 -4.597 588 HA GLU 83 HA GLU 83 10.602 8.587 -4.969 589 HB2 GLU 83 HB2 GLU 83 8.647 9.442 -2.832 590 HB3 GLU 83 HB1 GLU 83 10.009 10.378 -3.436 591 HG2 GLU 83 HG2 GLU 83 8.956 10.452 -5.653 592 HG3 GLU 83 HG1 GLU 83 7.576 9.564 -5.009 593 H ILE 84 HN ILE 84 9.116 7.410 -1.915 594 HA ILE 84 HA ILE 84 11.518 7.424 -0.474 595 HB ILE 84 HB ILE 84 8.880 6.102 -0.091 596 HG12 ILE 84 HG12 ILE 84 10.382 8.383 1.160 597 HG13 ILE 84 HG11 ILE 84 8.889 8.438 0.228 598 HG21 ILE 84 HG21 ILE 84 11.168 5.964 1.865 599 HG22 ILE 84 HG22 ILE 84 10.592 4.611 0.891 600 HG23 ILE 84 HG23 ILE 84 9.529 5.344 2.097 601 HD11 ILE 84 HD11 ILE 84 9.240 7.205 2.914 602 HD12 ILE 84 HD12 ILE 84 7.752 7.249 1.966 603 HD13 ILE 84 HD13 ILE 84 8.466 8.748 2.562 604 H LEU 85 HN LEU 85 10.035 4.975 -2.550 605 HA LEU 85 HA LEU 85 11.676 2.869 -1.548 606 HB2 LEU 85 HB2 LEU 85 10.049 3.020 -4.083 607 HB3 LEU 85 HB1 LEU 85 10.770 1.561 -3.424 608 HG LEU 85 HG LEU 85 8.553 3.201 -2.185 609 HD11 LEU 85 HD11 LEU 85 8.624 0.375 -3.221 610 HD12 LEU 85 HD12 LEU 85 7.873 1.751 -4.029 611 HD13 LEU 85 HD13 LEU 85 7.239 1.180 -2.485 612 HD21 LEU 85 HD21 LEU 85 9.940 0.755 -1.098 613 HD22 LEU 85 HD22 LEU 85 8.529 1.549 -0.400 614 HD23 LEU 85 HD23 LEU 85 10.075 2.392 -0.455 615 H GLN 86 HN GLN 86 11.785 4.887 -4.508 616 HA GLN 86 HA GLN 86 14.159 3.749 -5.528 617 HB2 GLN 86 HB2 GLN 86 14.370 5.711 -6.908 618 HB3 GLN 86 HB1 GLN 86 12.667 5.293 -6.810 619 HG2 GLN 86 HG2 GLN 86 12.314 7.040 -5.159 620 HG3 GLN 86 HG1 GLN 86 14.028 7.446 -5.209 621 HE21 GLN 86 HE21 GLN 86 12.189 6.569 -8.044 622 HE22 GLN 86 HE22 GLN 86 12.204 8.137 -8.772 623 H THR 87 HN THR 87 13.530 6.056 -3.029 624 HA THR 87 HA THR 87 16.141 7.059 -2.668 625 HB THR 87 HB THR 87 13.537 7.209 -1.372 626 HG1 THR 87 HG1 THR 87 14.378 8.968 -2.455 627 HG21 THR 87 HG21 THR 87 14.367 7.970 0.829 628 HG22 THR 87 HG22 THR 87 15.964 7.350 0.406 629 HG23 THR 87 HG23 THR 87 14.597 6.247 0.550 630 H GLN 88 HN GLN 88 14.678 4.048 -1.945 631 HA GLN 88 HA GLN 88 16.825 3.388 -0.047 632 HB2 GLN 88 HB2 GLN 88 14.047 2.212 -0.186 633 HB3 GLN 88 HB1 GLN 88 15.283 1.802 0.999 634 HG2 GLN 88 HG2 GLN 88 15.261 4.141 1.777 635 HG3 GLN 88 HG1 GLN 88 13.965 4.478 0.638 636 HE21 GLN 88 HE21 GLN 88 14.024 4.734 3.511 637 HE22 GLN 88 HE22 GLN 88 12.754 3.734 4.121 638 H GLY 89 HN GLY 89 15.779 2.830 -3.138 639 HA2 GLY 89 HA2 GLY 89 16.804 1.405 -4.694 640 HA3 GLY 89 HA1 GLY 89 17.469 0.468 -3.364 641 H LEU 90 HN LEU 90 14.127 1.282 -3.363 642 HA LEU 90 HA LEU 90 13.444 -1.549 -3.811 643 HB2 LEU 90 HB2 LEU 90 11.728 0.446 -2.378 644 HB3 LEU 90 HB1 LEU 90 11.714 -1.299 -2.243 645 HG LEU 90 HG LEU 90 13.972 0.430 -1.249 646 HD11 LEU 90 HD11 LEU 90 13.030 0.200 0.954 647 HD12 LEU 90 HD12 LEU 90 11.675 -0.730 0.312 648 HD13 LEU 90 HD13 LEU 90 11.859 0.972 -0.116 649 HD21 LEU 90 HD21 LEU 90 14.522 -1.916 -1.698 650 HD22 LEU 90 HD22 LEU 90 13.206 -2.414 -0.635 651 HD23 LEU 90 HD23 LEU 90 14.585 -1.534 0.022 652 H ASN 91 HN ASN 91 11.293 -1.921 -4.795 653 HA ASN 91 HA ASN 91 10.453 0.305 -6.536 654 HB2 ASN 91 HB2 ASN 91 10.753 -2.625 -7.226 655 HB3 ASN 91 HB1 ASN 91 9.801 -1.516 -8.204 656 HD21 ASN 91 HD21 ASN 91 12.134 -3.040 -8.912 657 HD22 ASN 91 HD22 ASN 91 13.327 -1.901 -9.427 658 H ILE 92 HN ILE 92 8.364 0.747 -6.583 659 HA ILE 92 HA ILE 92 6.571 -0.412 -4.717 660 HB ILE 92 HB ILE 92 6.422 1.935 -5.537 661 HG12 ILE 92 HG12 ILE 92 4.054 0.096 -5.743 662 HG13 ILE 92 HG11 ILE 92 4.520 1.136 -4.403 663 HG21 ILE 92 HG21 ILE 92 6.880 1.568 -7.892 664 HG22 ILE 92 HG22 ILE 92 5.325 2.374 -7.695 665 HG23 ILE 92 HG23 ILE 92 5.385 0.651 -8.062 666 HD11 ILE 92 HD11 ILE 92 2.600 2.037 -5.498 667 HD12 ILE 92 HD12 ILE 92 3.423 2.005 -7.057 668 HD13 ILE 92 HD13 ILE 92 3.981 3.094 -5.788 669 H GLU 93 HN GLU 93 7.411 -1.151 -7.952 670 HA GLU 93 HA GLU 93 4.962 -2.260 -8.830 671 HB2 GLU 93 HB2 GLU 93 7.753 -2.775 -9.864 672 HB3 GLU 93 HB1 GLU 93 6.250 -3.093 -10.724 673 HG2 GLU 93 HG2 GLU 93 5.736 -0.679 -10.644 674 HG3 GLU 93 HG1 GLU 93 7.298 -0.401 -9.881 675 H ALA 94 HN ALA 94 7.140 -3.380 -6.577 676 HA ALA 94 HA ALA 94 6.836 -6.203 -7.136 677 HB1 ALA 94 HB1 ALA 94 8.903 -5.349 -6.141 678 HB2 ALA 94 HB2 ALA 94 8.119 -6.520 -5.080 679 HB3 ALA 94 HB3 ALA 94 7.999 -4.795 -4.732 680 H LEU 95 HN LEU 95 5.166 -3.749 -5.441 681 HA LEU 95 HA LEU 95 3.922 -5.296 -3.419 682 HB2 LEU 95 HB2 LEU 95 3.207 -2.684 -4.704 683 HB3 LEU 95 HB1 LEU 95 2.376 -3.354 -3.307 684 HG LEU 95 HG LEU 95 5.343 -2.904 -3.300 685 HD11 LEU 95 HD11 LEU 95 4.284 -0.797 -3.837 686 HD12 LEU 95 HD12 LEU 95 4.917 -0.786 -2.193 687 HD13 LEU 95 HD13 LEU 95 3.190 -0.988 -2.474 688 HD21 LEU 95 HD21 LEU 95 5.008 -2.897 -0.889 689 HD22 LEU 95 HD22 LEU 95 4.392 -4.388 -1.605 690 HD23 LEU 95 HD23 LEU 95 3.271 -3.112 -1.124 691 H PHE 96 HN PHE 96 2.982 -4.413 -6.704 692 HA PHE 96 HA PHE 96 0.529 -5.969 -6.391 693 HB2 PHE 96 HB2 PHE 96 0.536 -4.995 -8.978 694 HB3 PHE 96 HB1 PHE 96 -0.352 -4.321 -7.617 695 HD1 PHE 96 HD1 PHE 96 0.811 -2.527 -6.232 696 HD2 PHE 96 HD2 PHE 96 2.160 -3.761 -10.072 697 HE1 PHE 96 HE1 PHE 96 2.037 -0.408 -6.476 698 HE2 PHE 96 HE2 PHE 96 3.391 -1.645 -10.325 699 HZ PHE 96 HZ PHE 96 3.329 0.036 -8.527 700 H ARG 97 HN ARG 97 3.451 -6.860 -6.838 701 HA ARG 97 HA ARG 97 3.006 -8.510 -9.207 702 HB2 ARG 97 HB2 ARG 97 5.191 -7.386 -8.987 703 HB3 ARG 97 HB1 ARG 97 5.462 -8.216 -7.464 704 HG2 ARG 97 HG2 ARG 97 6.704 -9.402 -9.077 705 HG3 ARG 97 HG1 ARG 97 5.269 -10.378 -8.750 706 HD2 ARG 97 HD2 ARG 97 4.212 -9.571 -10.769 707 HD3 ARG 97 HD1 ARG 97 5.565 -8.486 -11.081 708 HE ARG 97 HE ARG 97 6.314 -11.261 -10.876 709 HH11 ARG 97 HH11 ARG 97 5.201 -8.735 -13.030 710 HH12 ARG 97 HH12 ARG 97 5.818 -9.505 -14.457 711 HH21 ARG 97 HH21 ARG 97 7.126 -12.275 -12.758 712 HH22 ARG 97 HH22 ARG 97 6.913 -11.512 -14.303 713 H GLU 98 HN GLU 98 1.250 -9.512 -7.939 714 HA GLU 98 HA GLU 98 2.241 -11.601 -6.128 715 HB2 GLU 98 HB2 GLU 98 -0.257 -9.927 -5.894 716 HB3 GLU 98 HB1 GLU 98 -0.028 -11.424 -5.002 717 HG2 GLU 98 HG2 GLU 98 1.865 -9.099 -4.838 718 HG3 GLU 98 HG1 GLU 98 0.495 -9.317 -3.749 Start of MODEL 10 1 H1 GLY 13 HT1 GLY 13 19.717 -2.326 2.904 2 H2 GLY 13 HT2 GLY 13 18.082 -2.126 3.275 3 H3 GLY 13 HT3 GLY 13 19.190 -2.493 4.501 4 HA2 GLY 13 HA1 GLY 13 20.309 -0.375 4.150 5 HA3 GLY 13 HA2 GLY 13 19.121 0.008 2.915 6 HA PRO 14 HA PRO 14 16.864 1.969 6.174 7 HB2 PRO 14 HB2 PRO 14 14.582 2.494 4.881 8 HB3 PRO 14 HB1 PRO 14 16.099 3.273 4.412 9 HG2 PRO 14 HG2 PRO 14 14.767 0.865 3.205 10 HG3 PRO 14 HG1 PRO 14 15.407 2.305 2.390 11 HD2 PRO 14 HD2 PRO 14 16.810 0.004 2.566 12 HD3 PRO 14 HD1 PRO 14 17.593 1.597 2.582 13 H GLU 15 HN GLU 15 14.025 1.849 6.299 14 HA GLU 15 HA GLU 15 13.460 -0.103 8.111 15 HB2 GLU 15 HB2 GLU 15 12.009 1.816 7.618 16 HB3 GLU 15 HB1 GLU 15 11.561 1.090 6.084 17 HG2 GLU 15 HG2 GLU 15 9.783 0.733 7.618 18 HG3 GLU 15 HG1 GLU 15 10.581 -0.817 7.345 19 H ASP 16 HN ASP 16 13.200 -0.328 4.619 20 HA ASP 16 HA ASP 16 11.713 -2.628 4.316 21 HB2 ASP 16 HB2 ASP 16 12.295 -1.214 2.439 22 HB3 ASP 16 HB1 ASP 16 13.997 -1.612 2.628 23 H THR 17 HN THR 17 15.194 -2.701 3.673 24 HA THR 17 HA THR 17 16.725 -4.325 3.716 25 HB THR 17 HB THR 17 17.019 -5.562 5.808 26 HG1 THR 17 HG1 THR 17 14.398 -4.896 6.173 27 HG21 THR 17 HG21 THR 17 17.918 -3.323 5.606 28 HG22 THR 17 HG22 THR 17 17.368 -3.615 7.256 29 HG23 THR 17 HG23 THR 17 16.388 -2.642 6.158 30 H THR 18 HN THR 18 13.881 -5.085 2.731 31 HA THR 18 HA THR 18 14.547 -7.760 1.998 32 HB THR 18 HB THR 18 12.039 -7.542 3.681 33 HG1 THR 18 HG1 THR 18 14.626 -7.809 4.506 34 HG21 THR 18 HG21 THR 18 13.595 -9.918 2.660 35 HG22 THR 18 HG22 THR 18 12.084 -9.314 1.985 36 HG23 THR 18 HG23 THR 18 12.115 -9.982 3.616 37 H GLN 19 HN GLN 19 14.252 -6.844 -0.069 38 HA GLN 19 HA GLN 19 11.715 -5.584 -0.709 39 HB2 GLN 19 HB2 GLN 19 14.122 -6.131 -2.456 40 HB3 GLN 19 HB1 GLN 19 12.732 -5.149 -2.900 41 HG2 GLN 19 HG2 GLN 19 13.890 -3.411 -2.142 42 HG3 GLN 19 HG1 GLN 19 13.545 -4.030 -0.520 43 HE21 GLN 19 HE21 GLN 19 15.151 -4.961 0.650 44 HE22 GLN 19 HE22 GLN 19 16.816 -4.981 0.167 45 H ASP 20 HN ASP 20 10.496 -7.514 -0.271 46 HA ASP 20 HA ASP 20 10.103 -9.068 -2.712 47 HB2 ASP 20 HB2 ASP 20 11.676 -10.354 -1.157 48 HB3 ASP 20 HB1 ASP 20 10.322 -10.475 -0.040 49 H ASP 21 HN ASP 21 8.314 -10.837 -0.785 50 HA ASP 21 HA ASP 21 5.969 -9.234 -0.951 51 HB2 ASP 21 HB2 ASP 21 4.831 -10.978 0.239 52 HB3 ASP 21 HB1 ASP 21 5.977 -11.754 -0.845 53 H ASP 22 HN ASP 22 8.503 -9.575 1.325 54 HA ASP 22 HA ASP 22 7.271 -8.289 3.540 55 HB2 ASP 22 HB2 ASP 22 10.145 -8.792 2.796 56 HB3 ASP 22 HB1 ASP 22 9.709 -7.866 4.227 57 H MET 23 HN MET 23 8.504 -7.121 0.564 58 HA MET 23 HA MET 23 9.504 -4.623 1.169 59 HB2 MET 23 HB2 MET 23 9.694 -5.242 -1.058 60 HB3 MET 23 HB1 MET 23 8.006 -5.696 -1.187 61 HG2 MET 23 HG2 MET 23 8.517 -3.711 -2.477 62 HG3 MET 23 HG1 MET 23 7.351 -3.366 -1.208 63 HE1 MET 23 HE1 MET 23 11.168 -3.825 -1.270 64 HE2 MET 23 HE2 MET 23 11.791 -2.196 -1.050 65 HE3 MET 23 HE3 MET 23 11.014 -2.644 -2.569 66 H LYS 24 HN LYS 24 6.197 -5.704 1.306 67 HA LYS 24 HA LYS 24 4.923 -3.211 1.263 68 HB2 LYS 24 HB2 LYS 24 3.717 -5.359 1.126 69 HB3 LYS 24 HB1 LYS 24 4.105 -5.674 2.815 70 HG2 LYS 24 HG2 LYS 24 1.815 -4.818 2.494 71 HG3 LYS 24 HG1 LYS 24 2.802 -3.767 3.513 72 HD2 LYS 24 HD2 LYS 24 3.293 -2.413 1.444 73 HD3 LYS 24 HD1 LYS 24 2.060 -3.367 0.621 74 HE2 LYS 24 HE2 LYS 24 1.224 -1.212 1.463 75 HE3 LYS 24 HE1 LYS 24 0.386 -2.594 2.159 76 HZ1 LYS 24 HZ1 LYS 24 2.549 -1.037 3.465 77 HZ2 LYS 24 HZ2 LYS 24 1.759 -2.371 4.139 78 HZ3 LYS 24 HZ3 LYS 24 0.898 -0.946 3.833 79 H GLN 25 HN GLN 25 6.808 -4.784 3.677 80 HA GLN 25 HA GLN 25 6.003 -3.263 5.934 81 HB2 GLN 25 HB2 GLN 25 7.077 -5.334 6.322 82 HB3 GLN 25 HB1 GLN 25 8.416 -4.932 5.264 83 HG2 GLN 25 HG2 GLN 25 8.236 -3.059 7.444 84 HG3 GLN 25 HG1 GLN 25 8.325 -4.720 8.033 85 HE21 GLN 25 HE21 GLN 25 9.683 -3.615 5.023 86 HE22 GLN 25 HE22 GLN 25 11.344 -3.830 5.457 87 H SER 26 HN SER 26 8.330 -2.734 3.324 88 HA SER 26 HA SER 26 9.577 -0.445 4.423 89 HB2 SER 26 HB2 SER 26 10.501 -1.526 2.460 90 HB3 SER 26 HB1 SER 26 9.039 -1.214 1.543 91 HG SER 26 HG SER 26 10.469 0.356 0.987 92 H ILE 27 HN ILE 27 6.654 -0.927 2.521 93 HA ILE 27 HA ILE 27 6.054 1.837 2.227 94 HB ILE 27 HB ILE 27 3.936 -0.284 2.159 95 HG12 ILE 27 HG12 ILE 27 5.844 -1.195 0.882 96 HG13 ILE 27 HG11 ILE 27 4.495 -0.763 -0.169 97 HG21 ILE 27 HG21 ILE 27 3.125 1.174 0.304 98 HG22 ILE 27 HG22 ILE 27 4.428 2.296 0.691 99 HG23 ILE 27 HG23 ILE 27 3.173 1.956 1.883 100 HD11 ILE 27 HD11 ILE 27 5.656 1.309 -0.773 101 HD12 ILE 27 HD12 ILE 27 6.589 -0.133 -1.178 102 HD13 ILE 27 HD13 ILE 27 7.015 0.827 0.242 103 H VAL 28 HN VAL 28 5.782 -0.328 4.814 104 HA VAL 28 HA VAL 28 3.663 0.883 6.243 105 HB VAL 28 HB VAL 28 6.082 -0.661 7.188 106 HG11 VAL 28 HG11 VAL 28 3.661 0.176 8.777 107 HG12 VAL 28 HG12 VAL 28 5.304 0.781 8.989 108 HG13 VAL 28 HG13 VAL 28 4.938 -0.911 9.328 109 HG21 VAL 28 HG21 VAL 28 4.475 -1.887 5.787 110 HG22 VAL 28 HG22 VAL 28 3.186 -1.459 6.911 111 HG23 VAL 28 HG23 VAL 28 4.510 -2.495 7.441 112 H LYS 29 HN LYS 29 7.058 1.625 5.817 113 HA LYS 29 HA LYS 29 7.225 3.697 7.741 114 HB2 LYS 29 HB2 LYS 29 9.373 3.481 7.148 115 HB3 LYS 29 HB1 LYS 29 8.916 2.463 5.797 116 HG2 LYS 29 HG2 LYS 29 10.130 4.119 4.768 117 HG3 LYS 29 HG1 LYS 29 8.481 4.717 4.581 118 HD2 LYS 29 HD2 LYS 29 8.783 6.179 6.513 119 HD3 LYS 29 HD1 LYS 29 10.423 5.562 6.733 120 HE2 LYS 29 HE2 LYS 29 10.965 6.374 4.446 121 HE3 LYS 29 HE1 LYS 29 9.361 7.104 4.374 122 HZ1 LYS 29 HZ1 LYS 29 11.264 8.594 5.060 123 HZ2 LYS 29 HZ2 LYS 29 11.280 7.755 6.530 124 HZ3 LYS 29 HZ3 LYS 29 9.898 8.614 6.057 125 H TRP 30 HN TRP 30 6.126 3.505 4.437 126 HA TRP 30 HA TRP 30 5.906 6.219 3.786 127 HB2 TRP 30 HB2 TRP 30 4.847 3.691 2.785 128 HB3 TRP 30 HB1 TRP 30 3.717 5.024 2.573 129 HD1 TRP 30 HD1 TRP 30 6.451 3.380 0.815 130 HE1 TRP 30 HE1 TRP 30 7.388 4.880 -1.048 131 HE3 TRP 30 HE3 TRP 30 4.384 7.835 2.236 132 HZ2 TRP 30 HZ2 TRP 30 7.269 7.592 -1.808 133 HZ3 TRP 30 HZ3 TRP 30 4.845 9.828 0.881 134 HH2 TRP 30 HH2 TRP 30 6.261 9.712 -1.098 135 H LEU 31 HN LEU 31 4.007 4.218 5.908 136 HA LEU 31 HA LEU 31 1.597 5.693 5.848 137 HB2 LEU 31 HB2 LEU 31 0.860 4.071 7.208 138 HB3 LEU 31 HB1 LEU 31 2.438 3.341 6.998 139 HG LEU 31 HG LEU 31 3.119 4.745 9.077 140 HD11 LEU 31 HD11 LEU 31 1.083 6.104 9.179 141 HD12 LEU 31 HD12 LEU 31 1.311 5.156 10.650 142 HD13 LEU 31 HD13 LEU 31 0.127 4.645 9.447 143 HD21 LEU 31 HD21 LEU 31 2.490 2.934 10.522 144 HD22 LEU 31 HD22 LEU 31 2.934 2.283 8.944 145 HD23 LEU 31 HD23 LEU 31 1.236 2.422 9.397 146 H PHE 32 HN PHE 32 4.528 5.946 7.767 147 HA PHE 32 HA PHE 32 3.482 8.066 9.417 148 HB2 PHE 32 HB2 PHE 32 6.342 7.134 9.066 149 HB3 PHE 32 HB1 PHE 32 5.735 8.170 10.352 150 HD1 PHE 32 HD1 PHE 32 6.391 4.834 9.337 151 HD2 PHE 32 HD2 PHE 32 3.941 7.186 11.898 152 HE1 PHE 32 HE1 PHE 32 5.913 2.844 10.697 153 HE2 PHE 32 HE2 PHE 32 3.460 5.199 13.266 154 HZ PHE 32 HZ PHE 32 4.445 3.026 12.666 155 H GLU 33 HN GLU 33 4.339 7.909 6.287 156 HA GLU 33 HA GLU 33 5.709 10.489 6.248 157 HB2 GLU 33 HB2 GLU 33 6.560 8.348 5.042 158 HB3 GLU 33 HB1 GLU 33 5.339 8.751 3.840 159 HG2 GLU 33 HG2 GLU 33 7.502 9.627 3.205 160 HG3 GLU 33 HG1 GLU 33 6.364 10.937 3.522 161 H LEU 34 HN LEU 34 3.068 8.791 4.487 162 HA LEU 34 HA LEU 34 2.076 11.462 3.746 163 HB2 LEU 34 HB2 LEU 34 2.491 9.124 2.248 164 HB3 LEU 34 HB1 LEU 34 0.753 9.316 2.371 165 HG LEU 34 HG LEU 34 1.758 10.355 0.337 166 HD11 LEU 34 HD11 LEU 34 0.421 12.240 2.275 167 HD12 LEU 34 HD12 LEU 34 -0.392 11.119 1.183 168 HD13 LEU 34 HD13 LEU 34 0.534 12.471 0.532 169 HD21 LEU 34 HD21 LEU 34 3.809 11.115 1.707 170 HD22 LEU 34 HD22 LEU 34 2.813 12.505 2.137 171 HD23 LEU 34 HD23 LEU 34 3.192 12.180 0.445 172 H ASN 35 HN ASN 35 1.130 8.422 5.200 173 HA ASN 35 HA ASN 35 -0.643 9.243 7.031 174 HB2 ASN 35 HB2 ASN 35 -2.909 8.960 6.049 175 HB3 ASN 35 HB1 ASN 35 -2.063 10.349 5.391 176 HD21 ASN 35 HD21 ASN 35 -3.295 10.412 3.552 177 HD22 ASN 35 HD22 ASN 35 -3.167 9.233 2.293 178 H ALA 36 HN ALA 36 -2.179 7.490 7.742 179 HA ALA 36 HA ALA 36 -0.860 4.978 7.596 180 HB1 ALA 36 HB1 ALA 36 -2.128 5.745 9.573 181 HB2 ALA 36 HB2 ALA 36 -2.618 4.147 9.013 182 HB3 ALA 36 HB3 ALA 36 -3.622 5.552 8.653 183 H LYS 37 HN LYS 37 -3.397 6.468 5.818 184 HA LYS 37 HA LYS 37 -4.746 4.297 4.766 185 HB2 LYS 37 HB2 LYS 37 -4.125 6.989 3.564 186 HB3 LYS 37 HB1 LYS 37 -5.175 5.813 2.783 187 HG2 LYS 37 HG2 LYS 37 -5.641 6.855 5.564 188 HG3 LYS 37 HG1 LYS 37 -6.348 7.577 4.117 189 HD2 LYS 37 HD2 LYS 37 -7.640 5.680 3.665 190 HD3 LYS 37 HD1 LYS 37 -6.668 4.653 4.716 191 HE2 LYS 37 HE2 LYS 37 -8.387 6.927 5.691 192 HE3 LYS 37 HE1 LYS 37 -8.911 5.244 5.640 193 HZ1 LYS 37 HZ1 LYS 37 -8.116 5.743 7.822 194 HZ2 LYS 37 HZ2 LYS 37 -6.662 6.353 7.223 195 HZ3 LYS 37 HZ3 LYS 37 -7.001 4.700 7.085 196 H GLN 38 HN GLN 38 -1.810 5.891 3.433 197 HA GLN 38 HA GLN 38 -1.665 4.268 1.151 198 HB2 GLN 38 HB2 GLN 38 0.585 5.650 2.624 199 HB3 GLN 38 HB1 GLN 38 0.695 4.993 0.994 200 HG2 GLN 38 HG2 GLN 38 -1.168 7.193 1.862 201 HG3 GLN 38 HG1 GLN 38 0.350 7.414 0.993 202 HE21 GLN 38 HE21 GLN 38 -0.841 8.460 -0.664 203 HE22 GLN 38 HE22 GLN 38 -1.756 7.553 -1.813 204 H ARG 39 HN ARG 39 -0.501 3.722 4.417 205 HA ARG 39 HA ARG 39 0.906 1.332 3.948 206 HB2 ARG 39 HB2 ARG 39 0.989 2.406 6.117 207 HB3 ARG 39 HB1 ARG 39 -0.738 2.173 6.343 208 HG2 ARG 39 HG2 ARG 39 0.042 -0.381 5.961 209 HG3 ARG 39 HG1 ARG 39 1.492 0.288 6.710 210 HD2 ARG 39 HD2 ARG 39 0.088 1.156 8.555 211 HD3 ARG 39 HD1 ARG 39 -1.315 0.392 7.813 212 HE ARG 39 HE ARG 39 0.929 -1.353 8.458 213 HH11 ARG 39 HH11 ARG 39 -2.171 -0.050 9.435 214 HH12 ARG 39 HH12 ARG 39 -2.529 -1.363 10.506 215 HH21 ARG 39 HH21 ARG 39 0.457 -3.090 9.872 216 HH22 ARG 39 HH22 ARG 39 -1.045 -3.101 10.743 217 H GLU 40 HN GLU 40 -2.504 1.814 4.868 218 HA GLU 40 HA GLU 40 -2.971 -1.013 4.805 219 HB2 GLU 40 HB2 GLU 40 -5.292 -0.436 5.416 220 HB3 GLU 40 HB1 GLU 40 -4.086 0.263 6.484 221 HG2 GLU 40 HG2 GLU 40 -4.321 2.402 5.239 222 HG3 GLU 40 HG1 GLU 40 -5.650 1.673 4.337 223 H VAL 41 HN VAL 41 -3.815 1.641 2.582 224 HA VAL 41 HA VAL 41 -5.819 0.317 1.178 225 HB VAL 41 HB VAL 41 -5.358 1.861 -0.681 226 HG11 VAL 41 HG11 VAL 41 -5.330 3.251 1.978 227 HG12 VAL 41 HG12 VAL 41 -6.744 2.457 1.289 228 HG13 VAL 41 HG13 VAL 41 -6.021 3.839 0.464 229 HG21 VAL 41 HG21 VAL 41 -3.054 2.769 1.030 230 HG22 VAL 41 HG22 VAL 41 -3.650 3.612 -0.401 231 HG23 VAL 41 HG23 VAL 41 -2.943 2.003 -0.555 232 H LEU 42 HN LEU 42 -2.335 0.407 0.450 233 HA LEU 42 HA LEU 42 -2.435 -1.191 -1.856 234 HB2 LEU 42 HB2 LEU 42 -0.212 -1.103 0.172 235 HB3 LEU 42 HB1 LEU 42 -0.078 -1.559 -1.512 236 HG LEU 42 HG LEU 42 -0.883 1.208 -0.647 237 HD11 LEU 42 HD11 LEU 42 1.863 0.130 -1.262 238 HD12 LEU 42 HD12 LEU 42 1.281 0.694 0.303 239 HD13 LEU 42 HD13 LEU 42 1.451 1.829 -1.033 240 HD21 LEU 42 HD21 LEU 42 -1.400 0.480 -2.968 241 HD22 LEU 42 HD22 LEU 42 0.321 0.190 -3.218 242 HD23 LEU 42 HD23 LEU 42 -0.261 1.821 -2.885 243 H ALA 43 HN ALA 43 -1.861 -1.986 1.538 244 HA ALA 43 HA ALA 43 -1.373 -4.719 1.186 245 HB1 ALA 43 HB1 ALA 43 -1.810 -4.938 3.577 246 HB2 ALA 43 HB2 ALA 43 -2.522 -3.323 3.604 247 HB3 ALA 43 HB3 ALA 43 -0.807 -3.527 3.248 248 H ARG 44 HN ARG 44 -4.353 -2.907 1.493 249 HA ARG 44 HA ARG 44 -5.889 -5.292 1.995 250 HB2 ARG 44 HB2 ARG 44 -6.344 -3.070 3.035 251 HB3 ARG 44 HB1 ARG 44 -6.880 -2.501 1.463 252 HG2 ARG 44 HG2 ARG 44 -8.730 -3.912 1.460 253 HG3 ARG 44 HG1 ARG 44 -8.079 -4.914 2.759 254 HD2 ARG 44 HD2 ARG 44 -8.829 -2.021 3.094 255 HD3 ARG 44 HD1 ARG 44 -9.920 -3.357 3.436 256 HE ARG 44 HE ARG 44 -7.810 -2.408 5.093 257 HH11 ARG 44 HH11 ARG 44 -9.454 -5.356 4.142 258 HH12 ARG 44 HH12 ARG 44 -9.144 -6.161 5.645 259 HH21 ARG 44 HH21 ARG 44 -7.399 -3.484 7.072 260 HH22 ARG 44 HH22 ARG 44 -7.962 -5.113 7.293 261 H ARG 45 HN ARG 45 -5.251 -3.162 -0.761 262 HA ARG 45 HA ARG 45 -7.190 -4.614 -2.349 263 HB2 ARG 45 HB2 ARG 45 -5.418 -2.274 -2.813 264 HB3 ARG 45 HB1 ARG 45 -5.975 -3.181 -4.214 265 HG2 ARG 45 HG2 ARG 45 -7.791 -2.024 -2.107 266 HG3 ARG 45 HG1 ARG 45 -7.400 -1.234 -3.637 267 HD2 ARG 45 HD2 ARG 45 -8.752 -3.924 -3.327 268 HD3 ARG 45 HD1 ARG 45 -9.545 -2.408 -3.754 269 HE ARG 45 HE ARG 45 -8.190 -2.411 -5.815 270 HH11 ARG 45 HH11 ARG 45 -8.754 -5.451 -4.155 271 HH12 ARG 45 HH12 ARG 45 -8.403 -6.417 -5.549 272 HH21 ARG 45 HH21 ARG 45 -7.757 -3.699 -7.649 273 HH22 ARG 45 HH22 ARG 45 -7.846 -5.428 -7.530 274 H PHE 46 HN PHE 46 -3.821 -4.887 -1.640 275 HA PHE 46 HA PHE 46 -3.495 -6.690 -3.930 276 HB2 PHE 46 HB2 PHE 46 -1.364 -5.611 -2.074 277 HB3 PHE 46 HB1 PHE 46 -1.082 -6.579 -3.513 278 HD1 PHE 46 HD1 PHE 46 -0.099 -3.704 -2.672 279 HD2 PHE 46 HD2 PHE 46 -3.128 -5.184 -5.265 280 HE1 PHE 46 HE1 PHE 46 0.047 -1.652 -4.012 281 HE2 PHE 46 HE2 PHE 46 -2.997 -3.135 -6.605 282 HZ PHE 46 HZ PHE 46 -1.318 -1.341 -5.939 283 H GLY 47 HN GLY 47 -3.831 -6.679 -0.517 284 HA2 GLY 47 HA2 GLY 47 -4.319 -8.556 0.794 285 HA3 GLY 47 HA1 GLY 47 -3.713 -9.584 -0.493 286 H LEU 48 HN LEU 48 -1.902 -6.871 0.704 287 HA LEU 48 HA LEU 48 0.270 -8.686 1.414 288 HB2 LEU 48 HB2 LEU 48 0.336 -5.679 1.301 289 HB3 LEU 48 HB1 LEU 48 1.702 -6.772 1.306 290 HG LEU 48 HG LEU 48 -0.298 -6.546 -0.936 291 HD11 LEU 48 HD11 LEU 48 0.996 -4.506 -0.725 292 HD12 LEU 48 HD12 LEU 48 1.497 -5.415 -2.153 293 HD13 LEU 48 HD13 LEU 48 2.492 -5.441 -0.697 294 HD21 LEU 48 HD21 LEU 48 1.345 -7.860 -2.195 295 HD22 LEU 48 HD22 LEU 48 0.731 -8.746 -0.799 296 HD23 LEU 48 HD23 LEU 48 2.332 -8.007 -0.740 297 H LEU 49 HN LEU 49 1.582 -8.176 3.345 298 HA LEU 49 HA LEU 49 1.871 -7.877 5.575 299 HB2 LEU 49 HB2 LEU 49 0.896 -5.496 4.598 300 HB3 LEU 49 HB1 LEU 49 -0.198 -5.832 5.922 301 HG LEU 49 HG LEU 49 1.613 -4.396 6.649 302 HD11 LEU 49 HD11 LEU 49 2.426 -5.681 8.560 303 HD12 LEU 49 HD12 LEU 49 1.864 -7.167 7.797 304 HD13 LEU 49 HD13 LEU 49 0.703 -5.935 8.288 305 HD21 LEU 49 HD21 LEU 49 3.457 -6.643 5.853 306 HD22 LEU 49 HD22 LEU 49 3.926 -5.158 6.683 307 HD23 LEU 49 HD23 LEU 49 3.305 -5.089 5.034 308 H GLY 50 HN GLY 50 -0.127 -9.774 4.664 309 HA2 GLY 50 HA2 GLY 50 -1.449 -11.287 5.822 310 HA3 GLY 50 HA1 GLY 50 -1.399 -10.219 7.213 311 H TYR 51 HN TYR 51 -2.274 -8.286 4.732 312 HA TYR 51 HA TYR 51 -5.000 -8.176 5.583 313 HB2 TYR 51 HB2 TYR 51 -3.442 -6.769 3.436 314 HB3 TYR 51 HB1 TYR 51 -5.182 -6.568 3.581 315 HD1 TYR 51 HD1 TYR 51 -5.503 -4.376 4.324 316 HD2 TYR 51 HD2 TYR 51 -2.582 -6.816 6.223 317 HE1 TYR 51 HE1 TYR 51 -5.152 -2.631 6.018 318 HE2 TYR 51 HE2 TYR 51 -2.225 -5.078 7.914 319 HH TYR 51 HH TYR 51 -2.513 -2.672 8.171 320 H GLU 52 HN GLU 52 -6.749 -8.076 3.872 321 HA GLU 52 HA GLU 52 -6.503 -10.462 2.183 322 HB2 GLU 52 HB2 GLU 52 -9.018 -10.563 2.417 323 HB3 GLU 52 HB1 GLU 52 -8.098 -10.904 3.875 324 HG2 GLU 52 HG2 GLU 52 -8.502 -8.583 4.631 325 HG3 GLU 52 HG1 GLU 52 -9.515 -8.326 3.204 326 H ALA 53 HN ALA 53 -6.439 -10.069 0.098 327 HA ALA 53 HA ALA 53 -7.074 -7.530 -1.027 328 HB1 ALA 53 HB1 ALA 53 -5.351 -8.963 -1.997 329 HB2 ALA 53 HB2 ALA 53 -6.606 -8.607 -3.185 330 HB3 ALA 53 HB3 ALA 53 -6.566 -10.181 -2.388 331 H ALA 54 HN ALA 54 -9.000 -6.796 -1.577 332 HA ALA 54 HA ALA 54 -11.143 -8.662 -2.302 333 HB1 ALA 54 HB1 ALA 54 -12.699 -7.690 -0.745 334 HB2 ALA 54 HB2 ALA 54 -11.481 -6.540 -0.196 335 HB3 ALA 54 HB3 ALA 54 -11.284 -8.261 0.140 336 H THR 55 HN THR 55 -13.260 -6.965 -2.591 337 HA THR 55 HA THR 55 -12.403 -5.474 -4.897 338 HB THR 55 HB THR 55 -14.763 -5.094 -5.313 339 HG1 THR 55 HG1 THR 55 -15.625 -6.575 -3.105 340 HG21 THR 55 HG21 THR 55 -14.295 -7.930 -4.390 341 HG22 THR 55 HG22 THR 55 -13.884 -7.278 -5.976 342 HG23 THR 55 HG23 THR 55 -15.572 -7.400 -5.482 343 H LEU 56 HN LEU 56 -13.485 -3.229 -5.120 344 HA LEU 56 HA LEU 56 -12.350 -1.547 -3.198 345 HB2 LEU 56 HB2 LEU 56 -14.590 -0.950 -5.110 346 HB3 LEU 56 HB1 LEU 56 -13.567 0.242 -4.325 347 HG LEU 56 HG LEU 56 -12.882 -1.661 -6.531 348 HD11 LEU 56 HD11 LEU 56 -13.714 0.498 -7.190 349 HD12 LEU 56 HD12 LEU 56 -11.992 0.386 -7.556 350 HD13 LEU 56 HD13 LEU 56 -12.538 1.306 -6.151 351 HD21 LEU 56 HD21 LEU 56 -11.019 -0.380 -4.565 352 HD22 LEU 56 HD22 LEU 56 -10.505 -0.798 -6.199 353 HD23 LEU 56 HD23 LEU 56 -11.077 -2.058 -5.107 354 H GLU 57 HN GLU 57 -15.640 -2.660 -3.679 355 HA GLU 57 HA GLU 57 -16.877 -1.248 -1.605 356 HB2 GLU 57 HB2 GLU 57 -17.478 -3.743 -3.124 357 HB3 GLU 57 HB1 GLU 57 -18.443 -3.356 -1.712 358 HG2 GLU 57 HG2 GLU 57 -18.998 -1.180 -2.715 359 HG3 GLU 57 HG1 GLU 57 -18.053 -1.614 -4.136 360 H ASP 58 HN ASP 58 -15.496 -4.528 -1.650 361 HA ASP 58 HA ASP 58 -16.251 -5.113 1.012 362 HB2 ASP 58 HB2 ASP 58 -14.209 -6.383 -0.807 363 HB3 ASP 58 HB1 ASP 58 -14.588 -7.003 0.796 364 H VAL 59 HN VAL 59 -13.196 -3.967 -0.402 365 HA VAL 59 HA VAL 59 -11.750 -4.072 2.038 366 HB VAL 59 HB VAL 59 -10.078 -2.634 0.949 367 HG11 VAL 59 HG11 VAL 59 -11.075 -4.777 -0.911 368 HG12 VAL 59 HG12 VAL 59 -10.140 -5.079 0.555 369 HG13 VAL 59 HG13 VAL 59 -9.426 -4.168 -0.778 370 HG21 VAL 59 HG21 VAL 59 -10.376 -1.899 -1.355 371 HG22 VAL 59 HG22 VAL 59 -11.588 -1.177 -0.295 372 HG23 VAL 59 HG23 VAL 59 -12.027 -2.524 -1.345 373 H GLY 60 HN GLY 60 -13.656 -1.545 0.477 374 HA2 GLY 60 HA2 GLY 60 -12.967 0.570 2.209 375 HA3 GLY 60 HA1 GLY 60 -14.459 0.448 1.283 376 H ARG 61 HN ARG 61 -15.419 -1.942 2.397 377 HA ARG 61 HA ARG 61 -16.743 -0.968 4.681 378 HB2 ARG 61 HB2 ARG 61 -16.514 -3.762 3.566 379 HB3 ARG 61 HB1 ARG 61 -17.567 -3.333 4.905 380 HG2 ARG 61 HG2 ARG 61 -18.813 -1.824 3.477 381 HG3 ARG 61 HG1 ARG 61 -17.721 -2.169 2.135 382 HD2 ARG 61 HD2 ARG 61 -19.769 -3.444 1.902 383 HD3 ARG 61 HD1 ARG 61 -18.405 -4.520 2.195 384 HE ARG 61 HE ARG 61 -19.592 -3.923 4.656 385 HH11 ARG 61 HH11 ARG 61 -20.329 -5.646 1.697 386 HH12 ARG 61 HH12 ARG 61 -21.425 -6.750 2.466 387 HH21 ARG 61 HH21 ARG 61 -21.022 -5.395 5.669 388 HH22 ARG 61 HH22 ARG 61 -21.807 -6.615 4.721 389 H GLU 62 HN GLU 62 -13.869 -2.897 4.257 390 HA GLU 62 HA GLU 62 -13.759 -3.990 6.860 391 HB2 GLU 62 HB2 GLU 62 -11.591 -3.541 4.817 392 HB3 GLU 62 HB1 GLU 62 -11.369 -4.442 6.311 393 HG2 GLU 62 HG2 GLU 62 -13.212 -5.130 4.036 394 HG3 GLU 62 HG1 GLU 62 -11.740 -5.979 4.514 395 H ILE 63 HN ILE 63 -12.462 -1.028 5.447 396 HA ILE 63 HA ILE 63 -11.191 -0.385 8.003 397 HB ILE 63 HB ILE 63 -10.021 1.385 6.878 398 HG12 ILE 63 HG12 ILE 63 -11.565 0.659 4.376 399 HG13 ILE 63 HG11 ILE 63 -11.879 2.082 5.366 400 HG21 ILE 63 HG21 ILE 63 -9.147 -0.888 6.680 401 HG22 ILE 63 HG22 ILE 63 -8.740 0.086 5.269 402 HG23 ILE 63 HG23 ILE 63 -10.041 -1.102 5.176 403 HD11 ILE 63 HD11 ILE 63 -10.549 2.625 3.395 404 HD12 ILE 63 HD12 ILE 63 -9.308 1.487 3.916 405 HD13 ILE 63 HD13 ILE 63 -9.646 2.923 4.881 406 H GLY 64 HN GLY 64 -14.031 0.239 6.294 407 HA2 GLY 64 HA2 GLY 64 -15.884 1.367 7.156 408 HA3 GLY 64 HA1 GLY 64 -14.835 2.149 8.325 409 H LEU 65 HN LEU 65 -14.079 2.113 4.938 410 HA LEU 65 HA LEU 65 -14.774 4.971 4.785 411 HB2 LEU 65 HB2 LEU 65 -12.261 3.555 4.066 412 HB3 LEU 65 HB1 LEU 65 -12.771 4.867 3.029 413 HG LEU 65 HG LEU 65 -11.192 5.730 4.598 414 HD11 LEU 65 HD11 LEU 65 -12.432 7.501 5.619 415 HD12 LEU 65 HD12 LEU 65 -13.923 6.567 5.542 416 HD13 LEU 65 HD13 LEU 65 -13.161 7.131 4.057 417 HD21 LEU 65 HD21 LEU 65 -11.541 5.620 7.022 418 HD22 LEU 65 HD22 LEU 65 -11.340 4.020 6.310 419 HD23 LEU 65 HD23 LEU 65 -12.946 4.586 6.767 420 H THR 66 HN THR 66 -14.513 5.608 2.284 421 HA THR 66 HA THR 66 -16.559 4.143 0.938 422 HB THR 66 HB THR 66 -14.977 6.030 -0.668 423 HG1 THR 66 HG1 THR 66 -16.523 7.274 1.311 424 HG21 THR 66 HG21 THR 66 -17.211 6.974 -1.094 425 HG22 THR 66 HG22 THR 66 -17.893 5.870 0.101 426 HG23 THR 66 HG23 THR 66 -17.164 5.233 -1.374 427 H ARG 67 HN ARG 67 -16.353 3.156 -1.151 428 HA ARG 67 HA ARG 67 -14.210 1.406 -1.489 429 HB2 ARG 67 HB2 ARG 67 -15.147 1.094 -3.811 430 HB3 ARG 67 HB1 ARG 67 -16.286 0.857 -2.497 431 HG2 ARG 67 HG2 ARG 67 -17.143 3.146 -2.884 432 HG3 ARG 67 HG1 ARG 67 -16.058 3.280 -4.269 433 HD2 ARG 67 HD2 ARG 67 -17.161 1.448 -5.370 434 HD3 ARG 67 HD1 ARG 67 -18.165 1.153 -3.953 435 HE ARG 67 HE ARG 67 -18.518 3.803 -4.874 436 HH11 ARG 67 HH11 ARG 67 -19.308 0.501 -5.727 437 HH12 ARG 67 HH12 ARG 67 -20.800 0.922 -6.506 438 HH21 ARG 67 HH21 ARG 67 -20.484 4.365 -5.918 439 HH22 ARG 67 HH22 ARG 67 -21.465 3.119 -6.621 440 H GLU 68 HN GLU 68 -14.751 4.632 -2.772 441 HA GLU 68 HA GLU 68 -12.647 4.812 -4.602 442 HB2 GLU 68 HB2 GLU 68 -14.238 6.611 -4.440 443 HB3 GLU 68 HB1 GLU 68 -13.852 6.862 -2.744 444 HG2 GLU 68 HG2 GLU 68 -11.653 7.671 -3.311 445 HG3 GLU 68 HG1 GLU 68 -11.955 7.351 -5.021 446 H ARG 69 HN ARG 69 -12.699 5.343 -1.115 447 HA ARG 69 HA ARG 69 -10.263 6.597 -0.819 448 HB2 ARG 69 HB2 ARG 69 -11.523 4.695 1.160 449 HB3 ARG 69 HB1 ARG 69 -10.345 5.949 1.520 450 HG2 ARG 69 HG2 ARG 69 -13.180 6.330 0.588 451 HG3 ARG 69 HG1 ARG 69 -12.511 6.714 2.173 452 HD2 ARG 69 HD2 ARG 69 -11.066 8.407 1.154 453 HD3 ARG 69 HD1 ARG 69 -11.739 8.021 -0.432 454 HE ARG 69 HE ARG 69 -13.856 8.659 1.281 455 HH11 ARG 69 HH11 ARG 69 -11.112 10.239 -0.220 456 HH12 ARG 69 HH12 ARG 69 -11.869 11.797 -0.245 457 HH21 ARG 69 HH21 ARG 69 -14.850 10.708 1.249 458 HH22 ARG 69 HH22 ARG 69 -13.999 12.065 0.574 459 H VAL 70 HN VAL 70 -10.901 3.102 -0.422 460 HA VAL 70 HA VAL 70 -8.185 2.481 0.024 461 HB VAL 70 HB VAL 70 -10.202 0.557 -1.107 462 HG11 VAL 70 HG11 VAL 70 -7.834 0.162 0.719 463 HG12 VAL 70 HG12 VAL 70 -7.874 -0.200 -1.006 464 HG13 VAL 70 HG13 VAL 70 -8.899 -1.103 0.108 465 HG21 VAL 70 HG21 VAL 70 -9.827 1.399 1.764 466 HG22 VAL 70 HG22 VAL 70 -10.804 0.034 1.228 467 HG23 VAL 70 HG23 VAL 70 -11.253 1.675 0.763 468 H ARG 71 HN ARG 71 -10.188 2.355 -2.900 469 HA ARG 71 HA ARG 71 -8.173 1.290 -4.584 470 HB2 ARG 71 HB2 ARG 71 -10.369 1.076 -5.361 471 HB3 ARG 71 HB1 ARG 71 -10.746 2.757 -5.068 472 HG2 ARG 71 HG2 ARG 71 -10.618 2.556 -7.390 473 HG3 ARG 71 HG1 ARG 71 -9.085 3.286 -6.916 474 HD2 ARG 71 HD2 ARG 71 -7.962 1.161 -7.111 475 HD3 ARG 71 HD1 ARG 71 -9.490 0.347 -7.440 476 HE ARG 71 HE ARG 71 -9.305 2.266 -9.377 477 HH11 ARG 71 HH11 ARG 71 -7.322 -0.431 -8.356 478 HH12 ARG 71 HH12 ARG 71 -6.634 -0.684 -9.924 479 HH21 ARG 71 HH21 ARG 71 -8.434 1.911 -11.454 480 HH22 ARG 71 HH22 ARG 71 -7.254 0.660 -11.686 481 H GLN 72 HN GLN 72 -9.393 4.633 -4.292 482 HA GLN 72 HA GLN 72 -7.618 5.477 -6.372 483 HB2 GLN 72 HB2 GLN 72 -9.610 6.941 -4.658 484 HB3 GLN 72 HB1 GLN 72 -8.651 7.726 -5.919 485 HG2 GLN 72 HG2 GLN 72 -9.582 5.978 -7.498 486 HG3 GLN 72 HG1 GLN 72 -10.704 5.571 -6.207 487 HE21 GLN 72 HE21 GLN 72 -12.473 6.187 -7.456 488 HE22 GLN 72 HE22 GLN 72 -12.846 7.848 -7.761 489 H ILE 73 HN ILE 73 -7.777 5.949 -2.882 490 HA ILE 73 HA ILE 73 -5.573 7.710 -2.728 491 HB ILE 73 HB ILE 73 -6.580 5.722 -0.692 492 HG12 ILE 73 HG12 ILE 73 -6.908 8.722 -0.853 493 HG13 ILE 73 HG11 ILE 73 -8.097 7.575 -1.454 494 HG21 ILE 73 HG21 ILE 73 -5.300 7.019 0.963 495 HG22 ILE 73 HG22 ILE 73 -4.592 7.967 -0.343 496 HG23 ILE 73 HG23 ILE 73 -4.249 6.242 -0.220 497 HD11 ILE 73 HD11 ILE 73 -7.204 7.902 1.393 498 HD12 ILE 73 HD12 ILE 73 -8.331 6.675 0.814 499 HD13 ILE 73 HD13 ILE 73 -8.754 8.384 0.700 500 H GLN 74 HN GLN 74 -5.783 4.207 -2.895 501 HA GLN 74 HA GLN 74 -2.996 3.709 -2.680 502 HB2 GLN 74 HB2 GLN 74 -4.366 1.833 -2.304 503 HB3 GLN 74 HB1 GLN 74 -5.353 2.172 -3.717 504 HG2 GLN 74 HG2 GLN 74 -2.607 1.643 -4.441 505 HG3 GLN 74 HG1 GLN 74 -3.310 0.323 -3.511 506 HE21 GLN 74 HE21 GLN 74 -6.021 0.952 -4.482 507 HE22 GLN 74 HE22 GLN 74 -6.076 0.353 -6.105 508 H VAL 75 HN VAL 75 -5.190 4.296 -5.385 509 HA VAL 75 HA VAL 75 -3.377 3.839 -7.482 510 HB VAL 75 HB VAL 75 -5.789 5.658 -7.402 511 HG11 VAL 75 HG11 VAL 75 -4.242 4.643 -9.782 512 HG12 VAL 75 HG12 VAL 75 -4.294 6.310 -9.214 513 HG13 VAL 75 HG13 VAL 75 -5.752 5.549 -9.847 514 HG21 VAL 75 HG21 VAL 75 -6.263 3.276 -6.978 515 HG22 VAL 75 HG22 VAL 75 -5.484 2.866 -8.508 516 HG23 VAL 75 HG23 VAL 75 -6.957 3.839 -8.498 517 H GLU 76 HN GLU 76 -4.222 6.858 -5.771 518 HA GLU 76 HA GLU 76 -2.379 8.466 -7.231 519 HB2 GLU 76 HB2 GLU 76 -2.747 10.162 -5.524 520 HB3 GLU 76 HB1 GLU 76 -4.281 9.443 -5.989 521 HG2 GLU 76 HG2 GLU 76 -4.229 8.050 -3.983 522 HG3 GLU 76 HG1 GLU 76 -2.702 8.789 -3.515 523 H GLY 77 HN GLY 77 -2.205 6.453 -4.409 524 HA2 GLY 77 HA2 GLY 77 0.253 7.266 -3.361 525 HA3 GLY 77 HA1 GLY 77 -0.443 5.661 -3.204 526 H LEU 78 HN LEU 78 -0.515 5.002 -5.954 527 HA LEU 78 HA LEU 78 1.877 3.652 -6.140 528 HB2 LEU 78 HB2 LEU 78 0.092 4.438 -8.436 529 HB3 LEU 78 HB1 LEU 78 1.263 3.135 -8.442 530 HG LEU 78 HG LEU 78 -1.246 3.272 -6.774 531 HD11 LEU 78 HD11 LEU 78 -1.944 1.360 -8.124 532 HD12 LEU 78 HD12 LEU 78 -0.467 1.493 -9.077 533 HD13 LEU 78 HD13 LEU 78 -1.663 2.788 -9.119 534 HD21 LEU 78 HD21 LEU 78 -0.666 1.003 -6.058 535 HD22 LEU 78 HD22 LEU 78 0.536 2.185 -5.532 536 HD23 LEU 78 HD23 LEU 78 0.873 1.134 -6.910 537 H ARG 79 HN ARG 79 1.167 6.855 -7.322 538 HA ARG 79 HA ARG 79 3.571 7.051 -8.887 539 HB2 ARG 79 HB2 ARG 79 1.580 9.114 -7.953 540 HB3 ARG 79 HB1 ARG 79 2.989 9.507 -8.929 541 HG2 ARG 79 HG2 ARG 79 2.172 8.045 -10.702 542 HG3 ARG 79 HG1 ARG 79 0.762 7.643 -9.722 543 HD2 ARG 79 HD2 ARG 79 0.311 9.381 -11.428 544 HD3 ARG 79 HD1 ARG 79 0.006 9.920 -9.778 545 HE ARG 79 HE ARG 79 2.626 10.628 -10.445 546 HH11 ARG 79 HH11 ARG 79 -0.630 11.405 -11.440 547 HH12 ARG 79 HH12 ARG 79 -0.251 13.043 -11.860 548 HH21 ARG 79 HH21 ARG 79 3.137 12.784 -10.980 549 HH22 ARG 79 HH22 ARG 79 1.896 13.833 -11.591 550 H ARG 80 HN ARG 80 2.473 8.391 -5.788 551 HA ARG 80 HA ARG 80 4.917 9.756 -5.299 552 HB2 ARG 80 HB2 ARG 80 3.954 10.157 -3.043 553 HB3 ARG 80 HB1 ARG 80 2.886 10.620 -4.363 554 HG2 ARG 80 HG2 ARG 80 1.767 8.376 -4.067 555 HG3 ARG 80 HG1 ARG 80 2.684 8.223 -2.567 556 HD2 ARG 80 HD2 ARG 80 0.459 9.093 -2.126 557 HD3 ARG 80 HD1 ARG 80 1.686 10.299 -1.757 558 HE ARG 80 HE ARG 80 0.816 10.683 -4.399 559 HH11 ARG 80 HH11 ARG 80 -0.392 11.016 -1.125 560 HH12 ARG 80 HH12 ARG 80 -1.503 12.280 -1.532 561 HH21 ARG 80 HH21 ARG 80 -0.629 12.352 -4.926 562 HH22 ARG 80 HH22 ARG 80 -1.634 13.041 -3.692 563 H LEU 81 HN LEU 81 3.659 6.603 -4.369 564 HA LEU 81 HA LEU 81 5.310 6.000 -2.216 565 HB2 LEU 81 HB2 LEU 81 4.339 4.113 -4.361 566 HB3 LEU 81 HB1 LEU 81 4.989 3.629 -2.810 567 HG LEU 81 HG LEU 81 2.446 5.201 -3.217 568 HD11 LEU 81 HD11 LEU 81 1.329 3.155 -2.530 569 HD12 LEU 81 HD12 LEU 81 2.883 2.321 -2.471 570 HD13 LEU 81 HD13 LEU 81 2.259 2.917 -4.009 571 HD21 LEU 81 HD21 LEU 81 3.666 4.021 -0.722 572 HD22 LEU 81 HD22 LEU 81 2.069 4.762 -0.833 573 HD23 LEU 81 HD23 LEU 81 3.514 5.738 -1.096 574 H ARG 82 HN ARG 82 6.038 6.085 -5.602 575 HA ARG 82 HA ARG 82 8.308 4.421 -5.601 576 HB2 ARG 82 HB2 ARG 82 7.645 6.749 -7.408 577 HB3 ARG 82 HB1 ARG 82 8.880 5.537 -7.719 578 HG2 ARG 82 HG2 ARG 82 7.129 3.809 -7.767 579 HG3 ARG 82 HG1 ARG 82 5.913 5.062 -7.544 580 HD2 ARG 82 HD2 ARG 82 6.673 6.147 -9.610 581 HD3 ARG 82 HD1 ARG 82 7.855 4.861 -9.836 582 HE ARG 82 HE ARG 82 5.126 3.952 -9.609 583 HH11 ARG 82 HH11 ARG 82 7.650 5.058 -11.762 584 HH12 ARG 82 HH12 ARG 82 6.969 4.301 -13.167 585 HH21 ARG 82 HH21 ARG 82 4.213 2.950 -11.468 586 HH22 ARG 82 HH22 ARG 82 5.013 3.109 -12.998 587 H GLU 83 HN GLU 83 7.826 7.745 -4.681 588 HA GLU 83 HA GLU 83 10.407 8.738 -5.074 589 HB2 GLU 83 HB2 GLU 83 8.356 9.546 -3.010 590 HB3 GLU 83 HB1 GLU 83 9.777 10.485 -3.447 591 HG2 GLU 83 HG2 GLU 83 7.530 9.746 -5.310 592 HG3 GLU 83 HG1 GLU 83 7.748 11.315 -4.533 593 H ILE 84 HN ILE 84 8.987 7.402 -2.067 594 HA ILE 84 HA ILE 84 11.409 7.633 -0.601 595 HB ILE 84 HB ILE 84 8.739 6.621 -0.060 596 HG12 ILE 84 HG12 ILE 84 9.813 7.141 2.358 597 HG13 ILE 84 HG11 ILE 84 10.929 8.032 1.334 598 HG21 ILE 84 HG21 ILE 84 9.283 5.012 1.698 599 HG22 ILE 84 HG22 ILE 84 10.986 5.075 1.234 600 HG23 ILE 84 HG23 ILE 84 9.791 4.428 0.111 601 HD11 ILE 84 HD11 ILE 84 9.217 9.512 2.051 602 HD12 ILE 84 HD12 ILE 84 7.952 8.388 1.540 603 HD13 ILE 84 HD13 ILE 84 8.969 9.190 0.333 604 H LEU 85 HN LEU 85 10.132 5.217 -2.750 605 HA LEU 85 HA LEU 85 11.812 3.139 -1.722 606 HB2 LEU 85 HB2 LEU 85 10.080 3.255 -4.186 607 HB3 LEU 85 HB1 LEU 85 10.879 1.815 -3.587 608 HG LEU 85 HG LEU 85 8.673 3.359 -2.219 609 HD11 LEU 85 HD11 LEU 85 8.798 0.563 -3.330 610 HD12 LEU 85 HD12 LEU 85 7.934 1.928 -4.039 611 HD13 LEU 85 HD13 LEU 85 7.428 1.279 -2.480 612 HD21 LEU 85 HD21 LEU 85 10.282 2.582 -0.563 613 HD22 LEU 85 HD22 LEU 85 10.205 0.954 -1.237 614 HD23 LEU 85 HD23 LEU 85 8.784 1.660 -0.469 615 H GLN 86 HN GLN 86 11.689 4.987 -4.781 616 HA GLN 86 HA GLN 86 13.952 3.722 -5.892 617 HB2 GLN 86 HB2 GLN 86 13.966 5.514 -7.539 618 HB3 GLN 86 HB1 GLN 86 12.326 4.946 -7.260 619 HG2 GLN 86 HG2 GLN 86 11.934 6.871 -5.787 620 HG3 GLN 86 HG1 GLN 86 13.561 7.449 -6.145 621 HE21 GLN 86 HE21 GLN 86 10.366 6.934 -7.392 622 HE22 GLN 86 HE22 GLN 86 10.533 7.906 -8.811 623 H THR 87 HN THR 87 13.625 6.402 -3.689 624 HA THR 87 HA THR 87 16.316 7.331 -4.051 625 HB THR 87 HB THR 87 14.232 8.649 -3.177 626 HG1 THR 87 HG1 THR 87 16.198 9.679 -3.324 627 HG21 THR 87 HG21 THR 87 15.322 7.563 -0.579 628 HG22 THR 87 HG22 THR 87 13.752 7.162 -1.278 629 HG23 THR 87 HG23 THR 87 14.089 8.812 -0.753 630 H GLN 88 HN GLN 88 14.921 4.707 -2.501 631 HA GLN 88 HA GLN 88 17.230 4.402 -0.698 632 HB2 GLN 88 HB2 GLN 88 14.370 3.507 -0.399 633 HB3 GLN 88 HB1 GLN 88 15.667 2.863 0.594 634 HG2 GLN 88 HG2 GLN 88 16.090 4.963 1.581 635 HG3 GLN 88 HG1 GLN 88 15.088 5.797 0.396 636 HE21 GLN 88 HE21 GLN 88 13.861 6.733 2.028 637 HE22 GLN 88 HE22 GLN 88 12.699 5.830 2.927 638 H GLY 89 HN GLY 89 16.273 3.440 -3.594 639 HA2 GLY 89 HA2 GLY 89 17.034 1.708 -4.925 640 HA3 GLY 89 HA1 GLY 89 17.816 1.017 -3.511 641 H LEU 90 HN LEU 90 14.445 1.791 -3.443 642 HA LEU 90 HA LEU 90 13.787 -1.082 -3.399 643 HB2 LEU 90 HB2 LEU 90 12.193 1.170 -2.204 644 HB3 LEU 90 HB1 LEU 90 12.056 -0.541 -1.863 645 HG LEU 90 HG LEU 90 14.462 1.133 -1.147 646 HD11 LEU 90 HD11 LEU 90 12.166 0.254 0.585 647 HD12 LEU 90 HD12 LEU 90 12.504 1.903 0.062 648 HD13 LEU 90 HD13 LEU 90 13.628 1.070 1.136 649 HD21 LEU 90 HD21 LEU 90 15.046 -0.753 0.273 650 HD22 LEU 90 HD22 LEU 90 14.925 -1.248 -1.415 651 HD23 LEU 90 HD23 LEU 90 13.624 -1.630 -0.288 652 H ASN 91 HN ASN 91 11.569 -1.623 -4.239 653 HA ASN 91 HA ASN 91 10.763 0.257 -6.360 654 HB2 ASN 91 HB2 ASN 91 10.353 -1.661 -7.856 655 HB3 ASN 91 HB1 ASN 91 12.039 -1.579 -7.372 656 HD21 ASN 91 HD21 ASN 91 10.453 -3.823 -8.372 657 HD22 ASN 91 HD22 ASN 91 10.568 -5.061 -7.169 658 H ILE 92 HN ILE 92 8.661 0.567 -6.695 659 HA ILE 92 HA ILE 92 6.800 -0.317 -4.691 660 HB ILE 92 HB ILE 92 6.686 1.951 -5.692 661 HG12 ILE 92 HG12 ILE 92 4.317 0.104 -5.889 662 HG13 ILE 92 HG11 ILE 92 4.732 1.212 -4.588 663 HG21 ILE 92 HG21 ILE 92 5.644 2.200 -7.932 664 HG22 ILE 92 HG22 ILE 92 5.824 0.460 -8.166 665 HG23 ILE 92 HG23 ILE 92 7.251 1.477 -7.980 666 HD11 ILE 92 HD11 ILE 92 2.843 2.013 -5.855 667 HD12 ILE 92 HD12 ILE 92 3.798 1.980 -7.335 668 HD13 ILE 92 HD13 ILE 92 4.218 3.100 -6.041 669 H GLU 93 HN GLU 93 7.662 -1.274 -7.898 670 HA GLU 93 HA GLU 93 5.316 -2.586 -8.693 671 HB2 GLU 93 HB2 GLU 93 8.199 -3.029 -9.434 672 HB3 GLU 93 HB1 GLU 93 6.881 -3.919 -10.179 673 HG2 GLU 93 HG2 GLU 93 5.911 -1.808 -10.959 674 HG3 GLU 93 HG1 GLU 93 7.263 -0.935 -10.237 675 H ALA 94 HN ALA 94 7.423 -3.369 -6.205 676 HA ALA 94 HA ALA 94 7.226 -6.236 -6.401 677 HB1 ALA 94 HB1 ALA 94 8.234 -4.429 -4.214 678 HB2 ALA 94 HB2 ALA 94 9.203 -5.263 -5.423 679 HB3 ALA 94 HB3 ALA 94 8.346 -6.187 -4.188 680 H LEU 95 HN LEU 95 5.225 -3.741 -5.328 681 HA LEU 95 HA LEU 95 3.936 -5.156 -3.183 682 HB2 LEU 95 HB2 LEU 95 3.231 -2.646 -4.673 683 HB3 LEU 95 HB1 LEU 95 2.377 -3.241 -3.257 684 HG LEU 95 HG LEU 95 5.324 -2.667 -3.208 685 HD11 LEU 95 HD11 LEU 95 3.045 -0.811 -2.595 686 HD12 LEU 95 HD12 LEU 95 4.245 -0.636 -3.875 687 HD13 LEU 95 HD13 LEU 95 4.734 -0.515 -2.187 688 HD21 LEU 95 HD21 LEU 95 4.954 -2.557 -0.814 689 HD22 LEU 95 HD22 LEU 95 4.394 -4.103 -1.453 690 HD23 LEU 95 HD23 LEU 95 3.229 -2.840 -1.051 691 H PHE 96 HN PHE 96 3.174 -4.337 -6.535 692 HA PHE 96 HA PHE 96 0.760 -5.966 -6.377 693 HB2 PHE 96 HB2 PHE 96 0.925 -5.064 -8.973 694 HB3 PHE 96 HB1 PHE 96 -0.044 -4.353 -7.690 695 HD1 PHE 96 HD1 PHE 96 1.017 -2.504 -6.303 696 HD2 PHE 96 HD2 PHE 96 2.598 -3.843 -10.020 697 HE1 PHE 96 HE1 PHE 96 2.238 -0.382 -6.545 698 HE2 PHE 96 HE2 PHE 96 3.827 -1.726 -10.266 699 HZ PHE 96 HZ PHE 96 3.648 0.008 -8.528 700 H ARG 97 HN ARG 97 3.788 -6.697 -6.675 701 HA ARG 97 HA ARG 97 3.724 -8.331 -9.038 702 HB2 ARG 97 HB2 ARG 97 5.842 -7.399 -8.278 703 HB3 ARG 97 HB1 ARG 97 5.674 -8.222 -6.737 704 HG2 ARG 97 HG2 ARG 97 7.229 -9.446 -8.072 705 HG3 ARG 97 HG1 ARG 97 5.735 -10.385 -7.958 706 HD2 ARG 97 HD2 ARG 97 5.056 -9.520 -10.162 707 HD3 ARG 97 HD1 ARG 97 6.596 -8.669 -10.282 708 HE ARG 97 HE ARG 97 7.240 -11.301 -9.804 709 HH11 ARG 97 HH11 ARG 97 5.433 -9.567 -12.254 710 HH12 ARG 97 HH12 ARG 97 5.835 -10.688 -13.516 711 HH21 ARG 97 HH21 ARG 97 7.759 -12.780 -11.464 712 HH22 ARG 97 HH22 ARG 97 7.156 -12.509 -13.069 713 H GLU 98 HN GLU 98 1.698 -9.305 -8.390 714 HA GLU 98 HA GLU 98 1.989 -11.461 -6.422 715 HB2 GLU 98 HB2 GLU 98 -0.446 -9.982 -7.413 716 HB3 GLU 98 HB1 GLU 98 -0.549 -11.468 -6.478 717 HG2 GLU 98 HG2 GLU 98 0.853 -8.981 -5.539 718 HG3 GLU 98 HG1 GLU 98 -0.815 -9.391 -5.139
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