NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
499911 | 2l7e | 17352 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 16.622 28.222 5.442 2 H2 MET 1 2H MET 1 16.235 29.768 6.078 3 H3 MET 1 3H MET 1 16.670 29.602 4.426 4 HA MET 1 HA MET 1 14.228 28.699 5.788 5 HB2 MET 1 1HB MET 1 14.662 30.404 3.326 6 HB3 MET 1 2HB MET 1 13.140 30.125 4.159 7 HG2 MET 1 1HG MET 1 14.618 31.151 6.170 8 HG3 MET 1 2HG MET 1 15.333 31.975 4.786 9 HE1 MET 1 3HE MET 1 12.283 32.685 7.371 10 HE2 MET 1 1HE MET 1 12.910 34.250 6.854 11 HE3 MET 1 2HE MET 1 14.024 32.951 7.280 12 H VAL 2 H VAL 2 14.402 26.478 5.394 13 HA VAL 2 HA VAL 2 14.341 25.699 2.549 14 HB VAL 2 HB VAL 2 15.123 23.441 3.321 15 HG11 VAL 2 1HG1 VAL 2 16.548 25.568 2.535 16 HG12 VAL 2 2HG1 VAL 2 17.273 24.007 2.920 17 HG13 VAL 2 3HG1 VAL 2 17.275 25.299 4.120 18 HG21 VAL 2 3HG2 VAL 2 16.182 23.224 5.484 19 HG22 VAL 2 1HG2 VAL 2 14.501 23.711 5.695 20 HG23 VAL 2 2HG2 VAL 2 15.793 24.898 5.876 21 H ALA 3 H ALA 3 13.136 23.648 2.123 22 HA ALA 3 HA ALA 3 10.569 23.736 3.514 23 HB1 ALA 3 3HB ALA 3 10.008 23.712 1.325 24 HB2 ALA 3 1HB ALA 3 10.152 21.967 1.531 25 HB3 ALA 3 2HB ALA 3 11.488 22.887 0.840 26 H THR 4 H THR 4 9.478 21.354 3.410 27 HA THR 4 HA THR 4 11.365 19.398 4.500 28 HB THR 4 HB THR 4 10.529 20.396 6.487 29 HG1 THR 4 HG1 THR 4 9.864 18.607 7.402 30 HG21 THR 4 3HG2 THR 4 7.697 19.983 5.587 31 HG22 THR 4 1HG2 THR 4 8.552 21.515 5.406 32 HG23 THR 4 2HG2 THR 4 8.278 20.843 7.012 33 H VAL 5 H VAL 5 10.776 17.244 4.240 34 HA VAL 5 HA VAL 5 8.342 16.746 2.660 35 HB VAL 5 HB VAL 5 10.998 15.390 2.180 36 HG11 VAL 5 1HG1 VAL 5 8.377 14.673 1.469 37 HG12 VAL 5 2HG1 VAL 5 9.885 13.959 0.900 38 HG13 VAL 5 3HG1 VAL 5 9.140 15.278 -0.001 39 HG21 VAL 5 3HG2 VAL 5 9.685 17.508 0.480 40 HG22 VAL 5 1HG2 VAL 5 11.233 16.715 0.187 41 HG23 VAL 5 2HG2 VAL 5 11.043 17.795 1.567 42 H LYS 6 H LYS 6 7.051 15.363 3.674 43 HA LYS 6 HA LYS 6 8.218 13.084 5.094 44 HB2 LYS 6 1HB LYS 6 7.238 15.245 6.482 45 HB3 LYS 6 2HB LYS 6 5.835 14.190 6.410 46 HG2 LYS 6 1HG LYS 6 8.548 13.404 7.456 47 HG3 LYS 6 2HG LYS 6 7.158 13.858 8.442 48 HD2 LYS 6 1HD LYS 6 5.937 11.942 7.774 49 HD3 LYS 6 2HD LYS 6 7.071 11.585 6.470 50 HE2 LYS 6 1HE LYS 6 7.372 10.074 8.372 51 HE3 LYS 6 2HE LYS 6 8.804 11.061 8.090 52 HZ1 LYS 6 3HZ LYS 6 7.862 10.756 10.483 53 HZ2 LYS 6 1HZ LYS 6 6.796 11.988 10.026 54 HZ3 LYS 6 2HZ LYS 6 8.465 12.259 9.996 55 H ARG 7 H ARG 7 7.488 11.419 3.906 56 HA ARG 7 HA ARG 7 4.594 11.286 3.397 57 HB2 ARG 7 1HB ARG 7 4.960 10.319 1.211 58 HB3 ARG 7 2HB ARG 7 5.770 11.875 1.307 59 HG2 ARG 7 1HG ARG 7 7.910 10.800 1.582 60 HG3 ARG 7 2HG ARG 7 7.138 9.214 1.649 61 HD2 ARG 7 1HD ARG 7 7.992 9.453 -0.547 62 HD3 ARG 7 2HD ARG 7 6.247 9.669 -0.659 63 HE ARG 7 HE ARG 7 8.292 11.710 -1.027 64 HH11 ARG 7 1HH1 ARG 7 4.877 10.936 -0.814 65 HH12 ARG 7 2HH1 ARG 7 4.373 12.413 -1.558 66 HH21 ARG 7 1HH2 ARG 7 7.610 13.658 -2.000 67 HH22 ARG 7 2HH2 ARG 7 5.922 13.961 -2.228 68 H THR 8 H THR 8 3.640 9.431 3.979 69 HA THR 8 HA THR 8 5.359 7.118 4.596 70 HB THR 8 HB THR 8 4.810 7.970 6.724 71 HG1 THR 8 HG1 THR 8 3.716 6.309 7.570 72 HG21 THR 8 3HG2 THR 8 2.997 9.519 5.898 73 HG22 THR 8 1HG2 THR 8 2.726 8.760 7.464 74 HG23 THR 8 2HG2 THR 8 1.897 8.148 6.033 75 H ILE 9 H ILE 9 4.622 5.129 4.031 76 HA ILE 9 HA ILE 9 2.132 5.049 2.473 77 HB ILE 9 HB ILE 9 4.180 4.470 1.226 78 HG12 ILE 9 1HG1 ILE 9 2.895 1.834 1.309 79 HG13 ILE 9 2HG1 ILE 9 1.752 3.169 1.216 80 HG21 ILE 9 1HG2 ILE 9 5.484 2.538 1.706 81 HG22 ILE 9 2HG2 ILE 9 4.386 2.042 2.993 82 HG23 ILE 9 3HG2 ILE 9 5.380 3.485 3.189 83 HD11 ILE 9 3HD1 ILE 9 2.336 2.318 -0.986 84 HD12 ILE 9 1HD1 ILE 9 4.034 2.682 -0.682 85 HD13 ILE 9 2HD1 ILE 9 2.856 3.991 -0.783 86 H ARG 10 H ARG 10 0.455 4.033 3.340 87 HA ARG 10 HA ARG 10 0.975 1.917 5.321 88 HB2 ARG 10 1HB ARG 10 -1.309 3.897 5.365 89 HB3 ARG 10 2HB ARG 10 -1.003 2.637 6.553 90 HG2 ARG 10 1HG ARG 10 1.136 3.747 7.117 91 HG3 ARG 10 2HG ARG 10 0.717 5.046 5.999 92 HD2 ARG 10 1HD ARG 10 -1.526 4.938 7.504 93 HD3 ARG 10 2HD ARG 10 -0.318 4.450 8.691 94 HE ARG 10 HE ARG 10 0.788 6.645 7.578 95 HH11 ARG 10 1HH1 ARG 10 -2.365 6.032 8.978 96 HH12 ARG 10 2HH1 ARG 10 -2.586 7.667 9.501 97 HH21 ARG 10 1HH2 ARG 10 0.489 8.798 8.274 98 HH22 ARG 10 2HH2 ARG 10 -0.968 9.236 9.101 99 H ILE 11 H ILE 11 0.291 0.003 4.638 100 HA ILE 11 HA ILE 11 -2.071 -0.103 2.877 101 HB ILE 11 HB ILE 11 -1.107 -2.234 1.956 102 HG12 ILE 11 1HG1 ILE 11 1.632 -1.410 2.696 103 HG13 ILE 11 2HG1 ILE 11 0.676 -2.076 4.014 104 HG21 ILE 11 1HG2 ILE 11 0.227 -1.137 0.327 105 HG22 ILE 11 2HG2 ILE 11 0.638 0.164 1.444 106 HG23 ILE 11 3HG2 ILE 11 -1.010 0.012 0.837 107 HD11 ILE 11 3HD1 ILE 11 0.705 -3.572 1.458 108 HD12 ILE 11 1HD1 ILE 11 0.645 -4.159 3.120 109 HD13 ILE 11 2HD1 ILE 11 2.168 -3.585 2.442 110 H LYS 12 H LYS 12 -3.751 -1.247 3.602 111 HA LYS 12 HA LYS 12 -3.315 -3.047 5.890 112 HB2 LYS 12 1HB LYS 12 -5.398 -1.049 5.266 113 HB3 LYS 12 2HB LYS 12 -5.983 -2.559 5.950 114 HG2 LYS 12 1HG LYS 12 -5.649 -1.272 7.824 115 HG3 LYS 12 2HG LYS 12 -4.136 -2.170 7.731 116 HD2 LYS 12 1HD LYS 12 -3.254 -0.095 7.997 117 HD3 LYS 12 2HD LYS 12 -3.460 -0.049 6.246 118 HE2 LYS 12 1HE LYS 12 -4.331 1.988 7.144 119 HE3 LYS 12 2HE LYS 12 -5.692 1.005 6.608 120 HZ1 LYS 12 3HZ LYS 12 -5.955 2.098 8.829 121 HZ2 LYS 12 1HZ LYS 12 -4.756 1.061 9.422 122 HZ3 LYS 12 2HZ LYS 12 -6.205 0.426 8.824 123 H THR 13 H THR 13 -3.850 -5.135 5.712 124 HA THR 13 HA THR 13 -5.543 -5.951 3.454 125 HB THR 13 HB THR 13 -2.998 -7.319 4.347 126 HG1 THR 13 HG1 THR 13 -2.479 -5.551 3.124 127 HG21 THR 13 3HG2 THR 13 -3.317 -8.647 2.251 128 HG22 THR 13 1HG2 THR 13 -4.969 -8.032 2.198 129 HG23 THR 13 2HG2 THR 13 -4.437 -9.017 3.561 130 H GLN 14 H GLN 14 -7.160 -7.299 3.984 131 HA GLN 14 HA GLN 14 -6.926 -8.955 6.384 132 HB2 GLN 14 1HB GLN 14 -9.157 -6.998 5.843 133 HB3 GLN 14 2HB GLN 14 -9.291 -8.309 7.006 134 HG2 GLN 14 1HG GLN 14 -8.472 -6.914 8.515 135 HG3 GLN 14 2HG GLN 14 -6.922 -7.052 7.689 136 HE21 GLN 14 2HE2 GLN 14 -7.541 -4.808 9.117 137 HE22 GLN 14 1HE2 GLN 14 -7.774 -3.474 8.044 138 H GLN 15 H GLN 15 -8.425 -10.743 6.460 139 HA GLN 15 HA GLN 15 -9.990 -11.294 4.068 140 HB2 GLN 15 1HB GLN 15 -7.816 -12.107 3.391 141 HB3 GLN 15 2HB GLN 15 -7.629 -12.990 4.898 142 HG2 GLN 15 1HG GLN 15 -8.761 -14.750 4.138 143 HG3 GLN 15 2HG GLN 15 -10.025 -13.749 3.434 144 HE21 GLN 15 2HE2 GLN 15 -9.733 -12.925 1.320 145 HE22 GLN 15 1HE2 GLN 15 -8.652 -13.695 0.212 146 H HIS 16 H HIS 16 -11.558 -12.950 4.339 147 HA HIS 16 HA HIS 16 -11.679 -14.203 6.995 148 HB2 HIS 16 1HB HIS 16 -13.028 -12.100 7.044 149 HB3 HIS 16 2HB HIS 16 -14.033 -12.766 5.763 150 HD1 HIS 16 HD1 HIS 16 -16.173 -12.926 7.114 151 HD2 HIS 16 HD2 HIS 16 -12.975 -14.905 8.885 152 HE1 HIS 16 HE1 HIS 16 -17.166 -14.251 9.006 153 HE2 HIS 16 HE2 HIS 16 -15.207 -15.400 10.096 154 H ILE 17 H ILE 17 -11.935 -16.335 6.733 155 HA ILE 17 HA ILE 17 -13.312 -17.274 4.303 156 HB ILE 17 HB ILE 17 -11.479 -18.906 6.057 157 HG12 ILE 17 1HG1 ILE 17 -10.823 -17.445 3.486 158 HG13 ILE 17 2HG1 ILE 17 -10.244 -17.003 5.088 159 HG21 ILE 17 1HG2 ILE 17 -13.277 -19.802 4.280 160 HG22 ILE 17 2HG2 ILE 17 -11.736 -20.605 4.586 161 HG23 ILE 17 3HG2 ILE 17 -11.908 -19.527 3.201 162 HD11 ILE 17 3HD1 ILE 17 -8.542 -18.403 4.909 163 HD12 ILE 17 1HD1 ILE 17 -9.026 -18.698 3.241 164 HD13 ILE 17 2HD1 ILE 17 -9.617 -19.747 4.529 165 H LEU 18 H LEU 18 -15.413 -17.545 4.800 166 HA LEU 18 HA LEU 18 -16.200 -19.661 6.523 167 HB2 LEU 18 1HB LEU 18 -15.723 -17.608 8.058 168 HB3 LEU 18 2HB LEU 18 -17.244 -17.002 7.431 169 HG LEU 18 HG LEU 18 -18.290 -19.178 8.226 170 HD11 LEU 18 1HD1 LEU 18 -16.807 -19.971 10.300 171 HD12 LEU 18 2HD1 LEU 18 -15.516 -19.510 9.191 172 HD13 LEU 18 3HD1 LEU 18 -16.706 -20.718 8.706 173 HD21 LEU 18 3HD2 LEU 18 -18.689 -18.322 10.384 174 HD22 LEU 18 1HD2 LEU 18 -18.393 -16.915 9.364 175 HD23 LEU 18 2HD2 LEU 18 -17.125 -17.507 10.437 176 HA PRO 19 HA PRO 19 -19.442 -19.389 3.482 177 HB2 PRO 19 1HB PRO 19 -21.074 -21.323 4.504 178 HB3 PRO 19 2HB PRO 19 -19.613 -21.669 3.574 179 HG2 PRO 19 1HG PRO 19 -20.033 -21.710 6.531 180 HG3 PRO 19 2HG PRO 19 -19.100 -22.821 5.513 181 HD2 PRO 19 1HD PRO 19 -17.949 -20.858 6.999 182 HD3 PRO 19 2HD PRO 19 -17.262 -21.442 5.471 183 H GLU 20 H GLU 20 -20.542 -19.770 6.861 184 HA GLU 20 HA GLU 20 -21.980 -18.566 8.139 185 HB2 GLU 20 1HB GLU 20 -21.010 -16.592 6.761 186 HB3 GLU 20 2HB GLU 20 -22.526 -16.668 5.877 187 HG2 GLU 20 1HG GLU 20 -23.769 -15.953 7.661 188 HG3 GLU 20 2HG GLU 20 -22.608 -16.544 8.848 189 H VAL 21 H VAL 21 -23.139 -18.555 4.767 190 HA VAL 21 HA VAL 21 -25.799 -19.339 5.703 191 HB VAL 21 HB VAL 21 -24.933 -18.586 2.911 192 HG11 VAL 21 1HG1 VAL 21 -27.178 -19.912 3.631 193 HG12 VAL 21 2HG1 VAL 21 -27.066 -18.834 2.241 194 HG13 VAL 21 3HG1 VAL 21 -27.727 -18.242 3.765 195 HG21 VAL 21 3HG2 VAL 21 -25.841 -16.925 5.218 196 HG22 VAL 21 1HG2 VAL 21 -26.309 -16.457 3.584 197 HG23 VAL 21 2HG2 VAL 21 -24.603 -16.592 4.008 198 HA PRO 22 HA PRO 22 -24.880 -23.629 4.808 199 HB2 PRO 22 1HB PRO 22 -27.839 -23.790 4.582 200 HB3 PRO 22 2HB PRO 22 -26.730 -24.751 5.566 201 HG2 PRO 22 1HG PRO 22 -28.261 -22.872 6.675 202 HG3 PRO 22 2HG PRO 22 -26.596 -23.139 7.227 203 HD2 PRO 22 1HD PRO 22 -27.697 -20.971 5.490 204 HD3 PRO 22 2HD PRO 22 -26.439 -20.888 6.740 205 HA PRO 23 HA PRO 23 -25.310 -23.049 0.315 206 HB2 PRO 23 1HB PRO 23 -23.346 -24.785 -0.369 207 HB3 PRO 23 2HB PRO 23 -23.015 -23.137 0.182 208 HG2 PRO 23 1HG PRO 23 -22.904 -25.708 1.715 209 HG3 PRO 23 2HG PRO 23 -21.762 -24.350 1.725 210 HD2 PRO 23 1HD PRO 23 -23.626 -24.717 3.662 211 HD3 PRO 23 2HD PRO 23 -23.060 -23.109 3.167 212 H VAL 24 H VAL 24 -25.648 -24.584 -1.509 213 HA VAL 24 HA VAL 24 -27.473 -26.681 -0.703 214 HB VAL 24 HB VAL 24 -28.072 -25.180 -2.555 215 HG11 VAL 24 1HG1 VAL 24 -25.897 -24.780 -3.528 216 HG12 VAL 24 2HG1 VAL 24 -26.978 -25.444 -4.751 217 HG13 VAL 24 3HG1 VAL 24 -25.762 -26.475 -4.000 218 HG21 VAL 24 3HG2 VAL 24 -28.567 -27.824 -2.374 219 HG22 VAL 24 1HG2 VAL 24 -27.830 -27.750 -3.975 220 HG23 VAL 24 2HG2 VAL 24 -29.257 -26.778 -3.615 221 H GLU 25 H GLU 25 -24.291 -26.416 -2.166 222 HA GLU 25 HA GLU 25 -23.769 -29.195 -1.592 223 HB2 GLU 25 1HB GLU 25 -24.807 -28.874 -4.010 224 HB3 GLU 25 2HB GLU 25 -23.161 -28.400 -4.406 225 HG2 GLU 25 1HG GLU 25 -22.500 -30.510 -4.468 226 HG3 GLU 25 2HG GLU 25 -23.149 -30.819 -2.858 227 H ASN 26 H ASN 26 -22.532 -26.327 -3.332 228 HA ASN 26 HA ASN 26 -20.167 -26.317 -1.675 229 HB2 ASN 26 1HB ASN 26 -19.939 -27.847 -3.885 230 HB3 ASN 26 2HB ASN 26 -19.505 -26.284 -4.569 231 HD21 ASN 26 2HD2 ASN 26 -18.477 -28.934 -2.717 232 HD22 ASN 26 1HD2 ASN 26 -16.918 -28.328 -2.283 233 H PHE 27 H PHE 27 -20.248 -24.240 -1.042 234 HA PHE 27 HA PHE 27 -20.078 -22.169 -3.081 235 HB2 PHE 27 1HB PHE 27 -22.548 -22.665 -2.127 236 HB3 PHE 27 2HB PHE 27 -21.984 -21.549 -0.888 237 HD1 PHE 27 HD2 PHE 27 -21.590 -21.710 -4.604 238 HD2 PHE 27 HD1 PHE 27 -22.833 -19.451 -1.217 239 HE1 PHE 27 HE2 PHE 27 -22.130 -19.811 -6.073 240 HE2 PHE 27 HE1 PHE 27 -23.376 -17.550 -2.681 241 HZ PHE 27 HZ PHE 27 -23.025 -17.729 -5.111 242 HA PRO 28 HA PRO 28 -17.499 -21.592 0.841 243 HB2 PRO 28 1HB PRO 28 -15.054 -21.829 -0.307 244 HB3 PRO 28 2HB PRO 28 -15.952 -23.210 0.330 245 HG2 PRO 28 1HG PRO 28 -15.692 -22.261 -2.497 246 HG3 PRO 28 2HG PRO 28 -15.630 -23.915 -1.862 247 HD2 PRO 28 1HD PRO 28 -17.841 -22.876 -3.037 248 HD3 PRO 28 2HD PRO 28 -17.918 -24.091 -1.746 249 H VAL 29 H VAL 29 -17.980 -19.425 1.000 250 HA VAL 29 HA VAL 29 -16.771 -17.587 -0.944 251 HB VAL 29 HB VAL 29 -18.791 -16.914 1.198 252 HG11 VAL 29 1HG1 VAL 29 -19.141 -15.067 -0.705 253 HG12 VAL 29 2HG1 VAL 29 -17.428 -15.407 -0.952 254 HG13 VAL 29 3HG1 VAL 29 -18.002 -14.871 0.627 255 HG21 VAL 29 3HG2 VAL 29 -19.309 -18.551 -0.927 256 HG22 VAL 29 1HG2 VAL 29 -19.714 -16.966 -1.582 257 HG23 VAL 29 2HG2 VAL 29 -20.501 -17.539 -0.114 258 H ARG 30 H ARG 30 -15.344 -15.997 -0.356 259 HA ARG 30 HA ARG 30 -14.487 -15.913 2.459 260 HB2 ARG 30 1HB ARG 30 -12.533 -15.631 0.188 261 HB3 ARG 30 2HB ARG 30 -12.199 -15.925 1.886 262 HG2 ARG 30 1HG ARG 30 -12.338 -18.134 1.648 263 HG3 ARG 30 2HG ARG 30 -13.802 -18.031 0.669 264 HD2 ARG 30 1HD ARG 30 -12.558 -17.665 -1.313 265 HD3 ARG 30 2HD ARG 30 -11.068 -17.387 -0.411 266 HE ARG 30 HE ARG 30 -11.747 -19.922 0.263 267 HH11 ARG 30 1HH1 ARG 30 -11.319 -18.291 -2.806 268 HH12 ARG 30 2HH1 ARG 30 -10.812 -19.722 -3.637 269 HH21 ARG 30 1HH2 ARG 30 -11.077 -21.807 -0.837 270 HH22 ARG 30 2HH2 ARG 30 -10.676 -21.719 -2.520 271 H GLN 31 H GLN 31 -13.194 -13.919 2.951 272 HA GLN 31 HA GLN 31 -14.232 -11.631 1.418 273 HB2 GLN 31 1HB GLN 31 -14.729 -12.197 4.047 274 HB3 GLN 31 2HB GLN 31 -13.345 -11.120 4.174 275 HG2 GLN 31 1HG GLN 31 -14.480 -9.345 3.169 276 HG3 GLN 31 2HG GLN 31 -15.726 -10.400 2.507 277 HE21 GLN 31 2HE2 GLN 31 -16.675 -11.802 4.519 278 HE22 GLN 31 1HE2 GLN 31 -17.294 -10.793 5.776 279 H TRP 32 H TRP 32 -12.874 -9.708 1.410 280 HA TRP 32 HA TRP 32 -10.101 -9.944 2.115 281 HB2 TRP 32 1HB TRP 32 -9.346 -9.525 -0.292 282 HB3 TRP 32 2HB TRP 32 -9.840 -11.163 0.115 283 HD1 TRP 32 HD1 TRP 32 -12.645 -11.580 -0.526 284 HE1 TRP 32 HE1 TRP 32 -13.776 -10.989 -2.757 285 HE3 TRP 32 HE3 TRP 32 -9.298 -8.117 -2.240 286 HZ2 TRP 32 HZ2 TRP 32 -13.309 -9.284 -4.960 287 HZ3 TRP 32 HZ3 TRP 32 -9.714 -7.054 -4.420 288 HH2 TRP 32 HH2 TRP 32 -11.679 -7.628 -5.750 289 H SER 33 H SER 33 -9.055 -7.991 2.206 290 HA SER 33 HA SER 33 -10.376 -5.622 1.111 291 HB2 SER 33 1HB SER 33 -9.410 -5.370 3.913 292 HB3 SER 33 2HB SER 33 -10.757 -4.564 3.110 293 HG SER 33 HG SER 33 -10.658 -7.136 4.264 294 H ILE 34 H ILE 34 -8.968 -4.126 0.370 295 HA ILE 34 HA ILE 34 -6.229 -4.099 1.363 296 HB ILE 34 HB ILE 34 -6.186 -5.690 -0.521 297 HG12 ILE 34 1HG1 ILE 34 -4.478 -4.271 -1.934 298 HG13 ILE 34 2HG1 ILE 34 -4.726 -3.076 -0.666 299 HG21 ILE 34 1HG2 ILE 34 -8.049 -4.162 -1.705 300 HG22 ILE 34 2HG2 ILE 34 -7.019 -5.294 -2.582 301 HG23 ILE 34 3HG2 ILE 34 -6.610 -3.579 -2.540 302 HD11 ILE 34 3HD1 ILE 34 -4.267 -5.289 0.812 303 HD12 ILE 34 1HD1 ILE 34 -3.025 -4.139 0.319 304 HD13 ILE 34 2HD1 ILE 34 -3.274 -5.618 -0.608 305 H GLU 35 H GLU 35 -5.634 -2.068 1.711 306 HA GLU 35 HA GLU 35 -6.666 0.043 -0.052 307 HB2 GLU 35 1HB GLU 35 -7.022 1.520 1.846 308 HB3 GLU 35 2HB GLU 35 -7.983 0.060 2.017 309 HG2 GLU 35 1HG GLU 35 -7.057 -0.393 3.975 310 HG3 GLU 35 2HG GLU 35 -5.439 -0.294 3.287 311 H ILE 36 H ILE 36 -5.257 1.650 -0.573 312 HA ILE 36 HA ILE 36 -2.561 1.526 0.616 313 HB ILE 36 HB ILE 36 -3.155 2.118 -2.287 314 HG12 ILE 36 1HG1 ILE 36 -1.641 -0.308 -1.793 315 HG13 ILE 36 2HG1 ILE 36 -3.223 -0.384 -1.027 316 HG21 ILE 36 1HG2 ILE 36 -0.468 1.279 -1.433 317 HG22 ILE 36 2HG2 ILE 36 -0.988 2.865 -0.862 318 HG23 ILE 36 3HG2 ILE 36 -0.964 2.515 -2.590 319 HD11 ILE 36 3HD1 ILE 36 -2.518 -0.674 -3.787 320 HD12 ILE 36 1HD1 ILE 36 -3.682 0.634 -3.583 321 HD13 ILE 36 2HD1 ILE 36 -4.057 -0.980 -2.982 322 H VAL 37 H VAL 37 -2.253 3.351 1.733 323 HA VAL 37 HA VAL 37 -3.186 5.887 0.548 324 HB VAL 37 HB VAL 37 -3.449 6.775 2.842 325 HG11 VAL 37 1HG1 VAL 37 -5.058 4.349 2.076 326 HG12 VAL 37 2HG1 VAL 37 -5.430 6.046 1.766 327 HG13 VAL 37 3HG1 VAL 37 -5.494 5.413 3.412 328 HG21 VAL 37 3HG2 VAL 37 -1.860 5.084 3.864 329 HG22 VAL 37 1HG2 VAL 37 -3.200 3.937 3.814 330 HG23 VAL 37 2HG2 VAL 37 -3.337 5.412 4.770 331 H LEU 38 H LEU 38 -1.934 7.794 1.085 332 HA LEU 38 HA LEU 38 0.577 7.662 2.378 333 HB2 LEU 38 1HB LEU 38 1.862 8.157 0.155 334 HB3 LEU 38 2HB LEU 38 1.559 6.504 0.655 335 HG LEU 38 HG LEU 38 -0.644 7.337 -0.949 336 HD11 LEU 38 1HD1 LEU 38 1.936 8.414 -1.812 337 HD12 LEU 38 2HD1 LEU 38 0.298 8.855 -2.292 338 HD13 LEU 38 3HD1 LEU 38 1.091 7.467 -3.035 339 HD21 LEU 38 3HD2 LEU 38 -0.360 5.293 -1.812 340 HD22 LEU 38 1HD2 LEU 38 0.843 5.091 -0.539 341 HD23 LEU 38 2HD2 LEU 38 1.347 5.564 -2.162 342 H LEU 39 H LEU 39 1.962 9.671 1.787 343 HA LEU 39 HA LEU 39 0.120 11.946 1.636 344 HB2 LEU 39 1HB LEU 39 3.012 11.949 2.487 345 HB3 LEU 39 2HB LEU 39 1.864 13.261 2.661 346 HG LEU 39 HG LEU 39 1.790 10.621 4.125 347 HD11 LEU 39 1HD1 LEU 39 2.580 13.407 4.884 348 HD12 LEU 39 2HD1 LEU 39 3.435 11.890 5.158 349 HD13 LEU 39 3HD1 LEU 39 1.990 12.268 6.095 350 HD21 LEU 39 3HD2 LEU 39 -0.083 12.978 4.323 351 HD22 LEU 39 1HD2 LEU 39 -0.117 11.534 5.334 352 HD23 LEU 39 2HD2 LEU 39 -0.467 11.413 3.610 353 H ASP 40 H ASP 40 0.980 13.944 0.591 354 HA ASP 40 HA ASP 40 2.936 13.741 -1.474 355 HB2 ASP 40 1HB ASP 40 1.021 12.484 -2.496 356 HB3 ASP 40 2HB ASP 40 0.054 13.952 -2.373 357 H ASP 41 H ASP 41 -0.042 15.422 -0.496 358 HA ASP 41 HA ASP 41 0.890 17.977 -1.416 359 HB2 ASP 41 1HB ASP 41 -1.558 17.115 -1.190 360 HB3 ASP 41 2HB ASP 41 -1.398 17.617 0.491 361 H GLU 42 H GLU 42 1.527 16.167 1.367 362 HA GLU 42 HA GLU 42 1.998 18.568 2.995 363 HB2 GLU 42 1HB GLU 42 1.576 15.676 3.619 364 HB3 GLU 42 2HB GLU 42 2.517 16.652 4.740 365 HG2 GLU 42 1HG GLU 42 0.641 17.385 5.646 366 HG3 GLU 42 2HG GLU 42 0.212 18.136 4.110 367 H GLY 43 H GLY 43 3.597 15.751 1.595 368 HA2 GLY 43 1HA GLY 43 6.186 16.795 2.519 369 HA3 GLY 43 2HA GLY 43 5.882 15.140 2.018 370 H LYS 44 H LYS 44 5.188 18.281 0.485 371 HA LYS 44 HA LYS 44 5.706 19.142 -1.540 372 HB2 LYS 44 1HB LYS 44 8.092 17.662 -0.731 373 HB3 LYS 44 2HB LYS 44 7.942 17.839 -2.471 374 HG2 LYS 44 1HG LYS 44 7.842 20.223 -2.286 375 HG3 LYS 44 2HG LYS 44 7.775 20.124 -0.526 376 HD2 LYS 44 1HD LYS 44 9.996 20.439 -0.638 377 HD3 LYS 44 2HD LYS 44 10.050 18.728 -1.064 378 HE2 LYS 44 1HE LYS 44 9.633 20.752 -3.217 379 HE3 LYS 44 2HE LYS 44 11.251 20.523 -2.554 380 HZ1 LYS 44 3HZ LYS 44 11.155 19.060 -4.338 381 HZ2 LYS 44 1HZ LYS 44 9.566 18.581 -4.011 382 HZ3 LYS 44 2HZ LYS 44 10.829 18.055 -3.017 383 H GLU 45 H GLU 45 4.483 18.743 -3.252 384 HA GLU 45 HA GLU 45 4.056 15.993 -4.113 385 HB2 GLU 45 1HB GLU 45 2.273 16.952 -5.532 386 HB3 GLU 45 2HB GLU 45 2.082 17.365 -3.836 387 HG2 GLU 45 1HG GLU 45 1.867 19.477 -4.459 388 HG3 GLU 45 2HG GLU 45 3.570 19.459 -4.901 389 H ILE 46 H ILE 46 6.654 17.197 -4.643 390 HA ILE 46 HA ILE 46 6.634 17.098 -7.584 391 HB ILE 46 HB ILE 46 8.555 18.748 -5.940 392 HG12 ILE 46 1HG1 ILE 46 6.733 20.230 -7.672 393 HG13 ILE 46 2HG1 ILE 46 5.878 19.355 -6.409 394 HG21 ILE 46 1HG2 ILE 46 8.046 18.566 -8.903 395 HG22 ILE 46 2HG2 ILE 46 9.489 18.040 -8.036 396 HG23 ILE 46 3HG2 ILE 46 9.096 19.756 -8.135 397 HD11 ILE 46 3HD1 ILE 46 8.221 20.769 -5.426 398 HD12 ILE 46 1HD1 ILE 46 6.561 20.765 -4.832 399 HD13 ILE 46 2HD1 ILE 46 7.018 21.828 -6.163 400 HA PRO 47 HA PRO 47 9.474 13.721 -6.875 401 HB2 PRO 47 1HB PRO 47 10.190 13.279 -9.443 402 HB3 PRO 47 2HB PRO 47 8.603 12.824 -8.812 403 HG2 PRO 47 1HG PRO 47 9.385 15.227 -10.420 404 HG3 PRO 47 2HG PRO 47 7.963 14.181 -10.591 405 HD2 PRO 47 1HD PRO 47 7.887 16.592 -9.339 406 HD3 PRO 47 2HD PRO 47 6.824 15.241 -8.901 407 H ALA 48 H ALA 48 11.737 13.234 -7.038 408 HA ALA 48 HA ALA 48 13.425 15.562 -7.703 409 HB1 ALA 48 3HB ALA 48 14.966 14.747 -5.893 410 HB2 ALA 48 1HB ALA 48 13.689 13.634 -5.403 411 HB3 ALA 48 2HB ALA 48 13.416 15.374 -5.333 412 H THR 49 H THR 49 14.142 12.173 -6.832 413 HA THR 49 HA THR 49 15.752 11.993 -9.290 414 HB THR 49 HB THR 49 15.997 10.275 -6.811 415 HG1 THR 49 HG1 THR 49 17.348 12.638 -7.578 416 HG21 THR 49 3HG2 THR 49 18.297 10.667 -8.588 417 HG22 THR 49 1HG2 THR 49 16.980 9.703 -9.254 418 HG23 THR 49 2HG2 THR 49 17.742 9.224 -7.738 419 H ILE 50 H ILE 50 13.881 9.816 -7.147 420 HA ILE 50 HA ILE 50 12.920 8.464 -9.580 421 HB ILE 50 HB ILE 50 13.440 7.190 -6.887 422 HG12 ILE 50 1HG1 ILE 50 14.808 6.747 -9.550 423 HG13 ILE 50 2HG1 ILE 50 15.475 7.700 -8.227 424 HG21 ILE 50 1HG2 ILE 50 11.753 5.854 -7.598 425 HG22 ILE 50 2HG2 ILE 50 13.044 5.117 -8.544 426 HG23 ILE 50 3HG2 ILE 50 11.968 6.297 -9.291 427 HD11 ILE 50 3HD1 ILE 50 15.845 5.831 -6.906 428 HD12 ILE 50 1HD1 ILE 50 16.259 5.276 -8.527 429 HD13 ILE 50 2HD1 ILE 50 14.704 4.840 -7.817 430 H PHE 51 H PHE 51 11.877 8.016 -6.208 431 HA PHE 51 HA PHE 51 9.845 8.141 -5.226 432 HB2 PHE 51 1HB PHE 51 10.161 10.492 -5.256 433 HB3 PHE 51 2HB PHE 51 9.789 10.595 -6.969 434 HD1 PHE 51 HD1 PHE 51 7.946 8.897 -4.202 435 HD2 PHE 51 HD2 PHE 51 7.940 11.983 -7.137 436 HE1 PHE 51 HE1 PHE 51 5.604 9.413 -3.651 437 HE2 PHE 51 HE2 PHE 51 5.599 12.500 -6.589 438 HZ PHE 51 HZ PHE 51 4.427 11.216 -4.847 439 H ASP 52 H ASP 52 8.807 6.322 -5.839 440 HA ASP 52 HA ASP 52 6.520 6.561 -7.495 441 HB2 ASP 52 1HB ASP 52 8.697 6.087 -9.029 442 HB3 ASP 52 2HB ASP 52 8.256 4.432 -8.615 443 H LYS 53 H LYS 53 5.068 5.382 -6.456 444 HA LYS 53 HA LYS 53 5.987 2.999 -4.994 445 HB2 LYS 53 1HB LYS 53 3.492 4.628 -4.489 446 HB3 LYS 53 2HB LYS 53 4.101 3.305 -3.510 447 HG2 LYS 53 1HG LYS 53 4.848 5.057 -2.276 448 HG3 LYS 53 2HG LYS 53 6.233 4.845 -3.348 449 HD2 LYS 53 1HD LYS 53 5.772 7.165 -3.317 450 HD3 LYS 53 2HD LYS 53 5.162 6.570 -4.860 451 HE2 LYS 53 1HE LYS 53 2.942 6.282 -3.435 452 HE3 LYS 53 2HE LYS 53 3.686 7.562 -2.480 453 HZ1 LYS 53 3HZ LYS 53 3.991 8.453 -5.017 454 HZ2 LYS 53 1HZ LYS 53 2.749 8.918 -3.968 455 HZ3 LYS 53 2HZ LYS 53 2.488 7.688 -5.094 456 H VAL 54 H VAL 54 5.415 1.102 -5.802 457 HA VAL 54 HA VAL 54 2.982 0.954 -7.467 458 HB VAL 54 HB VAL 54 5.361 -0.864 -7.797 459 HG11 VAL 54 1HG1 VAL 54 2.769 -0.925 -8.808 460 HG12 VAL 54 2HG1 VAL 54 4.153 -1.860 -9.376 461 HG13 VAL 54 3HG1 VAL 54 3.758 -0.318 -10.135 462 HG21 VAL 54 3HG2 VAL 54 6.463 0.996 -8.463 463 HG22 VAL 54 1HG2 VAL 54 4.979 1.902 -8.769 464 HG23 VAL 54 2HG2 VAL 54 5.557 0.729 -9.952 465 H ILE 55 H ILE 55 1.433 -0.158 -6.494 466 HA ILE 55 HA ILE 55 2.127 -2.149 -4.473 467 HB ILE 55 HB ILE 55 -0.652 -1.247 -5.205 468 HG12 ILE 55 1HG1 ILE 55 0.018 0.015 -2.827 469 HG13 ILE 55 2HG1 ILE 55 1.464 0.210 -3.812 470 HG21 ILE 55 1HG2 ILE 55 -0.769 -1.851 -2.609 471 HG22 ILE 55 2HG2 ILE 55 0.567 -2.903 -3.076 472 HG23 ILE 55 3HG2 ILE 55 -0.995 -3.053 -3.879 473 HD11 ILE 55 3HD1 ILE 55 -0.111 1.049 -5.635 474 HD12 ILE 55 1HD1 ILE 55 0.181 2.101 -4.252 475 HD13 ILE 55 2HD1 ILE 55 -1.315 1.178 -4.355 476 H TYR 56 H TYR 56 1.387 -4.269 -4.507 477 HA TYR 56 HA TYR 56 0.162 -5.240 -6.981 478 HB2 TYR 56 1HB TYR 56 2.541 -5.535 -7.329 479 HB3 TYR 56 2HB TYR 56 2.712 -6.313 -5.760 480 HD1 TYR 56 HD1 TYR 56 1.142 -6.707 -9.103 481 HD2 TYR 56 HD2 TYR 56 2.447 -8.633 -5.542 482 HE1 TYR 56 HE1 TYR 56 0.769 -8.898 -10.156 483 HE2 TYR 56 HE2 TYR 56 2.079 -10.827 -6.585 484 HH TYR 56 HH TYR 56 0.381 -11.596 -8.690 485 H HIS 57 H HIS 57 -1.349 -6.758 -6.650 486 HA HIS 57 HA HIS 57 -1.312 -8.406 -4.269 487 HB2 HIS 57 1HB HIS 57 -3.642 -7.741 -3.633 488 HB3 HIS 57 2HB HIS 57 -2.439 -6.490 -3.363 489 HD1 HIS 57 HD1 HIS 57 -2.355 -4.616 -5.371 490 HD2 HIS 57 HD2 HIS 57 -5.807 -6.905 -5.033 491 HE1 HIS 57 HE1 HIS 57 -4.131 -3.341 -6.611 492 HE2 HIS 57 HE2 HIS 57 -6.181 -4.799 -6.488 493 H LEU 58 H LEU 58 -2.440 -10.292 -4.484 494 HA LEU 58 HA LEU 58 -3.661 -11.961 -5.436 495 HB2 LEU 58 1HB LEU 58 -4.974 -9.645 -6.336 496 HB3 LEU 58 2HB LEU 58 -4.740 -10.636 -7.763 497 HG LEU 58 HG LEU 58 -5.723 -12.522 -6.152 498 HD11 LEU 58 1HD1 LEU 58 -7.575 -11.500 -4.819 499 HD12 LEU 58 2HD1 LEU 58 -6.806 -9.932 -5.064 500 HD13 LEU 58 3HD1 LEU 58 -5.958 -11.203 -4.183 501 HD21 LEU 58 3HD2 LEU 58 -6.955 -12.354 -8.030 502 HD22 LEU 58 1HD2 LEU 58 -6.933 -10.590 -8.018 503 HD23 LEU 58 2HD2 LEU 58 -8.061 -11.465 -6.984 504 H HIS 59 H HIS 59 -3.886 -13.123 -7.656 505 HA HIS 59 HA HIS 59 -1.378 -13.761 -8.609 506 HB2 HIS 59 1HB HIS 59 -2.627 -14.744 -10.605 507 HB3 HIS 59 2HB HIS 59 -3.125 -15.305 -9.012 508 HD1 HIS 59 HD1 HIS 59 -5.339 -15.947 -10.503 509 HD2 HIS 59 HD2 HIS 59 -4.693 -11.923 -9.696 510 HE1 HIS 59 HE1 HIS 59 -7.552 -14.816 -10.894 511 HE2 HIS 59 HE2 HIS 59 -7.149 -12.390 -10.343 512 HA PRO 60 HA PRO 60 -0.298 -10.539 -11.445 513 HB2 PRO 60 1HB PRO 60 1.484 -11.809 -13.010 514 HB3 PRO 60 2HB PRO 60 1.813 -11.369 -11.335 515 HG2 PRO 60 1HG PRO 60 1.069 -14.016 -12.487 516 HG3 PRO 60 2HG PRO 60 2.215 -13.642 -11.189 517 HD2 PRO 60 1HD PRO 60 -0.350 -14.567 -10.784 518 HD3 PRO 60 2HD PRO 60 0.586 -13.645 -9.594 519 H THR 61 H THR 61 -2.237 -13.067 -12.400 520 HA THR 61 HA THR 61 -2.115 -12.723 -15.236 521 HB THR 61 HB THR 61 -2.877 -14.827 -14.305 522 HG1 THR 61 HG1 THR 61 -4.024 -14.905 -16.039 523 HG21 THR 61 3HG2 THR 61 -4.646 -13.154 -12.715 524 HG22 THR 61 1HG2 THR 61 -4.067 -14.796 -12.434 525 HG23 THR 61 2HG2 THR 61 -5.459 -14.518 -13.480 526 H PHE 62 H PHE 62 -2.918 -10.483 -13.078 527 HA PHE 62 HA PHE 62 -5.474 -9.595 -14.002 528 HB2 PHE 62 1HB PHE 62 -3.742 -8.967 -11.877 529 HB3 PHE 62 2HB PHE 62 -3.867 -7.493 -12.828 530 HD1 PHE 62 HD1 PHE 62 -5.995 -6.339 -13.064 531 HD2 PHE 62 HD2 PHE 62 -5.640 -9.856 -10.692 532 HE1 PHE 62 HE1 PHE 62 -8.154 -5.836 -12.001 533 HE2 PHE 62 HE2 PHE 62 -7.801 -9.357 -9.625 534 HZ PHE 62 HZ PHE 62 -9.061 -7.345 -10.280 535 H ALA 63 H ALA 63 -5.756 -7.377 -14.949 536 HA ALA 63 HA ALA 63 -4.284 -7.200 -17.397 537 HB1 ALA 63 3HB ALA 63 -6.629 -5.835 -16.218 538 HB2 ALA 63 1HB ALA 63 -6.415 -6.552 -17.814 539 HB3 ALA 63 2HB ALA 63 -5.735 -4.961 -17.462 540 H ASN 64 H ASN 64 -4.315 -5.391 -14.361 541 HA ASN 64 HA ASN 64 -1.710 -4.350 -14.833 542 HB2 ASN 64 1HB ASN 64 -3.193 -2.853 -16.257 543 HB3 ASN 64 2HB ASN 64 -3.893 -2.268 -14.751 544 HD21 ASN 64 2HD2 ASN 64 -3.091 -0.378 -14.204 545 HD22 ASN 64 1HD2 ASN 64 -1.452 0.130 -14.403 546 HA PRO 65 HA PRO 65 -2.129 -4.425 -10.390 547 HB2 PRO 65 1HB PRO 65 0.346 -3.552 -9.747 548 HB3 PRO 65 2HB PRO 65 0.052 -5.173 -10.389 549 HG2 PRO 65 1HG PRO 65 1.005 -2.716 -11.814 550 HG3 PRO 65 2HG PRO 65 1.604 -4.381 -11.934 551 HD2 PRO 65 1HD PRO 65 -0.082 -3.289 -13.758 552 HD3 PRO 65 2HD PRO 65 -0.083 -5.018 -13.364 553 H ASN 66 H ASN 66 -1.175 -2.764 -8.557 554 HA ASN 66 HA ASN 66 -2.586 -0.287 -9.105 555 HB2 ASN 66 1HB ASN 66 -1.976 -1.866 -6.755 556 HB3 ASN 66 2HB ASN 66 -1.561 -0.173 -6.503 557 HD21 ASN 66 2HD2 ASN 66 -3.133 1.015 -5.700 558 HD22 ASN 66 1HD2 ASN 66 -4.824 0.739 -5.907 559 H ARG 67 H ARG 67 -1.721 1.759 -9.015 560 HA ARG 67 HA ARG 67 1.199 1.994 -8.765 561 HB2 ARG 67 1HB ARG 67 -0.418 3.437 -10.871 562 HB3 ARG 67 2HB ARG 67 1.329 3.429 -10.689 563 HG2 ARG 67 1HG ARG 67 -0.302 0.987 -11.348 564 HG3 ARG 67 2HG ARG 67 0.466 2.024 -12.551 565 HD2 ARG 67 1HD ARG 67 1.907 0.580 -10.331 566 HD3 ARG 67 2HD ARG 67 1.801 0.025 -11.999 567 HE ARG 67 HE ARG 67 3.016 2.628 -11.368 568 HH11 ARG 67 1HH1 ARG 67 3.297 -0.600 -12.723 569 HH12 ARG 67 2HH1 ARG 67 4.831 -0.284 -13.457 570 HH21 ARG 67 1HH2 ARG 67 5.045 3.020 -12.332 571 HH22 ARG 67 2HH2 ARG 67 5.821 1.763 -13.235 572 H THR 68 H THR 68 1.952 3.966 -7.950 573 HA THR 68 HA THR 68 -0.062 5.946 -7.178 574 HB THR 68 HB THR 68 1.909 5.685 -5.087 575 HG1 THR 68 HG1 THR 68 1.933 3.490 -5.599 576 HG21 THR 68 3HG2 THR 68 -0.026 6.807 -4.509 577 HG22 THR 68 1HG2 THR 68 -0.220 5.233 -3.739 578 HG23 THR 68 2HG2 THR 68 -1.072 5.590 -5.241 579 H PHE 69 H PHE 69 0.540 7.820 -7.962 580 HA PHE 69 HA PHE 69 3.150 8.896 -7.498 581 HB2 PHE 69 1HB PHE 69 3.722 9.270 -9.892 582 HB3 PHE 69 2HB PHE 69 3.752 7.577 -9.428 583 HD1 PHE 69 HD2 PHE 69 1.366 6.368 -9.805 584 HD2 PHE 69 HD1 PHE 69 2.797 9.773 -11.920 585 HE1 PHE 69 HE2 PHE 69 -0.153 5.848 -11.664 586 HE2 PHE 69 HE1 PHE 69 1.281 9.255 -13.784 587 HZ PHE 69 HZ PHE 69 -0.199 7.292 -13.658 588 H THR 70 H THR 70 0.171 9.190 -9.415 589 HA THR 70 HA THR 70 -0.094 11.951 -8.494 590 HB THR 70 HB THR 70 0.980 12.002 -10.736 591 HG1 THR 70 HG1 THR 70 -0.097 13.793 -10.713 592 HG21 THR 70 3HG2 THR 70 0.174 11.053 -12.604 593 HG22 THR 70 1HG2 THR 70 -1.508 11.246 -12.112 594 HG23 THR 70 2HG2 THR 70 -0.545 9.921 -11.457 595 H ASP 71 H ASP 71 -1.403 9.368 -7.861 596 HA ASP 71 HA ASP 71 -4.168 10.121 -8.540 597 HB2 ASP 71 1HB ASP 71 -2.846 7.425 -8.571 598 HB3 ASP 71 2HB ASP 71 -4.574 7.553 -8.260 599 HA PRO 72 HA PRO 72 -5.052 10.048 -4.212 600 HB2 PRO 72 1HB PRO 72 -7.607 9.137 -4.159 601 HB3 PRO 72 2HB PRO 72 -7.181 10.746 -4.751 602 HG2 PRO 72 1HG PRO 72 -7.738 8.247 -6.300 603 HG3 PRO 72 2HG PRO 72 -8.289 9.903 -6.614 604 HD2 PRO 72 1HD PRO 72 -6.210 8.782 -7.938 605 HD3 PRO 72 2HD PRO 72 -6.294 10.517 -7.583 606 HA PRO 73 HA PRO 73 -4.443 6.085 -2.346 607 HB2 PRO 73 1HB PRO 73 -6.191 6.064 -0.242 608 HB3 PRO 73 2HB PRO 73 -4.676 6.972 -0.251 609 HG2 PRO 73 1HG PRO 73 -7.459 7.924 -0.809 610 HG3 PRO 73 2HG PRO 73 -6.180 8.699 0.145 611 HD2 PRO 73 1HD PRO 73 -6.740 9.473 -2.368 612 HD3 PRO 73 2HD PRO 73 -5.082 9.487 -1.736 613 H PHE 74 H PHE 74 -5.314 3.964 -2.027 614 HA PHE 74 HA PHE 74 -7.908 3.553 -3.365 615 HB2 PHE 74 1HB PHE 74 -5.301 2.329 -3.747 616 HB3 PHE 74 2HB PHE 74 -6.542 1.123 -3.427 617 HD1 PHE 74 HD1 PHE 74 -6.321 4.288 -5.403 618 HD2 PHE 74 HD2 PHE 74 -7.413 0.176 -5.316 619 HE1 PHE 74 HE1 PHE 74 -7.064 4.439 -7.742 620 HE2 PHE 74 HE2 PHE 74 -8.158 0.319 -7.655 621 HZ PHE 74 HZ PHE 74 -7.984 2.454 -8.872 622 H ARG 75 H ARG 75 -9.183 1.709 -2.669 623 HA ARG 75 HA ARG 75 -8.638 0.269 -0.297 624 HB2 ARG 75 1HB ARG 75 -9.054 2.514 0.702 625 HB3 ARG 75 2HB ARG 75 -10.668 2.491 0.006 626 HG2 ARG 75 1HG ARG 75 -11.470 1.092 1.571 627 HG3 ARG 75 2HG ARG 75 -9.976 0.156 1.653 628 HD2 ARG 75 1HD ARG 75 -8.981 1.640 3.146 629 HD3 ARG 75 2HD ARG 75 -10.099 2.942 2.747 630 HE ARG 75 HE ARG 75 -11.578 2.105 4.284 631 HH11 ARG 75 1HH1 ARG 75 -9.116 -0.307 3.660 632 HH12 ARG 75 2HH1 ARG 75 -9.625 -1.344 4.949 633 HH21 ARG 75 1HH2 ARG 75 -12.246 0.734 5.985 634 HH22 ARG 75 2HH2 ARG 75 -11.406 -0.753 6.269 635 H ILE 76 H ILE 76 -9.450 -1.571 -1.146 636 HA ILE 76 HA ILE 76 -12.281 -1.543 -1.973 637 HB ILE 76 HB ILE 76 -10.195 -3.375 -3.155 638 HG12 ILE 76 1HG1 ILE 76 -10.849 -1.790 -5.227 639 HG13 ILE 76 2HG1 ILE 76 -11.029 -0.624 -3.921 640 HG21 ILE 76 1HG2 ILE 76 -12.833 -2.722 -4.390 641 HG22 ILE 76 2HG2 ILE 76 -12.752 -3.890 -3.071 642 HG23 ILE 76 3HG2 ILE 76 -11.840 -4.170 -4.554 643 HD11 ILE 76 3HD1 ILE 76 -8.576 -2.082 -3.619 644 HD12 ILE 76 1HD1 ILE 76 -8.840 -0.348 -3.799 645 HD13 ILE 76 2HD1 ILE 76 -8.684 -1.370 -5.228 646 H GLU 77 H GLU 77 -13.535 -2.816 -0.776 647 HA GLU 77 HA GLU 77 -12.411 -5.265 0.374 648 HB2 GLU 77 1HB GLU 77 -13.532 -4.805 2.534 649 HB3 GLU 77 2HB GLU 77 -12.258 -3.653 2.167 650 HG2 GLU 77 1HG GLU 77 -14.597 -2.531 1.126 651 HG3 GLU 77 2HG GLU 77 -15.044 -3.194 2.695 652 H GLU 78 H GLU 78 -13.605 -6.879 -0.381 653 HA GLU 78 HA GLU 78 -16.489 -6.783 -0.137 654 HB2 GLU 78 1HB GLU 78 -16.909 -7.372 -2.488 655 HB3 GLU 78 2HB GLU 78 -16.169 -5.784 -2.337 656 HG2 GLU 78 1HG GLU 78 -13.983 -6.798 -2.888 657 HG3 GLU 78 2HG GLU 78 -14.798 -8.339 -3.142 658 H GLN 79 H GLN 79 -17.383 -8.960 -1.198 659 HA GLN 79 HA GLN 79 -15.719 -11.111 -0.079 660 HB2 GLN 79 1HB GLN 79 -18.655 -11.323 -0.707 661 HB3 GLN 79 2HB GLN 79 -17.697 -12.317 0.381 662 HG2 GLN 79 1HG GLN 79 -17.385 -10.005 1.632 663 HG3 GLN 79 2HG GLN 79 -18.900 -9.639 0.811 664 HE21 GLN 79 2HE2 GLN 79 -17.529 -12.491 2.444 665 HE22 GLN 79 1HE2 GLN 79 -18.897 -12.769 3.462 666 H GLY 80 H GLY 80 -15.169 -12.889 -1.273 667 HA2 GLY 80 1HA GLY 80 -16.404 -13.678 -3.684 668 HA3 GLY 80 2HA GLY 80 -15.011 -12.677 -4.062 669 H TRP 81 H TRP 81 -14.536 -14.872 -5.139 670 HA TRP 81 HA TRP 81 -13.158 -16.633 -3.218 671 HB2 TRP 81 1HB TRP 81 -13.969 -17.369 -6.034 672 HB3 TRP 81 2HB TRP 81 -13.444 -18.450 -4.750 673 HD1 TRP 81 HD1 TRP 81 -15.502 -16.967 -2.568 674 HE1 TRP 81 HE1 TRP 81 -17.974 -17.665 -2.671 675 HE3 TRP 81 HE3 TRP 81 -15.603 -18.928 -7.290 676 HZ2 TRP 81 HZ2 TRP 81 -19.738 -18.888 -4.503 677 HZ3 TRP 81 HZ3 TRP 81 -17.724 -19.842 -8.142 678 HH2 TRP 81 HH2 TRP 81 -19.747 -19.821 -6.776 679 H GLY 82 H GLY 82 -11.060 -16.136 -3.129 680 HA2 GLY 82 1HA GLY 82 -9.496 -16.142 -5.580 681 HA3 GLY 82 2HA GLY 82 -9.477 -14.634 -4.676 682 H GLY 83 H GLY 83 -7.820 -14.410 -3.328 683 HA2 GLY 83 1HA GLY 83 -6.518 -15.062 -1.463 684 HA3 GLY 83 2HA GLY 83 -6.870 -16.742 -1.834 685 H PHE 84 H PHE 84 -4.812 -14.011 -2.525 686 HA PHE 84 HA PHE 84 -2.790 -15.815 -3.570 687 HB2 PHE 84 1HB PHE 84 -4.100 -13.672 -5.211 688 HB3 PHE 84 2HB PHE 84 -2.417 -14.090 -5.501 689 HD1 PHE 84 HD1 PHE 84 -1.916 -16.609 -5.908 690 HD2 PHE 84 HD2 PHE 84 -5.783 -14.861 -6.257 691 HE1 PHE 84 HE1 PHE 84 -2.637 -18.490 -7.320 692 HE2 PHE 84 HE2 PHE 84 -6.509 -16.740 -7.670 693 HZ PHE 84 HZ PHE 84 -4.936 -18.558 -8.202 694 HA PRO 85 HA PRO 85 0.164 -13.178 -1.624 695 HB2 PRO 85 1HB PRO 85 1.718 -12.927 -4.127 696 HB3 PRO 85 2HB PRO 85 2.192 -13.621 -2.574 697 HG2 PRO 85 1HG PRO 85 1.712 -15.178 -4.689 698 HG3 PRO 85 2HG PRO 85 1.240 -15.679 -3.054 699 HD2 PRO 85 1HD PRO 85 -0.452 -14.543 -5.251 700 HD3 PRO 85 2HD PRO 85 -0.809 -15.870 -4.125 701 H LEU 86 H LEU 86 1.065 -11.047 -1.488 702 HA LEU 86 HA LEU 86 0.401 -9.087 -3.514 703 HB2 LEU 86 1HB LEU 86 -0.816 -7.628 -1.912 704 HB3 LEU 86 2HB LEU 86 -1.680 -9.092 -2.341 705 HG LEU 86 HG LEU 86 -0.048 -9.051 0.163 706 HD11 LEU 86 1HD1 LEU 86 -2.893 -8.146 0.188 707 HD12 LEU 86 2HD1 LEU 86 -1.590 -6.986 -0.066 708 HD13 LEU 86 3HD1 LEU 86 -1.641 -7.944 1.413 709 HD21 LEU 86 3HD2 LEU 86 -2.295 -10.610 -0.986 710 HD22 LEU 86 1HD2 LEU 86 -2.260 -10.394 0.764 711 HD23 LEU 86 2HD2 LEU 86 -0.896 -11.148 -0.058 712 H ASP 87 H ASP 87 2.088 -7.778 -3.686 713 HA ASP 87 HA ASP 87 3.686 -7.143 -1.291 714 HB2 ASP 87 1HB ASP 87 4.891 -8.790 -2.649 715 HB3 ASP 87 2HB ASP 87 4.722 -7.766 -4.069 716 H ILE 88 H ILE 88 4.555 -5.041 -1.184 717 HA ILE 88 HA ILE 88 3.744 -3.206 -3.339 718 HB ILE 88 HB ILE 88 2.166 -2.987 -1.459 719 HG12 ILE 88 1HG1 ILE 88 2.912 -1.057 -2.959 720 HG13 ILE 88 2HG1 ILE 88 2.117 -0.627 -1.451 721 HG21 ILE 88 1HG2 ILE 88 2.787 -2.971 0.663 722 HG22 ILE 88 2HG2 ILE 88 3.851 -1.592 0.398 723 HG23 ILE 88 3HG2 ILE 88 4.449 -3.229 0.137 724 HD11 ILE 88 3HD1 ILE 88 3.823 0.713 -1.028 725 HD12 ILE 88 1HD1 ILE 88 4.709 0.105 -2.425 726 HD13 ILE 88 2HD1 ILE 88 4.851 -0.709 -0.867 727 H SER 89 H SER 89 5.311 -1.932 -4.075 728 HA SER 89 HA SER 89 7.796 -1.731 -2.502 729 HB2 SER 89 1HB SER 89 8.970 -1.421 -4.635 730 HB3 SER 89 2HB SER 89 8.064 -2.931 -4.638 731 HG SER 89 HG SER 89 6.598 -2.065 -6.009 732 H VAL 90 H VAL 90 8.514 0.231 -1.900 733 HA VAL 90 HA VAL 90 7.121 2.589 -2.991 734 HB VAL 90 HB VAL 90 6.794 1.927 -0.515 735 HG11 VAL 90 1HG1 VAL 90 9.575 3.037 -0.412 736 HG12 VAL 90 2HG1 VAL 90 8.979 1.504 0.221 737 HG13 VAL 90 3HG1 VAL 90 8.497 3.017 0.984 738 HG21 VAL 90 3HG2 VAL 90 7.292 4.596 -1.680 739 HG22 VAL 90 1HG2 VAL 90 7.186 4.504 0.078 740 HG23 VAL 90 2HG2 VAL 90 5.844 3.939 -0.916 741 H PHE 91 H PHE 91 8.284 4.395 -3.559 742 HA PHE 91 HA PHE 91 11.191 4.373 -3.206 743 HB2 PHE 91 1HB PHE 91 9.791 4.724 -5.867 744 HB3 PHE 91 2HB PHE 91 11.485 5.099 -5.590 745 HD1 PHE 91 HD2 PHE 91 12.557 2.934 -4.118 746 HD2 PHE 91 HD1 PHE 91 9.571 2.837 -7.146 747 HE1 PHE 91 HE2 PHE 91 13.156 0.605 -4.625 748 HE2 PHE 91 HE1 PHE 91 10.163 0.505 -7.658 749 HZ PHE 91 HZ PHE 91 11.957 -0.614 -6.397 750 H LEU 92 H LEU 92 12.154 6.452 -3.285 751 HA LEU 92 HA LEU 92 10.311 8.734 -3.389 752 HB2 LEU 92 1HB LEU 92 10.421 8.247 -1.067 753 HB3 LEU 92 2HB LEU 92 12.153 8.002 -1.124 754 HG LEU 92 HG LEU 92 11.220 10.154 -0.044 755 HD11 LEU 92 1HD1 LEU 92 13.361 10.678 -0.106 756 HD12 LEU 92 2HD1 LEU 92 13.196 11.234 -1.768 757 HD13 LEU 92 3HD1 LEU 92 13.606 9.552 -1.437 758 HD21 LEU 92 3HD2 LEU 92 10.354 11.803 -1.301 759 HD22 LEU 92 1HD2 LEU 92 9.943 10.489 -2.403 760 HD23 LEU 92 2HD2 LEU 92 11.396 11.451 -2.677 761 H LEU 93 H LEU 93 13.741 7.767 -3.097 762 HA LEU 93 HA LEU 93 14.404 9.630 -5.213 763 HB2 LEU 93 1HB LEU 93 14.538 11.011 -3.193 764 HB3 LEU 93 2HB LEU 93 15.649 9.865 -2.472 765 HG LEU 93 HG LEU 93 16.689 10.717 -5.008 766 HD11 LEU 93 1HD1 LEU 93 15.162 12.696 -4.351 767 HD12 LEU 93 2HD1 LEU 93 16.826 13.021 -4.833 768 HD13 LEU 93 3HD1 LEU 93 16.387 13.022 -3.125 769 HD21 LEU 93 3HD2 LEU 93 18.628 10.800 -3.850 770 HD22 LEU 93 1HD2 LEU 93 17.691 9.890 -2.665 771 HD23 LEU 93 2HD2 LEU 93 17.903 11.629 -2.473 772 H GLU 94 H GLU 94 16.142 7.809 -2.663 773 HA GLU 94 HA GLU 94 17.137 5.873 -4.508 774 HB2 GLU 94 1HB GLU 94 18.518 8.147 -4.753 775 HB3 GLU 94 2HB GLU 94 19.369 7.482 -3.366 776 HG2 GLU 94 1HG GLU 94 19.080 5.430 -5.315 777 HG3 GLU 94 2HG GLU 94 19.709 6.874 -6.105 778 H LYS 95 H LYS 95 18.016 7.505 -1.452 779 HA LYS 95 HA LYS 95 17.880 4.897 -0.106 780 HB2 LYS 95 1HB LYS 95 19.900 5.576 1.247 781 HB3 LYS 95 2HB LYS 95 20.220 5.161 -0.430 782 HG2 LYS 95 1HG LYS 95 21.322 7.079 -0.589 783 HG3 LYS 95 2HG LYS 95 19.766 7.901 -0.475 784 HD2 LYS 95 1HD LYS 95 20.313 7.373 2.149 785 HD3 LYS 95 2HD LYS 95 21.925 7.665 1.495 786 HE2 LYS 95 1HE LYS 95 21.259 9.791 2.114 787 HE3 LYS 95 2HE LYS 95 20.832 9.750 0.404 788 HZ1 LYS 95 3HZ LYS 95 18.545 9.063 1.171 789 HZ2 LYS 95 1HZ LYS 95 18.990 10.659 1.520 790 HZ3 LYS 95 2HZ LYS 95 19.024 9.485 2.736 791 H ALA 96 H ALA 96 15.847 6.754 -0.073 792 HA ALA 96 HA ALA 96 16.086 8.085 2.540 793 HB1 ALA 96 3HB ALA 96 13.957 9.250 1.803 794 HB2 ALA 96 1HB ALA 96 14.256 8.560 0.207 795 HB3 ALA 96 2HB ALA 96 15.430 9.662 0.925 796 H GLY 97 H GLY 97 13.783 6.136 0.632 797 HA2 GLY 97 1HA GLY 97 13.065 4.630 2.994 798 HA3 GLY 97 2HA GLY 97 11.789 5.683 2.405 799 H GLU 98 H GLU 98 14.020 4.200 0.167 800 HA GLU 98 HA GLU 98 11.907 2.959 -1.276 801 HB2 GLU 98 1HB GLU 98 14.881 2.506 -1.561 802 HB3 GLU 98 2HB GLU 98 13.646 2.142 -2.758 803 HG2 GLU 98 1HG GLU 98 13.129 4.706 -2.546 804 HG3 GLU 98 2HG GLU 98 14.780 4.771 -1.938 805 H ARG 99 H ARG 99 10.832 1.353 -0.219 806 HA ARG 99 HA ARG 99 12.364 -1.065 0.388 807 HB2 ARG 99 1HB ARG 99 11.725 0.556 2.437 808 HB3 ARG 99 2HB ARG 99 10.237 -0.375 2.339 809 HG2 ARG 99 1HG ARG 99 11.279 -1.813 3.687 810 HG3 ARG 99 2HG ARG 99 12.126 -2.338 2.231 811 HD2 ARG 99 1HD ARG 99 13.833 -0.527 2.763 812 HD3 ARG 99 2HD ARG 99 13.064 -0.418 4.346 813 HE ARG 99 HE ARG 99 13.664 -3.098 3.886 814 HH11 ARG 99 1HH1 ARG 99 15.380 -0.079 4.346 815 HH12 ARG 99 2HH1 ARG 99 16.779 -0.835 5.030 816 HH21 ARG 99 1HH2 ARG 99 15.515 -4.088 4.790 817 HH22 ARG 99 2HH2 ARG 99 16.855 -3.109 5.281 818 H LYS 100 H LYS 100 11.069 -3.003 0.506 819 HA LYS 100 HA LYS 100 8.360 -2.773 -0.597 820 HB2 LYS 100 1HB LYS 100 8.767 -4.606 -2.156 821 HB3 LYS 100 2HB LYS 100 9.859 -3.267 -2.480 822 HG2 LYS 100 1HG LYS 100 11.575 -4.660 -2.357 823 HG3 LYS 100 2HG LYS 100 11.178 -4.989 -0.670 824 HD2 LYS 100 1HD LYS 100 10.948 -7.108 -1.408 825 HD3 LYS 100 2HD LYS 100 9.351 -6.546 -1.905 826 HE2 LYS 100 1HE LYS 100 10.762 -5.822 -4.065 827 HE3 LYS 100 2HE LYS 100 11.740 -7.188 -3.532 828 HZ1 LYS 100 3HZ LYS 100 9.679 -7.481 -5.132 829 HZ2 LYS 100 1HZ LYS 100 8.844 -7.580 -3.662 830 HZ3 LYS 100 2HZ LYS 100 10.099 -8.663 -3.998 831 H ILE 101 H ILE 101 6.896 -4.135 0.319 832 HA ILE 101 HA ILE 101 7.952 -6.245 2.082 833 HB ILE 101 HB ILE 101 7.218 -4.350 3.440 834 HG12 ILE 101 1HG1 ILE 101 5.097 -5.874 4.415 835 HG13 ILE 101 2HG1 ILE 101 6.132 -7.045 3.606 836 HG21 ILE 101 1HG2 ILE 101 4.998 -3.528 3.474 837 HG22 ILE 101 2HG2 ILE 101 4.431 -4.813 2.408 838 HG23 ILE 101 3HG2 ILE 101 5.499 -3.557 1.784 839 HD11 ILE 101 3HD1 ILE 101 7.946 -6.566 5.003 840 HD12 ILE 101 1HD1 ILE 101 6.544 -6.628 6.070 841 HD13 ILE 101 2HD1 ILE 101 7.212 -5.070 5.584 842 HA PRO 102 HA PRO 102 5.045 -8.665 -0.330 843 HB2 PRO 102 1HB PRO 102 6.054 -11.063 0.269 844 HB3 PRO 102 2HB PRO 102 6.935 -9.936 -0.773 845 HG2 PRO 102 1HG PRO 102 7.373 -10.591 2.108 846 HG3 PRO 102 2HG PRO 102 8.564 -10.280 0.833 847 HD2 PRO 102 1HD PRO 102 7.703 -8.434 2.734 848 HD3 PRO 102 2HD PRO 102 8.524 -8.038 1.212 849 H HIS 103 H HIS 103 3.238 -9.964 0.098 850 HA HIS 103 HA HIS 103 2.742 -10.876 2.821 851 HB2 HIS 103 1HB HIS 103 1.353 -8.595 1.527 852 HB3 HIS 103 2HB HIS 103 0.331 -9.743 2.382 853 HD1 HIS 103 HD1 HIS 103 3.289 -7.462 3.007 854 HD2 HIS 103 HD2 HIS 103 0.290 -9.440 5.093 855 HE1 HIS 103 HE1 HIS 103 3.455 -6.629 5.372 856 HE2 HIS 103 HE2 HIS 103 1.540 -7.732 6.579 857 H ASP 104 H ASP 104 0.628 -12.115 2.942 858 HA ASP 104 HA ASP 104 -0.037 -13.373 0.364 859 HB2 ASP 104 1HB ASP 104 0.985 -14.633 2.839 860 HB3 ASP 104 2HB ASP 104 -0.372 -15.454 2.077 861 H LEU 105 H LEU 105 -2.174 -14.182 0.170 862 HA LEU 105 HA LEU 105 -4.011 -13.345 2.314 863 HB2 LEU 105 1HB LEU 105 -3.854 -11.867 0.161 864 HB3 LEU 105 2HB LEU 105 -4.813 -13.144 -0.561 865 HG LEU 105 HG LEU 105 -6.397 -12.762 1.470 866 HD11 LEU 105 1HD1 LEU 105 -5.503 -9.950 1.364 867 HD12 LEU 105 2HD1 LEU 105 -4.513 -11.064 2.306 868 HD13 LEU 105 3HD1 LEU 105 -6.223 -10.867 2.687 869 HD21 LEU 105 3HD2 LEU 105 -6.840 -12.273 -0.950 870 HD22 LEU 105 1HD2 LEU 105 -6.261 -10.634 -0.655 871 HD23 LEU 105 2HD2 LEU 105 -7.689 -11.230 0.191 872 H ASN 106 H ASN 106 -4.341 -15.401 3.103 873 HA ASN 106 HA ASN 106 -6.313 -16.972 1.853 874 HB2 ASN 106 1HB ASN 106 -3.983 -17.491 0.630 875 HB3 ASN 106 2HB ASN 106 -3.828 -18.605 1.984 876 HD21 ASN 106 2HD2 ASN 106 -6.520 -17.560 -0.091 877 HD22 ASN 106 1HD2 ASN 106 -7.015 -19.155 -0.534 878 H PHE 107 H PHE 107 -6.115 -15.885 4.365 879 HA PHE 107 HA PHE 107 -6.125 -18.297 6.018 880 HB2 PHE 107 1HB PHE 107 -4.484 -15.833 6.515 881 HB3 PHE 107 2HB PHE 107 -5.076 -16.787 7.870 882 HD1 PHE 107 HD1 PHE 107 -2.978 -16.894 4.836 883 HD2 PHE 107 HD2 PHE 107 -4.051 -18.823 8.474 884 HE1 PHE 107 HE1 PHE 107 -1.070 -18.424 4.582 885 HE2 PHE 107 HE2 PHE 107 -2.144 -20.357 8.227 886 HZ PHE 107 HZ PHE 107 -0.650 -20.159 6.280 887 H LEU 108 H LEU 108 -7.909 -18.431 7.212 888 HA LEU 108 HA LEU 108 -9.983 -16.589 7.092 889 HB2 LEU 108 1HB LEU 108 -11.032 -17.876 8.890 890 HB3 LEU 108 2HB LEU 108 -10.361 -18.918 7.651 891 HG LEU 108 HG LEU 108 -8.392 -18.545 9.697 892 HD11 LEU 108 1HD1 LEU 108 -11.172 -18.958 10.638 893 HD12 LEU 108 2HD1 LEU 108 -9.808 -18.171 11.430 894 HD13 LEU 108 3HD1 LEU 108 -9.902 -19.930 11.381 895 HD21 LEU 108 3HD2 LEU 108 -9.028 -21.103 9.915 896 HD22 LEU 108 1HD2 LEU 108 -8.142 -20.482 8.524 897 HD23 LEU 108 2HD2 LEU 108 -9.878 -20.770 8.406 898 H GLN 109 H GLN 109 -10.202 -14.662 7.961 899 HA GLN 109 HA GLN 109 -10.132 -12.904 9.385 900 HB2 GLN 109 1HB GLN 109 -9.879 -15.200 11.161 901 HB3 GLN 109 2HB GLN 109 -9.059 -13.780 11.793 902 HG2 GLN 109 1HG GLN 109 -11.884 -13.675 10.799 903 HG3 GLN 109 2HG GLN 109 -11.486 -14.132 12.454 904 HE21 GLN 109 2HE2 GLN 109 -12.120 -11.579 10.358 905 HE22 GLN 109 1HE2 GLN 109 -11.627 -10.281 11.386 906 H GLU 110 H GLU 110 -8.331 -12.512 7.769 907 HA GLU 110 HA GLU 110 -5.662 -12.556 8.930 908 HB2 GLU 110 1HB GLU 110 -5.935 -13.222 6.575 909 HB3 GLU 110 2HB GLU 110 -6.591 -11.637 6.206 910 HG2 GLU 110 1HG GLU 110 -4.538 -10.965 5.729 911 HG3 GLU 110 2HG GLU 110 -4.137 -11.123 7.439 912 H SER 111 H SER 111 -4.582 -10.808 9.594 913 HA SER 111 HA SER 111 -5.643 -8.136 9.115 914 HB2 SER 111 1HB SER 111 -6.471 -9.238 11.364 915 HB3 SER 111 2HB SER 111 -4.851 -8.819 11.924 916 HG SER 111 HG SER 111 -6.294 -7.128 12.345 917 H TYR 112 H TYR 112 -3.715 -8.357 7.715 918 HA TYR 112 HA TYR 112 -1.244 -7.795 9.210 919 HB2 TYR 112 1HB TYR 112 -1.771 -9.567 6.894 920 HB3 TYR 112 2HB TYR 112 -0.301 -8.606 6.815 921 HD1 TYR 112 HD1 TYR 112 -2.109 -11.110 8.862 922 HD2 TYR 112 HD2 TYR 112 1.611 -9.206 8.066 923 HE1 TYR 112 HE1 TYR 112 -0.969 -12.751 10.293 924 HE2 TYR 112 HE2 TYR 112 2.761 -10.841 9.492 925 HH TYR 112 HH TYR 112 2.059 -12.363 11.494 926 H GLU 113 H GLU 113 -0.602 -5.797 8.995 927 HA GLU 113 HA GLU 113 -0.830 -4.437 6.427 928 HB2 GLU 113 1HB GLU 113 -1.965 -2.546 7.268 929 HB3 GLU 113 2HB GLU 113 -2.864 -3.937 7.836 930 HG2 GLU 113 1HG GLU 113 -0.991 -3.366 9.840 931 HG3 GLU 113 2HG GLU 113 -1.659 -1.815 9.336 932 H VAL 114 H VAL 114 0.674 -2.784 6.089 933 HA VAL 114 HA VAL 114 2.760 -2.539 8.164 934 HB VAL 114 HB VAL 114 3.251 -2.471 5.183 935 HG11 VAL 114 1HG1 VAL 114 5.008 -2.291 7.602 936 HG12 VAL 114 2HG1 VAL 114 4.984 -1.276 6.160 937 HG13 VAL 114 3HG1 VAL 114 5.643 -2.910 6.078 938 HG21 VAL 114 3HG2 VAL 114 2.582 -4.716 6.545 939 HG22 VAL 114 1HG2 VAL 114 4.333 -4.707 6.750 940 HG23 VAL 114 2HG2 VAL 114 3.634 -4.683 5.130 941 H GLU 115 H GLU 115 3.829 -0.572 8.374 942 HA GLU 115 HA GLU 115 2.778 1.709 6.857 943 HB2 GLU 115 1HB GLU 115 2.994 1.502 9.862 944 HB3 GLU 115 2HB GLU 115 2.774 3.023 9.008 945 HG2 GLU 115 1HG GLU 115 0.592 2.663 8.687 946 HG3 GLU 115 2HG GLU 115 0.833 0.971 8.265 947 H HIS 116 H HIS 116 4.516 2.429 5.795 948 HA HIS 116 HA HIS 116 7.079 2.598 7.250 949 HB2 HIS 116 1HB HIS 116 6.392 1.651 4.591 950 HB3 HIS 116 2HB HIS 116 7.634 2.896 4.530 951 HD1 HIS 116 HD1 HIS 116 9.788 1.714 4.278 952 HD2 HIS 116 HD2 HIS 116 7.320 -0.158 7.049 953 HE1 HIS 116 HE1 HIS 116 11.153 -0.170 5.228 954 HE2 HIS 116 HE2 HIS 116 9.680 -1.215 6.985 955 H VAL 117 H VAL 117 8.147 4.518 7.379 956 HA VAL 117 HA VAL 117 6.776 6.866 6.237 957 HB VAL 117 HB VAL 117 7.899 8.201 7.987 958 HG11 VAL 117 1HG1 VAL 117 6.236 7.838 9.467 959 HG12 VAL 117 2HG1 VAL 117 6.557 6.108 9.573 960 HG13 VAL 117 3HG1 VAL 117 5.646 6.753 8.208 961 HG21 VAL 117 3HG2 VAL 117 9.026 7.131 9.847 962 HG22 VAL 117 1HG2 VAL 117 9.838 6.718 8.338 963 HG23 VAL 117 2HG2 VAL 117 8.778 5.545 9.117 964 H ILE 118 H ILE 118 7.982 8.561 5.332 965 HA ILE 118 HA ILE 118 10.805 8.034 4.722 966 HB ILE 118 HB ILE 118 8.879 8.977 2.604 967 HG12 ILE 118 1HG1 ILE 118 9.956 6.168 2.916 968 HG13 ILE 118 2HG1 ILE 118 8.328 6.652 3.372 969 HG21 ILE 118 1HG2 ILE 118 11.763 8.198 2.657 970 HG22 ILE 118 2HG2 ILE 118 10.999 9.624 1.958 971 HG23 ILE 118 3HG2 ILE 118 10.829 8.057 1.168 972 HD11 ILE 118 3HD1 ILE 118 8.432 7.536 0.817 973 HD12 ILE 118 1HD1 ILE 118 7.805 5.965 1.314 974 HD13 ILE 118 2HD1 ILE 118 9.464 6.109 0.733 975 H GLN 119 H GLN 119 12.025 9.799 5.070 976 HA GLN 119 HA GLN 119 10.758 12.447 4.885 977 HB2 GLN 119 1HB GLN 119 12.099 13.160 6.853 978 HB3 GLN 119 2HB GLN 119 10.888 11.944 7.230 979 HG2 GLN 119 1HG GLN 119 12.883 10.285 6.865 980 HG3 GLN 119 2HG GLN 119 13.857 11.718 7.188 981 HE21 GLN 119 2HE2 GLN 119 13.796 9.393 8.789 982 HE22 GLN 119 1HE2 GLN 119 13.159 9.829 10.335 983 H ILE 120 H ILE 120 11.856 13.912 3.713 984 HA ILE 120 HA ILE 120 14.740 13.750 3.457 985 HB ILE 120 HB ILE 120 14.558 13.904 0.912 986 HG12 ILE 120 1HG1 ILE 120 12.261 12.171 0.758 987 HG13 ILE 120 2HG1 ILE 120 11.806 13.691 1.520 988 HG21 ILE 120 1HG2 ILE 120 13.800 11.207 1.958 989 HG22 ILE 120 2HG2 ILE 120 15.339 11.952 2.386 990 HG23 ILE 120 3HG2 ILE 120 14.955 11.630 0.695 991 HD11 ILE 120 3HD1 ILE 120 13.161 14.693 -0.516 992 HD12 ILE 120 1HD1 ILE 120 11.461 14.241 -0.651 993 HD13 ILE 120 2HD1 ILE 120 12.714 13.150 -1.244 994 HA PRO 121 HA PRO 121 12.859 18.051 3.273 995 HB2 PRO 121 1HB PRO 121 14.198 19.061 5.408 996 HB3 PRO 121 2HB PRO 121 12.640 18.240 5.551 997 HG2 PRO 121 1HG PRO 121 15.393 17.179 6.052 998 HG3 PRO 121 2HG PRO 121 13.910 16.934 6.991 999 HD2 PRO 121 1HD PRO 121 14.871 15.082 5.256 1000 HD3 PRO 121 2HD PRO 121 13.139 15.286 5.587 1001 H LEU 122 H LEU 122 16.170 16.915 3.835 1002 HA LEU 122 HA LEU 122 17.200 19.232 2.342 1003 HB2 LEU 122 1HB LEU 122 18.177 17.709 4.628 1004 HB3 LEU 122 2HB LEU 122 19.383 17.864 3.365 1005 HG LEU 122 HG LEU 122 18.760 20.404 3.452 1006 HD11 LEU 122 1HD1 LEU 122 17.464 19.286 5.865 1007 HD12 LEU 122 2HD1 LEU 122 17.038 20.695 4.896 1008 HD13 LEU 122 3HD1 LEU 122 18.357 20.794 6.062 1009 HD21 LEU 122 3HD2 LEU 122 20.529 18.786 5.209 1010 HD22 LEU 122 1HD2 LEU 122 20.347 20.501 5.574 1011 HD23 LEU 122 2HD2 LEU 122 20.939 19.995 3.992 1012 H ASN 123 H ASN 123 18.159 15.822 2.806 1013 HA ASN 123 HA ASN 123 18.316 15.515 -0.104 1014 HB2 ASN 123 1HB ASN 123 20.580 15.983 1.321 1015 HB3 ASN 123 2HB ASN 123 20.503 14.228 1.418 1016 HD21 ASN 123 2HD2 ASN 123 22.569 15.512 0.124 1017 HD22 ASN 123 1HD2 ASN 123 22.458 15.207 -1.573 Start of MODEL 2 1 H1 MET 1 1H MET 1 14.686 29.023 0.830 2 H2 MET 1 2H MET 1 14.406 29.157 -0.858 3 H3 MET 1 3H MET 1 14.933 27.666 -0.189 4 HA MET 1 HA MET 1 12.371 29.001 0.398 5 HB2 MET 1 1HB MET 1 13.269 27.079 -1.671 6 HB3 MET 1 2HB MET 1 11.762 26.674 -0.862 7 HG2 MET 1 1HG MET 1 11.980 29.456 -1.775 8 HG3 MET 1 2HG MET 1 11.957 28.240 -3.050 9 HE1 MET 1 3HE MET 1 10.388 30.413 -0.859 10 HE2 MET 1 1HE MET 1 8.784 29.836 -0.411 11 HE3 MET 1 2HE MET 1 9.055 30.534 -2.007 12 H VAL 2 H VAL 2 11.767 28.455 2.400 13 HA VAL 2 HA VAL 2 12.844 26.089 3.678 14 HB VAL 2 HB VAL 2 12.644 28.168 4.969 15 HG11 VAL 2 1HG1 VAL 2 10.255 28.540 3.754 16 HG12 VAL 2 2HG1 VAL 2 10.768 29.380 5.217 17 HG13 VAL 2 3HG1 VAL 2 9.737 27.954 5.334 18 HG21 VAL 2 3HG2 VAL 2 11.541 27.208 6.966 19 HG22 VAL 2 1HG2 VAL 2 12.659 26.090 6.186 20 HG23 VAL 2 2HG2 VAL 2 10.920 25.901 5.959 21 H ALA 3 H ALA 3 11.941 24.164 3.511 22 HA ALA 3 HA ALA 3 9.030 23.906 3.503 23 HB1 ALA 3 3HB ALA 3 9.583 23.977 1.153 24 HB2 ALA 3 1HB ALA 3 9.099 22.340 1.594 25 HB3 ALA 3 2HB ALA 3 10.805 22.724 1.371 26 H THR 4 H THR 4 8.554 21.356 3.337 27 HA THR 4 HA THR 4 10.498 19.817 4.869 28 HB THR 4 HB THR 4 9.278 20.755 6.678 29 HG1 THR 4 HG1 THR 4 8.885 18.911 7.580 30 HG21 THR 4 3HG2 THR 4 7.207 21.507 6.567 31 HG22 THR 4 1HG2 THR 4 6.599 19.897 6.186 32 HG23 THR 4 2HG2 THR 4 7.136 20.965 4.891 33 H VAL 5 H VAL 5 9.941 17.514 4.986 34 HA VAL 5 HA VAL 5 8.028 16.677 2.915 35 HB VAL 5 HB VAL 5 10.735 15.397 3.322 36 HG11 VAL 5 1HG1 VAL 5 9.638 13.712 2.315 37 HG12 VAL 5 2HG1 VAL 5 9.899 14.667 0.856 38 HG13 VAL 5 3HG1 VAL 5 8.359 14.765 1.709 39 HG21 VAL 5 3HG2 VAL 5 9.850 17.582 1.497 40 HG22 VAL 5 1HG2 VAL 5 11.031 16.407 0.917 41 HG23 VAL 5 2HG2 VAL 5 11.380 17.372 2.349 42 H LYS 6 H LYS 6 6.548 15.396 3.744 43 HA LYS 6 HA LYS 6 7.298 13.434 5.794 44 HB2 LYS 6 1HB LYS 6 4.773 15.102 5.890 45 HB3 LYS 6 2HB LYS 6 5.267 13.881 7.054 46 HG2 LYS 6 1HG LYS 6 6.753 15.252 8.077 47 HG3 LYS 6 2HG LYS 6 7.138 16.128 6.596 48 HD2 LYS 6 1HD LYS 6 5.015 17.309 6.717 49 HD3 LYS 6 2HD LYS 6 4.571 16.391 8.158 50 HE2 LYS 6 1HE LYS 6 6.911 17.377 8.989 51 HE3 LYS 6 2HE LYS 6 6.472 18.641 7.841 52 HZ1 LYS 6 3HZ LYS 6 5.611 19.268 9.935 53 HZ2 LYS 6 1HZ LYS 6 4.938 17.742 10.213 54 HZ3 LYS 6 2HZ LYS 6 4.286 18.750 9.022 55 H ARG 7 H ARG 7 6.879 11.486 4.986 56 HA ARG 7 HA ARG 7 4.379 11.063 3.507 57 HB2 ARG 7 1HB ARG 7 7.142 10.679 2.520 58 HB3 ARG 7 2HB ARG 7 6.018 9.371 2.170 59 HG2 ARG 7 1HG ARG 7 4.685 10.699 0.832 60 HG3 ARG 7 2HG ARG 7 5.250 12.195 1.575 61 HD2 ARG 7 1HD ARG 7 7.358 12.036 0.467 62 HD3 ARG 7 2HD ARG 7 7.000 10.406 -0.104 63 HE ARG 7 HE ARG 7 5.012 11.926 -1.170 64 HH11 ARG 7 1HH1 ARG 7 8.509 12.096 -1.255 65 HH12 ARG 7 2HH1 ARG 7 8.556 12.858 -2.809 66 HH21 ARG 7 1HH2 ARG 7 5.083 12.926 -3.217 67 HH22 ARG 7 2HH2 ARG 7 6.613 13.333 -3.920 68 H THR 8 H THR 8 3.883 8.696 3.260 69 HA THR 8 HA THR 8 5.122 6.708 4.793 70 HB THR 8 HB THR 8 4.520 7.767 6.805 71 HG1 THR 8 HG1 THR 8 3.261 6.271 7.702 72 HG21 THR 8 3HG2 THR 8 2.245 8.766 5.318 73 HG22 THR 8 1HG2 THR 8 3.022 9.403 6.767 74 HG23 THR 8 2HG2 THR 8 1.791 8.148 6.905 75 H ILE 9 H ILE 9 4.399 4.777 4.095 76 HA ILE 9 HA ILE 9 1.875 4.760 2.594 77 HB ILE 9 HB ILE 9 3.862 4.096 1.301 78 HG12 ILE 9 1HG1 ILE 9 2.177 1.638 1.702 79 HG13 ILE 9 2HG1 ILE 9 1.486 3.106 1.022 80 HG21 ILE 9 1HG2 ILE 9 5.066 3.078 3.263 81 HG22 ILE 9 2HG2 ILE 9 5.139 2.158 1.761 82 HG23 ILE 9 3HG2 ILE 9 4.044 1.657 3.049 83 HD11 ILE 9 3HD1 ILE 9 3.929 2.458 -0.327 84 HD12 ILE 9 1HD1 ILE 9 2.295 2.613 -0.972 85 HD13 ILE 9 2HD1 ILE 9 2.843 1.068 -0.319 86 H ARG 10 H ARG 10 0.190 3.902 3.555 87 HA ARG 10 HA ARG 10 0.616 1.820 5.593 88 HB2 ARG 10 1HB ARG 10 -0.301 3.910 6.501 89 HB3 ARG 10 2HB ARG 10 -1.636 3.829 5.361 90 HG2 ARG 10 1HG ARG 10 -2.419 1.770 6.415 91 HG3 ARG 10 2HG ARG 10 -1.076 1.845 7.559 92 HD2 ARG 10 1HD ARG 10 -2.665 4.303 7.404 93 HD3 ARG 10 2HD ARG 10 -3.566 2.896 7.972 94 HE ARG 10 HE ARG 10 -1.139 2.997 9.359 95 HH11 ARG 10 1HH1 ARG 10 -4.096 4.852 9.084 96 HH12 ARG 10 2HH1 ARG 10 -4.014 5.452 10.705 97 HH21 ARG 10 1HH2 ARG 10 -1.038 3.793 11.496 98 HH22 ARG 10 2HH2 ARG 10 -2.281 4.853 12.072 99 H ILE 11 H ILE 11 0.225 -0.104 4.670 100 HA ILE 11 HA ILE 11 -2.151 -0.350 2.947 101 HB ILE 11 HB ILE 11 -1.069 -2.359 1.959 102 HG12 ILE 11 1HG1 ILE 11 1.436 -1.394 3.356 103 HG13 ILE 11 2HG1 ILE 11 0.478 -2.763 3.907 104 HG21 ILE 11 1HG2 ILE 11 -0.794 0.207 1.249 105 HG22 ILE 11 2HG2 ILE 11 -0.073 -1.124 0.345 106 HG23 ILE 11 3HG2 ILE 11 0.903 -0.207 1.491 107 HD11 ILE 11 3HD1 ILE 11 1.697 -2.608 1.167 108 HD12 ILE 11 1HD1 ILE 11 0.993 -4.015 1.963 109 HD13 ILE 11 2HD1 ILE 11 2.506 -3.332 2.557 110 H LYS 12 H LYS 12 -3.730 -1.720 3.530 111 HA LYS 12 HA LYS 12 -3.208 -3.565 5.772 112 HB2 LYS 12 1HB LYS 12 -5.379 -1.573 5.356 113 HB3 LYS 12 2HB LYS 12 -5.815 -3.097 6.117 114 HG2 LYS 12 1HG LYS 12 -5.346 -1.693 7.904 115 HG3 LYS 12 2HG LYS 12 -3.864 -2.631 7.713 116 HD2 LYS 12 1HD LYS 12 -3.456 -0.470 6.051 117 HD3 LYS 12 2HD LYS 12 -4.319 0.236 7.420 118 HE2 LYS 12 1HE LYS 12 -2.123 -1.645 8.053 119 HE3 LYS 12 2HE LYS 12 -1.658 -0.090 7.367 120 HZ1 LYS 12 3HZ LYS 12 -1.958 0.831 9.343 121 HZ2 LYS 12 1HZ LYS 12 -2.378 -0.668 10.003 122 HZ3 LYS 12 2HZ LYS 12 -3.575 0.345 9.374 123 H THR 13 H THR 13 -3.916 -5.630 5.558 124 HA THR 13 HA THR 13 -5.737 -6.264 3.346 125 HB THR 13 HB THR 13 -3.446 -8.113 3.875 126 HG1 THR 13 HG1 THR 13 -3.301 -5.703 2.399 127 HG21 THR 13 3HG2 THR 13 -3.744 -8.843 1.701 128 HG22 THR 13 1HG2 THR 13 -4.600 -7.377 1.221 129 HG23 THR 13 2HG2 THR 13 -5.390 -8.557 2.267 130 H GLN 14 H GLN 14 -7.477 -6.993 4.419 131 HA GLN 14 HA GLN 14 -7.054 -9.036 6.503 132 HB2 GLN 14 1HB GLN 14 -9.117 -6.851 6.308 133 HB3 GLN 14 2HB GLN 14 -9.352 -8.258 7.337 134 HG2 GLN 14 1HG GLN 14 -7.422 -7.710 8.639 135 HG3 GLN 14 2HG GLN 14 -6.986 -6.410 7.532 136 HE21 GLN 14 2HE2 GLN 14 -9.490 -7.486 9.775 137 HE22 GLN 14 1HE2 GLN 14 -10.011 -5.903 10.234 138 H GLN 15 H GLN 15 -8.440 -10.826 6.548 139 HA GLN 15 HA GLN 15 -10.377 -11.130 4.373 140 HB2 GLN 15 1HB GLN 15 -8.328 -12.031 3.434 141 HB3 GLN 15 2HB GLN 15 -8.057 -13.005 4.869 142 HG2 GLN 15 1HG GLN 15 -9.280 -14.660 4.072 143 HG3 GLN 15 2HG GLN 15 -10.634 -13.590 3.747 144 HE21 GLN 15 2HE2 GLN 15 -9.213 -11.912 1.870 145 HE22 GLN 15 1HE2 GLN 15 -9.014 -12.843 0.429 146 H HIS 16 H HIS 16 -12.029 -12.657 4.792 147 HA HIS 16 HA HIS 16 -11.884 -14.283 7.185 148 HB2 HIS 16 1HB HIS 16 -12.535 -12.008 8.005 149 HB3 HIS 16 2HB HIS 16 -13.993 -12.126 7.027 150 HD1 HIS 16 HD1 HIS 16 -12.960 -15.243 8.742 151 HD2 HIS 16 HD2 HIS 16 -15.443 -11.994 9.476 152 HE1 HIS 16 HE1 HIS 16 -14.416 -15.934 10.669 153 HE2 HIS 16 HE2 HIS 16 -15.998 -14.001 11.009 154 H ILE 17 H ILE 17 -12.794 -16.183 6.664 155 HA ILE 17 HA ILE 17 -14.527 -16.410 4.376 156 HB ILE 17 HB ILE 17 -13.967 -18.584 6.391 157 HG12 ILE 17 1HG1 ILE 17 -12.398 -18.039 3.867 158 HG13 ILE 17 2HG1 ILE 17 -11.868 -17.530 5.465 159 HG21 ILE 17 1HG2 ILE 17 -14.506 -20.094 4.611 160 HG22 ILE 17 2HG2 ILE 17 -14.634 -18.765 3.460 161 HG23 ILE 17 3HG2 ILE 17 -15.813 -18.920 4.763 162 HD11 ILE 17 3HD1 ILE 17 -11.830 -19.866 6.189 163 HD12 ILE 17 1HD1 ILE 17 -10.771 -19.582 4.809 164 HD13 ILE 17 2HD1 ILE 17 -12.333 -20.364 4.574 165 H LEU 18 H LEU 18 -16.697 -16.834 4.307 166 HA LEU 18 HA LEU 18 -18.206 -17.327 6.723 167 HB2 LEU 18 1HB LEU 18 -18.103 -14.677 5.437 168 HB3 LEU 18 2HB LEU 18 -19.717 -15.273 5.775 169 HG LEU 18 HG LEU 18 -18.284 -15.729 8.132 170 HD11 LEU 18 1HD1 LEU 18 -17.747 -12.934 7.150 171 HD12 LEU 18 2HD1 LEU 18 -16.541 -14.221 7.192 172 HD13 LEU 18 3HD1 LEU 18 -17.266 -13.641 8.690 173 HD21 LEU 18 3HD2 LEU 18 -20.263 -13.619 7.302 174 HD22 LEU 18 1HD2 LEU 18 -19.720 -13.835 8.967 175 HD23 LEU 18 2HD2 LEU 18 -20.578 -15.137 8.144 176 HA PRO 19 HA PRO 19 -19.902 -19.362 2.937 177 HB2 PRO 19 1HB PRO 19 -20.601 -21.663 4.238 178 HB3 PRO 19 2HB PRO 19 -19.011 -21.385 3.518 179 HG2 PRO 19 1HG PRO 19 -19.865 -21.173 6.370 180 HG3 PRO 19 2HG PRO 19 -18.355 -21.805 5.692 181 HD2 PRO 19 1HD PRO 19 -18.555 -19.333 6.801 182 HD3 PRO 19 2HD PRO 19 -17.423 -19.716 5.490 183 H GLU 20 H GLU 20 -21.312 -19.715 6.209 184 HA GLU 20 HA GLU 20 -23.438 -19.552 6.989 185 HB2 GLU 20 1HB GLU 20 -22.918 -17.213 5.830 186 HB3 GLU 20 2HB GLU 20 -24.213 -17.729 4.758 187 HG2 GLU 20 1HG GLU 20 -25.134 -18.203 7.358 188 HG3 GLU 20 2HG GLU 20 -24.361 -16.621 7.394 189 H VAL 21 H VAL 21 -22.872 -21.624 4.999 190 HA VAL 21 HA VAL 21 -25.604 -22.020 3.967 191 HB VAL 21 HB VAL 21 -23.092 -23.047 2.631 192 HG11 VAL 21 1HG1 VAL 21 -25.052 -24.411 2.211 193 HG12 VAL 21 2HG1 VAL 21 -24.611 -23.520 0.755 194 HG13 VAL 21 3HG1 VAL 21 -25.972 -22.982 1.738 195 HG21 VAL 21 3HG2 VAL 21 -24.511 -20.475 2.365 196 HG22 VAL 21 1HG2 VAL 21 -24.100 -21.289 0.856 197 HG23 VAL 21 2HG2 VAL 21 -22.834 -20.889 2.014 198 HA PRO 22 HA PRO 22 -25.770 -25.682 6.483 199 HB2 PRO 22 1HB PRO 22 -27.231 -26.838 4.153 200 HB3 PRO 22 2HB PRO 22 -27.705 -26.766 5.853 201 HG2 PRO 22 1HG PRO 22 -28.817 -25.141 4.068 202 HG3 PRO 22 2HG PRO 22 -28.414 -24.561 5.694 203 HD2 PRO 22 1HD PRO 22 -27.006 -24.085 3.105 204 HD3 PRO 22 2HD PRO 22 -27.250 -22.984 4.475 205 HA PRO 23 HA PRO 23 -22.730 -28.538 4.997 206 HB2 PRO 23 1HB PRO 23 -23.481 -30.879 6.105 207 HB3 PRO 23 2HB PRO 23 -22.852 -29.535 7.065 208 HG2 PRO 23 1HG PRO 23 -25.689 -30.387 6.626 209 HG3 PRO 23 2HG PRO 23 -24.895 -29.874 8.125 210 HD2 PRO 23 1HD PRO 23 -26.471 -28.227 6.638 211 HD3 PRO 23 2HD PRO 23 -25.123 -27.644 7.631 212 H VAL 24 H VAL 24 -25.895 -28.740 3.865 213 HA VAL 24 HA VAL 24 -25.943 -31.194 2.516 214 HB VAL 24 HB VAL 24 -27.266 -28.652 1.563 215 HG11 VAL 24 1HG1 VAL 24 -27.783 -31.577 1.092 216 HG12 VAL 24 2HG1 VAL 24 -27.470 -30.312 -0.097 217 HG13 VAL 24 3HG1 VAL 24 -28.999 -30.337 0.783 218 HG21 VAL 24 3HG2 VAL 24 -29.221 -29.914 2.907 219 HG22 VAL 24 1HG2 VAL 24 -28.194 -28.673 3.626 220 HG23 VAL 24 2HG2 VAL 24 -27.834 -30.380 3.892 221 H GLU 25 H GLU 25 -25.127 -27.960 1.225 222 HA GLU 25 HA GLU 25 -23.527 -29.304 -0.853 223 HB2 GLU 25 1HB GLU 25 -25.785 -27.865 -1.338 224 HB3 GLU 25 2HB GLU 25 -24.560 -26.613 -1.475 225 HG2 GLU 25 1HG GLU 25 -23.769 -27.416 -3.410 226 HG3 GLU 25 2HG GLU 25 -23.933 -29.096 -2.900 227 H ASN 26 H ASN 26 -21.728 -28.027 -1.707 228 HA ASN 26 HA ASN 26 -20.384 -26.586 0.438 229 HB2 ASN 26 1HB ASN 26 -18.382 -26.757 -1.042 230 HB3 ASN 26 2HB ASN 26 -19.088 -28.315 -0.633 231 HD21 ASN 26 2HD2 ASN 26 -18.871 -25.865 -3.156 232 HD22 ASN 26 1HD2 ASN 26 -19.183 -26.938 -4.475 233 H PHE 27 H PHE 27 -19.056 -24.643 -0.150 234 HA PHE 27 HA PHE 27 -19.751 -23.059 -2.406 235 HB2 PHE 27 1HB PHE 27 -21.687 -22.970 -0.482 236 HB3 PHE 27 2HB PHE 27 -20.668 -21.617 -0.005 237 HD1 PHE 27 HD1 PHE 27 -22.405 -23.052 -2.964 238 HD2 PHE 27 HD2 PHE 27 -20.935 -19.562 -1.024 239 HE1 PHE 27 HE1 PHE 27 -23.465 -21.653 -4.688 240 HE2 PHE 27 HE2 PHE 27 -21.992 -18.156 -2.743 241 HZ PHE 27 HZ PHE 27 -23.259 -19.200 -4.578 242 HA PRO 28 HA PRO 28 -15.749 -21.965 -0.406 243 HB2 PRO 28 1HB PRO 28 -14.377 -21.669 -2.724 244 HB3 PRO 28 2HB PRO 28 -14.637 -23.241 -1.956 245 HG2 PRO 28 1HG PRO 28 -16.105 -21.984 -4.244 246 HG3 PRO 28 2HG PRO 28 -15.552 -23.659 -4.054 247 HD2 PRO 28 1HD PRO 28 -18.119 -22.896 -3.619 248 HD3 PRO 28 2HD PRO 28 -17.351 -24.236 -2.744 249 H VAL 29 H VAL 29 -16.492 -19.950 0.347 250 HA VAL 29 HA VAL 29 -15.894 -17.701 -1.436 251 HB VAL 29 HB VAL 29 -18.365 -17.723 0.301 252 HG11 VAL 29 1HG1 VAL 29 -18.085 -15.863 -1.968 253 HG12 VAL 29 2HG1 VAL 29 -16.996 -15.588 -0.610 254 HG13 VAL 29 3HG1 VAL 29 -18.740 -15.597 -0.353 255 HG21 VAL 29 3HG2 VAL 29 -19.554 -17.768 -1.966 256 HG22 VAL 29 1HG2 VAL 29 -18.891 -19.284 -1.361 257 HG23 VAL 29 2HG2 VAL 29 -18.031 -18.382 -2.609 258 H ARG 30 H ARG 30 -14.842 -16.039 -0.452 259 HA ARG 30 HA ARG 30 -14.823 -15.908 2.474 260 HB2 ARG 30 1HB ARG 30 -12.261 -15.404 2.204 261 HB3 ARG 30 2HB ARG 30 -12.835 -17.060 2.315 262 HG2 ARG 30 1HG ARG 30 -12.797 -16.194 -0.426 263 HG3 ARG 30 2HG ARG 30 -11.224 -15.942 0.330 264 HD2 ARG 30 1HD ARG 30 -11.240 -18.283 1.090 265 HD3 ARG 30 2HD ARG 30 -12.790 -18.520 0.283 266 HE ARG 30 HE ARG 30 -10.880 -17.542 -1.551 267 HH11 ARG 30 1HH1 ARG 30 -11.699 -20.451 0.214 268 HH12 ARG 30 2HH1 ARG 30 -11.028 -21.510 -0.980 269 HH21 ARG 30 1HH2 ARG 30 -9.999 -18.939 -3.119 270 HH22 ARG 30 2HH2 ARG 30 -10.063 -20.652 -2.872 271 H GLN 31 H GLN 31 -14.015 -13.853 3.321 272 HA GLN 31 HA GLN 31 -14.671 -11.662 1.493 273 HB2 GLN 31 1HB GLN 31 -15.395 -12.157 4.116 274 HB3 GLN 31 2HB GLN 31 -14.145 -10.928 4.270 275 HG2 GLN 31 1HG GLN 31 -15.787 -10.062 2.183 276 HG3 GLN 31 2HG GLN 31 -16.879 -10.671 3.424 277 HE21 GLN 31 2HE2 GLN 31 -15.907 -9.996 5.740 278 HE22 GLN 31 1HE2 GLN 31 -15.639 -8.296 5.882 279 H TRP 32 H TRP 32 -13.382 -9.658 1.612 280 HA TRP 32 HA TRP 32 -10.686 -9.827 2.601 281 HB2 TRP 32 1HB TRP 32 -9.558 -9.629 0.456 282 HB3 TRP 32 2HB TRP 32 -10.513 -11.104 0.499 283 HD1 TRP 32 HD1 TRP 32 -12.915 -10.992 -0.897 284 HE1 TRP 32 HE1 TRP 32 -13.448 -9.758 -3.092 285 HE3 TRP 32 HE3 TRP 32 -9.042 -7.653 -0.914 286 HZ2 TRP 32 HZ2 TRP 32 -12.366 -7.653 -4.631 287 HZ3 TRP 32 HZ3 TRP 32 -8.863 -6.066 -2.786 288 HH2 TRP 32 HH2 TRP 32 -10.490 -6.066 -4.604 289 H SER 33 H SER 33 -9.592 -7.866 2.632 290 HA SER 33 HA SER 33 -10.919 -5.505 1.532 291 HB2 SER 33 1HB SER 33 -11.891 -5.488 3.692 292 HB3 SER 33 2HB SER 33 -10.388 -5.993 4.463 293 HG SER 33 HG SER 33 -10.962 -3.477 3.283 294 H ILE 34 H ILE 34 -9.451 -4.238 0.572 295 HA ILE 34 HA ILE 34 -6.691 -4.252 1.600 296 HB ILE 34 HB ILE 34 -6.794 -5.652 -0.418 297 HG12 ILE 34 1HG1 ILE 34 -5.037 -4.428 -1.731 298 HG13 ILE 34 2HG1 ILE 34 -5.346 -3.012 -0.736 299 HG21 ILE 34 1HG2 ILE 34 -7.340 -4.714 -2.583 300 HG22 ILE 34 2HG2 ILE 34 -7.670 -3.146 -1.849 301 HG23 ILE 34 3HG2 ILE 34 -8.706 -4.525 -1.485 302 HD11 ILE 34 3HD1 ILE 34 -4.798 -5.422 0.810 303 HD12 ILE 34 1HD1 ILE 34 -4.125 -3.798 0.952 304 HD13 ILE 34 2HD1 ILE 34 -3.469 -4.922 -0.237 305 H GLU 35 H GLU 35 -5.602 -2.326 1.587 306 HA GLU 35 HA GLU 35 -6.733 -0.014 0.237 307 HB2 GLU 35 1HB GLU 35 -6.832 1.359 2.247 308 HB3 GLU 35 2HB GLU 35 -7.904 -0.024 2.396 309 HG2 GLU 35 1HG GLU 35 -6.782 -0.865 4.143 310 HG3 GLU 35 2HG GLU 35 -5.209 -0.438 3.474 311 H ILE 36 H ILE 36 -5.240 1.592 -0.177 312 HA ILE 36 HA ILE 36 -2.519 1.250 0.875 313 HB ILE 36 HB ILE 36 -3.134 1.725 -2.050 314 HG12 ILE 36 1HG1 ILE 36 -1.764 -0.620 -1.980 315 HG13 ILE 36 2HG1 ILE 36 -2.693 -0.748 -0.490 316 HG21 ILE 36 1HG2 ILE 36 -0.869 1.830 -2.455 317 HG22 ILE 36 2HG2 ILE 36 -0.451 0.978 -0.971 318 HG23 ILE 36 3HG2 ILE 36 -0.989 2.656 -0.902 319 HD11 ILE 36 3HD1 ILE 36 -4.660 -0.018 -2.110 320 HD12 ILE 36 1HD1 ILE 36 -4.165 -1.700 -1.918 321 HD13 ILE 36 2HD1 ILE 36 -3.600 -0.767 -3.304 322 H VAL 37 H VAL 37 -2.273 3.107 2.008 323 HA VAL 37 HA VAL 37 -3.073 5.628 0.697 324 HB VAL 37 HB VAL 37 -2.677 5.210 3.663 325 HG11 VAL 37 1HG1 VAL 37 -2.524 7.461 3.501 326 HG12 VAL 37 2HG1 VAL 37 -4.283 7.355 3.430 327 HG13 VAL 37 3HG1 VAL 37 -3.351 7.515 1.943 328 HG21 VAL 37 3HG2 VAL 37 -4.585 4.006 3.469 329 HG22 VAL 37 1HG2 VAL 37 -5.020 4.735 1.924 330 HG23 VAL 37 2HG2 VAL 37 -5.324 5.605 3.427 331 H LEU 38 H LEU 38 -1.590 7.198 0.373 332 HA LEU 38 HA LEU 38 0.943 7.210 1.767 333 HB2 LEU 38 1HB LEU 38 0.904 5.639 -0.406 334 HB3 LEU 38 2HB LEU 38 1.238 7.173 -1.187 335 HG LEU 38 HG LEU 38 2.904 6.089 1.081 336 HD11 LEU 38 1HD1 LEU 38 3.516 5.904 -1.861 337 HD12 LEU 38 2HD1 LEU 38 2.881 4.570 -0.898 338 HD13 LEU 38 3HD1 LEU 38 4.461 5.255 -0.521 339 HD21 LEU 38 3HD2 LEU 38 3.112 8.396 -0.805 340 HD22 LEU 38 1HD2 LEU 38 4.572 7.657 -0.150 341 HD23 LEU 38 2HD2 LEU 38 3.368 8.345 0.939 342 H LEU 39 H LEU 39 1.771 9.237 1.912 343 HA LEU 39 HA LEU 39 0.213 11.444 1.001 344 HB2 LEU 39 1HB LEU 39 2.724 11.093 2.552 345 HB3 LEU 39 2HB LEU 39 2.444 12.660 1.818 346 HG LEU 39 HG LEU 39 0.435 11.333 3.631 347 HD11 LEU 39 1HD1 LEU 39 2.694 11.750 4.706 348 HD12 LEU 39 2HD1 LEU 39 1.302 12.515 5.472 349 HD13 LEU 39 3HD1 LEU 39 2.383 13.466 4.454 350 HD21 LEU 39 3HD2 LEU 39 0.640 13.896 2.189 351 HD22 LEU 39 1HD2 LEU 39 0.068 13.994 3.855 352 HD23 LEU 39 2HD2 LEU 39 -0.782 12.981 2.689 353 H ASP 40 H ASP 40 1.170 13.316 -0.204 354 HA ASP 40 HA ASP 40 3.334 12.823 -2.008 355 HB2 ASP 40 1HB ASP 40 1.841 13.185 -4.073 356 HB3 ASP 40 2HB ASP 40 1.845 11.587 -3.338 357 H ASP 41 H ASP 41 0.375 14.785 -1.621 358 HA ASP 41 HA ASP 41 1.553 17.158 -2.681 359 HB2 ASP 41 1HB ASP 41 -0.481 18.281 -1.782 360 HB3 ASP 41 2HB ASP 41 -0.847 16.878 -2.784 361 H GLU 42 H GLU 42 1.841 15.618 0.335 362 HA GLU 42 HA GLU 42 2.544 18.121 1.695 363 HB2 GLU 42 1HB GLU 42 1.200 15.773 2.546 364 HB3 GLU 42 2HB GLU 42 2.718 15.852 3.430 365 HG2 GLU 42 1HG GLU 42 2.182 18.090 4.196 366 HG3 GLU 42 2HG GLU 42 0.685 18.064 3.265 367 H GLY 43 H GLY 43 3.863 15.010 0.699 368 HA2 GLY 43 1HA GLY 43 6.440 15.665 1.906 369 HA3 GLY 43 2HA GLY 43 6.006 14.136 1.164 370 H LYS 44 H LYS 44 5.678 17.391 -0.188 371 HA LYS 44 HA LYS 44 6.568 18.397 -2.010 372 HB2 LYS 44 1HB LYS 44 8.749 16.759 -0.958 373 HB3 LYS 44 2HB LYS 44 8.873 17.041 -2.685 374 HG2 LYS 44 1HG LYS 44 8.729 19.451 -2.301 375 HG3 LYS 44 2HG LYS 44 8.622 19.158 -0.563 376 HD2 LYS 44 1HD LYS 44 10.835 18.097 -0.616 377 HD3 LYS 44 2HD LYS 44 10.938 18.404 -2.351 378 HE2 LYS 44 1HE LYS 44 11.653 20.481 -2.006 379 HE3 LYS 44 2HE LYS 44 10.288 20.827 -0.947 380 HZ1 LYS 44 3HZ LYS 44 11.498 20.405 0.904 381 HZ2 LYS 44 1HZ LYS 44 12.783 20.854 -0.101 382 HZ3 LYS 44 2HZ LYS 44 12.454 19.218 0.171 383 H GLU 45 H GLU 45 4.938 17.775 -3.409 384 HA GLU 45 HA GLU 45 5.041 15.241 -4.783 385 HB2 GLU 45 1HB GLU 45 2.972 16.744 -4.111 386 HB3 GLU 45 2HB GLU 45 3.272 17.476 -5.683 387 HG2 GLU 45 1HG GLU 45 3.317 14.642 -5.974 388 HG3 GLU 45 2HG GLU 45 1.867 15.100 -5.082 389 H ILE 46 H ILE 46 7.418 16.332 -5.336 390 HA ILE 46 HA ILE 46 7.186 17.101 -8.160 391 HB ILE 46 HB ILE 46 9.232 18.318 -6.306 392 HG12 ILE 46 1HG1 ILE 46 7.642 20.404 -7.063 393 HG13 ILE 46 2HG1 ILE 46 6.450 19.122 -6.887 394 HG21 ILE 46 1HG2 ILE 46 9.653 18.070 -8.817 395 HG22 ILE 46 2HG2 ILE 46 9.873 19.667 -8.103 396 HG23 ILE 46 3HG2 ILE 46 8.410 19.304 -9.016 397 HD11 ILE 46 3HD1 ILE 46 8.008 20.549 -4.857 398 HD12 ILE 46 1HD1 ILE 46 7.864 18.809 -4.608 399 HD13 ILE 46 2HD1 ILE 46 6.414 19.802 -4.755 400 HA PRO 47 HA PRO 47 9.963 13.534 -8.244 401 HB2 PRO 47 1HB PRO 47 10.067 13.352 -10.961 402 HB3 PRO 47 2HB PRO 47 8.728 12.715 -9.998 403 HG2 PRO 47 1HG PRO 47 8.916 15.292 -11.512 404 HG3 PRO 47 2HG PRO 47 7.563 14.149 -11.411 405 HD2 PRO 47 1HD PRO 47 7.633 16.432 -9.973 406 HD3 PRO 47 2HD PRO 47 6.876 14.948 -9.357 407 H ALA 48 H ALA 48 12.125 13.124 -8.997 408 HA ALA 48 HA ALA 48 13.566 15.340 -10.228 409 HB1 ALA 48 3HB ALA 48 14.090 16.099 -8.160 410 HB2 ALA 48 1HB ALA 48 15.346 14.868 -8.293 411 HB3 ALA 48 2HB ALA 48 13.865 14.524 -7.400 412 H THR 49 H THR 49 14.301 12.275 -8.512 413 HA THR 49 HA THR 49 16.000 11.538 -10.800 414 HB THR 49 HB THR 49 16.060 10.491 -7.958 415 HG1 THR 49 HG1 THR 49 16.884 12.615 -8.202 416 HG21 THR 49 3HG2 THR 49 18.234 10.039 -9.950 417 HG22 THR 49 1HG2 THR 49 16.854 8.942 -9.881 418 HG23 THR 49 2HG2 THR 49 17.874 9.166 -8.459 419 H ILE 50 H ILE 50 14.151 9.706 -8.333 420 HA ILE 50 HA ILE 50 13.167 8.007 -10.532 421 HB ILE 50 HB ILE 50 13.536 7.216 -7.636 422 HG12 ILE 50 1HG1 ILE 50 15.065 6.142 -9.998 423 HG13 ILE 50 2HG1 ILE 50 15.623 7.554 -9.110 424 HG21 ILE 50 1HG2 ILE 50 11.894 5.776 -8.241 425 HG22 ILE 50 2HG2 ILE 50 13.252 4.894 -8.940 426 HG23 ILE 50 3HG2 ILE 50 12.248 5.921 -9.962 427 HD11 ILE 50 3HD1 ILE 50 15.848 4.756 -8.457 428 HD12 ILE 50 1HD1 ILE 50 15.101 5.669 -7.146 429 HD13 ILE 50 2HD1 ILE 50 16.680 6.150 -7.766 430 H PHE 51 H PHE 51 12.055 8.294 -7.157 431 HA PHE 51 HA PHE 51 9.996 8.629 -6.262 432 HB2 PHE 51 1HB PHE 51 10.325 10.912 -6.862 433 HB3 PHE 51 2HB PHE 51 9.950 10.596 -8.546 434 HD1 PHE 51 HD2 PHE 51 8.367 10.331 -5.172 435 HD2 PHE 51 HD1 PHE 51 7.848 11.178 -9.314 436 HE1 PHE 51 HE2 PHE 51 6.023 10.956 -4.750 437 HE2 PHE 51 HE1 PHE 51 5.507 11.805 -8.894 438 HZ PHE 51 HZ PHE 51 4.591 11.693 -6.612 439 H ASP 52 H ASP 52 9.070 6.615 -6.533 440 HA ASP 52 HA ASP 52 6.748 6.498 -8.156 441 HB2 ASP 52 1HB ASP 52 8.813 5.933 -9.709 442 HB3 ASP 52 2HB ASP 52 8.675 4.352 -8.945 443 H LYS 53 H LYS 53 5.357 5.506 -6.846 444 HA LYS 53 HA LYS 53 6.340 3.263 -5.199 445 HB2 LYS 53 1HB LYS 53 3.940 4.992 -4.584 446 HB3 LYS 53 2HB LYS 53 4.722 3.829 -3.523 447 HG2 LYS 53 1HG LYS 53 5.777 5.583 -2.649 448 HG3 LYS 53 2HG LYS 53 6.761 5.570 -4.114 449 HD2 LYS 53 1HD LYS 53 5.086 7.095 -5.164 450 HD3 LYS 53 2HD LYS 53 4.274 7.197 -3.600 451 HE2 LYS 53 1HE LYS 53 7.083 7.706 -3.289 452 HE3 LYS 53 2HE LYS 53 6.419 8.754 -4.540 453 HZ1 LYS 53 3HZ LYS 53 5.784 8.643 -1.680 454 HZ2 LYS 53 1HZ LYS 53 4.564 9.110 -2.753 455 HZ3 LYS 53 2HZ LYS 53 6.008 9.985 -2.682 456 H VAL 54 H VAL 54 5.578 1.322 -5.784 457 HA VAL 54 HA VAL 54 2.970 1.225 -7.158 458 HB VAL 54 HB VAL 54 3.717 -0.792 -8.326 459 HG11 VAL 54 1HG1 VAL 54 4.838 0.317 -9.994 460 HG12 VAL 54 2HG1 VAL 54 5.856 1.214 -8.866 461 HG13 VAL 54 3HG1 VAL 54 4.167 1.671 -9.086 462 HG21 VAL 54 3HG2 VAL 54 5.593 -1.061 -6.387 463 HG22 VAL 54 1HG2 VAL 54 6.564 -0.402 -7.703 464 HG23 VAL 54 2HG2 VAL 54 5.646 -1.888 -7.944 465 H ILE 55 H ILE 55 1.725 -0.741 -6.886 466 HA ILE 55 HA ILE 55 2.249 -2.208 -4.398 467 HB ILE 55 HB ILE 55 -0.452 -1.067 -5.108 468 HG12 ILE 55 1HG1 ILE 55 0.160 0.221 -2.846 469 HG13 ILE 55 2HG1 ILE 55 1.790 0.020 -3.480 470 HG21 ILE 55 1HG2 ILE 55 -1.276 -2.412 -3.554 471 HG22 ILE 55 2HG2 ILE 55 -0.147 -1.772 -2.360 472 HG23 ILE 55 3HG2 ILE 55 0.318 -3.145 -3.366 473 HD11 ILE 55 3HD1 ILE 55 1.346 1.967 -4.496 474 HD12 ILE 55 1HD1 ILE 55 -0.399 1.741 -4.401 475 HD13 ILE 55 2HD1 ILE 55 0.525 0.942 -5.673 476 H TYR 56 H TYR 56 1.915 -4.331 -4.563 477 HA TYR 56 HA TYR 56 0.247 -5.336 -6.773 478 HB2 TYR 56 1HB TYR 56 3.048 -6.002 -6.066 479 HB3 TYR 56 2HB TYR 56 2.010 -7.356 -6.508 480 HD1 TYR 56 HD2 TYR 56 3.053 -3.981 -7.699 481 HD2 TYR 56 HD1 TYR 56 1.706 -7.877 -8.754 482 HE1 TYR 56 HE2 TYR 56 3.367 -3.441 -10.077 483 HE2 TYR 56 HE1 TYR 56 2.016 -7.346 -11.132 484 HH TYR 56 HH TYR 56 3.529 -5.661 -12.461 485 H HIS 57 H HIS 57 -1.027 -7.111 -6.350 486 HA HIS 57 HA HIS 57 -0.796 -8.684 -4.000 487 HB2 HIS 57 1HB HIS 57 -2.718 -7.939 -2.776 488 HB3 HIS 57 2HB HIS 57 -1.689 -6.546 -3.055 489 HD1 HIS 57 HD1 HIS 57 -2.798 -6.102 -6.060 490 HD2 HIS 57 HD2 HIS 57 -5.035 -6.440 -2.574 491 HE1 HIS 57 HE1 HIS 57 -4.973 -4.951 -6.547 492 HE2 HIS 57 HE2 HIS 57 -6.323 -5.186 -4.433 493 H LEU 58 H LEU 58 -1.613 -10.619 -4.454 494 HA LEU 58 HA LEU 58 -2.895 -12.278 -5.342 495 HB2 LEU 58 1HB LEU 58 -4.719 -10.392 -4.836 496 HB3 LEU 58 2HB LEU 58 -4.841 -10.408 -6.583 497 HG LEU 58 HG LEU 58 -5.086 -13.013 -6.226 498 HD11 LEU 58 1HD1 LEU 58 -5.764 -13.763 -4.203 499 HD12 LEU 58 2HD1 LEU 58 -6.519 -12.233 -3.759 500 HD13 LEU 58 3HD1 LEU 58 -4.768 -12.419 -3.647 501 HD21 LEU 58 3HD2 LEU 58 -7.630 -12.455 -5.751 502 HD22 LEU 58 1HD2 LEU 58 -6.865 -12.074 -7.294 503 HD23 LEU 58 2HD2 LEU 58 -7.076 -10.813 -6.079 504 H HIS 59 H HIS 59 -3.390 -13.295 -7.418 505 HA HIS 59 HA HIS 59 -1.706 -12.197 -9.512 506 HB2 HIS 59 1HB HIS 59 -2.633 -14.868 -8.774 507 HB3 HIS 59 2HB HIS 59 -2.681 -14.573 -10.506 508 HD1 HIS 59 HD1 HIS 59 -0.738 -16.253 -10.872 509 HD2 HIS 59 HD2 HIS 59 0.251 -12.986 -8.499 510 HE1 HIS 59 HE1 HIS 59 1.771 -16.272 -10.713 511 HE2 HIS 59 HE2 HIS 59 2.350 -14.214 -9.381 512 HA PRO 60 HA PRO 60 -6.007 -12.999 -11.914 513 HB2 PRO 60 1HB PRO 60 -7.616 -12.293 -9.499 514 HB3 PRO 60 2HB PRO 60 -8.023 -13.338 -10.863 515 HG2 PRO 60 1HG PRO 60 -7.278 -14.388 -8.540 516 HG3 PRO 60 2HG PRO 60 -6.734 -15.101 -10.067 517 HD2 PRO 60 1HD PRO 60 -5.237 -13.461 -8.093 518 HD3 PRO 60 2HD PRO 60 -4.655 -14.752 -9.165 519 H THR 61 H THR 61 -5.446 -10.630 -9.346 520 HA THR 61 HA THR 61 -6.914 -8.522 -10.592 521 HB THR 61 HB THR 61 -5.515 -7.108 -8.929 522 HG1 THR 61 HG1 THR 61 -4.361 -8.208 -7.462 523 HG21 THR 61 3HG2 THR 61 -6.871 -9.041 -7.240 524 HG22 THR 61 1HG2 THR 61 -7.856 -8.492 -8.597 525 HG23 THR 61 2HG2 THR 61 -7.176 -7.320 -7.470 526 H PHE 62 H PHE 62 -4.338 -9.971 -11.844 527 HA PHE 62 HA PHE 62 -2.427 -7.989 -12.316 528 HB2 PHE 62 1HB PHE 62 -2.673 -10.612 -12.997 529 HB3 PHE 62 2HB PHE 62 -2.940 -9.836 -14.554 530 HD1 PHE 62 HD1 PHE 62 -0.536 -10.319 -11.814 531 HD2 PHE 62 HD2 PHE 62 -1.167 -8.750 -15.721 532 HE1 PHE 62 HE1 PHE 62 1.894 -10.061 -12.099 533 HE2 PHE 62 HE2 PHE 62 1.263 -8.490 -16.012 534 HZ PHE 62 HZ PHE 62 2.796 -9.146 -14.201 535 H ALA 63 H ALA 63 -5.580 -8.473 -13.725 536 HA ALA 63 HA ALA 63 -5.343 -7.134 -16.143 537 HB1 ALA 63 3HB ALA 63 -7.580 -7.666 -14.274 538 HB2 ALA 63 1HB ALA 63 -7.405 -8.064 -15.985 539 HB3 ALA 63 2HB ALA 63 -7.829 -6.423 -15.500 540 H ASN 64 H ASN 64 -5.872 -5.789 -12.901 541 HA ASN 64 HA ASN 64 -5.032 -3.182 -13.927 542 HB2 ASN 64 1HB ASN 64 -7.552 -3.284 -13.831 543 HB3 ASN 64 2HB ASN 64 -7.407 -3.468 -12.084 544 HD21 ASN 64 2HD2 ASN 64 -7.522 -1.666 -10.950 545 HD22 ASN 64 1HD2 ASN 64 -7.166 -0.076 -11.527 546 HA PRO 65 HA PRO 65 -2.687 -4.367 -10.105 547 HB2 PRO 65 1HB PRO 65 -0.688 -2.640 -11.448 548 HB3 PRO 65 2HB PRO 65 -0.496 -4.259 -10.768 549 HG2 PRO 65 1HG PRO 65 -0.539 -3.869 -13.410 550 HG3 PRO 65 2HG PRO 65 -1.291 -5.300 -12.680 551 HD2 PRO 65 1HD PRO 65 -2.577 -2.794 -13.702 552 HD3 PRO 65 2HD PRO 65 -3.107 -4.480 -13.863 553 H ASN 66 H ASN 66 -1.497 -2.860 -8.560 554 HA ASN 66 HA ASN 66 -2.954 -0.306 -8.433 555 HB2 ASN 66 1HB ASN 66 -1.931 -2.186 -6.338 556 HB3 ASN 66 2HB ASN 66 -2.116 -0.480 -5.945 557 HD21 ASN 66 2HD2 ASN 66 -3.885 -3.201 -7.375 558 HD22 ASN 66 1HD2 ASN 66 -5.426 -2.759 -6.728 559 H ARG 67 H ARG 67 -1.898 1.608 -8.281 560 HA ARG 67 HA ARG 67 0.992 1.616 -7.855 561 HB2 ARG 67 1HB ARG 67 1.394 3.022 -9.817 562 HB3 ARG 67 2HB ARG 67 0.729 1.463 -10.278 563 HG2 ARG 67 1HG ARG 67 -1.253 3.599 -9.874 564 HG3 ARG 67 2HG ARG 67 -0.141 3.836 -11.224 565 HD2 ARG 67 1HD ARG 67 -0.730 1.601 -12.071 566 HD3 ARG 67 2HD ARG 67 -1.875 1.412 -10.743 567 HE ARG 67 HE ARG 67 -2.551 3.759 -12.050 568 HH11 ARG 67 1HH1 ARG 67 -2.390 0.348 -12.827 569 HH12 ARG 67 2HH1 ARG 67 -3.654 0.435 -14.008 570 HH21 ARG 67 1HH2 ARG 67 -4.213 3.864 -13.604 571 HH22 ARG 67 2HH2 ARG 67 -4.686 2.429 -14.450 572 H THR 68 H THR 68 1.850 3.626 -7.191 573 HA THR 68 HA THR 68 -0.130 5.679 -6.467 574 HB THR 68 HB THR 68 2.085 4.617 -4.698 575 HG1 THR 68 HG1 THR 68 -0.737 4.400 -4.566 576 HG21 THR 68 3HG2 THR 68 1.537 6.133 -3.054 577 HG22 THR 68 1HG2 THR 68 -0.019 6.529 -3.786 578 HG23 THR 68 2HG2 THR 68 1.476 7.117 -4.515 579 H PHE 69 H PHE 69 0.408 7.254 -7.835 580 HA PHE 69 HA PHE 69 3.162 8.289 -7.727 581 HB2 PHE 69 1HB PHE 69 2.632 7.030 -9.878 582 HB3 PHE 69 2HB PHE 69 1.477 8.307 -10.237 583 HD1 PHE 69 HD2 PHE 69 5.063 7.890 -9.287 584 HD2 PHE 69 HD1 PHE 69 2.177 10.074 -11.528 585 HE1 PHE 69 HE2 PHE 69 6.865 9.221 -10.307 586 HE2 PHE 69 HE1 PHE 69 3.974 11.405 -12.552 587 HZ PHE 69 HZ PHE 69 6.322 10.979 -11.941 588 H THR 70 H THR 70 -0.201 9.012 -8.636 589 HA THR 70 HA THR 70 0.069 11.637 -7.377 590 HB THR 70 HB THR 70 0.471 12.219 -9.633 591 HG1 THR 70 HG1 THR 70 -1.165 13.487 -8.594 592 HG21 THR 70 3HG2 THR 70 -1.917 11.313 -10.955 593 HG22 THR 70 1HG2 THR 70 -0.979 9.955 -10.336 594 HG23 THR 70 2HG2 THR 70 -0.227 11.124 -11.418 595 H ASP 71 H ASP 71 -2.075 9.134 -8.667 596 HA ASP 71 HA ASP 71 -4.557 10.123 -7.999 597 HB2 ASP 71 1HB ASP 71 -3.400 7.514 -8.557 598 HB3 ASP 71 2HB ASP 71 -4.721 7.404 -7.399 599 HA PRO 72 HA PRO 72 -4.919 10.166 -3.599 600 HB2 PRO 72 1HB PRO 72 -7.496 9.439 -3.212 601 HB3 PRO 72 2HB PRO 72 -7.041 10.993 -3.922 602 HG2 PRO 72 1HG PRO 72 -7.937 8.481 -5.286 603 HG3 PRO 72 2HG PRO 72 -8.422 10.157 -5.600 604 HD2 PRO 72 1HD PRO 72 -6.584 8.858 -7.109 605 HD3 PRO 72 2HD PRO 72 -6.529 10.608 -6.827 606 HA PRO 73 HA PRO 73 -4.288 6.311 -1.540 607 HB2 PRO 73 1HB PRO 73 -6.476 6.957 0.363 608 HB3 PRO 73 2HB PRO 73 -4.780 6.582 0.682 609 HG2 PRO 73 1HG PRO 73 -5.688 9.077 0.896 610 HG3 PRO 73 2HG PRO 73 -4.078 8.745 0.229 611 HD2 PRO 73 1HD PRO 73 -6.609 9.467 -1.189 612 HD3 PRO 73 2HD PRO 73 -4.940 9.972 -1.529 613 H PHE 74 H PHE 74 -5.068 4.212 -1.317 614 HA PHE 74 HA PHE 74 -7.652 3.704 -2.612 615 HB2 PHE 74 1HB PHE 74 -5.160 2.056 -2.245 616 HB3 PHE 74 2HB PHE 74 -6.690 1.299 -2.675 617 HD1 PHE 74 HD1 PHE 74 -7.932 2.577 -4.693 618 HD2 PHE 74 HD2 PHE 74 -3.739 2.557 -3.966 619 HE1 PHE 74 HE1 PHE 74 -7.523 3.099 -7.061 620 HE2 PHE 74 HE2 PHE 74 -3.322 3.081 -6.334 621 HZ PHE 74 HZ PHE 74 -5.216 3.353 -7.884 622 H ARG 75 H ARG 75 -9.251 2.504 -1.661 623 HA ARG 75 HA ARG 75 -8.909 1.073 0.788 624 HB2 ARG 75 1HB ARG 75 -9.494 3.861 0.974 625 HB3 ARG 75 2HB ARG 75 -10.930 2.975 1.466 626 HG2 ARG 75 1HG ARG 75 -10.004 2.805 3.473 627 HG3 ARG 75 2HG ARG 75 -8.863 1.665 2.760 628 HD2 ARG 75 1HD ARG 75 -7.407 3.176 3.676 629 HD3 ARG 75 2HD ARG 75 -7.600 3.864 2.066 630 HE ARG 75 HE ARG 75 -8.655 5.671 2.994 631 HH11 ARG 75 1HH1 ARG 75 -8.469 3.120 5.390 632 HH12 ARG 75 2HH1 ARG 75 -9.042 4.126 6.680 633 HH21 ARG 75 1HH2 ARG 75 -9.408 6.988 4.699 634 HH22 ARG 75 2HH2 ARG 75 -9.574 6.320 6.288 635 H ILE 76 H ILE 76 -9.875 -0.595 -0.426 636 HA ILE 76 HA ILE 76 -12.790 -0.360 -0.672 637 HB ILE 76 HB ILE 76 -11.119 -1.601 -2.858 638 HG12 ILE 76 1HG1 ILE 76 -12.237 0.510 -4.086 639 HG13 ILE 76 2HG1 ILE 76 -12.054 1.196 -2.474 640 HG21 ILE 76 1HG2 ILE 76 -14.046 -0.885 -2.763 641 HG22 ILE 76 2HG2 ILE 76 -13.378 -2.508 -2.584 642 HG23 ILE 76 3HG2 ILE 76 -13.197 -1.643 -4.110 643 HD11 ILE 76 3HD1 ILE 76 -10.128 1.784 -3.711 644 HD12 ILE 76 1HD1 ILE 76 -9.905 0.129 -4.278 645 HD13 ILE 76 2HD1 ILE 76 -9.640 0.524 -2.580 646 H GLU 77 H GLU 77 -13.930 -2.239 -0.302 647 HA GLU 77 HA GLU 77 -12.399 -4.699 0.167 648 HB2 GLU 77 1HB GLU 77 -13.710 -5.147 2.214 649 HB3 GLU 77 2HB GLU 77 -12.690 -3.724 2.362 650 HG2 GLU 77 1HG GLU 77 -14.429 -2.418 2.793 651 HG3 GLU 77 2HG GLU 77 -15.324 -3.033 1.404 652 H GLU 78 H GLU 78 -13.471 -6.605 -0.294 653 HA GLU 78 HA GLU 78 -16.287 -6.573 -0.976 654 HB2 GLU 78 1HB GLU 78 -14.502 -5.995 -2.992 655 HB3 GLU 78 2HB GLU 78 -14.720 -7.731 -3.171 656 HG2 GLU 78 1HG GLU 78 -16.979 -7.531 -3.648 657 HG3 GLU 78 2HG GLU 78 -17.091 -5.929 -2.920 658 H GLN 79 H GLN 79 -16.719 -8.890 -2.128 659 HA GLN 79 HA GLN 79 -15.362 -10.901 -0.452 660 HB2 GLN 79 1HB GLN 79 -17.936 -10.216 -0.144 661 HB3 GLN 79 2HB GLN 79 -18.127 -11.414 -1.415 662 HG2 GLN 79 1HG GLN 79 -17.242 -13.129 -0.079 663 HG3 GLN 79 2HG GLN 79 -16.598 -11.990 1.101 664 HE21 GLN 79 2HE2 GLN 79 -19.764 -12.548 -0.419 665 HE22 GLN 79 1HE2 GLN 79 -20.654 -12.584 1.062 666 H GLY 80 H GLY 80 -14.631 -12.727 -1.430 667 HA2 GLY 80 1HA GLY 80 -15.578 -13.735 -3.903 668 HA3 GLY 80 2HA GLY 80 -14.136 -12.770 -4.176 669 H TRP 81 H TRP 81 -13.465 -14.976 -5.001 670 HA TRP 81 HA TRP 81 -12.226 -16.459 -2.783 671 HB2 TRP 81 1HB TRP 81 -12.454 -18.528 -4.232 672 HB3 TRP 81 2HB TRP 81 -13.945 -17.912 -3.534 673 HD1 TRP 81 HD1 TRP 81 -15.358 -16.203 -5.393 674 HE1 TRP 81 HE1 TRP 81 -15.831 -16.720 -7.869 675 HE3 TRP 81 HE3 TRP 81 -11.722 -19.705 -6.198 676 HZ2 TRP 81 HZ2 TRP 81 -14.800 -18.400 -9.897 677 HZ3 TRP 81 HZ3 TRP 81 -11.533 -20.719 -8.431 678 HH2 TRP 81 HH2 TRP 81 -13.041 -20.079 -10.241 679 H GLY 82 H GLY 82 -10.121 -16.054 -2.862 680 HA2 GLY 82 1HA GLY 82 -8.488 -16.859 -5.003 681 HA3 GLY 82 2HA GLY 82 -8.711 -15.120 -5.099 682 H GLY 83 H GLY 83 -6.536 -17.269 -4.187 683 HA2 GLY 83 1HA GLY 83 -5.590 -15.608 -1.933 684 HA3 GLY 83 2HA GLY 83 -5.460 -17.359 -1.899 685 H PHE 84 H PHE 84 -3.782 -14.577 -2.473 686 HA PHE 84 HA PHE 84 -1.567 -16.012 -3.652 687 HB2 PHE 84 1HB PHE 84 -3.178 -14.039 -5.203 688 HB3 PHE 84 2HB PHE 84 -1.434 -14.000 -5.406 689 HD1 PHE 84 HD2 PHE 84 -0.368 -16.430 -5.799 690 HD2 PHE 84 HD1 PHE 84 -4.390 -15.328 -6.649 691 HE1 PHE 84 HE2 PHE 84 -0.526 -18.270 -7.423 692 HE2 PHE 84 HE1 PHE 84 -4.554 -17.166 -8.274 693 HZ PHE 84 HZ PHE 84 -2.621 -18.641 -8.663 694 HA PRO 85 HA PRO 85 0.874 -13.096 -1.401 695 HB2 PRO 85 1HB PRO 85 2.964 -12.545 -3.051 696 HB3 PRO 85 2HB PRO 85 2.762 -14.095 -2.230 697 HG2 PRO 85 1HG PRO 85 2.091 -13.347 -5.049 698 HG3 PRO 85 2HG PRO 85 2.875 -14.815 -4.436 699 HD2 PRO 85 1HD PRO 85 0.259 -14.744 -5.104 700 HD3 PRO 85 2HD PRO 85 0.880 -15.770 -3.796 701 H LEU 86 H LEU 86 1.845 -10.899 -1.345 702 HA LEU 86 HA LEU 86 0.998 -9.028 -3.386 703 HB2 LEU 86 1HB LEU 86 -0.167 -7.570 -1.716 704 HB3 LEU 86 2HB LEU 86 -1.013 -9.049 -2.121 705 HG LEU 86 HG LEU 86 0.721 -8.987 0.311 706 HD11 LEU 86 1HD1 LEU 86 -1.822 -7.526 -0.100 707 HD12 LEU 86 2HD1 LEU 86 -0.462 -7.162 0.961 708 HD13 LEU 86 3HD1 LEU 86 -1.624 -8.408 1.414 709 HD21 LEU 86 3HD2 LEU 86 -0.072 -11.110 0.030 710 HD22 LEU 86 1HD2 LEU 86 -1.556 -10.574 -0.753 711 HD23 LEU 86 2HD2 LEU 86 -1.377 -10.425 0.995 712 H ASP 87 H ASP 87 2.681 -7.750 -3.708 713 HA ASP 87 HA ASP 87 4.389 -7.028 -1.413 714 HB2 ASP 87 1HB ASP 87 5.356 -7.357 -4.256 715 HB3 ASP 87 2HB ASP 87 6.333 -7.158 -2.805 716 H ILE 88 H ILE 88 5.430 -4.954 -1.511 717 HA ILE 88 HA ILE 88 4.416 -3.071 -3.513 718 HB ILE 88 HB ILE 88 3.905 -1.377 -1.798 719 HG12 ILE 88 1HG1 ILE 88 3.670 -3.348 0.378 720 HG13 ILE 88 2HG1 ILE 88 5.324 -2.954 -0.076 721 HG21 ILE 88 1HG2 ILE 88 2.280 -3.233 -2.740 722 HG22 ILE 88 2HG2 ILE 88 1.754 -2.059 -1.536 723 HG23 ILE 88 3HG2 ILE 88 2.209 -3.687 -1.038 724 HD11 ILE 88 3HD1 ILE 88 4.048 -0.499 0.074 725 HD12 ILE 88 1HD1 ILE 88 5.151 -1.197 1.259 726 HD13 ILE 88 2HD1 ILE 88 3.412 -1.421 1.437 727 H SER 89 H SER 89 5.669 -1.173 -3.777 728 HA SER 89 HA SER 89 8.225 -1.087 -2.336 729 HB2 SER 89 1HB SER 89 9.446 -0.703 -4.451 730 HB3 SER 89 2HB SER 89 8.684 -2.291 -4.412 731 HG SER 89 HG SER 89 7.935 0.005 -5.869 732 H VAL 90 H VAL 90 9.177 0.953 -2.180 733 HA VAL 90 HA VAL 90 7.535 3.206 -3.131 734 HB VAL 90 HB VAL 90 8.965 3.117 -0.472 735 HG11 VAL 90 1HG1 VAL 90 8.670 5.323 -0.568 736 HG12 VAL 90 2HG1 VAL 90 6.943 5.009 -0.395 737 HG13 VAL 90 3HG1 VAL 90 7.647 5.197 -1.999 738 HG21 VAL 90 3HG2 VAL 90 7.033 1.497 -0.686 739 HG22 VAL 90 1HG2 VAL 90 5.989 2.904 -0.889 740 HG23 VAL 90 2HG2 VAL 90 6.900 2.687 0.606 741 H PHE 91 H PHE 91 8.609 4.966 -3.930 742 HA PHE 91 HA PHE 91 11.508 5.171 -3.661 743 HB2 PHE 91 1HB PHE 91 10.043 4.776 -6.263 744 HB3 PHE 91 2HB PHE 91 11.530 5.706 -6.216 745 HD1 PHE 91 HD1 PHE 91 10.123 2.384 -5.328 746 HD2 PHE 91 HD2 PHE 91 13.581 4.639 -6.360 747 HE1 PHE 91 HE1 PHE 91 11.421 0.303 -5.508 748 HE2 PHE 91 HE2 PHE 91 14.887 2.563 -6.540 749 HZ PHE 91 HZ PHE 91 13.808 0.392 -6.115 750 H LEU 92 H LEU 92 12.292 7.301 -4.080 751 HA LEU 92 HA LEU 92 10.287 9.350 -4.631 752 HB2 LEU 92 1HB LEU 92 12.124 9.881 -2.346 753 HB3 LEU 92 2HB LEU 92 10.547 10.551 -2.700 754 HG LEU 92 HG LEU 92 9.709 8.122 -2.173 755 HD11 LEU 92 1HD1 LEU 92 11.180 7.329 -0.187 756 HD12 LEU 92 2HD1 LEU 92 12.460 8.207 -1.024 757 HD13 LEU 92 3HD1 LEU 92 11.623 6.884 -1.833 758 HD21 LEU 92 3HD2 LEU 92 9.294 8.794 0.094 759 HD22 LEU 92 1HD2 LEU 92 9.176 10.213 -0.946 760 HD23 LEU 92 2HD2 LEU 92 10.616 9.958 0.038 761 H LEU 93 H LEU 93 13.740 8.739 -3.956 762 HA LEU 93 HA LEU 93 14.438 10.316 -6.281 763 HB2 LEU 93 1HB LEU 93 14.906 11.243 -3.501 764 HB3 LEU 93 2HB LEU 93 16.231 11.449 -4.630 765 HG LEU 93 HG LEU 93 13.751 12.382 -5.791 766 HD11 LEU 93 1HD1 LEU 93 14.363 13.195 -3.012 767 HD12 LEU 93 2HD1 LEU 93 12.819 13.107 -3.858 768 HD13 LEU 93 3HD1 LEU 93 13.906 14.466 -4.145 769 HD21 LEU 93 3HD2 LEU 93 15.602 13.227 -6.819 770 HD22 LEU 93 1HD2 LEU 93 16.520 13.357 -5.318 771 HD23 LEU 93 2HD2 LEU 93 15.269 14.542 -5.692 772 H GLU 94 H GLU 94 16.226 9.274 -3.372 773 HA GLU 94 HA GLU 94 17.694 7.344 -5.024 774 HB2 GLU 94 1HB GLU 94 18.788 9.758 -4.336 775 HB3 GLU 94 2HB GLU 94 19.342 8.730 -3.022 776 HG2 GLU 94 1HG GLU 94 20.472 7.283 -4.495 777 HG3 GLU 94 2HG GLU 94 19.676 7.976 -5.907 778 H LYS 95 H LYS 95 17.844 8.525 -1.652 779 HA LYS 95 HA LYS 95 17.000 5.894 -0.710 780 HB2 LYS 95 1HB LYS 95 18.870 5.667 0.824 781 HB3 LYS 95 2HB LYS 95 19.462 5.790 -0.826 782 HG2 LYS 95 1HG LYS 95 19.281 8.339 0.628 783 HG3 LYS 95 2HG LYS 95 20.453 7.183 1.264 784 HD2 LYS 95 1HD LYS 95 21.741 7.235 -0.635 785 HD3 LYS 95 2HD LYS 95 20.383 7.673 -1.673 786 HE2 LYS 95 1HE LYS 95 20.383 9.915 -0.496 787 HE3 LYS 95 2HE LYS 95 21.926 9.441 0.212 788 HZ1 LYS 95 3HZ LYS 95 21.780 9.116 -2.656 789 HZ2 LYS 95 1HZ LYS 95 22.998 9.802 -1.703 790 HZ3 LYS 95 2HZ LYS 95 21.647 10.719 -2.135 791 H ALA 96 H ALA 96 15.656 8.411 -0.719 792 HA ALA 96 HA ALA 96 15.817 9.575 1.909 793 HB1 ALA 96 3HB ALA 96 13.395 10.361 0.802 794 HB2 ALA 96 1HB ALA 96 14.462 10.158 -0.587 795 HB3 ALA 96 2HB ALA 96 14.919 11.243 0.725 796 H GLY 97 H GLY 97 13.751 7.279 0.227 797 HA2 GLY 97 1HA GLY 97 12.920 6.053 2.669 798 HA3 GLY 97 2HA GLY 97 11.632 7.008 1.952 799 H GLU 98 H GLU 98 14.105 5.192 0.206 800 HA GLU 98 HA GLU 98 12.077 3.850 -1.329 801 HB2 GLU 98 1HB GLU 98 14.102 4.633 -2.431 802 HB3 GLU 98 2HB GLU 98 15.092 3.635 -1.376 803 HG2 GLU 98 1HG GLU 98 13.529 1.735 -2.411 804 HG3 GLU 98 2HG GLU 98 13.485 2.893 -3.737 805 H ARG 99 H ARG 99 11.003 2.271 -0.279 806 HA ARG 99 HA ARG 99 12.586 0.044 0.766 807 HB2 ARG 99 1HB ARG 99 10.801 1.803 2.324 808 HB3 ARG 99 2HB ARG 99 10.576 0.079 2.590 809 HG2 ARG 99 1HG ARG 99 13.260 1.417 2.768 810 HG3 ARG 99 2HG ARG 99 12.170 1.254 4.146 811 HD2 ARG 99 1HD ARG 99 12.165 -1.283 3.317 812 HD3 ARG 99 2HD ARG 99 13.748 -0.803 2.707 813 HE ARG 99 HE ARG 99 13.297 -0.087 5.456 814 HH11 ARG 99 1HH1 ARG 99 14.392 -2.621 3.299 815 HH12 ARG 99 2HH1 ARG 99 15.366 -3.394 4.504 816 HH21 ARG 99 1HH2 ARG 99 14.581 -1.117 7.040 817 HH22 ARG 99 2HH2 ARG 99 15.473 -2.542 6.624 818 H LYS 100 H LYS 100 11.517 -1.958 0.835 819 HA LYS 100 HA LYS 100 8.911 -2.106 -0.524 820 HB2 LYS 100 1HB LYS 100 11.162 -4.045 -1.057 821 HB3 LYS 100 2HB LYS 100 9.639 -3.902 -1.921 822 HG2 LYS 100 1HG LYS 100 10.369 -2.191 -3.202 823 HG3 LYS 100 2HG LYS 100 11.373 -1.511 -1.922 824 HD2 LYS 100 1HD LYS 100 13.078 -2.308 -3.153 825 HD3 LYS 100 2HD LYS 100 12.661 -3.851 -2.403 826 HE2 LYS 100 1HE LYS 100 11.205 -4.366 -4.319 827 HE3 LYS 100 2HE LYS 100 11.675 -2.843 -5.071 828 HZ1 LYS 100 3HZ LYS 100 12.948 -4.678 -5.967 829 HZ2 LYS 100 1HZ LYS 100 13.500 -5.097 -4.423 830 HZ3 LYS 100 2HZ LYS 100 13.969 -3.628 -5.119 831 H ILE 101 H ILE 101 7.615 -3.926 0.067 832 HA ILE 101 HA ILE 101 8.643 -5.700 2.129 833 HB ILE 101 HB ILE 101 7.822 -3.775 3.406 834 HG12 ILE 101 1HG1 ILE 101 5.864 -5.235 4.579 835 HG13 ILE 101 2HG1 ILE 101 6.652 -6.487 3.624 836 HG21 ILE 101 1HG2 ILE 101 6.089 -3.096 1.740 837 HG22 ILE 101 2HG2 ILE 101 5.541 -3.093 3.415 838 HG23 ILE 101 3HG2 ILE 101 5.081 -4.414 2.340 839 HD11 ILE 101 3HD1 ILE 101 8.816 -5.782 4.671 840 HD12 ILE 101 1HD1 ILE 101 7.641 -6.507 5.770 841 HD13 ILE 101 2HD1 ILE 101 7.872 -4.758 5.753 842 HA PRO 102 HA PRO 102 5.815 -8.300 -0.167 843 HB2 PRO 102 1HB PRO 102 6.825 -10.642 0.600 844 HB3 PRO 102 2HB PRO 102 7.744 -9.565 -0.456 845 HG2 PRO 102 1HG PRO 102 8.056 -10.068 2.468 846 HG3 PRO 102 2HG PRO 102 9.299 -9.796 1.236 847 HD2 PRO 102 1HD PRO 102 8.295 -7.877 3.006 848 HD3 PRO 102 2HD PRO 102 9.222 -7.546 1.532 849 H HIS 103 H HIS 103 4.060 -9.704 0.284 850 HA HIS 103 HA HIS 103 3.486 -10.454 3.021 851 HB2 HIS 103 1HB HIS 103 2.331 -8.085 1.820 852 HB3 HIS 103 2HB HIS 103 1.078 -9.248 2.239 853 HD1 HIS 103 HD1 HIS 103 0.532 -7.154 3.949 854 HD2 HIS 103 HD2 HIS 103 3.843 -9.520 4.796 855 HE1 HIS 103 HE1 HIS 103 1.064 -6.727 6.367 856 HE2 HIS 103 HE2 HIS 103 3.009 -8.242 6.884 857 H ASP 104 H ASP 104 1.316 -11.619 3.154 858 HA ASP 104 HA ASP 104 0.765 -13.065 0.645 859 HB2 ASP 104 1HB ASP 104 1.062 -14.209 3.429 860 HB3 ASP 104 2HB ASP 104 0.402 -15.108 2.066 861 H LEU 105 H LEU 105 -1.358 -13.542 0.197 862 HA LEU 105 HA LEU 105 -3.353 -12.620 2.156 863 HB2 LEU 105 1HB LEU 105 -3.248 -11.038 0.337 864 HB3 LEU 105 2HB LEU 105 -3.394 -12.323 -0.844 865 HG LEU 105 HG LEU 105 -5.689 -12.788 0.044 866 HD11 LEU 105 1HD1 LEU 105 -6.515 -10.516 1.231 867 HD12 LEU 105 2HD1 LEU 105 -4.880 -10.638 1.882 868 HD13 LEU 105 3HD1 LEU 105 -6.020 -11.963 2.110 869 HD21 LEU 105 3HD2 LEU 105 -5.754 -9.947 -0.760 870 HD22 LEU 105 1HD2 LEU 105 -6.597 -11.340 -1.437 871 HD23 LEU 105 2HD2 LEU 105 -4.905 -11.051 -1.843 872 H ASN 106 H ASN 106 -3.825 -14.608 3.007 873 HA ASN 106 HA ASN 106 -4.859 -16.636 1.145 874 HB2 ASN 106 1HB ASN 106 -3.151 -16.823 3.434 875 HB3 ASN 106 2HB ASN 106 -4.640 -17.693 3.784 876 HD21 ASN 106 2HD2 ASN 106 -5.233 -18.551 1.156 877 HD22 ASN 106 1HD2 ASN 106 -4.048 -19.722 0.698 878 H PHE 107 H PHE 107 -6.456 -18.113 2.862 879 HA PHE 107 HA PHE 107 -8.560 -16.169 3.543 880 HB2 PHE 107 1HB PHE 107 -10.050 -18.330 3.162 881 HB3 PHE 107 2HB PHE 107 -9.582 -17.289 1.830 882 HD1 PHE 107 HD2 PHE 107 -7.768 -17.983 0.299 883 HD2 PHE 107 HD1 PHE 107 -9.283 -20.574 3.318 884 HE1 PHE 107 HE2 PHE 107 -6.750 -19.908 -0.844 885 HE2 PHE 107 HE1 PHE 107 -8.269 -22.504 2.177 886 HZ PHE 107 HZ PHE 107 -7.000 -22.171 0.092 887 H LEU 108 H LEU 108 -10.152 -16.915 5.136 888 HA LEU 108 HA LEU 108 -10.840 -17.897 7.082 889 HB2 LEU 108 1HB LEU 108 -9.270 -19.859 6.204 890 HB3 LEU 108 2HB LEU 108 -8.286 -19.330 7.550 891 HG LEU 108 HG LEU 108 -11.128 -19.770 8.199 892 HD11 LEU 108 1HD1 LEU 108 -9.368 -22.161 7.718 893 HD12 LEU 108 2HD1 LEU 108 -10.559 -21.594 6.548 894 HD13 LEU 108 3HD1 LEU 108 -11.079 -22.132 8.144 895 HD21 LEU 108 3HD2 LEU 108 -8.462 -20.404 9.433 896 HD22 LEU 108 1HD2 LEU 108 -9.981 -20.999 10.105 897 HD23 LEU 108 2HD2 LEU 108 -9.689 -19.264 9.990 898 H GLN 109 H GLN 109 -10.449 -15.559 7.521 899 HA GLN 109 HA GLN 109 -9.867 -13.919 8.973 900 HB2 GLN 109 1HB GLN 109 -8.614 -16.100 10.639 901 HB3 GLN 109 2HB GLN 109 -9.129 -14.512 11.190 902 HG2 GLN 109 1HG GLN 109 -11.461 -15.120 10.637 903 HG3 GLN 109 2HG GLN 109 -10.904 -16.735 10.206 904 HE21 GLN 109 2HE2 GLN 109 -12.800 -16.600 12.057 905 HE22 GLN 109 1HE2 GLN 109 -12.172 -16.924 13.633 906 H GLU 110 H GLU 110 -8.434 -12.625 7.993 907 HA GLU 110 HA GLU 110 -5.578 -13.255 8.330 908 HB2 GLU 110 1HB GLU 110 -6.279 -13.527 5.962 909 HB3 GLU 110 2HB GLU 110 -6.808 -11.851 5.957 910 HG2 GLU 110 1HG GLU 110 -4.761 -11.556 5.054 911 HG3 GLU 110 2HG GLU 110 -4.310 -11.451 6.754 912 H SER 111 H SER 111 -4.352 -11.701 9.160 913 HA SER 111 HA SER 111 -5.338 -8.944 9.275 914 HB2 SER 111 1HB SER 111 -5.684 -10.454 11.452 915 HB3 SER 111 2HB SER 111 -3.995 -10.022 11.718 916 HG SER 111 HG SER 111 -4.724 -8.193 12.422 917 H TYR 112 H TYR 112 -3.692 -9.115 7.457 918 HA TYR 112 HA TYR 112 -0.981 -8.722 8.530 919 HB2 TYR 112 1HB TYR 112 -1.967 -10.326 6.283 920 HB3 TYR 112 2HB TYR 112 -0.633 -9.264 5.848 921 HD1 TYR 112 HD1 TYR 112 -1.291 -11.121 9.023 922 HD2 TYR 112 HD2 TYR 112 1.228 -10.627 5.629 923 HE1 TYR 112 HE1 TYR 112 0.302 -12.730 9.978 924 HE2 TYR 112 HE2 TYR 112 2.827 -12.234 6.576 925 HH TYR 112 HH TYR 112 3.077 -13.053 9.551 926 H GLU 113 H GLU 113 -0.308 -6.718 8.412 927 HA GLU 113 HA GLU 113 -0.851 -5.104 6.065 928 HB2 GLU 113 1HB GLU 113 -1.914 -3.314 7.214 929 HB3 GLU 113 2HB GLU 113 -2.772 -4.779 7.647 930 HG2 GLU 113 1HG GLU 113 -0.881 -4.585 9.624 931 HG3 GLU 113 2HG GLU 113 -1.314 -2.903 9.325 932 H VAL 114 H VAL 114 0.562 -3.331 5.812 933 HA VAL 114 HA VAL 114 2.829 -3.276 7.700 934 HB VAL 114 HB VAL 114 3.119 -2.675 4.765 935 HG11 VAL 114 1HG1 VAL 114 5.510 -3.433 5.395 936 HG12 VAL 114 2HG1 VAL 114 4.983 -3.166 7.057 937 HG13 VAL 114 3HG1 VAL 114 4.961 -1.836 5.900 938 HG21 VAL 114 3HG2 VAL 114 2.272 -4.980 5.021 939 HG22 VAL 114 1HG2 VAL 114 3.634 -5.338 6.081 940 HG23 VAL 114 2HG2 VAL 114 3.917 -4.922 4.392 941 H GLU 115 H GLU 115 3.873 -1.297 8.038 942 HA GLU 115 HA GLU 115 2.606 1.097 6.924 943 HB2 GLU 115 1HB GLU 115 2.970 0.467 9.851 944 HB3 GLU 115 2HB GLU 115 2.770 2.113 9.263 945 HG2 GLU 115 1HG GLU 115 0.577 1.804 8.713 946 HG3 GLU 115 2HG GLU 115 0.772 0.075 8.443 947 H HIS 116 H HIS 116 4.227 2.019 5.848 948 HA HIS 116 HA HIS 116 6.877 2.170 7.143 949 HB2 HIS 116 1HB HIS 116 6.027 1.707 4.343 950 HB3 HIS 116 2HB HIS 116 7.429 2.747 4.561 951 HD1 HIS 116 HD1 HIS 116 7.249 0.166 7.141 952 HD2 HIS 116 HD2 HIS 116 8.771 0.491 3.286 953 HE1 HIS 116 HE1 HIS 116 8.854 -1.752 6.888 954 HE2 HIS 116 HE2 HIS 116 9.684 -1.595 4.513 955 H VAL 117 H VAL 117 7.920 4.140 7.288 956 HA VAL 117 HA VAL 117 6.346 6.495 6.454 957 HB VAL 117 HB VAL 117 6.375 6.193 8.904 958 HG11 VAL 117 1HG1 VAL 117 8.911 5.316 8.636 959 HG12 VAL 117 2HG1 VAL 117 8.227 5.898 10.153 960 HG13 VAL 117 3HG1 VAL 117 9.203 6.975 9.156 961 HG21 VAL 117 3HG2 VAL 117 6.353 8.458 7.732 962 HG22 VAL 117 1HG2 VAL 117 8.043 8.594 8.213 963 HG23 VAL 117 2HG2 VAL 117 6.788 8.441 9.441 964 H ILE 118 H ILE 118 7.434 8.326 5.729 965 HA ILE 118 HA ILE 118 10.311 8.073 5.170 966 HB ILE 118 HB ILE 118 8.297 9.069 3.144 967 HG12 ILE 118 1HG1 ILE 118 9.329 6.874 1.978 968 HG13 ILE 118 2HG1 ILE 118 9.399 6.358 3.659 969 HG21 ILE 118 1HG2 ILE 118 10.494 8.521 1.721 970 HG22 ILE 118 2HG2 ILE 118 11.245 8.945 3.259 971 HG23 ILE 118 3HG2 ILE 118 10.185 10.096 2.448 972 HD11 ILE 118 3HD1 ILE 118 6.945 7.026 3.786 973 HD12 ILE 118 1HD1 ILE 118 7.350 5.579 2.864 974 HD13 ILE 118 2HD1 ILE 118 6.997 7.088 2.025 975 H GLN 119 H GLN 119 11.217 9.735 6.256 976 HA GLN 119 HA GLN 119 9.901 12.371 6.087 977 HB2 GLN 119 1HB GLN 119 9.660 11.430 8.340 978 HB3 GLN 119 2HB GLN 119 11.402 11.227 8.451 979 HG2 GLN 119 1HG GLN 119 11.752 13.581 8.462 980 HG3 GLN 119 2HG GLN 119 10.058 13.893 8.086 981 HE21 GLN 119 2HE2 GLN 119 12.186 14.131 10.470 982 HE22 GLN 119 1HE2 GLN 119 11.173 13.858 11.842 983 H ILE 120 H ILE 120 11.089 13.711 4.897 984 HA ILE 120 HA ILE 120 13.978 13.835 5.363 985 HB ILE 120 HB ILE 120 12.824 13.830 2.571 986 HG12 ILE 120 1HG1 ILE 120 14.373 11.639 2.609 987 HG13 ILE 120 2HG1 ILE 120 13.862 11.641 4.294 988 HG21 ILE 120 1HG2 ILE 120 15.422 13.365 2.222 989 HG22 ILE 120 2HG2 ILE 120 15.516 14.277 3.729 990 HG23 ILE 120 3HG2 ILE 120 14.757 14.994 2.308 991 HD11 ILE 120 3HD1 ILE 120 11.670 11.245 3.769 992 HD12 ILE 120 1HD1 ILE 120 12.499 10.350 2.498 993 HD13 ILE 120 2HD1 ILE 120 11.817 11.939 2.154 994 HA PRO 121 HA PRO 121 11.823 18.009 4.967 995 HB2 PRO 121 1HB PRO 121 11.907 18.805 7.533 996 HB3 PRO 121 2HB PRO 121 10.606 17.773 6.925 997 HG2 PRO 121 1HG PRO 121 13.055 17.016 8.472 998 HG3 PRO 121 2HG PRO 121 11.383 16.466 8.686 999 HD2 PRO 121 1HD PRO 121 13.287 15.026 7.361 1000 HD3 PRO 121 2HD PRO 121 11.552 14.913 7.009 1001 H LEU 122 H LEU 122 12.772 20.154 6.151 1002 HA LEU 122 HA LEU 122 15.660 20.056 5.636 1003 HB2 LEU 122 1HB LEU 122 13.633 21.850 4.855 1004 HB3 LEU 122 2HB LEU 122 14.633 22.721 6.003 1005 HG LEU 122 HG LEU 122 16.632 22.162 4.632 1006 HD11 LEU 122 1HD1 LEU 122 15.530 20.127 3.595 1007 HD12 LEU 122 2HD1 LEU 122 16.462 21.157 2.510 1008 HD13 LEU 122 3HD1 LEU 122 14.701 21.250 2.517 1009 HD21 LEU 122 3HD2 LEU 122 16.007 24.283 4.123 1010 HD22 LEU 122 1HD2 LEU 122 14.364 23.816 3.684 1011 HD23 LEU 122 2HD2 LEU 122 15.690 23.541 2.555 1012 H ASN 123 H ASN 123 16.367 19.276 7.621 1013 HA ASN 123 HA ASN 123 15.586 20.427 10.109 1014 HB2 ASN 123 1HB ASN 123 18.006 18.723 9.465 1015 HB3 ASN 123 2HB ASN 123 17.391 19.069 11.077 1016 HD21 ASN 123 2HD2 ASN 123 17.770 16.492 9.951 1017 HD22 ASN 123 1HD2 ASN 123 16.223 15.729 9.860 Start of MODEL 3 1 H1 MET 1 1H MET 1 7.174 27.463 6.867 2 H2 MET 1 2H MET 1 6.387 28.218 5.543 3 H3 MET 1 3H MET 1 8.086 28.369 5.734 4 HA MET 1 HA MET 1 8.208 25.912 5.533 5 HB2 MET 1 1HB MET 1 5.542 26.014 5.855 6 HB3 MET 1 2HB MET 1 5.605 26.045 4.099 7 HG2 MET 1 1HG MET 1 6.782 23.956 4.045 8 HG3 MET 1 2HG MET 1 6.934 23.948 5.802 9 HE1 MET 1 3HE MET 1 3.725 23.560 2.955 10 HE2 MET 1 1HE MET 1 4.100 21.884 3.356 11 HE3 MET 1 2HE MET 1 5.387 22.979 2.848 12 H VAL 2 H VAL 2 9.511 25.665 3.840 13 HA VAL 2 HA VAL 2 8.808 26.948 1.295 14 HB VAL 2 HB VAL 2 11.258 27.497 0.966 15 HG11 VAL 2 1HG1 VAL 2 9.698 28.966 3.089 16 HG12 VAL 2 2HG1 VAL 2 9.634 29.236 1.347 17 HG13 VAL 2 3HG1 VAL 2 11.106 29.610 2.244 18 HG21 VAL 2 3HG2 VAL 2 11.290 26.824 3.891 19 HG22 VAL 2 1HG2 VAL 2 12.429 27.980 3.206 20 HG23 VAL 2 2HG2 VAL 2 12.404 26.318 2.622 21 H ALA 3 H ALA 3 11.062 24.674 2.888 22 HA ALA 3 HA ALA 3 10.712 22.859 0.607 23 HB1 ALA 3 3HB ALA 3 12.966 24.310 0.767 24 HB2 ALA 3 1HB ALA 3 12.912 22.677 0.103 25 HB3 ALA 3 2HB ALA 3 13.429 22.934 1.770 26 H THR 4 H THR 4 9.483 21.389 1.708 27 HA THR 4 HA THR 4 10.856 19.848 3.769 28 HB THR 4 HB THR 4 8.430 19.813 4.902 29 HG1 THR 4 HG1 THR 4 8.637 22.471 3.943 30 HG21 THR 4 3HG2 THR 4 9.881 20.412 6.484 31 HG22 THR 4 1HG2 THR 4 9.345 22.050 6.117 32 HG23 THR 4 2HG2 THR 4 10.821 21.423 5.387 33 H VAL 5 H VAL 5 10.147 17.697 3.954 34 HA VAL 5 HA VAL 5 8.077 16.805 2.086 35 HB VAL 5 HB VAL 5 10.779 15.460 2.223 36 HG11 VAL 5 1HG1 VAL 5 8.387 14.404 1.467 37 HG12 VAL 5 2HG1 VAL 5 9.955 13.864 0.873 38 HG13 VAL 5 3HG1 VAL 5 9.004 15.007 -0.071 39 HG21 VAL 5 3HG2 VAL 5 11.155 16.362 -0.046 40 HG22 VAL 5 1HG2 VAL 5 11.063 17.625 1.180 41 HG23 VAL 5 2HG2 VAL 5 9.688 17.328 0.118 42 H LYS 6 H LYS 6 6.680 15.602 3.160 43 HA LYS 6 HA LYS 6 7.635 13.698 5.172 44 HB2 LYS 6 1HB LYS 6 6.125 16.070 5.727 45 HB3 LYS 6 2HB LYS 6 5.115 14.669 6.055 46 HG2 LYS 6 1HG LYS 6 6.759 13.781 7.576 47 HG3 LYS 6 2HG LYS 6 7.880 15.082 7.174 48 HD2 LYS 6 1HD LYS 6 5.180 15.428 8.482 49 HD3 LYS 6 2HD LYS 6 6.735 15.482 9.311 50 HE2 LYS 6 1HE LYS 6 5.691 17.396 7.230 51 HE3 LYS 6 2HE LYS 6 6.027 17.733 8.926 52 HZ1 LYS 6 3HZ LYS 6 8.417 17.046 8.301 53 HZ2 LYS 6 1HZ LYS 6 7.868 18.581 7.851 54 HZ3 LYS 6 2HZ LYS 6 7.927 17.335 6.709 55 H ARG 7 H ARG 7 7.135 11.813 4.236 56 HA ARG 7 HA ARG 7 4.387 11.436 3.247 57 HB2 ARG 7 1HB ARG 7 6.777 11.284 1.744 58 HB3 ARG 7 2HB ARG 7 6.212 9.633 1.952 59 HG2 ARG 7 1HG ARG 7 3.953 10.451 1.145 60 HG3 ARG 7 2HG ARG 7 4.779 11.936 0.669 61 HD2 ARG 7 1HD ARG 7 6.425 10.149 -0.455 62 HD3 ARG 7 2HD ARG 7 4.930 9.217 -0.491 63 HE ARG 7 HE ARG 7 4.208 10.553 -2.186 64 HH11 ARG 7 1HH1 ARG 7 6.718 12.274 -0.454 65 HH12 ARG 7 2HH1 ARG 7 6.749 13.601 -1.565 66 HH21 ARG 7 1HH2 ARG 7 4.257 12.305 -3.651 67 HH22 ARG 7 2HH2 ARG 7 5.353 13.618 -3.380 68 H THR 8 H THR 8 3.696 9.146 3.215 69 HA THR 8 HA THR 8 5.067 7.153 4.684 70 HB THR 8 HB THR 8 4.530 8.488 6.624 71 HG1 THR 8 HG1 THR 8 3.518 6.938 7.778 72 HG21 THR 8 3HG2 THR 8 1.645 8.358 5.782 73 HG22 THR 8 1HG2 THR 8 2.668 9.795 5.734 74 HG23 THR 8 2HG2 THR 8 2.270 9.047 7.280 75 H ILE 9 H ILE 9 4.301 5.228 4.036 76 HA ILE 9 HA ILE 9 1.635 5.187 2.792 77 HB ILE 9 HB ILE 9 3.476 4.688 1.238 78 HG12 ILE 9 1HG1 ILE 9 1.713 2.306 1.849 79 HG13 ILE 9 2HG1 ILE 9 1.249 3.703 0.885 80 HG21 ILE 9 1HG2 ILE 9 5.102 3.174 1.586 81 HG22 ILE 9 2HG2 ILE 9 4.019 2.034 2.383 82 HG23 ILE 9 3HG2 ILE 9 4.680 3.399 3.283 83 HD11 ILE 9 3HD1 ILE 9 2.433 3.018 -0.921 84 HD12 ILE 9 1HD1 ILE 9 2.092 1.447 -0.199 85 HD13 ILE 9 2HD1 ILE 9 3.662 2.210 0.049 86 H ARG 10 H ARG 10 0.115 4.200 3.901 87 HA ARG 10 HA ARG 10 0.863 1.942 5.635 88 HB2 ARG 10 1HB ARG 10 -1.246 4.045 6.152 89 HB3 ARG 10 2HB ARG 10 -0.939 2.645 7.170 90 HG2 ARG 10 1HG ARG 10 1.427 3.534 7.427 91 HG3 ARG 10 2HG ARG 10 0.828 5.027 6.704 92 HD2 ARG 10 1HD ARG 10 -1.052 4.679 8.573 93 HD3 ARG 10 2HD ARG 10 0.284 3.847 9.364 94 HE ARG 10 HE ARG 10 1.289 5.867 9.725 95 HH11 ARG 10 1HH1 ARG 10 -1.209 6.280 7.307 96 HH12 ARG 10 2HH1 ARG 10 -1.095 8.007 7.302 97 HH21 ARG 10 1HH2 ARG 10 1.438 8.145 9.719 98 HH22 ARG 10 2HH2 ARG 10 0.409 9.066 8.673 99 H ILE 11 H ILE 11 0.012 0.100 4.928 100 HA ILE 11 HA ILE 11 -2.540 0.206 3.457 101 HB ILE 11 HB ILE 11 -1.856 -1.957 2.424 102 HG12 ILE 11 1HG1 ILE 11 0.927 -1.363 3.411 103 HG13 ILE 11 2HG1 ILE 11 -0.154 -2.426 4.304 104 HG21 ILE 11 1HG2 ILE 11 -0.254 -0.973 0.849 105 HG22 ILE 11 2HG2 ILE 11 0.009 0.367 1.964 106 HG23 ILE 11 3HG2 ILE 11 -1.573 0.134 1.223 107 HD11 ILE 11 3HD1 ILE 11 -0.180 -4.015 2.590 108 HD12 ILE 11 1HD1 ILE 11 1.502 -3.505 2.718 109 HD13 ILE 11 2HD1 ILE 11 0.489 -2.885 1.415 110 H LYS 12 H LYS 12 -4.223 -1.036 4.091 111 HA LYS 12 HA LYS 12 -3.860 -2.620 6.545 112 HB2 LYS 12 1HB LYS 12 -6.084 -0.920 5.504 113 HB3 LYS 12 2HB LYS 12 -6.500 -2.304 6.504 114 HG2 LYS 12 1HG LYS 12 -6.350 -0.333 7.868 115 HG3 LYS 12 2HG LYS 12 -5.033 -1.430 8.281 116 HD2 LYS 12 1HD LYS 12 -3.449 0.016 7.580 117 HD3 LYS 12 2HD LYS 12 -4.397 0.530 6.183 118 HE2 LYS 12 1HE LYS 12 -4.156 2.416 7.620 119 HE3 LYS 12 2HE LYS 12 -5.824 1.862 7.745 120 HZ1 LYS 12 3HZ LYS 12 -3.830 0.883 9.677 121 HZ2 LYS 12 1HZ LYS 12 -5.500 1.082 9.866 122 HZ3 LYS 12 2HZ LYS 12 -4.483 2.431 9.873 123 H THR 13 H THR 13 -4.398 -4.749 6.573 124 HA THR 13 HA THR 13 -5.714 -5.845 4.178 125 HB THR 13 HB THR 13 -3.391 -7.082 5.667 126 HG1 THR 13 HG1 THR 13 -2.653 -5.419 4.396 127 HG21 THR 13 3HG2 THR 13 -5.028 -8.047 3.359 128 HG22 THR 13 1HG2 THR 13 -4.531 -8.912 4.813 129 HG23 THR 13 2HG2 THR 13 -3.346 -8.540 3.560 130 H GLN 14 H GLN 14 -7.416 -7.104 4.562 131 HA GLN 14 HA GLN 14 -7.635 -8.589 7.061 132 HB2 GLN 14 1HB GLN 14 -9.757 -6.640 6.129 133 HB3 GLN 14 2HB GLN 14 -9.928 -7.765 7.471 134 HG2 GLN 14 1HG GLN 14 -7.882 -6.598 8.469 135 HG3 GLN 14 2HG GLN 14 -8.181 -5.339 7.271 136 HE21 GLN 14 2HE2 GLN 14 -9.468 -3.743 7.867 137 HE22 GLN 14 1HE2 GLN 14 -10.618 -3.794 9.156 138 H GLN 15 H GLN 15 -8.407 -10.591 6.682 139 HA GLN 15 HA GLN 15 -10.203 -11.025 4.403 140 HB2 GLN 15 1HB GLN 15 -7.889 -11.476 3.635 141 HB3 GLN 15 2HB GLN 15 -7.717 -12.669 4.913 142 HG2 GLN 15 1HG GLN 15 -9.896 -13.653 3.749 143 HG3 GLN 15 2HG GLN 15 -9.211 -12.812 2.361 144 HE21 GLN 15 2HE2 GLN 15 -9.553 -15.694 2.969 145 HE22 GLN 15 1HE2 GLN 15 -7.977 -16.381 2.794 146 H HIS 16 H HIS 16 -11.626 -12.803 4.642 147 HA HIS 16 HA HIS 16 -11.348 -14.395 7.090 148 HB2 HIS 16 1HB HIS 16 -14.069 -13.296 6.563 149 HB3 HIS 16 2HB HIS 16 -13.320 -13.759 8.084 150 HD1 HIS 16 HD1 HIS 16 -11.259 -11.990 8.784 151 HD2 HIS 16 HD2 HIS 16 -14.292 -10.621 6.294 152 HE1 HIS 16 HE1 HIS 16 -11.175 -9.482 8.941 153 HE2 HIS 16 HE2 HIS 16 -13.061 -8.677 7.477 154 H ILE 17 H ILE 17 -11.572 -16.476 6.560 155 HA ILE 17 HA ILE 17 -13.065 -17.165 4.137 156 HB ILE 17 HB ILE 17 -11.378 -18.985 5.858 157 HG12 ILE 17 1HG1 ILE 17 -10.627 -17.506 3.323 158 HG13 ILE 17 2HG1 ILE 17 -10.013 -17.155 4.935 159 HG21 ILE 17 1HG2 ILE 17 -12.983 -19.342 3.427 160 HG22 ILE 17 2HG2 ILE 17 -12.468 -20.518 4.636 161 HG23 ILE 17 3HG2 ILE 17 -11.360 -20.030 3.355 162 HD11 ILE 17 3HD1 ILE 17 -8.656 -19.002 4.965 163 HD12 ILE 17 1HD1 ILE 17 -8.613 -18.575 3.256 164 HD13 ILE 17 2HD1 ILE 17 -9.650 -19.889 3.809 165 H LEU 18 H LEU 18 -15.127 -17.771 4.296 166 HA LEU 18 HA LEU 18 -16.037 -19.761 6.081 167 HB2 LEU 18 1HB LEU 18 -17.724 -18.239 7.270 168 HB3 LEU 18 2HB LEU 18 -16.071 -18.260 7.852 169 HG LEU 18 HG LEU 18 -16.056 -16.181 6.028 170 HD11 LEU 18 1HD1 LEU 18 -18.011 -15.110 5.929 171 HD12 LEU 18 2HD1 LEU 18 -18.350 -15.380 7.638 172 HD13 LEU 18 3HD1 LEU 18 -18.724 -16.635 6.456 173 HD21 LEU 18 3HD2 LEU 18 -14.894 -15.740 7.928 174 HD22 LEU 18 1HD2 LEU 18 -16.115 -16.461 8.978 175 HD23 LEU 18 2HD2 LEU 18 -16.367 -14.847 8.310 176 HA PRO 19 HA PRO 19 -18.689 -19.449 2.400 177 HB2 PRO 19 1HB PRO 19 -19.589 -22.018 2.532 178 HB3 PRO 19 2HB PRO 19 -18.044 -21.565 1.804 179 HG2 PRO 19 1HG PRO 19 -18.605 -22.684 4.520 180 HG3 PRO 19 2HG PRO 19 -17.291 -23.072 3.394 181 HD2 PRO 19 1HD PRO 19 -16.956 -21.439 5.532 182 HD3 PRO 19 2HD PRO 19 -16.041 -21.247 4.025 183 H GLU 20 H GLU 20 -19.663 -20.994 5.466 184 HA GLU 20 HA GLU 20 -21.610 -21.000 6.634 185 HB2 GLU 20 1HB GLU 20 -21.078 -18.412 6.118 186 HB3 GLU 20 2HB GLU 20 -22.630 -18.550 5.306 187 HG2 GLU 20 1HG GLU 20 -22.522 -19.682 8.017 188 HG3 GLU 20 2HG GLU 20 -22.321 -17.933 7.912 189 H VAL 21 H VAL 21 -21.578 -22.427 4.157 190 HA VAL 21 HA VAL 21 -24.349 -22.102 3.221 191 HB VAL 21 HB VAL 21 -22.212 -23.717 1.833 192 HG11 VAL 21 1HG1 VAL 21 -24.160 -24.372 0.853 193 HG12 VAL 21 2HG1 VAL 21 -23.840 -22.934 -0.113 194 HG13 VAL 21 3HG1 VAL 21 -24.988 -22.860 1.223 195 HG21 VAL 21 3HG2 VAL 21 -22.629 -21.368 0.378 196 HG22 VAL 21 1HG2 VAL 21 -21.177 -21.832 1.261 197 HG23 VAL 21 2HG2 VAL 21 -22.412 -20.851 2.049 198 HA PRO 22 HA PRO 22 -25.000 -25.718 5.884 199 HB2 PRO 22 1HB PRO 22 -27.672 -25.481 4.590 200 HB3 PRO 22 2HB PRO 22 -27.258 -25.647 6.299 201 HG2 PRO 22 1HG PRO 22 -28.042 -23.299 5.303 202 HG3 PRO 22 2HG PRO 22 -26.777 -23.395 6.541 203 HD2 PRO 22 1HD PRO 22 -26.529 -22.892 3.610 204 HD3 PRO 22 2HD PRO 22 -25.587 -22.222 4.958 205 HA PRO 23 HA PRO 23 -26.303 -28.469 2.168 206 HB2 PRO 23 1HB PRO 23 -26.775 -27.398 -0.245 207 HB3 PRO 23 2HB PRO 23 -28.007 -27.416 1.023 208 HG2 PRO 23 1HG PRO 23 -26.219 -25.180 0.151 209 HG3 PRO 23 2HG PRO 23 -27.943 -25.143 0.561 210 HD2 PRO 23 1HD PRO 23 -25.945 -24.394 2.283 211 HD3 PRO 23 2HD PRO 23 -27.532 -24.987 2.803 212 H VAL 24 H VAL 24 -23.922 -26.035 1.950 213 HA VAL 24 HA VAL 24 -21.797 -25.982 1.163 214 HB VAL 24 HB VAL 24 -22.085 -28.933 0.589 215 HG11 VAL 24 1HG1 VAL 24 -19.574 -27.546 1.434 216 HG12 VAL 24 2HG1 VAL 24 -20.093 -27.487 -0.251 217 HG13 VAL 24 3HG1 VAL 24 -19.776 -29.041 0.520 218 HG21 VAL 24 3HG2 VAL 24 -21.162 -27.639 3.154 219 HG22 VAL 24 1HG2 VAL 24 -21.286 -29.368 2.825 220 HG23 VAL 24 2HG2 VAL 24 -22.745 -28.379 2.915 221 H GLU 25 H GLU 25 -22.127 -24.693 -0.618 222 HA GLU 25 HA GLU 25 -23.232 -25.585 -3.054 223 HB2 GLU 25 1HB GLU 25 -22.345 -23.481 -4.012 224 HB3 GLU 25 2HB GLU 25 -23.238 -23.231 -2.521 225 HG2 GLU 25 1HG GLU 25 -20.834 -23.373 -1.451 226 HG3 GLU 25 2HG GLU 25 -20.334 -22.909 -3.076 227 H ASN 26 H ASN 26 -19.808 -24.912 -2.220 228 HA ASN 26 HA ASN 26 -18.706 -27.158 -3.340 229 HB2 ASN 26 1HB ASN 26 -19.554 -25.287 -5.387 230 HB3 ASN 26 2HB ASN 26 -17.816 -25.550 -5.455 231 HD21 ASN 26 2HD2 ASN 26 -20.502 -26.515 -6.851 232 HD22 ASN 26 1HD2 ASN 26 -20.145 -28.176 -7.164 233 H PHE 27 H PHE 27 -17.828 -23.781 -4.053 234 HA PHE 27 HA PHE 27 -15.250 -24.202 -2.754 235 HB2 PHE 27 1HB PHE 27 -16.130 -21.700 -4.187 236 HB3 PHE 27 2HB PHE 27 -14.492 -22.261 -3.889 237 HD1 PHE 27 HD2 PHE 27 -17.459 -22.615 -5.992 238 HD2 PHE 27 HD1 PHE 27 -13.489 -23.974 -5.277 239 HE1 PHE 27 HE2 PHE 27 -17.424 -23.671 -8.213 240 HE2 PHE 27 HE1 PHE 27 -13.447 -25.029 -7.497 241 HZ PHE 27 HZ PHE 27 -15.416 -24.882 -8.968 242 HA PRO 28 HA PRO 28 -16.393 -21.944 0.881 243 HB2 PRO 28 1HB PRO 28 -13.965 -21.226 1.799 244 HB3 PRO 28 2HB PRO 28 -14.516 -22.905 1.817 245 HG2 PRO 28 1HG PRO 28 -12.684 -21.530 -0.108 246 HG3 PRO 28 2HG PRO 28 -12.552 -23.150 0.603 247 HD2 PRO 28 1HD PRO 28 -13.496 -22.669 -1.920 248 HD3 PRO 28 2HD PRO 28 -13.964 -24.077 -0.945 249 H VAL 29 H VAL 29 -17.373 -20.012 0.754 250 HA VAL 29 HA VAL 29 -16.369 -17.842 -0.804 251 HB VAL 29 HB VAL 29 -18.531 -17.705 1.301 252 HG11 VAL 29 1HG1 VAL 29 -17.385 -15.659 -0.021 253 HG12 VAL 29 2HG1 VAL 29 -19.067 -15.666 0.506 254 HG13 VAL 29 3HG1 VAL 29 -18.663 -16.087 -1.158 255 HG21 VAL 29 3HG2 VAL 29 -19.907 -17.891 -0.999 256 HG22 VAL 29 1HG2 VAL 29 -19.526 -19.276 0.022 257 HG23 VAL 29 2HG2 VAL 29 -18.531 -18.923 -1.388 258 H ARG 30 H ARG 30 -14.629 -16.715 -0.202 259 HA ARG 30 HA ARG 30 -14.240 -16.145 2.659 260 HB2 ARG 30 1HB ARG 30 -12.120 -15.730 0.573 261 HB3 ARG 30 2HB ARG 30 -11.934 -16.003 2.297 262 HG2 ARG 30 1HG ARG 30 -11.838 -18.209 2.049 263 HG3 ARG 30 2HG ARG 30 -13.228 -18.237 0.966 264 HD2 ARG 30 1HD ARG 30 -11.947 -18.224 -0.888 265 HD3 ARG 30 2HD ARG 30 -10.761 -17.121 -0.188 266 HE ARG 30 HE ARG 30 -10.296 -19.405 1.157 267 HH11 ARG 30 1HH1 ARG 30 -10.566 -18.715 -2.268 268 HH12 ARG 30 2HH1 ARG 30 -9.501 -19.999 -2.731 269 HH21 ARG 30 1HH2 ARG 30 -8.892 -21.088 0.536 270 HH22 ARG 30 2HH2 ARG 30 -8.552 -21.344 -1.143 271 H GLN 31 H GLN 31 -13.205 -14.008 3.137 272 HA GLN 31 HA GLN 31 -14.232 -11.912 1.342 273 HB2 GLN 31 1HB GLN 31 -14.845 -12.423 4.118 274 HB3 GLN 31 2HB GLN 31 -14.108 -10.838 3.936 275 HG2 GLN 31 1HG GLN 31 -15.820 -10.047 2.601 276 HG3 GLN 31 2HG GLN 31 -16.338 -11.665 2.135 277 HE21 GLN 31 2HE2 GLN 31 -17.882 -12.666 3.291 278 HE22 GLN 31 1HE2 GLN 31 -18.626 -12.010 4.705 279 H TRP 32 H TRP 32 -13.072 -9.887 1.417 280 HA TRP 32 HA TRP 32 -10.509 -9.784 2.720 281 HB2 TRP 32 1HB TRP 32 -9.181 -9.584 0.665 282 HB3 TRP 32 2HB TRP 32 -9.960 -11.159 0.773 283 HD1 TRP 32 HD1 TRP 32 -12.220 -11.464 -0.825 284 HE1 TRP 32 HE1 TRP 32 -12.684 -10.493 -3.163 285 HE3 TRP 32 HE3 TRP 32 -8.780 -7.681 -0.833 286 HZ2 TRP 32 HZ2 TRP 32 -11.717 -8.403 -4.796 287 HZ3 TRP 32 HZ3 TRP 32 -8.613 -6.241 -2.821 288 HH2 TRP 32 HH2 TRP 32 -10.053 -6.599 -4.762 289 H SER 33 H SER 33 -9.717 -7.737 2.923 290 HA SER 33 HA SER 33 -10.878 -5.564 1.371 291 HB2 SER 33 1HB SER 33 -12.435 -5.647 3.200 292 HB3 SER 33 2HB SER 33 -11.131 -5.801 4.377 293 HG SER 33 HG SER 33 -12.257 -3.602 3.691 294 H ILE 34 H ILE 34 -9.200 -4.392 0.688 295 HA ILE 34 HA ILE 34 -6.998 -3.865 2.555 296 HB ILE 34 HB ILE 34 -6.573 -4.581 -0.347 297 HG12 ILE 34 1HG1 ILE 34 -6.015 -6.198 2.152 298 HG13 ILE 34 2HG1 ILE 34 -7.240 -6.557 0.940 299 HG21 ILE 34 1HG2 ILE 34 -4.194 -4.795 1.122 300 HG22 ILE 34 2HG2 ILE 34 -4.930 -3.270 1.608 301 HG23 ILE 34 3HG2 ILE 34 -4.606 -3.587 -0.095 302 HD11 ILE 34 3HD1 ILE 34 -5.766 -7.525 -0.427 303 HD12 ILE 34 1HD1 ILE 34 -4.745 -7.620 1.008 304 HD13 ILE 34 2HD1 ILE 34 -4.537 -6.294 -0.134 305 H GLU 35 H GLU 35 -6.211 -1.829 2.536 306 HA GLU 35 HA GLU 35 -7.087 -0.016 0.384 307 HB2 GLU 35 1HB GLU 35 -7.477 1.750 2.002 308 HB3 GLU 35 2HB GLU 35 -8.458 0.349 2.406 309 HG2 GLU 35 1HG GLU 35 -7.502 0.123 4.402 310 HG3 GLU 35 2HG GLU 35 -5.880 0.320 3.745 311 H ILE 36 H ILE 36 -5.704 1.826 0.030 312 HA ILE 36 HA ILE 36 -2.981 1.539 1.118 313 HB ILE 36 HB ILE 36 -3.578 2.198 -1.769 314 HG12 ILE 36 1HG1 ILE 36 -2.373 -0.169 -1.975 315 HG13 ILE 36 2HG1 ILE 36 -3.113 -0.412 -0.397 316 HG21 ILE 36 1HG2 ILE 36 -1.006 1.303 -1.643 317 HG22 ILE 36 2HG2 ILE 36 -1.166 2.163 -0.110 318 HG23 ILE 36 3HG2 ILE 36 -1.493 2.999 -1.628 319 HD11 ILE 36 3HD1 ILE 36 -4.439 -1.247 -2.339 320 HD12 ILE 36 1HD1 ILE 36 -4.645 0.429 -2.840 321 HD13 ILE 36 2HD1 ILE 36 -5.293 -0.112 -1.295 322 H VAL 37 H VAL 37 -2.672 3.345 2.297 323 HA VAL 37 HA VAL 37 -3.580 5.911 1.165 324 HB VAL 37 HB VAL 37 -3.524 6.829 3.444 325 HG11 VAL 37 1HG1 VAL 37 -5.365 5.105 4.337 326 HG12 VAL 37 2HG1 VAL 37 -5.277 4.583 2.654 327 HG13 VAL 37 3HG1 VAL 37 -5.675 6.258 3.039 328 HG21 VAL 37 3HG2 VAL 37 -2.745 5.752 5.258 329 HG22 VAL 37 1HG2 VAL 37 -1.887 4.762 4.083 330 HG23 VAL 37 2HG2 VAL 37 -3.415 4.201 4.757 331 H LEU 38 H LEU 38 -2.204 7.681 1.140 332 HA LEU 38 HA LEU 38 0.462 7.575 2.181 333 HB2 LEU 38 1HB LEU 38 1.616 7.684 0.016 334 HB3 LEU 38 2HB LEU 38 0.793 6.154 0.250 335 HG LEU 38 HG LEU 38 -1.053 7.792 -1.089 336 HD11 LEU 38 1HD1 LEU 38 1.714 8.045 -2.250 337 HD12 LEU 38 2HD1 LEU 38 0.661 9.348 -1.700 338 HD13 LEU 38 3HD1 LEU 38 0.225 8.406 -3.124 339 HD21 LEU 38 3HD2 LEU 38 -1.106 5.541 -1.581 340 HD22 LEU 38 1HD2 LEU 38 0.642 5.431 -1.780 341 HD23 LEU 38 2HD2 LEU 38 -0.342 6.199 -3.026 342 H LEU 39 H LEU 39 1.768 9.520 1.370 343 HA LEU 39 HA LEU 39 -0.054 11.821 1.103 344 HB2 LEU 39 1HB LEU 39 2.654 11.521 2.380 345 HB3 LEU 39 2HB LEU 39 2.009 13.097 1.966 346 HG LEU 39 HG LEU 39 1.618 12.651 4.305 347 HD11 LEU 39 1HD1 LEU 39 -0.196 13.667 2.688 348 HD12 LEU 39 2HD1 LEU 39 -0.545 13.371 4.391 349 HD13 LEU 39 3HD1 LEU 39 -1.096 12.228 3.165 350 HD21 LEU 39 3HD2 LEU 39 0.593 10.761 5.170 351 HD22 LEU 39 1HD2 LEU 39 1.597 10.101 3.879 352 HD23 LEU 39 2HD2 LEU 39 -0.135 10.323 3.625 353 H ASP 40 H ASP 40 0.899 13.736 -0.051 354 HA ASP 40 HA ASP 40 3.023 13.399 -1.899 355 HB2 ASP 40 1HB ASP 40 1.530 13.633 -3.973 356 HB3 ASP 40 2HB ASP 40 1.631 12.041 -3.230 357 H ASP 41 H ASP 41 -0.049 15.108 -1.330 358 HA ASP 41 HA ASP 41 0.941 17.574 -2.429 359 HB2 ASP 41 1HB ASP 41 -1.603 16.566 -1.381 360 HB3 ASP 41 2HB ASP 41 -1.292 18.249 -0.970 361 H GLU 42 H GLU 42 1.580 16.031 0.440 362 HA GLU 42 HA GLU 42 1.818 18.533 1.960 363 HB2 GLU 42 1HB GLU 42 2.006 15.672 2.927 364 HB3 GLU 42 2HB GLU 42 2.081 17.105 3.941 365 HG2 GLU 42 1HG GLU 42 -0.298 16.981 2.251 366 HG3 GLU 42 2HG GLU 42 -0.165 15.651 3.399 367 H GLY 43 H GLY 43 3.669 15.799 0.711 368 HA2 GLY 43 1HA GLY 43 6.132 17.138 1.632 369 HA3 GLY 43 2HA GLY 43 5.990 15.407 1.373 370 H LYS 44 H LYS 44 4.981 18.144 -0.640 371 HA LYS 44 HA LYS 44 5.511 18.793 -2.740 372 HB2 LYS 44 1HB LYS 44 7.983 17.813 -1.651 373 HB3 LYS 44 2HB LYS 44 7.891 17.432 -3.362 374 HG2 LYS 44 1HG LYS 44 7.262 19.868 -3.715 375 HG3 LYS 44 2HG LYS 44 7.772 20.120 -2.045 376 HD2 LYS 44 1HD LYS 44 9.889 18.738 -3.040 377 HD3 LYS 44 2HD LYS 44 9.371 19.644 -4.465 378 HE2 LYS 44 1HE LYS 44 9.570 21.724 -3.300 379 HE3 LYS 44 2HE LYS 44 9.849 20.898 -1.767 380 HZ1 LYS 44 3HZ LYS 44 11.959 21.508 -2.419 381 HZ2 LYS 44 1HZ LYS 44 11.673 21.213 -4.060 382 HZ3 LYS 44 2HZ LYS 44 11.882 19.918 -2.993 383 H GLU 45 H GLU 45 4.509 18.112 -4.498 384 HA GLU 45 HA GLU 45 4.222 15.242 -4.941 385 HB2 GLU 45 1HB GLU 45 2.509 15.963 -6.644 386 HB3 GLU 45 2HB GLU 45 2.149 16.404 -4.982 387 HG2 GLU 45 1HG GLU 45 2.166 18.587 -5.433 388 HG3 GLU 45 2HG GLU 45 3.619 18.469 -6.423 389 H ILE 46 H ILE 46 6.757 16.632 -5.555 390 HA ILE 46 HA ILE 46 6.918 15.971 -8.418 391 HB ILE 46 HB ILE 46 8.475 18.192 -7.085 392 HG12 ILE 46 1HG1 ILE 46 6.440 18.747 -9.193 393 HG13 ILE 46 2HG1 ILE 46 5.857 18.420 -7.564 394 HG21 ILE 46 1HG2 ILE 46 8.195 17.547 -10.012 395 HG22 ILE 46 2HG2 ILE 46 9.549 17.029 -9.009 396 HG23 ILE 46 3HG2 ILE 46 9.253 18.747 -9.273 397 HD11 ILE 46 3HD1 ILE 46 7.895 20.524 -8.235 398 HD12 ILE 46 1HD1 ILE 46 7.098 20.262 -6.685 399 HD13 ILE 46 2HD1 ILE 46 6.165 20.823 -8.073 400 HA PRO 47 HA PRO 47 10.175 13.294 -6.939 401 HB2 PRO 47 1HB PRO 47 11.110 12.439 -9.317 402 HB3 PRO 47 2HB PRO 47 9.541 11.920 -8.688 403 HG2 PRO 47 1HG PRO 47 10.165 14.034 -10.715 404 HG3 PRO 47 2HG PRO 47 8.895 12.799 -10.745 405 HD2 PRO 47 1HD PRO 47 8.449 15.386 -10.015 406 HD3 PRO 47 2HD PRO 47 7.502 14.023 -9.392 407 H ALA 48 H ALA 48 12.586 12.841 -7.805 408 HA ALA 48 HA ALA 48 13.920 15.331 -8.555 409 HB1 ALA 48 3HB ALA 48 14.031 14.103 -5.887 410 HB2 ALA 48 1HB ALA 48 14.329 15.768 -6.389 411 HB3 ALA 48 2HB ALA 48 15.591 14.550 -6.576 412 H THR 49 H THR 49 14.483 11.951 -7.549 413 HA THR 49 HA THR 49 16.343 11.678 -9.818 414 HB THR 49 HB THR 49 17.548 9.953 -8.363 415 HG1 THR 49 HG1 THR 49 16.282 11.366 -6.261 416 HG21 THR 49 3HG2 THR 49 19.103 11.469 -7.921 417 HG22 THR 49 1HG2 THR 49 18.023 12.403 -6.887 418 HG23 THR 49 2HG2 THR 49 17.999 12.645 -8.634 419 H ILE 50 H ILE 50 14.372 9.829 -7.487 420 HA ILE 50 HA ILE 50 13.596 8.061 -9.705 421 HB ILE 50 HB ILE 50 13.279 6.364 -7.655 422 HG12 ILE 50 1HG1 ILE 50 15.890 7.650 -6.908 423 HG13 ILE 50 2HG1 ILE 50 14.391 8.211 -6.176 424 HG21 ILE 50 1HG2 ILE 50 15.427 6.855 -9.607 425 HG22 ILE 50 2HG2 ILE 50 14.435 5.420 -9.338 426 HG23 ILE 50 3HG2 ILE 50 15.818 5.747 -8.291 427 HD11 ILE 50 3HD1 ILE 50 15.866 6.347 -5.060 428 HD12 ILE 50 1HD1 ILE 50 14.957 5.301 -6.149 429 HD13 ILE 50 2HD1 ILE 50 14.107 6.303 -4.973 430 H PHE 51 H PHE 51 12.459 7.827 -6.365 431 HA PHE 51 HA PHE 51 10.398 7.961 -5.454 432 HB2 PHE 51 1HB PHE 51 10.561 10.295 -5.561 433 HB3 PHE 51 2HB PHE 51 10.396 10.326 -7.306 434 HD1 PHE 51 HD1 PHE 51 8.575 9.777 -4.134 435 HD2 PHE 51 HD2 PHE 51 8.247 10.537 -8.312 436 HE1 PHE 51 HE1 PHE 51 6.173 10.235 -3.859 437 HE2 PHE 51 HE2 PHE 51 5.847 10.998 -8.037 438 HZ PHE 51 HZ PHE 51 4.807 10.848 -5.811 439 H ASP 52 H ASP 52 9.437 6.080 -5.968 440 HA ASP 52 HA ASP 52 7.284 6.126 -7.854 441 HB2 ASP 52 1HB ASP 52 9.822 5.088 -8.716 442 HB3 ASP 52 2HB ASP 52 8.658 3.771 -8.622 443 H LYS 53 H LYS 53 5.762 5.329 -6.560 444 HA LYS 53 HA LYS 53 6.403 2.952 -4.942 445 HB2 LYS 53 1HB LYS 53 4.337 5.110 -4.483 446 HB3 LYS 53 2HB LYS 53 4.481 3.654 -3.512 447 HG2 LYS 53 1HG LYS 53 6.211 4.452 -2.346 448 HG3 LYS 53 2HG LYS 53 6.973 5.160 -3.769 449 HD2 LYS 53 1HD LYS 53 6.106 7.184 -3.360 450 HD3 LYS 53 2HD LYS 53 4.514 6.522 -2.986 451 HE2 LYS 53 1HE LYS 53 6.716 6.137 -1.019 452 HE3 LYS 53 2HE LYS 53 5.975 7.731 -1.148 453 HZ1 LYS 53 3HZ LYS 53 4.995 6.090 0.520 454 HZ2 LYS 53 1HZ LYS 53 4.323 5.301 -0.818 455 HZ3 LYS 53 2HZ LYS 53 3.914 6.909 -0.490 456 H VAL 54 H VAL 54 5.180 1.135 -5.158 457 HA VAL 54 HA VAL 54 2.776 1.266 -6.828 458 HB VAL 54 HB VAL 54 4.676 0.686 -8.304 459 HG11 VAL 54 1HG1 VAL 54 6.102 -1.045 -7.978 460 HG12 VAL 54 2HG1 VAL 54 4.903 -2.021 -7.127 461 HG13 VAL 54 3HG1 VAL 54 5.725 -0.703 -6.291 462 HG21 VAL 54 3HG2 VAL 54 2.373 -0.103 -8.751 463 HG22 VAL 54 1HG2 VAL 54 2.764 -1.613 -7.928 464 HG23 VAL 54 2HG2 VAL 54 3.614 -1.168 -9.408 465 H ILE 55 H ILE 55 1.293 -0.410 -6.535 466 HA ILE 55 HA ILE 55 1.746 -2.159 -4.210 467 HB ILE 55 HB ILE 55 -1.036 -1.290 -4.747 468 HG12 ILE 55 1HG1 ILE 55 0.222 0.839 -4.950 469 HG13 ILE 55 2HG1 ILE 55 -0.825 0.806 -3.538 470 HG21 ILE 55 1HG2 ILE 55 -0.101 -2.856 -2.904 471 HG22 ILE 55 2HG2 ILE 55 -1.363 -1.692 -2.504 472 HG23 ILE 55 3HG2 ILE 55 0.315 -1.349 -2.087 473 HD11 ILE 55 3HD1 ILE 55 1.783 -0.159 -2.843 474 HD12 ILE 55 1HD1 ILE 55 0.890 1.221 -2.205 475 HD13 ILE 55 2HD1 ILE 55 1.900 1.411 -3.639 476 H TYR 56 H TYR 56 0.993 -4.235 -4.340 477 HA TYR 56 HA TYR 56 -0.529 -5.015 -6.730 478 HB2 TYR 56 1HB TYR 56 2.196 -5.604 -6.307 479 HB3 TYR 56 2HB TYR 56 1.321 -7.100 -5.995 480 HD1 TYR 56 HD2 TYR 56 1.268 -4.320 -8.503 481 HD2 TYR 56 HD1 TYR 56 1.056 -8.510 -7.795 482 HE1 TYR 56 HE2 TYR 56 1.103 -4.715 -10.923 483 HE2 TYR 56 HE1 TYR 56 0.892 -8.916 -10.213 484 HH TYR 56 HH TYR 56 0.033 -7.433 -12.276 485 H HIS 57 H HIS 57 -2.194 -6.341 -6.311 486 HA HIS 57 HA HIS 57 -2.205 -7.824 -3.775 487 HB2 HIS 57 1HB HIS 57 -4.559 -7.216 -3.406 488 HB3 HIS 57 2HB HIS 57 -3.523 -5.796 -3.432 489 HD1 HIS 57 HD1 HIS 57 -6.700 -6.744 -4.525 490 HD2 HIS 57 HD2 HIS 57 -3.553 -4.745 -6.357 491 HE1 HIS 57 HE1 HIS 57 -7.728 -5.487 -6.443 492 HE2 HIS 57 HE2 HIS 57 -5.774 -4.436 -7.641 493 H LEU 58 H LEU 58 -2.326 -9.909 -4.242 494 HA LEU 58 HA LEU 58 -3.082 -11.886 -5.061 495 HB2 LEU 58 1HB LEU 58 -5.182 -10.387 -6.620 496 HB3 LEU 58 2HB LEU 58 -5.197 -12.074 -6.149 497 HG LEU 58 HG LEU 58 -5.042 -10.658 -3.737 498 HD11 LEU 58 1HD1 LEU 58 -5.723 -8.593 -4.426 499 HD12 LEU 58 2HD1 LEU 58 -7.290 -9.346 -4.135 500 HD13 LEU 58 3HD1 LEU 58 -6.661 -9.227 -5.778 501 HD21 LEU 58 3HD2 LEU 58 -7.159 -12.180 -5.200 502 HD22 LEU 58 1HD2 LEU 58 -7.537 -11.389 -3.670 503 HD23 LEU 58 2HD2 LEU 58 -6.271 -12.615 -3.740 504 H HIS 59 H HIS 59 -3.593 -12.980 -7.310 505 HA HIS 59 HA HIS 59 -1.441 -12.158 -9.058 506 HB2 HIS 59 1HB HIS 59 -1.663 -14.519 -8.424 507 HB3 HIS 59 2HB HIS 59 -3.239 -14.578 -9.209 508 HD1 HIS 59 HD1 HIS 59 -3.272 -14.589 -11.806 509 HD2 HIS 59 HD2 HIS 59 0.539 -14.645 -10.145 510 HE1 HIS 59 HE1 HIS 59 -1.729 -15.232 -13.683 511 HE2 HIS 59 HE2 HIS 59 0.565 -15.307 -12.646 512 HA PRO 60 HA PRO 60 -5.133 -11.935 -12.156 513 HB2 PRO 60 1HB PRO 60 -7.586 -11.424 -11.111 514 HB3 PRO 60 2HB PRO 60 -6.972 -13.039 -11.456 515 HG2 PRO 60 1HG PRO 60 -7.188 -11.609 -8.858 516 HG3 PRO 60 2HG PRO 60 -7.393 -13.330 -9.215 517 HD2 PRO 60 1HD PRO 60 -5.146 -12.235 -8.092 518 HD3 PRO 60 2HD PRO 60 -5.181 -13.768 -8.979 519 H THR 61 H THR 61 -4.220 -9.844 -9.736 520 HA THR 61 HA THR 61 -5.788 -7.563 -10.361 521 HB THR 61 HB THR 61 -4.580 -7.722 -8.257 522 HG1 THR 61 HG1 THR 61 -3.615 -5.618 -9.893 523 HG21 THR 61 3HG2 THR 61 -2.461 -8.711 -9.618 524 HG22 THR 61 1HG2 THR 61 -2.390 -8.064 -7.979 525 HG23 THR 61 2HG2 THR 61 -1.953 -7.045 -9.349 526 H PHE 62 H PHE 62 -3.745 -9.195 -12.360 527 HA PHE 62 HA PHE 62 -2.086 -7.276 -13.505 528 HB2 PHE 62 1HB PHE 62 -2.422 -9.870 -13.966 529 HB3 PHE 62 2HB PHE 62 -3.425 -9.265 -15.281 530 HD1 PHE 62 HD1 PHE 62 -2.333 -7.510 -16.850 531 HD2 PHE 62 HD2 PHE 62 -0.143 -10.084 -14.261 532 HE1 PHE 62 HE1 PHE 62 -0.325 -7.188 -18.234 533 HE2 PHE 62 HE2 PHE 62 1.868 -9.764 -15.640 534 HZ PHE 62 HZ PHE 62 1.780 -8.316 -17.629 535 H ALA 63 H ALA 63 -5.525 -7.854 -13.949 536 HA ALA 63 HA ALA 63 -6.018 -6.448 -16.286 537 HB1 ALA 63 3HB ALA 63 -7.895 -6.287 -13.954 538 HB2 ALA 63 1HB ALA 63 -7.631 -7.806 -14.810 539 HB3 ALA 63 2HB ALA 63 -8.263 -6.406 -15.675 540 H ASN 64 H ASN 64 -5.772 -5.206 -12.964 541 HA ASN 64 HA ASN 64 -4.987 -2.623 -13.960 542 HB2 ASN 64 1HB ASN 64 -7.571 -2.693 -13.916 543 HB3 ASN 64 2HB ASN 64 -7.399 -2.633 -12.165 544 HD21 ASN 64 2HD2 ASN 64 -6.217 -0.811 -11.262 545 HD22 ASN 64 1HD2 ASN 64 -6.271 0.711 -12.078 546 HA PRO 65 HA PRO 65 -2.963 -3.783 -9.990 547 HB2 PRO 65 1HB PRO 65 -0.553 -2.706 -10.632 548 HB3 PRO 65 2HB PRO 65 -1.040 -4.335 -11.120 549 HG2 PRO 65 1HG PRO 65 -1.095 -1.791 -12.697 550 HG3 PRO 65 2HG PRO 65 -0.563 -3.407 -13.200 551 HD2 PRO 65 1HD PRO 65 -2.989 -2.413 -13.853 552 HD3 PRO 65 2HD PRO 65 -2.721 -4.142 -13.556 553 H ASN 66 H ASN 66 -1.809 -2.383 -8.392 554 HA ASN 66 HA ASN 66 -3.003 0.290 -8.409 555 HB2 ASN 66 1HB ASN 66 -2.120 -1.603 -6.277 556 HB3 ASN 66 2HB ASN 66 -2.086 0.121 -5.919 557 HD21 ASN 66 2HD2 ASN 66 -3.773 0.491 -4.657 558 HD22 ASN 66 1HD2 ASN 66 -5.399 0.004 -4.979 559 H ARG 67 H ARG 67 -1.829 2.126 -8.452 560 HA ARG 67 HA ARG 67 1.092 1.909 -8.172 561 HB2 ARG 67 1HB ARG 67 -0.474 2.849 -10.469 562 HB3 ARG 67 2HB ARG 67 0.787 3.966 -9.962 563 HG2 ARG 67 1HG ARG 67 2.337 2.727 -10.937 564 HG3 ARG 67 2HG ARG 67 1.838 1.307 -10.017 565 HD2 ARG 67 1HD ARG 67 -0.126 1.304 -11.792 566 HD3 ARG 67 2HD ARG 67 1.069 2.173 -12.754 567 HE ARG 67 HE ARG 67 2.335 -0.068 -11.715 568 HH11 ARG 67 1HH1 ARG 67 -0.312 0.628 -13.900 569 HH12 ARG 67 2HH1 ARG 67 -0.092 -0.821 -14.821 570 HH21 ARG 67 1HH2 ARG 67 2.614 -1.977 -12.930 571 HH22 ARG 67 2HH2 ARG 67 1.566 -2.299 -14.271 572 H THR 68 H THR 68 2.176 3.825 -7.491 573 HA THR 68 HA THR 68 0.445 5.886 -6.310 574 HB THR 68 HB THR 68 2.693 4.391 -4.960 575 HG1 THR 68 HG1 THR 68 -0.081 4.617 -4.550 576 HG21 THR 68 3HG2 THR 68 3.046 6.639 -4.304 577 HG22 THR 68 1HG2 THR 68 2.206 5.831 -2.981 578 HG23 THR 68 2HG2 THR 68 1.319 6.906 -4.062 579 H PHE 69 H PHE 69 0.937 7.510 -7.685 580 HA PHE 69 HA PHE 69 3.759 8.350 -7.806 581 HB2 PHE 69 1HB PHE 69 2.393 7.474 -9.977 582 HB3 PHE 69 2HB PHE 69 1.990 9.186 -10.028 583 HD1 PHE 69 HD1 PHE 69 4.212 10.702 -9.470 584 HD2 PHE 69 HD2 PHE 69 4.141 6.866 -11.313 585 HE1 PHE 69 HE1 PHE 69 6.380 11.173 -10.531 586 HE2 PHE 69 HE2 PHE 69 6.309 7.331 -12.374 587 HZ PHE 69 HZ PHE 69 7.433 9.487 -11.983 588 H THR 70 H THR 70 0.389 9.461 -8.115 589 HA THR 70 HA THR 70 0.676 11.566 -6.277 590 HB THR 70 HB THR 70 2.048 12.641 -7.958 591 HG1 THR 70 HG1 THR 70 1.083 14.469 -7.640 592 HG21 THR 70 3HG2 THR 70 0.115 13.168 -10.004 593 HG22 THR 70 1HG2 THR 70 0.377 11.430 -9.842 594 HG23 THR 70 2HG2 THR 70 1.742 12.505 -10.141 595 H ASP 71 H ASP 71 -1.166 9.654 -6.392 596 HA ASP 71 HA ASP 71 -3.617 11.062 -7.218 597 HB2 ASP 71 1HB ASP 71 -2.660 8.425 -8.036 598 HB3 ASP 71 2HB ASP 71 -4.278 8.369 -7.343 599 HA PRO 72 HA PRO 72 -5.323 10.454 -3.204 600 HB2 PRO 72 1HB PRO 72 -7.696 9.140 -4.407 601 HB3 PRO 72 2HB PRO 72 -7.601 10.584 -3.395 602 HG2 PRO 72 1HG PRO 72 -8.094 10.774 -6.008 603 HG3 PRO 72 2HG PRO 72 -7.072 11.963 -5.180 604 HD2 PRO 72 1HD PRO 72 -6.276 9.678 -6.940 605 HD3 PRO 72 2HD PRO 72 -5.597 11.316 -6.839 606 HA PRO 73 HA PRO 73 -4.590 6.392 -1.617 607 HB2 PRO 73 1HB PRO 73 -7.058 6.653 0.011 608 HB3 PRO 73 2HB PRO 73 -5.395 6.353 0.527 609 HG2 PRO 73 1HG PRO 73 -6.531 8.735 0.897 610 HG3 PRO 73 2HG PRO 73 -4.824 8.599 0.437 611 HD2 PRO 73 1HD PRO 73 -7.189 9.318 -1.247 612 HD3 PRO 73 2HD PRO 73 -5.544 9.985 -1.269 613 H PHE 74 H PHE 74 -5.572 4.221 -1.286 614 HA PHE 74 HA PHE 74 -7.805 3.761 -3.155 615 HB2 PHE 74 1HB PHE 74 -5.149 2.587 -3.005 616 HB3 PHE 74 2HB PHE 74 -6.410 1.359 -2.960 617 HD1 PHE 74 HD1 PHE 74 -8.265 1.582 -4.781 618 HD2 PHE 74 HD2 PHE 74 -4.418 3.387 -5.038 619 HE1 PHE 74 HE1 PHE 74 -8.504 1.737 -7.224 620 HE2 PHE 74 HE2 PHE 74 -4.653 3.545 -7.482 621 HZ PHE 74 HZ PHE 74 -6.697 2.721 -8.578 622 H ARG 75 H ARG 75 -8.978 1.683 -2.756 623 HA ARG 75 HA ARG 75 -8.929 0.421 -0.226 624 HB2 ARG 75 1HB ARG 75 -9.903 2.676 0.372 625 HB3 ARG 75 2HB ARG 75 -11.281 2.274 -0.644 626 HG2 ARG 75 1HG ARG 75 -12.228 1.228 1.054 627 HG3 ARG 75 2HG ARG 75 -10.869 0.103 1.124 628 HD2 ARG 75 1HD ARG 75 -10.230 0.976 3.061 629 HD3 ARG 75 2HD ARG 75 -10.048 2.555 2.301 630 HE ARG 75 HE ARG 75 -12.762 1.913 3.003 631 HH11 ARG 75 1HH1 ARG 75 -9.745 3.257 4.181 632 HH12 ARG 75 2HH1 ARG 75 -10.512 4.212 5.405 633 HH21 ARG 75 1HH2 ARG 75 -13.757 3.173 4.622 634 HH22 ARG 75 2HH2 ARG 75 -12.784 4.164 5.656 635 H ILE 76 H ILE 76 -9.063 -1.464 -1.412 636 HA ILE 76 HA ILE 76 -11.587 -1.899 -2.875 637 HB ILE 76 HB ILE 76 -9.034 -3.448 -3.315 638 HG12 ILE 76 1HG1 ILE 76 -9.426 -1.942 -5.591 639 HG13 ILE 76 2HG1 ILE 76 -9.838 -0.805 -4.312 640 HG21 ILE 76 1HG2 ILE 76 -10.664 -4.785 -4.175 641 HG22 ILE 76 2HG2 ILE 76 -10.373 -3.757 -5.577 642 HG23 ILE 76 3HG2 ILE 76 -11.750 -3.437 -4.520 643 HD11 ILE 76 3HD1 ILE 76 -7.243 -1.938 -5.075 644 HD12 ILE 76 1HD1 ILE 76 -7.542 -1.831 -3.340 645 HD13 ILE 76 2HD1 ILE 76 -7.639 -0.384 -4.341 646 H GLU 77 H GLU 77 -12.961 -3.125 -1.774 647 HA GLU 77 HA GLU 77 -11.948 -5.480 -0.353 648 HB2 GLU 77 1HB GLU 77 -13.608 -4.992 1.491 649 HB3 GLU 77 2HB GLU 77 -12.209 -3.930 1.422 650 HG2 GLU 77 1HG GLU 77 -13.799 -2.420 -0.003 651 HG3 GLU 77 2HG GLU 77 -15.062 -3.349 0.806 652 H GLU 78 H GLU 78 -13.034 -7.264 -0.872 653 HA GLU 78 HA GLU 78 -15.856 -7.102 -1.602 654 HB2 GLU 78 1HB GLU 78 -13.646 -7.691 -3.459 655 HB3 GLU 78 2HB GLU 78 -14.982 -8.832 -3.520 656 HG2 GLU 78 1HG GLU 78 -16.428 -6.646 -3.631 657 HG3 GLU 78 2HG GLU 78 -14.921 -5.940 -4.209 658 H GLN 79 H GLN 79 -16.539 -9.527 -2.252 659 HA GLN 79 HA GLN 79 -15.353 -11.362 -0.283 660 HB2 GLN 79 1HB GLN 79 -17.666 -12.184 0.213 661 HB3 GLN 79 2HB GLN 79 -17.348 -10.543 0.756 662 HG2 GLN 79 1HG GLN 79 -19.442 -10.337 -0.157 663 HG3 GLN 79 2HG GLN 79 -18.416 -9.862 -1.509 664 HE21 GLN 79 2HE2 GLN 79 -19.106 -10.655 -3.362 665 HE22 GLN 79 1HE2 GLN 79 -19.840 -12.201 -3.599 666 H GLY 80 H GLY 80 -16.431 -13.658 -0.646 667 HA2 GLY 80 1HA GLY 80 -17.123 -15.326 -2.177 668 HA3 GLY 80 2HA GLY 80 -16.768 -14.227 -3.500 669 H TRP 81 H TRP 81 -15.668 -16.118 -4.426 670 HA TRP 81 HA TRP 81 -13.371 -17.232 -3.196 671 HB2 TRP 81 1HB TRP 81 -12.966 -18.341 -5.272 672 HB3 TRP 81 2HB TRP 81 -14.709 -18.291 -5.050 673 HD1 TRP 81 HD1 TRP 81 -15.587 -15.633 -6.274 674 HE1 TRP 81 HE1 TRP 81 -15.224 -15.081 -8.762 675 HE3 TRP 81 HE3 TRP 81 -11.786 -18.904 -7.291 676 HZ2 TRP 81 HZ2 TRP 81 -13.552 -15.922 -10.876 677 HZ3 TRP 81 HZ3 TRP 81 -10.862 -18.966 -9.571 678 HH2 TRP 81 HH2 TRP 81 -11.728 -17.505 -11.325 679 H GLY 82 H GLY 82 -11.329 -16.519 -3.069 680 HA2 GLY 82 1HA GLY 82 -9.869 -15.122 -4.931 681 HA3 GLY 82 2HA GLY 82 -10.684 -13.886 -3.985 682 H GLY 83 H GLY 83 -7.820 -15.281 -4.302 683 HA2 GLY 83 1HA GLY 83 -6.821 -14.414 -1.828 684 HA3 GLY 83 2HA GLY 83 -7.080 -16.146 -1.734 685 H PHE 84 H PHE 84 -4.911 -13.733 -2.580 686 HA PHE 84 HA PHE 84 -3.006 -15.678 -3.568 687 HB2 PHE 84 1HB PHE 84 -4.225 -13.585 -5.309 688 HB3 PHE 84 2HB PHE 84 -2.512 -13.924 -5.507 689 HD1 PHE 84 HD1 PHE 84 -2.007 -16.584 -5.585 690 HD2 PHE 84 HD2 PHE 84 -5.653 -14.693 -6.701 691 HE1 PHE 84 HE1 PHE 84 -2.556 -18.500 -7.026 692 HE2 PHE 84 HE2 PHE 84 -6.208 -16.607 -8.143 693 HZ PHE 84 HZ PHE 84 -4.660 -18.513 -8.307 694 HA PRO 85 HA PRO 85 0.089 -13.184 -1.647 695 HB2 PRO 85 1HB PRO 85 1.619 -13.052 -4.183 696 HB3 PRO 85 2HB PRO 85 2.100 -13.683 -2.606 697 HG2 PRO 85 1HG PRO 85 1.551 -15.333 -4.620 698 HG3 PRO 85 2HG PRO 85 1.062 -15.729 -2.962 699 HD2 PRO 85 1HD PRO 85 -0.587 -14.658 -5.221 700 HD3 PRO 85 2HD PRO 85 -0.996 -15.896 -4.015 701 H LEU 86 H LEU 86 1.526 -11.181 -1.960 702 HA LEU 86 HA LEU 86 0.339 -9.153 -3.704 703 HB2 LEU 86 1HB LEU 86 0.654 -8.839 -0.716 704 HB3 LEU 86 2HB LEU 86 0.199 -7.557 -1.821 705 HG LEU 86 HG LEU 86 -1.759 -9.249 -2.418 706 HD11 LEU 86 1HD1 LEU 86 -0.574 -10.765 -0.550 707 HD12 LEU 86 2HD1 LEU 86 -2.303 -10.805 -0.880 708 HD13 LEU 86 3HD1 LEU 86 -1.687 -9.854 0.469 709 HD21 LEU 86 3HD2 LEU 86 -3.109 -7.788 -1.347 710 HD22 LEU 86 1HD2 LEU 86 -1.608 -6.882 -1.163 711 HD23 LEU 86 2HD2 LEU 86 -2.202 -7.884 0.162 712 H ASP 87 H ASP 87 1.645 -7.077 -3.620 713 HA ASP 87 HA ASP 87 4.376 -7.311 -2.699 714 HB2 ASP 87 1HB ASP 87 4.444 -8.503 -4.862 715 HB3 ASP 87 2HB ASP 87 3.808 -7.070 -5.662 716 H ILE 88 H ILE 88 4.954 -5.369 -1.946 717 HA ILE 88 HA ILE 88 3.908 -2.970 -3.298 718 HB ILE 88 HB ILE 88 3.870 -1.868 -1.007 719 HG12 ILE 88 1HG1 ILE 88 3.619 -4.699 0.007 720 HG13 ILE 88 2HG1 ILE 88 5.140 -3.812 0.064 721 HG21 ILE 88 1HG2 ILE 88 1.792 -3.980 -1.023 722 HG22 ILE 88 2HG2 ILE 88 1.921 -2.946 -2.445 723 HG23 ILE 88 3HG2 ILE 88 1.634 -2.233 -0.858 724 HD11 ILE 88 3HD1 ILE 88 3.558 -3.856 2.124 725 HD12 ILE 88 1HD1 ILE 88 2.695 -2.595 1.246 726 HD13 ILE 88 2HD1 ILE 88 4.390 -2.367 1.676 727 H SER 89 H SER 89 5.467 -1.651 -3.963 728 HA SER 89 HA SER 89 8.060 -1.736 -2.555 729 HB2 SER 89 1HB SER 89 8.587 -0.772 -5.122 730 HB3 SER 89 2HB SER 89 8.977 -2.372 -4.500 731 HG SER 89 HG SER 89 7.246 -3.200 -5.491 732 H VAL 90 H VAL 90 9.094 0.180 -2.124 733 HA VAL 90 HA VAL 90 7.626 2.648 -2.795 734 HB VAL 90 HB VAL 90 9.095 2.261 -0.195 735 HG11 VAL 90 1HG1 VAL 90 6.774 4.052 -0.409 736 HG12 VAL 90 2HG1 VAL 90 8.183 4.524 -1.356 737 HG13 VAL 90 3HG1 VAL 90 8.330 4.295 0.386 738 HG21 VAL 90 3HG2 VAL 90 6.891 1.840 0.853 739 HG22 VAL 90 1HG2 VAL 90 7.394 0.550 -0.238 740 HG23 VAL 90 2HG2 VAL 90 6.181 1.720 -0.757 741 H PHE 91 H PHE 91 8.800 4.371 -3.443 742 HA PHE 91 HA PHE 91 11.695 4.434 -3.097 743 HB2 PHE 91 1HB PHE 91 10.294 4.298 -5.763 744 HB3 PHE 91 2HB PHE 91 11.842 5.115 -5.604 745 HD1 PHE 91 HD2 PHE 91 10.124 1.866 -5.291 746 HD2 PHE 91 HD1 PHE 91 13.860 3.897 -5.419 747 HE1 PHE 91 HE2 PHE 91 11.285 -0.291 -5.527 748 HE2 PHE 91 HE1 PHE 91 15.028 1.746 -5.655 749 HZ PHE 91 HZ PHE 91 13.742 -0.352 -5.708 750 H LEU 92 H LEU 92 12.535 6.566 -3.148 751 HA LEU 92 HA LEU 92 10.593 8.703 -3.644 752 HB2 LEU 92 1HB LEU 92 10.696 8.027 -1.198 753 HB3 LEU 92 2HB LEU 92 12.314 8.699 -1.182 754 HG LEU 92 HG LEU 92 10.990 10.807 -2.192 755 HD11 LEU 92 1HD1 LEU 92 8.789 10.327 -2.166 756 HD12 LEU 92 2HD1 LEU 92 8.925 10.784 -0.469 757 HD13 LEU 92 3HD1 LEU 92 8.962 9.081 -0.928 758 HD21 LEU 92 3HD2 LEU 92 10.670 11.349 0.408 759 HD22 LEU 92 1HD2 LEU 92 12.245 11.348 -0.387 760 HD23 LEU 92 2HD2 LEU 92 11.723 9.941 0.538 761 H LEU 93 H LEU 93 13.962 8.535 -2.371 762 HA LEU 93 HA LEU 93 14.775 10.110 -4.712 763 HB2 LEU 93 1HB LEU 93 14.366 11.650 -2.812 764 HB3 LEU 93 2HB LEU 93 15.569 10.785 -1.874 765 HG LEU 93 HG LEU 93 17.106 11.412 -3.964 766 HD11 LEU 93 1HD1 LEU 93 14.931 12.585 -4.886 767 HD12 LEU 93 2HD1 LEU 93 16.533 13.279 -5.136 768 HD13 LEU 93 3HD1 LEU 93 15.491 13.903 -3.856 769 HD21 LEU 93 3HD2 LEU 93 17.479 11.988 -1.587 770 HD22 LEU 93 1HD2 LEU 93 16.422 13.386 -1.790 771 HD23 LEU 93 2HD2 LEU 93 17.935 13.285 -2.693 772 H GLU 94 H GLU 94 16.322 8.862 -1.719 773 HA GLU 94 HA GLU 94 17.806 6.889 -3.138 774 HB2 GLU 94 1HB GLU 94 18.931 9.529 -3.012 775 HB3 GLU 94 2HB GLU 94 19.937 8.413 -2.101 776 HG2 GLU 94 1HG GLU 94 20.313 7.048 -3.978 777 HG3 GLU 94 2HG GLU 94 19.013 7.816 -4.890 778 H LYS 95 H LYS 95 18.047 8.986 -0.255 779 HA LYS 95 HA LYS 95 18.449 6.548 1.358 780 HB2 LYS 95 1HB LYS 95 19.514 9.349 1.728 781 HB3 LYS 95 2HB LYS 95 19.533 8.154 3.018 782 HG2 LYS 95 1HG LYS 95 21.598 7.757 2.201 783 HG3 LYS 95 2HG LYS 95 20.699 6.713 1.099 784 HD2 LYS 95 1HD LYS 95 20.569 9.143 -0.161 785 HD3 LYS 95 2HD LYS 95 22.175 9.185 0.569 786 HE2 LYS 95 1HE LYS 95 21.103 6.991 -1.206 787 HE3 LYS 95 2HE LYS 95 22.217 8.263 -1.707 788 HZ1 LYS 95 3HZ LYS 95 22.824 6.337 0.467 789 HZ2 LYS 95 1HZ LYS 95 23.893 7.403 -0.297 790 HZ3 LYS 95 2HZ LYS 95 23.267 6.083 -1.145 791 H ALA 96 H ALA 96 15.893 7.207 0.713 792 HA ALA 96 HA ALA 96 14.820 8.419 3.180 793 HB1 ALA 96 3HB ALA 96 13.148 9.432 2.011 794 HB2 ALA 96 1HB ALA 96 13.122 8.196 0.756 795 HB3 ALA 96 2HB ALA 96 14.394 9.417 0.762 796 H GLY 97 H GLY 97 14.144 5.957 0.686 797 HA2 GLY 97 1HA GLY 97 13.194 4.143 2.759 798 HA3 GLY 97 2HA GLY 97 12.019 4.610 1.537 799 H GLU 98 H GLU 98 12.487 4.067 -0.707 800 HA GLU 98 HA GLU 98 12.879 2.450 -2.265 801 HB2 GLU 98 1HB GLU 98 15.535 3.177 -1.137 802 HB3 GLU 98 2HB GLU 98 15.451 1.827 -2.257 803 HG2 GLU 98 1HG GLU 98 15.331 3.187 -3.990 804 HG3 GLU 98 2HG GLU 98 13.964 4.055 -3.288 805 H ARG 99 H ARG 99 11.567 1.118 -0.506 806 HA ARG 99 HA ARG 99 12.996 -1.421 -0.249 807 HB2 ARG 99 1HB ARG 99 12.192 0.259 1.979 808 HB3 ARG 99 2HB ARG 99 11.428 -1.321 2.057 809 HG2 ARG 99 1HG ARG 99 13.334 -1.773 3.196 810 HG3 ARG 99 2HG ARG 99 13.889 -2.145 1.564 811 HD2 ARG 99 1HD ARG 99 14.664 0.281 1.453 812 HD3 ARG 99 2HD ARG 99 14.400 0.330 3.193 813 HE ARG 99 HE ARG 99 16.552 -0.966 1.798 814 HH11 ARG 99 1HH1 ARG 99 14.680 -0.917 4.755 815 HH12 ARG 99 2HH1 ARG 99 15.925 -1.652 5.705 816 HH21 ARG 99 1HH2 ARG 99 18.193 -1.940 3.053 817 HH22 ARG 99 2HH2 ARG 99 17.921 -2.234 4.739 818 H LYS 100 H LYS 100 11.771 -3.185 -0.649 819 HA LYS 100 HA LYS 100 8.883 -2.762 -1.062 820 HB2 LYS 100 1HB LYS 100 8.959 -4.420 -2.845 821 HB3 LYS 100 2HB LYS 100 10.096 -3.121 -3.179 822 HG2 LYS 100 1HG LYS 100 11.950 -4.469 -2.645 823 HG3 LYS 100 2HG LYS 100 10.937 -5.698 -1.889 824 HD2 LYS 100 1HD LYS 100 10.675 -6.751 -3.829 825 HD3 LYS 100 2HD LYS 100 10.108 -5.272 -4.606 826 HE2 LYS 100 1HE LYS 100 12.203 -4.712 -5.375 827 HE3 LYS 100 2HE LYS 100 13.028 -5.616 -4.107 828 HZ1 LYS 100 3HZ LYS 100 11.871 -6.592 -6.629 829 HZ2 LYS 100 1HZ LYS 100 11.987 -7.646 -5.310 830 HZ3 LYS 100 2HZ LYS 100 13.381 -6.925 -5.943 831 H ILE 101 H ILE 101 7.469 -4.470 -0.499 832 HA ILE 101 HA ILE 101 8.584 -6.769 0.889 833 HB ILE 101 HB ILE 101 8.460 -5.091 2.657 834 HG12 ILE 101 1HG1 ILE 101 6.169 -6.936 3.225 835 HG13 ILE 101 2HG1 ILE 101 7.763 -7.614 2.908 836 HG21 ILE 101 1HG2 ILE 101 6.589 -3.795 1.590 837 HG22 ILE 101 2HG2 ILE 101 6.458 -4.021 3.333 838 HG23 ILE 101 3HG2 ILE 101 5.483 -5.004 2.243 839 HD11 ILE 101 3HD1 ILE 101 6.776 -6.701 5.335 840 HD12 ILE 101 1HD1 ILE 101 7.922 -5.464 4.816 841 HD13 ILE 101 2HD1 ILE 101 8.443 -7.142 4.959 842 HA PRO 102 HA PRO 102 4.888 -8.343 -1.071 843 HB2 PRO 102 1HB PRO 102 5.491 -10.941 -0.921 844 HB3 PRO 102 2HB PRO 102 6.373 -9.859 -2.007 845 HG2 PRO 102 1HG PRO 102 7.183 -10.950 0.652 846 HG3 PRO 102 2HG PRO 102 8.164 -10.691 -0.800 847 HD2 PRO 102 1HD PRO 102 8.049 -8.985 1.394 848 HD3 PRO 102 2HD PRO 102 8.627 -8.541 -0.222 849 H HIS 103 H HIS 103 3.037 -9.599 -0.478 850 HA HIS 103 HA HIS 103 2.864 -10.411 2.331 851 HB2 HIS 103 1HB HIS 103 1.454 -8.167 1.070 852 HB3 HIS 103 2HB HIS 103 0.386 -9.291 1.908 853 HD1 HIS 103 HD1 HIS 103 0.186 -8.974 4.364 854 HD2 HIS 103 HD2 HIS 103 3.606 -7.181 2.827 855 HE1 HIS 103 HE1 HIS 103 1.212 -7.722 6.288 856 HE2 HIS 103 HE2 HIS 103 3.364 -6.790 5.370 857 H ASP 104 H ASP 104 0.644 -11.506 2.722 858 HA ASP 104 HA ASP 104 -0.072 -13.119 0.363 859 HB2 ASP 104 1HB ASP 104 1.330 -14.139 2.434 860 HB3 ASP 104 2HB ASP 104 -0.307 -14.392 3.030 861 H LEU 105 H LEU 105 -2.231 -13.738 0.169 862 HA LEU 105 HA LEU 105 -4.100 -12.726 2.185 863 HB2 LEU 105 1HB LEU 105 -3.858 -10.987 0.447 864 HB3 LEU 105 2HB LEU 105 -4.339 -12.152 -0.770 865 HG LEU 105 HG LEU 105 -6.471 -12.339 0.840 866 HD11 LEU 105 1HD1 LEU 105 -7.092 -10.230 1.765 867 HD12 LEU 105 2HD1 LEU 105 -5.649 -9.456 1.111 868 HD13 LEU 105 3HD1 LEU 105 -5.502 -10.654 2.397 869 HD21 LEU 105 3HD2 LEU 105 -7.637 -11.180 -0.787 870 HD22 LEU 105 1HD2 LEU 105 -6.174 -11.663 -1.645 871 HD23 LEU 105 2HD2 LEU 105 -6.337 -10.016 -1.037 872 H ASN 106 H ASN 106 -4.087 -15.089 2.587 873 HA ASN 106 HA ASN 106 -6.357 -16.300 1.348 874 HB2 ASN 106 1HB ASN 106 -4.457 -16.746 -0.292 875 HB3 ASN 106 2HB ASN 106 -3.751 -17.777 0.949 876 HD21 ASN 106 2HD2 ASN 106 -7.083 -17.292 -0.209 877 HD22 ASN 106 1HD2 ASN 106 -7.372 -18.956 -0.567 878 H PHE 107 H PHE 107 -5.945 -15.626 3.958 879 HA PHE 107 HA PHE 107 -5.911 -18.257 5.243 880 HB2 PHE 107 1HB PHE 107 -4.395 -15.848 6.271 881 HB3 PHE 107 2HB PHE 107 -4.598 -17.363 7.141 882 HD1 PHE 107 HD2 PHE 107 -3.041 -15.784 4.197 883 HD2 PHE 107 HD1 PHE 107 -3.250 -19.253 6.655 884 HE1 PHE 107 HE2 PHE 107 -1.024 -16.673 3.109 885 HE2 PHE 107 HE1 PHE 107 -1.230 -20.146 5.571 886 HZ PHE 107 HZ PHE 107 -0.115 -18.856 3.793 887 H LEU 108 H LEU 108 -7.513 -18.547 6.673 888 HA LEU 108 HA LEU 108 -9.606 -16.704 6.911 889 HB2 LEU 108 1HB LEU 108 -10.550 -18.222 8.559 890 HB3 LEU 108 2HB LEU 108 -9.930 -19.106 7.179 891 HG LEU 108 HG LEU 108 -7.781 -19.211 8.835 892 HD11 LEU 108 1HD1 LEU 108 -9.039 -20.021 11.023 893 HD12 LEU 108 2HD1 LEU 108 -10.194 -18.791 10.507 894 HD13 LEU 108 3HD1 LEU 108 -8.513 -18.352 10.808 895 HD21 LEU 108 3HD2 LEU 108 -10.120 -21.035 8.432 896 HD22 LEU 108 1HD2 LEU 108 -8.797 -21.491 9.506 897 HD23 LEU 108 2HD2 LEU 108 -8.477 -21.166 7.801 898 H GLN 109 H GLN 109 -10.023 -15.100 8.283 899 HA GLN 109 HA GLN 109 -9.817 -13.576 9.946 900 HB2 GLN 109 1HB GLN 109 -9.667 -15.981 11.219 901 HB3 GLN 109 2HB GLN 109 -8.145 -15.250 11.709 902 HG2 GLN 109 1HG GLN 109 -9.214 -14.091 13.255 903 HG3 GLN 109 2HG GLN 109 -10.140 -13.276 11.996 904 HE21 GLN 109 2HE2 GLN 109 -10.530 -14.773 14.793 905 HE22 GLN 109 1HE2 GLN 109 -12.064 -15.530 14.556 906 H GLU 110 H GLU 110 -8.266 -12.878 8.082 907 HA GLU 110 HA GLU 110 -5.487 -12.747 8.940 908 HB2 GLU 110 1HB GLU 110 -6.099 -13.243 6.551 909 HB3 GLU 110 2HB GLU 110 -6.717 -11.604 6.432 910 HG2 GLU 110 1HG GLU 110 -4.622 -10.652 6.531 911 HG3 GLU 110 2HG GLU 110 -3.913 -12.044 7.347 912 H SER 111 H SER 111 -4.574 -11.024 9.786 913 HA SER 111 HA SER 111 -5.908 -8.422 9.639 914 HB2 SER 111 1HB SER 111 -6.385 -9.738 11.830 915 HB3 SER 111 2HB SER 111 -4.712 -9.353 12.239 916 HG SER 111 HG SER 111 -6.909 -7.768 12.303 917 H TYR 112 H TYR 112 -4.139 -8.392 7.995 918 HA TYR 112 HA TYR 112 -1.497 -7.905 9.174 919 HB2 TYR 112 1HB TYR 112 -2.452 -8.848 6.532 920 HB3 TYR 112 2HB TYR 112 -1.030 -7.814 6.517 921 HD1 TYR 112 HD1 TYR 112 0.732 -8.520 8.478 922 HD2 TYR 112 HD2 TYR 112 -2.036 -11.111 6.545 923 HE1 TYR 112 HE1 TYR 112 2.146 -10.447 9.049 924 HE2 TYR 112 HE2 TYR 112 -0.631 -13.045 7.113 925 HH TYR 112 HH TYR 112 2.451 -12.903 7.927 926 H GLU 113 H GLU 113 -0.289 -6.065 8.561 927 HA GLU 113 HA GLU 113 -1.451 -3.913 7.078 928 HB2 GLU 113 1HB GLU 113 -2.553 -3.951 9.455 929 HB3 GLU 113 2HB GLU 113 -1.027 -3.246 9.968 930 HG2 GLU 113 1HG GLU 113 -1.506 -1.590 7.983 931 HG3 GLU 113 2HG GLU 113 -3.169 -2.102 8.259 932 H VAL 114 H VAL 114 0.083 -2.517 6.378 933 HA VAL 114 HA VAL 114 2.765 -2.719 7.593 934 HB VAL 114 HB VAL 114 2.176 -2.246 4.667 935 HG11 VAL 114 1HG1 VAL 114 4.765 -2.648 6.161 936 HG12 VAL 114 2HG1 VAL 114 4.228 -1.181 5.342 937 HG13 VAL 114 3HG1 VAL 114 4.612 -2.625 4.403 938 HG21 VAL 114 3HG2 VAL 114 2.568 -4.446 4.202 939 HG22 VAL 114 1HG2 VAL 114 1.783 -4.603 5.773 940 HG23 VAL 114 2HG2 VAL 114 3.540 -4.695 5.651 941 H GLU 115 H GLU 115 3.949 -0.854 7.827 942 HA GLU 115 HA GLU 115 2.771 1.663 6.910 943 HB2 GLU 115 1HB GLU 115 3.615 1.116 9.763 944 HB3 GLU 115 2HB GLU 115 3.174 2.695 9.127 945 HG2 GLU 115 1HG GLU 115 0.919 1.983 8.754 946 HG3 GLU 115 2HG GLU 115 1.327 0.319 9.163 947 H HIS 116 H HIS 116 4.313 2.432 5.627 948 HA HIS 116 HA HIS 116 7.108 2.330 6.566 949 HB2 HIS 116 1HB HIS 116 5.880 1.961 3.901 950 HB3 HIS 116 2HB HIS 116 7.354 2.922 3.930 951 HD1 HIS 116 HD1 HIS 116 9.307 1.513 3.423 952 HD2 HIS 116 HD2 HIS 116 6.449 -0.566 5.609 953 HE1 HIS 116 HE1 HIS 116 10.260 -0.790 3.757 954 HE2 HIS 116 HE2 HIS 116 8.480 -2.053 5.016 955 H VAL 117 H VAL 117 7.887 4.193 7.253 956 HA VAL 117 HA VAL 117 6.569 6.692 6.521 957 HB VAL 117 HB VAL 117 7.023 6.229 8.902 958 HG11 VAL 117 1HG1 VAL 117 9.040 4.969 8.810 959 HG12 VAL 117 2HG1 VAL 117 9.392 6.452 9.696 960 HG13 VAL 117 3HG1 VAL 117 9.901 6.288 8.016 961 HG21 VAL 117 3HG2 VAL 117 6.855 8.544 8.092 962 HG22 VAL 117 1HG2 VAL 117 8.601 8.572 7.840 963 HG23 VAL 117 2HG2 VAL 117 7.948 8.403 9.468 964 H ILE 118 H ILE 118 7.629 8.476 5.658 965 HA ILE 118 HA ILE 118 10.381 8.146 4.719 966 HB ILE 118 HB ILE 118 8.211 9.089 2.845 967 HG12 ILE 118 1HG1 ILE 118 9.498 6.349 2.930 968 HG13 ILE 118 2HG1 ILE 118 7.855 6.704 3.451 969 HG21 ILE 118 1HG2 ILE 118 10.111 8.379 1.202 970 HG22 ILE 118 2HG2 ILE 118 11.142 8.570 2.620 971 HG23 ILE 118 3HG2 ILE 118 10.190 9.933 2.032 972 HD11 ILE 118 3HD1 ILE 118 7.496 5.906 1.343 973 HD12 ILE 118 1HD1 ILE 118 8.991 6.594 0.708 974 HD13 ILE 118 2HD1 ILE 118 7.605 7.638 1.028 975 H GLN 119 H GLN 119 11.383 9.857 5.612 976 HA GLN 119 HA GLN 119 10.101 12.499 5.356 977 HB2 GLN 119 1HB GLN 119 11.621 11.453 7.750 978 HB3 GLN 119 2HB GLN 119 11.082 13.114 7.553 979 HG2 GLN 119 1HG GLN 119 8.776 12.414 7.585 980 HG3 GLN 119 2HG GLN 119 9.259 10.720 7.645 981 HE21 GLN 119 2HE2 GLN 119 9.878 13.752 9.400 982 HE22 GLN 119 1HE2 GLN 119 9.785 13.052 10.977 983 H ILE 120 H ILE 120 11.320 13.962 4.347 984 HA ILE 120 HA ILE 120 14.200 13.974 4.658 985 HB ILE 120 HB ILE 120 14.508 14.133 2.121 986 HG12 ILE 120 1HG1 ILE 120 12.410 12.250 1.538 987 HG13 ILE 120 2HG1 ILE 120 11.713 13.731 2.185 988 HG21 ILE 120 1HG2 ILE 120 15.184 12.245 3.680 989 HG22 ILE 120 2HG2 ILE 120 15.034 11.855 1.967 990 HG23 ILE 120 3HG2 ILE 120 13.755 11.395 3.092 991 HD11 ILE 120 3HD1 ILE 120 13.014 13.224 -0.384 992 HD12 ILE 120 1HD1 ILE 120 13.497 14.725 0.404 993 HD13 ILE 120 2HD1 ILE 120 11.794 14.416 0.061 994 HA PRO 121 HA PRO 121 12.048 18.116 3.885 995 HB2 PRO 121 1HB PRO 121 12.301 19.171 6.365 996 HB3 PRO 121 2HB PRO 121 10.911 18.193 5.883 997 HG2 PRO 121 1HG PRO 121 13.330 17.405 7.455 998 HG3 PRO 121 2HG PRO 121 11.631 16.977 7.724 999 HD2 PRO 121 1HD PRO 121 13.416 15.303 6.530 1000 HD3 PRO 121 2HD PRO 121 11.679 15.289 6.171 1001 H LEU 122 H LEU 122 14.945 17.195 5.691 1002 HA LEU 122 HA LEU 122 16.253 19.723 5.199 1003 HB2 LEU 122 1HB LEU 122 16.571 17.670 7.049 1004 HB3 LEU 122 2HB LEU 122 17.996 17.553 6.036 1005 HG LEU 122 HG LEU 122 17.185 20.193 7.209 1006 HD11 LEU 122 1HD1 LEU 122 19.056 19.429 8.945 1007 HD12 LEU 122 2HD1 LEU 122 18.334 17.854 8.613 1008 HD13 LEU 122 3HD1 LEU 122 17.334 19.171 9.226 1009 HD21 LEU 122 3HD2 LEU 122 19.019 19.736 5.397 1010 HD22 LEU 122 1HD2 LEU 122 19.974 19.223 6.788 1011 HD23 LEU 122 2HD2 LEU 122 19.327 20.862 6.717 1012 H ASN 123 H ASN 123 16.250 16.492 3.818 1013 HA ASN 123 HA ASN 123 18.329 17.303 1.906 1014 HB2 ASN 123 1HB ASN 123 17.330 14.596 2.791 1015 HB3 ASN 123 2HB ASN 123 18.324 14.797 1.353 1016 HD21 ASN 123 2HD2 ASN 123 18.280 14.593 4.764 1017 HD22 ASN 123 1HD2 ASN 123 19.972 14.818 5.027 Start of MODEL 4 1 H1 MET 1 1H MET 1 7.838 25.022 -0.208 2 H2 MET 1 2H MET 1 6.924 26.468 -0.085 3 H3 MET 1 3H MET 1 7.754 25.856 1.286 4 HA MET 1 HA MET 1 9.063 26.718 -1.203 5 HB2 MET 1 1HB MET 1 8.099 28.214 1.170 6 HB3 MET 1 2HB MET 1 9.718 28.611 0.609 7 HG2 MET 1 1HG MET 1 8.477 30.107 -0.585 8 HG3 MET 1 2HG MET 1 8.555 28.765 -1.722 9 HE1 MET 1 3HE MET 1 5.619 27.556 -2.534 10 HE2 MET 1 1HE MET 1 7.033 28.483 -3.038 11 HE3 MET 1 2HE MET 1 5.445 29.249 -2.999 12 H VAL 2 H VAL 2 9.507 26.420 2.344 13 HA VAL 2 HA VAL 2 12.301 26.143 2.237 14 HB VAL 2 HB VAL 2 12.073 25.133 4.542 15 HG11 VAL 2 1HG1 VAL 2 11.081 27.273 5.514 16 HG12 VAL 2 2HG1 VAL 2 10.860 27.791 3.844 17 HG13 VAL 2 3HG1 VAL 2 12.478 27.441 4.453 18 HG21 VAL 2 3HG2 VAL 2 10.017 24.861 5.576 19 HG22 VAL 2 1HG2 VAL 2 9.702 24.269 3.945 20 HG23 VAL 2 2HG2 VAL 2 9.179 25.888 4.411 21 H ALA 3 H ALA 3 13.555 24.222 2.899 22 HA ALA 3 HA ALA 3 12.769 21.937 1.298 23 HB1 ALA 3 3HB ALA 3 15.295 22.777 2.669 24 HB2 ALA 3 1HB ALA 3 14.998 22.479 0.956 25 HB3 ALA 3 2HB ALA 3 15.097 21.126 2.081 26 H THR 4 H THR 4 11.130 20.894 2.414 27 HA THR 4 HA THR 4 12.000 19.265 4.647 28 HB THR 4 HB THR 4 9.631 19.938 5.719 29 HG1 THR 4 HG1 THR 4 10.570 22.401 4.687 30 HG21 THR 4 3HG2 THR 4 12.092 21.598 6.187 31 HG22 THR 4 1HG2 THR 4 11.802 20.005 6.883 32 HG23 THR 4 2HG2 THR 4 10.743 21.352 7.296 33 H VAL 5 H VAL 5 11.359 17.259 4.213 34 HA VAL 5 HA VAL 5 8.805 16.892 2.788 35 HB VAL 5 HB VAL 5 11.237 15.150 2.377 36 HG11 VAL 5 1HG1 VAL 5 8.737 14.410 1.967 37 HG12 VAL 5 2HG1 VAL 5 10.021 13.967 0.843 38 HG13 VAL 5 3HG1 VAL 5 8.956 15.322 0.473 39 HG21 VAL 5 3HG2 VAL 5 10.953 16.365 0.005 40 HG22 VAL 5 1HG2 VAL 5 12.023 16.965 1.272 41 HG23 VAL 5 2HG2 VAL 5 10.421 17.670 1.065 42 H LYS 6 H LYS 6 7.403 15.800 3.960 43 HA LYS 6 HA LYS 6 8.354 13.618 5.683 44 HB2 LYS 6 1HB LYS 6 6.658 15.961 6.425 45 HB3 LYS 6 2HB LYS 6 6.294 14.408 7.162 46 HG2 LYS 6 1HG LYS 6 7.725 15.332 8.700 47 HG3 LYS 6 2HG LYS 6 8.834 14.372 7.718 48 HD2 LYS 6 1HD LYS 6 10.020 16.287 7.627 49 HD3 LYS 6 2HD LYS 6 8.866 16.717 6.364 50 HE2 LYS 6 1HE LYS 6 8.444 17.361 9.275 51 HE3 LYS 6 2HE LYS 6 9.239 18.460 8.148 52 HZ1 LYS 6 3HZ LYS 6 7.046 17.986 6.782 53 HZ2 LYS 6 1HZ LYS 6 7.115 19.196 7.965 54 HZ3 LYS 6 2HZ LYS 6 6.424 17.697 8.328 55 H ARG 7 H ARG 7 7.611 11.887 4.619 56 HA ARG 7 HA ARG 7 4.786 11.873 3.777 57 HB2 ARG 7 1HB ARG 7 7.044 11.470 2.213 58 HB3 ARG 7 2HB ARG 7 6.464 9.842 2.533 59 HG2 ARG 7 1HG ARG 7 4.183 10.677 1.778 60 HG3 ARG 7 2HG ARG 7 5.034 12.097 1.166 61 HD2 ARG 7 1HD ARG 7 6.500 9.890 0.263 62 HD3 ARG 7 2HD ARG 7 4.806 9.461 0.028 63 HE ARG 7 HE ARG 7 4.658 11.047 -1.616 64 HH11 ARG 7 1HH1 ARG 7 7.612 11.572 0.192 65 HH12 ARG 7 2HH1 ARG 7 8.218 12.762 -0.908 66 HH21 ARG 7 1HH2 ARG 7 5.466 12.609 -3.066 67 HH22 ARG 7 2HH2 ARG 7 7.000 13.351 -2.759 68 H THR 8 H THR 8 3.891 9.580 3.627 69 HA THR 8 HA THR 8 4.986 7.557 5.309 70 HB THR 8 HB THR 8 4.192 9.079 7.061 71 HG1 THR 8 HG1 THR 8 2.490 6.818 6.841 72 HG21 THR 8 3HG2 THR 8 2.349 10.123 5.727 73 HG22 THR 8 1HG2 THR 8 1.925 9.670 7.378 74 HG23 THR 8 2HG2 THR 8 1.403 8.664 6.026 75 H ILE 9 H ILE 9 4.340 5.686 4.456 76 HA ILE 9 HA ILE 9 1.820 5.653 2.939 77 HB ILE 9 HB ILE 9 3.823 5.175 1.591 78 HG12 ILE 9 1HG1 ILE 9 2.365 2.566 1.803 79 HG13 ILE 9 2HG1 ILE 9 1.472 4.016 1.353 80 HG21 ILE 9 1HG2 ILE 9 5.413 3.677 2.114 81 HG22 ILE 9 2HG2 ILE 9 4.255 2.512 2.751 82 HG23 ILE 9 3HG2 ILE 9 4.787 3.860 3.752 83 HD11 ILE 9 3HD1 ILE 9 2.188 3.859 -0.727 84 HD12 ILE 9 1HD1 ILE 9 2.962 2.330 -0.305 85 HD13 ILE 9 2HD1 ILE 9 3.870 3.837 -0.195 86 H ARG 10 H ARG 10 0.182 4.495 3.708 87 HA ARG 10 HA ARG 10 0.773 2.372 5.668 88 HB2 ARG 10 1HB ARG 10 -0.569 4.663 6.228 89 HB3 ARG 10 2HB ARG 10 -1.902 3.623 5.746 90 HG2 ARG 10 1HG ARG 10 -0.526 1.989 7.428 91 HG3 ARG 10 2HG ARG 10 -0.245 3.572 8.157 92 HD2 ARG 10 1HD ARG 10 -2.996 2.708 7.335 93 HD3 ARG 10 2HD ARG 10 -2.313 2.214 8.884 94 HE ARG 10 HE ARG 10 -2.178 5.048 8.392 95 HH11 ARG 10 1HH1 ARG 10 -4.130 2.440 9.674 96 HH12 ARG 10 2HH1 ARG 10 -5.073 3.480 10.689 97 HH21 ARG 10 1HH2 ARG 10 -3.429 6.415 9.732 98 HH22 ARG 10 2HH2 ARG 10 -4.675 5.732 10.722 99 H ILE 11 H ILE 11 0.253 0.404 4.993 100 HA ILE 11 HA ILE 11 -1.995 0.114 3.110 101 HB ILE 11 HB ILE 11 -0.744 -1.983 2.308 102 HG12 ILE 11 1HG1 ILE 11 1.662 -0.458 3.291 103 HG13 ILE 11 2HG1 ILE 11 0.963 -1.806 4.181 104 HG21 ILE 11 1HG2 ILE 11 0.820 0.329 1.395 105 HG22 ILE 11 2HG2 ILE 11 -0.930 0.528 1.324 106 HG23 ILE 11 3HG2 ILE 11 -0.161 -0.815 0.478 107 HD11 ILE 11 3HD1 ILE 11 1.558 -2.330 1.352 108 HD12 ILE 11 1HD1 ILE 11 1.808 -3.337 2.777 109 HD13 ILE 11 2HD1 ILE 11 2.951 -2.050 2.395 110 H LYS 12 H LYS 12 -3.536 -1.331 3.629 111 HA LYS 12 HA LYS 12 -3.023 -3.114 5.922 112 HB2 LYS 12 1HB LYS 12 -5.339 -1.352 5.271 113 HB3 LYS 12 2HB LYS 12 -5.653 -2.862 6.112 114 HG2 LYS 12 1HG LYS 12 -4.554 -2.190 8.015 115 HG3 LYS 12 2HG LYS 12 -3.544 -1.028 7.150 116 HD2 LYS 12 1HD LYS 12 -6.485 -0.586 7.196 117 HD3 LYS 12 2HD LYS 12 -5.568 -0.254 8.666 118 HE2 LYS 12 1HE LYS 12 -4.635 1.591 7.803 119 HE3 LYS 12 2HE LYS 12 -4.330 0.819 6.249 120 HZ1 LYS 12 3HZ LYS 12 -6.666 2.345 7.138 121 HZ2 LYS 12 1HZ LYS 12 -6.915 1.096 6.023 122 HZ3 LYS 12 2HZ LYS 12 -5.865 2.370 5.649 123 H THR 13 H THR 13 -3.883 -5.180 5.877 124 HA THR 13 HA THR 13 -5.236 -6.039 3.421 125 HB THR 13 HB THR 13 -3.175 -7.872 4.541 126 HG1 THR 13 HG1 THR 13 -1.887 -6.118 4.404 127 HG21 THR 13 3HG2 THR 13 -4.771 -8.040 2.378 128 HG22 THR 13 1HG2 THR 13 -3.218 -8.861 2.535 129 HG23 THR 13 2HG2 THR 13 -3.322 -7.334 1.660 130 H GLN 14 H GLN 14 -7.082 -6.969 3.992 131 HA GLN 14 HA GLN 14 -7.161 -8.591 6.453 132 HB2 GLN 14 1HB GLN 14 -8.370 -6.396 6.616 133 HB3 GLN 14 2HB GLN 14 -9.437 -6.949 5.334 134 HG2 GLN 14 1HG GLN 14 -10.637 -8.225 6.715 135 HG3 GLN 14 2HG GLN 14 -9.213 -8.812 7.572 136 HE21 GLN 14 2HE2 GLN 14 -9.723 -8.502 9.651 137 HE22 GLN 14 1HE2 GLN 14 -10.182 -6.986 10.344 138 H GLN 15 H GLN 15 -8.471 -10.478 6.419 139 HA GLN 15 HA GLN 15 -9.851 -11.204 3.981 140 HB2 GLN 15 1HB GLN 15 -7.471 -11.779 3.525 141 HB3 GLN 15 2HB GLN 15 -7.493 -12.848 4.920 142 HG2 GLN 15 1HG GLN 15 -9.605 -13.808 3.563 143 HG3 GLN 15 2HG GLN 15 -8.617 -13.216 2.228 144 HE21 GLN 15 2HE2 GLN 15 -9.343 -15.957 3.139 145 HE22 GLN 15 1HE2 GLN 15 -7.834 -16.780 3.314 146 H HIS 16 H HIS 16 -11.371 -12.853 4.294 147 HA HIS 16 HA HIS 16 -11.349 -14.291 6.835 148 HB2 HIS 16 1HB HIS 16 -13.775 -12.680 6.032 149 HB3 HIS 16 2HB HIS 16 -13.555 -13.617 7.499 150 HD1 HIS 16 HD1 HIS 16 -11.676 -12.651 9.187 151 HD2 HIS 16 HD2 HIS 16 -13.079 -10.065 6.256 152 HE1 HIS 16 HE1 HIS 16 -11.071 -10.344 9.982 153 HE2 HIS 16 HE2 HIS 16 -12.056 -8.791 8.260 154 H ILE 17 H ILE 17 -11.748 -16.369 6.383 155 HA ILE 17 HA ILE 17 -13.134 -17.042 3.909 156 HB ILE 17 HB ILE 17 -11.923 -18.941 5.923 157 HG12 ILE 17 1HG1 ILE 17 -10.677 -17.886 3.374 158 HG13 ILE 17 2HG1 ILE 17 -10.262 -17.318 4.987 159 HG21 ILE 17 1HG2 ILE 17 -13.190 -20.328 4.654 160 HG22 ILE 17 2HG2 ILE 17 -11.782 -20.241 3.598 161 HG23 ILE 17 3HG2 ILE 17 -13.195 -19.241 3.265 162 HD11 ILE 17 3HD1 ILE 17 -9.314 -19.401 5.573 163 HD12 ILE 17 1HD1 ILE 17 -8.701 -19.000 3.970 164 HD13 ILE 17 2HD1 ILE 17 -9.990 -20.189 4.147 165 H LEU 18 H LEU 18 -15.288 -16.777 4.139 166 HA LEU 18 HA LEU 18 -16.705 -18.620 5.847 167 HB2 LEU 18 1HB LEU 18 -16.216 -16.075 6.853 168 HB3 LEU 18 2HB LEU 18 -17.849 -15.973 6.223 169 HG LEU 18 HG LEU 18 -17.070 -18.226 8.045 170 HD11 LEU 18 1HD1 LEU 18 -18.290 -15.747 9.157 171 HD12 LEU 18 2HD1 LEU 18 -16.542 -15.817 8.934 172 HD13 LEU 18 3HD1 LEU 18 -17.349 -17.003 9.960 173 HD21 LEU 18 3HD2 LEU 18 -19.304 -17.882 6.654 174 HD22 LEU 18 1HD2 LEU 18 -19.716 -16.877 8.044 175 HD23 LEU 18 2HD2 LEU 18 -19.308 -18.577 8.274 176 HA PRO 19 HA PRO 19 -18.895 -18.250 1.908 177 HB2 PRO 19 1HB PRO 19 -20.518 -20.417 2.350 178 HB3 PRO 19 2HB PRO 19 -18.878 -20.524 1.700 179 HG2 PRO 19 1HG PRO 19 -19.851 -20.987 4.484 180 HG3 PRO 19 2HG PRO 19 -18.623 -21.869 3.559 181 HD2 PRO 19 1HD PRO 19 -17.987 -20.053 5.463 182 HD3 PRO 19 2HD PRO 19 -16.977 -20.333 4.032 183 H GLU 20 H GLU 20 -20.735 -19.174 4.840 184 HA GLU 20 HA GLU 20 -22.745 -18.506 5.663 185 HB2 GLU 20 1HB GLU 20 -21.239 -16.258 5.329 186 HB3 GLU 20 2HB GLU 20 -22.680 -15.839 4.411 187 HG2 GLU 20 1HG GLU 20 -24.040 -15.880 6.261 188 HG3 GLU 20 2HG GLU 20 -22.971 -16.961 7.154 189 H VAL 21 H VAL 21 -22.573 -19.545 2.807 190 HA VAL 21 HA VAL 21 -25.226 -18.611 1.944 191 HB VAL 21 HB VAL 21 -23.524 -17.741 0.418 192 HG11 VAL 21 1HG1 VAL 21 -22.200 -19.299 -0.984 193 HG12 VAL 21 2HG1 VAL 21 -22.749 -20.629 0.037 194 HG13 VAL 21 3HG1 VAL 21 -21.758 -19.343 0.722 195 HG21 VAL 21 3HG2 VAL 21 -24.376 -18.799 -1.704 196 HG22 VAL 21 1HG2 VAL 21 -25.612 -18.193 -0.604 197 HG23 VAL 21 2HG2 VAL 21 -25.278 -19.922 -0.687 198 HA PRO 22 HA PRO 22 -26.499 -22.849 2.354 199 HB2 PRO 22 1HB PRO 22 -28.413 -22.858 0.345 200 HB3 PRO 22 2HB PRO 22 -28.685 -22.317 2.005 201 HG2 PRO 22 1HG PRO 22 -28.101 -20.706 -0.445 202 HG3 PRO 22 2HG PRO 22 -29.217 -20.358 0.890 203 HD2 PRO 22 1HD PRO 22 -26.843 -19.139 0.709 204 HD3 PRO 22 2HD PRO 22 -27.515 -19.617 2.283 205 HA PRO 23 HA PRO 23 -24.157 -24.984 -0.769 206 HB2 PRO 23 1HB PRO 23 -25.053 -27.514 -0.343 207 HB3 PRO 23 2HB PRO 23 -23.923 -26.695 0.742 208 HG2 PRO 23 1HG PRO 23 -26.881 -27.054 1.006 209 HG3 PRO 23 2HG PRO 23 -25.619 -27.207 2.244 210 HD2 PRO 23 1HD PRO 23 -27.174 -25.000 2.006 211 HD3 PRO 23 2HD PRO 23 -25.495 -24.930 2.578 212 H VAL 24 H VAL 24 -25.011 -24.167 -2.672 213 HA VAL 24 HA VAL 24 -27.256 -25.677 -3.842 214 HB VAL 24 HB VAL 24 -27.767 -23.292 -3.527 215 HG11 VAL 24 1HG1 VAL 24 -25.886 -22.458 -5.655 216 HG12 VAL 24 2HG1 VAL 24 -25.211 -22.745 -4.052 217 HG13 VAL 24 3HG1 VAL 24 -26.500 -21.563 -4.266 218 HG21 VAL 24 3HG2 VAL 24 -27.519 -24.308 -6.344 219 HG22 VAL 24 1HG2 VAL 24 -28.327 -22.792 -5.953 220 HG23 VAL 24 2HG2 VAL 24 -28.937 -24.311 -5.297 221 H GLU 25 H GLU 25 -24.059 -24.294 -4.459 222 HA GLU 25 HA GLU 25 -23.297 -26.355 -6.216 223 HB2 GLU 25 1HB GLU 25 -23.014 -24.810 -8.266 224 HB3 GLU 25 2HB GLU 25 -24.600 -25.498 -7.952 225 HG2 GLU 25 1HG GLU 25 -25.531 -23.495 -7.711 226 HG3 GLU 25 2HG GLU 25 -24.243 -22.931 -6.650 227 H ASN 26 H ASN 26 -22.819 -22.957 -5.359 228 HA ASN 26 HA ASN 26 -20.015 -22.963 -5.924 229 HB2 ASN 26 1HB ASN 26 -22.020 -21.044 -5.220 230 HB3 ASN 26 2HB ASN 26 -20.664 -20.868 -4.115 231 HD21 ASN 26 2HD2 ASN 26 -21.821 -19.408 -6.592 232 HD22 ASN 26 1HD2 ASN 26 -20.406 -19.041 -7.513 233 H PHE 27 H PHE 27 -18.642 -21.938 -3.962 234 HA PHE 27 HA PHE 27 -19.101 -22.863 -1.355 235 HB2 PHE 27 1HB PHE 27 -18.266 -24.930 -3.063 236 HB3 PHE 27 2HB PHE 27 -16.838 -24.489 -2.135 237 HD1 PHE 27 HD1 PHE 27 -17.897 -23.800 0.473 238 HD2 PHE 27 HD2 PHE 27 -19.067 -26.904 -2.193 239 HE1 PHE 27 HE1 PHE 27 -18.720 -25.120 2.379 240 HE2 PHE 27 HE2 PHE 27 -19.894 -28.229 -0.292 241 HZ PHE 27 HZ PHE 27 -19.722 -27.337 1.997 242 HA PRO 28 HA PRO 28 -14.442 -21.420 -1.831 243 HB2 PRO 28 1HB PRO 28 -14.458 -20.425 -4.619 244 HB3 PRO 28 2HB PRO 28 -13.223 -21.348 -3.760 245 HG2 PRO 28 1HG PRO 28 -14.738 -22.489 -5.638 246 HG3 PRO 28 2HG PRO 28 -14.265 -23.377 -4.178 247 HD2 PRO 28 1HD PRO 28 -16.875 -22.068 -4.839 248 HD3 PRO 28 2HD PRO 28 -16.566 -23.630 -4.050 249 H VAL 29 H VAL 29 -15.565 -19.901 -0.473 250 HA VAL 29 HA VAL 29 -15.805 -17.245 -1.712 251 HB VAL 29 HB VAL 29 -17.643 -18.244 0.465 252 HG11 VAL 29 1HG1 VAL 29 -18.863 -16.228 0.143 253 HG12 VAL 29 2HG1 VAL 29 -17.910 -15.804 -1.278 254 HG13 VAL 29 3HG1 VAL 29 -17.165 -15.783 0.320 255 HG21 VAL 29 3HG2 VAL 29 -19.399 -18.259 -1.290 256 HG22 VAL 29 1HG2 VAL 29 -18.154 -19.481 -1.535 257 HG23 VAL 29 2HG2 VAL 29 -18.141 -18.005 -2.499 258 H ARG 30 H ARG 30 -14.374 -15.911 -0.833 259 HA ARG 30 HA ARG 30 -13.892 -16.010 2.056 260 HB2 ARG 30 1HB ARG 30 -11.596 -15.647 0.140 261 HB3 ARG 30 2HB ARG 30 -11.538 -15.990 1.863 262 HG2 ARG 30 1HG ARG 30 -12.033 -18.233 1.571 263 HG3 ARG 30 2HG ARG 30 -12.740 -17.975 -0.023 264 HD2 ARG 30 1HD ARG 30 -10.205 -17.134 -0.459 265 HD3 ARG 30 2HD ARG 30 -9.931 -18.372 0.767 266 HE ARG 30 HE ARG 30 -11.618 -19.163 -1.452 267 HH11 ARG 30 1HH1 ARG 30 -8.365 -19.093 -0.149 268 HH12 ARG 30 2HH1 ARG 30 -7.809 -20.397 -1.143 269 HH21 ARG 30 1HH2 ARG 30 -10.878 -20.877 -2.757 270 HH22 ARG 30 2HH2 ARG 30 -9.236 -21.408 -2.625 271 H GLN 31 H GLN 31 -12.755 -14.011 2.832 272 HA GLN 31 HA GLN 31 -13.746 -11.688 1.333 273 HB2 GLN 31 1HB GLN 31 -13.875 -12.396 4.062 274 HB3 GLN 31 2HB GLN 31 -12.769 -11.037 3.956 275 HG2 GLN 31 1HG GLN 31 -14.461 -9.726 2.801 276 HG3 GLN 31 2HG GLN 31 -15.571 -11.092 2.868 277 HE21 GLN 31 2HE2 GLN 31 -16.294 -11.805 4.963 278 HE22 GLN 31 1HE2 GLN 31 -16.386 -10.677 6.269 279 H TRP 32 H TRP 32 -12.424 -9.838 1.056 280 HA TRP 32 HA TRP 32 -9.627 -9.960 1.758 281 HB2 TRP 32 1HB TRP 32 -8.865 -9.709 -0.618 282 HB3 TRP 32 2HB TRP 32 -9.510 -11.298 -0.226 283 HD1 TRP 32 HD1 TRP 32 -12.387 -11.360 -0.857 284 HE1 TRP 32 HE1 TRP 32 -13.404 -10.701 -3.126 285 HE3 TRP 32 HE3 TRP 32 -8.579 -8.456 -2.638 286 HZ2 TRP 32 HZ2 TRP 32 -12.682 -9.156 -5.380 287 HZ3 TRP 32 HZ3 TRP 32 -8.819 -7.426 -4.860 288 HH2 TRP 32 HH2 TRP 32 -10.828 -7.771 -6.201 289 H SER 33 H SER 33 -8.800 -7.985 2.052 290 HA SER 33 HA SER 33 -9.992 -5.684 0.700 291 HB2 SER 33 1HB SER 33 -11.272 -5.736 2.725 292 HB3 SER 33 2HB SER 33 -9.830 -6.016 3.699 293 HG SER 33 HG SER 33 -9.278 -3.944 3.518 294 H ILE 34 H ILE 34 -8.453 -4.360 -0.026 295 HA ILE 34 HA ILE 34 -5.918 -4.174 1.440 296 HB ILE 34 HB ILE 34 -5.572 -5.750 -0.429 297 HG12 ILE 34 1HG1 ILE 34 -3.775 -4.136 -1.614 298 HG13 ILE 34 2HG1 ILE 34 -4.163 -3.139 -0.216 299 HG21 ILE 34 1HG2 ILE 34 -6.154 -5.364 -2.569 300 HG22 ILE 34 2HG2 ILE 34 -5.752 -3.650 -2.485 301 HG23 ILE 34 3HG2 ILE 34 -7.290 -4.227 -1.845 302 HD11 ILE 34 3HD1 ILE 34 -3.757 -5.440 1.044 303 HD12 ILE 34 1HD1 ILE 34 -2.448 -4.322 0.658 304 HD13 ILE 34 2HD1 ILE 34 -2.742 -5.724 -0.370 305 H GLU 35 H GLU 35 -5.239 -2.146 1.725 306 HA GLU 35 HA GLU 35 -6.206 -0.038 -0.078 307 HB2 GLU 35 1HB GLU 35 -6.596 1.430 1.895 308 HB3 GLU 35 2HB GLU 35 -7.690 0.058 1.815 309 HG2 GLU 35 1HG GLU 35 -5.439 -0.728 3.339 310 HG3 GLU 35 2HG GLU 35 -5.972 0.843 3.930 311 H ILE 36 H ILE 36 -4.937 1.923 -0.030 312 HA ILE 36 HA ILE 36 -2.400 1.901 1.357 313 HB ILE 36 HB ILE 36 -1.806 0.560 -0.574 314 HG12 ILE 36 1HG1 ILE 36 -0.762 3.388 -0.874 315 HG13 ILE 36 2HG1 ILE 36 -0.158 2.200 0.278 316 HG21 ILE 36 1HG2 ILE 36 -2.579 0.876 -2.637 317 HG22 ILE 36 2HG2 ILE 36 -2.136 2.585 -2.626 318 HG23 ILE 36 3HG2 ILE 36 -3.674 2.068 -1.934 319 HD11 ILE 36 3HD1 ILE 36 0.510 0.764 -1.605 320 HD12 ILE 36 1HD1 ILE 36 1.310 2.334 -1.622 321 HD13 ILE 36 2HD1 ILE 36 -0.030 2.017 -2.722 322 H VAL 37 H VAL 37 -1.805 3.908 1.860 323 HA VAL 37 HA VAL 37 -2.780 6.156 0.240 324 HB VAL 37 HB VAL 37 -3.224 7.457 2.310 325 HG11 VAL 37 1HG1 VAL 37 -5.262 6.856 1.597 326 HG12 VAL 37 2HG1 VAL 37 -5.238 5.753 2.972 327 HG13 VAL 37 3HG1 VAL 37 -4.796 5.171 1.367 328 HG21 VAL 37 3HG2 VAL 37 -1.803 5.638 3.646 329 HG22 VAL 37 1HG2 VAL 37 -3.415 4.981 3.925 330 HG23 VAL 37 2HG2 VAL 37 -3.039 6.631 4.418 331 H LEU 38 H LEU 38 -1.568 8.179 0.640 332 HA LEU 38 HA LEU 38 0.938 8.020 2.049 333 HB2 LEU 38 1HB LEU 38 2.212 8.623 -0.115 334 HB3 LEU 38 2HB LEU 38 1.832 6.943 0.212 335 HG LEU 38 HG LEU 38 -0.208 8.334 -1.376 336 HD11 LEU 38 1HD1 LEU 38 1.580 7.779 -3.365 337 HD12 LEU 38 2HD1 LEU 38 2.608 8.503 -2.131 338 HD13 LEU 38 3HD1 LEU 38 1.212 9.387 -2.742 339 HD21 LEU 38 3HD2 LEU 38 0.661 6.131 -2.754 340 HD22 LEU 38 1HD2 LEU 38 -0.638 6.149 -1.560 341 HD23 LEU 38 2HD2 LEU 38 0.996 5.691 -1.079 342 H LEU 39 H LEU 39 2.319 10.058 1.466 343 HA LEU 39 HA LEU 39 0.476 12.353 1.431 344 HB2 LEU 39 1HB LEU 39 2.896 11.696 2.951 345 HB3 LEU 39 2HB LEU 39 2.889 13.327 2.306 346 HG LEU 39 HG LEU 39 0.604 12.232 3.930 347 HD11 LEU 39 1HD1 LEU 39 1.554 12.976 5.902 348 HD12 LEU 39 2HD1 LEU 39 2.720 14.007 5.072 349 HD13 LEU 39 3HD1 LEU 39 2.931 12.256 5.068 350 HD21 LEU 39 3HD2 LEU 39 1.373 14.863 2.791 351 HD22 LEU 39 1HD2 LEU 39 0.568 14.849 4.359 352 HD23 LEU 39 2HD2 LEU 39 -0.218 14.123 2.958 353 H ASP 40 H ASP 40 1.433 14.402 0.544 354 HA ASP 40 HA ASP 40 3.515 14.187 -1.414 355 HB2 ASP 40 1HB ASP 40 0.817 13.687 -2.241 356 HB3 ASP 40 2HB ASP 40 1.344 15.220 -2.934 357 H ASP 41 H ASP 41 0.620 16.122 -0.629 358 HA ASP 41 HA ASP 41 1.621 18.629 -1.306 359 HB2 ASP 41 1HB ASP 41 -0.110 19.554 0.182 360 HB3 ASP 41 2HB ASP 41 -0.743 18.257 -0.824 361 H GLU 42 H GLU 42 1.926 16.837 1.745 362 HA GLU 42 HA GLU 42 3.455 19.014 2.930 363 HB2 GLU 42 1HB GLU 42 2.208 16.519 3.930 364 HB3 GLU 42 2HB GLU 42 3.660 17.056 4.762 365 HG2 GLU 42 1HG GLU 42 2.518 18.584 5.876 366 HG3 GLU 42 2HG GLU 42 1.927 19.288 4.372 367 H GLY 43 H GLY 43 3.995 15.886 1.447 368 HA2 GLY 43 1HA GLY 43 6.860 16.108 2.099 369 HA3 GLY 43 2HA GLY 43 6.038 14.602 1.713 370 H LYS 44 H LYS 44 6.434 17.809 0.206 371 HA LYS 44 HA LYS 44 6.995 18.458 -1.888 372 HB2 LYS 44 1HB LYS 44 8.609 16.047 -1.394 373 HB3 LYS 44 2HB LYS 44 8.414 16.478 -3.084 374 HG2 LYS 44 1HG LYS 44 9.052 18.877 -2.141 375 HG3 LYS 44 2HG LYS 44 9.856 17.883 -0.925 376 HD2 LYS 44 1HD LYS 44 11.044 16.683 -2.704 377 HD3 LYS 44 2HD LYS 44 10.238 17.685 -3.913 378 HE2 LYS 44 1HE LYS 44 12.031 19.014 -3.746 379 HE3 LYS 44 2HE LYS 44 11.308 19.560 -2.235 380 HZ1 LYS 44 3HZ LYS 44 13.769 18.631 -2.374 381 HZ2 LYS 44 1HZ LYS 44 12.969 17.161 -2.113 382 HZ3 LYS 44 2HZ LYS 44 12.807 18.423 -0.999 383 H GLU 45 H GLU 45 5.063 18.571 -2.929 384 HA GLU 45 HA GLU 45 3.637 16.297 -3.876 385 HB2 GLU 45 1HB GLU 45 2.209 17.927 -5.043 386 HB3 GLU 45 2HB GLU 45 2.464 18.357 -3.357 387 HG2 GLU 45 1HG GLU 45 4.495 19.678 -4.683 388 HG3 GLU 45 2HG GLU 45 3.119 19.820 -5.774 389 H ILE 46 H ILE 46 6.198 18.233 -5.201 390 HA ILE 46 HA ILE 46 5.788 17.090 -7.870 391 HB ILE 46 HB ILE 46 7.838 19.161 -7.092 392 HG12 ILE 46 1HG1 ILE 46 5.669 20.262 -8.616 393 HG13 ILE 46 2HG1 ILE 46 5.013 19.481 -7.181 394 HG21 ILE 46 1HG2 ILE 46 8.008 17.755 -9.236 395 HG22 ILE 46 2HG2 ILE 46 8.164 19.507 -9.369 396 HG23 ILE 46 3HG2 ILE 46 6.647 18.723 -9.806 397 HD11 ILE 46 3HD1 ILE 46 5.687 21.973 -7.091 398 HD12 ILE 46 1HD1 ILE 46 7.329 21.346 -6.936 399 HD13 ILE 46 2HD1 ILE 46 6.103 20.914 -5.745 400 HA PRO 47 HA PRO 47 8.810 13.921 -6.925 401 HB2 PRO 47 1HB PRO 47 8.999 13.822 -9.889 402 HB3 PRO 47 2HB PRO 47 8.684 12.518 -8.739 403 HG2 PRO 47 1HG PRO 47 6.726 13.510 -10.247 404 HG3 PRO 47 2HG PRO 47 6.430 13.048 -8.560 405 HD2 PRO 47 1HD PRO 47 6.789 15.767 -9.750 406 HD3 PRO 47 2HD PRO 47 5.690 15.236 -8.462 407 H ALA 48 H ALA 48 11.075 13.400 -7.573 408 HA ALA 48 HA ALA 48 12.555 15.668 -8.698 409 HB1 ALA 48 3HB ALA 48 12.707 14.689 -5.918 410 HB2 ALA 48 1HB ALA 48 13.019 16.293 -6.579 411 HB3 ALA 48 2HB ALA 48 14.245 15.033 -6.711 412 H THR 49 H THR 49 12.918 12.378 -7.357 413 HA THR 49 HA THR 49 14.922 11.832 -9.441 414 HB THR 49 HB THR 49 14.526 10.234 -6.909 415 HG1 THR 49 HG1 THR 49 15.166 12.149 -6.125 416 HG21 THR 49 3HG2 THR 49 17.171 10.460 -8.155 417 HG22 THR 49 1HG2 THR 49 15.972 9.556 -9.079 418 HG23 THR 49 2HG2 THR 49 16.365 9.069 -7.431 419 H ILE 50 H ILE 50 12.576 9.912 -7.514 420 HA ILE 50 HA ILE 50 11.553 8.815 -10.023 421 HB ILE 50 HB ILE 50 12.338 7.061 -7.691 422 HG12 ILE 50 1HG1 ILE 50 14.270 7.886 -9.026 423 HG13 ILE 50 2HG1 ILE 50 14.050 6.144 -9.132 424 HG21 ILE 50 1HG2 ILE 50 10.590 5.886 -8.558 425 HG22 ILE 50 2HG2 ILE 50 11.861 5.323 -9.643 426 HG23 ILE 50 3HG2 ILE 50 10.761 6.600 -10.161 427 HD11 ILE 50 3HD1 ILE 50 13.843 6.233 -11.339 428 HD12 ILE 50 1HD1 ILE 50 14.350 7.919 -11.235 429 HD13 ILE 50 2HD1 ILE 50 12.635 7.515 -11.244 430 H PHE 51 H PHE 51 10.926 7.800 -6.660 431 HA PHE 51 HA PHE 51 9.042 7.773 -5.403 432 HB2 PHE 51 1HB PHE 51 9.088 10.180 -5.465 433 HB3 PHE 51 2HB PHE 51 8.379 10.203 -7.076 434 HD1 PHE 51 HD1 PHE 51 7.533 8.680 -3.758 435 HD2 PHE 51 HD2 PHE 51 6.200 10.894 -7.143 436 HE1 PHE 51 HE1 PHE 51 5.282 8.835 -2.770 437 HE2 PHE 51 HE2 PHE 51 3.953 11.051 -6.158 438 HZ PHE 51 HZ PHE 51 3.491 10.020 -3.971 439 H ASP 52 H ASP 52 8.094 5.889 -5.874 440 HA ASP 52 HA ASP 52 5.725 5.901 -7.491 441 HB2 ASP 52 1HB ASP 52 7.654 5.472 -9.121 442 HB3 ASP 52 2HB ASP 52 7.860 3.927 -8.300 443 H LYS 53 H LYS 53 4.379 4.981 -6.081 444 HA LYS 53 HA LYS 53 5.343 2.698 -4.507 445 HB2 LYS 53 1HB LYS 53 2.877 4.373 -4.012 446 HB3 LYS 53 2HB LYS 53 3.579 3.173 -2.935 447 HG2 LYS 53 1HG LYS 53 5.266 4.553 -2.256 448 HG3 LYS 53 2HG LYS 53 5.275 5.466 -3.765 449 HD2 LYS 53 1HD LYS 53 3.668 6.901 -3.062 450 HD3 LYS 53 2HD LYS 53 2.815 5.661 -2.141 451 HE2 LYS 53 1HE LYS 53 3.854 7.481 -0.764 452 HE3 LYS 53 2HE LYS 53 4.336 5.845 -0.321 453 HZ1 LYS 53 3HZ LYS 53 5.990 7.972 -0.947 454 HZ2 LYS 53 1HZ LYS 53 6.122 6.903 -2.252 455 HZ3 LYS 53 2HZ LYS 53 6.447 6.369 -0.683 456 H VAL 54 H VAL 54 4.926 0.837 -5.505 457 HA VAL 54 HA VAL 54 2.407 0.528 -6.981 458 HB VAL 54 HB VAL 54 4.633 -1.492 -6.994 459 HG11 VAL 54 1HG1 VAL 54 2.577 -0.734 -9.062 460 HG12 VAL 54 2HG1 VAL 54 2.460 -2.104 -7.958 461 HG13 VAL 54 3HG1 VAL 54 3.739 -2.058 -9.172 462 HG21 VAL 54 3HG2 VAL 54 5.626 0.704 -7.542 463 HG22 VAL 54 1HG2 VAL 54 4.446 0.887 -8.839 464 HG23 VAL 54 2HG2 VAL 54 5.637 -0.409 -8.908 465 H ILE 55 H ILE 55 0.932 -1.046 -6.529 466 HA ILE 55 HA ILE 55 1.370 -2.627 -4.081 467 HB ILE 55 HB ILE 55 -1.364 -1.763 -4.976 468 HG12 ILE 55 1HG1 ILE 55 -0.890 -0.065 -2.935 469 HG13 ILE 55 2HG1 ILE 55 0.725 -0.141 -3.630 470 HG21 ILE 55 1HG2 ILE 55 -0.149 -2.995 -2.562 471 HG22 ILE 55 2HG2 ILE 55 -1.674 -3.353 -3.374 472 HG23 ILE 55 3HG2 ILE 55 -1.538 -1.931 -2.340 473 HD11 ILE 55 3HD1 ILE 55 -0.661 0.272 -5.863 474 HD12 ILE 55 1HD1 ILE 55 -0.085 1.584 -4.837 475 HD13 ILE 55 2HD1 ILE 55 -1.756 1.035 -4.712 476 H TYR 56 H TYR 56 0.509 -4.692 -3.998 477 HA TYR 56 HA TYR 56 -0.722 -5.810 -6.397 478 HB2 TYR 56 1HB TYR 56 1.823 -6.073 -6.501 479 HB3 TYR 56 2HB TYR 56 1.659 -7.173 -5.138 480 HD1 TYR 56 HD1 TYR 56 0.819 -6.658 -8.694 481 HD2 TYR 56 HD2 TYR 56 0.851 -9.404 -5.443 482 HE1 TYR 56 HE1 TYR 56 0.366 -8.500 -10.255 483 HE2 TYR 56 HE2 TYR 56 0.399 -11.255 -6.997 484 HH TYR 56 HH TYR 56 -0.753 -10.893 -10.008 485 H HIS 57 H HIS 57 -2.321 -7.151 -5.877 486 HA HIS 57 HA HIS 57 -2.239 -8.626 -3.361 487 HB2 HIS 57 1HB HIS 57 -4.560 -7.911 -2.807 488 HB3 HIS 57 2HB HIS 57 -3.399 -6.592 -2.744 489 HD1 HIS 57 HD1 HIS 57 -6.650 -7.369 -4.002 490 HD2 HIS 57 HD2 HIS 57 -3.472 -5.039 -5.322 491 HE1 HIS 57 HE1 HIS 57 -7.633 -5.783 -5.691 492 HE2 HIS 57 HE2 HIS 57 -5.690 -4.383 -6.476 493 H LEU 58 H LEU 58 -2.697 -10.676 -3.793 494 HA LEU 58 HA LEU 58 -3.695 -12.544 -4.637 495 HB2 LEU 58 1HB LEU 58 -5.641 -10.451 -5.334 496 HB3 LEU 58 2HB LEU 58 -5.675 -11.848 -6.388 497 HG LEU 58 HG LEU 58 -5.720 -13.124 -4.039 498 HD11 LEU 58 1HD1 LEU 58 -7.501 -11.652 -2.743 499 HD12 LEU 58 2HD1 LEU 58 -6.575 -10.340 -3.473 500 HD13 LEU 58 3HD1 LEU 58 -5.771 -11.514 -2.433 501 HD21 LEU 58 3HD2 LEU 58 -7.780 -12.110 -5.882 502 HD22 LEU 58 1HD2 LEU 58 -8.364 -12.647 -4.306 503 HD23 LEU 58 2HD2 LEU 58 -7.453 -13.753 -5.333 504 H HIS 59 H HIS 59 -3.940 -13.738 -6.735 505 HA HIS 59 HA HIS 59 -1.885 -12.856 -8.546 506 HB2 HIS 59 1HB HIS 59 -2.406 -15.297 -7.727 507 HB3 HIS 59 2HB HIS 59 -3.538 -15.294 -9.075 508 HD1 HIS 59 HD1 HIS 59 -0.918 -13.266 -10.262 509 HD2 HIS 59 HD2 HIS 59 -1.315 -17.360 -9.649 510 HE1 HIS 59 HE1 HIS 59 0.841 -14.334 -11.702 511 HE2 HIS 59 HE2 HIS 59 0.635 -16.806 -11.256 512 HA PRO 60 HA PRO 60 -5.934 -13.169 -11.502 513 HB2 PRO 60 1HB PRO 60 -7.588 -11.797 -9.433 514 HB3 PRO 60 2HB PRO 60 -8.072 -12.912 -10.713 515 HG2 PRO 60 1HG PRO 60 -7.853 -13.755 -8.203 516 HG3 PRO 60 2HG PRO 60 -7.326 -14.779 -9.549 517 HD2 PRO 60 1HD PRO 60 -5.711 -13.237 -7.588 518 HD3 PRO 60 2HD PRO 60 -5.332 -14.761 -8.415 519 H THR 61 H THR 61 -4.917 -10.640 -9.270 520 HA THR 61 HA THR 61 -5.812 -8.480 -10.939 521 HB THR 61 HB THR 61 -4.553 -7.042 -9.385 522 HG1 THR 61 HG1 THR 61 -2.802 -8.362 -8.924 523 HG21 THR 61 3HG2 THR 61 -6.831 -8.027 -8.760 524 HG22 THR 61 1HG2 THR 61 -5.843 -7.332 -7.476 525 HG23 THR 61 2HG2 THR 61 -5.920 -9.082 -7.677 526 H PHE 62 H PHE 62 -3.581 -10.694 -11.596 527 HA PHE 62 HA PHE 62 -1.234 -9.294 -12.195 528 HB2 PHE 62 1HB PHE 62 -0.593 -11.192 -13.476 529 HB3 PHE 62 2HB PHE 62 -1.544 -11.806 -12.134 530 HD1 PHE 62 HD2 PHE 62 -1.648 -11.024 -15.751 531 HD2 PHE 62 HD1 PHE 62 -3.505 -13.062 -12.508 532 HE1 PHE 62 HE2 PHE 62 -3.099 -12.220 -17.336 533 HE2 PHE 62 HE1 PHE 62 -4.954 -14.263 -14.088 534 HZ PHE 62 HZ PHE 62 -4.754 -13.844 -16.506 535 H ALA 63 H ALA 63 -4.243 -9.647 -13.972 536 HA ALA 63 HA ALA 63 -3.371 -8.737 -16.484 537 HB1 ALA 63 3HB ALA 63 -5.579 -8.691 -17.097 538 HB2 ALA 63 1HB ALA 63 -6.119 -8.087 -15.530 539 HB3 ALA 63 2HB ALA 63 -5.650 -9.778 -15.710 540 H ASN 64 H ASN 64 -4.361 -6.995 -13.585 541 HA ASN 64 HA ASN 64 -3.205 -4.570 -14.668 542 HB2 ASN 64 1HB ASN 64 -5.705 -4.677 -15.299 543 HB3 ASN 64 2HB ASN 64 -6.006 -4.384 -13.590 544 HD21 ASN 64 2HD2 ASN 64 -5.556 -2.386 -12.714 545 HD22 ASN 64 1HD2 ASN 64 -5.181 -1.005 -13.683 546 HA PRO 65 HA PRO 65 -2.223 -5.005 -10.216 547 HB2 PRO 65 1HB PRO 65 0.170 -3.734 -10.372 548 HB3 PRO 65 2HB PRO 65 -0.037 -5.439 -10.795 549 HG2 PRO 65 1HG PRO 65 0.080 -3.041 -12.589 550 HG3 PRO 65 2HG PRO 65 0.869 -4.619 -12.779 551 HD2 PRO 65 1HD PRO 65 -1.401 -3.962 -14.097 552 HD3 PRO 65 2HD PRO 65 -1.049 -5.622 -13.578 553 H ASN 66 H ASN 66 -1.170 -3.140 -8.729 554 HA ASN 66 HA ASN 66 -2.711 -0.696 -9.311 555 HB2 ASN 66 1HB ASN 66 -2.118 -2.106 -6.719 556 HB3 ASN 66 2HB ASN 66 -2.593 -0.412 -6.747 557 HD21 ASN 66 2HD2 ASN 66 -4.539 -0.159 -8.454 558 HD22 ASN 66 1HD2 ASN 66 -5.867 -1.209 -8.112 559 H ARG 67 H ARG 67 -1.785 1.313 -8.976 560 HA ARG 67 HA ARG 67 0.971 1.467 -8.038 561 HB2 ARG 67 1HB ARG 67 1.541 2.896 -10.078 562 HB3 ARG 67 2HB ARG 67 1.445 1.159 -10.325 563 HG2 ARG 67 1HG ARG 67 -0.915 2.921 -10.867 564 HG3 ARG 67 2HG ARG 67 0.368 2.718 -12.060 565 HD2 ARG 67 1HD ARG 67 -0.248 0.135 -11.184 566 HD3 ARG 67 2HD ARG 67 -1.802 0.945 -11.375 567 HE ARG 67 HE ARG 67 -1.478 0.984 -13.645 568 HH11 ARG 67 1HH1 ARG 67 1.542 0.146 -12.081 569 HH12 ARG 67 2HH1 ARG 67 2.318 -0.323 -13.556 570 HH21 ARG 67 1HH2 ARG 67 -0.449 0.361 -15.586 571 HH22 ARG 67 2HH2 ARG 67 1.188 -0.201 -15.545 572 H THR 68 H THR 68 1.631 3.563 -7.418 573 HA THR 68 HA THR 68 -0.464 5.624 -7.387 574 HB THR 68 HB THR 68 1.288 5.354 -4.988 575 HG1 THR 68 HG1 THR 68 0.403 3.589 -4.315 576 HG21 THR 68 3HG2 THR 68 -0.060 7.078 -4.521 577 HG22 THR 68 1HG2 THR 68 -1.190 5.804 -4.062 578 HG23 THR 68 2HG2 THR 68 -1.306 6.554 -5.654 579 H PHE 69 H PHE 69 0.296 7.353 -8.390 580 HA PHE 69 HA PHE 69 2.848 8.479 -7.671 581 HB2 PHE 69 1HB PHE 69 3.714 8.575 -9.995 582 HB3 PHE 69 2HB PHE 69 3.617 6.938 -9.368 583 HD1 PHE 69 HD1 PHE 69 1.301 5.722 -9.932 584 HD2 PHE 69 HD2 PHE 69 3.000 8.943 -12.135 585 HE1 PHE 69 HE1 PHE 69 -0.006 5.057 -11.906 586 HE2 PHE 69 HE2 PHE 69 1.697 8.283 -14.113 587 HZ PHE 69 HZ PHE 69 0.190 6.340 -14.001 588 H THR 70 H THR 70 0.156 8.616 -9.995 589 HA THR 70 HA THR 70 -0.029 11.508 -9.497 590 HB THR 70 HB THR 70 0.992 11.034 -11.724 591 HG1 THR 70 HG1 THR 70 -0.079 12.652 -12.591 592 HG21 THR 70 3HG2 THR 70 -0.074 9.971 -13.458 593 HG22 THR 70 1HG2 THR 70 -1.667 10.120 -12.714 594 HG23 THR 70 2HG2 THR 70 -0.507 8.950 -12.088 595 H ASP 71 H ASP 71 -1.446 9.222 -8.310 596 HA ASP 71 HA ASP 71 -4.171 10.109 -8.890 597 HB2 ASP 71 1HB ASP 71 -3.151 7.289 -9.061 598 HB3 ASP 71 2HB ASP 71 -4.825 7.598 -8.612 599 HA PRO 72 HA PRO 72 -4.740 10.066 -4.513 600 HB2 PRO 72 1HB PRO 72 -7.307 9.183 -4.258 601 HB3 PRO 72 2HB PRO 72 -6.890 10.803 -4.831 602 HG2 PRO 72 1HG PRO 72 -7.629 8.366 -6.408 603 HG3 PRO 72 2HG PRO 72 -8.163 10.044 -6.625 604 HD2 PRO 72 1HD PRO 72 -6.240 8.946 -8.160 605 HD3 PRO 72 2HD PRO 72 -6.212 10.660 -7.698 606 HA PRO 73 HA PRO 73 -4.099 6.152 -2.551 607 HB2 PRO 73 1HB PRO 73 -5.969 6.083 -0.525 608 HB3 PRO 73 2HB PRO 73 -4.440 6.964 -0.449 609 HG2 PRO 73 1HG PRO 73 -7.178 7.972 -1.108 610 HG3 PRO 73 2HG PRO 73 -5.922 8.718 -0.102 611 HD2 PRO 73 1HD PRO 73 -6.375 9.543 -2.605 612 HD3 PRO 73 2HD PRO 73 -4.727 9.479 -1.944 613 H PHE 74 H PHE 74 -5.363 4.115 -1.644 614 HA PHE 74 HA PHE 74 -7.792 3.603 -3.179 615 HB2 PHE 74 1HB PHE 74 -5.159 2.480 -3.776 616 HB3 PHE 74 2HB PHE 74 -6.387 1.245 -3.522 617 HD1 PHE 74 HD1 PHE 74 -8.767 2.130 -4.676 618 HD2 PHE 74 HD2 PHE 74 -4.793 2.906 -5.992 619 HE1 PHE 74 HE1 PHE 74 -9.598 2.488 -6.962 620 HE2 PHE 74 HE2 PHE 74 -5.619 3.264 -8.280 621 HZ PHE 74 HZ PHE 74 -8.023 3.056 -8.769 622 H ARG 75 H ARG 75 -8.918 1.673 -2.492 623 HA ARG 75 HA ARG 75 -8.127 0.116 -0.293 624 HB2 ARG 75 1HB ARG 75 -9.645 1.041 1.417 625 HB3 ARG 75 2HB ARG 75 -8.364 2.151 0.986 626 HG2 ARG 75 1HG ARG 75 -10.775 2.538 -0.597 627 HG3 ARG 75 2HG ARG 75 -11.036 2.747 1.135 628 HD2 ARG 75 1HD ARG 75 -10.058 4.739 1.075 629 HD3 ARG 75 2HD ARG 75 -8.592 4.031 0.399 630 HE ARG 75 HE ARG 75 -9.207 4.805 -1.664 631 HH11 ARG 75 1HH1 ARG 75 -11.993 4.942 0.455 632 HH12 ARG 75 2HH1 ARG 75 -12.963 5.826 -0.672 633 HH21 ARG 75 1HH2 ARG 75 -10.495 5.963 -3.151 634 HH22 ARG 75 2HH2 ARG 75 -12.113 6.407 -2.720 635 H ILE 76 H ILE 76 -8.903 -1.375 -1.871 636 HA ILE 76 HA ILE 76 -11.806 -1.452 -2.267 637 HB ILE 76 HB ILE 76 -9.750 -3.243 -3.557 638 HG12 ILE 76 1HG1 ILE 76 -10.703 -1.408 -5.460 639 HG13 ILE 76 2HG1 ILE 76 -10.295 -0.441 -4.046 640 HG21 ILE 76 1HG2 ILE 76 -12.382 -3.636 -3.429 641 HG22 ILE 76 2HG2 ILE 76 -11.418 -4.083 -4.835 642 HG23 ILE 76 3HG2 ILE 76 -12.331 -2.575 -4.838 643 HD11 ILE 76 3HD1 ILE 76 -8.048 -1.297 -4.057 644 HD12 ILE 76 1HD1 ILE 76 -8.442 -0.665 -5.656 645 HD13 ILE 76 2HD1 ILE 76 -8.440 -2.405 -5.370 646 H GLU 77 H GLU 77 -13.024 -2.746 -1.067 647 HA GLU 77 HA GLU 77 -11.846 -5.199 0.044 648 HB2 GLU 77 1HB GLU 77 -13.154 -4.842 2.121 649 HB3 GLU 77 2HB GLU 77 -11.922 -3.617 1.867 650 HG2 GLU 77 1HG GLU 77 -13.498 -2.109 2.235 651 HG3 GLU 77 2HG GLU 77 -14.164 -2.546 0.664 652 H GLU 78 H GLU 78 -12.882 -6.880 -0.778 653 HA GLU 78 HA GLU 78 -15.807 -6.797 -0.987 654 HB2 GLU 78 1HB GLU 78 -13.853 -7.187 -3.191 655 HB3 GLU 78 2HB GLU 78 -15.281 -8.209 -3.203 656 HG2 GLU 78 1HG GLU 78 -16.726 -6.347 -3.363 657 HG3 GLU 78 2HG GLU 78 -15.422 -5.217 -2.994 658 H GLN 79 H GLN 79 -16.610 -9.106 -1.631 659 HA GLN 79 HA GLN 79 -14.954 -11.138 -0.303 660 HB2 GLN 79 1HB GLN 79 -16.945 -12.069 0.789 661 HB3 GLN 79 2HB GLN 79 -16.622 -10.426 1.317 662 HG2 GLN 79 1HG GLN 79 -18.783 -10.063 0.934 663 HG3 GLN 79 2HG GLN 79 -18.343 -10.034 -0.774 664 HE21 GLN 79 2HE2 GLN 79 -18.904 -12.525 1.708 665 HE22 GLN 79 1HE2 GLN 79 -19.962 -13.488 0.740 666 H GLY 80 H GLY 80 -14.657 -12.881 -1.492 667 HA2 GLY 80 1HA GLY 80 -16.610 -14.259 -2.937 668 HA3 GLY 80 2HA GLY 80 -15.786 -13.188 -4.060 669 H TRP 81 H TRP 81 -15.045 -15.086 -5.170 670 HA TRP 81 HA TRP 81 -13.248 -16.880 -3.795 671 HB2 TRP 81 1HB TRP 81 -13.065 -18.050 -5.916 672 HB3 TRP 81 2HB TRP 81 -14.757 -17.705 -5.576 673 HD1 TRP 81 HD1 TRP 81 -15.683 -15.348 -6.918 674 HE1 TRP 81 HE1 TRP 81 -15.231 -14.695 -9.368 675 HE3 TRP 81 HE3 TRP 81 -11.543 -18.224 -7.779 676 HZ2 TRP 81 HZ2 TRP 81 -13.366 -15.320 -11.397 677 HZ3 TRP 81 HZ3 TRP 81 -10.484 -18.137 -9.997 678 HH2 TRP 81 HH2 TRP 81 -11.378 -16.714 -11.768 679 H GLY 82 H GLY 82 -11.193 -16.396 -3.404 680 HA2 GLY 82 1HA GLY 82 -9.452 -15.407 -5.443 681 HA3 GLY 82 2HA GLY 82 -9.818 -14.167 -4.254 682 H GLY 83 H GLY 83 -8.283 -13.974 -2.768 683 HA2 GLY 83 1HA GLY 83 -6.779 -14.547 -1.122 684 HA3 GLY 83 2HA GLY 83 -7.369 -16.197 -1.234 685 H PHE 84 H PHE 84 -4.852 -14.020 -2.038 686 HA PHE 84 HA PHE 84 -3.148 -16.167 -2.877 687 HB2 PHE 84 1HB PHE 84 -4.349 -14.343 -4.885 688 HB3 PHE 84 2HB PHE 84 -2.632 -14.670 -5.057 689 HD1 PHE 84 HD1 PHE 84 -2.409 -17.481 -4.296 690 HD2 PHE 84 HD2 PHE 84 -5.426 -15.498 -6.551 691 HE1 PHE 84 HE1 PHE 84 -2.936 -19.592 -5.442 692 HE2 PHE 84 HE2 PHE 84 -5.958 -17.606 -7.699 693 HZ PHE 84 HZ PHE 84 -4.713 -19.658 -7.146 694 HA PRO 85 HA PRO 85 0.278 -13.750 -1.513 695 HB2 PRO 85 1HB PRO 85 1.331 -13.602 -4.304 696 HB3 PRO 85 2HB PRO 85 2.145 -14.110 -2.820 697 HG2 PRO 85 1HG PRO 85 1.331 -15.916 -4.581 698 HG3 PRO 85 2HG PRO 85 1.151 -16.213 -2.842 699 HD2 PRO 85 1HD PRO 85 -0.908 -15.432 -4.856 700 HD3 PRO 85 2HD PRO 85 -1.050 -16.516 -3.458 701 H LEU 86 H LEU 86 1.410 -11.680 -1.677 702 HA LEU 86 HA LEU 86 0.158 -9.640 -3.353 703 HB2 LEU 86 1HB LEU 86 0.449 -9.334 -0.361 704 HB3 LEU 86 2HB LEU 86 -0.210 -8.150 -1.470 705 HG LEU 86 HG LEU 86 -1.946 -10.093 -1.967 706 HD11 LEU 86 1HD1 LEU 86 -0.570 -11.515 -0.270 707 HD12 LEU 86 2HD1 LEU 86 -2.329 -11.593 -0.272 708 HD13 LEU 86 3HD1 LEU 86 -1.492 -10.616 0.932 709 HD21 LEU 86 3HD2 LEU 86 -1.910 -8.144 0.317 710 HD22 LEU 86 1HD2 LEU 86 -3.320 -9.144 -0.037 711 HD23 LEU 86 2HD2 LEU 86 -2.723 -8.003 -1.242 712 H ASP 87 H ASP 87 1.352 -7.488 -3.035 713 HA ASP 87 HA ASP 87 4.040 -7.625 -2.035 714 HB2 ASP 87 1HB ASP 87 4.111 -8.798 -4.288 715 HB3 ASP 87 2HB ASP 87 3.736 -7.240 -5.012 716 H ILE 88 H ILE 88 4.870 -5.619 -1.625 717 HA ILE 88 HA ILE 88 3.510 -3.299 -2.800 718 HB ILE 88 HB ILE 88 2.476 -3.683 -0.606 719 HG12 ILE 88 1HG1 ILE 88 3.113 -1.397 0.397 720 HG13 ILE 88 2HG1 ILE 88 4.216 -1.251 -0.966 721 HG21 ILE 88 1HG2 ILE 88 4.691 -2.883 1.057 722 HG22 ILE 88 2HG2 ILE 88 5.049 -4.378 0.198 723 HG23 ILE 88 3HG2 ILE 88 3.611 -4.268 1.209 724 HD11 ILE 88 3HD1 ILE 88 2.402 -0.194 -1.822 725 HD12 ILE 88 1HD1 ILE 88 1.258 -1.167 -0.899 726 HD13 ILE 88 2HD1 ILE 88 2.035 -1.842 -2.330 727 H SER 89 H SER 89 4.880 -1.798 -3.516 728 HA SER 89 HA SER 89 7.615 -1.753 -2.418 729 HB2 SER 89 1HB SER 89 8.421 -1.227 -4.717 730 HB3 SER 89 2HB SER 89 7.719 -2.836 -4.581 731 HG SER 89 HG SER 89 5.893 -2.120 -5.610 732 H VAL 90 H VAL 90 7.981 0.118 -1.458 733 HA VAL 90 HA VAL 90 6.549 2.510 -2.389 734 HB VAL 90 HB VAL 90 8.031 2.167 0.222 735 HG11 VAL 90 1HG1 VAL 90 7.154 4.197 0.879 736 HG12 VAL 90 2HG1 VAL 90 5.832 4.125 -0.286 737 HG13 VAL 90 3HG1 VAL 90 7.468 4.485 -0.833 738 HG21 VAL 90 3HG2 VAL 90 5.759 0.798 -0.469 739 HG22 VAL 90 1HG2 VAL 90 5.109 2.231 0.326 740 HG23 VAL 90 2HG2 VAL 90 6.252 1.193 1.176 741 H PHE 91 H PHE 91 7.622 3.951 -3.551 742 HA PHE 91 HA PHE 91 10.530 4.225 -3.156 743 HB2 PHE 91 1HB PHE 91 8.973 4.063 -5.722 744 HB3 PHE 91 2HB PHE 91 10.513 4.906 -5.662 745 HD1 PHE 91 HD2 PHE 91 9.077 1.641 -4.536 746 HD2 PHE 91 HD1 PHE 91 12.356 3.710 -6.294 747 HE1 PHE 91 HE2 PHE 91 10.257 -0.494 -4.845 748 HE2 PHE 91 HE1 PHE 91 13.539 1.578 -6.609 749 HZ PHE 91 HZ PHE 91 12.490 -0.529 -5.884 750 H LEU 92 H LEU 92 11.407 6.320 -3.636 751 HA LEU 92 HA LEU 92 9.522 8.534 -3.869 752 HB2 LEU 92 1HB LEU 92 10.460 9.694 -1.923 753 HB3 LEU 92 2HB LEU 92 9.686 8.189 -1.470 754 HG LEU 92 HG LEU 92 12.616 8.110 -1.956 755 HD11 LEU 92 1HD1 LEU 92 12.910 9.903 -0.616 756 HD12 LEU 92 2HD1 LEU 92 12.646 8.707 0.652 757 HD13 LEU 92 3HD1 LEU 92 11.322 9.748 0.132 758 HD21 LEU 92 3HD2 LEU 92 12.539 6.262 -0.660 759 HD22 LEU 92 1HD2 LEU 92 10.846 6.274 -1.154 760 HD23 LEU 92 2HD2 LEU 92 11.310 6.930 0.416 761 H LEU 93 H LEU 93 11.277 10.621 -3.349 762 HA LEU 93 HA LEU 93 13.070 10.390 -5.635 763 HB2 LEU 93 1HB LEU 93 13.347 12.873 -5.309 764 HB3 LEU 93 2HB LEU 93 11.740 12.327 -5.743 765 HG LEU 93 HG LEU 93 11.582 12.390 -3.009 766 HD11 LEU 93 1HD1 LEU 93 13.710 13.395 -2.665 767 HD12 LEU 93 2HD1 LEU 93 12.488 14.640 -2.407 768 HD13 LEU 93 3HD1 LEU 93 13.406 14.605 -3.912 769 HD21 LEU 93 3HD2 LEU 93 10.984 14.908 -4.435 770 HD22 LEU 93 1HD2 LEU 93 9.957 13.918 -3.397 771 HD23 LEU 93 2HD2 LEU 93 10.242 13.440 -5.071 772 H GLU 94 H GLU 94 13.774 8.994 -3.241 773 HA GLU 94 HA GLU 94 16.478 9.841 -2.970 774 HB2 GLU 94 1HB GLU 94 14.649 10.974 -1.140 775 HB3 GLU 94 2HB GLU 94 15.506 9.719 -0.254 776 HG2 GLU 94 1HG GLU 94 16.877 11.873 -1.843 777 HG3 GLU 94 2HG GLU 94 16.521 11.993 -0.120 778 H LYS 95 H LYS 95 17.744 8.313 -1.658 779 HA LYS 95 HA LYS 95 16.545 5.649 -1.747 780 HB2 LYS 95 1HB LYS 95 19.400 6.602 -1.507 781 HB3 LYS 95 2HB LYS 95 18.946 4.913 -1.330 782 HG2 LYS 95 1HG LYS 95 19.533 4.966 -3.534 783 HG3 LYS 95 2HG LYS 95 17.803 5.293 -3.658 784 HD2 LYS 95 1HD LYS 95 18.801 7.805 -3.345 785 HD3 LYS 95 2HD LYS 95 20.107 7.025 -4.240 786 HE2 LYS 95 1HE LYS 95 17.452 6.403 -5.283 787 HE3 LYS 95 2HE LYS 95 17.835 8.124 -5.331 788 HZ1 LYS 95 3HZ LYS 95 18.521 6.993 -7.357 789 HZ2 LYS 95 1HZ LYS 95 19.521 5.956 -6.467 790 HZ3 LYS 95 2HZ LYS 95 19.861 7.612 -6.534 791 H ALA 96 H ALA 96 15.475 7.091 0.282 792 HA ALA 96 HA ALA 96 16.818 6.054 2.694 793 HB1 ALA 96 3HB ALA 96 15.593 7.850 3.924 794 HB2 ALA 96 1HB ALA 96 15.083 8.493 2.363 795 HB3 ALA 96 2HB ALA 96 16.796 8.439 2.776 796 H GLY 97 H GLY 97 13.707 6.472 1.053 797 HA2 GLY 97 1HA GLY 97 12.532 4.561 2.973 798 HA3 GLY 97 2HA GLY 97 11.620 5.849 2.210 799 H GLU 98 H GLU 98 13.961 3.892 0.469 800 HA GLU 98 HA GLU 98 11.816 2.954 -1.274 801 HB2 GLU 98 1HB GLU 98 14.748 3.324 -1.522 802 HB3 GLU 98 2HB GLU 98 14.057 1.983 -2.425 803 HG2 GLU 98 1HG GLU 98 12.483 3.545 -3.493 804 HG3 GLU 98 2HG GLU 98 13.248 4.877 -2.627 805 H ARG 99 H ARG 99 10.834 1.309 -0.095 806 HA ARG 99 HA ARG 99 12.412 -1.147 0.118 807 HB2 ARG 99 1HB ARG 99 11.155 0.325 2.363 808 HB3 ARG 99 2HB ARG 99 10.950 -1.421 2.360 809 HG2 ARG 99 1HG ARG 99 13.642 -0.132 2.070 810 HG3 ARG 99 2HG ARG 99 12.926 -0.488 3.644 811 HD2 ARG 99 1HD ARG 99 13.236 -2.715 3.427 812 HD3 ARG 99 2HD ARG 99 12.897 -2.701 1.698 813 HE ARG 99 HE ARG 99 15.399 -1.473 2.336 814 HH11 ARG 99 1HH1 ARG 99 13.829 -4.559 1.800 815 HH12 ARG 99 2HH1 ARG 99 15.290 -5.355 1.322 816 HH21 ARG 99 1HH2 ARG 99 17.316 -2.531 1.706 817 HH22 ARG 99 2HH2 ARG 99 17.266 -4.207 1.270 818 H LYS 100 H LYS 100 11.189 -3.083 0.137 819 HA LYS 100 HA LYS 100 8.339 -2.830 -0.511 820 HB2 LYS 100 1HB LYS 100 8.684 -4.612 -2.282 821 HB3 LYS 100 2HB LYS 100 9.298 -3.013 -2.671 822 HG2 LYS 100 1HG LYS 100 11.140 -5.008 -1.442 823 HG3 LYS 100 2HG LYS 100 10.720 -5.155 -3.150 824 HD2 LYS 100 1HD LYS 100 11.539 -2.475 -2.178 825 HD3 LYS 100 2HD LYS 100 12.795 -3.709 -2.296 826 HE2 LYS 100 1HE LYS 100 11.614 -4.063 -4.672 827 HE3 LYS 100 2HE LYS 100 11.237 -2.359 -4.422 828 HZ1 LYS 100 3HZ LYS 100 13.995 -3.303 -4.015 829 HZ2 LYS 100 1HZ LYS 100 13.441 -1.772 -4.477 830 HZ3 LYS 100 2HZ LYS 100 13.432 -3.044 -5.589 831 H ILE 101 H ILE 101 7.057 -4.606 0.074 832 HA ILE 101 HA ILE 101 8.376 -6.860 1.411 833 HB ILE 101 HB ILE 101 6.113 -5.360 2.728 834 HG12 ILE 101 1HG1 ILE 101 8.056 -4.874 4.433 835 HG13 ILE 101 2HG1 ILE 101 9.084 -5.091 3.021 836 HG21 ILE 101 1HG2 ILE 101 7.957 -7.396 3.949 837 HG22 ILE 101 2HG2 ILE 101 6.441 -7.834 3.163 838 HG23 ILE 101 3HG2 ILE 101 6.429 -6.783 4.578 839 HD11 ILE 101 3HD1 ILE 101 8.725 -2.968 2.523 840 HD12 ILE 101 1HD1 ILE 101 7.528 -2.821 3.811 841 HD13 ILE 101 2HD1 ILE 101 7.036 -3.369 2.209 842 HA PRO 102 HA PRO 102 4.993 -8.819 -0.808 843 HB2 PRO 102 1HB PRO 102 5.910 -11.324 -0.706 844 HB3 PRO 102 2HB PRO 102 6.699 -10.103 -1.714 845 HG2 PRO 102 1HG PRO 102 7.513 -11.173 0.953 846 HG3 PRO 102 2HG PRO 102 8.521 -10.757 -0.444 847 HD2 PRO 102 1HD PRO 102 8.108 -9.140 1.780 848 HD3 PRO 102 2HD PRO 102 8.690 -8.581 0.201 849 H HIS 103 H HIS 103 3.063 -9.369 -0.007 850 HA HIS 103 HA HIS 103 2.937 -10.627 2.654 851 HB2 HIS 103 1HB HIS 103 1.527 -8.386 1.483 852 HB3 HIS 103 2HB HIS 103 0.393 -9.621 2.014 853 HD1 HIS 103 HD1 HIS 103 2.185 -10.495 4.525 854 HD2 HIS 103 HD2 HIS 103 0.944 -6.645 3.567 855 HE1 HIS 103 HE1 HIS 103 2.239 -9.214 6.685 856 HE2 HIS 103 HE2 HIS 103 1.537 -6.873 6.074 857 H ASP 104 H ASP 104 0.782 -11.870 2.964 858 HA ASP 104 HA ASP 104 0.085 -13.367 0.540 859 HB2 ASP 104 1HB ASP 104 1.809 -14.486 2.235 860 HB3 ASP 104 2HB ASP 104 0.322 -14.902 3.084 861 H LEU 105 H LEU 105 -2.036 -13.956 0.375 862 HA LEU 105 HA LEU 105 -3.773 -13.414 2.690 863 HB2 LEU 105 1HB LEU 105 -3.790 -11.551 1.012 864 HB3 LEU 105 2HB LEU 105 -4.430 -12.681 -0.163 865 HG LEU 105 HG LEU 105 -6.045 -12.711 2.227 866 HD11 LEU 105 1HD1 LEU 105 -6.963 -10.410 1.958 867 HD12 LEU 105 2HD1 LEU 105 -5.572 -10.027 0.944 868 HD13 LEU 105 3HD1 LEU 105 -5.335 -10.468 2.635 869 HD21 LEU 105 3HD2 LEU 105 -7.618 -11.724 0.267 870 HD22 LEU 105 1HD2 LEU 105 -7.245 -13.436 0.466 871 HD23 LEU 105 2HD2 LEU 105 -6.338 -12.464 -0.692 872 H ASN 106 H ASN 106 -3.807 -15.682 3.063 873 HA ASN 106 HA ASN 106 -5.864 -17.035 1.554 874 HB2 ASN 106 1HB ASN 106 -3.342 -17.449 0.621 875 HB3 ASN 106 2HB ASN 106 -3.472 -18.749 1.803 876 HD21 ASN 106 2HD2 ASN 106 -5.767 -17.246 -0.439 877 HD22 ASN 106 1HD2 ASN 106 -6.246 -18.716 -1.205 878 H PHE 107 H PHE 107 -5.669 -16.108 4.218 879 HA PHE 107 HA PHE 107 -6.077 -18.636 5.626 880 HB2 PHE 107 1HB PHE 107 -4.371 -16.379 6.706 881 HB3 PHE 107 2HB PHE 107 -4.840 -17.822 7.598 882 HD1 PHE 107 HD1 PHE 107 -2.840 -16.578 4.756 883 HD2 PHE 107 HD2 PHE 107 -3.680 -19.871 7.321 884 HE1 PHE 107 HE1 PHE 107 -0.856 -17.751 3.894 885 HE2 PHE 107 HE2 PHE 107 -1.695 -21.046 6.465 886 HZ PHE 107 HZ PHE 107 -0.280 -19.987 4.750 887 H LEU 108 H LEU 108 -7.842 -18.634 6.874 888 HA LEU 108 HA LEU 108 -9.688 -16.536 6.799 889 HB2 LEU 108 1HB LEU 108 -10.937 -17.801 8.499 890 HB3 LEU 108 2HB LEU 108 -10.407 -18.812 7.170 891 HG LEU 108 HG LEU 108 -8.602 -18.743 9.509 892 HD11 LEU 108 1HD1 LEU 108 -9.912 -19.874 11.008 893 HD12 LEU 108 2HD1 LEU 108 -11.016 -20.467 9.766 894 HD13 LEU 108 3HD1 LEU 108 -11.102 -18.786 10.294 895 HD21 LEU 108 3HD2 LEU 108 -7.877 -20.315 8.046 896 HD22 LEU 108 1HD2 LEU 108 -9.490 -20.625 7.404 897 HD23 LEU 108 2HD2 LEU 108 -9.007 -21.322 8.951 898 H GLN 109 H GLN 109 -10.022 -14.798 8.025 899 HA GLN 109 HA GLN 109 -9.850 -13.245 9.678 900 HB2 GLN 109 1HB GLN 109 -10.145 -15.277 11.180 901 HB3 GLN 109 2HB GLN 109 -8.395 -15.295 11.348 902 HG2 GLN 109 1HG GLN 109 -8.568 -12.924 12.181 903 HG3 GLN 109 2HG GLN 109 -10.313 -13.165 12.243 904 HE21 GLN 109 2HE2 GLN 109 -7.423 -15.012 13.183 905 HE22 GLN 109 1HE2 GLN 109 -7.977 -15.394 14.774 906 H GLU 110 H GLU 110 -8.371 -12.345 8.041 907 HA GLU 110 HA GLU 110 -5.562 -12.388 8.896 908 HB2 GLU 110 1HB GLU 110 -6.101 -13.070 6.530 909 HB3 GLU 110 2HB GLU 110 -6.638 -11.424 6.247 910 HG2 GLU 110 1HG GLU 110 -4.546 -11.057 5.581 911 HG3 GLU 110 2HG GLU 110 -4.157 -11.009 7.301 912 H SER 111 H SER 111 -4.634 -10.639 9.647 913 HA SER 111 HA SER 111 -5.797 -7.997 9.197 914 HB2 SER 111 1HB SER 111 -6.446 -9.211 11.498 915 HB3 SER 111 2HB SER 111 -4.868 -8.582 11.974 916 HG SER 111 HG SER 111 -7.222 -7.232 11.390 917 H TYR 112 H TYR 112 -3.788 -8.491 7.760 918 HA TYR 112 HA TYR 112 -1.325 -7.819 9.205 919 HB2 TYR 112 1HB TYR 112 -1.925 -9.511 6.902 920 HB3 TYR 112 2HB TYR 112 -0.599 -8.397 6.596 921 HD1 TYR 112 HD1 TYR 112 1.036 -8.251 8.826 922 HD2 TYR 112 HD2 TYR 112 -1.264 -11.599 7.563 923 HE1 TYR 112 HE1 TYR 112 2.568 -9.751 10.027 924 HE2 TYR 112 HE2 TYR 112 0.261 -13.108 8.762 925 HH TYR 112 HH TYR 112 3.271 -12.175 9.874 926 H GLU 113 H GLU 113 -0.696 -5.815 9.143 927 HA GLU 113 HA GLU 113 -1.052 -4.240 6.712 928 HB2 GLU 113 1HB GLU 113 -2.336 -2.604 7.625 929 HB3 GLU 113 2HB GLU 113 -2.892 -3.943 8.609 930 HG2 GLU 113 1HG GLU 113 -1.337 -3.275 10.383 931 HG3 GLU 113 2HG GLU 113 -0.818 -1.906 9.399 932 H VAL 114 H VAL 114 0.560 -2.796 6.301 933 HA VAL 114 HA VAL 114 2.636 -2.454 8.357 934 HB VAL 114 HB VAL 114 3.456 -4.174 6.883 935 HG11 VAL 114 1HG1 VAL 114 3.124 -2.281 4.567 936 HG12 VAL 114 2HG1 VAL 114 1.983 -3.567 4.953 937 HG13 VAL 114 3HG1 VAL 114 3.644 -3.966 4.518 938 HG21 VAL 114 3HG2 VAL 114 5.016 -2.379 7.672 939 HG22 VAL 114 1HG2 VAL 114 4.834 -1.617 6.091 940 HG23 VAL 114 2HG2 VAL 114 5.536 -3.230 6.218 941 H GLU 115 H GLU 115 3.853 -0.550 8.263 942 HA GLU 115 HA GLU 115 2.939 1.509 6.375 943 HB2 GLU 115 1HB GLU 115 3.494 2.173 9.251 944 HB3 GLU 115 2HB GLU 115 2.606 3.108 8.056 945 HG2 GLU 115 1HG GLU 115 0.814 2.341 9.156 946 HG3 GLU 115 2HG GLU 115 1.065 0.900 8.175 947 H HIS 116 H HIS 116 4.441 3.186 5.928 948 HA HIS 116 HA HIS 116 7.168 2.795 6.942 949 HB2 HIS 116 1HB HIS 116 6.236 2.459 4.175 950 HB3 HIS 116 2HB HIS 116 7.641 3.507 4.338 951 HD1 HIS 116 HD1 HIS 116 7.757 0.721 2.957 952 HD2 HIS 116 HD2 HIS 116 8.776 1.453 6.918 953 HE1 HIS 116 HE1 HIS 116 9.320 -1.138 3.604 954 HE2 HIS 116 HE2 HIS 116 9.841 -0.732 6.036 955 H VAL 117 H VAL 117 8.086 4.624 7.579 956 HA VAL 117 HA VAL 117 6.788 7.165 6.919 957 HB VAL 117 HB VAL 117 7.162 6.640 9.303 958 HG11 VAL 117 1HG1 VAL 117 9.677 5.779 8.426 959 HG12 VAL 117 2HG1 VAL 117 9.078 5.831 10.083 960 HG13 VAL 117 3HG1 VAL 117 9.979 7.196 9.429 961 HG21 VAL 117 3HG2 VAL 117 7.029 8.883 9.266 962 HG22 VAL 117 1HG2 VAL 117 8.196 9.033 7.952 963 HG23 VAL 117 2HG2 VAL 117 8.757 8.816 9.609 964 H ILE 118 H ILE 118 7.768 8.784 5.814 965 HA ILE 118 HA ILE 118 10.540 8.336 4.907 966 HB ILE 118 HB ILE 118 8.386 9.738 3.320 967 HG12 ILE 118 1HG1 ILE 118 9.470 6.972 2.787 968 HG13 ILE 118 2HG1 ILE 118 7.998 7.248 3.711 969 HG21 ILE 118 1HG2 ILE 118 10.915 8.610 2.197 970 HG22 ILE 118 2HG2 ILE 118 10.931 10.180 3.001 971 HG23 ILE 118 3HG2 ILE 118 9.903 9.923 1.592 972 HD11 ILE 118 3HD1 ILE 118 7.929 8.684 1.218 973 HD12 ILE 118 1HD1 ILE 118 6.808 7.485 1.864 974 HD13 ILE 118 2HD1 ILE 118 8.231 6.965 0.962 975 H GLN 119 H GLN 119 11.816 9.777 5.917 976 HA GLN 119 HA GLN 119 10.893 12.568 6.067 977 HB2 GLN 119 1HB GLN 119 12.163 12.737 8.240 978 HB3 GLN 119 2HB GLN 119 10.694 11.774 8.296 979 HG2 GLN 119 1HG GLN 119 11.810 9.994 9.000 980 HG3 GLN 119 2HG GLN 119 12.950 10.110 7.662 981 HE21 GLN 119 2HE2 GLN 119 14.593 11.933 7.954 982 HE22 GLN 119 1HE2 GLN 119 15.312 12.057 9.521 983 H ILE 120 H ILE 120 12.174 13.844 4.896 984 HA ILE 120 HA ILE 120 15.063 13.526 5.074 985 HB ILE 120 HB ILE 120 15.364 13.703 2.615 986 HG12 ILE 120 1HG1 ILE 120 13.042 14.558 2.146 987 HG13 ILE 120 2HG1 ILE 120 13.574 13.261 1.084 988 HG21 ILE 120 1HG2 ILE 120 15.045 11.361 2.160 989 HG22 ILE 120 2HG2 ILE 120 13.874 11.231 3.471 990 HG23 ILE 120 3HG2 ILE 120 15.567 11.571 3.831 991 HD11 ILE 120 3HD1 ILE 120 12.315 11.779 2.879 992 HD12 ILE 120 1HD1 ILE 120 11.472 12.547 1.535 993 HD13 ILE 120 2HD1 ILE 120 11.439 13.287 3.134 994 HA PRO 121 HA PRO 121 13.485 17.954 4.712 995 HB2 PRO 121 1HB PRO 121 13.849 18.780 7.246 996 HB3 PRO 121 2HB PRO 121 12.371 17.957 6.735 997 HG2 PRO 121 1HG PRO 121 14.742 16.861 8.194 998 HG3 PRO 121 2HG PRO 121 13.019 16.558 8.472 999 HD2 PRO 121 1HD PRO 121 14.669 14.851 7.104 1000 HD3 PRO 121 2HD PRO 121 12.915 14.951 6.848 1001 H LEU 122 H LEU 122 14.984 19.284 3.896 1002 HA LEU 122 HA LEU 122 17.739 19.114 4.922 1003 HB2 LEU 122 1HB LEU 122 16.597 19.769 2.226 1004 HB3 LEU 122 2HB LEU 122 18.188 20.354 2.666 1005 HG LEU 122 HG LEU 122 18.247 18.271 1.337 1006 HD11 LEU 122 1HD1 LEU 122 19.661 16.964 3.054 1007 HD12 LEU 122 2HD1 LEU 122 19.355 18.341 4.112 1008 HD13 LEU 122 3HD1 LEU 122 20.178 18.578 2.571 1009 HD21 LEU 122 3HD2 LEU 122 17.170 16.839 3.741 1010 HD22 LEU 122 1HD2 LEU 122 17.411 16.229 2.104 1011 HD23 LEU 122 2HD2 LEU 122 16.117 17.380 2.434 1012 H ASN 123 H ASN 123 16.816 20.537 6.688 1013 HA ASN 123 HA ASN 123 16.412 23.316 5.912 1014 HB2 ASN 123 1HB ASN 123 15.318 21.774 7.913 1015 HB3 ASN 123 2HB ASN 123 16.523 22.717 8.785 1016 HD21 ASN 123 2HD2 ASN 123 14.875 23.813 9.897 1017 HD22 ASN 123 1HD2 ASN 123 13.941 25.053 9.137 Start of MODEL 5 1 H1 MET 1 1H MET 1 14.159 26.657 5.128 2 H2 MET 1 2H MET 1 13.327 26.347 3.659 3 H3 MET 1 3H MET 1 13.393 25.145 4.881 4 HA MET 1 HA MET 1 12.057 26.371 6.311 5 HB2 MET 1 1HB MET 1 12.913 28.546 4.557 6 HB3 MET 1 2HB MET 1 11.188 28.597 4.899 7 HG2 MET 1 1HG MET 1 11.798 29.727 6.721 8 HG3 MET 1 2HG MET 1 12.201 28.139 7.371 9 HE1 MET 1 3HE MET 1 15.268 29.205 8.870 10 HE2 MET 1 1HE MET 1 13.542 28.882 9.025 11 HE3 MET 1 2HE MET 1 14.116 30.540 8.847 12 H VAL 2 H VAL 2 11.381 27.174 2.880 13 HA VAL 2 HA VAL 2 8.687 26.226 3.089 14 HB VAL 2 HB VAL 2 8.531 26.636 0.663 15 HG11 VAL 2 1HG1 VAL 2 8.140 28.453 2.246 16 HG12 VAL 2 2HG1 VAL 2 8.846 29.051 0.745 17 HG13 VAL 2 3HG1 VAL 2 9.850 28.881 2.185 18 HG21 VAL 2 3HG2 VAL 2 10.394 27.571 -0.580 19 HG22 VAL 2 1HG2 VAL 2 10.828 25.984 0.053 20 HG23 VAL 2 2HG2 VAL 2 11.436 27.442 0.837 21 H ALA 3 H ALA 3 11.706 24.870 1.864 22 HA ALA 3 HA ALA 3 10.555 22.662 0.510 23 HB1 ALA 3 3HB ALA 3 12.782 23.307 -0.048 24 HB2 ALA 3 1HB ALA 3 12.855 21.689 0.650 25 HB3 ALA 3 2HB ALA 3 13.324 23.090 1.616 26 H THR 4 H THR 4 9.408 21.102 1.408 27 HA THR 4 HA THR 4 10.372 19.815 3.845 28 HB THR 4 HB THR 4 8.763 21.401 4.703 29 HG1 THR 4 HG1 THR 4 7.273 19.019 4.611 30 HG21 THR 4 3HG2 THR 4 6.399 21.351 4.032 31 HG22 THR 4 1HG2 THR 4 6.820 20.267 2.705 32 HG23 THR 4 2HG2 THR 4 7.466 21.907 2.743 33 H VAL 5 H VAL 5 9.504 17.668 4.156 34 HA VAL 5 HA VAL 5 8.019 16.526 1.918 35 HB VAL 5 HB VAL 5 10.620 15.291 2.832 36 HG11 VAL 5 1HG1 VAL 5 9.426 13.518 2.025 37 HG12 VAL 5 2HG1 VAL 5 10.143 14.099 0.524 38 HG13 VAL 5 3HG1 VAL 5 8.476 14.514 0.923 39 HG21 VAL 5 3HG2 VAL 5 11.229 15.905 0.356 40 HG22 VAL 5 1HG2 VAL 5 11.423 17.092 1.646 41 HG23 VAL 5 2HG2 VAL 5 10.015 17.164 0.589 42 H LYS 6 H LYS 6 6.412 15.391 2.747 43 HA LYS 6 HA LYS 6 6.878 13.757 5.135 44 HB2 LYS 6 1HB LYS 6 5.137 16.081 4.952 45 HB3 LYS 6 2HB LYS 6 4.245 14.634 5.402 46 HG2 LYS 6 1HG LYS 6 4.851 15.254 7.477 47 HG3 LYS 6 2HG LYS 6 6.336 14.398 7.063 48 HD2 LYS 6 1HD LYS 6 7.089 16.438 7.914 49 HD3 LYS 6 2HD LYS 6 7.153 16.665 6.165 50 HE2 LYS 6 1HE LYS 6 5.511 18.215 6.173 51 HE3 LYS 6 2HE LYS 6 4.601 17.397 7.442 52 HZ1 LYS 6 3HZ LYS 6 6.664 19.447 7.658 53 HZ2 LYS 6 1HZ LYS 6 6.666 18.249 8.855 54 HZ3 LYS 6 2HZ LYS 6 5.285 19.195 8.603 55 H ARG 7 H ARG 7 6.412 11.721 4.623 56 HA ARG 7 HA ARG 7 4.037 11.174 2.997 57 HB2 ARG 7 1HB ARG 7 6.668 9.791 2.475 58 HB3 ARG 7 2HB ARG 7 5.190 9.685 1.527 59 HG2 ARG 7 1HG ARG 7 5.443 12.081 0.951 60 HG3 ARG 7 2HG ARG 7 6.988 12.085 1.803 61 HD2 ARG 7 1HD ARG 7 7.686 10.200 0.267 62 HD3 ARG 7 2HD ARG 7 6.235 10.549 -0.672 63 HE ARG 7 HE ARG 7 7.479 12.959 -0.463 64 HH11 ARG 7 1HH1 ARG 7 8.477 9.805 -1.608 65 HH12 ARG 7 2HH1 ARG 7 9.605 10.446 -2.753 66 HH21 ARG 7 1HH2 ARG 7 8.971 13.794 -1.966 67 HH22 ARG 7 2HH2 ARG 7 9.886 12.709 -2.958 68 H THR 8 H THR 8 2.923 9.372 3.550 69 HA THR 8 HA THR 8 4.123 7.387 5.304 70 HB THR 8 HB THR 8 3.308 8.877 6.970 71 HG1 THR 8 HG1 THR 8 2.720 6.860 7.561 72 HG21 THR 8 3HG2 THR 8 1.269 9.531 5.079 73 HG22 THR 8 1HG2 THR 8 1.718 10.354 6.574 74 HG23 THR 8 2HG2 THR 8 0.534 9.048 6.607 75 H ILE 9 H ILE 9 3.716 5.561 4.246 76 HA ILE 9 HA ILE 9 1.140 5.256 2.873 77 HB ILE 9 HB ILE 9 3.149 4.981 1.469 78 HG12 ILE 9 1HG1 ILE 9 2.209 2.220 1.423 79 HG13 ILE 9 2HG1 ILE 9 0.889 3.377 1.559 80 HG21 ILE 9 1HG2 ILE 9 4.716 3.243 1.752 81 HG22 ILE 9 2HG2 ILE 9 3.747 2.471 3.008 82 HG23 ILE 9 3HG2 ILE 9 4.549 4.009 3.332 83 HD11 ILE 9 3HD1 ILE 9 2.292 2.607 -0.747 84 HD12 ILE 9 1HD1 ILE 9 2.731 4.284 -0.423 85 HD13 ILE 9 2HD1 ILE 9 1.034 3.833 -0.595 86 H ARG 10 H ARG 10 -0.354 4.095 3.866 87 HA ARG 10 HA ARG 10 0.517 1.928 5.662 88 HB2 ARG 10 1HB ARG 10 -2.039 3.496 5.985 89 HB3 ARG 10 2HB ARG 10 -1.291 2.403 7.140 90 HG2 ARG 10 1HG ARG 10 -0.212 4.095 8.070 91 HG3 ARG 10 2HG ARG 10 0.566 4.475 6.531 92 HD2 ARG 10 1HD ARG 10 -0.535 6.442 6.915 93 HD3 ARG 10 2HD ARG 10 -1.769 5.574 6.006 94 HE ARG 10 HE ARG 10 -3.071 5.504 7.887 95 HH11 ARG 10 1HH1 ARG 10 0.179 6.439 8.799 96 HH12 ARG 10 2HH1 ARG 10 -0.253 6.806 10.435 97 HH21 ARG 10 1HH2 ARG 10 -3.633 5.984 10.049 98 HH22 ARG 10 2HH2 ARG 10 -2.416 6.548 11.145 99 H ILE 11 H ILE 11 -0.058 -0.030 4.963 100 HA ILE 11 HA ILE 11 -2.472 -0.254 3.286 101 HB ILE 11 HB ILE 11 -1.363 -2.332 2.329 102 HG12 ILE 11 1HG1 ILE 11 1.209 -1.031 3.187 103 HG13 ILE 11 2HG1 ILE 11 0.448 -2.290 4.156 104 HG21 ILE 11 1HG2 ILE 11 0.161 0.130 1.596 105 HG22 ILE 11 2HG2 ILE 11 -1.577 0.036 1.311 106 HG23 ILE 11 3HG2 ILE 11 -0.494 -1.133 0.555 107 HD11 ILE 11 3HD1 ILE 11 2.277 -2.955 2.486 108 HD12 ILE 11 1HD1 ILE 11 1.036 -2.727 1.256 109 HD13 ILE 11 2HD1 ILE 11 0.799 -3.916 2.537 110 H LYS 12 H LYS 12 -4.052 -1.495 4.022 111 HA LYS 12 HA LYS 12 -3.450 -3.385 6.201 112 HB2 LYS 12 1HB LYS 12 -5.592 -1.401 5.816 113 HB3 LYS 12 2HB LYS 12 -6.139 -2.968 6.395 114 HG2 LYS 12 1HG LYS 12 -5.742 -1.595 8.289 115 HG3 LYS 12 2HG LYS 12 -4.447 -2.790 8.224 116 HD2 LYS 12 1HD LYS 12 -3.073 -1.034 8.455 117 HD3 LYS 12 2HD LYS 12 -3.405 -0.729 6.752 118 HE2 LYS 12 1HE LYS 12 -3.905 1.322 7.618 119 HE3 LYS 12 2HE LYS 12 -5.485 0.552 7.748 120 HZ1 LYS 12 3HZ LYS 12 -4.944 -0.008 10.062 121 HZ2 LYS 12 1HZ LYS 12 -4.943 1.663 9.795 122 HZ3 LYS 12 2HZ LYS 12 -3.478 0.826 9.923 123 H THR 13 H THR 13 -3.928 -5.474 5.924 124 HA THR 13 HA THR 13 -5.670 -6.230 3.676 125 HB THR 13 HB THR 13 -3.266 -7.853 4.487 126 HG1 THR 13 HG1 THR 13 -3.385 -5.667 2.700 127 HG21 THR 13 3HG2 THR 13 -3.607 -9.104 2.663 128 HG22 THR 13 1HG2 THR 13 -4.163 -7.740 1.694 129 HG23 THR 13 2HG2 THR 13 -5.265 -8.527 2.824 130 H GLN 14 H GLN 14 -7.398 -7.305 4.387 131 HA GLN 14 HA GLN 14 -7.081 -9.140 6.669 132 HB2 GLN 14 1HB GLN 14 -8.385 -6.808 6.947 133 HB3 GLN 14 2HB GLN 14 -9.705 -7.793 6.331 134 HG2 GLN 14 1HG GLN 14 -9.052 -9.461 8.164 135 HG3 GLN 14 2HG GLN 14 -8.137 -8.126 8.859 136 HE21 GLN 14 2HE2 GLN 14 -9.494 -6.019 8.933 137 HE22 GLN 14 1HE2 GLN 14 -11.084 -6.198 9.584 138 H GLN 15 H GLN 15 -8.148 -11.096 6.528 139 HA GLN 15 HA GLN 15 -9.933 -11.531 4.244 140 HB2 GLN 15 1HB GLN 15 -7.770 -12.205 3.427 141 HB3 GLN 15 2HB GLN 15 -7.466 -13.158 4.870 142 HG2 GLN 15 1HG GLN 15 -8.318 -14.932 3.866 143 HG3 GLN 15 2HG GLN 15 -9.872 -14.114 3.741 144 HE21 GLN 15 2HE2 GLN 15 -6.888 -13.157 2.115 145 HE22 GLN 15 1HE2 GLN 15 -7.455 -13.467 0.516 146 H HIS 16 H HIS 16 -11.569 -12.965 4.601 147 HA HIS 16 HA HIS 16 -11.474 -14.597 7.044 148 HB2 HIS 16 1HB HIS 16 -12.676 -12.413 7.462 149 HB3 HIS 16 2HB HIS 16 -13.880 -12.935 6.290 150 HD1 HIS 16 HD1 HIS 16 -14.923 -15.462 6.986 151 HD2 HIS 16 HD2 HIS 16 -13.366 -13.038 9.980 152 HE1 HIS 16 HE1 HIS 16 -15.918 -16.319 9.129 153 HE2 HIS 16 HE2 HIS 16 -15.047 -14.767 10.913 154 H ILE 17 H ILE 17 -11.894 -16.657 6.514 155 HA ILE 17 HA ILE 17 -13.659 -17.152 4.201 156 HB ILE 17 HB ILE 17 -11.673 -19.166 5.215 157 HG12 ILE 17 1HG1 ILE 17 -11.138 -17.087 3.078 158 HG13 ILE 17 2HG1 ILE 17 -10.445 -17.065 4.694 159 HG21 ILE 17 1HG2 ILE 17 -11.850 -19.561 2.571 160 HG22 ILE 17 2HG2 ILE 17 -13.436 -18.847 2.866 161 HG23 ILE 17 3HG2 ILE 17 -12.948 -20.302 3.735 162 HD11 ILE 17 3HD1 ILE 17 -9.661 -19.495 3.965 163 HD12 ILE 17 1HD1 ILE 17 -8.733 -18.043 3.591 164 HD13 ILE 17 2HD1 ILE 17 -9.782 -18.759 2.367 165 H LEU 18 H LEU 18 -15.623 -17.456 5.110 166 HA LEU 18 HA LEU 18 -16.257 -19.897 6.326 167 HB2 LEU 18 1HB LEU 18 -15.244 -18.037 8.165 168 HB3 LEU 18 2HB LEU 18 -16.980 -18.023 8.407 169 HG LEU 18 HG LEU 18 -15.594 -20.661 8.291 170 HD11 LEU 18 1HD1 LEU 18 -14.803 -20.582 10.478 171 HD12 LEU 18 2HD1 LEU 18 -15.711 -19.119 10.857 172 HD13 LEU 18 3HD1 LEU 18 -14.303 -19.034 9.798 173 HD21 LEU 18 3HD2 LEU 18 -17.450 -21.429 9.336 174 HD22 LEU 18 1HD2 LEU 18 -18.169 -19.983 8.626 175 HD23 LEU 18 2HD2 LEU 18 -17.640 -19.970 10.309 176 HA PRO 19 HA PRO 19 -19.735 -17.608 4.310 177 HB2 PRO 19 1HB PRO 19 -20.831 -19.877 3.223 178 HB3 PRO 19 2HB PRO 19 -19.604 -18.890 2.426 179 HG2 PRO 19 1HG PRO 19 -19.292 -21.442 3.942 180 HG3 PRO 19 2HG PRO 19 -18.485 -20.915 2.457 181 HD2 PRO 19 1HD PRO 19 -17.276 -20.829 4.874 182 HD3 PRO 19 2HD PRO 19 -16.937 -19.644 3.597 183 H GLU 20 H GLU 20 -20.134 -20.888 5.704 184 HA GLU 20 HA GLU 20 -21.706 -20.076 7.881 185 HB2 GLU 20 1HB GLU 20 -23.302 -19.619 5.931 186 HB3 GLU 20 2HB GLU 20 -23.389 -21.362 5.731 187 HG2 GLU 20 1HG GLU 20 -25.207 -21.020 7.052 188 HG3 GLU 20 2HG GLU 20 -23.984 -21.300 8.290 189 H VAL 21 H VAL 21 -21.974 -22.787 5.563 190 HA VAL 21 HA VAL 21 -21.084 -24.601 7.709 191 HB VAL 21 HB VAL 21 -23.113 -25.308 5.586 192 HG11 VAL 21 1HG1 VAL 21 -22.334 -27.347 6.189 193 HG12 VAL 21 2HG1 VAL 21 -23.471 -27.121 7.516 194 HG13 VAL 21 3HG1 VAL 21 -21.757 -26.786 7.758 195 HG21 VAL 21 3HG2 VAL 21 -24.850 -25.056 7.162 196 HG22 VAL 21 1HG2 VAL 21 -23.888 -23.584 7.285 197 HG23 VAL 21 2HG2 VAL 21 -23.717 -24.852 8.498 198 HA PRO 22 HA PRO 22 -17.800 -25.547 4.818 199 HB2 PRO 22 1HB PRO 22 -17.723 -28.091 6.357 200 HB3 PRO 22 2HB PRO 22 -16.419 -26.956 5.992 201 HG2 PRO 22 1HG PRO 22 -17.483 -27.068 8.432 202 HG3 PRO 22 2HG PRO 22 -17.008 -25.519 7.712 203 HD2 PRO 22 1HD PRO 22 -19.731 -26.701 8.047 204 HD3 PRO 22 2HD PRO 22 -19.208 -25.009 8.185 205 HA PRO 23 HA PRO 23 -20.548 -27.819 1.988 206 HB2 PRO 23 1HB PRO 23 -18.176 -27.378 0.251 207 HB3 PRO 23 2HB PRO 23 -19.882 -27.063 -0.074 208 HG2 PRO 23 1HG PRO 23 -18.214 -25.061 0.451 209 HG3 PRO 23 2HG PRO 23 -19.869 -25.056 1.091 210 HD2 PRO 23 1HD PRO 23 -17.295 -25.665 2.485 211 HD3 PRO 23 2HD PRO 23 -18.727 -24.803 3.085 212 H VAL 24 H VAL 24 -20.547 -29.864 1.049 213 HA VAL 24 HA VAL 24 -18.572 -31.697 2.110 214 HB VAL 24 HB VAL 24 -20.971 -32.269 2.201 215 HG11 VAL 24 1HG1 VAL 24 -22.074 -33.068 0.106 216 HG12 VAL 24 2HG1 VAL 24 -20.756 -32.331 -0.802 217 HG13 VAL 24 3HG1 VAL 24 -21.817 -31.326 0.183 218 HG21 VAL 24 3HG2 VAL 24 -20.503 -34.536 0.714 219 HG22 VAL 24 1HG2 VAL 24 -20.036 -34.285 2.396 220 HG23 VAL 24 2HG2 VAL 24 -18.878 -33.973 1.105 221 H GLU 25 H GLU 25 -19.556 -30.467 -1.063 222 HA GLU 25 HA GLU 25 -17.060 -31.490 -2.181 223 HB2 GLU 25 1HB GLU 25 -18.202 -32.403 -4.170 224 HB3 GLU 25 2HB GLU 25 -18.650 -33.254 -2.699 225 HG2 GLU 25 1HG GLU 25 -20.623 -31.439 -2.775 226 HG3 GLU 25 2HG GLU 25 -20.279 -31.570 -4.498 227 H ASN 26 H ASN 26 -17.839 -28.820 -1.507 228 HA ASN 26 HA ASN 26 -17.591 -27.600 -4.147 229 HB2 ASN 26 1HB ASN 26 -20.043 -27.655 -3.114 230 HB3 ASN 26 2HB ASN 26 -19.442 -26.252 -2.236 231 HD21 ASN 26 2HD2 ASN 26 -21.333 -25.413 -3.566 232 HD22 ASN 26 1HD2 ASN 26 -20.939 -24.743 -5.108 233 H PHE 27 H PHE 27 -16.704 -25.450 -4.116 234 HA PHE 27 HA PHE 27 -14.847 -25.083 -1.934 235 HB2 PHE 27 1HB PHE 27 -15.267 -23.684 -4.567 236 HB3 PHE 27 2HB PHE 27 -14.148 -23.062 -3.362 237 HD1 PHE 27 HD1 PHE 27 -12.724 -25.264 -2.331 238 HD2 PHE 27 HD2 PHE 27 -14.158 -24.693 -6.299 239 HE1 PHE 27 HE1 PHE 27 -10.974 -26.771 -3.176 240 HE2 PHE 27 HE2 PHE 27 -12.410 -26.201 -7.149 241 HZ PHE 27 HZ PHE 27 -10.816 -27.242 -5.590 242 HA PRO 28 HA PRO 28 -17.583 -22.279 0.216 243 HB2 PRO 28 1HB PRO 28 -15.867 -21.581 2.194 244 HB3 PRO 28 2HB PRO 28 -16.691 -23.144 2.152 245 HG2 PRO 28 1HG PRO 28 -13.898 -22.453 1.330 246 HG3 PRO 28 2HG PRO 28 -14.478 -23.856 2.246 247 HD2 PRO 28 1HD PRO 28 -13.896 -23.963 -0.403 248 HD3 PRO 28 2HD PRO 28 -15.145 -24.974 0.351 249 H VAL 29 H VAL 29 -17.673 -20.008 0.807 250 HA VAL 29 HA VAL 29 -16.173 -18.346 -1.045 251 HB VAL 29 HB VAL 29 -18.340 -17.482 0.877 252 HG11 VAL 29 1HG1 VAL 29 -18.558 -15.827 -1.214 253 HG12 VAL 29 2HG1 VAL 29 -16.829 -16.173 -1.302 254 HG13 VAL 29 3HG1 VAL 29 -17.520 -15.495 0.172 255 HG21 VAL 29 3HG2 VAL 29 -19.794 -17.597 -1.220 256 HG22 VAL 29 1HG2 VAL 29 -19.391 -19.124 -0.436 257 HG23 VAL 29 2HG2 VAL 29 -18.534 -18.630 -1.896 258 H ARG 30 H ARG 30 -14.887 -16.577 -0.468 259 HA ARG 30 HA ARG 30 -14.131 -16.400 2.373 260 HB2 ARG 30 1HB ARG 30 -11.784 -15.794 1.402 261 HB3 ARG 30 2HB ARG 30 -12.258 -17.478 1.553 262 HG2 ARG 30 1HG ARG 30 -13.106 -16.735 -0.993 263 HG3 ARG 30 2HG ARG 30 -11.530 -15.968 -0.794 264 HD2 ARG 30 1HD ARG 30 -10.453 -18.015 -0.436 265 HD3 ARG 30 2HD ARG 30 -11.962 -18.850 -0.079 266 HE ARG 30 HE ARG 30 -12.299 -19.158 -2.330 267 HH11 ARG 30 1HH1 ARG 30 -9.683 -16.875 -1.875 268 HH12 ARG 30 2HH1 ARG 30 -9.206 -16.905 -3.539 269 HH21 ARG 30 1HH2 ARG 30 -11.672 -19.183 -4.527 270 HH22 ARG 30 2HH2 ARG 30 -10.337 -18.208 -5.047 271 H GLN 31 H GLN 31 -12.971 -14.345 2.909 272 HA GLN 31 HA GLN 31 -14.060 -12.109 1.326 273 HB2 GLN 31 1HB GLN 31 -14.824 -12.715 3.855 274 HB3 GLN 31 2HB GLN 31 -13.478 -11.635 4.181 275 HG2 GLN 31 1HG GLN 31 -14.997 -10.416 2.162 276 HG3 GLN 31 2HG GLN 31 -16.142 -11.012 3.362 277 HE21 GLN 31 2HE2 GLN 31 -12.907 -9.522 3.462 278 HE22 GLN 31 1HE2 GLN 31 -13.325 -8.302 4.613 279 H TRP 32 H TRP 32 -12.791 -10.236 1.145 280 HA TRP 32 HA TRP 32 -10.050 -10.330 2.139 281 HB2 TRP 32 1HB TRP 32 -9.216 -9.733 -0.189 282 HB3 TRP 32 2HB TRP 32 -9.718 -11.402 0.053 283 HD1 TRP 32 HD1 TRP 32 -12.467 -11.800 -0.753 284 HE1 TRP 32 HE1 TRP 32 -13.529 -11.011 -2.956 285 HE3 TRP 32 HE3 TRP 32 -9.137 -8.122 -1.985 286 HZ2 TRP 32 HZ2 TRP 32 -13.021 -9.086 -4.958 287 HZ3 TRP 32 HZ3 TRP 32 -9.498 -6.855 -4.063 288 HH2 TRP 32 HH2 TRP 32 -11.399 -7.329 -5.518 289 H SER 33 H SER 33 -9.083 -8.342 2.394 290 HA SER 33 HA SER 33 -10.570 -5.962 1.527 291 HB2 SER 33 1HB SER 33 -9.374 -6.101 4.289 292 HB3 SER 33 2HB SER 33 -10.590 -4.985 3.669 293 HG SER 33 HG SER 33 -10.883 -7.695 4.407 294 H ILE 34 H ILE 34 -9.254 -4.608 0.458 295 HA ILE 34 HA ILE 34 -6.412 -4.508 1.245 296 HB ILE 34 HB ILE 34 -7.320 -4.305 -1.622 297 HG12 ILE 34 1HG1 ILE 34 -7.792 -6.576 -0.764 298 HG13 ILE 34 2HG1 ILE 34 -6.504 -6.579 -1.963 299 HG21 ILE 34 1HG2 ILE 34 -5.038 -3.408 -0.537 300 HG22 ILE 34 2HG2 ILE 34 -5.152 -4.026 -2.182 301 HG23 ILE 34 3HG2 ILE 34 -4.564 -5.069 -0.890 302 HD11 ILE 34 3HD1 ILE 34 -6.451 -7.739 0.550 303 HD12 ILE 34 1HD1 ILE 34 -5.446 -6.297 0.706 304 HD13 ILE 34 2HD1 ILE 34 -5.082 -7.496 -0.535 305 H GLU 35 H GLU 35 -5.906 -2.523 1.912 306 HA GLU 35 HA GLU 35 -6.993 -0.225 0.442 307 HB2 GLU 35 1HB GLU 35 -7.377 1.012 2.506 308 HB3 GLU 35 2HB GLU 35 -8.334 -0.462 2.483 309 HG2 GLU 35 1HG GLU 35 -6.511 -1.514 3.880 310 HG3 GLU 35 2HG GLU 35 -5.848 0.109 4.071 311 H ILE 36 H ILE 36 -5.684 1.633 0.410 312 HA ILE 36 HA ILE 36 -3.084 1.573 1.694 313 HB ILE 36 HB ILE 36 -2.629 0.295 -0.327 314 HG12 ILE 36 1HG1 ILE 36 -1.532 3.106 -0.557 315 HG13 ILE 36 2HG1 ILE 36 -0.914 1.865 0.530 316 HG21 ILE 36 1HG2 ILE 36 -2.965 1.139 -2.544 317 HG22 ILE 36 2HG2 ILE 36 -3.538 2.686 -1.919 318 HG23 ILE 36 3HG2 ILE 36 -4.500 1.229 -1.678 319 HD11 ILE 36 3HD1 ILE 36 -1.030 1.486 -2.440 320 HD12 ILE 36 1HD1 ILE 36 -0.108 0.569 -1.251 321 HD13 ILE 36 2HD1 ILE 36 0.345 2.232 -1.628 322 H VAL 37 H VAL 37 -2.455 3.578 2.239 323 HA VAL 37 HA VAL 37 -3.481 5.869 0.721 324 HB VAL 37 HB VAL 37 -3.793 7.084 2.943 325 HG11 VAL 37 1HG1 VAL 37 -6.040 5.670 3.297 326 HG12 VAL 37 2HG1 VAL 37 -5.558 5.058 1.716 327 HG13 VAL 37 3HG1 VAL 37 -5.804 6.787 1.954 328 HG21 VAL 37 3HG2 VAL 37 -2.708 4.876 4.073 329 HG22 VAL 37 1HG2 VAL 37 -4.426 4.522 4.258 330 HG23 VAL 37 2HG2 VAL 37 -3.755 6.009 4.929 331 H LEU 38 H LEU 38 -1.819 7.081 0.091 332 HA LEU 38 HA LEU 38 0.497 7.351 1.887 333 HB2 LEU 38 1HB LEU 38 1.115 5.810 0.130 334 HB3 LEU 38 2HB LEU 38 0.538 6.916 -1.099 335 HG LEU 38 HG LEU 38 2.331 8.490 -0.554 336 HD11 LEU 38 1HD1 LEU 38 2.531 6.864 1.804 337 HD12 LEU 38 2HD1 LEU 38 3.253 8.434 1.464 338 HD13 LEU 38 3HD1 LEU 38 4.091 6.957 0.989 339 HD21 LEU 38 3HD2 LEU 38 3.941 7.392 -1.743 340 HD22 LEU 38 1HD2 LEU 38 2.567 6.338 -2.064 341 HD23 LEU 38 2HD2 LEU 38 3.751 5.892 -0.835 342 H LEU 39 H LEU 39 1.461 9.346 1.988 343 HA LEU 39 HA LEU 39 0.149 11.521 0.491 344 HB2 LEU 39 1HB LEU 39 -0.196 11.315 3.035 345 HB3 LEU 39 2HB LEU 39 1.466 11.861 3.168 346 HG LEU 39 HG LEU 39 -0.396 13.497 1.519 347 HD11 LEU 39 1HD1 LEU 39 -0.768 14.670 3.894 348 HD12 LEU 39 2HD1 LEU 39 -0.694 12.986 4.409 349 HD13 LEU 39 3HD1 LEU 39 -1.886 13.488 3.211 350 HD21 LEU 39 3HD2 LEU 39 1.083 15.097 3.229 351 HD22 LEU 39 1HD2 LEU 39 1.461 14.735 1.545 352 HD23 LEU 39 2HD2 LEU 39 2.177 13.771 2.836 353 H ASP 40 H ASP 40 1.448 13.302 -0.134 354 HA ASP 40 HA ASP 40 4.191 13.562 0.331 355 HB2 ASP 40 1HB ASP 40 5.120 12.844 -1.817 356 HB3 ASP 40 2HB ASP 40 4.401 11.500 -0.950 357 H ASP 41 H ASP 41 1.441 14.166 -1.749 358 HA ASP 41 HA ASP 41 2.363 16.262 -3.310 359 HB2 ASP 41 1HB ASP 41 -0.061 17.076 -3.234 360 HB3 ASP 41 2HB ASP 41 0.217 15.452 -3.843 361 H GLU 42 H GLU 42 1.583 16.264 0.098 362 HA GLU 42 HA GLU 42 1.399 19.112 0.358 363 HB2 GLU 42 1HB GLU 42 1.118 16.792 2.084 364 HB3 GLU 42 2HB GLU 42 2.054 18.059 2.862 365 HG2 GLU 42 1HG GLU 42 -0.525 18.741 1.528 366 HG3 GLU 42 2HG GLU 42 -0.528 17.991 3.124 367 H GLY 43 H GLY 43 3.939 16.695 0.614 368 HA2 GLY 43 1HA GLY 43 5.830 18.466 1.812 369 HA3 GLY 43 2HA GLY 43 6.177 16.888 1.128 370 H LYS 44 H LYS 44 6.207 16.793 -1.293 371 HA LYS 44 HA LYS 44 7.154 19.329 -2.461 372 HB2 LYS 44 1HB LYS 44 8.645 16.879 -2.034 373 HB3 LYS 44 2HB LYS 44 8.606 17.312 -3.738 374 HG2 LYS 44 1HG LYS 44 9.548 19.462 -3.277 375 HG3 LYS 44 2HG LYS 44 9.425 19.191 -1.538 376 HD2 LYS 44 1HD LYS 44 11.244 17.826 -1.484 377 HD3 LYS 44 2HD LYS 44 10.952 17.192 -3.103 378 HE2 LYS 44 1HE LYS 44 11.541 19.784 -3.657 379 HE3 LYS 44 2HE LYS 44 12.537 19.512 -2.228 380 HZ1 LYS 44 3HZ LYS 44 13.982 18.750 -3.757 381 HZ2 LYS 44 1HZ LYS 44 12.786 18.401 -4.902 382 HZ3 LYS 44 2HZ LYS 44 13.089 17.320 -3.636 383 H GLU 45 H GLU 45 6.068 16.018 -3.224 384 HA GLU 45 HA GLU 45 4.662 15.230 -4.825 385 HB2 GLU 45 1HB GLU 45 3.441 17.453 -4.264 386 HB3 GLU 45 2HB GLU 45 4.101 18.016 -5.794 387 HG2 GLU 45 1HG GLU 45 3.029 16.058 -6.896 388 HG3 GLU 45 2HG GLU 45 2.251 15.686 -5.357 389 H ILE 46 H ILE 46 7.548 16.566 -5.366 390 HA ILE 46 HA ILE 46 7.429 16.015 -8.254 391 HB ILE 46 HB ILE 46 9.471 17.620 -8.370 392 HG12 ILE 46 1HG1 ILE 46 9.079 19.581 -6.753 393 HG13 ILE 46 2HG1 ILE 46 8.166 18.437 -5.775 394 HG21 ILE 46 1HG2 ILE 46 6.914 17.857 -9.101 395 HG22 ILE 46 2HG2 ILE 46 8.101 19.143 -9.321 396 HG23 ILE 46 3HG2 ILE 46 7.002 19.184 -7.943 397 HD11 ILE 46 3HD1 ILE 46 10.016 17.371 -5.064 398 HD12 ILE 46 1HD1 ILE 46 10.768 18.921 -5.441 399 HD13 ILE 46 2HD1 ILE 46 10.867 17.591 -6.593 400 HA PRO 47 HA PRO 47 10.666 13.114 -7.305 401 HB2 PRO 47 1HB PRO 47 11.240 12.304 -9.790 402 HB3 PRO 47 2HB PRO 47 9.672 11.948 -9.054 403 HG2 PRO 47 1HG PRO 47 10.396 14.065 -11.038 404 HG3 PRO 47 2HG PRO 47 8.961 13.029 -10.982 405 HD2 PRO 47 1HD PRO 47 9.061 15.639 -10.074 406 HD3 PRO 47 2HD PRO 47 7.873 14.430 -9.548 407 H ALA 48 H ALA 48 12.928 12.547 -8.558 408 HA ALA 48 HA ALA 48 14.358 14.859 -9.490 409 HB1 ALA 48 3HB ALA 48 15.687 13.836 -7.079 410 HB2 ALA 48 1HB ALA 48 14.193 14.728 -6.787 411 HB3 ALA 48 2HB ALA 48 15.516 15.487 -7.671 412 H THR 49 H THR 49 15.184 11.847 -7.746 413 HA THR 49 HA THR 49 17.071 11.187 -9.884 414 HB THR 49 HB THR 49 16.706 9.778 -7.232 415 HG1 THR 49 HG1 THR 49 17.426 11.669 -6.558 416 HG21 THR 49 3HG2 THR 49 19.349 9.599 -7.968 417 HG22 THR 49 1HG2 THR 49 18.485 9.359 -9.488 418 HG23 THR 49 2HG2 THR 49 18.139 8.323 -8.104 419 H ILE 50 H ILE 50 14.574 9.526 -7.933 420 HA ILE 50 HA ILE 50 13.838 8.027 -10.341 421 HB ILE 50 HB ILE 50 14.115 6.769 -7.605 422 HG12 ILE 50 1HG1 ILE 50 16.290 7.154 -8.696 423 HG13 ILE 50 2HG1 ILE 50 15.912 5.439 -8.596 424 HG21 ILE 50 1HG2 ILE 50 13.354 5.497 -10.233 425 HG22 ILE 50 2HG2 ILE 50 12.225 5.898 -8.940 426 HG23 ILE 50 3HG2 ILE 50 13.482 4.690 -8.669 427 HD11 ILE 50 3HD1 ILE 50 16.612 6.955 -10.868 428 HD12 ILE 50 1HD1 ILE 50 14.943 6.426 -11.079 429 HD13 ILE 50 2HD1 ILE 50 16.212 5.240 -10.775 430 H PHE 51 H PHE 51 12.560 7.644 -7.045 431 HA PHE 51 HA PHE 51 10.510 7.983 -6.148 432 HB2 PHE 51 1HB PHE 51 10.928 10.347 -6.593 433 HB3 PHE 51 2HB PHE 51 10.331 10.162 -8.233 434 HD1 PHE 51 HD2 PHE 51 7.906 9.763 -8.629 435 HD2 PHE 51 HD1 PHE 51 9.447 10.638 -4.758 436 HE1 PHE 51 HE2 PHE 51 5.643 10.335 -7.859 437 HE2 PHE 51 HE1 PHE 51 7.182 11.214 -3.984 438 HZ PHE 51 HZ PHE 51 5.277 11.064 -5.535 439 H ASP 52 H ASP 52 9.401 6.166 -6.520 440 HA ASP 52 HA ASP 52 7.313 6.181 -8.464 441 HB2 ASP 52 1HB ASP 52 9.545 5.329 -9.619 442 HB3 ASP 52 2HB ASP 52 9.118 3.822 -8.815 443 H LYS 53 H LYS 53 5.807 5.718 -6.957 444 HA LYS 53 HA LYS 53 6.277 3.486 -5.120 445 HB2 LYS 53 1HB LYS 53 4.076 5.563 -5.157 446 HB3 LYS 53 2HB LYS 53 4.290 4.327 -3.926 447 HG2 LYS 53 1HG LYS 53 5.294 6.056 -2.864 448 HG3 LYS 53 2HG LYS 53 6.688 5.442 -3.751 449 HD2 LYS 53 1HD LYS 53 6.900 7.573 -4.445 450 HD3 LYS 53 2HD LYS 53 5.613 7.150 -5.575 451 HE2 LYS 53 1HE LYS 53 4.812 9.100 -4.624 452 HE3 LYS 53 2HE LYS 53 4.028 7.858 -3.652 453 HZ1 LYS 53 3HZ LYS 53 6.429 9.440 -2.915 454 HZ2 LYS 53 1HZ LYS 53 5.831 8.145 -2.002 455 HZ3 LYS 53 2HZ LYS 53 4.894 9.538 -2.213 456 H VAL 54 H VAL 54 5.818 1.593 -6.107 457 HA VAL 54 HA VAL 54 3.347 1.406 -7.695 458 HB VAL 54 HB VAL 54 4.289 -0.828 -8.421 459 HG11 VAL 54 1HG1 VAL 54 4.874 0.302 -10.236 460 HG12 VAL 54 2HG1 VAL 54 6.351 0.860 -9.451 461 HG13 VAL 54 3HG1 VAL 54 4.863 1.793 -9.291 462 HG21 VAL 54 3HG2 VAL 54 6.324 -1.572 -7.788 463 HG22 VAL 54 1HG2 VAL 54 6.033 -0.551 -6.380 464 HG23 VAL 54 2HG2 VAL 54 7.014 0.049 -7.717 465 H ILE 55 H ILE 55 1.763 -0.105 -7.273 466 HA ILE 55 HA ILE 55 2.004 -1.573 -4.727 467 HB ILE 55 HB ILE 55 -0.611 -0.467 -5.709 468 HG12 ILE 55 1HG1 ILE 55 0.764 0.943 -3.497 469 HG13 ILE 55 2HG1 ILE 55 1.422 1.217 -5.105 470 HG21 ILE 55 1HG2 ILE 55 -1.291 -0.761 -3.396 471 HG22 ILE 55 2HG2 ILE 55 0.333 -1.300 -2.969 472 HG23 ILE 55 3HG2 ILE 55 -0.662 -2.272 -4.051 473 HD11 ILE 55 3HD1 ILE 55 -1.495 1.435 -4.911 474 HD12 ILE 55 1HD1 ILE 55 -0.326 2.457 -5.747 475 HD13 ILE 55 2HD1 ILE 55 -0.581 2.646 -4.012 476 H TYR 56 H TYR 56 1.024 -3.577 -4.583 477 HA TYR 56 HA TYR 56 -0.327 -4.665 -6.931 478 HB2 TYR 56 1HB TYR 56 2.399 -5.319 -6.149 479 HB3 TYR 56 2HB TYR 56 1.365 -6.743 -6.162 480 HD1 TYR 56 HD1 TYR 56 2.518 -3.898 -8.252 481 HD2 TYR 56 HD2 TYR 56 0.772 -7.780 -8.187 482 HE1 TYR 56 HE1 TYR 56 2.766 -4.044 -10.693 483 HE2 TYR 56 HE2 TYR 56 1.016 -7.935 -10.628 484 HH TYR 56 HH TYR 56 1.429 -5.488 -12.601 485 H HIS 57 H HIS 57 -1.839 -6.187 -6.460 486 HA HIS 57 HA HIS 57 -1.869 -7.667 -4.020 487 HB2 HIS 57 1HB HIS 57 -4.075 -6.696 -3.228 488 HB3 HIS 57 2HB HIS 57 -2.660 -5.679 -2.984 489 HD1 HIS 57 HD1 HIS 57 -2.538 -3.481 -4.319 490 HD2 HIS 57 HD2 HIS 57 -5.951 -5.726 -5.083 491 HE1 HIS 57 HE1 HIS 57 -4.087 -1.945 -5.568 492 HE2 HIS 57 HE2 HIS 57 -6.098 -3.361 -6.120 493 H LEU 58 H LEU 58 -2.781 -9.557 -4.477 494 HA LEU 58 HA LEU 58 -4.078 -11.169 -5.421 495 HB2 LEU 58 1HB LEU 58 -5.761 -8.815 -5.455 496 HB3 LEU 58 2HB LEU 58 -6.081 -9.822 -6.853 497 HG LEU 58 HG LEU 58 -5.983 -11.130 -4.176 498 HD11 LEU 58 1HD1 LEU 58 -7.980 -9.119 -5.037 499 HD12 LEU 58 2HD1 LEU 58 -7.430 -9.555 -3.419 500 HD13 LEU 58 3HD1 LEU 58 -8.582 -10.585 -4.266 501 HD21 LEU 58 3HD2 LEU 58 -8.109 -12.129 -5.504 502 HD22 LEU 58 1HD2 LEU 58 -6.471 -12.762 -5.649 503 HD23 LEU 58 2HD2 LEU 58 -7.091 -11.638 -6.858 504 H HIS 59 H HIS 59 -4.880 -11.965 -7.626 505 HA HIS 59 HA HIS 59 -2.829 -11.659 -9.518 506 HB2 HIS 59 1HB HIS 59 -4.859 -13.451 -9.170 507 HB3 HIS 59 2HB HIS 59 -5.425 -12.567 -10.582 508 HD1 HIS 59 HD1 HIS 59 -2.556 -14.718 -9.420 509 HD2 HIS 59 HD2 HIS 59 -4.111 -13.151 -12.937 510 HE1 HIS 59 HE1 HIS 59 -1.297 -15.856 -11.276 511 HE2 HIS 59 HE2 HIS 59 -2.330 -14.968 -13.395 512 HA PRO 60 HA PRO 60 -3.816 -7.770 -11.454 513 HB2 PRO 60 1HB PRO 60 -2.623 -9.119 -13.826 514 HB3 PRO 60 2HB PRO 60 -2.267 -7.543 -13.119 515 HG2 PRO 60 1HG PRO 60 -0.607 -9.581 -12.745 516 HG3 PRO 60 2HG PRO 60 -0.960 -8.455 -11.419 517 HD2 PRO 60 1HD PRO 60 -1.995 -11.224 -11.886 518 HD3 PRO 60 2HD PRO 60 -1.542 -10.430 -10.362 519 H THR 61 H THR 61 -4.790 -10.874 -12.730 520 HA THR 61 HA THR 61 -6.389 -9.957 -14.875 521 HB THR 61 HB THR 61 -7.482 -12.220 -14.674 522 HG1 THR 61 HG1 THR 61 -7.310 -13.052 -12.758 523 HG21 THR 61 3HG2 THR 61 -5.389 -13.547 -15.095 524 HG22 THR 61 1HG2 THR 61 -4.486 -12.063 -14.792 525 HG23 THR 61 2HG2 THR 61 -5.633 -12.140 -16.131 526 H PHE 62 H PHE 62 -6.812 -9.384 -11.626 527 HA PHE 62 HA PHE 62 -9.687 -8.945 -12.032 528 HB2 PHE 62 1HB PHE 62 -8.483 -10.789 -10.154 529 HB3 PHE 62 2HB PHE 62 -9.402 -9.550 -9.307 530 HD1 PHE 62 HD2 PHE 62 -11.728 -9.022 -10.739 531 HD2 PHE 62 HD1 PHE 62 -9.651 -12.726 -10.445 532 HE1 PHE 62 HE2 PHE 62 -13.815 -10.227 -11.233 533 HE2 PHE 62 HE1 PHE 62 -11.736 -13.937 -10.939 534 HZ PHE 62 HZ PHE 62 -13.822 -12.688 -11.331 535 H ALA 63 H ALA 63 -7.473 -8.483 -9.272 536 HA ALA 63 HA ALA 63 -8.489 -5.940 -8.601 537 HB1 ALA 63 3HB ALA 63 -5.819 -7.152 -7.905 538 HB2 ALA 63 1HB ALA 63 -7.313 -7.321 -6.985 539 HB3 ALA 63 2HB ALA 63 -6.543 -5.742 -7.132 540 H ASN 64 H ASN 64 -5.861 -6.939 -10.707 541 HA ASN 64 HA ASN 64 -4.734 -5.832 -12.336 542 HB2 ASN 64 1HB ASN 64 -7.089 -4.503 -12.309 543 HB3 ASN 64 2HB ASN 64 -5.998 -3.197 -11.857 544 HD21 ASN 64 2HD2 ASN 64 -5.971 -5.922 -14.144 545 HD22 ASN 64 1HD2 ASN 64 -5.452 -4.989 -15.503 546 HA PRO 65 HA PRO 65 -1.312 -4.085 -10.176 547 HB2 PRO 65 1HB PRO 65 -0.732 -2.570 -12.660 548 HB3 PRO 65 2HB PRO 65 0.282 -3.715 -11.777 549 HG2 PRO 65 1HG PRO 65 -0.856 -4.402 -14.088 550 HG3 PRO 65 2HG PRO 65 -0.720 -5.565 -12.755 551 HD2 PRO 65 1HD PRO 65 -3.097 -3.997 -13.672 552 HD3 PRO 65 2HD PRO 65 -3.002 -5.680 -13.116 553 H ASN 66 H ASN 66 -0.849 -2.301 -8.974 554 HA ASN 66 HA ASN 66 -2.409 0.130 -9.551 555 HB2 ASN 66 1HB ASN 66 -1.947 -1.380 -7.059 556 HB3 ASN 66 2HB ASN 66 -1.816 0.369 -6.906 557 HD21 ASN 66 2HD2 ASN 66 -3.929 -2.079 -8.388 558 HD22 ASN 66 1HD2 ASN 66 -5.408 -1.278 -7.991 559 H ARG 67 H ARG 67 -1.453 2.172 -8.993 560 HA ARG 67 HA ARG 67 1.446 2.209 -8.609 561 HB2 ARG 67 1HB ARG 67 0.043 3.581 -10.913 562 HB3 ARG 67 2HB ARG 67 1.734 3.804 -10.482 563 HG2 ARG 67 1HG ARG 67 0.555 1.146 -11.251 564 HG3 ARG 67 2HG ARG 67 1.310 2.255 -12.399 565 HD2 ARG 67 1HD ARG 67 3.126 2.029 -10.292 566 HD3 ARG 67 2HD ARG 67 2.529 0.393 -10.558 567 HE ARG 67 HE ARG 67 3.595 0.354 -12.592 568 HH11 ARG 67 1HH1 ARG 67 3.600 3.638 -11.372 569 HH12 ARG 67 2HH1 ARG 67 4.723 4.209 -12.558 570 HH21 ARG 67 1HH2 ARG 67 5.071 1.117 -14.158 571 HH22 ARG 67 2HH2 ARG 67 5.557 2.780 -14.141 572 H THR 68 H THR 68 2.281 4.245 -7.921 573 HA THR 68 HA THR 68 0.318 6.279 -7.154 574 HB THR 68 HB THR 68 2.282 4.953 -5.283 575 HG1 THR 68 HG1 THR 68 0.478 4.375 -4.170 576 HG21 THR 68 3HG2 THR 68 1.419 7.657 -5.205 577 HG22 THR 68 1HG2 THR 68 2.405 6.771 -4.043 578 HG23 THR 68 2HG2 THR 68 0.650 6.778 -3.885 579 H PHE 69 H PHE 69 0.969 8.142 -7.971 580 HA PHE 69 HA PHE 69 3.851 8.749 -8.019 581 HB2 PHE 69 1HB PHE 69 2.645 8.231 -10.281 582 HB3 PHE 69 2HB PHE 69 1.985 9.851 -10.095 583 HD1 PHE 69 HD1 PHE 69 5.138 7.935 -10.344 584 HD2 PHE 69 HD2 PHE 69 3.264 11.747 -10.622 585 HE1 PHE 69 HE1 PHE 69 7.199 8.874 -11.303 586 HE2 PHE 69 HE2 PHE 69 5.323 12.692 -11.583 587 HZ PHE 69 HZ PHE 69 7.294 11.255 -11.926 588 H THR 70 H THR 70 0.626 10.267 -8.288 589 HA THR 70 HA THR 70 1.655 12.717 -7.100 590 HB THR 70 HB THR 70 -0.850 13.391 -7.407 591 HG1 THR 70 HG1 THR 70 -2.066 11.945 -8.286 592 HG21 THR 70 3HG2 THR 70 -0.116 14.511 -9.161 593 HG22 THR 70 1HG2 THR 70 -0.015 13.034 -10.120 594 HG23 THR 70 2HG2 THR 70 1.352 13.536 -9.126 595 H ASP 71 H ASP 71 -1.274 10.765 -6.494 596 HA ASP 71 HA ASP 71 -0.752 10.153 -3.824 597 HB2 ASP 71 1HB ASP 71 -1.173 12.849 -4.005 598 HB3 ASP 71 2HB ASP 71 -2.790 12.268 -3.649 599 HA PRO 72 HA PRO 72 -4.723 8.472 -5.571 600 HB2 PRO 72 1HB PRO 72 -3.925 6.227 -6.762 601 HB3 PRO 72 2HB PRO 72 -3.742 7.794 -7.558 602 HG2 PRO 72 1HG PRO 72 -1.692 6.076 -6.267 603 HG3 PRO 72 2HG PRO 72 -1.529 7.189 -7.635 604 HD2 PRO 72 1HD PRO 72 -0.853 7.687 -4.918 605 HD3 PRO 72 2HD PRO 72 -0.847 8.849 -6.256 606 HA PRO 73 HA PRO 73 -4.483 5.773 -1.876 607 HB2 PRO 73 1HB PRO 73 -6.777 6.524 -0.738 608 HB3 PRO 73 2HB PRO 73 -5.344 7.555 -0.669 609 HG2 PRO 73 1HG PRO 73 -7.757 7.776 -2.418 610 HG3 PRO 73 2HG PRO 73 -6.822 9.059 -1.631 611 HD2 PRO 73 1HD PRO 73 -6.572 8.287 -4.291 612 HD3 PRO 73 2HD PRO 73 -5.364 9.198 -3.369 613 H PHE 74 H PHE 74 -6.263 4.279 -0.918 614 HA PHE 74 HA PHE 74 -8.399 3.443 -2.593 615 HB2 PHE 74 1HB PHE 74 -6.045 2.527 -3.555 616 HB3 PHE 74 2HB PHE 74 -6.420 1.244 -2.410 617 HD1 PHE 74 HD1 PHE 74 -8.411 3.281 -4.829 618 HD2 PHE 74 HD2 PHE 74 -7.329 -0.590 -3.427 619 HE1 PHE 74 HE1 PHE 74 -9.933 2.266 -6.471 620 HE2 PHE 74 HE2 PHE 74 -8.848 -1.612 -5.068 621 HZ PHE 74 HZ PHE 74 -10.152 -0.185 -6.594 622 H ARG 75 H ARG 75 -9.658 1.745 -1.645 623 HA ARG 75 HA ARG 75 -8.939 0.295 0.631 624 HB2 ARG 75 1HB ARG 75 -10.348 1.522 2.321 625 HB3 ARG 75 2HB ARG 75 -8.840 2.301 1.894 626 HG2 ARG 75 1HG ARG 75 -11.257 3.106 0.381 627 HG3 ARG 75 2HG ARG 75 -11.133 3.624 2.063 628 HD2 ARG 75 1HD ARG 75 -8.623 4.149 1.050 629 HD3 ARG 75 2HD ARG 75 -9.692 4.547 -0.294 630 HE ARG 75 HE ARG 75 -10.466 6.351 0.889 631 HH11 ARG 75 1HH1 ARG 75 -8.691 4.258 3.066 632 HH12 ARG 75 2HH1 ARG 75 -8.691 5.402 4.366 633 HH21 ARG 75 1HH2 ARG 75 -10.464 7.855 2.606 634 HH22 ARG 75 2HH2 ARG 75 -9.698 7.445 4.105 635 H ILE 76 H ILE 76 -10.143 -1.434 0.219 636 HA ILE 76 HA ILE 76 -13.007 -1.227 0.240 637 HB ILE 76 HB ILE 76 -12.188 -0.767 -2.183 638 HG12 ILE 76 1HG1 ILE 76 -14.189 -1.919 -3.076 639 HG13 ILE 76 2HG1 ILE 76 -14.315 -2.830 -1.574 640 HG21 ILE 76 1HG2 ILE 76 -11.552 -2.518 -3.533 641 HG22 ILE 76 2HG2 ILE 76 -12.241 -3.737 -2.462 642 HG23 ILE 76 3HG2 ILE 76 -10.737 -2.927 -2.024 643 HD11 ILE 76 3HD1 ILE 76 -15.393 -0.295 -2.190 644 HD12 ILE 76 1HD1 ILE 76 -14.183 -0.069 -0.926 645 HD13 ILE 76 2HD1 ILE 76 -15.512 -1.204 -0.684 646 H GLU 77 H GLU 77 -14.024 -3.105 0.780 647 HA GLU 77 HA GLU 77 -12.404 -5.547 0.947 648 HB2 GLU 77 1HB GLU 77 -13.349 -6.038 3.169 649 HB3 GLU 77 2HB GLU 77 -12.392 -4.564 3.174 650 HG2 GLU 77 1HG GLU 77 -14.610 -3.331 2.887 651 HG3 GLU 77 2HG GLU 77 -15.372 -4.858 3.322 652 H GLU 78 H GLU 78 -13.353 -6.963 -0.345 653 HA GLU 78 HA GLU 78 -16.298 -7.124 -0.340 654 HB2 GLU 78 1HB GLU 78 -14.325 -7.363 -2.596 655 HB3 GLU 78 2HB GLU 78 -15.921 -8.092 -2.709 656 HG2 GLU 78 1HG GLU 78 -16.038 -5.331 -1.833 657 HG3 GLU 78 2HG GLU 78 -15.239 -5.510 -3.393 658 H GLN 79 H GLN 79 -17.099 -9.296 -1.118 659 HA GLN 79 HA GLN 79 -15.488 -11.425 0.129 660 HB2 GLN 79 1HB GLN 79 -18.467 -11.495 -0.339 661 HB3 GLN 79 2HB GLN 79 -17.514 -12.557 0.685 662 HG2 GLN 79 1HG GLN 79 -18.091 -11.262 2.383 663 HG3 GLN 79 2HG GLN 79 -17.024 -10.033 1.704 664 HE21 GLN 79 2HE2 GLN 79 -18.394 -8.465 2.682 665 HE22 GLN 79 1HE2 GLN 79 -19.883 -8.015 1.930 666 H GLY 80 H GLY 80 -16.267 -13.678 -0.767 667 HA2 GLY 80 1HA GLY 80 -17.000 -14.865 -2.770 668 HA3 GLY 80 2HA GLY 80 -16.400 -13.513 -3.716 669 H TRP 81 H TRP 81 -15.135 -14.991 -4.970 670 HA TRP 81 HA TRP 81 -12.968 -16.356 -3.564 671 HB2 TRP 81 1HB TRP 81 -13.928 -16.433 -6.421 672 HB3 TRP 81 2HB TRP 81 -12.441 -17.220 -5.905 673 HD1 TRP 81 HD1 TRP 81 -13.979 -18.094 -3.016 674 HE1 TRP 81 HE1 TRP 81 -15.442 -20.206 -3.125 675 HE3 TRP 81 HE3 TRP 81 -14.675 -18.342 -8.080 676 HZ2 TRP 81 HZ2 TRP 81 -16.725 -21.771 -5.096 677 HZ3 TRP 81 HZ3 TRP 81 -16.034 -20.181 -8.992 678 HH2 TRP 81 HH2 TRP 81 -17.037 -21.859 -7.529 679 H GLY 82 H GLY 82 -11.259 -15.152 -3.093 680 HA2 GLY 82 1HA GLY 82 -9.804 -13.803 -5.174 681 HA3 GLY 82 2HA GLY 82 -10.540 -12.697 -4.025 682 H GLY 83 H GLY 83 -8.094 -15.132 -4.521 683 HA2 GLY 83 1HA GLY 83 -6.748 -14.193 -2.091 684 HA3 GLY 83 2HA GLY 83 -7.020 -15.917 -2.280 685 H PHE 84 H PHE 84 -4.880 -13.402 -2.821 686 HA PHE 84 HA PHE 84 -3.026 -15.125 -4.191 687 HB2 PHE 84 1HB PHE 84 -4.479 -12.978 -5.652 688 HB3 PHE 84 2HB PHE 84 -2.760 -13.138 -5.976 689 HD1 PHE 84 HD1 PHE 84 -1.979 -15.633 -6.464 690 HD2 PHE 84 HD2 PHE 84 -5.951 -14.177 -6.941 691 HE1 PHE 84 HE1 PHE 84 -2.453 -17.455 -8.045 692 HE2 PHE 84 HE2 PHE 84 -6.432 -16.000 -8.522 693 HZ PHE 84 HZ PHE 84 -4.682 -17.642 -9.075 694 HA PRO 85 HA PRO 85 0.105 -12.664 -2.278 695 HB2 PRO 85 1HB PRO 85 1.428 -12.157 -4.881 696 HB3 PRO 85 2HB PRO 85 2.057 -12.954 -3.435 697 HG2 PRO 85 1HG PRO 85 1.416 -14.364 -5.604 698 HG3 PRO 85 2HG PRO 85 1.086 -14.991 -3.977 699 HD2 PRO 85 1HD PRO 85 -0.790 -13.734 -5.944 700 HD3 PRO 85 2HD PRO 85 -1.041 -15.138 -4.886 701 H LEU 86 H LEU 86 1.025 -10.554 -2.022 702 HA LEU 86 HA LEU 86 0.124 -8.407 -3.755 703 HB2 LEU 86 1HB LEU 86 -0.878 -7.127 -1.897 704 HB3 LEU 86 2HB LEU 86 -1.773 -8.583 -2.283 705 HG LEU 86 HG LEU 86 0.232 -8.705 -0.079 706 HD11 LEU 86 1HD1 LEU 86 -1.403 -6.621 0.023 707 HD12 LEU 86 2HD1 LEU 86 -0.986 -7.561 1.455 708 HD13 LEU 86 3HD1 LEU 86 -2.514 -7.849 0.624 709 HD21 LEU 86 3HD2 LEU 86 -0.934 -10.525 0.594 710 HD22 LEU 86 1HD2 LEU 86 -1.382 -10.559 -1.111 711 HD23 LEU 86 2HD2 LEU 86 -2.484 -9.866 0.079 712 H ASP 87 H ASP 87 1.783 -7.040 -4.002 713 HA ASP 87 HA ASP 87 3.686 -6.716 -1.773 714 HB2 ASP 87 1HB ASP 87 4.648 -8.144 -3.555 715 HB3 ASP 87 2HB ASP 87 4.393 -6.843 -4.713 716 H ILE 88 H ILE 88 4.597 -4.695 -1.473 717 HA ILE 88 HA ILE 88 3.618 -2.523 -3.197 718 HB ILE 88 HB ILE 88 2.261 -2.514 -1.155 719 HG12 ILE 88 1HG1 ILE 88 4.260 -0.251 -1.326 720 HG13 ILE 88 2HG1 ILE 88 2.753 -0.384 -2.228 721 HG21 ILE 88 1HG2 ILE 88 4.000 -3.575 0.302 722 HG22 ILE 88 2HG2 ILE 88 3.167 -2.201 1.025 723 HG23 ILE 88 3HG2 ILE 88 4.797 -2.004 0.385 724 HD11 ILE 88 3HD1 ILE 88 2.090 -0.605 0.497 725 HD12 ILE 88 1HD1 ILE 88 1.740 0.723 -0.610 726 HD13 ILE 88 2HD1 ILE 88 3.222 0.739 0.345 727 H SER 89 H SER 89 5.285 -1.476 -4.068 728 HA SER 89 HA SER 89 7.803 -1.335 -2.544 729 HB2 SER 89 1HB SER 89 8.451 -0.956 -5.240 730 HB3 SER 89 2HB SER 89 8.771 -2.389 -4.269 731 HG SER 89 HG SER 89 7.548 -3.275 -5.757 732 H VAL 90 H VAL 90 8.333 0.625 -1.922 733 HA VAL 90 HA VAL 90 7.244 2.942 -3.374 734 HB VAL 90 HB VAL 90 8.463 3.018 -0.621 735 HG11 VAL 90 1HG1 VAL 90 6.270 4.783 -1.603 736 HG12 VAL 90 2HG1 VAL 90 7.928 5.089 -2.120 737 HG13 VAL 90 3HG1 VAL 90 7.522 5.104 -0.404 738 HG21 VAL 90 3HG2 VAL 90 5.817 1.992 -1.450 739 HG22 VAL 90 1HG2 VAL 90 5.840 3.082 -0.065 740 HG23 VAL 90 2HG2 VAL 90 6.797 1.601 -0.036 741 H PHE 91 H PHE 91 8.569 4.593 -4.085 742 HA PHE 91 HA PHE 91 11.442 4.400 -3.583 743 HB2 PHE 91 1HB PHE 91 10.144 4.302 -6.296 744 HB3 PHE 91 2HB PHE 91 11.784 4.905 -6.091 745 HD1 PHE 91 HD1 PHE 91 13.444 3.343 -4.874 746 HD2 PHE 91 HD2 PHE 91 9.769 2.038 -6.580 747 HE1 PHE 91 HE1 PHE 91 14.301 1.038 -4.947 748 HE2 PHE 91 HE2 PHE 91 10.618 -0.268 -6.655 749 HZ PHE 91 HZ PHE 91 12.886 -0.772 -5.836 750 H LEU 92 H LEU 92 12.614 6.352 -4.124 751 HA LEU 92 HA LEU 92 11.087 8.748 -4.685 752 HB2 LEU 92 1HB LEU 92 12.148 9.849 -2.603 753 HB3 LEU 92 2HB LEU 92 10.722 8.855 -2.395 754 HG LEU 92 HG LEU 92 13.262 7.405 -2.083 755 HD11 LEU 92 1HD1 LEU 92 13.127 8.455 0.401 756 HD12 LEU 92 2HD1 LEU 92 12.712 9.869 -0.568 757 HD13 LEU 92 3HD1 LEU 92 14.230 9.020 -0.851 758 HD21 LEU 92 3HD2 LEU 92 10.520 7.395 -1.066 759 HD22 LEU 92 1HD2 LEU 92 11.740 7.041 0.155 760 HD23 LEU 92 2HD2 LEU 92 11.648 6.062 -1.308 761 H LEU 93 H LEU 93 12.813 10.705 -4.215 762 HA LEU 93 HA LEU 93 14.874 10.271 -6.147 763 HB2 LEU 93 1HB LEU 93 15.583 12.638 -5.325 764 HB3 LEU 93 2HB LEU 93 14.117 12.434 -6.260 765 HG LEU 93 HG LEU 93 13.770 12.313 -3.330 766 HD11 LEU 93 1HD1 LEU 93 14.979 14.641 -4.703 767 HD12 LEU 93 2HD1 LEU 93 15.137 14.097 -3.034 768 HD13 LEU 93 3HD1 LEU 93 13.689 14.962 -3.544 769 HD21 LEU 93 3HD2 LEU 93 11.685 13.019 -3.830 770 HD22 LEU 93 1HD2 LEU 93 12.103 12.434 -5.440 771 HD23 LEU 93 2HD2 LEU 93 12.243 14.151 -5.060 772 H GLU 94 H GLU 94 14.706 9.957 -2.728 773 HA GLU 94 HA GLU 94 17.634 9.723 -2.588 774 HB2 GLU 94 1HB GLU 94 15.903 11.329 -1.045 775 HB3 GLU 94 2HB GLU 94 16.399 10.009 0.004 776 HG2 GLU 94 1HG GLU 94 18.640 11.088 -1.467 777 HG3 GLU 94 2HG GLU 94 17.806 12.333 -0.535 778 H LYS 95 H LYS 95 17.892 8.425 -0.191 779 HA LYS 95 HA LYS 95 16.448 5.890 -0.618 780 HB2 LYS 95 1HB LYS 95 19.340 6.348 0.112 781 HB3 LYS 95 2HB LYS 95 18.546 4.787 0.268 782 HG2 LYS 95 1HG LYS 95 19.510 4.547 -1.780 783 HG3 LYS 95 2HG LYS 95 17.947 5.211 -2.258 784 HD2 LYS 95 1HD LYS 95 19.491 7.454 -1.774 785 HD3 LYS 95 2HD LYS 95 20.618 6.333 -2.541 786 HE2 LYS 95 1HE LYS 95 19.191 6.093 -4.443 787 HE3 LYS 95 2HE LYS 95 17.892 6.982 -3.651 788 HZ1 LYS 95 3HZ LYS 95 18.744 8.658 -4.874 789 HZ2 LYS 95 1HZ LYS 95 20.292 7.980 -4.965 790 HZ3 LYS 95 2HZ LYS 95 19.811 8.805 -3.570 791 H ALA 96 H ALA 96 15.131 7.397 1.009 792 HA ALA 96 HA ALA 96 16.000 6.720 3.746 793 HB1 ALA 96 3HB ALA 96 15.721 9.170 3.104 794 HB2 ALA 96 1HB ALA 96 14.908 8.620 4.571 795 HB3 ALA 96 2HB ALA 96 13.987 8.845 3.085 796 H GLY 97 H GLY 97 13.243 6.718 1.519 797 HA2 GLY 97 1HA GLY 97 11.960 4.731 3.270 798 HA3 GLY 97 2HA GLY 97 11.034 6.106 2.692 799 H GLU 98 H GLU 98 13.398 4.069 0.975 800 HA GLU 98 HA GLU 98 11.256 3.406 -0.934 801 HB2 GLU 98 1HB GLU 98 13.196 3.034 -2.561 802 HB3 GLU 98 2HB GLU 98 12.816 4.694 -2.130 803 HG2 GLU 98 1HG GLU 98 14.733 4.960 -0.889 804 HG3 GLU 98 2HG GLU 98 14.912 3.230 -0.597 805 H ARG 99 H ARG 99 10.567 1.528 0.077 806 HA ARG 99 HA ARG 99 12.348 -0.766 -0.271 807 HB2 ARG 99 1HB ARG 99 11.695 0.342 2.265 808 HB3 ARG 99 2HB ARG 99 10.853 -1.194 2.126 809 HG2 ARG 99 1HG ARG 99 12.729 -2.355 2.406 810 HG3 ARG 99 2HG ARG 99 13.603 -1.377 1.227 811 HD2 ARG 99 1HD ARG 99 14.520 -1.318 3.564 812 HD3 ARG 99 2HD ARG 99 14.153 0.254 2.856 813 HE ARG 99 HE ARG 99 11.987 -0.791 4.413 814 HH11 ARG 99 1HH1 ARG 99 15.034 0.918 4.611 815 HH12 ARG 99 2HH1 ARG 99 14.630 1.726 6.087 816 HH21 ARG 99 1HH2 ARG 99 11.457 0.282 6.367 817 HH22 ARG 99 2HH2 ARG 99 12.604 1.367 7.085 818 H LYS 100 H LYS 100 11.252 -2.821 -0.342 819 HA LYS 100 HA LYS 100 8.424 -2.577 -1.131 820 HB2 LYS 100 1HB LYS 100 8.755 -4.485 -2.598 821 HB3 LYS 100 2HB LYS 100 9.936 -3.237 -2.971 822 HG2 LYS 100 1HG LYS 100 11.450 -4.616 -1.329 823 HG3 LYS 100 2HG LYS 100 10.330 -5.917 -1.735 824 HD2 LYS 100 1HD LYS 100 10.948 -5.929 -3.968 825 HD3 LYS 100 2HD LYS 100 11.567 -4.277 -3.910 826 HE2 LYS 100 1HE LYS 100 12.877 -6.404 -2.269 827 HE3 LYS 100 2HE LYS 100 13.214 -6.311 -3.998 828 HZ1 LYS 100 3HZ LYS 100 13.418 -3.857 -2.397 829 HZ2 LYS 100 1HZ LYS 100 14.284 -4.321 -3.777 830 HZ3 LYS 100 2HZ LYS 100 14.658 -5.003 -2.276 831 H ILE 101 H ILE 101 6.913 -3.986 -0.266 832 HA ILE 101 HA ILE 101 7.902 -5.998 1.644 833 HB ILE 101 HB ILE 101 5.522 -4.256 2.256 834 HG12 ILE 101 1HG1 ILE 101 7.536 -3.581 4.050 835 HG13 ILE 101 2HG1 ILE 101 8.368 -3.657 2.501 836 HG21 ILE 101 1HG2 ILE 101 7.183 -5.808 4.208 837 HG22 ILE 101 2HG2 ILE 101 5.891 -6.587 3.292 838 HG23 ILE 101 3HG2 ILE 101 5.524 -5.237 4.365 839 HD11 ILE 101 3HD1 ILE 101 6.871 -2.037 1.561 840 HD12 ILE 101 1HD1 ILE 101 7.532 -1.409 3.070 841 HD13 ILE 101 2HD1 ILE 101 5.886 -2.041 3.022 842 HA PRO 102 HA PRO 102 4.810 -8.229 -0.768 843 HB2 PRO 102 1HB PRO 102 5.968 -10.627 -0.630 844 HB3 PRO 102 2HB PRO 102 6.641 -9.341 -1.638 845 HG2 PRO 102 1HG PRO 102 7.553 -10.342 1.016 846 HG3 PRO 102 2HG PRO 102 8.510 -9.761 -0.356 847 HD2 PRO 102 1HD PRO 102 7.821 -8.284 1.928 848 HD3 PRO 102 2HD PRO 102 8.462 -7.627 0.408 849 H HIS 103 H HIS 103 3.088 -9.520 -0.267 850 HA HIS 103 HA HIS 103 2.972 -10.975 2.253 851 HB2 HIS 103 1HB HIS 103 0.715 -9.080 1.651 852 HB3 HIS 103 2HB HIS 103 1.107 -9.877 3.167 853 HD1 HIS 103 HD1 HIS 103 2.631 -8.652 4.764 854 HD2 HIS 103 HD2 HIS 103 2.324 -6.794 1.061 855 HE1 HIS 103 HE1 HIS 103 3.706 -6.401 5.054 856 HE2 HIS 103 HE2 HIS 103 3.655 -5.365 2.752 857 H ASP 104 H ASP 104 0.716 -12.104 2.407 858 HA ASP 104 HA ASP 104 -0.277 -12.806 -0.268 859 HB2 ASP 104 1HB ASP 104 1.434 -14.479 0.764 860 HB3 ASP 104 2HB ASP 104 0.098 -14.944 1.811 861 H LEU 105 H LEU 105 -2.461 -12.842 -0.403 862 HA LEU 105 HA LEU 105 -3.947 -12.870 2.133 863 HB2 LEU 105 1HB LEU 105 -5.600 -11.430 1.205 864 HB3 LEU 105 2HB LEU 105 -4.030 -10.710 0.926 865 HG LEU 105 HG LEU 105 -4.557 -12.159 -1.405 866 HD11 LEU 105 1HD1 LEU 105 -6.815 -12.474 -1.186 867 HD12 LEU 105 2HD1 LEU 105 -6.789 -10.889 -1.955 868 HD13 LEU 105 3HD1 LEU 105 -7.036 -11.019 -0.214 869 HD21 LEU 105 3HD2 LEU 105 -5.150 -9.651 -2.131 870 HD22 LEU 105 1HD2 LEU 105 -3.503 -10.192 -1.807 871 HD23 LEU 105 2HD2 LEU 105 -4.408 -9.328 -0.565 872 H ASN 106 H ASN 106 -4.576 -14.912 2.407 873 HA ASN 106 HA ASN 106 -6.726 -15.957 0.945 874 HB2 ASN 106 1HB ASN 106 -4.900 -16.311 -0.762 875 HB3 ASN 106 2HB ASN 106 -4.145 -17.429 0.367 876 HD21 ASN 106 2HD2 ASN 106 -7.528 -16.905 -0.614 877 HD22 ASN 106 1HD2 ASN 106 -7.807 -18.538 -1.107 878 H PHE 107 H PHE 107 -6.244 -15.605 3.648 879 HA PHE 107 HA PHE 107 -6.392 -18.373 4.589 880 HB2 PHE 107 1HB PHE 107 -4.626 -16.253 5.830 881 HB3 PHE 107 2HB PHE 107 -4.983 -17.812 6.568 882 HD1 PHE 107 HD2 PHE 107 -3.168 -16.087 3.908 883 HD2 PHE 107 HD1 PHE 107 -4.008 -19.851 5.708 884 HE1 PHE 107 HE2 PHE 107 -1.281 -17.084 2.688 885 HE2 PHE 107 HE1 PHE 107 -2.120 -20.855 4.490 886 HZ PHE 107 HZ PHE 107 -0.755 -19.474 2.978 887 H LEU 108 H LEU 108 -7.895 -18.730 6.129 888 HA LEU 108 HA LEU 108 -9.889 -16.818 6.633 889 HB2 LEU 108 1HB LEU 108 -10.712 -18.455 8.342 890 HB3 LEU 108 2HB LEU 108 -10.492 -19.114 6.734 891 HG LEU 108 HG LEU 108 -8.118 -19.466 8.378 892 HD11 LEU 108 1HD1 LEU 108 -10.764 -20.301 9.454 893 HD12 LEU 108 2HD1 LEU 108 -9.324 -19.738 10.303 894 HD13 LEU 108 3HD1 LEU 108 -9.379 -21.377 9.655 895 HD21 LEU 108 3HD2 LEU 108 -8.836 -20.592 6.187 896 HD22 LEU 108 1HD2 LEU 108 -9.868 -21.599 7.201 897 HD23 LEU 108 2HD2 LEU 108 -8.121 -21.604 7.443 898 H GLN 109 H GLN 109 -10.090 -15.271 8.115 899 HA GLN 109 HA GLN 109 -9.689 -13.893 9.870 900 HB2 GLN 109 1HB GLN 109 -8.324 -16.239 11.204 901 HB3 GLN 109 2HB GLN 109 -9.001 -14.818 11.985 902 HG2 GLN 109 1HG GLN 109 -11.186 -15.528 11.685 903 HG3 GLN 109 2HG GLN 109 -10.754 -16.628 10.377 904 HE21 GLN 109 2HE2 GLN 109 -9.977 -16.110 13.809 905 HE22 GLN 109 1HE2 GLN 109 -10.040 -17.780 14.247 906 H GLU 110 H GLU 110 -8.169 -13.107 8.087 907 HA GLU 110 HA GLU 110 -5.361 -13.269 8.914 908 HB2 GLU 110 1HB GLU 110 -5.939 -13.844 6.545 909 HB3 GLU 110 2HB GLU 110 -6.476 -12.188 6.328 910 HG2 GLU 110 1HG GLU 110 -4.416 -11.628 5.768 911 HG3 GLU 110 2HG GLU 110 -3.895 -12.013 7.407 912 H SER 111 H SER 111 -4.342 -11.570 9.697 913 HA SER 111 HA SER 111 -5.548 -8.909 9.435 914 HB2 SER 111 1HB SER 111 -5.044 -8.450 11.806 915 HB3 SER 111 2HB SER 111 -6.177 -9.794 11.633 916 HG SER 111 HG SER 111 -4.613 -10.374 13.116 917 H TYR 112 H TYR 112 -3.831 -9.123 7.705 918 HA TYR 112 HA TYR 112 -1.146 -8.573 8.756 919 HB2 TYR 112 1HB TYR 112 -2.181 -9.846 6.304 920 HB3 TYR 112 2HB TYR 112 -0.797 -8.784 6.072 921 HD1 TYR 112 HD2 TYR 112 -1.702 -11.188 8.797 922 HD2 TYR 112 HD1 TYR 112 1.094 -10.053 5.798 923 HE1 TYR 112 HE2 TYR 112 -0.196 -12.987 9.527 924 HE2 TYR 112 HE1 TYR 112 2.607 -11.849 6.518 925 HH TYR 112 HH TYR 112 1.677 -14.379 8.424 926 H GLU 113 H GLU 113 -0.529 -6.546 8.848 927 HA GLU 113 HA GLU 113 -1.256 -4.695 6.727 928 HB2 GLU 113 1HB GLU 113 -2.491 -3.235 7.967 929 HB3 GLU 113 2HB GLU 113 -2.920 -4.726 8.785 930 HG2 GLU 113 1HG GLU 113 -2.348 -3.720 10.672 931 HG3 GLU 113 2HG GLU 113 -0.674 -3.873 10.148 932 H VAL 114 H VAL 114 0.193 -3.025 6.422 933 HA VAL 114 HA VAL 114 2.412 -2.762 8.312 934 HB VAL 114 HB VAL 114 3.302 -4.356 6.782 935 HG11 VAL 114 1HG1 VAL 114 3.242 -4.190 4.419 936 HG12 VAL 114 2HG1 VAL 114 2.614 -2.545 4.484 937 HG13 VAL 114 3HG1 VAL 114 1.602 -3.898 4.991 938 HG21 VAL 114 3HG2 VAL 114 5.233 -3.269 6.001 939 HG22 VAL 114 1HG2 VAL 114 4.705 -2.326 7.396 940 HG23 VAL 114 2HG2 VAL 114 4.379 -1.745 5.763 941 H GLU 115 H GLU 115 3.374 -0.773 8.381 942 HA GLU 115 HA GLU 115 2.335 1.298 6.563 943 HB2 GLU 115 1HB GLU 115 2.897 1.771 9.488 944 HB3 GLU 115 2HB GLU 115 2.072 2.839 8.361 945 HG2 GLU 115 1HG GLU 115 0.151 1.477 8.320 946 HG3 GLU 115 2HG GLU 115 0.990 0.142 9.106 947 H HIS 116 H HIS 116 3.742 2.956 6.002 948 HA HIS 116 HA HIS 116 6.515 2.735 6.952 949 HB2 HIS 116 1HB HIS 116 5.521 2.240 4.275 950 HB3 HIS 116 2HB HIS 116 6.691 3.555 4.281 951 HD1 HIS 116 HD1 HIS 116 8.089 1.719 2.850 952 HD2 HIS 116 HD2 HIS 116 7.605 0.955 6.905 953 HE1 HIS 116 HE1 HIS 116 9.824 -0.004 3.419 954 HE2 HIS 116 HE2 HIS 116 9.372 -0.593 5.828 955 H VAL 117 H VAL 117 7.431 4.616 7.493 956 HA VAL 117 HA VAL 117 6.013 7.095 6.763 957 HB VAL 117 HB VAL 117 7.149 8.087 8.782 958 HG11 VAL 117 1HG1 VAL 117 5.568 7.036 10.392 959 HG12 VAL 117 2HG1 VAL 117 5.185 5.834 9.162 960 HG13 VAL 117 3HG1 VAL 117 4.820 7.534 8.876 961 HG21 VAL 117 3HG2 VAL 117 8.403 6.878 10.227 962 HG22 VAL 117 1HG2 VAL 117 8.704 5.893 8.797 963 HG23 VAL 117 2HG2 VAL 117 7.478 5.399 9.965 964 H ILE 118 H ILE 118 7.117 8.796 5.908 965 HA ILE 118 HA ILE 118 10.024 8.599 5.591 966 HB ILE 118 HB ILE 118 8.278 9.343 3.253 967 HG12 ILE 118 1HG1 ILE 118 9.482 6.619 3.801 968 HG13 ILE 118 2HG1 ILE 118 7.771 7.007 3.935 969 HG21 ILE 118 1HG2 ILE 118 10.299 10.059 2.590 970 HG22 ILE 118 2HG2 ILE 118 10.586 8.355 2.243 971 HG23 ILE 118 3HG2 ILE 118 11.156 9.054 3.758 972 HD11 ILE 118 3HD1 ILE 118 7.737 7.556 1.538 973 HD12 ILE 118 1HD1 ILE 118 8.202 5.885 1.853 974 HD13 ILE 118 2HD1 ILE 118 9.432 7.075 1.428 975 H GLN 119 H GLN 119 10.768 10.413 6.514 976 HA GLN 119 HA GLN 119 9.450 12.964 5.844 977 HB2 GLN 119 1HB GLN 119 10.326 11.941 8.529 978 HB3 GLN 119 2HB GLN 119 10.256 13.668 8.213 979 HG2 GLN 119 1HG GLN 119 7.931 13.621 7.887 980 HG3 GLN 119 2HG GLN 119 7.907 11.865 7.742 981 HE21 GLN 119 2HE2 GLN 119 6.577 11.336 9.387 982 HE22 GLN 119 1HE2 GLN 119 6.882 11.702 11.047 983 H ILE 120 H ILE 120 10.859 13.963 4.528 984 HA ILE 120 HA ILE 120 13.610 14.327 5.492 985 HB ILE 120 HB ILE 120 12.998 13.736 2.592 986 HG12 ILE 120 1HG1 ILE 120 14.492 11.631 3.353 987 HG13 ILE 120 2HG1 ILE 120 13.641 11.932 4.865 988 HG21 ILE 120 1HG2 ILE 120 14.969 14.820 2.424 989 HG22 ILE 120 2HG2 ILE 120 15.626 13.255 2.898 990 HG23 ILE 120 3HG2 ILE 120 15.405 14.520 4.108 991 HD11 ILE 120 3HD1 ILE 120 12.664 10.293 3.101 992 HD12 ILE 120 1HD1 ILE 120 12.093 11.771 2.327 993 HD13 ILE 120 2HD1 ILE 120 11.599 11.391 3.977 994 HA PRO 121 HA PRO 121 11.458 18.243 3.935 995 HB2 PRO 121 1HB PRO 121 11.519 19.615 6.287 996 HB3 PRO 121 2HB PRO 121 10.169 18.583 5.802 997 HG2 PRO 121 1HG PRO 121 12.413 18.009 7.687 998 HG3 PRO 121 2HG PRO 121 10.699 17.574 7.813 999 HD2 PRO 121 1HD PRO 121 12.631 15.823 7.025 1000 HD3 PRO 121 2HD PRO 121 10.943 15.719 6.487 1001 H LEU 122 H LEU 122 14.056 18.027 6.377 1002 HA LEU 122 HA LEU 122 15.871 19.461 4.640 1003 HB2 LEU 122 1HB LEU 122 14.375 20.917 6.492 1004 HB3 LEU 122 2HB LEU 122 15.934 20.705 7.265 1005 HG LEU 122 HG LEU 122 15.987 21.614 4.444 1006 HD11 LEU 122 1HD1 LEU 122 14.084 22.842 5.678 1007 HD12 LEU 122 2HD1 LEU 122 15.291 23.795 4.817 1008 HD13 LEU 122 3HD1 LEU 122 15.382 23.635 6.571 1009 HD21 LEU 122 3HD2 LEU 122 17.439 22.677 6.857 1010 HD22 LEU 122 1HD2 LEU 122 17.886 22.826 5.157 1011 HD23 LEU 122 2HD2 LEU 122 17.982 21.259 5.960 1012 H ASN 123 H ASN 123 15.879 16.829 5.568 1013 HA ASN 123 HA ASN 123 17.968 16.783 7.633 1014 HB2 ASN 123 1HB ASN 123 15.661 15.256 7.335 1015 HB3 ASN 123 2HB ASN 123 16.948 14.181 6.799 1016 HD21 ASN 123 2HD2 ASN 123 16.882 12.806 8.542 1017 HD22 ASN 123 1HD2 ASN 123 17.328 13.284 10.141 Start of MODEL 6 1 H1 MET 1 1H MET 1 6.485 29.188 1.233 2 H2 MET 1 2H MET 1 5.410 28.788 -0.043 3 H3 MET 1 3H MET 1 7.109 28.698 -0.285 4 HA MET 1 HA MET 1 5.659 27.089 1.703 5 HB2 MET 1 1HB MET 1 6.038 26.749 -1.226 6 HB3 MET 1 2HB MET 1 6.285 25.321 -0.228 7 HG2 MET 1 1HG MET 1 3.878 26.688 0.545 8 HG3 MET 1 2HG MET 1 3.870 26.339 -1.182 9 HE1 MET 1 3HE MET 1 3.126 23.484 2.216 10 HE2 MET 1 1HE MET 1 2.583 25.143 1.969 11 HE3 MET 1 2HE MET 1 4.257 24.820 2.420 12 H VAL 2 H VAL 2 6.948 25.118 2.208 13 HA VAL 2 HA VAL 2 9.785 25.834 2.427 14 HB VAL 2 HB VAL 2 8.321 23.654 3.922 15 HG11 VAL 2 1HG1 VAL 2 10.202 23.750 5.456 16 HG12 VAL 2 2HG1 VAL 2 10.938 25.037 4.501 17 HG13 VAL 2 3HG1 VAL 2 10.763 23.422 3.816 18 HG21 VAL 2 3HG2 VAL 2 8.446 26.570 4.395 19 HG22 VAL 2 1HG2 VAL 2 8.697 25.534 5.801 20 HG23 VAL 2 2HG2 VAL 2 7.215 25.395 4.856 21 H ALA 3 H ALA 3 11.431 24.386 1.869 22 HA ALA 3 HA ALA 3 10.719 22.490 -0.214 23 HB1 ALA 3 3HB ALA 3 13.254 22.261 -0.383 24 HB2 ALA 3 1HB ALA 3 13.336 23.584 0.778 25 HB3 ALA 3 2HB ALA 3 12.562 23.832 -0.785 26 H THR 4 H THR 4 9.596 21.354 1.778 27 HA THR 4 HA THR 4 11.405 19.198 2.622 28 HB THR 4 HB THR 4 11.168 20.476 4.610 29 HG1 THR 4 HG1 THR 4 10.374 18.959 5.881 30 HG21 THR 4 3HG2 THR 4 9.170 21.346 5.512 31 HG22 THR 4 1HG2 THR 4 8.182 20.501 4.320 32 HG23 THR 4 2HG2 THR 4 9.217 21.837 3.819 33 H VAL 5 H VAL 5 10.414 17.144 2.887 34 HA VAL 5 HA VAL 5 7.660 16.938 1.902 35 HB VAL 5 HB VAL 5 9.133 16.520 -0.008 36 HG11 VAL 5 1HG1 VAL 5 10.153 13.974 1.079 37 HG12 VAL 5 2HG1 VAL 5 10.895 15.446 1.705 38 HG13 VAL 5 3HG1 VAL 5 10.906 15.123 -0.028 39 HG21 VAL 5 3HG2 VAL 5 6.965 15.314 0.293 40 HG22 VAL 5 1HG2 VAL 5 7.882 13.945 0.919 41 HG23 VAL 5 2HG2 VAL 5 8.129 14.487 -0.741 42 H LYS 6 H LYS 6 6.465 15.865 3.292 43 HA LYS 6 HA LYS 6 7.695 13.702 4.870 44 HB2 LYS 6 1HB LYS 6 5.498 15.556 5.808 45 HB3 LYS 6 2HB LYS 6 6.300 14.310 6.755 46 HG2 LYS 6 1HG LYS 6 8.409 15.557 6.581 47 HG3 LYS 6 2HG LYS 6 7.573 16.819 5.675 48 HD2 LYS 6 1HD LYS 6 6.024 17.047 7.657 49 HD3 LYS 6 2HD LYS 6 7.135 15.998 8.540 50 HE2 LYS 6 1HE LYS 6 8.439 18.225 7.157 51 HE3 LYS 6 2HE LYS 6 7.298 18.728 8.403 52 HZ1 LYS 6 3HZ LYS 6 8.615 17.962 10.033 53 HZ2 LYS 6 1HZ LYS 6 9.845 18.077 8.879 54 HZ3 LYS 6 2HZ LYS 6 9.101 16.588 9.172 55 H ARG 7 H ARG 7 6.950 11.888 3.932 56 HA ARG 7 HA ARG 7 4.057 11.696 3.387 57 HB2 ARG 7 1HB ARG 7 6.179 10.026 2.046 58 HB3 ARG 7 2HB ARG 7 4.496 10.217 1.577 59 HG2 ARG 7 1HG ARG 7 4.939 12.013 0.343 60 HG3 ARG 7 2HG ARG 7 5.944 12.740 1.600 61 HD2 ARG 7 1HD ARG 7 7.866 11.696 0.846 62 HD3 ARG 7 2HD ARG 7 6.969 10.419 0.022 63 HE ARG 7 HE ARG 7 6.371 12.867 -1.202 64 HH11 ARG 7 1HH1 ARG 7 9.045 10.635 -0.855 65 HH12 ARG 7 2HH1 ARG 7 9.782 11.096 -2.353 66 HH21 ARG 7 1HH2 ARG 7 7.338 13.470 -3.165 67 HH22 ARG 7 2HH2 ARG 7 8.811 12.709 -3.667 68 H THR 8 H THR 8 3.281 9.360 3.390 69 HA THR 8 HA THR 8 4.649 7.486 5.068 70 HB THR 8 HB THR 8 3.787 9.015 6.786 71 HG1 THR 8 HG1 THR 8 2.408 6.536 6.683 72 HG21 THR 8 3HG2 THR 8 0.988 8.330 6.555 73 HG22 THR 8 1HG2 THR 8 1.554 9.300 5.195 74 HG23 THR 8 2HG2 THR 8 1.755 9.892 6.844 75 H ILE 9 H ILE 9 4.113 5.518 4.367 76 HA ILE 9 HA ILE 9 1.621 5.223 2.846 77 HB ILE 9 HB ILE 9 3.631 4.701 1.570 78 HG12 ILE 9 1HG1 ILE 9 2.031 2.228 2.261 79 HG13 ILE 9 2HG1 ILE 9 1.550 3.468 1.109 80 HG21 ILE 9 1HG2 ILE 9 4.341 2.227 2.898 81 HG22 ILE 9 2HG2 ILE 9 4.595 3.631 3.931 82 HG23 ILE 9 3HG2 ILE 9 5.369 3.549 2.349 83 HD11 ILE 9 3HD1 ILE 9 3.395 1.232 0.809 84 HD12 ILE 9 1HD1 ILE 9 4.001 2.758 0.169 85 HD13 ILE 9 2HD1 ILE 9 2.463 2.111 -0.403 86 H ARG 10 H ARG 10 0.007 4.241 3.812 87 HA ARG 10 HA ARG 10 0.608 2.212 5.859 88 HB2 ARG 10 1HB ARG 10 -1.866 3.945 5.738 89 HB3 ARG 10 2HB ARG 10 -1.397 2.852 7.033 90 HG2 ARG 10 1HG ARG 10 0.153 4.294 7.885 91 HG3 ARG 10 2HG ARG 10 0.462 5.060 6.327 92 HD2 ARG 10 1HD ARG 10 -0.871 6.722 6.945 93 HD3 ARG 10 2HD ARG 10 -2.224 5.591 6.912 94 HE ARG 10 HE ARG 10 -1.114 5.191 9.357 95 HH11 ARG 10 1HH1 ARG 10 -2.276 8.032 7.668 96 HH12 ARG 10 2HH1 ARG 10 -2.726 8.863 9.119 97 HH21 ARG 10 1HH2 ARG 10 -1.712 6.288 11.265 98 HH22 ARG 10 2HH2 ARG 10 -2.406 7.872 11.161 99 H ILE 11 H ILE 11 0.099 0.226 5.203 100 HA ILE 11 HA ILE 11 -2.187 -0.102 3.373 101 HB ILE 11 HB ILE 11 -0.978 -2.153 2.504 102 HG12 ILE 11 1HG1 ILE 11 1.532 -0.834 3.505 103 HG13 ILE 11 2HG1 ILE 11 0.697 -2.024 4.494 104 HG21 ILE 11 1HG2 ILE 11 -0.023 -0.954 0.783 105 HG22 ILE 11 2HG2 ILE 11 0.606 0.295 1.857 106 HG23 ILE 11 3HG2 ILE 11 -1.116 0.240 1.481 107 HD11 ILE 11 3HD1 ILE 11 0.893 -3.622 2.589 108 HD12 ILE 11 1HD1 ILE 11 2.425 -3.137 3.315 109 HD13 ILE 11 2HD1 ILE 11 1.913 -2.433 1.781 110 H LYS 12 H LYS 12 -3.750 -1.435 4.004 111 HA LYS 12 HA LYS 12 -3.205 -3.283 6.238 112 HB2 LYS 12 1HB LYS 12 -5.561 -1.510 5.675 113 HB3 LYS 12 2HB LYS 12 -5.756 -2.965 6.642 114 HG2 LYS 12 1HG LYS 12 -5.407 -1.346 8.239 115 HG3 LYS 12 2HG LYS 12 -3.789 -2.020 8.031 116 HD2 LYS 12 1HD LYS 12 -3.474 -0.137 6.293 117 HD3 LYS 12 2HD LYS 12 -4.889 0.596 7.053 118 HE2 LYS 12 1HE LYS 12 -2.446 -0.265 8.590 119 HE3 LYS 12 2HE LYS 12 -2.647 1.357 7.927 120 HZ1 LYS 12 3HZ LYS 12 -3.360 0.808 10.364 121 HZ2 LYS 12 1HZ LYS 12 -4.781 0.264 9.620 122 HZ3 LYS 12 2HZ LYS 12 -4.280 1.867 9.418 123 H THR 13 H THR 13 -4.012 -5.359 6.116 124 HA THR 13 HA THR 13 -5.579 -6.087 3.744 125 HB THR 13 HB THR 13 -3.210 -7.725 4.644 126 HG1 THR 13 HG1 THR 13 -2.311 -5.852 3.903 127 HG21 THR 13 3HG2 THR 13 -5.253 -8.392 2.959 128 HG22 THR 13 1HG2 THR 13 -3.649 -9.124 2.977 129 HG23 THR 13 2HG2 THR 13 -4.009 -7.816 1.849 130 H GLN 14 H GLN 14 -7.399 -6.919 4.537 131 HA GLN 14 HA GLN 14 -7.198 -8.862 6.741 132 HB2 GLN 14 1HB GLN 14 -9.164 -6.631 6.335 133 HB3 GLN 14 2HB GLN 14 -9.615 -8.056 7.260 134 HG2 GLN 14 1HG GLN 14 -8.821 -6.898 8.997 135 HG3 GLN 14 2HG GLN 14 -7.246 -7.434 8.411 136 HE21 GLN 14 2HE2 GLN 14 -9.336 -4.767 8.925 137 HE22 GLN 14 1HE2 GLN 14 -8.271 -3.536 8.350 138 H GLN 15 H GLN 15 -8.066 -10.818 6.357 139 HA GLN 15 HA GLN 15 -10.009 -11.083 4.161 140 HB2 GLN 15 1HB GLN 15 -7.904 -11.762 3.220 141 HB3 GLN 15 2HB GLN 15 -7.537 -12.758 4.620 142 HG2 GLN 15 1HG GLN 15 -8.652 -14.502 3.809 143 HG3 GLN 15 2HG GLN 15 -10.032 -13.514 3.339 144 HE21 GLN 15 2HE2 GLN 15 -10.106 -12.624 1.273 145 HE22 GLN 15 1HE2 GLN 15 -9.080 -13.180 -0.002 146 H HIS 16 H HIS 16 -11.603 -12.647 4.429 147 HA HIS 16 HA HIS 16 -11.473 -14.301 6.851 148 HB2 HIS 16 1HB HIS 16 -12.717 -12.270 7.457 149 HB3 HIS 16 2HB HIS 16 -13.824 -12.548 6.118 150 HD1 HIS 16 HD1 HIS 16 -12.845 -13.991 9.461 151 HD2 HIS 16 HD2 HIS 16 -15.881 -14.312 6.641 152 HE1 HIS 16 HE1 HIS 16 -14.637 -15.372 10.556 153 HE2 HIS 16 HE2 HIS 16 -16.441 -15.599 8.814 154 H ILE 17 H ILE 17 -11.829 -16.351 6.302 155 HA ILE 17 HA ILE 17 -13.652 -16.896 4.046 156 HB ILE 17 HB ILE 17 -11.459 -18.777 4.884 157 HG12 ILE 17 1HG1 ILE 17 -11.259 -16.620 2.767 158 HG13 ILE 17 2HG1 ILE 17 -10.410 -16.611 4.308 159 HG21 ILE 17 1HG2 ILE 17 -12.738 -20.005 3.483 160 HG22 ILE 17 2HG2 ILE 17 -11.812 -19.152 2.248 161 HG23 ILE 17 3HG2 ILE 17 -13.425 -18.587 2.688 162 HD11 ILE 17 3HD1 ILE 17 -9.875 -19.066 2.959 163 HD12 ILE 17 1HD1 ILE 17 -8.759 -17.786 3.432 164 HD13 ILE 17 2HD1 ILE 17 -9.571 -17.714 1.868 165 H LEU 18 H LEU 18 -15.525 -17.633 4.817 166 HA LEU 18 HA LEU 18 -15.590 -19.973 6.480 167 HB2 LEU 18 1HB LEU 18 -15.642 -17.464 7.754 168 HB3 LEU 18 2HB LEU 18 -17.286 -18.065 7.807 169 HG LEU 18 HG LEU 18 -15.096 -19.912 8.626 170 HD11 LEU 18 1HD1 LEU 18 -14.457 -17.915 9.788 171 HD12 LEU 18 2HD1 LEU 18 -15.232 -19.010 10.933 172 HD13 LEU 18 3HD1 LEU 18 -16.120 -17.625 10.300 173 HD21 LEU 18 3HD2 LEU 18 -17.753 -19.472 9.944 174 HD22 LEU 18 1HD2 LEU 18 -16.751 -20.924 9.910 175 HD23 LEU 18 2HD2 LEU 18 -17.621 -20.418 8.461 176 HA PRO 19 HA PRO 19 -19.128 -19.800 3.600 177 HB2 PRO 19 1HB PRO 19 -19.315 -22.489 3.263 178 HB3 PRO 19 2HB PRO 19 -18.163 -21.487 2.371 179 HG2 PRO 19 1HG PRO 19 -17.716 -23.218 4.765 180 HG3 PRO 19 2HG PRO 19 -16.687 -22.980 3.341 181 HD2 PRO 19 1HD PRO 19 -16.238 -21.759 5.739 182 HD3 PRO 19 2HD PRO 19 -15.750 -21.066 4.182 183 H GLU 20 H GLU 20 -18.777 -22.152 6.271 184 HA GLU 20 HA GLU 20 -20.221 -22.944 7.832 185 HB2 GLU 20 1HB GLU 20 -20.409 -20.336 8.058 186 HB3 GLU 20 2HB GLU 20 -22.020 -20.589 7.403 187 HG2 GLU 20 1HG GLU 20 -21.428 -22.424 9.564 188 HG3 GLU 20 2HG GLU 20 -21.264 -20.741 10.056 189 H VAL 21 H VAL 21 -20.741 -23.434 4.883 190 HA VAL 21 HA VAL 21 -23.551 -24.293 5.152 191 HB VAL 21 HB VAL 21 -22.200 -23.466 2.574 192 HG11 VAL 21 1HG1 VAL 21 -25.107 -24.042 3.119 193 HG12 VAL 21 2HG1 VAL 21 -23.983 -25.194 2.402 194 HG13 VAL 21 3HG1 VAL 21 -24.363 -23.692 1.560 195 HG21 VAL 21 3HG2 VAL 21 -24.477 -21.880 3.516 196 HG22 VAL 21 1HG2 VAL 21 -22.952 -21.361 2.800 197 HG23 VAL 21 2HG2 VAL 21 -23.034 -21.741 4.519 198 HA PRO 22 HA PRO 22 -21.955 -28.418 4.674 199 HB2 PRO 22 1HB PRO 22 -24.180 -29.474 3.370 200 HB3 PRO 22 2HB PRO 22 -23.973 -29.369 5.121 201 HG2 PRO 22 1HG PRO 22 -25.459 -27.555 3.271 202 HG3 PRO 22 2HG PRO 22 -25.889 -28.089 4.906 203 HD2 PRO 22 1HD PRO 22 -24.915 -25.643 4.469 204 HD3 PRO 22 2HD PRO 22 -24.448 -26.567 5.913 205 HA PRO 23 HA PRO 23 -20.624 -27.821 0.361 206 HB2 PRO 23 1HB PRO 23 -18.258 -29.085 0.599 207 HB3 PRO 23 2HB PRO 23 -18.510 -27.439 1.193 208 HG2 PRO 23 1HG PRO 23 -18.495 -30.021 2.707 209 HG3 PRO 23 2HG PRO 23 -17.777 -28.461 3.147 210 HD2 PRO 23 1HD PRO 23 -20.166 -29.360 4.127 211 HD3 PRO 23 2HD PRO 23 -19.757 -27.643 3.959 212 H VAL 24 H VAL 24 -20.967 -29.093 -1.362 213 HA VAL 24 HA VAL 24 -21.092 -32.014 -0.960 214 HB VAL 24 HB VAL 24 -22.876 -30.438 -2.822 215 HG11 VAL 24 1HG1 VAL 24 -23.241 -33.272 -1.894 216 HG12 VAL 24 2HG1 VAL 24 -22.304 -32.869 -3.331 217 HG13 VAL 24 3HG1 VAL 24 -24.014 -32.449 -3.247 218 HG21 VAL 24 3HG2 VAL 24 -23.106 -30.345 -0.135 219 HG22 VAL 24 1HG2 VAL 24 -24.054 -31.790 -0.482 220 HG23 VAL 24 2HG2 VAL 24 -24.475 -30.256 -1.241 221 H GLU 25 H GLU 25 -20.781 -29.454 -3.429 222 HA GLU 25 HA GLU 25 -18.895 -31.199 -4.862 223 HB2 GLU 25 1HB GLU 25 -21.296 -30.625 -5.878 224 HB3 GLU 25 2HB GLU 25 -20.446 -29.175 -6.396 225 HG2 GLU 25 1HG GLU 25 -19.370 -30.258 -8.011 226 HG3 GLU 25 2HG GLU 25 -18.938 -31.594 -6.945 227 H ASN 26 H ASN 26 -19.952 -27.773 -4.796 228 HA ASN 26 HA ASN 26 -17.386 -26.830 -4.021 229 HB2 ASN 26 1HB ASN 26 -17.464 -27.440 -6.680 230 HB3 ASN 26 2HB ASN 26 -17.942 -25.747 -6.706 231 HD21 ASN 26 2HD2 ASN 26 -15.546 -26.884 -7.768 232 HD22 ASN 26 1HD2 ASN 26 -14.223 -26.157 -6.928 233 H PHE 27 H PHE 27 -17.814 -25.095 -2.834 234 HA PHE 27 HA PHE 27 -19.456 -22.951 -3.809 235 HB2 PHE 27 1HB PHE 27 -20.923 -24.861 -2.619 236 HB3 PHE 27 2HB PHE 27 -20.446 -23.949 -1.191 237 HD1 PHE 27 HD2 PHE 27 -20.853 -21.383 -1.281 238 HD2 PHE 27 HD1 PHE 27 -22.754 -24.198 -3.845 239 HE1 PHE 27 HE2 PHE 27 -22.646 -19.760 -1.727 240 HE2 PHE 27 HE1 PHE 27 -24.551 -22.580 -4.296 241 HZ PHE 27 HZ PHE 27 -24.499 -20.359 -3.236 242 HA PRO 28 HA PRO 28 -16.201 -21.958 -0.545 243 HB2 PRO 28 1HB PRO 28 -14.212 -21.038 -2.086 244 HB3 PRO 28 2HB PRO 28 -14.427 -22.767 -1.787 245 HG2 PRO 28 1HG PRO 28 -15.207 -21.147 -4.179 246 HG3 PRO 28 2HG PRO 28 -14.466 -22.756 -4.111 247 HD2 PRO 28 1HD PRO 28 -17.148 -22.308 -4.506 248 HD3 PRO 28 2HD PRO 28 -16.478 -23.796 -3.811 249 H VAL 29 H VAL 29 -16.323 -20.018 0.413 250 HA VAL 29 HA VAL 29 -16.621 -17.603 -1.223 251 HB VAL 29 HB VAL 29 -18.330 -18.110 1.216 252 HG11 VAL 29 1HG1 VAL 29 -17.770 -15.749 0.621 253 HG12 VAL 29 2HG1 VAL 29 -19.495 -16.119 0.592 254 HG13 VAL 29 3HG1 VAL 29 -18.593 -16.000 -0.919 255 HG21 VAL 29 3HG2 VAL 29 -19.324 -19.585 -0.234 256 HG22 VAL 29 1HG2 VAL 29 -18.833 -18.680 -1.667 257 HG23 VAL 29 2HG2 VAL 29 -20.168 -18.099 -0.670 258 H ARG 30 H ARG 30 -15.217 -16.087 -0.614 259 HA ARG 30 HA ARG 30 -14.346 -15.996 2.194 260 HB2 ARG 30 1HB ARG 30 -12.034 -15.363 1.260 261 HB3 ARG 30 2HB ARG 30 -12.500 -17.056 1.239 262 HG2 ARG 30 1HG ARG 30 -13.315 -16.478 -1.190 263 HG3 ARG 30 2HG ARG 30 -12.170 -15.147 -1.022 264 HD2 ARG 30 1HD ARG 30 -11.075 -17.029 -2.055 265 HD3 ARG 30 2HD ARG 30 -10.411 -16.776 -0.441 266 HE ARG 30 HE ARG 30 -12.413 -18.630 -0.120 267 HH11 ARG 30 1HH1 ARG 30 -9.484 -18.432 -2.029 268 HH12 ARG 30 2HH1 ARG 30 -9.208 -20.141 -2.009 269 HH21 ARG 30 1HH2 ARG 30 -12.044 -20.881 -0.095 270 HH22 ARG 30 2HH2 ARG 30 -10.661 -21.531 -0.910 271 H GLN 31 H GLN 31 -13.224 -13.925 2.737 272 HA GLN 31 HA GLN 31 -14.332 -11.683 1.180 273 HB2 GLN 31 1HB GLN 31 -15.014 -12.406 3.787 274 HB3 GLN 31 2HB GLN 31 -13.903 -11.056 3.979 275 HG2 GLN 31 1HG GLN 31 -15.319 -9.564 3.002 276 HG3 GLN 31 2HG GLN 31 -16.082 -10.784 1.985 277 HE21 GLN 31 2HE2 GLN 31 -17.793 -11.976 2.784 278 HE22 GLN 31 1HE2 GLN 31 -18.615 -11.560 4.244 279 H TRP 32 H TRP 32 -13.139 -9.677 1.335 280 HA TRP 32 HA TRP 32 -10.455 -9.741 2.401 281 HB2 TRP 32 1HB TRP 32 -9.473 -9.127 0.126 282 HB3 TRP 32 2HB TRP 32 -9.917 -10.814 0.360 283 HD1 TRP 32 HD1 TRP 32 -12.374 -11.531 -0.775 284 HE1 TRP 32 HE1 TRP 32 -13.394 -10.745 -3.001 285 HE3 TRP 32 HE3 TRP 32 -9.628 -7.274 -1.468 286 HZ2 TRP 32 HZ2 TRP 32 -13.073 -8.606 -4.816 287 HZ3 TRP 32 HZ3 TRP 32 -10.045 -5.915 -3.476 288 HH2 TRP 32 HH2 TRP 32 -11.734 -6.570 -5.114 289 H SER 33 H SER 33 -9.589 -7.736 2.732 290 HA SER 33 HA SER 33 -10.856 -5.385 1.574 291 HB2 SER 33 1HB SER 33 -11.061 -4.347 3.881 292 HB3 SER 33 2HB SER 33 -12.221 -5.627 3.526 293 HG SER 33 HG SER 33 -10.922 -7.057 4.727 294 H ILE 34 H ILE 34 -9.232 -4.164 0.862 295 HA ILE 34 HA ILE 34 -6.813 -3.930 2.515 296 HB ILE 34 HB ILE 34 -6.331 -5.509 0.703 297 HG12 ILE 34 1HG1 ILE 34 -4.737 -3.365 -0.383 298 HG13 ILE 34 2HG1 ILE 34 -4.875 -3.187 1.362 299 HG21 ILE 34 1HG2 ILE 34 -6.331 -4.770 -1.635 300 HG22 ILE 34 2HG2 ILE 34 -7.039 -3.232 -1.143 301 HG23 ILE 34 3HG2 ILE 34 -7.949 -4.727 -0.934 302 HD11 ILE 34 3HD1 ILE 34 -4.201 -5.636 1.494 303 HD12 ILE 34 1HD1 ILE 34 -2.960 -4.469 1.040 304 HD13 ILE 34 2HD1 ILE 34 -3.727 -5.467 -0.195 305 H GLU 35 H GLU 35 -5.856 -1.934 2.576 306 HA GLU 35 HA GLU 35 -6.999 0.188 0.888 307 HB2 GLU 35 1HB GLU 35 -7.023 1.714 2.803 308 HB3 GLU 35 2HB GLU 35 -8.062 0.326 3.089 309 HG2 GLU 35 1HG GLU 35 -6.994 -0.116 4.970 310 HG3 GLU 35 2HG GLU 35 -5.473 -0.277 4.096 311 H ILE 36 H ILE 36 -5.545 1.566 0.027 312 HA ILE 36 HA ILE 36 -2.761 1.422 0.996 313 HB ILE 36 HB ILE 36 -3.593 1.803 -1.885 314 HG12 ILE 36 1HG1 ILE 36 -2.315 -0.693 -0.791 315 HG13 ILE 36 2HG1 ILE 36 -4.066 -0.504 -0.806 316 HG21 ILE 36 1HG2 ILE 36 -1.498 2.756 -1.695 317 HG22 ILE 36 2HG2 ILE 36 -1.112 1.100 -2.163 318 HG23 ILE 36 3HG2 ILE 36 -0.964 1.598 -0.477 319 HD11 ILE 36 3HD1 ILE 36 -2.186 -0.634 -3.134 320 HD12 ILE 36 1HD1 ILE 36 -3.835 -0.026 -3.286 321 HD13 ILE 36 2HD1 ILE 36 -3.553 -1.683 -2.755 322 H VAL 37 H VAL 37 -2.445 3.331 2.019 323 HA VAL 37 HA VAL 37 -3.323 5.787 0.631 324 HB VAL 37 HB VAL 37 -2.862 5.520 3.598 325 HG11 VAL 37 1HG1 VAL 37 -3.803 7.695 1.796 326 HG12 VAL 37 2HG1 VAL 37 -2.719 7.770 3.186 327 HG13 VAL 37 3HG1 VAL 37 -4.458 7.604 3.430 328 HG21 VAL 37 3HG2 VAL 37 -4.745 4.303 3.609 329 HG22 VAL 37 1HG2 VAL 37 -5.193 4.796 1.975 330 HG23 VAL 37 2HG2 VAL 37 -5.547 5.851 3.344 331 H LEU 38 H LEU 38 -1.927 7.573 0.596 332 HA LEU 38 HA LEU 38 0.681 7.448 1.795 333 HB2 LEU 38 1HB LEU 38 0.337 6.361 -0.793 334 HB3 LEU 38 2HB LEU 38 1.190 7.881 -0.988 335 HG LEU 38 HG LEU 38 2.145 5.911 1.051 336 HD11 LEU 38 1HD1 LEU 38 3.715 5.321 -1.060 337 HD12 LEU 38 2HD1 LEU 38 2.166 5.560 -1.868 338 HD13 LEU 38 3HD1 LEU 38 2.312 4.371 -0.575 339 HD21 LEU 38 3HD2 LEU 38 2.982 8.384 0.487 340 HD22 LEU 38 1HD2 LEU 38 3.942 7.490 -0.691 341 HD23 LEU 38 2HD2 LEU 38 4.072 7.106 1.023 342 H LEU 39 H LEU 39 1.793 9.425 1.745 343 HA LEU 39 HA LEU 39 0.138 11.717 0.950 344 HB2 LEU 39 1HB LEU 39 1.550 11.127 3.299 345 HB3 LEU 39 2HB LEU 39 2.472 12.392 2.512 346 HG LEU 39 HG LEU 39 0.446 13.806 2.436 347 HD11 LEU 39 1HD1 LEU 39 -0.988 11.555 2.700 348 HD12 LEU 39 2HD1 LEU 39 -1.604 13.153 3.121 349 HD13 LEU 39 3HD1 LEU 39 -0.968 12.092 4.380 350 HD21 LEU 39 3HD2 LEU 39 1.529 12.780 5.028 351 HD22 LEU 39 1HD2 LEU 39 0.260 14.003 5.016 352 HD23 LEU 39 2HD2 LEU 39 1.805 14.328 4.233 353 H ASP 40 H ASP 40 1.244 13.639 0.127 354 HA ASP 40 HA ASP 40 3.872 13.599 -0.891 355 HB2 ASP 40 1HB ASP 40 2.522 11.934 -2.415 356 HB3 ASP 40 2HB ASP 40 1.917 13.413 -3.155 357 H ASP 41 H ASP 41 0.588 14.811 -1.479 358 HA ASP 41 HA ASP 41 1.487 17.372 -2.418 359 HB2 ASP 41 1HB ASP 41 -1.271 16.444 -1.583 360 HB3 ASP 41 2HB ASP 41 -0.909 17.966 -2.393 361 H GLU 42 H GLU 42 1.606 16.126 0.625 362 HA GLU 42 HA GLU 42 0.615 18.451 2.046 363 HB2 GLU 42 1HB GLU 42 1.571 15.747 2.776 364 HB3 GLU 42 2HB GLU 42 1.909 17.019 3.941 365 HG2 GLU 42 1HG GLU 42 -0.796 16.241 2.878 366 HG3 GLU 42 2HG GLU 42 -0.159 15.910 4.487 367 H GLY 43 H GLY 43 3.708 17.008 1.132 368 HA2 GLY 43 1HA GLY 43 5.074 19.345 2.306 369 HA3 GLY 43 2HA GLY 43 5.825 17.777 2.071 370 H LYS 44 H LYS 44 5.964 17.037 -0.239 371 HA LYS 44 HA LYS 44 6.162 19.224 -2.167 372 HB2 LYS 44 1HB LYS 44 8.416 18.138 -0.842 373 HB3 LYS 44 2HB LYS 44 8.453 17.519 -2.486 374 HG2 LYS 44 1HG LYS 44 7.832 20.298 -2.572 375 HG3 LYS 44 2HG LYS 44 9.247 20.055 -1.547 376 HD2 LYS 44 1HD LYS 44 10.124 18.565 -3.443 377 HD3 LYS 44 2HD LYS 44 8.868 19.314 -4.431 378 HE2 LYS 44 1HE LYS 44 10.548 21.163 -2.865 379 HE3 LYS 44 2HE LYS 44 11.368 20.298 -4.164 380 HZ1 LYS 44 3HZ LYS 44 8.900 21.925 -4.480 381 HZ2 LYS 44 1HZ LYS 44 9.734 21.132 -5.722 382 HZ3 LYS 44 2HZ LYS 44 10.459 22.423 -4.904 383 H GLU 45 H GLU 45 5.047 18.612 -3.879 384 HA GLU 45 HA GLU 45 4.726 15.768 -4.474 385 HB2 GLU 45 1HB GLU 45 2.952 16.532 -6.030 386 HB3 GLU 45 2HB GLU 45 2.684 17.064 -4.377 387 HG2 GLU 45 1HG GLU 45 2.744 19.218 -4.948 388 HG3 GLU 45 2HG GLU 45 4.178 19.003 -5.949 389 H ILE 46 H ILE 46 7.290 16.963 -5.016 390 HA ILE 46 HA ILE 46 7.361 16.624 -7.936 391 HB ILE 46 HB ILE 46 9.100 18.577 -6.422 392 HG12 ILE 46 1HG1 ILE 46 7.636 20.187 -7.975 393 HG13 ILE 46 2HG1 ILE 46 6.451 18.904 -7.756 394 HG21 ILE 46 1HG2 ILE 46 9.464 19.406 -8.821 395 HG22 ILE 46 2HG2 ILE 46 8.810 17.845 -9.314 396 HG23 ILE 46 3HG2 ILE 46 10.269 17.918 -8.327 397 HD11 ILE 46 3HD1 ILE 46 7.000 19.192 -5.236 398 HD12 ILE 46 1HD1 ILE 46 5.936 20.344 -6.043 399 HD13 ILE 46 2HD1 ILE 46 7.622 20.760 -5.742 400 HA PRO 47 HA PRO 47 10.379 13.550 -6.729 401 HB2 PRO 47 1HB PRO 47 10.977 12.653 -9.200 402 HB3 PRO 47 2HB PRO 47 9.436 12.279 -8.416 403 HG2 PRO 47 1HG PRO 47 10.057 14.366 -10.472 404 HG3 PRO 47 2HG PRO 47 8.679 13.256 -10.391 405 HD2 PRO 47 1HD PRO 47 8.548 15.852 -9.587 406 HD3 PRO 47 2HD PRO 47 7.554 14.567 -8.875 407 H ALA 48 H ALA 48 12.635 12.875 -7.840 408 HA ALA 48 HA ALA 48 14.138 15.131 -8.847 409 HB1 ALA 48 3HB ALA 48 15.413 14.022 -6.436 410 HB2 ALA 48 1HB ALA 48 13.983 15.015 -6.155 411 HB3 ALA 48 2HB ALA 48 15.357 15.679 -7.037 412 H THR 49 H THR 49 14.822 12.048 -7.153 413 HA THR 49 HA THR 49 16.684 11.360 -9.313 414 HB THR 49 HB THR 49 16.298 9.988 -6.643 415 HG1 THR 49 HG1 THR 49 18.006 11.183 -5.927 416 HG21 THR 49 3HG2 THR 49 18.814 9.870 -8.233 417 HG22 THR 49 1HG2 THR 49 17.479 8.787 -8.631 418 HG23 THR 49 2HG2 THR 49 18.189 8.753 -7.018 419 H ILE 50 H ILE 50 14.406 9.532 -7.263 420 HA ILE 50 HA ILE 50 13.465 8.160 -9.681 421 HB ILE 50 HB ILE 50 14.063 6.849 -7.019 422 HG12 ILE 50 1HG1 ILE 50 15.314 6.218 -9.684 423 HG13 ILE 50 2HG1 ILE 50 15.981 7.452 -8.622 424 HG21 ILE 50 1HG2 ILE 50 12.208 5.695 -7.816 425 HG22 ILE 50 2HG2 ILE 50 13.566 4.747 -8.418 426 HG23 ILE 50 3HG2 ILE 50 12.714 5.850 -9.497 427 HD11 ILE 50 3HD1 ILE 50 15.808 5.422 -6.887 428 HD12 ILE 50 1HD1 ILE 50 17.220 5.725 -7.899 429 HD13 ILE 50 2HD1 ILE 50 16.029 4.519 -8.386 430 H PHE 51 H PHE 51 12.380 7.409 -6.413 431 HA PHE 51 HA PHE 51 10.396 7.642 -5.365 432 HB2 PHE 51 1HB PHE 51 10.917 10.020 -5.414 433 HB3 PHE 51 2HB PHE 51 10.223 10.157 -7.025 434 HD1 PHE 51 HD2 PHE 51 9.071 8.652 -3.792 435 HD2 PHE 51 HD1 PHE 51 8.255 11.301 -7.022 436 HE1 PHE 51 HE2 PHE 51 6.873 9.167 -2.811 437 HE2 PHE 51 HE1 PHE 51 6.060 11.818 -6.046 438 HZ PHE 51 HZ PHE 51 5.367 10.752 -3.940 439 H ASP 52 H ASP 52 9.281 5.925 -6.041 440 HA ASP 52 HA ASP 52 7.029 6.346 -7.732 441 HB2 ASP 52 1HB ASP 52 8.038 4.085 -9.008 442 HB3 ASP 52 2HB ASP 52 7.904 5.695 -9.697 443 H LYS 53 H LYS 53 5.530 5.423 -6.528 444 HA LYS 53 HA LYS 53 6.185 2.974 -5.050 445 HB2 LYS 53 1HB LYS 53 3.721 4.679 -4.702 446 HB3 LYS 53 2HB LYS 53 4.381 3.491 -3.585 447 HG2 LYS 53 1HG LYS 53 5.822 4.953 -2.684 448 HG3 LYS 53 2HG LYS 53 6.202 5.696 -4.239 449 HD2 LYS 53 1HD LYS 53 3.497 6.168 -3.115 450 HD3 LYS 53 2HD LYS 53 4.857 6.980 -2.338 451 HE2 LYS 53 1HE LYS 53 5.501 7.972 -4.461 452 HE3 LYS 53 2HE LYS 53 4.201 7.110 -5.279 453 HZ1 LYS 53 3HZ LYS 53 3.676 9.001 -3.061 454 HZ2 LYS 53 1HZ LYS 53 2.584 8.398 -4.205 455 HZ3 LYS 53 2HZ LYS 53 3.767 9.511 -4.672 456 H VAL 54 H VAL 54 5.438 1.076 -5.752 457 HA VAL 54 HA VAL 54 2.991 1.050 -7.381 458 HB VAL 54 HB VAL 54 4.016 -0.801 -8.755 459 HG11 VAL 54 1HG1 VAL 54 4.663 2.072 -8.877 460 HG12 VAL 54 2HG1 VAL 54 3.880 1.030 -10.063 461 HG13 VAL 54 3HG1 VAL 54 5.635 1.018 -9.904 462 HG21 VAL 54 3HG2 VAL 54 6.598 -0.542 -8.873 463 HG22 VAL 54 1HG2 VAL 54 5.882 -1.548 -7.613 464 HG23 VAL 54 2HG2 VAL 54 6.434 0.081 -7.229 465 H ILE 55 H ILE 55 1.522 -0.122 -6.416 466 HA ILE 55 HA ILE 55 2.346 -2.310 -4.642 467 HB ILE 55 HB ILE 55 -0.382 -1.032 -4.829 468 HG12 ILE 55 1HG1 ILE 55 0.611 -0.136 -2.472 469 HG13 ILE 55 2HG1 ILE 55 2.084 -0.162 -3.437 470 HG21 ILE 55 1HG2 ILE 55 -0.271 -1.983 -2.354 471 HG22 ILE 55 2HG2 ILE 55 0.860 -3.103 -3.114 472 HG23 ILE 55 3HG2 ILE 55 -0.790 -2.968 -3.720 473 HD11 ILE 55 3HD1 ILE 55 -0.353 1.116 -4.565 474 HD12 ILE 55 1HD1 ILE 55 1.349 1.480 -4.845 475 HD13 ILE 55 2HD1 ILE 55 0.581 1.968 -3.336 476 H TYR 56 H TYR 56 1.354 -4.347 -4.759 477 HA TYR 56 HA TYR 56 -0.289 -4.916 -7.119 478 HB2 TYR 56 1HB TYR 56 2.374 -6.121 -6.441 479 HB3 TYR 56 2HB TYR 56 1.164 -7.099 -7.266 480 HD1 TYR 56 HD1 TYR 56 2.895 -3.797 -7.540 481 HD2 TYR 56 HD2 TYR 56 1.058 -7.045 -9.582 482 HE1 TYR 56 HE1 TYR 56 3.581 -2.825 -9.691 483 HE2 TYR 56 HE2 TYR 56 1.739 -6.083 -11.739 484 HH TYR 56 HH TYR 56 3.868 -4.303 -12.372 485 H HIS 57 H HIS 57 -2.075 -5.920 -6.462 486 HA HIS 57 HA HIS 57 -1.903 -7.715 -4.129 487 HB2 HIS 57 1HB HIS 57 -4.145 -5.835 -4.888 488 HB3 HIS 57 2HB HIS 57 -4.256 -7.044 -3.616 489 HD1 HIS 57 HD1 HIS 57 -1.066 -6.173 -2.901 490 HD2 HIS 57 HD2 HIS 57 -4.568 -3.937 -2.764 491 HE1 HIS 57 HE1 HIS 57 -0.608 -4.308 -1.285 492 HE2 HIS 57 HE2 HIS 57 -2.762 -3.012 -1.158 493 H LEU 58 H LEU 58 -2.235 -9.764 -4.697 494 HA LEU 58 HA LEU 58 -3.076 -11.624 -5.684 495 HB2 LEU 58 1HB LEU 58 -5.362 -9.796 -6.448 496 HB3 LEU 58 2HB LEU 58 -5.377 -11.541 -6.606 497 HG LEU 58 HG LEU 58 -4.774 -11.263 -3.959 498 HD11 LEU 58 1HD1 LEU 58 -6.990 -9.352 -4.098 499 HD12 LEU 58 2HD1 LEU 58 -5.434 -8.709 -4.619 500 HD13 LEU 58 3HD1 LEU 58 -5.603 -9.411 -3.011 501 HD21 LEU 58 3HD2 LEU 58 -6.829 -12.222 -3.585 502 HD22 LEU 58 1HD2 LEU 58 -6.605 -12.566 -5.299 503 HD23 LEU 58 2HD2 LEU 58 -7.637 -11.228 -4.796 504 H HIS 59 H HIS 59 -4.129 -12.344 -7.983 505 HA HIS 59 HA HIS 59 -2.145 -11.889 -9.895 506 HB2 HIS 59 1HB HIS 59 -4.450 -13.516 -9.670 507 HB3 HIS 59 2HB HIS 59 -4.611 -12.631 -11.184 508 HD1 HIS 59 HD1 HIS 59 -2.321 -15.064 -9.437 509 HD2 HIS 59 HD2 HIS 59 -2.962 -13.479 -13.225 510 HE1 HIS 59 HE1 HIS 59 -0.884 -16.426 -10.988 511 HE2 HIS 59 HE2 HIS 59 -1.372 -15.519 -13.286 512 HA PRO 60 HA PRO 60 -3.435 -7.714 -11.085 513 HB2 PRO 60 1HB PRO 60 -1.260 -8.137 -13.051 514 HB3 PRO 60 2HB PRO 60 -1.523 -6.814 -11.913 515 HG2 PRO 60 1HG PRO 60 0.379 -8.617 -11.466 516 HG3 PRO 60 2HG PRO 60 -0.604 -7.986 -10.131 517 HD2 PRO 60 1HD PRO 60 -0.833 -10.603 -11.578 518 HD3 PRO 60 2HD PRO 60 -0.965 -10.264 -9.838 519 H THR 61 H THR 61 -3.222 -10.581 -13.039 520 HA THR 61 HA THR 61 -4.237 -9.414 -15.446 521 HB THR 61 HB THR 61 -4.435 -12.334 -14.740 522 HG1 THR 61 HG1 THR 61 -2.113 -10.934 -15.584 523 HG21 THR 61 3HG2 THR 61 -4.631 -12.732 -16.922 524 HG22 THR 61 1HG2 THR 61 -3.427 -11.519 -17.357 525 HG23 THR 61 2HG2 THR 61 -5.091 -11.034 -17.031 526 H PHE 62 H PHE 62 -5.733 -9.591 -12.581 527 HA PHE 62 HA PHE 62 -8.372 -9.865 -13.823 528 HB2 PHE 62 1HB PHE 62 -7.240 -11.628 -11.809 529 HB3 PHE 62 2HB PHE 62 -8.722 -10.862 -11.242 530 HD1 PHE 62 HD1 PHE 62 -7.272 -13.010 -13.858 531 HD2 PHE 62 HD2 PHE 62 -10.833 -11.462 -12.120 532 HE1 PHE 62 HE1 PHE 62 -8.600 -14.631 -15.149 533 HE2 PHE 62 HE2 PHE 62 -12.168 -13.079 -13.405 534 HZ PHE 62 HZ PHE 62 -11.053 -14.666 -14.923 535 H ALA 63 H ALA 63 -6.660 -8.976 -10.813 536 HA ALA 63 HA ALA 63 -8.709 -7.004 -10.188 537 HB1 ALA 63 3HB ALA 63 -8.153 -7.798 -8.168 538 HB2 ALA 63 1HB ALA 63 -6.819 -6.650 -8.273 539 HB3 ALA 63 2HB ALA 63 -6.563 -8.343 -8.701 540 H ASN 64 H ASN 64 -5.753 -7.070 -11.886 541 HA ASN 64 HA ASN 64 -4.593 -5.433 -12.956 542 HB2 ASN 64 1HB ASN 64 -6.962 -4.332 -12.978 543 HB3 ASN 64 2HB ASN 64 -6.303 -3.301 -11.712 544 HD21 ASN 64 2HD2 ASN 64 -5.847 -1.400 -12.575 545 HD22 ASN 64 1HD2 ASN 64 -5.011 -1.142 -14.064 546 HA PRO 65 HA PRO 65 -1.636 -4.370 -9.833 547 HB2 PRO 65 1HB PRO 65 -0.541 -2.431 -11.768 548 HB3 PRO 65 2HB PRO 65 0.225 -3.843 -11.037 549 HG2 PRO 65 1HG PRO 65 -0.506 -3.820 -13.618 550 HG3 PRO 65 2HG PRO 65 -0.610 -5.289 -12.632 551 HD2 PRO 65 1HD PRO 65 -2.779 -3.401 -13.459 552 HD3 PRO 65 2HD PRO 65 -2.803 -5.174 -13.364 553 H ASN 66 H ASN 66 -0.657 -2.419 -8.774 554 HA ASN 66 HA ASN 66 -2.513 -0.130 -8.795 555 HB2 ASN 66 1HB ASN 66 -1.284 -1.554 -6.431 556 HB3 ASN 66 2HB ASN 66 -1.982 0.056 -6.310 557 HD21 ASN 66 2HD2 ASN 66 -3.947 0.021 -5.493 558 HD22 ASN 66 1HD2 ASN 66 -5.139 -1.202 -5.750 559 H ARG 67 H ARG 67 -1.623 1.881 -8.762 560 HA ARG 67 HA ARG 67 1.297 2.073 -8.458 561 HB2 ARG 67 1HB ARG 67 -0.101 2.378 -10.861 562 HB3 ARG 67 2HB ARG 67 0.262 4.019 -10.340 563 HG2 ARG 67 1HG ARG 67 2.262 3.752 -11.253 564 HG3 ARG 67 2HG ARG 67 2.632 2.640 -9.934 565 HD2 ARG 67 1HD ARG 67 2.270 0.777 -11.220 566 HD3 ARG 67 2HD ARG 67 1.144 1.604 -12.294 567 HE ARG 67 HE ARG 67 3.545 2.802 -12.776 568 HH11 ARG 67 1HH1 ARG 67 2.399 -0.510 -12.868 569 HH12 ARG 67 2HH1 ARG 67 3.500 -0.984 -14.117 570 HH21 ARG 67 1HH2 ARG 67 4.988 2.172 -14.422 571 HH22 ARG 67 2HH2 ARG 67 4.970 0.539 -15.000 572 H THR 68 H THR 68 2.102 3.964 -7.582 573 HA THR 68 HA THR 68 0.176 5.977 -6.675 574 HB THR 68 HB THR 68 2.036 5.719 -4.582 575 HG1 THR 68 HG1 THR 68 2.005 3.613 -4.031 576 HG21 THR 68 3HG2 THR 68 -0.722 4.561 -4.487 577 HG22 THR 68 1HG2 THR 68 -0.435 6.301 -4.512 578 HG23 THR 68 2HG2 THR 68 0.208 5.319 -3.195 579 H PHE 69 H PHE 69 0.906 8.017 -6.726 580 HA PHE 69 HA PHE 69 3.694 8.679 -6.702 581 HB2 PHE 69 1HB PHE 69 3.245 7.876 -9.077 582 HB3 PHE 69 2HB PHE 69 2.214 9.289 -9.259 583 HD1 PHE 69 HD1 PHE 69 5.631 8.582 -7.918 584 HD2 PHE 69 HD2 PHE 69 3.178 11.022 -10.396 585 HE1 PHE 69 HE1 PHE 69 7.593 9.927 -8.534 586 HE2 PHE 69 HE2 PHE 69 5.140 12.370 -11.015 587 HZ PHE 69 HZ PHE 69 7.352 11.823 -10.083 588 H THR 70 H THR 70 0.482 9.834 -7.716 589 HA THR 70 HA THR 70 0.579 11.993 -5.815 590 HB THR 70 HB THR 70 1.886 13.006 -7.579 591 HG1 THR 70 HG1 THR 70 0.613 14.807 -7.977 592 HG21 THR 70 3HG2 THR 70 1.312 13.185 -9.811 593 HG22 THR 70 1HG2 THR 70 -0.372 12.750 -9.518 594 HG23 THR 70 2HG2 THR 70 0.885 11.521 -9.410 595 H ASP 71 H ASP 71 -1.129 9.782 -6.104 596 HA ASP 71 HA ASP 71 -3.665 11.122 -6.777 597 HB2 ASP 71 1HB ASP 71 -2.754 8.340 -7.489 598 HB3 ASP 71 2HB ASP 71 -4.464 8.729 -7.368 599 HA PRO 72 HA PRO 72 -5.262 10.122 -2.782 600 HB2 PRO 72 1HB PRO 72 -7.610 8.865 -4.114 601 HB3 PRO 72 2HB PRO 72 -7.557 10.169 -2.924 602 HG2 PRO 72 1HG PRO 72 -8.082 10.683 -5.482 603 HG3 PRO 72 2HG PRO 72 -7.079 11.782 -4.516 604 HD2 PRO 72 1HD PRO 72 -6.252 9.776 -6.576 605 HD3 PRO 72 2HD PRO 72 -5.604 11.397 -6.256 606 HA PRO 73 HA PRO 73 -4.512 5.944 -1.576 607 HB2 PRO 73 1HB PRO 73 -6.725 5.299 -0.043 608 HB3 PRO 73 2HB PRO 73 -5.327 6.213 0.531 609 HG2 PRO 73 1HG PRO 73 -7.977 7.206 -0.425 610 HG3 PRO 73 2HG PRO 73 -6.986 7.777 0.931 611 HD2 PRO 73 1HD PRO 73 -7.072 9.105 -1.393 612 HD3 PRO 73 2HD PRO 73 -5.568 8.986 -0.457 613 H PHE 74 H PHE 74 -5.416 3.664 -1.565 614 HA PHE 74 HA PHE 74 -7.556 3.287 -3.539 615 HB2 PHE 74 1HB PHE 74 -4.820 2.945 -4.139 616 HB3 PHE 74 2HB PHE 74 -5.491 1.325 -3.982 617 HD1 PHE 74 HD1 PHE 74 -7.820 1.002 -5.215 618 HD2 PHE 74 HD2 PHE 74 -4.915 3.956 -6.194 619 HE1 PHE 74 HE1 PHE 74 -8.761 1.172 -7.482 620 HE2 PHE 74 HE2 PHE 74 -5.852 4.130 -8.462 621 HZ PHE 74 HZ PHE 74 -7.777 2.737 -9.108 622 H ARG 75 H ARG 75 -8.845 2.605 -1.788 623 HA ARG 75 HA ARG 75 -8.074 0.038 -0.593 624 HB2 ARG 75 1HB ARG 75 -9.907 0.617 1.089 625 HB3 ARG 75 2HB ARG 75 -8.420 1.543 1.170 626 HG2 ARG 75 1HG ARG 75 -10.494 2.712 -0.539 627 HG3 ARG 75 2HG ARG 75 -10.906 2.610 1.174 628 HD2 ARG 75 1HD ARG 75 -9.477 4.239 1.716 629 HD3 ARG 75 2HD ARG 75 -8.186 3.539 0.741 630 HE ARG 75 HE ARG 75 -8.737 4.962 -0.970 631 HH11 ARG 75 1HH1 ARG 75 -11.304 5.006 1.416 632 HH12 ARG 75 2HH1 ARG 75 -12.102 6.374 0.714 633 HH21 ARG 75 1HH2 ARG 75 -9.794 6.760 -1.895 634 HH22 ARG 75 2HH2 ARG 75 -11.244 7.370 -1.167 635 H ILE 76 H ILE 76 -9.228 -1.740 -1.026 636 HA ILE 76 HA ILE 76 -11.902 -1.456 -2.214 637 HB ILE 76 HB ILE 76 -9.915 -3.462 -3.269 638 HG12 ILE 76 1HG1 ILE 76 -10.169 -1.695 -5.312 639 HG13 ILE 76 2HG1 ILE 76 -10.242 -0.594 -3.940 640 HG21 ILE 76 1HG2 ILE 76 -11.522 -3.463 -5.193 641 HG22 ILE 76 2HG2 ILE 76 -12.590 -2.458 -4.214 642 HG23 ILE 76 3HG2 ILE 76 -12.173 -4.085 -3.678 643 HD11 ILE 76 3HD1 ILE 76 -8.102 -2.431 -3.541 644 HD12 ILE 76 1HD1 ILE 76 -8.047 -0.678 -3.727 645 HD13 ILE 76 2HD1 ILE 76 -7.970 -1.718 -5.149 646 H GLU 77 H GLU 77 -13.360 -2.699 -1.230 647 HA GLU 77 HA GLU 77 -12.460 -5.145 0.138 648 HB2 GLU 77 1HB GLU 77 -14.209 -4.621 1.902 649 HB3 GLU 77 2HB GLU 77 -12.766 -3.617 1.919 650 HG2 GLU 77 1HG GLU 77 -14.128 -1.966 0.513 651 HG3 GLU 77 2HG GLU 77 -15.532 -2.904 1.020 652 H GLU 78 H GLU 78 -13.533 -6.903 -0.464 653 HA GLU 78 HA GLU 78 -16.349 -6.785 -1.146 654 HB2 GLU 78 1HB GLU 78 -14.226 -6.999 -3.159 655 HB3 GLU 78 2HB GLU 78 -15.447 -8.257 -3.283 656 HG2 GLU 78 1HG GLU 78 -17.180 -6.663 -3.574 657 HG3 GLU 78 2HG GLU 78 -16.109 -5.330 -3.148 658 H GLN 79 H GLN 79 -17.114 -9.068 -1.831 659 HA GLN 79 HA GLN 79 -15.722 -11.070 -0.172 660 HB2 GLN 79 1HB GLN 79 -17.906 -12.048 0.349 661 HB3 GLN 79 2HB GLN 79 -17.827 -10.370 0.862 662 HG2 GLN 79 1HG GLN 79 -19.225 -9.657 -0.889 663 HG3 GLN 79 2HG GLN 79 -19.049 -11.183 -1.754 664 HE21 GLN 79 2HE2 GLN 79 -21.464 -10.890 -1.725 665 HE22 GLN 79 1HE2 GLN 79 -22.320 -11.576 -0.390 666 H GLY 80 H GLY 80 -16.769 -13.368 -0.778 667 HA2 GLY 80 1HA GLY 80 -17.287 -14.936 -2.443 668 HA3 GLY 80 2HA GLY 80 -17.097 -13.685 -3.659 669 H TRP 81 H TRP 81 -15.827 -15.180 -4.906 670 HA TRP 81 HA TRP 81 -13.436 -16.315 -3.872 671 HB2 TRP 81 1HB TRP 81 -12.964 -17.030 -6.110 672 HB3 TRP 81 2HB TRP 81 -14.690 -17.211 -5.844 673 HD1 TRP 81 HD1 TRP 81 -15.414 -14.078 -6.493 674 HE1 TRP 81 HE1 TRP 81 -15.398 -13.331 -8.952 675 HE3 TRP 81 HE3 TRP 81 -12.485 -17.785 -8.449 676 HZ2 TRP 81 HZ2 TRP 81 -14.294 -14.199 -11.403 677 HZ3 TRP 81 HZ3 TRP 81 -11.998 -17.753 -10.861 678 HH2 TRP 81 HH2 TRP 81 -12.886 -15.998 -12.305 679 H GLY 82 H GLY 82 -11.431 -15.527 -3.695 680 HA2 GLY 82 1HA GLY 82 -10.106 -13.738 -5.293 681 HA3 GLY 82 2HA GLY 82 -10.986 -12.729 -4.156 682 H GLY 83 H GLY 83 -8.322 -14.909 -4.605 683 HA2 GLY 83 1HA GLY 83 -7.123 -13.952 -2.150 684 HA3 GLY 83 2HA GLY 83 -7.501 -15.667 -2.154 685 H PHE 84 H PHE 84 -5.209 -13.330 -2.941 686 HA PHE 84 HA PHE 84 -3.431 -15.338 -4.031 687 HB2 PHE 84 1HB PHE 84 -4.462 -13.039 -5.656 688 HB3 PHE 84 2HB PHE 84 -2.830 -13.629 -5.928 689 HD1 PHE 84 HD2 PHE 84 -2.666 -16.262 -6.228 690 HD2 PHE 84 HD1 PHE 84 -6.170 -13.937 -6.895 691 HE1 PHE 84 HE2 PHE 84 -3.558 -18.030 -7.686 692 HE2 PHE 84 HE1 PHE 84 -7.067 -15.702 -8.355 693 HZ PHE 84 HZ PHE 84 -5.760 -17.752 -8.752 694 HA PRO 85 HA PRO 85 -0.134 -13.243 -2.006 695 HB2 PRO 85 1HB PRO 85 1.658 -12.746 -4.083 696 HB3 PRO 85 2HB PRO 85 1.545 -14.230 -3.141 697 HG2 PRO 85 1HG PRO 85 0.405 -13.601 -5.823 698 HG3 PRO 85 2HG PRO 85 1.115 -15.115 -5.231 699 HD2 PRO 85 1HD PRO 85 -1.528 -14.829 -5.464 700 HD3 PRO 85 2HD PRO 85 -0.823 -15.724 -4.101 701 H LEU 86 H LEU 86 1.208 -11.284 -1.901 702 HA LEU 86 HA LEU 86 0.120 -8.980 -3.368 703 HB2 LEU 86 1HB LEU 86 0.189 -9.461 -0.434 704 HB3 LEU 86 2HB LEU 86 0.579 -7.843 -0.983 705 HG LEU 86 HG LEU 86 -1.648 -7.926 -2.257 706 HD11 LEU 86 1HD1 LEU 86 -1.718 -10.468 -0.777 707 HD12 LEU 86 2HD1 LEU 86 -2.540 -9.990 -2.263 708 HD13 LEU 86 3HD1 LEU 86 -3.186 -9.494 -0.700 709 HD21 LEU 86 3HD2 LEU 86 -2.905 -7.283 -0.238 710 HD22 LEU 86 1HD2 LEU 86 -1.311 -6.534 -0.305 711 HD23 LEU 86 2HD2 LEU 86 -1.594 -7.911 0.759 712 H ASP 87 H ASP 87 1.563 -7.134 -3.427 713 HA ASP 87 HA ASP 87 4.252 -7.394 -2.428 714 HB2 ASP 87 1HB ASP 87 4.342 -8.772 -4.487 715 HB3 ASP 87 2HB ASP 87 3.812 -7.377 -5.425 716 H ILE 88 H ILE 88 4.807 -5.419 -1.783 717 HA ILE 88 HA ILE 88 3.845 -3.104 -3.342 718 HB ILE 88 HB ILE 88 4.247 -3.079 -0.351 719 HG12 ILE 88 1HG1 ILE 88 1.516 -2.826 -0.844 720 HG13 ILE 88 2HG1 ILE 88 2.020 -4.131 -1.913 721 HG21 ILE 88 1HG2 ILE 88 4.136 -1.004 -2.092 722 HG22 ILE 88 2HG2 ILE 88 3.659 -0.914 -0.398 723 HG23 ILE 88 3HG2 ILE 88 2.439 -1.163 -1.646 724 HD11 ILE 88 3HD1 ILE 88 1.338 -4.394 0.715 725 HD12 ILE 88 1HD1 ILE 88 3.100 -4.366 0.781 726 HD13 ILE 88 2HD1 ILE 88 2.273 -5.556 -0.225 727 H SER 89 H SER 89 5.420 -1.797 -4.067 728 HA SER 89 HA SER 89 8.001 -1.813 -2.652 729 HB2 SER 89 1HB SER 89 9.127 -1.595 -4.868 730 HB3 SER 89 2HB SER 89 8.306 -3.139 -4.648 731 HG SER 89 HG SER 89 7.796 -2.338 -6.669 732 H VAL 90 H VAL 90 8.375 0.113 -1.846 733 HA VAL 90 HA VAL 90 7.283 2.481 -3.197 734 HB VAL 90 HB VAL 90 8.367 2.284 -0.381 735 HG11 VAL 90 1HG1 VAL 90 6.438 4.361 -0.828 736 HG12 VAL 90 2HG1 VAL 90 7.761 4.506 -1.985 737 HG13 VAL 90 3HG1 VAL 90 8.101 4.483 -0.256 738 HG21 VAL 90 3HG2 VAL 90 6.101 2.143 0.400 739 HG22 VAL 90 1HG2 VAL 90 6.374 0.841 -0.758 740 HG23 VAL 90 2HG2 VAL 90 5.477 2.280 -1.243 741 H PHE 91 H PHE 91 8.580 4.133 -3.880 742 HA PHE 91 HA PHE 91 11.465 3.932 -3.355 743 HB2 PHE 91 1HB PHE 91 10.073 4.098 -5.998 744 HB3 PHE 91 2HB PHE 91 11.635 4.885 -5.810 745 HD1 PHE 91 HD1 PHE 91 13.476 3.344 -4.665 746 HD2 PHE 91 HD2 PHE 91 10.045 1.938 -6.756 747 HE1 PHE 91 HE1 PHE 91 14.608 1.198 -5.072 748 HE2 PHE 91 HE2 PHE 91 11.170 -0.211 -7.164 749 HZ PHE 91 HZ PHE 91 13.456 -0.583 -6.322 750 H LEU 92 H LEU 92 12.621 5.931 -3.500 751 HA LEU 92 HA LEU 92 11.070 8.387 -3.709 752 HB2 LEU 92 1HB LEU 92 12.338 9.040 -1.451 753 HB3 LEU 92 2HB LEU 92 10.737 8.331 -1.467 754 HG LEU 92 HG LEU 92 13.004 6.431 -1.346 755 HD11 LEU 92 1HD1 LEU 92 12.199 7.717 1.212 756 HD12 LEU 92 2HD1 LEU 92 13.425 8.496 0.213 757 HD13 LEU 92 3HD1 LEU 92 13.677 6.851 0.796 758 HD21 LEU 92 3HD2 LEU 92 11.071 5.978 0.632 759 HD22 LEU 92 1HD2 LEU 92 11.272 5.123 -0.896 760 HD23 LEU 92 2HD2 LEU 92 10.189 6.512 -0.798 761 H LEU 93 H LEU 93 12.958 10.160 -2.689 762 HA LEU 93 HA LEU 93 14.696 10.510 -4.827 763 HB2 LEU 93 1HB LEU 93 14.502 11.660 -2.087 764 HB3 LEU 93 2HB LEU 93 15.970 11.957 -3.000 765 HG LEU 93 HG LEU 93 14.452 12.821 -4.867 766 HD11 LEU 93 1HD1 LEU 93 12.484 12.341 -2.704 767 HD12 LEU 93 2HD1 LEU 93 12.297 12.241 -4.455 768 HD13 LEU 93 3HD1 LEU 93 12.306 13.813 -3.657 769 HD21 LEU 93 3HD2 LEU 93 14.947 14.881 -4.151 770 HD22 LEU 93 1HD2 LEU 93 15.683 14.074 -2.768 771 HD23 LEU 93 2HD2 LEU 93 14.032 14.685 -2.657 772 H GLU 94 H GLU 94 15.663 9.567 -1.495 773 HA GLU 94 HA GLU 94 17.303 7.436 -2.231 774 HB2 GLU 94 1HB GLU 94 18.494 9.639 -3.192 775 HB3 GLU 94 2HB GLU 94 19.129 9.689 -1.555 776 HG2 GLU 94 1HG GLU 94 20.754 8.490 -2.619 777 HG3 GLU 94 2HG GLU 94 19.724 7.191 -2.018 778 H LYS 95 H LYS 95 15.568 7.707 -0.221 779 HA LYS 95 HA LYS 95 17.213 8.067 2.192 780 HB2 LYS 95 1HB LYS 95 14.868 9.318 1.607 781 HB3 LYS 95 2HB LYS 95 14.273 7.922 2.494 782 HG2 LYS 95 1HG LYS 95 14.571 9.749 4.014 783 HG3 LYS 95 2HG LYS 95 15.783 8.516 4.363 784 HD2 LYS 95 1HD LYS 95 16.974 10.525 4.446 785 HD3 LYS 95 2HD LYS 95 17.333 9.881 2.843 786 HE2 LYS 95 1HE LYS 95 15.262 11.326 2.139 787 HE3 LYS 95 2HE LYS 95 15.622 12.201 3.626 788 HZ1 LYS 95 3HZ LYS 95 16.705 12.878 1.352 789 HZ2 LYS 95 1HZ LYS 95 17.827 11.679 1.766 790 HZ3 LYS 95 2HZ LYS 95 17.574 12.994 2.799 791 H ALA 96 H ALA 96 15.213 6.706 3.850 792 HA ALA 96 HA ALA 96 16.002 3.955 3.229 793 HB1 ALA 96 3HB ALA 96 15.328 3.492 5.579 794 HB2 ALA 96 1HB ALA 96 14.983 5.210 5.768 795 HB3 ALA 96 2HB ALA 96 16.628 4.673 5.421 796 H GLY 97 H GLY 97 13.230 5.953 3.067 797 HA2 GLY 97 1HA GLY 97 11.177 4.145 3.680 798 HA3 GLY 97 2HA GLY 97 11.027 5.531 2.611 799 H GLU 98 H GLU 98 13.262 4.321 0.907 800 HA GLU 98 HA GLU 98 11.578 2.981 -0.937 801 HB2 GLU 98 1HB GLU 98 13.685 2.572 -2.213 802 HB3 GLU 98 2HB GLU 98 13.434 4.257 -1.781 803 HG2 GLU 98 1HG GLU 98 14.928 3.568 0.295 804 HG3 GLU 98 2HG GLU 98 15.481 2.329 -0.826 805 H ARG 99 H ARG 99 10.698 1.245 0.255 806 HA ARG 99 HA ARG 99 12.450 -1.098 0.343 807 HB2 ARG 99 1HB ARG 99 10.945 0.077 2.644 808 HB3 ARG 99 2HB ARG 99 11.138 -1.667 2.551 809 HG2 ARG 99 1HG ARG 99 13.676 -0.561 2.063 810 HG3 ARG 99 2HG ARG 99 12.995 0.314 3.437 811 HD2 ARG 99 1HD ARG 99 12.900 -1.555 4.759 812 HD3 ARG 99 2HD ARG 99 12.753 -2.651 3.385 813 HE ARG 99 HE ARG 99 15.270 -1.610 3.170 814 HH11 ARG 99 1HH1 ARG 99 13.529 -3.349 5.666 815 HH12 ARG 99 2HH1 ARG 99 14.954 -4.084 6.320 816 HH21 ARG 99 1HH2 ARG 99 17.142 -2.590 4.031 817 HH22 ARG 99 2HH2 ARG 99 17.004 -3.653 5.392 818 H LYS 100 H LYS 100 11.329 -3.130 0.371 819 HA LYS 100 HA LYS 100 8.693 -2.964 -0.912 820 HB2 LYS 100 1HB LYS 100 11.020 -4.764 -1.190 821 HB3 LYS 100 2HB LYS 100 9.447 -5.552 -1.247 822 HG2 LYS 100 1HG LYS 100 9.004 -3.506 -2.933 823 HG3 LYS 100 2HG LYS 100 10.735 -3.743 -3.178 824 HD2 LYS 100 1HD LYS 100 9.262 -6.253 -3.117 825 HD3 LYS 100 2HD LYS 100 8.698 -5.169 -4.391 826 HE2 LYS 100 1HE LYS 100 11.626 -5.662 -3.994 827 HE3 LYS 100 2HE LYS 100 10.638 -6.820 -4.886 828 HZ1 LYS 100 3HZ LYS 100 10.637 -3.943 -5.577 829 HZ2 LYS 100 1HZ LYS 100 10.168 -5.259 -6.533 830 HZ3 LYS 100 2HZ LYS 100 11.805 -4.996 -6.199 831 H ILE 101 H ILE 101 7.028 -4.447 -0.304 832 HA ILE 101 HA ILE 101 7.356 -5.762 2.297 833 HB ILE 101 HB ILE 101 4.938 -4.079 1.644 834 HG12 ILE 101 1HG1 ILE 101 7.176 -3.356 3.545 835 HG13 ILE 101 2HG1 ILE 101 7.057 -2.729 1.905 836 HG21 ILE 101 1HG2 ILE 101 4.987 -4.325 4.328 837 HG22 ILE 101 2HG2 ILE 101 5.724 -5.856 3.856 838 HG23 ILE 101 3HG2 ILE 101 4.125 -5.425 3.253 839 HD11 ILE 101 3HD1 ILE 101 4.614 -2.377 3.447 840 HD12 ILE 101 1HD1 ILE 101 5.529 -1.221 2.478 841 HD13 ILE 101 2HD1 ILE 101 6.016 -1.562 4.140 842 HA PRO 102 HA PRO 102 5.220 -8.700 -0.450 843 HB2 PRO 102 1HB PRO 102 6.290 -10.929 0.584 844 HB3 PRO 102 2HB PRO 102 7.215 -9.878 -0.496 845 HG2 PRO 102 1HG PRO 102 7.309 -10.081 2.488 846 HG3 PRO 102 2HG PRO 102 8.646 -9.913 1.334 847 HD2 PRO 102 1HD PRO 102 7.571 -7.831 2.779 848 HD3 PRO 102 2HD PRO 102 8.426 -7.640 1.238 849 H HIS 103 H HIS 103 3.199 -9.432 -0.086 850 HA HIS 103 HA HIS 103 2.479 -10.354 2.617 851 HB2 HIS 103 1HB HIS 103 1.185 -8.230 0.965 852 HB3 HIS 103 2HB HIS 103 0.153 -9.259 1.953 853 HD1 HIS 103 HD1 HIS 103 -0.420 -8.002 3.990 854 HD2 HIS 103 HD2 HIS 103 3.549 -7.445 2.901 855 HE1 HIS 103 HE1 HIS 103 0.575 -6.554 5.790 856 HE2 HIS 103 HE2 HIS 103 3.014 -6.376 5.191 857 H ASP 104 H ASP 104 0.349 -11.545 2.619 858 HA ASP 104 HA ASP 104 -0.164 -12.940 0.088 859 HB2 ASP 104 1HB ASP 104 1.314 -14.129 2.041 860 HB3 ASP 104 2HB ASP 104 -0.306 -14.642 2.497 861 H LEU 105 H LEU 105 -2.292 -13.312 -0.332 862 HA LEU 105 HA LEU 105 -4.205 -12.803 1.857 863 HB2 LEU 105 1HB LEU 105 -4.080 -10.891 0.300 864 HB3 LEU 105 2HB LEU 105 -4.498 -11.959 -1.024 865 HG LEU 105 HG LEU 105 -6.607 -12.437 0.546 866 HD11 LEU 105 1HD1 LEU 105 -6.178 -11.064 2.367 867 HD12 LEU 105 2HD1 LEU 105 -7.296 -10.112 1.393 868 HD13 LEU 105 3HD1 LEU 105 -5.571 -9.750 1.360 869 HD21 LEU 105 3HD2 LEU 105 -6.814 -9.900 -0.954 870 HD22 LEU 105 1HD2 LEU 105 -7.797 -11.362 -1.046 871 HD23 LEU 105 2HD2 LEU 105 -6.228 -11.300 -1.849 872 H ASN 106 H ASN 106 -4.379 -15.078 2.179 873 HA ASN 106 HA ASN 106 -6.472 -16.273 0.679 874 HB2 ASN 106 1HB ASN 106 -4.463 -16.637 -0.835 875 HB3 ASN 106 2HB ASN 106 -3.825 -17.705 0.412 876 HD21 ASN 106 2HD2 ASN 106 -7.029 -17.203 -1.065 877 HD22 ASN 106 1HD2 ASN 106 -7.286 -18.867 -1.454 878 H PHE 107 H PHE 107 -6.002 -15.676 3.411 879 HA PHE 107 HA PHE 107 -6.282 -18.363 4.532 880 HB2 PHE 107 1HB PHE 107 -4.519 -16.219 5.732 881 HB3 PHE 107 2HB PHE 107 -4.876 -17.775 6.466 882 HD1 PHE 107 HD1 PHE 107 -4.436 -19.801 4.671 883 HD2 PHE 107 HD2 PHE 107 -2.439 -16.045 4.808 884 HE1 PHE 107 HE1 PHE 107 -2.512 -20.787 3.502 885 HE2 PHE 107 HE2 PHE 107 -0.509 -17.025 3.638 886 HZ PHE 107 HZ PHE 107 -0.544 -19.399 2.983 887 H LEU 108 H LEU 108 -7.877 -18.555 5.980 888 HA LEU 108 HA LEU 108 -9.778 -16.524 6.332 889 HB2 LEU 108 1HB LEU 108 -10.817 -18.025 7.976 890 HB3 LEU 108 2HB LEU 108 -10.396 -18.858 6.495 891 HG LEU 108 HG LEU 108 -8.339 -19.005 8.595 892 HD11 LEU 108 1HD1 LEU 108 -9.453 -20.107 10.212 893 HD12 LEU 108 2HD1 LEU 108 -10.580 -20.855 9.082 894 HD13 LEU 108 3HD1 LEU 108 -10.826 -19.187 9.598 895 HD21 LEU 108 3HD2 LEU 108 -9.469 -21.461 7.498 896 HD22 LEU 108 1HD2 LEU 108 -7.803 -20.881 7.509 897 HD23 LEU 108 2HD2 LEU 108 -8.921 -20.329 6.262 898 H GLN 109 H GLN 109 -9.990 -14.926 7.774 899 HA GLN 109 HA GLN 109 -9.628 -13.535 9.527 900 HB2 GLN 109 1HB GLN 109 -9.785 -15.927 10.703 901 HB3 GLN 109 2HB GLN 109 -8.107 -15.568 11.082 902 HG2 GLN 109 1HG GLN 109 -8.718 -13.591 12.259 903 HG3 GLN 109 2HG GLN 109 -10.387 -13.714 11.707 904 HE21 GLN 109 2HE2 GLN 109 -11.418 -13.922 13.625 905 HE22 GLN 109 1HE2 GLN 109 -11.161 -15.224 14.731 906 H GLU 110 H GLU 110 -8.050 -12.867 7.669 907 HA GLU 110 HA GLU 110 -5.260 -13.007 8.530 908 HB2 GLU 110 1HB GLU 110 -5.741 -13.460 6.157 909 HB3 GLU 110 2HB GLU 110 -6.452 -11.863 5.999 910 HG2 GLU 110 1HG GLU 110 -4.423 -11.283 5.253 911 HG3 GLU 110 2HG GLU 110 -4.020 -11.204 6.963 912 H SER 111 H SER 111 -4.140 -11.309 9.253 913 HA SER 111 HA SER 111 -5.291 -8.627 9.154 914 HB2 SER 111 1HB SER 111 -5.810 -9.946 11.373 915 HB3 SER 111 2HB SER 111 -4.131 -9.563 11.759 916 HG SER 111 HG SER 111 -4.634 -7.362 11.495 917 H TYR 112 H TYR 112 -3.539 -8.720 7.499 918 HA TYR 112 HA TYR 112 -0.891 -8.286 8.702 919 HB2 TYR 112 1HB TYR 112 -1.758 -9.814 6.400 920 HB3 TYR 112 2HB TYR 112 -0.578 -8.595 5.932 921 HD1 TYR 112 HD2 TYR 112 -1.042 -11.048 8.726 922 HD2 TYR 112 HD1 TYR 112 1.608 -9.293 5.898 923 HE1 TYR 112 HE2 TYR 112 0.772 -12.494 9.536 924 HE2 TYR 112 HE1 TYR 112 3.428 -10.734 6.701 925 HH TYR 112 HH TYR 112 3.618 -12.128 9.409 926 H GLU 113 H GLU 113 -0.276 -6.261 8.777 927 HA GLU 113 HA GLU 113 -0.792 -4.471 6.555 928 HB2 GLU 113 1HB GLU 113 -2.014 -2.850 7.740 929 HB3 GLU 113 2HB GLU 113 -2.765 -4.376 8.164 930 HG2 GLU 113 1HG GLU 113 -0.719 -2.993 9.880 931 HG3 GLU 113 2HG GLU 113 -2.460 -2.793 10.065 932 H VAL 114 H VAL 114 0.472 -2.539 6.595 933 HA VAL 114 HA VAL 114 2.566 -2.381 8.639 934 HB VAL 114 HB VAL 114 3.286 -2.257 5.715 935 HG11 VAL 114 1HG1 VAL 114 4.848 -2.360 8.281 936 HG12 VAL 114 2HG1 VAL 114 4.898 -1.138 7.010 937 HG13 VAL 114 3HG1 VAL 114 5.578 -2.739 6.721 938 HG21 VAL 114 3HG2 VAL 114 3.124 -4.617 7.532 939 HG22 VAL 114 1HG2 VAL 114 4.395 -4.542 6.313 940 HG23 VAL 114 2HG2 VAL 114 2.702 -4.476 5.825 941 H GLU 115 H GLU 115 3.617 -0.356 8.779 942 HA GLU 115 HA GLU 115 2.458 1.823 7.192 943 HB2 GLU 115 1HB GLU 115 2.716 1.759 10.201 944 HB3 GLU 115 2HB GLU 115 2.376 3.214 9.275 945 HG2 GLU 115 1HG GLU 115 0.271 2.427 8.600 946 HG3 GLU 115 2HG GLU 115 0.644 0.774 9.080 947 H HIS 116 H HIS 116 4.134 2.598 6.096 948 HA HIS 116 HA HIS 116 6.710 2.939 7.496 949 HB2 HIS 116 1HB HIS 116 6.007 2.020 4.791 950 HB3 HIS 116 2HB HIS 116 7.310 3.202 4.834 951 HD1 HIS 116 HD1 HIS 116 7.384 -0.008 4.232 952 HD2 HIS 116 HD2 HIS 116 8.788 2.013 7.580 953 HE1 HIS 116 HE1 HIS 116 9.134 -1.506 5.234 954 HE2 HIS 116 HE2 HIS 116 9.894 -0.311 7.318 955 H VAL 117 H VAL 117 7.856 4.879 7.252 956 HA VAL 117 HA VAL 117 6.264 7.134 6.206 957 HB VAL 117 HB VAL 117 8.290 7.282 8.441 958 HG11 VAL 117 1HG1 VAL 117 7.507 9.490 8.808 959 HG12 VAL 117 2HG1 VAL 117 6.162 9.274 7.690 960 HG13 VAL 117 3HG1 VAL 117 7.814 9.350 7.077 961 HG21 VAL 117 3HG2 VAL 117 6.306 7.543 9.925 962 HG22 VAL 117 1HG2 VAL 117 6.474 5.934 9.227 963 HG23 VAL 117 2HG2 VAL 117 5.288 7.060 8.568 964 H ILE 118 H ILE 118 7.253 8.642 4.924 965 HA ILE 118 HA ILE 118 10.093 8.185 4.264 966 HB ILE 118 HB ILE 118 7.983 9.064 2.289 967 HG12 ILE 118 1HG1 ILE 118 9.183 6.469 1.780 968 HG13 ILE 118 2HG1 ILE 118 8.339 6.488 3.323 969 HG21 ILE 118 1HG2 ILE 118 10.066 8.069 0.857 970 HG22 ILE 118 2HG2 ILE 118 10.902 8.801 2.227 971 HG23 ILE 118 3HG2 ILE 118 9.823 9.775 1.227 972 HD11 ILE 118 3HD1 ILE 118 6.674 7.755 1.422 973 HD12 ILE 118 1HD1 ILE 118 6.425 6.224 2.264 974 HD13 ILE 118 2HD1 ILE 118 7.267 6.253 0.714 975 H GLN 119 H GLN 119 11.297 9.885 4.791 976 HA GLN 119 HA GLN 119 10.153 12.577 4.462 977 HB2 GLN 119 1HB GLN 119 11.203 11.324 6.864 978 HB3 GLN 119 2HB GLN 119 12.068 12.804 6.475 979 HG2 GLN 119 1HG GLN 119 9.500 13.601 6.139 980 HG3 GLN 119 2HG GLN 119 9.327 12.413 7.430 981 HE21 GLN 119 2HE2 GLN 119 10.563 15.509 6.532 982 HE22 GLN 119 1HE2 GLN 119 11.052 16.010 8.112 983 H ILE 120 H ILE 120 11.224 13.638 2.942 984 HA ILE 120 HA ILE 120 14.146 13.305 2.778 985 HB ILE 120 HB ILE 120 12.390 13.712 0.358 986 HG12 ILE 120 1HG1 ILE 120 13.607 11.148 0.312 987 HG13 ILE 120 2HG1 ILE 120 12.809 11.312 1.873 988 HG21 ILE 120 1HG2 ILE 120 15.037 12.513 0.048 989 HG22 ILE 120 2HG2 ILE 120 15.065 14.156 0.684 990 HG23 ILE 120 3HG2 ILE 120 14.268 13.819 -0.851 991 HD11 ILE 120 3HD1 ILE 120 11.401 11.949 -0.691 992 HD12 ILE 120 1HD1 ILE 120 10.711 11.604 0.895 993 HD13 ILE 120 2HD1 ILE 120 11.470 10.312 -0.035 994 HA PRO 121 HA PRO 121 12.814 17.832 2.893 995 HB2 PRO 121 1HB PRO 121 13.392 18.484 5.419 996 HB3 PRO 121 2HB PRO 121 11.871 17.680 5.013 997 HG2 PRO 121 1HG PRO 121 14.391 16.503 6.129 998 HG3 PRO 121 2HG PRO 121 12.712 16.215 6.620 999 HD2 PRO 121 1HD PRO 121 14.118 14.550 4.964 1000 HD3 PRO 121 2HD PRO 121 12.351 14.705 4.941 1001 H LEU 122 H LEU 122 14.368 19.660 4.111 1002 HA LEU 122 HA LEU 122 16.994 19.175 2.937 1003 HB2 LEU 122 1HB LEU 122 15.473 21.603 3.786 1004 HB3 LEU 122 2HB LEU 122 17.222 21.693 3.694 1005 HG LEU 122 HG LEU 122 15.489 20.834 1.379 1006 HD11 LEU 122 1HD1 LEU 122 14.885 23.094 1.930 1007 HD12 LEU 122 2HD1 LEU 122 15.905 23.110 0.492 1008 HD13 LEU 122 3HD1 LEU 122 16.581 23.560 2.056 1009 HD21 LEU 122 3HD2 LEU 122 17.384 20.786 0.114 1010 HD22 LEU 122 1HD2 LEU 122 18.073 20.327 1.670 1011 HD23 LEU 122 2HD2 LEU 122 18.210 21.991 1.102 1012 H ASN 123 H ASN 123 16.815 17.586 5.050 1013 HA ASN 123 HA ASN 123 18.764 18.707 6.882 1014 HB2 ASN 123 1HB ASN 123 15.959 18.121 7.647 1015 HB3 ASN 123 2HB ASN 123 17.195 17.536 8.754 1016 HD21 ASN 123 2HD2 ASN 123 18.947 19.244 9.223 1017 HD22 ASN 123 1HD2 ASN 123 18.364 20.835 9.558 Start of MODEL 7 1 H1 MET 1 1H MET 1 16.891 26.622 6.064 2 H2 MET 1 2H MET 1 17.098 27.619 4.681 3 H3 MET 1 3H MET 1 17.221 25.913 4.538 4 HA MET 1 HA MET 1 14.891 25.781 5.306 5 HB2 MET 1 1HB MET 1 15.298 28.738 5.050 6 HB3 MET 1 2HB MET 1 13.719 28.061 4.675 7 HG2 MET 1 1HG MET 1 13.478 27.207 6.883 8 HG3 MET 1 2HG MET 1 15.149 27.602 7.280 9 HE1 MET 1 3HE MET 1 12.870 28.004 8.904 10 HE2 MET 1 1HE MET 1 11.840 29.424 8.717 11 HE3 MET 1 2HE MET 1 13.335 29.534 9.649 12 H VAL 2 H VAL 2 14.662 24.467 3.580 13 HA VAL 2 HA VAL 2 14.126 25.730 0.998 14 HB VAL 2 HB VAL 2 15.376 23.881 -0.168 15 HG11 VAL 2 1HG1 VAL 2 17.330 25.466 1.435 16 HG12 VAL 2 2HG1 VAL 2 16.189 26.302 0.383 17 HG13 VAL 2 3HG1 VAL 2 17.309 25.121 -0.293 18 HG21 VAL 2 3HG2 VAL 2 17.204 23.457 2.064 19 HG22 VAL 2 1HG2 VAL 2 16.515 22.298 0.929 20 HG23 VAL 2 2HG2 VAL 2 15.595 22.793 2.349 21 H ALA 3 H ALA 3 11.946 25.235 1.831 22 HA ALA 3 HA ALA 3 10.012 24.041 1.783 23 HB1 ALA 3 3HB ALA 3 10.896 23.576 -0.554 24 HB2 ALA 3 1HB ALA 3 9.704 22.443 0.081 25 HB3 ALA 3 2HB ALA 3 11.414 22.008 0.065 26 H THR 4 H THR 4 9.328 21.418 1.869 27 HA THR 4 HA THR 4 10.967 20.027 3.813 28 HB THR 4 HB THR 4 8.673 19.807 5.188 29 HG1 THR 4 HG1 THR 4 7.420 21.522 5.044 30 HG21 THR 4 3HG2 THR 4 11.082 21.205 5.580 31 HG22 THR 4 1HG2 THR 4 9.910 20.679 6.789 32 HG23 THR 4 2HG2 THR 4 9.771 22.280 6.066 33 H VAL 5 H VAL 5 10.335 17.834 4.131 34 HA VAL 5 HA VAL 5 8.327 16.847 2.217 35 HB VAL 5 HB VAL 5 10.935 15.451 2.836 36 HG11 VAL 5 1HG1 VAL 5 10.234 13.724 1.571 37 HG12 VAL 5 2HG1 VAL 5 9.375 14.763 0.436 38 HG13 VAL 5 3HG1 VAL 5 8.629 14.332 1.974 39 HG21 VAL 5 3HG2 VAL 5 10.473 16.446 0.109 40 HG22 VAL 5 1HG2 VAL 5 11.946 16.431 1.080 41 HG23 VAL 5 2HG2 VAL 5 10.743 17.697 1.321 42 H LYS 6 H LYS 6 6.749 15.817 3.219 43 HA LYS 6 HA LYS 6 7.354 14.134 5.544 44 HB2 LYS 6 1HB LYS 6 4.948 15.957 5.474 45 HB3 LYS 6 2HB LYS 6 5.530 14.993 6.824 46 HG2 LYS 6 1HG LYS 6 7.567 16.414 6.890 47 HG3 LYS 6 2HG LYS 6 6.844 17.429 5.640 48 HD2 LYS 6 1HD LYS 6 6.463 18.421 7.813 49 HD3 LYS 6 2HD LYS 6 4.930 17.863 7.140 50 HE2 LYS 6 1HE LYS 6 4.947 15.924 8.547 51 HE3 LYS 6 2HE LYS 6 6.585 16.274 9.096 52 HZ1 LYS 6 3HZ LYS 6 4.058 17.583 9.831 53 HZ2 LYS 6 1HZ LYS 6 5.494 18.479 9.892 54 HZ3 LYS 6 2HZ LYS 6 5.332 17.076 10.822 55 H ARG 7 H ARG 7 6.772 12.141 4.949 56 HA ARG 7 HA ARG 7 4.149 11.766 3.686 57 HB2 ARG 7 1HB ARG 7 6.744 10.566 2.722 58 HB3 ARG 7 2HB ARG 7 5.155 10.047 2.181 59 HG2 ARG 7 1HG ARG 7 4.746 12.086 1.088 60 HG3 ARG 7 2HG ARG 7 6.084 12.887 1.909 61 HD2 ARG 7 1HD ARG 7 6.488 12.258 -0.498 62 HD3 ARG 7 2HD ARG 7 7.694 11.698 0.658 63 HE ARG 7 HE ARG 7 5.995 9.595 0.467 64 HH11 ARG 7 1HH1 ARG 7 7.665 11.519 -1.920 65 HH12 ARG 7 2HH1 ARG 7 7.853 10.203 -3.026 66 HH21 ARG 7 1HH2 ARG 7 6.254 7.857 -0.992 67 HH22 ARG 7 2HH2 ARG 7 7.059 8.125 -2.501 68 H THR 8 H THR 8 3.508 9.420 3.650 69 HA THR 8 HA THR 8 4.724 7.574 5.432 70 HB THR 8 HB THR 8 3.798 9.072 7.130 71 HG1 THR 8 HG1 THR 8 2.315 6.662 6.922 72 HG21 THR 8 3HG2 THR 8 1.004 8.482 6.770 73 HG22 THR 8 1HG2 THR 8 1.647 9.405 5.413 74 HG23 THR 8 2HG2 THR 8 1.806 10.027 7.055 75 H ILE 9 H ILE 9 4.225 5.617 4.678 76 HA ILE 9 HA ILE 9 1.762 5.325 3.103 77 HB ILE 9 HB ILE 9 3.843 4.929 1.847 78 HG12 ILE 9 1HG1 ILE 9 2.416 2.299 2.193 79 HG13 ILE 9 2HG1 ILE 9 1.628 3.687 1.452 80 HG21 ILE 9 1HG2 ILE 9 5.113 4.032 3.824 81 HG22 ILE 9 2HG2 ILE 9 5.329 3.149 2.313 82 HG23 ILE 9 3HG2 ILE 9 4.272 2.502 3.568 83 HD11 ILE 9 3HD1 ILE 9 3.228 1.775 0.212 84 HD12 ILE 9 1HD1 ILE 9 4.197 3.247 0.257 85 HD13 ILE 9 2HD1 ILE 9 2.599 3.268 -0.486 86 H ARG 10 H ARG 10 0.173 4.232 4.020 87 HA ARG 10 HA ARG 10 0.853 2.111 5.949 88 HB2 ARG 10 1HB ARG 10 -1.542 3.955 6.043 89 HB3 ARG 10 2HB ARG 10 -1.177 2.677 7.194 90 HG2 ARG 10 1HG ARG 10 0.664 3.840 8.072 91 HG3 ARG 10 2HG ARG 10 0.710 4.959 6.708 92 HD2 ARG 10 1HD ARG 10 -0.219 5.956 8.784 93 HD3 ARG 10 2HD ARG 10 -1.330 6.003 7.417 94 HE ARG 10 HE ARG 10 -2.737 4.566 8.532 95 HH11 ARG 10 1HH1 ARG 10 0.317 4.747 10.236 96 HH12 ARG 10 2HH1 ARG 10 -0.263 3.886 11.621 97 HH21 ARG 10 1HH2 ARG 10 -3.498 3.439 10.368 98 HH22 ARG 10 2HH2 ARG 10 -2.427 3.147 11.697 99 H ILE 11 H ILE 11 0.415 0.204 5.057 100 HA ILE 11 HA ILE 11 -1.909 -0.031 3.263 101 HB ILE 11 HB ILE 11 -0.883 -2.076 2.391 102 HG12 ILE 11 1HG1 ILE 11 1.516 -1.412 4.113 103 HG13 ILE 11 2HG1 ILE 11 0.338 -2.656 4.518 104 HG21 ILE 11 1HG2 ILE 11 0.455 0.549 2.267 105 HG22 ILE 11 2HG2 ILE 11 -0.220 -0.449 0.978 106 HG23 ILE 11 3HG2 ILE 11 1.371 -0.821 1.640 107 HD11 ILE 11 3HD1 ILE 11 0.947 -3.963 2.643 108 HD12 ILE 11 1HD1 ILE 11 2.441 -3.468 3.440 109 HD13 ILE 11 2HD1 ILE 11 1.917 -2.655 1.967 110 H LYS 12 H LYS 12 -3.548 -1.438 3.700 111 HA LYS 12 HA LYS 12 -3.289 -3.093 6.126 112 HB2 LYS 12 1HB LYS 12 -5.458 -1.204 5.309 113 HB3 LYS 12 2HB LYS 12 -5.878 -2.628 6.250 114 HG2 LYS 12 1HG LYS 12 -5.568 -1.001 7.863 115 HG3 LYS 12 2HG LYS 12 -4.021 -1.848 7.856 116 HD2 LYS 12 1HD LYS 12 -3.101 0.183 7.626 117 HD3 LYS 12 2HD LYS 12 -3.649 0.098 5.952 118 HE2 LYS 12 1HE LYS 12 -4.304 2.203 7.034 119 HE3 LYS 12 2HE LYS 12 -5.700 1.253 6.534 120 HZ1 LYS 12 3HZ LYS 12 -5.484 2.331 8.934 121 HZ2 LYS 12 1HZ LYS 12 -4.750 0.841 9.259 122 HZ3 LYS 12 2HZ LYS 12 -6.330 0.894 8.657 123 H THR 13 H THR 13 -3.759 -5.180 5.890 124 HA THR 13 HA THR 13 -5.402 -6.026 3.599 125 HB THR 13 HB THR 13 -2.844 -7.340 4.541 126 HG1 THR 13 HG1 THR 13 -3.460 -5.755 2.283 127 HG21 THR 13 3HG2 THR 13 -3.892 -9.149 3.669 128 HG22 THR 13 1HG2 THR 13 -3.227 -8.464 2.187 129 HG23 THR 13 2HG2 THR 13 -4.917 -8.187 2.606 130 H GLN 14 H GLN 14 -7.069 -7.263 4.189 131 HA GLN 14 HA GLN 14 -6.816 -8.996 6.539 132 HB2 GLN 14 1HB GLN 14 -7.890 -6.910 7.293 133 HB3 GLN 14 2HB GLN 14 -9.132 -7.111 6.067 134 HG2 GLN 14 1HG GLN 14 -9.058 -9.502 7.558 135 HG3 GLN 14 2HG GLN 14 -9.023 -8.169 8.709 136 HE21 GLN 14 2HE2 GLN 14 -10.830 -9.700 6.145 137 HE22 GLN 14 1HE2 GLN 14 -12.341 -8.934 6.487 138 H GLN 15 H GLN 15 -8.011 -10.899 6.452 139 HA GLN 15 HA GLN 15 -9.759 -11.287 4.122 140 HB2 GLN 15 1HB GLN 15 -7.655 -12.163 3.384 141 HB3 GLN 15 2HB GLN 15 -7.422 -13.036 4.893 142 HG2 GLN 15 1HG GLN 15 -8.402 -14.819 4.026 143 HG3 GLN 15 2HG GLN 15 -9.876 -13.896 3.754 144 HE21 GLN 15 2HE2 GLN 15 -6.637 -13.812 2.296 145 HE22 GLN 15 1HE2 GLN 15 -7.185 -14.007 0.668 146 H HIS 16 H HIS 16 -11.435 -12.760 4.396 147 HA HIS 16 HA HIS 16 -11.579 -14.196 6.951 148 HB2 HIS 16 1HB HIS 16 -12.738 -12.056 7.306 149 HB3 HIS 16 2HB HIS 16 -13.767 -12.382 5.914 150 HD1 HIS 16 HD1 HIS 16 -12.906 -14.862 8.643 151 HD2 HIS 16 HD2 HIS 16 -16.158 -12.718 7.198 152 HE1 HIS 16 HE1 HIS 16 -14.899 -15.736 9.902 153 HE2 HIS 16 HE2 HIS 16 -16.868 -14.488 8.944 154 H ILE 17 H ILE 17 -12.018 -16.265 6.530 155 HA ILE 17 HA ILE 17 -13.715 -16.886 4.194 156 HB ILE 17 HB ILE 17 -11.727 -18.832 5.331 157 HG12 ILE 17 1HG1 ILE 17 -11.168 -16.869 3.095 158 HG13 ILE 17 2HG1 ILE 17 -10.518 -16.735 4.724 159 HG21 ILE 17 1HG2 ILE 17 -13.625 -18.816 3.177 160 HG22 ILE 17 2HG2 ILE 17 -12.649 -20.145 3.802 161 HG23 ILE 17 3HG2 ILE 17 -11.998 -19.086 2.553 162 HD11 ILE 17 3HD1 ILE 17 -8.862 -17.670 3.260 163 HD12 ILE 17 1HD1 ILE 17 -9.975 -18.940 2.753 164 HD13 ILE 17 2HD1 ILE 17 -9.384 -18.898 4.413 165 H LEU 18 H LEU 18 -15.690 -17.401 4.924 166 HA LEU 18 HA LEU 18 -16.126 -19.685 6.529 167 HB2 LEU 18 1HB LEU 18 -15.431 -17.694 8.143 168 HB3 LEU 18 2HB LEU 18 -17.123 -17.273 7.964 169 HG LEU 18 HG LEU 18 -17.622 -19.691 8.669 170 HD11 LEU 18 1HD1 LEU 18 -15.056 -20.188 8.374 171 HD12 LEU 18 2HD1 LEU 18 -16.003 -20.992 9.625 172 HD13 LEU 18 3HD1 LEU 18 -14.982 -19.615 10.041 173 HD21 LEU 18 3HD2 LEU 18 -17.928 -18.983 10.816 174 HD22 LEU 18 1HD2 LEU 18 -17.645 -17.427 10.035 175 HD23 LEU 18 2HD2 LEU 18 -16.340 -18.222 10.912 176 HA PRO 19 HA PRO 19 -19.681 -18.617 3.859 177 HB2 PRO 19 1HB PRO 19 -20.111 -21.511 3.826 178 HB3 PRO 19 2HB PRO 19 -19.794 -20.413 2.482 179 HG2 PRO 19 1HG PRO 19 -17.980 -22.229 3.336 180 HG3 PRO 19 2HG PRO 19 -17.519 -20.667 2.636 181 HD2 PRO 19 1HD PRO 19 -17.608 -21.503 5.510 182 HD3 PRO 19 2HD PRO 19 -16.404 -20.513 4.659 183 H GLU 20 H GLU 20 -19.879 -21.380 6.128 184 HA GLU 20 HA GLU 20 -21.313 -21.870 7.821 185 HB2 GLU 20 1HB GLU 20 -21.080 -19.176 8.022 186 HB3 GLU 20 2HB GLU 20 -22.809 -19.324 7.740 187 HG2 GLU 20 1HG GLU 20 -21.641 -21.126 9.769 188 HG3 GLU 20 2HG GLU 20 -21.700 -19.411 10.167 189 H VAL 21 H VAL 21 -22.233 -21.351 4.705 190 HA VAL 21 HA VAL 21 -24.957 -22.328 5.227 191 HB VAL 21 HB VAL 21 -25.061 -20.025 4.396 192 HG11 VAL 21 1HG1 VAL 21 -23.718 -21.016 1.889 193 HG12 VAL 21 2HG1 VAL 21 -22.903 -20.094 3.152 194 HG13 VAL 21 3HG1 VAL 21 -24.235 -19.368 2.251 195 HG21 VAL 21 3HG2 VAL 21 -26.902 -21.391 3.782 196 HG22 VAL 21 1HG2 VAL 21 -25.990 -22.152 2.478 197 HG23 VAL 21 2HG2 VAL 21 -26.462 -20.458 2.353 198 HA PRO 22 HA PRO 22 -23.762 -25.926 2.914 199 HB2 PRO 22 1HB PRO 22 -26.246 -26.515 1.826 200 HB3 PRO 22 2HB PRO 22 -25.695 -27.010 3.429 201 HG2 PRO 22 1HG PRO 22 -27.424 -24.702 2.646 202 HG3 PRO 22 2HG PRO 22 -27.559 -25.783 4.046 203 HD2 PRO 22 1HD PRO 22 -26.562 -23.312 4.292 204 HD3 PRO 22 2HD PRO 22 -25.897 -24.670 5.224 205 HA PRO 23 HA PRO 23 -23.017 -24.341 -1.174 206 HB2 PRO 23 1HB PRO 23 -22.202 -26.647 -2.368 207 HB3 PRO 23 2HB PRO 23 -21.188 -25.717 -1.258 208 HG2 PRO 23 1HG PRO 23 -22.826 -28.164 -0.727 209 HG3 PRO 23 2HG PRO 23 -21.187 -27.772 -0.177 210 HD2 PRO 23 1HD PRO 23 -23.352 -27.495 1.418 211 HD3 PRO 23 2HD PRO 23 -21.946 -26.418 1.530 212 H VAL 24 H VAL 24 -24.738 -23.770 -2.346 213 HA VAL 24 HA VAL 24 -26.139 -25.831 -3.851 214 HB VAL 24 HB VAL 24 -28.362 -24.746 -3.375 215 HG11 VAL 24 1HG1 VAL 24 -27.344 -26.885 -2.320 216 HG12 VAL 24 2HG1 VAL 24 -28.816 -26.196 -1.639 217 HG13 VAL 24 3HG1 VAL 24 -27.263 -25.910 -0.853 218 HG21 VAL 24 3HG2 VAL 24 -28.092 -22.730 -2.357 219 HG22 VAL 24 1HG2 VAL 24 -26.663 -23.244 -1.460 220 HG23 VAL 24 2HG2 VAL 24 -28.268 -23.731 -0.918 221 H GLU 25 H GLU 25 -25.902 -22.337 -3.207 222 HA GLU 25 HA GLU 25 -26.030 -21.891 -6.110 223 HB2 GLU 25 1HB GLU 25 -27.169 -19.691 -5.570 224 HB3 GLU 25 2HB GLU 25 -28.140 -21.137 -5.341 225 HG2 GLU 25 1HG GLU 25 -27.310 -20.958 -2.871 226 HG3 GLU 25 2HG GLU 25 -26.991 -19.282 -3.307 227 H ASN 26 H ASN 26 -25.103 -20.375 -3.012 228 HA ASN 26 HA ASN 26 -23.191 -18.665 -4.347 229 HB2 ASN 26 1HB ASN 26 -22.766 -17.732 -2.147 230 HB3 ASN 26 2HB ASN 26 -24.499 -17.858 -2.414 231 HD21 ASN 26 2HD2 ASN 26 -21.762 -19.123 -0.680 232 HD22 ASN 26 1HD2 ASN 26 -22.663 -19.981 0.515 233 H PHE 27 H PHE 27 -23.098 -21.479 -2.187 234 HA PHE 27 HA PHE 27 -21.474 -23.002 -1.734 235 HB2 PHE 27 1HB PHE 27 -20.633 -21.911 -4.370 236 HB3 PHE 27 2HB PHE 27 -19.429 -22.826 -3.470 237 HD1 PHE 27 HD2 PHE 27 -23.074 -23.146 -4.254 238 HD2 PHE 27 HD1 PHE 27 -19.261 -25.031 -4.062 239 HE1 PHE 27 HE2 PHE 27 -24.073 -25.245 -5.061 240 HE2 PHE 27 HE1 PHE 27 -20.256 -27.131 -4.869 241 HZ PHE 27 HZ PHE 27 -22.665 -27.240 -5.368 242 HA PRO 28 HA PRO 28 -18.359 -21.394 0.933 243 HB2 PRO 28 1HB PRO 28 -16.284 -22.887 -0.612 244 HB3 PRO 28 2HB PRO 28 -16.597 -22.870 1.129 245 HG2 PRO 28 1HG PRO 28 -17.361 -24.936 -0.360 246 HG3 PRO 28 2HG PRO 28 -18.390 -24.336 0.954 247 HD2 PRO 28 1HD PRO 28 -18.682 -23.997 -1.994 248 HD3 PRO 28 2HD PRO 28 -19.932 -24.175 -0.747 249 H VAL 29 H VAL 29 -17.317 -19.497 1.025 250 HA VAL 29 HA VAL 29 -15.714 -18.597 -1.250 251 HB VAL 29 HB VAL 29 -16.807 -16.270 -0.898 252 HG11 VAL 29 1HG1 VAL 29 -16.944 -17.578 -2.961 253 HG12 VAL 29 2HG1 VAL 29 -18.465 -16.752 -2.626 254 HG13 VAL 29 3HG1 VAL 29 -18.310 -18.479 -2.303 255 HG21 VAL 29 3HG2 VAL 29 -18.154 -16.731 1.024 256 HG22 VAL 29 1HG2 VAL 29 -18.933 -18.093 0.218 257 HG23 VAL 29 2HG2 VAL 29 -19.236 -16.449 -0.340 258 H ARG 30 H ARG 30 -14.753 -16.315 -0.660 259 HA ARG 30 HA ARG 30 -14.046 -16.182 2.179 260 HB2 ARG 30 1HB ARG 30 -11.636 -15.688 1.398 261 HB3 ARG 30 2HB ARG 30 -12.169 -17.360 1.438 262 HG2 ARG 30 1HG ARG 30 -12.787 -16.426 -1.130 263 HG3 ARG 30 2HG ARG 30 -11.176 -15.812 -0.759 264 HD2 ARG 30 1HD ARG 30 -10.586 -17.846 -1.574 265 HD3 ARG 30 2HD ARG 30 -10.857 -18.307 0.107 266 HE ARG 30 HE ARG 30 -13.284 -18.676 -1.017 267 HH11 ARG 30 1HH1 ARG 30 -10.078 -19.773 -1.908 268 HH12 ARG 30 2HH1 ARG 30 -10.650 -21.225 -2.656 269 HH21 ARG 30 1HH2 ARG 30 -14.028 -20.597 -2.000 270 HH22 ARG 30 2HH2 ARG 30 -12.890 -21.692 -2.708 271 H GLN 31 H GLN 31 -12.899 -14.119 2.715 272 HA GLN 31 HA GLN 31 -13.796 -11.928 0.963 273 HB2 GLN 31 1HB GLN 31 -14.941 -12.411 3.315 274 HB3 GLN 31 2HB GLN 31 -13.563 -11.489 3.900 275 HG2 GLN 31 1HG GLN 31 -14.192 -9.592 2.584 276 HG3 GLN 31 2HG GLN 31 -15.461 -10.513 1.780 277 HE21 GLN 31 2HE2 GLN 31 -16.878 -11.684 3.631 278 HE22 GLN 31 1HE2 GLN 31 -17.514 -10.567 4.784 279 H TRP 32 H TRP 32 -12.478 -10.073 0.863 280 HA TRP 32 HA TRP 32 -9.910 -10.120 2.228 281 HB2 TRP 32 1HB TRP 32 -8.694 -9.757 0.045 282 HB3 TRP 32 2HB TRP 32 -9.319 -11.383 0.289 283 HD1 TRP 32 HD1 TRP 32 -11.737 -11.897 -1.050 284 HE1 TRP 32 HE1 TRP 32 -12.455 -11.116 -3.393 285 HE3 TRP 32 HE3 TRP 32 -8.484 -7.994 -1.641 286 HZ2 TRP 32 HZ2 TRP 32 -11.736 -9.114 -5.251 287 HZ3 TRP 32 HZ3 TRP 32 -8.565 -6.699 -3.731 288 HH2 TRP 32 HH2 TRP 32 -10.157 -7.249 -5.497 289 H SER 33 H SER 33 -9.026 -8.138 2.537 290 HA SER 33 HA SER 33 -10.328 -5.831 1.261 291 HB2 SER 33 1HB SER 33 -11.230 -6.029 3.518 292 HB3 SER 33 2HB SER 33 -9.605 -6.121 4.190 293 HG SER 33 HG SER 33 -9.529 -4.030 4.158 294 H ILE 34 H ILE 34 -8.859 -4.714 0.141 295 HA ILE 34 HA ILE 34 -6.119 -4.535 1.216 296 HB ILE 34 HB ILE 34 -6.796 -4.617 -1.725 297 HG12 ILE 34 1HG1 ILE 34 -7.279 -6.793 -0.654 298 HG13 ILE 34 2HG1 ILE 34 -5.906 -6.890 -1.751 299 HG21 ILE 34 1HG2 ILE 34 -4.241 -4.500 -0.161 300 HG22 ILE 34 2HG2 ILE 34 -4.782 -3.468 -1.485 301 HG23 ILE 34 3HG2 ILE 34 -4.282 -5.127 -1.810 302 HD11 ILE 34 3HD1 ILE 34 -4.637 -6.376 0.570 303 HD12 ILE 34 1HD1 ILE 34 -4.968 -7.997 -0.043 304 HD13 ILE 34 2HD1 ILE 34 -6.037 -7.272 1.156 305 H GLU 35 H GLU 35 -5.390 -2.537 1.524 306 HA GLU 35 HA GLU 35 -6.339 -0.330 -0.128 307 HB2 GLU 35 1HB GLU 35 -6.874 1.056 1.851 308 HB3 GLU 35 2HB GLU 35 -7.944 -0.329 1.687 309 HG2 GLU 35 1HG GLU 35 -7.309 -1.201 3.640 310 HG3 GLU 35 2HG GLU 35 -5.606 -0.853 3.349 311 H ILE 36 H ILE 36 -5.027 1.619 0.111 312 HA ILE 36 HA ILE 36 -2.594 1.448 1.664 313 HB ILE 36 HB ILE 36 -1.894 0.164 -0.256 314 HG12 ILE 36 1HG1 ILE 36 -0.773 2.973 -0.410 315 HG13 ILE 36 2HG1 ILE 36 -0.264 1.734 0.732 316 HG21 ILE 36 1HG2 ILE 36 -3.570 0.994 -1.846 317 HG22 ILE 36 2HG2 ILE 36 -1.941 1.025 -2.520 318 HG23 ILE 36 3HG2 ILE 36 -2.692 2.521 -1.958 319 HD11 ILE 36 3HD1 ILE 36 0.131 1.802 -2.237 320 HD12 ILE 36 1HD1 ILE 36 0.345 0.333 -1.286 321 HD13 ILE 36 2HD1 ILE 36 1.350 1.745 -0.965 322 H VAL 37 H VAL 37 -2.016 3.396 2.339 323 HA VAL 37 HA VAL 37 -2.998 5.760 0.866 324 HB VAL 37 HB VAL 37 -2.532 5.606 3.849 325 HG11 VAL 37 1HG1 VAL 37 -2.377 7.844 3.350 326 HG12 VAL 37 2HG1 VAL 37 -4.113 7.689 3.616 327 HG13 VAL 37 3HG1 VAL 37 -3.474 7.725 1.974 328 HG21 VAL 37 3HG2 VAL 37 -4.910 4.959 2.205 329 HG22 VAL 37 1HG2 VAL 37 -5.183 5.890 3.677 330 HG23 VAL 37 2HG2 VAL 37 -4.399 4.312 3.764 331 H LEU 38 H LEU 38 -1.620 7.578 0.746 332 HA LEU 38 HA LEU 38 0.992 7.540 1.946 333 HB2 LEU 38 1HB LEU 38 1.394 6.012 0.114 334 HB3 LEU 38 2HB LEU 38 0.704 7.145 -1.030 335 HG LEU 38 HG LEU 38 2.876 8.404 0.376 336 HD11 LEU 38 1HD1 LEU 38 4.535 6.788 -0.961 337 HD12 LEU 38 2HD1 LEU 38 3.305 5.615 -0.495 338 HD13 LEU 38 3HD1 LEU 38 4.131 6.564 0.740 339 HD21 LEU 38 3HD2 LEU 38 2.374 9.347 -1.650 340 HD22 LEU 38 1HD2 LEU 38 2.076 7.793 -2.428 341 HD23 LEU 38 2HD2 LEU 38 3.729 8.320 -2.111 342 H LEU 39 H LEU 39 2.027 9.531 1.876 343 HA LEU 39 HA LEU 39 0.392 11.743 0.843 344 HB2 LEU 39 1HB LEU 39 1.542 11.339 3.330 345 HB3 LEU 39 2HB LEU 39 2.641 12.466 2.558 346 HG LEU 39 HG LEU 39 0.832 14.051 2.200 347 HD11 LEU 39 1HD1 LEU 39 -0.865 11.830 3.284 348 HD12 LEU 39 2HD1 LEU 39 -1.081 12.780 1.813 349 HD13 LEU 39 3HD1 LEU 39 -1.381 13.515 3.389 350 HD21 LEU 39 3HD2 LEU 39 0.164 14.324 4.693 351 HD22 LEU 39 1HD2 LEU 39 1.858 14.477 4.228 352 HD23 LEU 39 2HD2 LEU 39 1.275 12.981 4.957 353 H ASP 40 H ASP 40 1.597 13.673 0.063 354 HA ASP 40 HA ASP 40 4.276 13.502 -0.833 355 HB2 ASP 40 1HB ASP 40 2.291 12.297 -2.557 356 HB3 ASP 40 2HB ASP 40 3.043 13.672 -3.359 357 H ASP 41 H ASP 41 1.085 14.872 -1.567 358 HA ASP 41 HA ASP 41 2.124 17.377 -2.480 359 HB2 ASP 41 1HB ASP 41 -0.253 18.091 -2.458 360 HB3 ASP 41 2HB ASP 41 0.003 16.584 -3.333 361 H GLU 42 H GLU 42 2.098 16.163 0.589 362 HA GLU 42 HA GLU 42 1.183 18.532 1.966 363 HB2 GLU 42 1HB GLU 42 1.555 15.847 2.688 364 HB3 GLU 42 2HB GLU 42 2.750 16.745 3.614 365 HG2 GLU 42 1HG GLU 42 0.081 17.942 3.600 366 HG3 GLU 42 2HG GLU 42 0.171 16.355 4.360 367 H GLY 43 H GLY 43 4.239 17.070 1.017 368 HA2 GLY 43 1HA GLY 43 5.617 19.434 2.116 369 HA3 GLY 43 2HA GLY 43 6.356 17.844 2.022 370 H LYS 44 H LYS 44 5.996 16.972 -0.436 371 HA LYS 44 HA LYS 44 6.391 18.974 -2.446 372 HB2 LYS 44 1HB LYS 44 8.625 18.711 -1.138 373 HB3 LYS 44 2HB LYS 44 8.765 17.191 -2.009 374 HG2 LYS 44 1HG LYS 44 8.932 18.247 -4.074 375 HG3 LYS 44 2HG LYS 44 8.260 19.758 -3.458 376 HD2 LYS 44 1HD LYS 44 10.240 20.371 -2.427 377 HD3 LYS 44 2HD LYS 44 10.834 18.710 -2.350 378 HE2 LYS 44 1HE LYS 44 10.845 18.852 -4.936 379 HE3 LYS 44 2HE LYS 44 10.779 20.595 -4.679 380 HZ1 LYS 44 3HZ LYS 44 13.010 20.326 -4.692 381 HZ2 LYS 44 1HZ LYS 44 12.951 18.720 -4.166 382 HZ3 LYS 44 2HZ LYS 44 12.767 19.981 -3.054 383 H GLU 45 H GLU 45 5.261 18.142 -4.065 384 HA GLU 45 HA GLU 45 5.233 15.242 -4.466 385 HB2 GLU 45 1HB GLU 45 3.103 16.657 -4.286 386 HB3 GLU 45 2HB GLU 45 3.499 17.252 -5.894 387 HG2 GLU 45 1HG GLU 45 3.565 14.818 -6.610 388 HG3 GLU 45 2HG GLU 45 2.807 14.454 -5.062 389 H ILE 46 H ILE 46 7.597 16.636 -5.194 390 HA ILE 46 HA ILE 46 7.531 16.375 -8.131 391 HB ILE 46 HB ILE 46 9.413 18.145 -6.563 392 HG12 ILE 46 1HG1 ILE 46 7.816 19.757 -8.182 393 HG13 ILE 46 2HG1 ILE 46 6.685 18.611 -7.470 394 HG21 ILE 46 1HG2 ILE 46 8.877 18.124 -9.523 395 HG22 ILE 46 2HG2 ILE 46 10.185 17.215 -8.767 396 HG23 ILE 46 3HG2 ILE 46 10.156 18.974 -8.658 397 HD11 ILE 46 3HD1 ILE 46 7.412 20.917 -6.313 398 HD12 ILE 46 1HD1 ILE 46 8.612 19.832 -5.613 399 HD13 ILE 46 2HD1 ILE 46 6.893 19.490 -5.413 400 HA PRO 47 HA PRO 47 10.507 13.129 -7.403 401 HB2 PRO 47 1HB PRO 47 11.241 12.681 -9.961 402 HB3 PRO 47 2HB PRO 47 9.659 12.198 -9.337 403 HG2 PRO 47 1HG PRO 47 10.404 14.614 -10.945 404 HG3 PRO 47 2HG PRO 47 9.017 13.527 -11.141 405 HD2 PRO 47 1HD PRO 47 8.841 15.932 -9.895 406 HD3 PRO 47 2HD PRO 47 7.823 14.546 -9.458 407 H ALA 48 H ALA 48 12.792 12.604 -8.596 408 HA ALA 48 HA ALA 48 14.428 14.871 -9.179 409 HB1 ALA 48 3HB ALA 48 14.071 14.285 -6.443 410 HB2 ALA 48 1HB ALA 48 15.179 15.444 -7.175 411 HB3 ALA 48 2HB ALA 48 15.709 13.790 -6.868 412 H THR 49 H THR 49 14.424 11.513 -7.997 413 HA THR 49 HA THR 49 16.463 10.894 -10.024 414 HB THR 49 HB THR 49 16.431 9.338 -7.468 415 HG1 THR 49 HG1 THR 49 17.627 11.885 -7.802 416 HG21 THR 49 3HG2 THR 49 18.594 8.784 -7.946 417 HG22 THR 49 1HG2 THR 49 18.878 10.246 -8.890 418 HG23 THR 49 2HG2 THR 49 17.921 8.927 -9.570 419 H ILE 50 H ILE 50 14.397 9.110 -7.701 420 HA ILE 50 HA ILE 50 13.487 7.472 -9.970 421 HB ILE 50 HB ILE 50 13.620 6.593 -7.081 422 HG12 ILE 50 1HG1 ILE 50 15.869 6.855 -7.978 423 HG13 ILE 50 2HG1 ILE 50 15.483 5.146 -7.818 424 HG21 ILE 50 1HG2 ILE 50 12.780 4.557 -7.723 425 HG22 ILE 50 2HG2 ILE 50 13.318 4.737 -9.393 426 HG23 ILE 50 3HG2 ILE 50 11.906 5.626 -8.820 427 HD11 ILE 50 3HD1 ILE 50 16.569 5.325 -9.870 428 HD12 ILE 50 1HD1 ILE 50 15.696 6.794 -10.308 429 HD13 ILE 50 2HD1 ILE 50 14.859 5.241 -10.291 430 H PHE 51 H PHE 51 12.106 7.530 -6.695 431 HA PHE 51 HA PHE 51 10.010 7.974 -5.941 432 HB2 PHE 51 1HB PHE 51 10.589 10.271 -6.416 433 HB3 PHE 51 2HB PHE 51 10.177 10.068 -8.112 434 HD1 PHE 51 HD1 PHE 51 8.517 9.536 -4.799 435 HD2 PHE 51 HD2 PHE 51 8.215 11.043 -8.767 436 HE1 PHE 51 HE1 PHE 51 6.231 10.323 -4.324 437 HE2 PHE 51 HE2 PHE 51 5.932 11.828 -8.298 438 HZ PHE 51 HZ PHE 51 4.939 11.471 -6.075 439 H ASP 52 H ASP 52 8.911 6.104 -6.374 440 HA ASP 52 HA ASP 52 6.783 6.201 -8.224 441 HB2 ASP 52 1HB ASP 52 8.836 5.647 -9.703 442 HB3 ASP 52 2HB ASP 52 8.770 4.057 -8.944 443 H LYS 53 H LYS 53 5.290 5.345 -6.927 444 HA LYS 53 HA LYS 53 6.001 2.997 -5.313 445 HB2 LYS 53 1HB LYS 53 3.677 4.911 -5.066 446 HB3 LYS 53 2HB LYS 53 3.953 3.524 -4.028 447 HG2 LYS 53 1HG LYS 53 5.229 4.742 -2.708 448 HG3 LYS 53 2HG LYS 53 6.323 5.077 -4.052 449 HD2 LYS 53 1HD LYS 53 3.780 6.621 -3.844 450 HD3 LYS 53 2HD LYS 53 5.113 7.025 -2.759 451 HE2 LYS 53 1HE LYS 53 6.303 7.984 -4.395 452 HE3 LYS 53 2HE LYS 53 5.942 6.692 -5.537 453 HZ1 LYS 53 3HZ LYS 53 4.324 9.092 -4.927 454 HZ2 LYS 53 1HZ LYS 53 3.675 7.749 -5.725 455 HZ3 LYS 53 2HZ LYS 53 4.958 8.607 -6.416 456 H VAL 54 H VAL 54 5.222 1.051 -5.812 457 HA VAL 54 HA VAL 54 2.891 0.894 -7.607 458 HB VAL 54 HB VAL 54 3.930 -1.197 -8.558 459 HG11 VAL 54 1HG1 VAL 54 4.989 -0.029 -10.251 460 HG12 VAL 54 2HG1 VAL 54 5.677 1.160 -9.143 461 HG13 VAL 54 3HG1 VAL 54 3.957 1.206 -9.529 462 HG21 VAL 54 3HG2 VAL 54 5.754 -0.917 -6.530 463 HG22 VAL 54 1HG2 VAL 54 6.644 -0.310 -7.927 464 HG23 VAL 54 2HG2 VAL 54 5.958 -1.935 -7.955 465 H ILE 55 H ILE 55 1.403 -0.693 -7.234 466 HA ILE 55 HA ILE 55 1.845 -2.431 -4.895 467 HB ILE 55 HB ILE 55 -0.841 -1.245 -5.562 468 HG12 ILE 55 1HG1 ILE 55 -0.061 0.057 -3.286 469 HG13 ILE 55 2HG1 ILE 55 1.447 0.001 -4.189 470 HG21 ILE 55 1HG2 ILE 55 -1.354 -2.924 -4.145 471 HG22 ILE 55 2HG2 ILE 55 -0.880 -1.742 -2.923 472 HG23 ILE 55 3HG2 ILE 55 0.266 -2.978 -3.447 473 HD11 ILE 55 3HD1 ILE 55 0.226 2.054 -4.618 474 HD12 ILE 55 1HD1 ILE 55 -1.159 1.124 -5.184 475 HD13 ILE 55 2HD1 ILE 55 0.358 1.079 -6.081 476 H TYR 56 H TYR 56 0.788 -4.440 -4.913 477 HA TYR 56 HA TYR 56 -0.556 -5.241 -7.384 478 HB2 TYR 56 1HB TYR 56 2.105 -5.843 -6.992 479 HB3 TYR 56 2HB TYR 56 1.295 -7.289 -6.398 480 HD1 TYR 56 HD1 TYR 56 -0.450 -8.376 -7.956 481 HD2 TYR 56 HD2 TYR 56 2.437 -5.544 -9.280 482 HE1 TYR 56 HE1 TYR 56 -0.755 -9.155 -10.266 483 HE2 TYR 56 HE2 TYR 56 2.140 -6.315 -11.594 484 HH TYR 56 HH TYR 56 -0.176 -7.690 -12.794 485 H HIS 57 H HIS 57 -2.037 -6.888 -7.152 486 HA HIS 57 HA HIS 57 -2.309 -8.129 -4.522 487 HB2 HIS 57 1HB HIS 57 -4.862 -7.702 -4.768 488 HB3 HIS 57 2HB HIS 57 -3.836 -6.417 -4.147 489 HD1 HIS 57 HD1 HIS 57 -5.611 -4.671 -4.902 490 HD2 HIS 57 HD2 HIS 57 -3.936 -6.860 -8.013 491 HE1 HIS 57 HE1 HIS 57 -6.257 -3.455 -7.004 492 HE2 HIS 57 HE2 HIS 57 -5.191 -4.768 -8.873 493 H LEU 58 H LEU 58 -2.467 -10.242 -4.770 494 HA LEU 58 HA LEU 58 -2.999 -12.292 -5.568 495 HB2 LEU 58 1HB LEU 58 -4.994 -10.815 -7.291 496 HB3 LEU 58 2HB LEU 58 -4.944 -12.550 -7.057 497 HG LEU 58 HG LEU 58 -5.222 -11.926 -4.519 498 HD11 LEU 58 1HD1 LEU 58 -6.939 -9.888 -4.645 499 HD12 LEU 58 2HD1 LEU 58 -5.842 -9.404 -5.939 500 HD13 LEU 58 3HD1 LEU 58 -5.221 -9.670 -4.310 501 HD21 LEU 58 3HD2 LEU 58 -6.854 -12.952 -6.385 502 HD22 LEU 58 1HD2 LEU 58 -7.737 -11.477 -5.997 503 HD23 LEU 58 2HD2 LEU 58 -7.357 -12.636 -4.724 504 H HIS 59 H HIS 59 -3.419 -13.423 -7.927 505 HA HIS 59 HA HIS 59 -0.981 -13.380 -9.227 506 HB2 HIS 59 1HB HIS 59 -2.169 -14.601 -11.078 507 HB3 HIS 59 2HB HIS 59 -2.429 -15.270 -9.472 508 HD1 HIS 59 HD1 HIS 59 -4.530 -16.287 -11.015 509 HD2 HIS 59 HD2 HIS 59 -4.735 -12.329 -9.771 510 HE1 HIS 59 HE1 HIS 59 -6.959 -15.656 -11.175 511 HE2 HIS 59 HE2 HIS 59 -7.055 -13.244 -10.448 512 HA PRO 60 HA PRO 60 -0.934 -9.967 -12.040 513 HB2 PRO 60 1HB PRO 60 0.149 -11.672 -14.169 514 HB3 PRO 60 2HB PRO 60 0.900 -10.327 -13.309 515 HG2 PRO 60 1HG PRO 60 1.674 -12.874 -12.916 516 HG3 PRO 60 2HG PRO 60 1.686 -11.675 -11.611 517 HD2 PRO 60 1HD PRO 60 -0.322 -13.828 -12.188 518 HD3 PRO 60 2HD PRO 60 0.362 -13.313 -10.631 519 H THR 61 H THR 61 -2.922 -12.617 -12.638 520 HA THR 61 HA THR 61 -3.777 -12.184 -15.273 521 HB THR 61 HB THR 61 -5.731 -13.111 -13.213 522 HG1 THR 61 HG1 THR 61 -3.430 -14.575 -13.997 523 HG21 THR 61 3HG2 THR 61 -6.491 -14.569 -14.813 524 HG22 THR 61 1HG2 THR 61 -4.961 -14.575 -15.693 525 HG23 THR 61 2HG2 THR 61 -6.026 -13.172 -15.782 526 H PHE 62 H PHE 62 -4.105 -10.141 -12.604 527 HA PHE 62 HA PHE 62 -6.667 -9.040 -12.958 528 HB2 PHE 62 1HB PHE 62 -4.556 -8.638 -11.229 529 HB3 PHE 62 2HB PHE 62 -4.588 -7.135 -12.140 530 HD1 PHE 62 HD2 PHE 62 -7.052 -6.122 -12.418 531 HD2 PHE 62 HD1 PHE 62 -5.792 -8.741 -9.307 532 HE1 PHE 62 HE2 PHE 62 -8.878 -5.300 -10.988 533 HE2 PHE 62 HE1 PHE 62 -7.616 -7.921 -7.874 534 HZ PHE 62 HZ PHE 62 -9.161 -6.198 -8.713 535 H ALA 63 H ALA 63 -7.429 -7.327 -14.181 536 HA ALA 63 HA ALA 63 -6.346 -6.912 -16.723 537 HB1 ALA 63 3HB ALA 63 -8.250 -5.088 -15.262 538 HB2 ALA 63 1HB ALA 63 -8.716 -6.557 -16.122 539 HB3 ALA 63 2HB ALA 63 -8.018 -5.200 -17.008 540 H ASN 64 H ASN 64 -6.084 -4.946 -13.776 541 HA ASN 64 HA ASN 64 -3.667 -3.726 -14.794 542 HB2 ASN 64 1HB ASN 64 -6.088 -2.382 -15.190 543 HB3 ASN 64 2HB ASN 64 -5.369 -1.598 -13.787 544 HD21 ASN 64 2HD2 ASN 64 -5.714 -0.149 -16.027 545 HD22 ASN 64 1HD2 ASN 64 -4.197 0.166 -16.792 546 HA PRO 65 HA PRO 65 -2.928 -4.114 -10.403 547 HB2 PRO 65 1HB PRO 65 -0.397 -3.187 -10.356 548 HB3 PRO 65 2HB PRO 65 -0.801 -4.772 -11.028 549 HG2 PRO 65 1HG PRO 65 -0.301 -2.184 -12.447 550 HG3 PRO 65 2HG PRO 65 0.273 -3.812 -12.855 551 HD2 PRO 65 1HD PRO 65 -1.861 -2.629 -14.070 552 HD3 PRO 65 2HD PRO 65 -1.701 -4.385 -13.878 553 H ASN 66 H ASN 66 -1.588 -2.501 -8.776 554 HA ASN 66 HA ASN 66 -2.938 0.099 -9.059 555 HB2 ASN 66 1HB ASN 66 -2.393 -1.678 -6.742 556 HB3 ASN 66 2HB ASN 66 -2.285 0.054 -6.450 557 HD21 ASN 66 2HD2 ASN 66 -4.140 -1.247 -5.079 558 HD22 ASN 66 1HD2 ASN 66 -5.723 -0.935 -5.695 559 H ARG 67 H ARG 67 -1.841 2.011 -8.460 560 HA ARG 67 HA ARG 67 1.008 1.879 -7.934 561 HB2 ARG 67 1HB ARG 67 1.596 3.326 -9.837 562 HB3 ARG 67 2HB ARG 67 0.969 1.770 -10.358 563 HG2 ARG 67 1HG ARG 67 -1.136 3.740 -10.127 564 HG3 ARG 67 2HG ARG 67 0.147 4.272 -11.216 565 HD2 ARG 67 1HD ARG 67 -0.031 2.053 -12.363 566 HD3 ARG 67 2HD ARG 67 -1.452 1.720 -11.373 567 HE ARG 67 HE ARG 67 -2.063 4.085 -12.509 568 HH11 ARG 67 1HH1 ARG 67 -0.931 1.056 -13.860 569 HH12 ARG 67 2HH1 ARG 67 -1.738 1.293 -15.374 570 HH21 ARG 67 1HH2 ARG 67 -3.121 4.385 -14.501 571 HH22 ARG 67 2HH2 ARG 67 -2.979 3.181 -15.737 572 H THR 68 H THR 68 1.925 3.933 -7.319 573 HA THR 68 HA THR 68 -0.058 5.996 -6.639 574 HB THR 68 HB THR 68 2.037 5.857 -4.653 575 HG1 THR 68 HG1 THR 68 2.024 3.631 -5.094 576 HG21 THR 68 3HG2 THR 68 -0.663 6.515 -4.742 577 HG22 THR 68 1HG2 THR 68 0.402 6.544 -3.337 578 HG23 THR 68 2HG2 THR 68 -0.562 5.108 -3.682 579 H PHE 69 H PHE 69 0.496 7.911 -7.396 580 HA PHE 69 HA PHE 69 3.302 8.716 -7.470 581 HB2 PHE 69 1HB PHE 69 2.711 7.721 -9.709 582 HB3 PHE 69 2HB PHE 69 1.522 9.002 -9.899 583 HD1 PHE 69 HD1 PHE 69 2.405 11.431 -9.753 584 HD2 PHE 69 HD2 PHE 69 4.889 8.038 -10.420 585 HE1 PHE 69 HE1 PHE 69 4.140 12.892 -10.705 586 HE2 PHE 69 HE2 PHE 69 6.629 9.495 -11.371 587 HZ PHE 69 HZ PHE 69 6.257 11.925 -11.513 588 H THR 70 H THR 70 0.040 9.789 -8.443 589 HA THR 70 HA THR 70 0.262 12.099 -6.694 590 HB THR 70 HB THR 70 1.234 12.944 -8.753 591 HG1 THR 70 HG1 THR 70 -0.280 14.294 -7.605 592 HG21 THR 70 3HG2 THR 70 -1.227 11.860 -10.074 593 HG22 THR 70 1HG2 THR 70 0.462 11.545 -10.466 594 HG23 THR 70 2HG2 THR 70 -0.237 13.130 -10.795 595 H ASP 71 H ASP 71 -1.359 9.724 -6.658 596 HA ASP 71 HA ASP 71 -4.041 10.887 -7.060 597 HB2 ASP 71 1HB ASP 71 -2.971 8.157 -7.611 598 HB3 ASP 71 2HB ASP 71 -4.636 8.289 -7.057 599 HA PRO 72 HA PRO 72 -4.942 10.318 -2.774 600 HB2 PRO 72 1HB PRO 72 -7.494 9.350 -2.816 601 HB3 PRO 72 2HB PRO 72 -7.088 11.037 -3.152 602 HG2 PRO 72 1HG PRO 72 -7.641 8.803 -5.068 603 HG3 PRO 72 2HG PRO 72 -8.205 10.484 -5.117 604 HD2 PRO 72 1HD PRO 72 -6.151 9.625 -6.630 605 HD3 PRO 72 2HD PRO 72 -6.198 11.266 -5.956 606 HA PRO 73 HA PRO 73 -4.272 6.227 -1.240 607 HB2 PRO 73 1HB PRO 73 -6.262 5.895 0.649 608 HB3 PRO 73 2HB PRO 73 -4.750 6.764 0.919 609 HG2 PRO 73 1HG PRO 73 -7.456 7.836 0.241 610 HG3 PRO 73 2HG PRO 73 -6.253 8.466 1.382 611 HD2 PRO 73 1HD PRO 73 -6.594 9.573 -1.030 612 HD3 PRO 73 2HD PRO 73 -4.980 9.432 -0.305 613 H PHE 74 H PHE 74 -5.098 4.038 -1.104 614 HA PHE 74 HA PHE 74 -7.393 3.615 -2.896 615 HB2 PHE 74 1HB PHE 74 -4.758 2.367 -2.670 616 HB3 PHE 74 2HB PHE 74 -6.071 1.197 -2.754 617 HD1 PHE 74 HD1 PHE 74 -4.366 3.932 -4.511 618 HD2 PHE 74 HD2 PHE 74 -7.344 0.901 -4.753 619 HE1 PHE 74 HE1 PHE 74 -4.480 4.243 -6.948 620 HE2 PHE 74 HE2 PHE 74 -7.462 1.206 -7.191 621 HZ PHE 74 HZ PHE 74 -6.028 2.878 -8.292 622 H ARG 75 H ARG 75 -8.796 1.811 -2.486 623 HA ARG 75 HA ARG 75 -8.758 0.359 -0.044 624 HB2 ARG 75 1HB ARG 75 -9.862 2.977 0.078 625 HB3 ARG 75 2HB ARG 75 -11.199 1.841 0.183 626 HG2 ARG 75 1HG ARG 75 -8.752 1.745 1.934 627 HG3 ARG 75 2HG ARG 75 -10.270 2.530 2.374 628 HD2 ARG 75 1HD ARG 75 -11.449 0.433 2.238 629 HD3 ARG 75 2HD ARG 75 -10.006 -0.380 1.633 630 HE ARG 75 HE ARG 75 -9.322 0.725 4.076 631 HH11 ARG 75 1HH1 ARG 75 -11.595 -1.659 2.890 632 HH12 ARG 75 2HH1 ARG 75 -11.576 -2.586 4.352 633 HH21 ARG 75 1HH2 ARG 75 -9.301 -0.497 5.998 634 HH22 ARG 75 2HH2 ARG 75 -10.279 -1.923 6.120 635 H ILE 76 H ILE 76 -9.705 -1.519 -0.563 636 HA ILE 76 HA ILE 76 -12.256 -1.573 -1.880 637 HB ILE 76 HB ILE 76 -10.652 -1.342 -3.791 638 HG12 ILE 76 1HG1 ILE 76 -11.665 -3.188 -5.117 639 HG13 ILE 76 2HG1 ILE 76 -12.263 -3.897 -3.620 640 HG21 ILE 76 1HG2 ILE 76 -9.840 -4.182 -3.380 641 HG22 ILE 76 2HG2 ILE 76 -8.950 -2.892 -2.570 642 HG23 ILE 76 3HG2 ILE 76 -9.065 -2.914 -4.330 643 HD11 ILE 76 3HD1 ILE 76 -13.484 -1.946 -5.249 644 HD12 ILE 76 1HD1 ILE 76 -13.076 -1.174 -3.715 645 HD13 ILE 76 2HD1 ILE 76 -14.069 -2.633 -3.734 646 H GLU 77 H GLU 77 -13.374 -3.078 -0.876 647 HA GLU 77 HA GLU 77 -12.009 -5.530 0.008 648 HB2 GLU 77 1HB GLU 77 -12.437 -4.098 1.941 649 HB3 GLU 77 2HB GLU 77 -14.132 -3.968 1.488 650 HG2 GLU 77 1HG GLU 77 -14.391 -6.379 1.831 651 HG3 GLU 77 2HG GLU 77 -12.706 -6.472 2.341 652 H GLU 78 H GLU 78 -12.764 -7.139 -1.204 653 HA GLU 78 HA GLU 78 -15.659 -7.250 -1.732 654 HB2 GLU 78 1HB GLU 78 -13.796 -6.871 -3.661 655 HB3 GLU 78 2HB GLU 78 -13.864 -8.628 -3.632 656 HG2 GLU 78 1HG GLU 78 -16.524 -7.782 -3.610 657 HG3 GLU 78 2HG GLU 78 -15.705 -6.737 -4.770 658 H GLN 79 H GLN 79 -16.494 -9.441 -2.120 659 HA GLN 79 HA GLN 79 -15.011 -11.453 -0.555 660 HB2 GLN 79 1HB GLN 79 -17.151 -12.346 0.193 661 HB3 GLN 79 2HB GLN 79 -17.020 -10.646 0.615 662 HG2 GLN 79 1HG GLN 79 -18.901 -10.198 -0.452 663 HG3 GLN 79 2HG GLN 79 -18.252 -10.870 -1.946 664 HE21 GLN 79 2HE2 GLN 79 -20.391 -11.324 0.679 665 HE22 GLN 79 1HE2 GLN 79 -20.998 -12.874 0.213 666 H GLY 80 H GLY 80 -16.139 -13.738 -1.039 667 HA2 GLY 80 1HA GLY 80 -17.019 -15.179 -2.735 668 HA3 GLY 80 2HA GLY 80 -16.496 -14.016 -3.943 669 H TRP 81 H TRP 81 -15.660 -16.127 -4.832 670 HA TRP 81 HA TRP 81 -13.442 -17.414 -3.636 671 HB2 TRP 81 1HB TRP 81 -13.131 -18.490 -5.814 672 HB3 TRP 81 2HB TRP 81 -14.830 -18.495 -5.355 673 HD1 TRP 81 HD1 TRP 81 -16.258 -16.281 -6.538 674 HE1 TRP 81 HE1 TRP 81 -16.133 -15.529 -8.997 675 HE3 TRP 81 HE3 TRP 81 -11.782 -18.404 -7.812 676 HZ2 TRP 81 HZ2 TRP 81 -14.370 -15.803 -11.188 677 HZ3 TRP 81 HZ3 TRP 81 -10.948 -18.111 -10.108 678 HH2 TRP 81 HH2 TRP 81 -12.218 -16.836 -11.760 679 H GLY 82 H GLY 82 -11.428 -16.693 -3.393 680 HA2 GLY 82 1HA GLY 82 -9.774 -15.655 -5.329 681 HA3 GLY 82 2HA GLY 82 -10.548 -14.255 -4.607 682 H GLY 83 H GLY 83 -7.763 -15.813 -4.566 683 HA2 GLY 83 1HA GLY 83 -6.945 -14.749 -2.058 684 HA3 GLY 83 2HA GLY 83 -7.141 -16.491 -1.953 685 H PHE 84 H PHE 84 -5.059 -13.968 -2.795 686 HA PHE 84 HA PHE 84 -2.994 -15.851 -3.552 687 HB2 PHE 84 1HB PHE 84 -4.193 -13.906 -5.474 688 HB3 PHE 84 2HB PHE 84 -2.456 -14.181 -5.545 689 HD1 PHE 84 HD2 PHE 84 -1.755 -16.729 -5.570 690 HD2 PHE 84 HD1 PHE 84 -5.566 -15.239 -6.742 691 HE1 PHE 84 HE2 PHE 84 -2.133 -18.760 -6.905 692 HE2 PHE 84 HE1 PHE 84 -5.951 -17.268 -8.078 693 HZ PHE 84 HZ PHE 84 -4.234 -19.032 -8.161 694 HA PRO 85 HA PRO 85 -0.200 -13.139 -1.498 695 HB2 PRO 85 1HB PRO 85 1.535 -13.037 -3.903 696 HB3 PRO 85 2HB PRO 85 1.910 -13.564 -2.261 697 HG2 PRO 85 1HG PRO 85 1.614 -15.342 -4.220 698 HG3 PRO 85 2HG PRO 85 1.004 -15.676 -2.588 699 HD2 PRO 85 1HD PRO 85 -0.494 -14.819 -5.035 700 HD3 PRO 85 2HD PRO 85 -0.947 -16.005 -3.791 701 H LEU 86 H LEU 86 0.806 -11.030 -1.453 702 HA LEU 86 HA LEU 86 -0.209 -9.125 -3.456 703 HB2 LEU 86 1HB LEU 86 0.113 -8.399 -0.558 704 HB3 LEU 86 2HB LEU 86 -0.773 -7.545 -1.803 705 HG LEU 86 HG LEU 86 -2.396 -8.457 -0.365 706 HD11 LEU 86 1HD1 LEU 86 -3.662 -9.121 -2.048 707 HD12 LEU 86 2HD1 LEU 86 -2.834 -10.676 -2.098 708 HD13 LEU 86 3HD1 LEU 86 -2.219 -9.320 -3.039 709 HD21 LEU 86 3HD2 LEU 86 -2.354 -10.495 0.669 710 HD22 LEU 86 1HD2 LEU 86 -0.627 -10.178 0.521 711 HD23 LEU 86 2HD2 LEU 86 -1.425 -11.260 -0.619 712 H ASP 87 H ASP 87 1.035 -7.008 -3.359 713 HA ASP 87 HA ASP 87 3.704 -7.134 -2.258 714 HB2 ASP 87 1HB ASP 87 3.996 -8.410 -4.328 715 HB3 ASP 87 2HB ASP 87 3.302 -7.086 -5.258 716 H ILE 88 H ILE 88 4.334 -5.141 -1.675 717 HA ILE 88 HA ILE 88 3.268 -2.822 -3.141 718 HB ILE 88 HB ILE 88 3.402 -2.870 -0.126 719 HG12 ILE 88 1HG1 ILE 88 0.754 -2.796 -0.601 720 HG13 ILE 88 2HG1 ILE 88 1.255 -3.779 -1.973 721 HG21 ILE 88 1HG2 ILE 88 2.392 -0.941 -2.180 722 HG22 ILE 88 2HG2 ILE 88 3.477 -0.658 -0.818 723 HG23 ILE 88 3HG2 ILE 88 1.758 -0.924 -0.535 724 HD11 ILE 88 3HD1 ILE 88 2.003 -5.502 -0.624 725 HD12 ILE 88 1HD1 ILE 88 0.558 -4.938 0.215 726 HD13 ILE 88 2HD1 ILE 88 2.154 -4.463 0.793 727 H SER 89 H SER 89 4.960 -1.684 -3.867 728 HA SER 89 HA SER 89 7.351 -1.500 -2.155 729 HB2 SER 89 1HB SER 89 7.586 -2.905 -4.282 730 HB3 SER 89 2HB SER 89 7.448 -1.385 -5.163 731 HG SER 89 HG SER 89 9.281 -0.637 -4.021 732 H VAL 90 H VAL 90 8.433 0.432 -2.058 733 HA VAL 90 HA VAL 90 7.071 2.746 -3.273 734 HB VAL 90 HB VAL 90 8.489 2.899 -0.624 735 HG11 VAL 90 1HG1 VAL 90 6.205 4.608 -0.994 736 HG12 VAL 90 2HG1 VAL 90 7.342 4.787 -2.329 737 HG13 VAL 90 3HG1 VAL 90 7.885 5.035 -0.669 738 HG21 VAL 90 3HG2 VAL 90 6.757 1.180 -0.394 739 HG22 VAL 90 1HG2 VAL 90 5.557 2.308 -1.028 740 HG23 VAL 90 2HG2 VAL 90 6.348 2.635 0.514 741 H PHE 91 H PHE 91 8.363 4.409 -4.043 742 HA PHE 91 HA PHE 91 11.264 4.119 -3.806 743 HB2 PHE 91 1HB PHE 91 9.726 4.331 -6.395 744 HB3 PHE 91 2HB PHE 91 11.428 4.748 -6.274 745 HD1 PHE 91 HD2 PHE 91 9.033 1.958 -5.731 746 HD2 PHE 91 HD1 PHE 91 13.067 3.107 -6.469 747 HE1 PHE 91 HE2 PHE 91 9.635 -0.397 -6.098 748 HE2 PHE 91 HE1 PHE 91 13.671 0.753 -6.839 749 HZ PHE 91 HZ PHE 91 11.956 -1.003 -6.653 750 H LEU 92 H LEU 92 12.435 6.073 -4.220 751 HA LEU 92 HA LEU 92 10.942 8.551 -4.495 752 HB2 LEU 92 1HB LEU 92 10.945 7.822 -2.048 753 HB3 LEU 92 2HB LEU 92 12.671 8.107 -2.065 754 HG LEU 92 HG LEU 92 12.389 10.443 -2.337 755 HD11 LEU 92 1HD1 LEU 92 10.792 10.903 -3.887 756 HD12 LEU 92 2HD1 LEU 92 9.853 11.228 -2.432 757 HD13 LEU 92 3HD1 LEU 92 9.681 9.685 -3.266 758 HD21 LEU 92 3HD2 LEU 92 11.576 10.937 -0.285 759 HD22 LEU 92 1HD2 LEU 92 11.585 9.181 -0.122 760 HD23 LEU 92 2HD2 LEU 92 10.089 10.022 -0.529 761 H LEU 93 H LEU 93 12.655 10.457 -4.159 762 HA LEU 93 HA LEU 93 14.723 9.998 -6.083 763 HB2 LEU 93 1HB LEU 93 15.381 12.399 -5.369 764 HB3 LEU 93 2HB LEU 93 13.889 12.145 -6.249 765 HG LEU 93 HG LEU 93 13.592 12.092 -3.322 766 HD11 LEU 93 1HD1 LEU 93 13.925 14.805 -4.486 767 HD12 LEU 93 2HD1 LEU 93 15.370 13.914 -4.009 768 HD13 LEU 93 3HD1 LEU 93 14.113 14.255 -2.821 769 HD21 LEU 93 3HD2 LEU 93 11.908 12.238 -5.412 770 HD22 LEU 93 1HD2 LEU 93 12.096 13.954 -5.057 771 HD23 LEU 93 2HD2 LEU 93 11.518 12.852 -3.806 772 H GLU 94 H GLU 94 14.526 10.135 -2.603 773 HA GLU 94 HA GLU 94 17.442 9.848 -2.401 774 HB2 GLU 94 1HB GLU 94 15.542 10.433 -0.127 775 HB3 GLU 94 2HB GLU 94 17.288 10.635 -0.156 776 HG2 GLU 94 1HG GLU 94 15.406 12.222 -1.882 777 HG3 GLU 94 2HG GLU 94 15.961 12.749 -0.294 778 H LYS 95 H LYS 95 17.375 8.692 0.231 779 HA LYS 95 HA LYS 95 16.149 6.072 -0.304 780 HB2 LYS 95 1HB LYS 95 18.941 6.646 0.692 781 HB3 LYS 95 2HB LYS 95 18.186 5.060 0.789 782 HG2 LYS 95 1HG LYS 95 19.402 4.869 -1.143 783 HG3 LYS 95 2HG LYS 95 17.834 5.376 -1.772 784 HD2 LYS 95 1HD LYS 95 18.847 7.781 -1.488 785 HD3 LYS 95 2HD LYS 95 20.382 6.918 -1.542 786 HE2 LYS 95 1HE LYS 95 19.465 7.816 -3.745 787 HE3 LYS 95 2HE LYS 95 20.001 6.138 -3.716 788 HZ1 LYS 95 3HZ LYS 95 17.173 6.714 -3.175 789 HZ2 LYS 95 1HZ LYS 95 17.875 5.359 -3.904 790 HZ3 LYS 95 2HZ LYS 95 17.719 6.801 -4.772 791 H ALA 96 H ALA 96 14.469 7.045 1.083 792 HA ALA 96 HA ALA 96 15.184 6.887 3.940 793 HB1 ALA 96 3HB ALA 96 12.962 8.458 2.640 794 HB2 ALA 96 1HB ALA 96 14.452 9.115 3.318 795 HB3 ALA 96 2HB ALA 96 13.261 8.355 4.375 796 H GLY 97 H GLY 97 12.498 6.275 1.660 797 HA2 GLY 97 1HA GLY 97 11.807 3.908 3.271 798 HA3 GLY 97 2HA GLY 97 10.555 5.066 2.850 799 H GLU 98 H GLU 98 13.213 4.042 0.767 800 HA GLU 98 HA GLU 98 11.296 3.229 -1.258 801 HB2 GLU 98 1HB GLU 98 13.133 4.646 -1.956 802 HB3 GLU 98 2HB GLU 98 14.306 3.514 -1.301 803 HG2 GLU 98 1HG GLU 98 13.909 1.950 -2.997 804 HG3 GLU 98 2HG GLU 98 12.414 2.739 -3.493 805 H ARG 99 H ARG 99 10.568 1.356 0.027 806 HA ARG 99 HA ARG 99 12.200 -0.997 -0.580 807 HB2 ARG 99 1HB ARG 99 11.146 -0.268 2.148 808 HB3 ARG 99 2HB ARG 99 11.590 -1.914 1.719 809 HG2 ARG 99 1HG ARG 99 13.802 -1.484 1.792 810 HG3 ARG 99 2HG ARG 99 13.617 0.155 1.166 811 HD2 ARG 99 1HD ARG 99 12.933 0.971 3.302 812 HD3 ARG 99 2HD ARG 99 12.823 -0.665 3.953 813 HE ARG 99 HE ARG 99 15.436 -0.314 3.096 814 HH11 ARG 99 1HH1 ARG 99 13.307 1.103 5.490 815 HH12 ARG 99 2HH1 ARG 99 14.597 1.513 6.569 816 HH21 ARG 99 1HH2 ARG 99 17.125 0.228 4.521 817 HH22 ARG 99 2HH2 ARG 99 16.764 1.016 6.020 818 H LYS 100 H LYS 100 11.015 -3.012 -0.568 819 HA LYS 100 HA LYS 100 8.136 -2.636 -1.045 820 HB2 LYS 100 1HB LYS 100 8.222 -4.559 -2.521 821 HB3 LYS 100 2HB LYS 100 9.416 -3.374 -3.017 822 HG2 LYS 100 1HG LYS 100 10.687 -5.158 -1.222 823 HG3 LYS 100 2HG LYS 100 9.784 -6.117 -2.395 824 HD2 LYS 100 1HD LYS 100 11.545 -5.828 -3.745 825 HD3 LYS 100 2HD LYS 100 10.950 -4.181 -3.960 826 HE2 LYS 100 1HE LYS 100 12.923 -3.501 -3.172 827 HE3 LYS 100 2HE LYS 100 12.371 -4.056 -1.593 828 HZ1 LYS 100 3HZ LYS 100 13.305 -6.298 -2.284 829 HZ2 LYS 100 1HZ LYS 100 14.426 -5.083 -1.917 830 HZ3 LYS 100 2HZ LYS 100 14.100 -5.473 -3.530 831 H ILE 101 H ILE 101 6.653 -4.180 -0.259 832 HA ILE 101 HA ILE 101 7.684 -6.107 1.704 833 HB ILE 101 HB ILE 101 5.288 -4.350 2.237 834 HG12 ILE 101 1HG1 ILE 101 7.422 -3.055 2.238 835 HG13 ILE 101 2HG1 ILE 101 6.644 -3.117 3.817 836 HG21 ILE 101 1HG2 ILE 101 6.548 -6.643 3.598 837 HG22 ILE 101 2HG2 ILE 101 4.870 -6.103 3.595 838 HG23 ILE 101 3HG2 ILE 101 6.052 -5.306 4.633 839 HD11 ILE 101 3HD1 ILE 101 8.296 -4.380 4.731 840 HD12 ILE 101 1HD1 ILE 101 9.232 -3.512 3.514 841 HD13 ILE 101 2HD1 ILE 101 8.700 -5.164 3.203 842 HA PRO 102 HA PRO 102 4.641 -8.466 -0.656 843 HB2 PRO 102 1HB PRO 102 5.699 -10.877 -0.245 844 HB3 PRO 102 2HB PRO 102 6.498 -9.706 -1.302 845 HG2 PRO 102 1HG PRO 102 7.147 -10.470 1.514 846 HG3 PRO 102 2HG PRO 102 8.242 -10.125 0.164 847 HD2 PRO 102 1HD PRO 102 7.552 -8.330 2.176 848 HD3 PRO 102 2HD PRO 102 8.240 -7.892 0.601 849 H HIS 103 H HIS 103 2.908 -9.840 -0.126 850 HA HIS 103 HA HIS 103 2.654 -10.763 2.633 851 HB2 HIS 103 1HB HIS 103 1.013 -8.621 1.371 852 HB3 HIS 103 2HB HIS 103 0.168 -9.791 2.375 853 HD1 HIS 103 HD1 HIS 103 0.350 -6.830 3.204 854 HD2 HIS 103 HD2 HIS 103 2.998 -9.774 4.463 855 HE1 HIS 103 HE1 HIS 103 1.340 -5.972 5.352 856 HE2 HIS 103 HE2 HIS 103 3.034 -7.712 6.022 857 H ASP 104 H ASP 104 0.517 -12.020 2.882 858 HA ASP 104 HA ASP 104 -0.019 -13.529 0.405 859 HB2 ASP 104 1HB ASP 104 1.292 -14.607 2.465 860 HB3 ASP 104 2HB ASP 104 -0.348 -14.858 3.056 861 H LEU 105 H LEU 105 -2.172 -14.088 -0.015 862 HA LEU 105 HA LEU 105 -4.153 -13.104 1.929 863 HB2 LEU 105 1HB LEU 105 -3.622 -11.677 -0.247 864 HB3 LEU 105 2HB LEU 105 -4.728 -12.819 -0.978 865 HG LEU 105 HG LEU 105 -6.494 -12.153 0.547 866 HD11 LEU 105 1HD1 LEU 105 -5.824 -9.942 1.879 867 HD12 LEU 105 2HD1 LEU 105 -4.266 -10.768 1.904 868 HD13 LEU 105 3HD1 LEU 105 -5.693 -11.557 2.573 869 HD21 LEU 105 3HD2 LEU 105 -5.077 -10.102 -1.073 870 HD22 LEU 105 1HD2 LEU 105 -6.431 -9.589 -0.065 871 HD23 LEU 105 2HD2 LEU 105 -6.670 -10.823 -1.302 872 H ASN 106 H ASN 106 -4.375 -15.323 2.569 873 HA ASN 106 HA ASN 106 -6.503 -16.644 1.249 874 HB2 ASN 106 1HB ASN 106 -4.472 -17.230 -0.205 875 HB3 ASN 106 2HB ASN 106 -3.927 -18.210 1.154 876 HD21 ASN 106 2HD2 ASN 106 -7.096 -17.656 -0.370 877 HD22 ASN 106 1HD2 ASN 106 -7.442 -19.327 -0.636 878 H PHE 107 H PHE 107 -6.270 -15.784 3.830 879 HA PHE 107 HA PHE 107 -6.360 -18.319 5.288 880 HB2 PHE 107 1HB PHE 107 -4.488 -16.087 5.809 881 HB3 PHE 107 2HB PHE 107 -5.277 -16.772 7.223 882 HD1 PHE 107 HD2 PHE 107 -5.197 -19.355 7.439 883 HD2 PHE 107 HD1 PHE 107 -2.574 -17.087 4.972 884 HE1 PHE 107 HE2 PHE 107 -3.589 -21.216 7.445 885 HE2 PHE 107 HE1 PHE 107 -0.960 -18.946 4.972 886 HZ PHE 107 HZ PHE 107 -1.468 -21.013 6.211 887 H LEU 108 H LEU 108 -8.041 -18.489 6.630 888 HA LEU 108 HA LEU 108 -10.062 -16.526 6.685 889 HB2 LEU 108 1HB LEU 108 -11.132 -17.995 8.384 890 HB3 LEU 108 2HB LEU 108 -10.676 -18.826 6.912 891 HG LEU 108 HG LEU 108 -8.632 -18.944 9.017 892 HD11 LEU 108 1HD1 LEU 108 -9.893 -20.692 10.284 893 HD12 LEU 108 2HD1 LEU 108 -11.352 -20.162 9.447 894 HD13 LEU 108 3HD1 LEU 108 -10.487 -19.047 10.506 895 HD21 LEU 108 3HD2 LEU 108 -9.804 -21.399 7.930 896 HD22 LEU 108 1HD2 LEU 108 -8.123 -20.872 7.996 897 HD23 LEU 108 2HD2 LEU 108 -9.179 -20.288 6.711 898 H GLN 109 H GLN 109 -10.024 -14.698 7.753 899 HA GLN 109 HA GLN 109 -9.893 -13.182 9.436 900 HB2 GLN 109 1HB GLN 109 -8.879 -15.379 11.248 901 HB3 GLN 109 2HB GLN 109 -9.593 -13.845 11.722 902 HG2 GLN 109 1HG GLN 109 -11.543 -15.031 10.152 903 HG3 GLN 109 2HG GLN 109 -10.864 -16.366 11.080 904 HE21 GLN 109 2HE2 GLN 109 -11.874 -12.994 11.582 905 HE22 GLN 109 1HE2 GLN 109 -12.680 -13.283 13.082 906 H GLU 110 H GLU 110 -8.179 -12.490 7.945 907 HA GLU 110 HA GLU 110 -5.488 -12.781 9.090 908 HB2 GLU 110 1HB GLU 110 -5.637 -13.494 6.755 909 HB3 GLU 110 2HB GLU 110 -6.324 -11.942 6.307 910 HG2 GLU 110 1HG GLU 110 -4.279 -10.807 6.812 911 HG3 GLU 110 2HG GLU 110 -3.580 -12.276 7.491 912 H SER 111 H SER 111 -4.313 -11.015 9.636 913 HA SER 111 HA SER 111 -5.440 -8.357 9.179 914 HB2 SER 111 1HB SER 111 -5.092 -7.744 11.546 915 HB3 SER 111 2HB SER 111 -6.274 -9.042 11.376 916 HG SER 111 HG SER 111 -4.122 -9.052 12.860 917 H TYR 112 H TYR 112 -3.666 -8.453 7.624 918 HA TYR 112 HA TYR 112 -1.031 -8.016 8.858 919 HB2 TYR 112 1HB TYR 112 -1.879 -9.519 6.524 920 HB3 TYR 112 2HB TYR 112 -0.657 -8.324 6.105 921 HD1 TYR 112 HD2 TYR 112 1.483 -8.299 7.576 922 HD2 TYR 112 HD1 TYR 112 -1.230 -11.573 7.407 923 HE1 TYR 112 HE2 TYR 112 3.245 -9.795 8.412 924 HE2 TYR 112 HE1 TYR 112 0.526 -13.077 8.241 925 HH TYR 112 HH TYR 112 3.222 -12.985 8.143 926 H GLU 113 H GLU 113 -0.382 -5.990 8.917 927 HA GLU 113 HA GLU 113 -0.873 -4.227 6.667 928 HB2 GLU 113 1HB GLU 113 -2.118 -2.604 7.773 929 HB3 GLU 113 2HB GLU 113 -2.827 -4.105 8.335 930 HG2 GLU 113 1HG GLU 113 -0.897 -3.626 10.219 931 HG3 GLU 113 2HG GLU 113 -1.466 -2.004 9.823 932 H VAL 114 H VAL 114 0.564 -2.526 6.491 933 HA VAL 114 HA VAL 114 2.707 -2.415 8.513 934 HB VAL 114 HB VAL 114 3.172 -2.082 5.551 935 HG11 VAL 114 1HG1 VAL 114 4.879 -1.014 6.784 936 HG12 VAL 114 2HG1 VAL 114 5.545 -2.569 6.287 937 HG13 VAL 114 3HG1 VAL 114 4.979 -2.341 7.942 938 HG21 VAL 114 3HG2 VAL 114 3.615 -4.545 7.231 939 HG22 VAL 114 1HG2 VAL 114 4.129 -4.332 5.558 940 HG23 VAL 114 2HG2 VAL 114 2.412 -4.358 5.956 941 H GLU 115 H GLU 115 3.761 -0.431 8.793 942 HA GLU 115 HA GLU 115 2.553 1.899 7.479 943 HB2 GLU 115 1HB GLU 115 3.002 1.567 10.450 944 HB3 GLU 115 2HB GLU 115 2.597 3.092 9.675 945 HG2 GLU 115 1HG GLU 115 0.433 2.560 9.468 946 HG3 GLU 115 2HG GLU 115 0.779 0.891 9.026 947 H HIS 116 H HIS 116 4.178 2.753 6.359 948 HA HIS 116 HA HIS 116 6.828 2.955 7.642 949 HB2 HIS 116 1HB HIS 116 5.969 2.308 4.898 950 HB3 HIS 116 2HB HIS 116 7.305 3.447 4.998 951 HD1 HIS 116 HD1 HIS 116 9.341 2.131 4.522 952 HD2 HIS 116 HD2 HIS 116 6.769 0.124 7.096 953 HE1 HIS 116 HE1 HIS 116 10.553 0.028 5.177 954 HE2 HIS 116 HE2 HIS 116 8.964 -1.190 6.708 955 H VAL 117 H VAL 117 7.851 4.919 7.747 956 HA VAL 117 HA VAL 117 6.304 7.248 6.807 957 HB VAL 117 HB VAL 117 7.309 8.536 8.655 958 HG11 VAL 117 1HG1 VAL 117 5.707 7.930 10.156 959 HG12 VAL 117 2HG1 VAL 117 6.056 6.209 10.005 960 HG13 VAL 117 3HG1 VAL 117 5.132 7.035 8.751 961 HG21 VAL 117 3HG2 VAL 117 8.895 6.134 8.950 962 HG22 VAL 117 1HG2 VAL 117 8.125 6.591 10.468 963 HG23 VAL 117 2HG2 VAL 117 9.156 7.743 9.620 964 H ILE 118 H ILE 118 7.309 8.791 5.625 965 HA ILE 118 HA ILE 118 10.219 8.538 5.223 966 HB ILE 118 HB ILE 118 8.273 9.310 3.048 967 HG12 ILE 118 1HG1 ILE 118 9.510 6.813 2.485 968 HG13 ILE 118 2HG1 ILE 118 8.828 6.700 4.102 969 HG21 ILE 118 1HG2 ILE 118 10.954 8.249 2.434 970 HG22 ILE 118 2HG2 ILE 118 10.906 9.841 3.192 971 HG23 ILE 118 3HG2 ILE 118 10.046 9.558 1.679 972 HD11 ILE 118 3HD1 ILE 118 6.658 7.435 3.206 973 HD12 ILE 118 1HD1 ILE 118 7.231 5.933 2.481 974 HD13 ILE 118 2HD1 ILE 118 7.358 7.448 1.589 975 H GLN 119 H GLN 119 11.123 10.301 6.091 976 HA GLN 119 HA GLN 119 9.938 12.923 5.479 977 HB2 GLN 119 1HB GLN 119 10.742 13.681 7.748 978 HB3 GLN 119 2HB GLN 119 9.380 12.569 7.762 979 HG2 GLN 119 1HG GLN 119 10.521 10.992 8.863 980 HG3 GLN 119 2HG GLN 119 11.988 11.258 7.926 981 HE21 GLN 119 2HE2 GLN 119 13.489 11.414 9.484 982 HE22 GLN 119 1HE2 GLN 119 13.469 12.579 10.759 983 H ILE 120 H ILE 120 11.324 14.408 4.698 984 HA ILE 120 HA ILE 120 14.122 14.370 5.308 985 HB ILE 120 HB ILE 120 14.046 12.581 3.629 986 HG12 ILE 120 1HG1 ILE 120 15.583 13.891 1.884 987 HG13 ILE 120 2HG1 ILE 120 15.500 15.133 3.127 988 HG21 ILE 120 1HG2 ILE 120 13.349 14.505 1.473 989 HG22 ILE 120 2HG2 ILE 120 12.054 13.796 2.436 990 HG23 ILE 120 3HG2 ILE 120 13.154 12.754 1.535 991 HD11 ILE 120 3HD1 ILE 120 16.480 12.312 3.486 992 HD12 ILE 120 1HD1 ILE 120 16.347 13.517 4.768 993 HD13 ILE 120 2HD1 ILE 120 17.465 13.774 3.429 994 HA PRO 121 HA PRO 121 12.215 18.435 3.922 995 HB2 PRO 121 1HB PRO 121 12.421 19.738 6.289 996 HB3 PRO 121 2HB PRO 121 11.018 18.761 5.852 997 HG2 PRO 121 1HG PRO 121 13.320 18.086 7.627 998 HG3 PRO 121 2HG PRO 121 11.603 17.696 7.818 999 HD2 PRO 121 1HD PRO 121 13.480 15.925 6.897 1000 HD3 PRO 121 2HD PRO 121 11.756 15.839 6.493 1001 H LEU 122 H LEU 122 14.880 18.016 6.264 1002 HA LEU 122 HA LEU 122 16.875 19.041 4.583 1003 HB2 LEU 122 1HB LEU 122 15.753 21.183 4.892 1004 HB3 LEU 122 2HB LEU 122 15.810 20.991 6.635 1005 HG LEU 122 HG LEU 122 18.296 21.087 6.520 1006 HD11 LEU 122 1HD1 LEU 122 18.224 22.262 3.818 1007 HD12 LEU 122 2HD1 LEU 122 18.060 20.508 3.906 1008 HD13 LEU 122 3HD1 LEU 122 19.470 21.298 4.609 1009 HD21 LEU 122 3HD2 LEU 122 18.267 23.331 6.733 1010 HD22 LEU 122 1HD2 LEU 122 16.523 23.105 6.618 1011 HD23 LEU 122 2HD2 LEU 122 17.447 23.578 5.193 1012 H ASN 123 H ASN 123 17.886 17.193 5.411 1013 HA ASN 123 HA ASN 123 19.296 17.611 7.904 1014 HB2 ASN 123 1HB ASN 123 18.666 15.365 8.801 1015 HB3 ASN 123 2HB ASN 123 17.326 16.504 8.753 1016 HD21 ASN 123 2HD2 ASN 123 18.040 13.397 8.287 1017 HD22 ASN 123 1HD2 ASN 123 16.870 12.979 7.086 Start of MODEL 8 1 H1 MET 1 1H MET 1 7.634 30.159 4.805 2 H2 MET 1 2H MET 1 6.837 28.826 4.079 3 H3 MET 1 3H MET 1 6.818 30.360 3.312 4 HA MET 1 HA MET 1 8.360 28.671 2.381 5 HB2 MET 1 1HB MET 1 10.093 30.385 2.015 6 HB3 MET 1 2HB MET 1 8.474 31.055 1.879 7 HG2 MET 1 1HG MET 1 9.075 31.475 4.522 8 HG3 MET 1 2HG MET 1 10.627 31.712 3.723 9 HE1 MET 1 3HE MET 1 7.137 32.520 4.227 10 HE2 MET 1 1HE MET 1 6.687 33.316 2.719 11 HE3 MET 1 2HE MET 1 7.116 34.280 4.131 12 H VAL 2 H VAL 2 8.437 27.076 4.287 13 HA VAL 2 HA VAL 2 10.932 27.384 5.819 14 HB VAL 2 HB VAL 2 10.054 25.468 7.203 15 HG11 VAL 2 1HG1 VAL 2 8.958 28.205 7.096 16 HG12 VAL 2 2HG1 VAL 2 9.806 27.369 8.395 17 HG13 VAL 2 3HG1 VAL 2 8.094 27.054 8.116 18 HG21 VAL 2 3HG2 VAL 2 7.834 24.743 7.048 19 HG22 VAL 2 1HG2 VAL 2 8.393 24.784 5.377 20 HG23 VAL 2 2HG2 VAL 2 7.373 26.082 5.998 21 H ALA 3 H ALA 3 9.339 25.363 3.442 22 HA ALA 3 HA ALA 3 10.080 23.667 2.125 23 HB1 ALA 3 3HB ALA 3 11.946 24.660 1.317 24 HB2 ALA 3 1HB ALA 3 12.748 23.408 2.266 25 HB3 ALA 3 2HB ALA 3 12.575 25.036 2.920 26 H THR 4 H THR 4 9.070 22.029 3.310 27 HA THR 4 HA THR 4 10.914 20.349 4.858 28 HB THR 4 HB THR 4 8.673 19.818 6.217 29 HG1 THR 4 HG1 THR 4 7.310 21.269 5.318 30 HG21 THR 4 3HG2 THR 4 10.021 22.330 7.050 31 HG22 THR 4 1HG2 THR 4 10.953 20.836 6.986 32 HG23 THR 4 2HG2 THR 4 9.523 20.938 8.011 33 H VAL 5 H VAL 5 10.338 18.089 4.912 34 HA VAL 5 HA VAL 5 8.337 17.288 2.917 35 HB VAL 5 HB VAL 5 11.049 15.980 3.141 36 HG11 VAL 5 1HG1 VAL 5 8.589 15.465 1.589 37 HG12 VAL 5 2HG1 VAL 5 9.811 14.344 2.187 38 HG13 VAL 5 3HG1 VAL 5 10.118 15.284 0.728 39 HG21 VAL 5 3HG2 VAL 5 11.123 17.067 0.701 40 HG22 VAL 5 1HG2 VAL 5 11.741 17.893 2.130 41 HG23 VAL 5 2HG2 VAL 5 10.135 18.280 1.514 42 H LYS 6 H LYS 6 6.904 16.003 3.818 43 HA LYS 6 HA LYS 6 7.767 13.988 5.762 44 HB2 LYS 6 1HB LYS 6 5.404 15.847 6.116 45 HB3 LYS 6 2HB LYS 6 5.735 14.446 7.124 46 HG2 LYS 6 1HG LYS 6 7.756 15.439 7.947 47 HG3 LYS 6 2HG LYS 6 7.606 16.783 6.815 48 HD2 LYS 6 1HD LYS 6 5.260 17.051 8.024 49 HD3 LYS 6 2HD LYS 6 6.120 16.235 9.331 50 HE2 LYS 6 1HE LYS 6 7.423 18.021 9.761 51 HE3 LYS 6 2HE LYS 6 7.598 18.432 8.056 52 HZ1 LYS 6 3HZ LYS 6 6.323 20.165 8.701 53 HZ2 LYS 6 1HZ LYS 6 5.613 19.332 9.990 54 HZ3 LYS 6 2HZ LYS 6 5.061 19.075 8.413 55 H ARG 7 H ARG 7 7.226 12.076 4.957 56 HA ARG 7 HA ARG 7 4.641 11.783 3.584 57 HB2 ARG 7 1HB ARG 7 7.365 11.105 2.609 58 HB3 ARG 7 2HB ARG 7 6.077 9.967 2.239 59 HG2 ARG 7 1HG ARG 7 4.961 11.463 0.887 60 HG3 ARG 7 2HG ARG 7 5.689 12.870 1.665 61 HD2 ARG 7 1HD ARG 7 7.849 12.300 0.661 62 HD3 ARG 7 2HD ARG 7 7.115 10.903 -0.123 63 HE ARG 7 HE ARG 7 6.890 13.673 -0.911 64 HH11 ARG 7 1HH1 ARG 7 5.515 10.468 -1.195 65 HH12 ARG 7 2HH1 ARG 7 4.732 10.801 -2.704 66 HH21 ARG 7 1HH2 ARG 7 5.873 14.101 -2.908 67 HH22 ARG 7 2HH2 ARG 7 4.942 12.859 -3.680 68 H THR 8 H THR 8 3.820 9.578 3.535 69 HA THR 8 HA THR 8 5.021 7.570 5.195 70 HB THR 8 HB THR 8 4.055 8.970 6.946 71 HG1 THR 8 HG1 THR 8 3.909 6.634 7.098 72 HG21 THR 8 3HG2 THR 8 1.296 8.431 5.949 73 HG22 THR 8 1HG2 THR 8 2.182 9.851 5.396 74 HG23 THR 8 2HG2 THR 8 1.857 9.630 7.115 75 H ILE 9 H ILE 9 4.497 5.642 4.395 76 HA ILE 9 HA ILE 9 2.078 5.447 2.726 77 HB ILE 9 HB ILE 9 4.297 5.142 1.578 78 HG12 ILE 9 1HG1 ILE 9 2.093 4.234 0.757 79 HG13 ILE 9 2HG1 ILE 9 3.515 3.386 0.161 80 HG21 ILE 9 1HG2 ILE 9 5.288 3.860 3.522 81 HG22 ILE 9 2HG2 ILE 9 5.620 3.234 1.907 82 HG23 ILE 9 3HG2 ILE 9 4.401 2.461 2.918 83 HD11 ILE 9 3HD1 ILE 9 1.294 2.424 1.772 84 HD12 ILE 9 1HD1 ILE 9 2.870 1.965 2.414 85 HD13 ILE 9 2HD1 ILE 9 2.433 1.537 0.760 86 H ARG 10 H ARG 10 0.493 4.214 3.459 87 HA ARG 10 HA ARG 10 1.140 2.054 5.358 88 HB2 ARG 10 1HB ARG 10 -1.072 4.094 5.444 89 HB3 ARG 10 2HB ARG 10 -1.205 2.565 6.301 90 HG2 ARG 10 1HG ARG 10 0.457 3.106 7.803 91 HG3 ARG 10 2HG ARG 10 1.204 4.275 6.714 92 HD2 ARG 10 1HD ARG 10 -1.188 5.445 7.051 93 HD3 ARG 10 2HD ARG 10 -1.062 4.589 8.589 94 HE ARG 10 HE ARG 10 1.300 6.079 7.910 95 HH11 ARG 10 1HH1 ARG 10 -1.864 6.284 9.396 96 HH12 ARG 10 2HH1 ARG 10 -1.446 7.639 10.387 97 HH21 ARG 10 1HH2 ARG 10 1.842 7.865 9.214 98 HH22 ARG 10 2HH2 ARG 10 0.657 8.536 10.285 99 H ILE 11 H ILE 11 0.410 0.093 4.839 100 HA ILE 11 HA ILE 11 -1.755 -0.129 2.850 101 HB ILE 11 HB ILE 11 -0.629 -2.157 1.949 102 HG12 ILE 11 1HG1 ILE 11 2.047 -1.470 2.816 103 HG13 ILE 11 2HG1 ILE 11 1.029 -1.852 4.197 104 HG21 ILE 11 1HG2 ILE 11 -0.253 -0.514 0.459 105 HG22 ILE 11 2HG2 ILE 11 1.410 -0.662 1.023 106 HG23 ILE 11 3HG2 ILE 11 0.368 0.599 1.679 107 HD11 ILE 11 3HD1 ILE 11 2.390 -3.685 2.814 108 HD12 ILE 11 1HD1 ILE 11 0.874 -3.708 1.914 109 HD13 ILE 11 2HD1 ILE 11 0.876 -4.030 3.648 110 H LYS 12 H LYS 12 -3.416 -1.366 3.475 111 HA LYS 12 HA LYS 12 -2.978 -3.267 5.687 112 HB2 LYS 12 1HB LYS 12 -5.248 -1.366 5.170 113 HB3 LYS 12 2HB LYS 12 -5.472 -2.791 6.172 114 HG2 LYS 12 1HG LYS 12 -4.988 -1.171 7.732 115 HG3 LYS 12 2HG LYS 12 -3.405 -1.904 7.463 116 HD2 LYS 12 1HD LYS 12 -2.718 0.215 7.155 117 HD3 LYS 12 2HD LYS 12 -3.434 0.039 5.552 118 HE2 LYS 12 1HE LYS 12 -4.965 1.587 5.999 119 HE3 LYS 12 2HE LYS 12 -5.449 0.755 7.474 120 HZ1 LYS 12 3HZ LYS 12 -4.654 3.026 7.875 121 HZ2 LYS 12 1HZ LYS 12 -3.135 2.606 7.259 122 HZ3 LYS 12 2HZ LYS 12 -3.707 1.875 8.672 123 H THR 13 H THR 13 -3.567 -5.318 5.358 124 HA THR 13 HA THR 13 -5.414 -5.943 3.161 125 HB THR 13 HB THR 13 -2.791 -7.340 3.719 126 HG1 THR 13 HG1 THR 13 -2.070 -6.384 1.919 127 HG21 THR 13 3HG2 THR 13 -4.010 -7.980 1.196 128 HG22 THR 13 1HG2 THR 13 -5.056 -8.437 2.540 129 HG23 THR 13 2HG2 THR 13 -3.405 -9.050 2.460 130 H GLN 14 H GLN 14 -7.140 -6.791 4.168 131 HA GLN 14 HA GLN 14 -6.666 -8.814 6.262 132 HB2 GLN 14 1HB GLN 14 -7.700 -6.770 7.159 133 HB3 GLN 14 2HB GLN 14 -9.017 -6.929 6.005 134 HG2 GLN 14 1HG GLN 14 -9.435 -9.214 7.085 135 HG3 GLN 14 2HG GLN 14 -8.395 -8.637 8.386 136 HE21 GLN 14 2HE2 GLN 14 -11.444 -8.254 6.759 137 HE22 GLN 14 1HE2 GLN 14 -12.186 -7.253 7.956 138 H GLN 15 H GLN 15 -7.857 -10.713 6.205 139 HA GLN 15 HA GLN 15 -9.756 -11.075 4.000 140 HB2 GLN 15 1HB GLN 15 -7.653 -11.879 3.109 141 HB3 GLN 15 2HB GLN 15 -7.369 -12.846 4.550 142 HG2 GLN 15 1HG GLN 15 -8.266 -14.542 3.441 143 HG3 GLN 15 2HG GLN 15 -9.819 -13.739 3.644 144 HE21 GLN 15 2HE2 GLN 15 -10.679 -14.465 1.751 145 HE22 GLN 15 1HE2 GLN 15 -10.134 -13.939 0.198 146 H HIS 16 H HIS 16 -11.410 -12.522 4.400 147 HA HIS 16 HA HIS 16 -11.278 -14.153 6.820 148 HB2 HIS 16 1HB HIS 16 -12.265 -11.921 7.441 149 HB3 HIS 16 2HB HIS 16 -13.595 -12.275 6.343 150 HD1 HIS 16 HD1 HIS 16 -15.157 -14.309 7.027 151 HD2 HIS 16 HD2 HIS 16 -12.434 -13.091 9.921 152 HE1 HIS 16 HE1 HIS 16 -15.955 -15.338 9.178 153 HE2 HIS 16 HE2 HIS 16 -14.233 -14.675 10.892 154 H ILE 17 H ILE 17 -11.890 -16.141 6.270 155 HA ILE 17 HA ILE 17 -13.804 -16.448 4.049 156 HB ILE 17 HB ILE 17 -11.976 -18.597 5.108 157 HG12 ILE 17 1HG1 ILE 17 -11.452 -16.845 2.700 158 HG13 ILE 17 2HG1 ILE 17 -10.710 -16.573 4.272 159 HG21 ILE 17 1HG2 ILE 17 -14.067 -19.061 3.668 160 HG22 ILE 17 2HG2 ILE 17 -12.541 -19.824 3.225 161 HG23 ILE 17 3HG2 ILE 17 -13.105 -18.404 2.345 162 HD11 ILE 17 3HD1 ILE 17 -10.060 -18.513 2.198 163 HD12 ILE 17 1HD1 ILE 17 -10.138 -19.202 3.820 164 HD13 ILE 17 2HD1 ILE 17 -9.060 -17.846 3.489 165 H LEU 18 H LEU 18 -15.687 -17.555 4.335 166 HA LEU 18 HA LEU 18 -16.174 -18.701 7.009 167 HB2 LEU 18 1HB LEU 18 -17.835 -16.903 5.309 168 HB3 LEU 18 2HB LEU 18 -18.653 -18.080 6.318 169 HG LEU 18 HG LEU 18 -16.643 -16.144 7.441 170 HD11 LEU 18 1HD1 LEU 18 -18.171 -14.494 7.659 171 HD12 LEU 18 2HD1 LEU 18 -19.527 -15.615 7.790 172 HD13 LEU 18 3HD1 LEU 18 -18.840 -15.241 6.208 173 HD21 LEU 18 3HD2 LEU 18 -18.936 -17.210 8.978 174 HD22 LEU 18 1HD2 LEU 18 -17.278 -16.891 9.486 175 HD23 LEU 18 2HD2 LEU 18 -17.653 -18.349 8.567 176 HA PRO 19 HA PRO 19 -17.010 -21.963 3.787 177 HB2 PRO 19 1HB PRO 19 -15.221 -23.792 4.586 178 HB3 PRO 19 2HB PRO 19 -14.761 -22.438 3.546 179 HG2 PRO 19 1HG PRO 19 -14.382 -22.778 6.493 180 HG3 PRO 19 2HG PRO 19 -13.262 -22.119 5.290 181 HD2 PRO 19 1HD PRO 19 -14.821 -20.581 6.951 182 HD3 PRO 19 2HD PRO 19 -14.200 -20.041 5.381 183 H GLU 20 H GLU 20 -16.712 -21.996 7.275 184 HA GLU 20 HA GLU 20 -18.039 -24.528 7.610 185 HB2 GLU 20 1HB GLU 20 -16.324 -23.232 9.174 186 HB3 GLU 20 2HB GLU 20 -17.809 -22.578 9.851 187 HG2 GLU 20 1HG GLU 20 -18.590 -24.768 10.420 188 HG3 GLU 20 2HG GLU 20 -17.234 -25.518 9.575 189 H VAL 21 H VAL 21 -18.915 -21.226 8.679 190 HA VAL 21 HA VAL 21 -21.738 -22.026 8.539 191 HB VAL 21 HB VAL 21 -20.587 -19.591 9.902 192 HG11 VAL 21 1HG1 VAL 21 -23.132 -19.943 9.143 193 HG12 VAL 21 2HG1 VAL 21 -22.676 -19.083 10.614 194 HG13 VAL 21 3HG1 VAL 21 -23.179 -20.771 10.701 195 HG21 VAL 21 3HG2 VAL 21 -20.857 -22.392 10.806 196 HG22 VAL 21 1HG2 VAL 21 -21.359 -21.144 11.946 197 HG23 VAL 21 2HG2 VAL 21 -19.718 -21.141 11.302 198 HA PRO 22 HA PRO 22 -21.562 -19.347 4.861 199 HB2 PRO 22 1HB PRO 22 -23.693 -20.425 3.615 200 HB3 PRO 22 2HB PRO 22 -22.107 -21.204 3.605 201 HG2 PRO 22 1HG PRO 22 -24.502 -21.802 5.298 202 HG3 PRO 22 2HG PRO 22 -23.395 -22.927 4.490 203 HD2 PRO 22 1HD PRO 22 -23.239 -22.307 7.144 204 HD3 PRO 22 2HD PRO 22 -21.838 -22.795 6.169 205 HA PRO 23 HA PRO 23 -24.654 -16.675 6.841 206 HB2 PRO 23 1HB PRO 23 -23.795 -14.371 5.708 207 HB3 PRO 23 2HB PRO 23 -22.979 -15.114 7.088 208 HG2 PRO 23 1HG PRO 23 -22.274 -15.236 4.180 209 HG3 PRO 23 2HG PRO 23 -21.210 -14.993 5.579 210 HD2 PRO 23 1HD PRO 23 -21.482 -17.389 4.339 211 HD3 PRO 23 2HD PRO 23 -21.143 -17.240 6.076 212 H VAL 24 H VAL 24 -25.991 -18.074 5.226 213 HA VAL 24 HA VAL 24 -27.585 -18.228 3.616 214 HB VAL 24 HB VAL 24 -27.738 -15.214 3.784 215 HG11 VAL 24 1HG1 VAL 24 -29.447 -17.351 2.670 216 HG12 VAL 24 2HG1 VAL 24 -29.245 -15.675 2.160 217 HG13 VAL 24 3HG1 VAL 24 -30.272 -16.059 3.541 218 HG21 VAL 24 3HG2 VAL 24 -29.582 -15.832 5.513 219 HG22 VAL 24 1HG2 VAL 24 -27.895 -15.784 6.023 220 HG23 VAL 24 2HG2 VAL 24 -28.669 -17.332 5.682 221 H GLU 25 H GLU 25 -25.341 -18.625 2.402 222 HA GLU 25 HA GLU 25 -25.570 -17.187 -0.135 223 HB2 GLU 25 1HB GLU 25 -23.696 -16.282 1.443 224 HB3 GLU 25 2HB GLU 25 -22.832 -17.735 0.962 225 HG2 GLU 25 1HG GLU 25 -22.422 -16.969 -1.114 226 HG3 GLU 25 2HG GLU 25 -23.974 -16.148 -1.240 227 H ASN 26 H ASN 26 -24.342 -18.289 -1.905 228 HA ASN 26 HA ASN 26 -24.448 -21.206 -1.534 229 HB2 ASN 26 1HB ASN 26 -24.815 -19.501 -4.006 230 HB3 ASN 26 2HB ASN 26 -24.696 -21.258 -4.046 231 HD21 ASN 26 2HD2 ASN 26 -26.188 -22.121 -2.031 232 HD22 ASN 26 1HD2 ASN 26 -27.827 -21.602 -2.188 233 H PHE 27 H PHE 27 -22.699 -22.450 -1.911 234 HA PHE 27 HA PHE 27 -20.589 -23.114 -2.445 235 HB2 PHE 27 1HB PHE 27 -21.262 -21.345 -4.522 236 HB3 PHE 27 2HB PHE 27 -19.656 -20.858 -4.000 237 HD1 PHE 27 HD1 PHE 27 -21.418 -24.122 -4.511 238 HD2 PHE 27 HD2 PHE 27 -17.984 -21.730 -5.300 239 HE1 PHE 27 HE1 PHE 27 -20.443 -25.960 -5.827 240 HE2 PHE 27 HE2 PHE 27 -17.006 -23.565 -6.616 241 HZ PHE 27 HZ PHE 27 -18.236 -25.682 -6.880 242 HA PRO 28 HA PRO 28 -17.933 -21.294 0.566 243 HB2 PRO 28 1HB PRO 28 -15.655 -21.701 -1.297 244 HB3 PRO 28 2HB PRO 28 -15.878 -22.287 0.356 245 HG2 PRO 28 1HG PRO 28 -16.117 -23.943 -1.715 246 HG3 PRO 28 2HG PRO 28 -17.200 -24.074 -0.316 247 HD2 PRO 28 1HD PRO 28 -17.718 -22.890 -3.014 248 HD3 PRO 28 2HD PRO 28 -18.787 -23.871 -1.989 249 H VAL 29 H VAL 29 -17.953 -19.173 0.937 250 HA VAL 29 HA VAL 29 -16.930 -17.342 -1.136 251 HB VAL 29 HB VAL 29 -18.815 -16.663 1.125 252 HG11 VAL 29 1HG1 VAL 29 -19.240 -14.639 -0.303 253 HG12 VAL 29 2HG1 VAL 29 -17.846 -15.120 -1.270 254 HG13 VAL 29 3HG1 VAL 29 -17.640 -14.719 0.434 255 HG21 VAL 29 3HG2 VAL 29 -20.579 -17.262 -0.104 256 HG22 VAL 29 1HG2 VAL 29 -19.439 -18.180 -1.089 257 HG23 VAL 29 2HG2 VAL 29 -19.906 -16.549 -1.570 258 H ARG 30 H ARG 30 -15.657 -15.535 -0.482 259 HA ARG 30 HA ARG 30 -14.518 -15.671 2.221 260 HB2 ARG 30 1HB ARG 30 -12.271 -15.083 1.031 261 HB3 ARG 30 2HB ARG 30 -12.794 -16.755 1.137 262 HG2 ARG 30 1HG ARG 30 -13.835 -16.320 -1.197 263 HG3 ARG 30 2HG ARG 30 -12.743 -14.934 -1.232 264 HD2 ARG 30 1HD ARG 30 -11.254 -16.390 -2.065 265 HD3 ARG 30 2HD ARG 30 -11.077 -16.918 -0.392 266 HE ARG 30 HE ARG 30 -12.180 -18.867 -0.913 267 HH11 ARG 30 1HH1 ARG 30 -12.514 -16.617 -3.572 268 HH12 ARG 30 2HH1 ARG 30 -13.174 -17.796 -4.652 269 HH21 ARG 30 1HH2 ARG 30 -13.058 -20.418 -2.340 270 HH22 ARG 30 2HH2 ARG 30 -13.483 -19.954 -3.953 271 H GLN 31 H GLN 31 -13.252 -13.716 2.800 272 HA GLN 31 HA GLN 31 -14.340 -11.307 1.492 273 HB2 GLN 31 1HB GLN 31 -14.690 -12.163 4.143 274 HB3 GLN 31 2HB GLN 31 -13.525 -10.848 4.228 275 HG2 GLN 31 1HG GLN 31 -15.545 -9.994 2.478 276 HG3 GLN 31 2HG GLN 31 -16.360 -10.751 3.844 277 HE21 GLN 31 2HE2 GLN 31 -15.635 -10.019 6.014 278 HE22 GLN 31 1HE2 GLN 31 -15.238 -8.350 6.209 279 H TRP 32 H TRP 32 -12.997 -9.429 1.474 280 HA TRP 32 HA TRP 32 -10.217 -9.678 2.250 281 HB2 TRP 32 1HB TRP 32 -9.413 -9.127 -0.068 282 HB3 TRP 32 2HB TRP 32 -10.079 -10.747 0.108 283 HD1 TRP 32 HD1 TRP 32 -12.685 -11.049 -0.839 284 HE1 TRP 32 HE1 TRP 32 -13.799 -9.943 -2.877 285 HE3 TRP 32 HE3 TRP 32 -9.478 -7.117 -1.485 286 HZ2 TRP 32 HZ2 TRP 32 -13.374 -7.703 -4.542 287 HZ3 TRP 32 HZ3 TRP 32 -9.904 -5.540 -3.326 288 HH2 TRP 32 HH2 TRP 32 -11.812 -5.827 -4.821 289 H SER 33 H SER 33 -9.065 -7.700 2.218 290 HA SER 33 HA SER 33 -10.473 -5.278 1.438 291 HB2 SER 33 1HB SER 33 -11.307 -5.400 3.651 292 HB3 SER 33 2HB SER 33 -9.761 -5.953 4.290 293 HG SER 33 HG SER 33 -9.932 -3.811 4.800 294 H ILE 34 H ILE 34 -9.049 -4.075 0.352 295 HA ILE 34 HA ILE 34 -6.235 -4.055 1.246 296 HB ILE 34 HB ILE 34 -7.083 -3.798 -1.639 297 HG12 ILE 34 1HG1 ILE 34 -7.622 -6.061 -0.838 298 HG13 ILE 34 2HG1 ILE 34 -6.281 -6.087 -1.975 299 HG21 ILE 34 1HG2 ILE 34 -4.773 -3.017 -0.449 300 HG22 ILE 34 2HG2 ILE 34 -4.921 -3.484 -2.142 301 HG23 ILE 34 3HG2 ILE 34 -4.365 -4.658 -0.950 302 HD11 ILE 34 3HD1 ILE 34 -4.710 -6.466 -0.252 303 HD12 ILE 34 1HD1 ILE 34 -6.052 -7.572 0.034 304 HD13 ILE 34 2HD1 ILE 34 -5.896 -6.108 1.001 305 H GLU 35 H GLU 35 -5.274 -2.066 1.405 306 HA GLU 35 HA GLU 35 -6.400 0.258 0.100 307 HB2 GLU 35 1HB GLU 35 -6.734 1.494 2.250 308 HB3 GLU 35 2HB GLU 35 -7.888 0.198 1.972 309 HG2 GLU 35 1HG GLU 35 -6.446 -1.250 3.437 310 HG3 GLU 35 2HG GLU 35 -5.550 0.210 3.854 311 H ILE 36 H ILE 36 -4.708 1.393 -0.567 312 HA ILE 36 HA ILE 36 -2.341 1.564 1.177 313 HB ILE 36 HB ILE 36 -1.730 0.136 -0.665 314 HG12 ILE 36 1HG1 ILE 36 -0.602 2.896 -1.175 315 HG13 ILE 36 2HG1 ILE 36 -0.098 1.847 0.146 316 HG21 ILE 36 1HG2 ILE 36 -1.796 1.751 -2.943 317 HG22 ILE 36 2HG2 ILE 36 -3.383 1.918 -2.193 318 HG23 ILE 36 3HG2 ILE 36 -2.769 0.317 -2.614 319 HD11 ILE 36 3HD1 ILE 36 0.067 0.984 -2.719 320 HD12 ILE 36 1HD1 ILE 36 0.889 0.307 -1.314 321 HD13 ILE 36 2HD1 ILE 36 1.356 1.892 -1.928 322 H VAL 37 H VAL 37 -1.736 3.552 1.682 323 HA VAL 37 HA VAL 37 -2.626 5.794 -0.004 324 HB VAL 37 HB VAL 37 -3.039 7.149 1.997 325 HG11 VAL 37 1HG1 VAL 37 -4.933 5.408 2.903 326 HG12 VAL 37 2HG1 VAL 37 -4.581 4.761 1.300 327 HG13 VAL 37 3HG1 VAL 37 -5.098 6.437 1.481 328 HG21 VAL 37 3HG2 VAL 37 -3.040 6.235 4.208 329 HG22 VAL 37 1HG2 VAL 37 -1.471 5.891 3.481 330 HG23 VAL 37 2HG2 VAL 37 -2.685 4.617 3.599 331 H LEU 38 H LEU 38 -1.376 7.761 0.231 332 HA LEU 38 HA LEU 38 1.138 7.712 1.616 333 HB2 LEU 38 1HB LEU 38 2.350 8.196 -0.652 334 HB3 LEU 38 2HB LEU 38 2.112 6.549 -0.102 335 HG LEU 38 HG LEU 38 -0.116 7.430 -1.734 336 HD11 LEU 38 1HD1 LEU 38 0.836 8.148 -3.640 337 HD12 LEU 38 2HD1 LEU 38 2.265 7.134 -3.436 338 HD13 LEU 38 3HD1 LEU 38 2.136 8.663 -2.567 339 HD21 LEU 38 3HD2 LEU 38 -0.042 5.290 -2.424 340 HD22 LEU 38 1HD2 LEU 38 1.054 5.083 -1.059 341 HD23 LEU 38 2HD2 LEU 38 1.703 5.323 -2.681 342 H LEU 39 H LEU 39 2.269 9.758 1.497 343 HA LEU 39 HA LEU 39 0.427 11.965 1.065 344 HB2 LEU 39 1HB LEU 39 3.158 11.785 2.323 345 HB3 LEU 39 2HB LEU 39 2.336 13.311 2.071 346 HG LEU 39 HG LEU 39 1.214 11.046 3.717 347 HD11 LEU 39 1HD1 LEU 39 1.776 12.599 5.633 348 HD12 LEU 39 2HD1 LEU 39 2.820 13.461 4.502 349 HD13 LEU 39 3HD1 LEU 39 3.133 11.766 4.878 350 HD21 LEU 39 3HD2 LEU 39 0.310 13.797 4.161 351 HD22 LEU 39 1HD2 LEU 39 -0.616 12.301 4.044 352 HD23 LEU 39 2HD2 LEU 39 -0.110 13.142 2.579 353 H ASP 40 H ASP 40 1.362 14.023 0.115 354 HA ASP 40 HA ASP 40 3.439 13.800 -1.835 355 HB2 ASP 40 1HB ASP 40 1.067 12.813 -2.733 356 HB3 ASP 40 2HB ASP 40 0.912 14.508 -3.190 357 H ASP 41 H ASP 41 0.420 15.609 -1.282 358 HA ASP 41 HA ASP 41 1.464 18.133 -2.004 359 HB2 ASP 41 1HB ASP 41 -0.579 19.054 -1.052 360 HB3 ASP 41 2HB ASP 41 -0.955 17.598 -1.967 361 H GLU 42 H GLU 42 1.650 16.289 0.931 362 HA GLU 42 HA GLU 42 2.413 18.603 2.526 363 HB2 GLU 42 1HB GLU 42 1.651 15.805 3.074 364 HB3 GLU 42 2HB GLU 42 2.885 16.463 4.139 365 HG2 GLU 42 1HG GLU 42 1.459 18.184 4.889 366 HG3 GLU 42 2HG GLU 42 0.287 17.866 3.612 367 H GLY 43 H GLY 43 3.875 15.737 1.068 368 HA2 GLY 43 1HA GLY 43 6.511 16.654 2.009 369 HA3 GLY 43 2HA GLY 43 6.136 15.009 1.522 370 H LYS 44 H LYS 44 5.718 18.221 0.057 371 HA LYS 44 HA LYS 44 6.306 19.097 -1.938 372 HB2 LYS 44 1HB LYS 44 8.479 17.231 -1.310 373 HB3 LYS 44 2HB LYS 44 8.313 17.599 -3.019 374 HG2 LYS 44 1HG LYS 44 8.363 19.788 -0.988 375 HG3 LYS 44 2HG LYS 44 9.861 19.060 -1.574 376 HD2 LYS 44 1HD LYS 44 9.178 19.602 -3.886 377 HD3 LYS 44 2HD LYS 44 7.734 20.394 -3.252 378 HE2 LYS 44 1HE LYS 44 9.618 21.648 -1.803 379 HE3 LYS 44 2HE LYS 44 10.553 21.287 -3.254 380 HZ1 LYS 44 3HZ LYS 44 7.897 22.440 -3.637 381 HZ2 LYS 44 1HZ LYS 44 9.325 22.699 -4.506 382 HZ3 LYS 44 2HZ LYS 44 9.091 23.464 -3.017 383 H GLU 45 H GLU 45 4.965 18.953 -3.584 384 HA GLU 45 HA GLU 45 4.104 16.362 -4.570 385 HB2 GLU 45 1HB GLU 45 2.430 17.620 -5.829 386 HB3 GLU 45 2HB GLU 45 2.432 18.101 -4.137 387 HG2 GLU 45 1HG GLU 45 4.147 19.918 -5.169 388 HG3 GLU 45 2HG GLU 45 3.090 19.647 -6.551 389 H ILE 46 H ILE 46 6.859 17.201 -5.138 390 HA ILE 46 HA ILE 46 6.737 17.166 -8.079 391 HB ILE 46 HB ILE 46 8.877 18.582 -6.486 392 HG12 ILE 46 1HG1 ILE 46 6.752 19.953 -8.126 393 HG13 ILE 46 2HG1 ILE 46 6.510 19.614 -6.414 394 HG21 ILE 46 1HG2 ILE 46 9.532 19.505 -8.645 395 HG22 ILE 46 2HG2 ILE 46 8.246 18.591 -9.434 396 HG23 ILE 46 3HG2 ILE 46 9.587 17.743 -8.664 397 HD11 ILE 46 3HD1 ILE 46 8.070 21.147 -5.752 398 HD12 ILE 46 1HD1 ILE 46 7.453 21.915 -7.215 399 HD13 ILE 46 2HD1 ILE 46 8.980 21.035 -7.259 400 HA PRO 47 HA PRO 47 9.225 13.496 -7.511 401 HB2 PRO 47 1HB PRO 47 9.924 13.079 -10.091 402 HB3 PRO 47 2HB PRO 47 8.289 12.773 -9.492 403 HG2 PRO 47 1HG PRO 47 9.346 15.147 -10.983 404 HG3 PRO 47 2HG PRO 47 7.829 14.260 -11.225 405 HD2 PRO 47 1HD PRO 47 7.956 16.606 -9.870 406 HD3 PRO 47 2HD PRO 47 6.772 15.340 -9.489 407 H ALA 48 H ALA 48 11.472 12.696 -8.167 408 HA ALA 48 HA ALA 48 13.382 14.838 -8.704 409 HB1 ALA 48 3HB ALA 48 13.636 15.095 -6.469 410 HB2 ALA 48 1HB ALA 48 14.724 13.723 -6.683 411 HB3 ALA 48 2HB ALA 48 13.078 13.461 -6.104 412 H THR 49 H THR 49 13.641 11.502 -7.439 413 HA THR 49 HA THR 49 15.262 10.842 -9.814 414 HB THR 49 HB THR 49 16.332 9.093 -8.285 415 HG1 THR 49 HG1 THR 49 15.278 10.762 -6.253 416 HG21 THR 49 3HG2 THR 49 18.050 10.467 -8.055 417 HG22 THR 49 1HG2 THR 49 17.154 11.512 -6.952 418 HG23 THR 49 2HG2 THR 49 17.020 11.747 -8.694 419 H ILE 50 H ILE 50 13.780 8.872 -7.231 420 HA ILE 50 HA ILE 50 12.603 7.201 -9.334 421 HB ILE 50 HB ILE 50 12.975 6.562 -6.401 422 HG12 ILE 50 1HG1 ILE 50 14.434 5.359 -8.751 423 HG13 ILE 50 2HG1 ILE 50 15.060 6.740 -7.855 424 HG21 ILE 50 1HG2 ILE 50 12.328 4.299 -6.990 425 HG22 ILE 50 2HG2 ILE 50 12.109 4.775 -8.673 426 HG23 ILE 50 3HG2 ILE 50 11.045 5.425 -7.427 427 HD11 ILE 50 3HD1 ILE 50 15.658 5.485 -6.086 428 HD12 ILE 50 1HD1 ILE 50 15.679 4.199 -7.292 429 HD13 ILE 50 2HD1 ILE 50 14.274 4.402 -6.245 430 H PHE 51 H PHE 51 11.450 7.521 -5.994 431 HA PHE 51 HA PHE 51 9.381 7.863 -5.150 432 HB2 PHE 51 1HB PHE 51 9.769 10.150 -5.395 433 HB3 PHE 51 2HB PHE 51 9.694 10.078 -7.148 434 HD1 PHE 51 HD2 PHE 51 7.277 8.834 -4.586 435 HD2 PHE 51 HD1 PHE 51 8.031 11.571 -7.761 436 HE1 PHE 51 HE2 PHE 51 4.929 9.572 -4.504 437 HE2 PHE 51 HE1 PHE 51 5.686 12.311 -7.678 438 HZ PHE 51 HZ PHE 51 4.133 11.312 -6.053 439 H ASP 52 H ASP 52 8.269 6.029 -5.579 440 HA ASP 52 HA ASP 52 6.046 6.174 -7.323 441 HB2 ASP 52 1HB ASP 52 8.029 5.627 -8.899 442 HB3 ASP 52 2HB ASP 52 7.994 4.032 -8.156 443 H LYS 53 H LYS 53 4.707 5.435 -5.780 444 HA LYS 53 HA LYS 53 5.418 2.993 -4.321 445 HB2 LYS 53 1HB LYS 53 3.331 5.120 -3.850 446 HB3 LYS 53 2HB LYS 53 3.374 3.617 -2.946 447 HG2 LYS 53 1HG LYS 53 4.905 4.416 -1.567 448 HG3 LYS 53 2HG LYS 53 5.964 4.845 -2.911 449 HD2 LYS 53 1HD LYS 53 4.898 6.975 -3.158 450 HD3 LYS 53 2HD LYS 53 3.634 6.531 -2.010 451 HE2 LYS 53 1HE LYS 53 5.771 6.162 -0.447 452 HE3 LYS 53 2HE LYS 53 6.429 7.388 -1.530 453 HZ1 LYS 53 3HZ LYS 53 4.176 7.594 0.354 454 HZ2 LYS 53 1HZ LYS 53 4.234 8.613 -0.995 455 HZ3 LYS 53 2HZ LYS 53 5.488 8.642 0.138 456 H VAL 54 H VAL 54 4.723 1.133 -5.191 457 HA VAL 54 HA VAL 54 2.064 1.116 -6.459 458 HB VAL 54 HB VAL 54 2.901 -0.580 -8.063 459 HG11 VAL 54 1HG1 VAL 54 3.176 1.093 -9.499 460 HG12 VAL 54 2HG1 VAL 54 4.714 1.546 -8.766 461 HG13 VAL 54 3HG1 VAL 54 3.206 2.192 -8.122 462 HG21 VAL 54 3HG2 VAL 54 5.589 0.146 -6.908 463 HG22 VAL 54 1HG2 VAL 54 5.353 -0.744 -8.410 464 HG23 VAL 54 2HG2 VAL 54 4.811 -1.436 -6.883 465 H ILE 55 H ILE 55 1.036 -0.996 -6.580 466 HA ILE 55 HA ILE 55 1.864 -2.787 -4.398 467 HB ILE 55 HB ILE 55 -0.496 -1.262 -4.517 468 HG12 ILE 55 1HG1 ILE 55 -0.268 -3.643 -2.726 469 HG13 ILE 55 2HG1 ILE 55 0.946 -2.371 -2.610 470 HG21 ILE 55 1HG2 ILE 55 -2.315 -2.738 -4.654 471 HG22 ILE 55 2HG2 ILE 55 -1.274 -4.161 -4.644 472 HG23 ILE 55 3HG2 ILE 55 -1.320 -3.111 -6.060 473 HD11 ILE 55 3HD1 ILE 55 -0.574 -1.702 -1.041 474 HD12 ILE 55 1HD1 ILE 55 -1.956 -2.284 -1.968 475 HD13 ILE 55 2HD1 ILE 55 -1.127 -0.806 -2.455 476 H TYR 56 H TYR 56 0.834 -4.993 -4.593 477 HA TYR 56 HA TYR 56 0.515 -5.804 -7.401 478 HB2 TYR 56 1HB TYR 56 2.874 -6.186 -6.370 479 HB3 TYR 56 2HB TYR 56 2.100 -7.505 -5.502 480 HD1 TYR 56 HD1 TYR 56 2.666 -6.186 -8.940 481 HD2 TYR 56 HD2 TYR 56 1.871 -9.593 -6.518 482 HE1 TYR 56 HE1 TYR 56 2.987 -7.642 -10.893 483 HE2 TYR 56 HE2 TYR 56 2.190 -11.059 -8.467 484 HH TYR 56 HH TYR 56 2.078 -10.115 -11.521 485 H HIS 57 H HIS 57 -1.108 -7.187 -7.757 486 HA HIS 57 HA HIS 57 -2.247 -8.642 -5.463 487 HB2 HIS 57 1HB HIS 57 -3.734 -7.082 -7.585 488 HB3 HIS 57 2HB HIS 57 -4.510 -8.235 -6.507 489 HD1 HIS 57 HD1 HIS 57 -5.122 -5.131 -6.601 490 HD2 HIS 57 HD2 HIS 57 -2.698 -7.054 -3.836 491 HE1 HIS 57 HE1 HIS 57 -5.081 -3.628 -4.588 492 HE2 HIS 57 HE2 HIS 57 -3.432 -4.716 -3.023 493 H LEU 58 H LEU 58 -1.708 -10.712 -5.913 494 HA LEU 58 HA LEU 58 -1.490 -11.746 -8.557 495 HB2 LEU 58 1HB LEU 58 -1.101 -12.715 -5.843 496 HB3 LEU 58 2HB LEU 58 -1.805 -13.936 -6.883 497 HG LEU 58 HG LEU 58 0.446 -12.601 -8.154 498 HD11 LEU 58 1HD1 LEU 58 1.170 -14.279 -5.780 499 HD12 LEU 58 2HD1 LEU 58 1.016 -12.528 -5.648 500 HD13 LEU 58 3HD1 LEU 58 2.197 -13.228 -6.755 501 HD21 LEU 58 3HD2 LEU 58 -0.782 -14.823 -8.666 502 HD22 LEU 58 1HD2 LEU 58 0.262 -15.495 -7.412 503 HD23 LEU 58 2HD2 LEU 58 0.972 -14.751 -8.846 504 H HIS 59 H HIS 59 -4.061 -11.731 -6.155 505 HA HIS 59 HA HIS 59 -5.726 -13.676 -7.272 506 HB2 HIS 59 1HB HIS 59 -7.600 -12.293 -6.148 507 HB3 HIS 59 2HB HIS 59 -6.350 -12.991 -5.125 508 HD1 HIS 59 HD1 HIS 59 -7.527 -9.699 -6.507 509 HD2 HIS 59 HD2 HIS 59 -4.797 -11.161 -3.736 510 HE1 HIS 59 HE1 HIS 59 -6.729 -7.688 -5.225 511 HE2 HIS 59 HE2 HIS 59 -5.106 -8.601 -3.527 512 HA PRO 60 HA PRO 60 -7.101 -12.027 -11.129 513 HB2 PRO 60 1HB PRO 60 -9.692 -13.306 -10.462 514 HB3 PRO 60 2HB PRO 60 -8.658 -13.499 -11.880 515 HG2 PRO 60 1HG PRO 60 -8.777 -15.400 -10.018 516 HG3 PRO 60 2HG PRO 60 -7.240 -14.996 -10.807 517 HD2 PRO 60 1HD PRO 60 -8.237 -14.229 -8.089 518 HD3 PRO 60 2HD PRO 60 -6.604 -14.708 -8.598 519 H THR 61 H THR 61 -8.695 -11.291 -8.147 520 HA THR 61 HA THR 61 -10.833 -9.731 -9.007 521 HB THR 61 HB THR 61 -9.393 -8.664 -6.671 522 HG1 THR 61 HG1 THR 61 -9.593 -10.482 -5.437 523 HG21 THR 61 3HG2 THR 61 -12.149 -9.406 -7.405 524 HG22 THR 61 1HG2 THR 61 -11.540 -8.005 -6.523 525 HG23 THR 61 2HG2 THR 61 -11.710 -9.558 -5.703 526 H PHE 62 H PHE 62 -7.497 -9.166 -9.445 527 HA PHE 62 HA PHE 62 -8.075 -6.431 -10.346 528 HB2 PHE 62 1HB PHE 62 -6.360 -7.162 -8.164 529 HB3 PHE 62 2HB PHE 62 -5.381 -6.486 -9.462 530 HD1 PHE 62 HD1 PHE 62 -8.666 -5.741 -7.837 531 HD2 PHE 62 HD2 PHE 62 -4.960 -4.252 -9.305 532 HE1 PHE 62 HE1 PHE 62 -9.304 -3.471 -7.133 533 HE2 PHE 62 HE2 PHE 62 -5.590 -1.981 -8.605 534 HZ PHE 62 HZ PHE 62 -7.763 -1.587 -7.516 535 H ALA 63 H ALA 63 -7.820 -6.510 -12.484 536 HA ALA 63 HA ALA 63 -6.310 -8.434 -13.870 537 HB1 ALA 63 3HB ALA 63 -6.737 -7.094 -15.856 538 HB2 ALA 63 1HB ALA 63 -7.235 -5.735 -14.847 539 HB3 ALA 63 2HB ALA 63 -8.192 -7.218 -14.865 540 H ASN 64 H ASN 64 -5.594 -5.014 -13.147 541 HA ASN 64 HA ASN 64 -2.767 -5.575 -13.762 542 HB2 ASN 64 1HB ASN 64 -4.400 -3.723 -15.013 543 HB3 ASN 64 2HB ASN 64 -3.522 -2.751 -13.836 544 HD21 ASN 64 2HD2 ASN 64 -2.968 -5.277 -16.270 545 HD22 ASN 64 1HD2 ASN 64 -1.465 -4.638 -16.833 546 HA PRO 65 HA PRO 65 -1.778 -4.687 -9.543 547 HB2 PRO 65 1HB PRO 65 0.645 -3.348 -10.624 548 HB3 PRO 65 2HB PRO 65 0.516 -4.664 -9.452 549 HG2 PRO 65 1HG PRO 65 1.316 -5.134 -11.948 550 HG3 PRO 65 2HG PRO 65 0.263 -6.280 -11.095 551 HD2 PRO 65 1HD PRO 65 -0.424 -4.282 -13.212 552 HD3 PRO 65 2HD PRO 65 -1.041 -5.930 -12.973 553 H ASN 66 H ASN 66 -1.126 -2.846 -8.109 554 HA ASN 66 HA ASN 66 -2.503 -0.428 -8.976 555 HB2 ASN 66 1HB ASN 66 -2.521 -1.786 -6.601 556 HB3 ASN 66 2HB ASN 66 -1.390 -0.485 -6.249 557 HD21 ASN 66 2HD2 ASN 66 -4.593 -1.379 -6.348 558 HD22 ASN 66 1HD2 ASN 66 -5.311 0.189 -6.264 559 H ARG 67 H ARG 67 -1.604 1.637 -8.946 560 HA ARG 67 HA ARG 67 1.262 1.888 -8.430 561 HB2 ARG 67 1HB ARG 67 0.518 3.371 -10.823 562 HB3 ARG 67 2HB ARG 67 1.901 2.330 -10.538 563 HG2 ARG 67 1HG ARG 67 0.843 1.260 -12.272 564 HG3 ARG 67 2HG ARG 67 0.196 0.399 -10.876 565 HD2 ARG 67 1HD ARG 67 -1.482 1.075 -12.643 566 HD3 ARG 67 2HD ARG 67 -1.861 1.559 -10.993 567 HE ARG 67 HE ARG 67 -1.674 3.754 -11.620 568 HH11 ARG 67 1HH1 ARG 67 -0.281 1.752 -14.130 569 HH12 ARG 67 2HH1 ARG 67 -0.109 3.060 -15.251 570 HH21 ARG 67 1HH2 ARG 67 -1.446 5.478 -13.103 571 HH22 ARG 67 2HH2 ARG 67 -0.769 5.175 -14.667 572 H THR 68 H THR 68 1.836 3.832 -7.576 573 HA THR 68 HA THR 68 -0.174 5.974 -7.610 574 HB THR 68 HB THR 68 1.453 5.676 -5.140 575 HG1 THR 68 HG1 THR 68 0.715 3.778 -4.730 576 HG21 THR 68 3HG2 THR 68 -1.475 6.238 -5.420 577 HG22 THR 68 1HG2 THR 68 -0.237 7.490 -5.533 578 HG23 THR 68 2HG2 THR 68 -0.420 6.562 -4.044 579 H PHE 69 H PHE 69 0.830 7.317 -8.979 580 HA PHE 69 HA PHE 69 3.555 8.211 -8.295 581 HB2 PHE 69 1HB PHE 69 3.020 7.069 -10.597 582 HB3 PHE 69 2HB PHE 69 2.329 8.634 -11.005 583 HD1 PHE 69 HD2 PHE 69 3.912 10.695 -10.529 584 HD2 PHE 69 HD1 PHE 69 5.235 6.683 -11.056 585 HE1 PHE 69 HE2 PHE 69 6.148 11.517 -11.147 586 HE2 PHE 69 HE1 PHE 69 7.471 7.498 -11.675 587 HZ PHE 69 HZ PHE 69 7.930 9.917 -11.723 588 H THR 70 H THR 70 0.438 9.274 -9.654 589 HA THR 70 HA THR 70 0.635 11.764 -8.160 590 HB THR 70 HB THR 70 -0.204 12.924 -10.380 591 HG1 THR 70 HG1 THR 70 1.469 10.891 -11.428 592 HG21 THR 70 3HG2 THR 70 2.718 12.281 -10.177 593 HG22 THR 70 1HG2 THR 70 1.903 13.443 -9.130 594 HG23 THR 70 2HG2 THR 70 1.960 13.714 -10.872 595 H ASP 71 H ASP 71 -1.028 9.440 -7.883 596 HA ASP 71 HA ASP 71 -3.667 10.664 -8.346 597 HB2 ASP 71 1HB ASP 71 -2.798 7.832 -8.878 598 HB3 ASP 71 2HB ASP 71 -4.484 8.215 -8.549 599 HA PRO 72 HA PRO 72 -4.627 10.007 -4.087 600 HB2 PRO 72 1HB PRO 72 -7.171 8.965 -4.210 601 HB3 PRO 72 2HB PRO 72 -6.788 10.679 -4.405 602 HG2 PRO 72 1HG PRO 72 -7.299 8.602 -6.495 603 HG3 PRO 72 2HG PRO 72 -7.856 10.284 -6.426 604 HD2 PRO 72 1HD PRO 72 -5.797 9.549 -7.980 605 HD3 PRO 72 2HD PRO 72 -5.823 11.119 -7.154 606 HA PRO 73 HA PRO 73 -3.952 5.876 -2.656 607 HB2 PRO 73 1HB PRO 73 -5.859 5.497 -0.722 608 HB3 PRO 73 2HB PRO 73 -4.390 6.449 -0.489 609 HG2 PRO 73 1HG PRO 73 -7.159 7.375 -1.155 610 HG3 PRO 73 2HG PRO 73 -6.002 8.051 0.009 611 HD2 PRO 73 1HD PRO 73 -6.368 9.166 -2.397 612 HD3 PRO 73 2HD PRO 73 -4.756 9.095 -1.652 613 H PHE 74 H PHE 74 -5.028 3.692 -2.218 614 HA PHE 74 HA PHE 74 -7.445 3.318 -3.837 615 HB2 PHE 74 1HB PHE 74 -4.746 2.317 -4.419 616 HB3 PHE 74 2HB PHE 74 -5.993 1.074 -4.454 617 HD1 PHE 74 HD2 PHE 74 -7.903 1.286 -6.006 618 HD2 PHE 74 HD1 PHE 74 -4.600 3.968 -6.115 619 HE1 PHE 74 HE2 PHE 74 -8.572 2.012 -8.258 620 HE2 PHE 74 HE1 PHE 74 -5.265 4.701 -8.368 621 HZ PHE 74 HZ PHE 74 -7.253 3.721 -9.442 622 H ARG 75 H ARG 75 -8.715 2.845 -2.094 623 HA ARG 75 HA ARG 75 -8.042 0.420 -0.589 624 HB2 ARG 75 1HB ARG 75 -9.332 1.346 1.297 625 HB3 ARG 75 2HB ARG 75 -7.946 2.342 0.886 626 HG2 ARG 75 1HG ARG 75 -10.174 3.302 -0.584 627 HG3 ARG 75 2HG ARG 75 -10.672 3.092 1.096 628 HD2 ARG 75 1HD ARG 75 -8.959 4.522 1.878 629 HD3 ARG 75 2HD ARG 75 -8.135 4.503 0.320 630 HE ARG 75 HE ARG 75 -10.421 6.112 1.072 631 HH11 ARG 75 1HH1 ARG 75 -8.455 4.880 -1.550 632 HH12 ARG 75 2HH1 ARG 75 -8.970 6.093 -2.674 633 HH21 ARG 75 1HH2 ARG 75 -11.107 7.701 -0.411 634 HH22 ARG 75 2HH2 ARG 75 -10.480 7.697 -2.025 635 H ILE 76 H ILE 76 -9.240 -1.194 -1.332 636 HA ILE 76 HA ILE 76 -12.128 -0.767 -1.672 637 HB ILE 76 HB ILE 76 -10.512 -2.481 -3.561 638 HG12 ILE 76 1HG1 ILE 76 -9.925 -0.075 -3.808 639 HG13 ILE 76 2HG1 ILE 76 -10.741 -0.726 -5.226 640 HG21 ILE 76 1HG2 ILE 76 -13.285 -1.419 -3.988 641 HG22 ILE 76 2HG2 ILE 76 -12.999 -2.914 -3.101 642 HG23 ILE 76 3HG2 ILE 76 -12.481 -2.772 -4.781 643 HD11 ILE 76 3HD1 ILE 76 -12.611 0.427 -3.346 644 HD12 ILE 76 1HD1 ILE 76 -12.382 0.758 -5.061 645 HD13 ILE 76 2HD1 ILE 76 -11.387 1.585 -3.864 646 H GLU 77 H GLU 77 -13.172 -2.070 -0.305 647 HA GLU 77 HA GLU 77 -12.120 -4.784 0.129 648 HB2 GLU 77 1HB GLU 77 -12.797 -4.655 2.492 649 HB3 GLU 77 2HB GLU 77 -11.569 -3.460 2.098 650 HG2 GLU 77 1HG GLU 77 -13.109 -1.689 2.178 651 HG3 GLU 77 2HG GLU 77 -14.491 -2.778 2.115 652 H GLU 78 H GLU 78 -13.566 -6.380 -0.133 653 HA GLU 78 HA GLU 78 -16.390 -5.952 0.315 654 HB2 GLU 78 1HB GLU 78 -15.249 -6.309 -2.441 655 HB3 GLU 78 2HB GLU 78 -16.873 -6.867 -2.065 656 HG2 GLU 78 1HG GLU 78 -17.181 -4.443 -1.147 657 HG3 GLU 78 2HG GLU 78 -15.806 -4.090 -2.192 658 H GLN 79 H GLN 79 -17.616 -8.048 -0.532 659 HA GLN 79 HA GLN 79 -16.048 -10.377 0.375 660 HB2 GLN 79 1HB GLN 79 -19.052 -10.179 0.511 661 HB3 GLN 79 2HB GLN 79 -17.992 -11.285 1.373 662 HG2 GLN 79 1HG GLN 79 -18.013 -9.919 3.106 663 HG3 GLN 79 2HG GLN 79 -17.231 -8.682 2.126 664 HE21 GLN 79 2HE2 GLN 79 -18.489 -7.064 1.177 665 HE22 GLN 79 1HE2 GLN 79 -20.104 -6.740 1.696 666 H GLY 80 H GLY 80 -15.882 -12.098 -0.970 667 HA2 GLY 80 1HA GLY 80 -17.769 -13.064 -2.739 668 HA3 GLY 80 2HA GLY 80 -16.837 -11.890 -3.654 669 H TRP 81 H TRP 81 -15.542 -12.997 -4.965 670 HA TRP 81 HA TRP 81 -13.974 -15.204 -3.810 671 HB2 TRP 81 1HB TRP 81 -13.969 -16.290 -5.996 672 HB3 TRP 81 2HB TRP 81 -15.618 -16.029 -5.443 673 HD1 TRP 81 HD1 TRP 81 -16.855 -13.759 -6.618 674 HE1 TRP 81 HE1 TRP 81 -16.711 -12.987 -9.069 675 HE3 TRP 81 HE3 TRP 81 -12.590 -16.221 -8.000 676 HZ2 TRP 81 HZ2 TRP 81 -15.018 -13.376 -11.297 677 HZ3 TRP 81 HZ3 TRP 81 -11.778 -15.969 -10.309 678 HH2 TRP 81 HH2 TRP 81 -12.968 -14.574 -11.922 679 H GLY 82 H GLY 82 -11.968 -14.538 -3.484 680 HA2 GLY 82 1HA GLY 82 -10.180 -13.886 -5.498 681 HA3 GLY 82 2HA GLY 82 -10.767 -12.358 -4.863 682 H GLY 83 H GLY 83 -8.698 -15.067 -4.345 683 HA2 GLY 83 1HA GLY 83 -7.529 -13.681 -2.056 684 HA3 GLY 83 2HA GLY 83 -8.103 -15.315 -1.783 685 H PHE 84 H PHE 84 -5.502 -13.410 -2.742 686 HA PHE 84 HA PHE 84 -3.846 -15.738 -3.177 687 HB2 PHE 84 1HB PHE 84 -4.611 -13.903 -5.392 688 HB3 PHE 84 2HB PHE 84 -2.935 -14.418 -5.326 689 HD1 PHE 84 HD1 PHE 84 -2.463 -16.929 -5.278 690 HD2 PHE 84 HD2 PHE 84 -6.251 -15.282 -6.309 691 HE1 PHE 84 HE1 PHE 84 -3.067 -19.029 -6.405 692 HE2 PHE 84 HE2 PHE 84 -6.860 -17.381 -7.436 693 HZ PHE 84 HZ PHE 84 -5.267 -19.259 -7.485 694 HA PRO 85 HA PRO 85 -0.573 -13.346 -1.412 695 HB2 PRO 85 1HB PRO 85 1.126 -13.669 -3.824 696 HB3 PRO 85 2HB PRO 85 1.443 -14.143 -2.151 697 HG2 PRO 85 1HG PRO 85 0.854 -15.968 -4.004 698 HG3 PRO 85 2HG PRO 85 0.241 -16.116 -2.346 699 HD2 PRO 85 1HD PRO 85 -1.179 -15.211 -4.819 700 HD3 PRO 85 2HD PRO 85 -1.767 -16.229 -3.488 701 H LEU 86 H LEU 86 0.853 -11.426 -1.656 702 HA LEU 86 HA LEU 86 0.170 -9.615 -3.844 703 HB2 LEU 86 1HB LEU 86 -0.017 -8.642 -1.006 704 HB3 LEU 86 2HB LEU 86 -0.580 -7.854 -2.467 705 HG LEU 86 HG LEU 86 -2.203 -9.922 -2.598 706 HD11 LEU 86 1HD1 LEU 86 -0.882 -10.620 -0.322 707 HD12 LEU 86 2HD1 LEU 86 -2.488 -11.182 -0.775 708 HD13 LEU 86 3HD1 LEU 86 -2.309 -9.813 0.321 709 HD21 LEU 86 3HD2 LEU 86 -2.355 -7.345 -1.195 710 HD22 LEU 86 1HD2 LEU 86 -3.588 -8.518 -0.738 711 HD23 LEU 86 2HD2 LEU 86 -3.414 -8.035 -2.423 712 H ASP 87 H ASP 87 1.467 -7.479 -3.541 713 HA ASP 87 HA ASP 87 3.907 -7.683 -2.036 714 HB2 ASP 87 1HB ASP 87 4.358 -9.123 -4.036 715 HB3 ASP 87 2HB ASP 87 4.128 -7.702 -5.052 716 H ILE 88 H ILE 88 4.179 -5.695 -1.293 717 HA ILE 88 HA ILE 88 3.357 -3.414 -2.968 718 HB ILE 88 HB ILE 88 3.827 -3.389 0.014 719 HG12 ILE 88 1HG1 ILE 88 1.186 -3.212 -0.090 720 HG13 ILE 88 2HG1 ILE 88 1.408 -4.107 -1.591 721 HG21 ILE 88 1HG2 ILE 88 1.990 -1.454 -1.187 722 HG22 ILE 88 2HG2 ILE 88 3.659 -1.301 -1.735 723 HG23 ILE 88 3HG2 ILE 88 3.284 -1.218 -0.014 724 HD11 ILE 88 3HD1 ILE 88 2.792 -5.137 0.811 725 HD12 ILE 88 1HD1 ILE 88 2.033 -6.001 -0.526 726 HD13 ILE 88 2HD1 ILE 88 1.037 -5.298 0.747 727 H SER 89 H SER 89 4.829 -1.949 -3.635 728 HA SER 89 HA SER 89 7.490 -1.976 -2.383 729 HB2 SER 89 1HB SER 89 8.545 -1.708 -4.562 730 HB3 SER 89 2HB SER 89 7.571 -3.178 -4.548 731 HG SER 89 HG SER 89 6.922 -2.250 -6.369 732 H VAL 90 H VAL 90 7.967 -0.079 -1.555 733 HA VAL 90 HA VAL 90 6.621 2.314 -2.606 734 HB VAL 90 HB VAL 90 7.977 1.950 0.069 735 HG11 VAL 90 1HG1 VAL 90 7.079 4.265 -1.311 736 HG12 VAL 90 2HG1 VAL 90 7.767 4.142 0.307 737 HG13 VAL 90 3HG1 VAL 90 6.024 4.001 0.076 738 HG21 VAL 90 3HG2 VAL 90 5.014 2.123 -0.284 739 HG22 VAL 90 1HG2 VAL 90 5.949 1.433 1.043 740 HG23 VAL 90 2HG2 VAL 90 5.833 0.577 -0.493 741 H PHE 91 H PHE 91 7.740 4.019 -3.388 742 HA PHE 91 HA PHE 91 10.655 4.082 -3.056 743 HB2 PHE 91 1HB PHE 91 9.141 4.226 -5.659 744 HB3 PHE 91 2HB PHE 91 10.781 4.846 -5.490 745 HD1 PHE 91 HD1 PHE 91 12.619 3.272 -4.857 746 HD2 PHE 91 HD2 PHE 91 8.726 1.927 -5.931 747 HE1 PHE 91 HE1 PHE 91 13.514 1.018 -5.270 748 HE2 PHE 91 HE2 PHE 91 9.614 -0.328 -6.345 749 HZ PHE 91 HZ PHE 91 12.012 -0.785 -6.013 750 H LEU 92 H LEU 92 11.602 6.163 -3.194 751 HA LEU 92 HA LEU 92 9.788 8.450 -3.381 752 HB2 LEU 92 1HB LEU 92 9.796 7.906 -1.027 753 HB3 LEU 92 2HB LEU 92 11.547 7.845 -1.007 754 HG LEU 92 HG LEU 92 11.377 10.349 -1.738 755 HD11 LEU 92 1HD1 LEU 92 9.365 11.396 -0.624 756 HD12 LEU 92 2HD1 LEU 92 8.649 9.784 -0.616 757 HD13 LEU 92 3HD1 LEU 92 9.066 10.555 -2.146 758 HD21 LEU 92 3HD2 LEU 92 11.803 9.044 0.647 759 HD22 LEU 92 1HD2 LEU 92 10.549 10.218 1.048 760 HD23 LEU 92 2HD2 LEU 92 12.069 10.762 0.341 761 H LEU 93 H LEU 93 13.166 7.954 -2.305 762 HA LEU 93 HA LEU 93 14.016 9.676 -4.540 763 HB2 LEU 93 1HB LEU 93 14.001 10.480 -1.919 764 HB3 LEU 93 2HB LEU 93 15.633 9.872 -2.087 765 HG LEU 93 HG LEU 93 15.464 12.300 -2.464 766 HD11 LEU 93 1HD1 LEU 93 17.349 11.568 -3.492 767 HD12 LEU 93 2HD1 LEU 93 16.472 12.142 -4.910 768 HD13 LEU 93 3HD1 LEU 93 16.487 10.423 -4.516 769 HD21 LEU 93 3HD2 LEU 93 13.927 11.612 -4.961 770 HD22 LEU 93 1HD2 LEU 93 14.346 13.216 -4.359 771 HD23 LEU 93 2HD2 LEU 93 13.185 12.221 -3.482 772 H GLU 94 H GLU 94 15.815 8.052 -1.920 773 HA GLU 94 HA GLU 94 17.032 6.266 -3.898 774 HB2 GLU 94 1HB GLU 94 19.262 6.688 -2.691 775 HB3 GLU 94 2HB GLU 94 18.699 7.898 -3.831 776 HG2 GLU 94 1HG GLU 94 17.678 9.022 -1.715 777 HG3 GLU 94 2HG GLU 94 18.844 8.021 -0.855 778 H LYS 95 H LYS 95 17.122 7.053 -0.402 779 HA LYS 95 HA LYS 95 16.389 4.309 0.211 780 HB2 LYS 95 1HB LYS 95 18.274 3.927 1.702 781 HB3 LYS 95 2HB LYS 95 18.839 4.233 0.066 782 HG2 LYS 95 1HG LYS 95 18.681 6.628 1.742 783 HG3 LYS 95 2HG LYS 95 19.821 5.409 2.314 784 HD2 LYS 95 1HD LYS 95 21.050 5.466 0.305 785 HD3 LYS 95 2HD LYS 95 19.771 6.335 -0.545 786 HE2 LYS 95 1HE LYS 95 20.798 8.241 -0.046 787 HE3 LYS 95 2HE LYS 95 20.466 7.933 1.657 788 HZ1 LYS 95 3HZ LYS 95 22.935 7.541 0.141 789 HZ2 LYS 95 1HZ LYS 95 22.606 6.443 1.388 790 HZ3 LYS 95 2HZ LYS 95 22.716 8.097 1.722 791 H ALA 96 H ALA 96 15.227 7.025 0.563 792 HA ALA 96 HA ALA 96 15.330 7.586 3.387 793 HB1 ALA 96 3HB ALA 96 13.088 8.859 2.285 794 HB2 ALA 96 1HB ALA 96 14.326 8.885 1.029 795 HB3 ALA 96 2HB ALA 96 14.668 9.564 2.621 796 H GLY 97 H GLY 97 13.150 5.956 1.157 797 HA2 GLY 97 1HA GLY 97 11.960 4.455 3.311 798 HA3 GLY 97 2HA GLY 97 10.855 5.600 2.563 799 H GLU 98 H GLU 98 13.422 3.810 0.952 800 HA GLU 98 HA GLU 98 11.487 2.742 -0.937 801 HB2 GLU 98 1HB GLU 98 14.503 2.837 -0.875 802 HB3 GLU 98 2HB GLU 98 13.620 1.924 -2.090 803 HG2 GLU 98 1HG GLU 98 14.357 4.176 -2.830 804 HG3 GLU 98 2HG GLU 98 12.623 3.900 -2.967 805 H ARG 99 H ARG 99 10.433 1.119 0.181 806 HA ARG 99 HA ARG 99 12.009 -1.308 0.618 807 HB2 ARG 99 1HB ARG 99 11.102 0.285 2.730 808 HB3 ARG 99 2HB ARG 99 9.958 -1.047 2.649 809 HG2 ARG 99 1HG ARG 99 11.435 -2.520 3.446 810 HG3 ARG 99 2HG ARG 99 12.751 -1.882 2.455 811 HD2 ARG 99 1HD ARG 99 11.750 -0.316 4.796 812 HD3 ARG 99 2HD ARG 99 12.847 -1.672 5.053 813 HE ARG 99 HE ARG 99 13.491 0.895 3.929 814 HH11 ARG 99 1HH1 ARG 99 14.431 -2.473 4.084 815 HH12 ARG 99 2HH1 ARG 99 16.093 -2.155 3.723 816 HH21 ARG 99 1HH2 ARG 99 15.684 1.310 3.445 817 HH22 ARG 99 2HH2 ARG 99 16.805 -0.008 3.362 818 H LYS 100 H LYS 100 10.916 -3.217 0.258 819 HA LYS 100 HA LYS 100 8.081 -3.038 -0.481 820 HB2 LYS 100 1HB LYS 100 8.460 -4.499 -2.417 821 HB3 LYS 100 2HB LYS 100 9.338 -2.985 -2.569 822 HG2 LYS 100 1HG LYS 100 11.122 -4.742 -1.335 823 HG3 LYS 100 2HG LYS 100 10.321 -5.689 -2.590 824 HD2 LYS 100 1HD LYS 100 11.213 -4.458 -4.278 825 HD3 LYS 100 2HD LYS 100 11.209 -2.966 -3.336 826 HE2 LYS 100 1HE LYS 100 13.454 -3.357 -3.410 827 HE3 LYS 100 2HE LYS 100 13.051 -4.256 -1.950 828 HZ1 LYS 100 3HZ LYS 100 14.456 -5.308 -3.907 829 HZ2 LYS 100 1HZ LYS 100 12.916 -5.699 -4.488 830 HZ3 LYS 100 2HZ LYS 100 13.407 -6.238 -2.962 831 H ILE 101 H ILE 101 6.859 -4.610 0.387 832 HA ILE 101 HA ILE 101 8.187 -7.056 1.338 833 HB ILE 101 HB ILE 101 6.097 -5.591 2.947 834 HG12 ILE 101 1HG1 ILE 101 8.405 -5.494 4.429 835 HG13 ILE 101 2HG1 ILE 101 9.011 -5.226 2.798 836 HG21 ILE 101 1HG2 ILE 101 6.704 -7.128 4.719 837 HG22 ILE 101 2HG2 ILE 101 7.923 -7.873 3.684 838 HG23 ILE 101 3HG2 ILE 101 6.213 -8.020 3.281 839 HD11 ILE 101 3HD1 ILE 101 7.055 -3.585 4.362 840 HD12 ILE 101 1HD1 ILE 101 7.207 -3.437 2.611 841 HD13 ILE 101 2HD1 ILE 101 8.591 -3.097 3.648 842 HA PRO 102 HA PRO 102 4.653 -8.875 -0.690 843 HB2 PRO 102 1HB PRO 102 5.231 -11.452 -0.238 844 HB3 PRO 102 2HB PRO 102 6.195 -10.473 -1.352 845 HG2 PRO 102 1HG PRO 102 6.783 -11.263 1.472 846 HG3 PRO 102 2HG PRO 102 7.874 -11.200 0.076 847 HD2 PRO 102 1HD PRO 102 7.700 -9.240 2.004 848 HD3 PRO 102 2HD PRO 102 8.282 -8.970 0.350 849 H HIS 103 H HIS 103 2.636 -9.564 -0.091 850 HA HIS 103 HA HIS 103 2.239 -10.339 2.724 851 HB2 HIS 103 1HB HIS 103 0.893 -8.222 1.112 852 HB3 HIS 103 2HB HIS 103 -0.090 -9.123 2.259 853 HD1 HIS 103 HD1 HIS 103 3.375 -8.615 3.386 854 HD2 HIS 103 HD2 HIS 103 -0.249 -6.593 3.646 855 HE1 HIS 103 HE1 HIS 103 3.683 -6.913 5.208 856 HE2 HIS 103 HE2 HIS 103 1.439 -5.792 5.433 857 H ASP 104 H ASP 104 -0.053 -11.286 3.022 858 HA ASP 104 HA ASP 104 -0.683 -13.032 0.732 859 HB2 ASP 104 1HB ASP 104 -0.376 -13.685 3.644 860 HB3 ASP 104 2HB ASP 104 -1.467 -14.639 2.645 861 H LEU 105 H LEU 105 -2.818 -13.347 0.235 862 HA LEU 105 HA LEU 105 -4.844 -12.202 2.009 863 HB2 LEU 105 1HB LEU 105 -4.256 -10.428 0.435 864 HB3 LEU 105 2HB LEU 105 -4.525 -11.509 -0.916 865 HG LEU 105 HG LEU 105 -6.935 -11.625 -0.268 866 HD11 LEU 105 1HD1 LEU 105 -6.640 -9.181 1.371 867 HD12 LEU 105 2HD1 LEU 105 -6.223 -10.716 2.132 868 HD13 LEU 105 3HD1 LEU 105 -7.834 -10.473 1.462 869 HD21 LEU 105 3HD2 LEU 105 -7.260 -9.054 -0.827 870 HD22 LEU 105 1HD2 LEU 105 -6.688 -10.208 -2.029 871 HD23 LEU 105 2HD2 LEU 105 -5.537 -9.176 -1.181 872 H ASN 106 H ASN 106 -4.969 -14.627 2.271 873 HA ASN 106 HA ASN 106 -7.254 -15.615 0.949 874 HB2 ASN 106 1HB ASN 106 -5.592 -15.899 -0.904 875 HB3 ASN 106 2HB ASN 106 -4.689 -17.001 0.129 876 HD21 ASN 106 2HD2 ASN 106 -8.191 -16.665 -0.387 877 HD22 ASN 106 1HD2 ASN 106 -8.428 -18.281 -0.947 878 H PHE 107 H PHE 107 -6.514 -15.338 3.621 879 HA PHE 107 HA PHE 107 -6.637 -18.129 4.491 880 HB2 PHE 107 1HB PHE 107 -4.726 -16.078 5.635 881 HB3 PHE 107 2HB PHE 107 -5.020 -17.672 6.320 882 HD1 PHE 107 HD1 PHE 107 -4.258 -19.690 5.133 883 HD2 PHE 107 HD2 PHE 107 -3.352 -15.784 3.706 884 HE1 PHE 107 HE1 PHE 107 -2.507 -20.627 3.682 885 HE2 PHE 107 HE2 PHE 107 -1.598 -16.715 2.255 886 HZ PHE 107 HZ PHE 107 -1.174 -19.140 2.240 887 H LEU 108 H LEU 108 -7.989 -18.496 6.181 888 HA LEU 108 HA LEU 108 -10.005 -16.757 6.874 889 HB2 LEU 108 1HB LEU 108 -8.899 -19.246 8.045 890 HB3 LEU 108 2HB LEU 108 -9.921 -18.285 9.096 891 HG LEU 108 HG LEU 108 -11.519 -18.367 6.951 892 HD11 LEU 108 1HD1 LEU 108 -10.143 -21.040 6.853 893 HD12 LEU 108 2HD1 LEU 108 -9.792 -19.731 5.723 894 HD13 LEU 108 3HD1 LEU 108 -11.411 -20.428 5.790 895 HD21 LEU 108 3HD2 LEU 108 -11.189 -20.101 9.329 896 HD22 LEU 108 1HD2 LEU 108 -12.308 -20.651 8.082 897 HD23 LEU 108 2HD2 LEU 108 -12.543 -19.080 8.847 898 H GLN 109 H GLN 109 -10.021 -14.912 7.958 899 HA GLN 109 HA GLN 109 -9.486 -13.217 9.373 900 HB2 GLN 109 1HB GLN 109 -9.480 -15.590 10.912 901 HB3 GLN 109 2HB GLN 109 -8.105 -14.641 11.454 902 HG2 GLN 109 1HG GLN 109 -9.462 -12.836 12.091 903 HG3 GLN 109 2HG GLN 109 -10.844 -13.451 11.188 904 HE21 GLN 109 2HE2 GLN 109 -8.713 -14.239 13.902 905 HE22 GLN 109 1HE2 GLN 109 -9.918 -15.040 14.845 906 H GLU 110 H GLU 110 -7.951 -12.453 7.809 907 HA GLU 110 HA GLU 110 -5.139 -12.886 8.558 908 HB2 GLU 110 1HB GLU 110 -5.752 -13.515 6.225 909 HB3 GLU 110 2HB GLU 110 -6.232 -11.850 5.937 910 HG2 GLU 110 1HG GLU 110 -4.146 -11.659 5.135 911 HG3 GLU 110 2HG GLU 110 -3.722 -11.459 6.835 912 H SER 111 H SER 111 -3.920 -11.217 9.169 913 HA SER 111 HA SER 111 -4.979 -8.494 8.888 914 HB2 SER 111 1HB SER 111 -4.342 -7.963 11.186 915 HB3 SER 111 2HB SER 111 -5.473 -9.312 11.172 916 HG SER 111 HG SER 111 -3.485 -10.660 11.245 917 H TYR 112 H TYR 112 -3.434 -8.700 7.062 918 HA TYR 112 HA TYR 112 -0.635 -8.377 7.893 919 HB2 TYR 112 1HB TYR 112 -1.932 -9.660 5.623 920 HB3 TYR 112 2HB TYR 112 -0.692 -8.522 5.112 921 HD1 TYR 112 HD1 TYR 112 1.650 -8.794 6.023 922 HD2 TYR 112 HD2 TYR 112 -1.353 -11.768 6.507 923 HE1 TYR 112 HE1 TYR 112 3.388 -10.461 6.502 924 HE2 TYR 112 HE2 TYR 112 0.380 -13.446 6.990 925 HH TYR 112 HH TYR 112 3.351 -13.282 6.207 926 H GLU 113 H GLU 113 0.113 -6.382 7.978 927 HA GLU 113 HA GLU 113 -0.529 -4.456 5.929 928 HB2 GLU 113 1HB GLU 113 -1.693 -2.899 7.202 929 HB3 GLU 113 2HB GLU 113 -2.388 -4.425 7.706 930 HG2 GLU 113 1HG GLU 113 -0.339 -4.080 9.499 931 HG3 GLU 113 2HG GLU 113 -0.926 -2.437 9.248 932 H VAL 114 H VAL 114 0.744 -2.499 6.046 933 HA VAL 114 HA VAL 114 3.013 -2.568 7.904 934 HB VAL 114 HB VAL 114 3.492 -2.017 4.986 935 HG11 VAL 114 1HG1 VAL 114 5.803 -2.957 5.906 936 HG12 VAL 114 2HG1 VAL 114 5.142 -2.352 7.425 937 HG13 VAL 114 3HG1 VAL 114 5.348 -1.260 6.055 938 HG21 VAL 114 3HG2 VAL 114 2.826 -4.202 4.750 939 HG22 VAL 114 1HG2 VAL 114 3.353 -4.654 6.371 940 HG23 VAL 114 2HG2 VAL 114 4.542 -4.405 5.094 941 H GLU 115 H GLU 115 4.092 -0.578 8.191 942 HA GLU 115 HA GLU 115 2.860 1.791 6.989 943 HB2 GLU 115 1HB GLU 115 3.416 1.615 9.951 944 HB3 GLU 115 2HB GLU 115 2.595 2.907 9.088 945 HG2 GLU 115 1HG GLU 115 0.853 1.127 8.478 946 HG3 GLU 115 2HG GLU 115 1.594 0.166 9.757 947 H HIS 116 H HIS 116 4.510 2.696 5.938 948 HA HIS 116 HA HIS 116 7.134 2.835 7.281 949 HB2 HIS 116 1HB HIS 116 6.335 2.430 4.445 950 HB3 HIS 116 2HB HIS 116 7.783 3.384 4.738 951 HD1 HIS 116 HD1 HIS 116 8.790 1.670 7.209 952 HD2 HIS 116 HD2 HIS 116 7.607 0.177 3.515 953 HE1 HIS 116 HE1 HIS 116 9.930 -0.561 6.987 954 HE2 HIS 116 HE2 HIS 116 9.229 -1.429 4.729 955 H VAL 117 H VAL 117 7.806 4.766 7.921 956 HA VAL 117 HA VAL 117 6.464 7.160 6.870 957 HB VAL 117 HB VAL 117 7.386 8.319 8.869 958 HG11 VAL 117 1HG1 VAL 117 5.146 6.895 8.682 959 HG12 VAL 117 2HG1 VAL 117 5.619 7.727 10.162 960 HG13 VAL 117 3HG1 VAL 117 5.923 6.000 9.987 961 HG21 VAL 117 3HG2 VAL 117 8.152 5.574 9.849 962 HG22 VAL 117 1HG2 VAL 117 8.416 7.120 10.656 963 HG23 VAL 117 2HG2 VAL 117 9.303 6.730 9.183 964 H ILE 118 H ILE 118 7.632 8.962 6.173 965 HA ILE 118 HA ILE 118 10.539 8.661 5.882 966 HB ILE 118 HB ILE 118 8.859 9.650 3.587 967 HG12 ILE 118 1HG1 ILE 118 10.012 6.866 3.794 968 HG13 ILE 118 2HG1 ILE 118 8.342 7.231 4.214 969 HG21 ILE 118 1HG2 ILE 118 11.123 8.670 2.516 970 HG22 ILE 118 2HG2 ILE 118 11.720 9.158 4.101 971 HG23 ILE 118 3HG2 ILE 118 10.937 10.340 3.051 972 HD11 ILE 118 3HD1 ILE 118 7.722 7.189 2.090 973 HD12 ILE 118 1HD1 ILE 118 9.323 6.549 1.718 974 HD13 ILE 118 2HD1 ILE 118 9.021 8.284 1.616 975 H GLN 119 H GLN 119 11.517 10.418 6.655 976 HA GLN 119 HA GLN 119 10.199 13.034 6.342 977 HB2 GLN 119 1HB GLN 119 10.948 11.665 8.795 978 HB3 GLN 119 2HB GLN 119 11.730 13.234 8.664 979 HG2 GLN 119 1HG GLN 119 9.228 13.919 7.979 980 HG3 GLN 119 2HG GLN 119 8.890 12.554 9.041 981 HE21 GLN 119 2HE2 GLN 119 10.259 12.622 11.124 982 HE22 GLN 119 1HE2 GLN 119 10.306 14.151 11.927 983 H ILE 120 H ILE 120 11.431 14.229 5.025 984 HA ILE 120 HA ILE 120 14.288 14.433 5.566 985 HB ILE 120 HB ILE 120 14.817 14.271 3.110 986 HG12 ILE 120 1HG1 ILE 120 12.458 12.548 2.657 987 HG13 ILE 120 2HG1 ILE 120 12.126 14.274 2.733 988 HG21 ILE 120 1HG2 ILE 120 13.785 11.628 4.020 989 HG22 ILE 120 2HG2 ILE 120 15.036 12.441 4.961 990 HG23 ILE 120 3HG2 ILE 120 15.326 12.039 3.269 991 HD11 ILE 120 3HD1 ILE 120 14.326 13.251 0.998 992 HD12 ILE 120 1HD1 ILE 120 13.376 14.730 0.852 993 HD13 ILE 120 2HD1 ILE 120 12.648 13.173 0.459 994 HA PRO 121 HA PRO 121 12.213 18.456 4.409 995 HB2 PRO 121 1HB PRO 121 12.762 19.808 6.675 996 HB3 PRO 121 2HB PRO 121 11.353 18.752 6.528 997 HG2 PRO 121 1HG PRO 121 14.000 18.205 7.811 998 HG3 PRO 121 2HG PRO 121 12.373 17.807 8.393 999 HD2 PRO 121 1HD PRO 121 14.007 16.006 7.160 1000 HD3 PRO 121 2HD PRO 121 12.236 15.923 7.091 1001 H LEU 122 H LEU 122 14.422 17.874 3.137 1002 HA LEU 122 HA LEU 122 15.931 20.255 3.106 1003 HB2 LEU 122 1HB LEU 122 16.803 18.564 5.086 1004 HB3 LEU 122 2HB LEU 122 17.845 18.126 3.746 1005 HG LEU 122 HG LEU 122 17.513 20.957 4.735 1006 HD11 LEU 122 1HD1 LEU 122 19.433 18.802 5.540 1007 HD12 LEU 122 2HD1 LEU 122 18.492 19.892 6.558 1008 HD13 LEU 122 3HD1 LEU 122 19.870 20.507 5.646 1009 HD21 LEU 122 3HD2 LEU 122 18.407 21.246 2.665 1010 HD22 LEU 122 1HD2 LEU 122 19.109 19.629 2.619 1011 HD23 LEU 122 2HD2 LEU 122 19.896 20.906 3.545 1012 H ASN 123 H ASN 123 16.572 16.787 2.507 1013 HA ASN 123 HA ASN 123 17.853 17.243 0.018 1014 HB2 ASN 123 1HB ASN 123 17.921 15.178 1.645 1015 HB3 ASN 123 2HB ASN 123 16.570 14.618 0.667 1016 HD21 ASN 123 2HD2 ASN 123 16.918 14.321 -1.605 1017 HD22 ASN 123 1HD2 ASN 123 18.502 13.973 -2.200 Start of MODEL 9 1 H1 MET 1 1H MET 1 10.728 27.617 -0.290 2 H2 MET 1 2H MET 1 9.944 28.461 -1.562 3 H3 MET 1 3H MET 1 9.817 26.752 -1.454 4 HA MET 1 HA MET 1 8.855 28.587 0.631 5 HB2 MET 1 1HB MET 1 7.674 27.749 -1.962 6 HB3 MET 1 2HB MET 1 6.604 27.696 -0.568 7 HG2 MET 1 1HG MET 1 8.225 30.139 -1.140 8 HG3 MET 1 2HG MET 1 6.718 29.837 -2.001 9 HE1 MET 1 3HE MET 1 5.359 31.388 -1.581 10 HE2 MET 1 1HE MET 1 4.926 32.190 -0.070 11 HE3 MET 1 2HE MET 1 4.138 30.680 -0.523 12 H VAL 2 H VAL 2 8.002 27.561 2.352 13 HA VAL 2 HA VAL 2 7.929 25.851 3.885 14 HB VAL 2 HB VAL 2 6.122 24.192 3.328 15 HG11 VAL 2 1HG1 VAL 2 5.355 27.058 2.812 16 HG12 VAL 2 2HG1 VAL 2 5.764 26.420 4.403 17 HG13 VAL 2 3HG1 VAL 2 4.365 25.790 3.534 18 HG21 VAL 2 3HG2 VAL 2 5.862 25.807 0.791 19 HG22 VAL 2 1HG2 VAL 2 4.826 24.481 1.314 20 HG23 VAL 2 2HG2 VAL 2 6.504 24.167 0.878 21 H ALA 3 H ALA 3 10.230 25.310 3.250 22 HA ALA 3 HA ALA 3 10.724 22.981 1.673 23 HB1 ALA 3 3HB ALA 3 12.359 24.855 2.113 24 HB2 ALA 3 1HB ALA 3 13.000 23.223 2.300 25 HB3 ALA 3 2HB ALA 3 12.580 24.174 3.725 26 H THR 4 H THR 4 9.184 21.512 2.664 27 HA THR 4 HA THR 4 10.402 20.011 4.841 28 HB THR 4 HB THR 4 7.855 19.850 5.705 29 HG1 THR 4 HG1 THR 4 7.159 21.446 4.185 30 HG21 THR 4 3HG2 THR 4 9.853 21.956 6.486 31 HG22 THR 4 1HG2 THR 4 9.608 20.373 7.221 32 HG23 THR 4 2HG2 THR 4 8.369 21.618 7.379 33 H VAL 5 H VAL 5 10.146 17.849 4.592 34 HA VAL 5 HA VAL 5 8.141 16.930 2.643 35 HB VAL 5 HB VAL 5 10.927 15.776 2.835 36 HG11 VAL 5 1HG1 VAL 5 8.658 15.381 0.892 37 HG12 VAL 5 2HG1 VAL 5 9.328 14.193 2.009 38 HG13 VAL 5 3HG1 VAL 5 10.293 14.766 0.647 39 HG21 VAL 5 3HG2 VAL 5 9.888 18.066 1.279 40 HG22 VAL 5 1HG2 VAL 5 10.897 16.915 0.403 41 HG23 VAL 5 2HG2 VAL 5 11.524 17.723 1.840 42 H LYS 6 H LYS 6 6.788 15.541 3.542 43 HA LYS 6 HA LYS 6 7.811 13.564 5.448 44 HB2 LYS 6 1HB LYS 6 5.898 15.704 6.018 45 HB3 LYS 6 2HB LYS 6 5.282 14.108 6.423 46 HG2 LYS 6 1HG LYS 6 7.030 13.705 7.947 47 HG3 LYS 6 2HG LYS 6 7.973 15.071 7.346 48 HD2 LYS 6 1HD LYS 6 5.258 15.492 8.546 49 HD3 LYS 6 2HD LYS 6 6.679 15.315 9.576 50 HE2 LYS 6 1HE LYS 6 6.694 17.581 9.318 51 HE3 LYS 6 2HE LYS 6 7.659 17.128 7.914 52 HZ1 LYS 6 3HZ LYS 6 5.578 18.745 7.759 53 HZ2 LYS 6 1HZ LYS 6 4.773 17.277 7.522 54 HZ3 LYS 6 2HZ LYS 6 6.030 17.728 6.486 55 H ARG 7 H ARG 7 7.261 11.588 4.819 56 HA ARG 7 HA ARG 7 4.720 11.184 3.396 57 HB2 ARG 7 1HB ARG 7 7.430 10.128 2.582 58 HB3 ARG 7 2HB ARG 7 5.916 9.504 1.945 59 HG2 ARG 7 1HG ARG 7 6.262 10.993 0.315 60 HG3 ARG 7 2HG ARG 7 5.608 12.151 1.477 61 HD2 ARG 7 1HD ARG 7 7.712 12.949 2.054 62 HD3 ARG 7 2HD ARG 7 8.533 11.511 1.447 63 HE ARG 7 HE ARG 7 7.759 13.841 -0.054 64 HH11 ARG 7 1HH1 ARG 7 8.529 10.439 -0.278 65 HH12 ARG 7 2HH1 ARG 7 9.064 10.548 -1.920 66 HH21 ARG 7 1HH2 ARG 7 8.463 13.982 -2.205 67 HH22 ARG 7 2HH2 ARG 7 9.039 12.562 -3.013 68 H THR 8 H THR 8 4.151 8.826 3.262 69 HA THR 8 HA THR 8 5.294 6.927 5.004 70 HB THR 8 HB THR 8 4.458 8.202 6.837 71 HG1 THR 8 HG1 THR 8 2.474 6.234 6.368 72 HG21 THR 8 3HG2 THR 8 2.069 8.800 7.065 73 HG22 THR 8 1HG2 THR 8 1.837 8.350 5.376 74 HG23 THR 8 2HG2 THR 8 2.910 9.685 5.794 75 H ILE 9 H ILE 9 4.692 4.971 4.299 76 HA ILE 9 HA ILE 9 2.269 4.805 2.638 77 HB ILE 9 HB ILE 9 4.345 4.304 1.422 78 HG12 ILE 9 1HG1 ILE 9 3.252 1.598 1.480 79 HG13 ILE 9 2HG1 ILE 9 1.993 2.829 1.447 80 HG21 ILE 9 1HG2 ILE 9 5.153 3.058 3.744 81 HG22 ILE 9 2HG2 ILE 9 5.982 3.004 2.190 82 HG23 ILE 9 3HG2 ILE 9 4.862 1.717 2.636 83 HD11 ILE 9 3HD1 ILE 9 2.281 3.010 -0.731 84 HD12 ILE 9 1HD1 ILE 9 3.623 1.869 -0.676 85 HD13 ILE 9 2HD1 ILE 9 3.924 3.592 -0.452 86 H ARG 10 H ARG 10 0.608 3.808 3.536 87 HA ARG 10 HA ARG 10 1.134 1.587 5.391 88 HB2 ARG 10 1HB ARG 10 -0.940 2.332 6.636 89 HB3 ARG 10 2HB ARG 10 0.472 3.363 6.812 90 HG2 ARG 10 1HG ARG 10 -0.703 5.108 6.133 91 HG3 ARG 10 2HG ARG 10 -1.036 4.308 4.597 92 HD2 ARG 10 1HD ARG 10 -3.096 3.590 5.257 93 HD3 ARG 10 2HD ARG 10 -2.626 3.462 6.952 94 HE ARG 10 HE ARG 10 -2.663 6.173 6.178 95 HH11 ARG 10 1HH1 ARG 10 -4.849 3.517 6.826 96 HH12 ARG 10 2HH1 ARG 10 -6.140 4.544 7.348 97 HH21 ARG 10 1HH2 ARG 10 -4.373 7.525 6.863 98 HH22 ARG 10 2HH2 ARG 10 -5.873 6.818 7.367 99 H ILE 11 H ILE 11 0.408 -0.225 4.512 100 HA ILE 11 HA ILE 11 -2.087 -0.126 2.944 101 HB ILE 11 HB ILE 11 -1.258 -2.145 1.739 102 HG12 ILE 11 1HG1 ILE 11 1.556 -1.685 2.260 103 HG13 ILE 11 2HG1 ILE 11 0.710 -2.136 3.737 104 HG21 ILE 11 1HG2 ILE 11 0.679 -0.750 0.572 105 HG22 ILE 11 2HG2 ILE 11 -0.024 0.542 1.544 106 HG23 ILE 11 3HG2 ILE 11 -1.024 -0.336 0.386 107 HD11 ILE 11 3HD1 ILE 11 0.407 -3.711 1.212 108 HD12 ILE 11 1HD1 ILE 11 0.061 -4.200 2.870 109 HD13 ILE 11 2HD1 ILE 11 1.732 -3.995 2.339 110 H LYS 12 H LYS 12 -3.737 -1.280 3.693 111 HA LYS 12 HA LYS 12 -3.205 -3.275 5.790 112 HB2 LYS 12 1HB LYS 12 -4.952 -1.055 5.723 113 HB3 LYS 12 2HB LYS 12 -5.966 -2.489 5.666 114 HG2 LYS 12 1HG LYS 12 -5.789 -2.150 7.922 115 HG3 LYS 12 2HG LYS 12 -4.462 -3.282 7.647 116 HD2 LYS 12 1HD LYS 12 -3.709 -1.485 9.074 117 HD3 LYS 12 2HD LYS 12 -2.904 -1.367 7.509 118 HE2 LYS 12 1HE LYS 12 -3.868 0.608 7.024 119 HE3 LYS 12 2HE LYS 12 -5.421 0.130 7.708 120 HZ1 LYS 12 3HZ LYS 12 -3.149 1.449 8.994 121 HZ2 LYS 12 1HZ LYS 12 -4.062 0.379 9.936 122 HZ3 LYS 12 2HZ LYS 12 -4.807 1.707 9.202 123 H THR 13 H THR 13 -3.330 -5.293 5.080 124 HA THR 13 HA THR 13 -5.393 -5.965 3.084 125 HB THR 13 HB THR 13 -2.667 -7.229 3.467 126 HG1 THR 13 HG1 THR 13 -3.719 -5.503 1.488 127 HG21 THR 13 3HG2 THR 13 -3.693 -9.017 2.569 128 HG22 THR 13 1HG2 THR 13 -3.438 -8.117 1.075 129 HG23 THR 13 2HG2 THR 13 -5.004 -8.064 1.882 130 H GLN 14 H GLN 14 -6.986 -6.643 4.462 131 HA GLN 14 HA GLN 14 -6.340 -8.979 6.136 132 HB2 GLN 14 1HB GLN 14 -8.296 -8.178 7.594 133 HB3 GLN 14 2HB GLN 14 -6.766 -7.324 7.733 134 HG2 GLN 14 1HG GLN 14 -7.581 -5.418 6.790 135 HG3 GLN 14 2HG GLN 14 -8.762 -6.277 5.804 136 HE21 GLN 14 2HE2 GLN 14 -10.246 -4.617 6.522 137 HE22 GLN 14 1HE2 GLN 14 -11.022 -4.775 8.057 138 H GLN 15 H GLN 15 -7.884 -10.619 6.261 139 HA GLN 15 HA GLN 15 -10.169 -10.411 4.426 140 HB2 GLN 15 1HB GLN 15 -8.155 -11.605 3.426 141 HB3 GLN 15 2HB GLN 15 -8.426 -12.869 4.618 142 HG2 GLN 15 1HG GLN 15 -10.407 -13.544 3.633 143 HG3 GLN 15 2HG GLN 15 -10.646 -12.002 2.816 144 HE21 GLN 15 2HE2 GLN 15 -10.233 -15.033 2.117 145 HE22 GLN 15 1HE2 GLN 15 -9.215 -14.947 0.725 146 H HIS 16 H HIS 16 -11.771 -12.208 4.774 147 HA HIS 16 HA HIS 16 -11.714 -13.632 7.265 148 HB2 HIS 16 1HB HIS 16 -12.297 -11.327 8.027 149 HB3 HIS 16 2HB HIS 16 -13.725 -11.384 6.998 150 HD1 HIS 16 HD1 HIS 16 -14.864 -10.937 9.448 151 HD2 HIS 16 HD2 HIS 16 -13.311 -14.728 8.745 152 HE1 HIS 16 HE1 HIS 16 -15.925 -12.428 11.170 153 HE2 HIS 16 HE2 HIS 16 -15.043 -14.734 10.664 154 H ILE 17 H ILE 17 -12.682 -15.505 6.785 155 HA ILE 17 HA ILE 17 -14.611 -15.536 4.599 156 HB ILE 17 HB ILE 17 -12.601 -17.149 4.820 157 HG12 ILE 17 1HG1 ILE 17 -14.877 -17.167 3.378 158 HG13 ILE 17 2HG1 ILE 17 -13.617 -18.377 3.213 159 HG21 ILE 17 1HG2 ILE 17 -14.584 -18.648 6.523 160 HG22 ILE 17 2HG2 ILE 17 -13.118 -17.875 7.123 161 HG23 ILE 17 3HG2 ILE 17 -13.006 -19.218 5.985 162 HD11 ILE 17 3HD1 ILE 17 -16.110 -19.077 3.452 163 HD12 ILE 17 1HD1 ILE 17 -15.817 -18.821 5.173 164 HD13 ILE 17 2HD1 ILE 17 -14.849 -19.994 4.277 165 H LEU 18 H LEU 18 -16.705 -15.785 4.847 166 HA LEU 18 HA LEU 18 -17.962 -17.281 6.875 167 HB2 LEU 18 1HB LEU 18 -17.099 -14.904 7.874 168 HB3 LEU 18 2HB LEU 18 -18.702 -14.463 7.317 169 HG LEU 18 HG LEU 18 -19.372 -16.660 8.661 170 HD11 LEU 18 1HD1 LEU 18 -17.334 -17.432 9.449 171 HD12 LEU 18 2HD1 LEU 18 -17.973 -16.531 10.824 172 HD13 LEU 18 3HD1 LEU 18 -16.738 -15.809 9.792 173 HD21 LEU 18 3HD2 LEU 18 -19.075 -13.821 9.432 174 HD22 LEU 18 1HD2 LEU 18 -19.405 -14.969 10.731 175 HD23 LEU 18 2HD2 LEU 18 -20.513 -14.839 9.365 176 HA PRO 19 HA PRO 19 -20.927 -16.969 3.571 177 HB2 PRO 19 1HB PRO 19 -23.001 -18.217 4.876 178 HB3 PRO 19 2HB PRO 19 -21.679 -19.063 4.064 179 HG2 PRO 19 1HG PRO 19 -22.051 -18.464 6.967 180 HG3 PRO 19 2HG PRO 19 -21.416 -19.928 6.192 181 HD2 PRO 19 1HD PRO 19 -19.804 -18.089 7.336 182 HD3 PRO 19 2HD PRO 19 -19.315 -19.021 5.906 183 H GLU 20 H GLU 20 -22.204 -16.378 6.868 184 HA GLU 20 HA GLU 20 -23.627 -14.815 7.701 185 HB2 GLU 20 1HB GLU 20 -21.700 -13.417 6.526 186 HB3 GLU 20 2HB GLU 20 -23.016 -12.929 5.468 187 HG2 GLU 20 1HG GLU 20 -23.666 -11.432 6.953 188 HG3 GLU 20 2HG GLU 20 -23.927 -12.706 8.141 189 H VAL 21 H VAL 21 -24.616 -16.712 5.681 190 HA VAL 21 HA VAL 21 -26.941 -15.168 4.738 191 HB VAL 21 HB VAL 21 -25.875 -17.604 3.315 192 HG11 VAL 21 1HG1 VAL 21 -27.206 -16.368 1.435 193 HG12 VAL 21 2HG1 VAL 21 -28.014 -15.590 2.796 194 HG13 VAL 21 3HG1 VAL 21 -28.053 -17.346 2.632 195 HG21 VAL 21 3HG2 VAL 21 -25.038 -14.766 3.089 196 HG22 VAL 21 1HG2 VAL 21 -25.234 -15.681 1.596 197 HG23 VAL 21 2HG2 VAL 21 -24.114 -16.246 2.835 198 HA PRO 22 HA PRO 22 -28.864 -18.070 7.662 199 HB2 PRO 22 1HB PRO 22 -31.281 -16.731 6.558 200 HB3 PRO 22 2HB PRO 22 -30.814 -17.006 8.240 201 HG2 PRO 22 1HG PRO 22 -30.613 -14.583 7.138 202 HG3 PRO 22 2HG PRO 22 -29.396 -15.176 8.285 203 HD2 PRO 22 1HD PRO 22 -29.244 -14.935 5.312 204 HD3 PRO 22 2HD PRO 22 -27.982 -14.678 6.533 205 HA PRO 23 HA PRO 23 -31.871 -19.703 4.019 206 HB2 PRO 23 1HB PRO 23 -30.125 -18.676 1.825 207 HB3 PRO 23 2HB PRO 23 -31.877 -18.903 1.856 208 HG2 PRO 23 1HG PRO 23 -30.826 -16.475 2.092 209 HG3 PRO 23 2HG PRO 23 -32.241 -16.948 3.050 210 HD2 PRO 23 1HD PRO 23 -29.399 -16.644 3.889 211 HD3 PRO 23 2HD PRO 23 -30.886 -16.325 4.801 212 H VAL 24 H VAL 24 -31.526 -21.721 3.023 213 HA VAL 24 HA VAL 24 -29.100 -23.031 3.746 214 HB VAL 24 HB VAL 24 -31.205 -24.243 3.839 215 HG11 VAL 24 1HG1 VAL 24 -31.600 -23.152 1.234 216 HG12 VAL 24 2HG1 VAL 24 -32.742 -24.017 2.260 217 HG13 VAL 24 3HG1 VAL 24 -31.708 -24.910 1.145 218 HG21 VAL 24 3HG2 VAL 24 -30.520 -26.307 2.788 219 HG22 VAL 24 1HG2 VAL 24 -29.110 -25.489 3.462 220 HG23 VAL 24 2HG2 VAL 24 -29.415 -25.437 1.725 221 H GLU 25 H GLU 25 -27.554 -21.763 2.568 222 HA GLU 25 HA GLU 25 -27.422 -22.401 -0.306 223 HB2 GLU 25 1HB GLU 25 -27.474 -19.921 0.768 224 HB3 GLU 25 2HB GLU 25 -25.741 -20.213 0.768 225 HG2 GLU 25 1HG GLU 25 -26.010 -19.228 -1.272 226 HG3 GLU 25 2HG GLU 25 -26.160 -20.929 -1.711 227 H ASN 26 H ASN 26 -25.281 -22.750 -1.208 228 HA ASN 26 HA ASN 26 -23.357 -23.799 0.762 229 HB2 ASN 26 1HB ASN 26 -24.223 -24.985 -1.879 230 HB3 ASN 26 2HB ASN 26 -22.750 -25.485 -1.054 231 HD21 ASN 26 2HD2 ASN 26 -26.246 -25.174 -0.635 232 HD22 ASN 26 1HD2 ASN 26 -26.407 -26.496 0.466 233 H PHE 27 H PHE 27 -21.166 -24.275 -0.581 234 HA PHE 27 HA PHE 27 -19.320 -23.384 -1.557 235 HB2 PHE 27 1HB PHE 27 -21.302 -23.064 -3.421 236 HB3 PHE 27 2HB PHE 27 -20.721 -21.415 -3.238 237 HD1 PHE 27 HD1 PHE 27 -18.202 -21.019 -3.498 238 HD2 PHE 27 HD2 PHE 27 -20.165 -24.580 -4.755 239 HE1 PHE 27 HE1 PHE 27 -16.323 -21.521 -5.005 240 HE2 PHE 27 HE2 PHE 27 -18.288 -25.089 -6.262 241 HZ PHE 27 HZ PHE 27 -16.363 -23.557 -6.388 242 HA PRO 28 HA PRO 28 -19.799 -19.771 1.418 243 HB2 PRO 28 1HB PRO 28 -17.191 -20.921 2.262 244 HB3 PRO 28 2HB PRO 28 -18.551 -20.366 3.246 245 HG2 PRO 28 1HG PRO 28 -18.063 -22.967 2.938 246 HG3 PRO 28 2HG PRO 28 -19.724 -22.347 2.977 247 HD2 PRO 28 1HD PRO 28 -18.079 -23.220 0.636 248 HD3 PRO 28 2HD PRO 28 -19.810 -23.460 0.953 249 H VAL 29 H VAL 29 -18.799 -17.808 1.260 250 HA VAL 29 HA VAL 29 -16.541 -17.603 -0.627 251 HB VAL 29 HB VAL 29 -18.575 -15.435 -0.111 252 HG11 VAL 29 1HG1 VAL 29 -16.652 -15.840 -2.397 253 HG12 VAL 29 2HG1 VAL 29 -16.388 -14.755 -1.032 254 HG13 VAL 29 3HG1 VAL 29 -17.721 -14.460 -2.149 255 HG21 VAL 29 3HG2 VAL 29 -18.723 -17.792 -1.896 256 HG22 VAL 29 1HG2 VAL 29 -19.238 -16.247 -2.569 257 HG23 VAL 29 2HG2 VAL 29 -20.011 -16.878 -1.116 258 H ARG 30 H ARG 30 -14.881 -16.123 -0.165 259 HA ARG 30 HA ARG 30 -14.644 -15.458 2.673 260 HB2 ARG 30 1HB ARG 30 -12.466 -15.001 0.660 261 HB3 ARG 30 2HB ARG 30 -12.331 -15.334 2.377 262 HG2 ARG 30 1HG ARG 30 -11.934 -17.452 1.884 263 HG3 ARG 30 2HG ARG 30 -13.582 -17.582 1.271 264 HD2 ARG 30 1HD ARG 30 -12.934 -17.428 -0.904 265 HD3 ARG 30 2HD ARG 30 -11.564 -16.383 -0.536 266 HE ARG 30 HE ARG 30 -10.245 -18.237 -0.410 267 HH11 ARG 30 1HH1 ARG 30 -13.576 -19.256 -0.047 268 HH12 ARG 30 2HH1 ARG 30 -13.198 -20.943 -0.111 269 HH21 ARG 30 1HH2 ARG 30 -9.751 -20.466 -0.490 270 HH22 ARG 30 2HH2 ARG 30 -11.026 -21.632 -0.361 271 H GLN 31 H GLN 31 -13.911 -13.358 3.363 272 HA GLN 31 HA GLN 31 -14.708 -11.204 1.507 273 HB2 GLN 31 1HB GLN 31 -15.579 -11.806 4.198 274 HB3 GLN 31 2HB GLN 31 -14.861 -10.205 4.123 275 HG2 GLN 31 1HG GLN 31 -16.383 -9.659 2.248 276 HG3 GLN 31 2HG GLN 31 -17.148 -11.232 2.463 277 HE21 GLN 31 2HE2 GLN 31 -16.145 -8.520 4.546 278 HE22 GLN 31 1HE2 GLN 31 -17.630 -8.429 5.422 279 H TRP 32 H TRP 32 -12.899 -10.311 0.764 280 HA TRP 32 HA TRP 32 -10.625 -9.937 2.574 281 HB2 TRP 32 1HB TRP 32 -9.323 -9.483 0.507 282 HB3 TRP 32 2HB TRP 32 -10.068 -11.077 0.517 283 HD1 TRP 32 HD1 TRP 32 -11.696 -11.654 -1.432 284 HE1 TRP 32 HE1 TRP 32 -12.513 -10.396 -3.522 285 HE3 TRP 32 HE3 TRP 32 -9.927 -6.988 -0.317 286 HZ2 TRP 32 HZ2 TRP 32 -12.421 -7.772 -4.561 287 HZ3 TRP 32 HZ3 TRP 32 -10.334 -5.161 -1.911 288 HH2 TRP 32 HH2 TRP 32 -11.556 -5.546 -3.990 289 H SER 33 H SER 33 -9.418 -7.934 2.494 290 HA SER 33 HA SER 33 -10.860 -5.571 1.569 291 HB2 SER 33 1HB SER 33 -11.713 -5.714 3.790 292 HB3 SER 33 2HB SER 33 -10.131 -6.125 4.447 293 HG SER 33 HG SER 33 -11.118 -3.786 4.439 294 H ILE 34 H ILE 34 -9.428 -4.419 0.430 295 HA ILE 34 HA ILE 34 -6.622 -4.365 1.347 296 HB ILE 34 HB ILE 34 -7.443 -4.074 -1.536 297 HG12 ILE 34 1HG1 ILE 34 -8.132 -6.303 -0.845 298 HG13 ILE 34 2HG1 ILE 34 -6.698 -6.416 -1.859 299 HG21 ILE 34 1HG2 ILE 34 -4.844 -4.423 -0.084 300 HG22 ILE 34 2HG2 ILE 34 -5.316 -3.173 -1.236 301 HG23 ILE 34 3HG2 ILE 34 -5.001 -4.814 -1.796 302 HD11 ILE 34 3HD1 ILE 34 -7.105 -7.204 0.915 303 HD12 ILE 34 1HD1 ILE 34 -5.619 -6.297 0.643 304 HD13 ILE 34 2HD1 ILE 34 -5.930 -7.773 -0.269 305 H GLU 35 H GLU 35 -5.593 -2.425 1.435 306 HA GLU 35 HA GLU 35 -6.785 -0.079 0.210 307 HB2 GLU 35 1HB GLU 35 -6.836 1.224 2.269 308 HB3 GLU 35 2HB GLU 35 -7.888 -0.178 2.403 309 HG2 GLU 35 1HG GLU 35 -6.173 -1.335 3.707 310 HG3 GLU 35 2HG GLU 35 -5.129 0.078 3.575 311 H ILE 36 H ILE 36 -5.255 1.200 -0.597 312 HA ILE 36 HA ILE 36 -2.506 0.952 0.449 313 HB ILE 36 HB ILE 36 -3.142 1.730 -2.392 314 HG12 ILE 36 1HG1 ILE 36 -2.523 -1.082 -1.461 315 HG13 ILE 36 2HG1 ILE 36 -4.140 -0.520 -1.872 316 HG21 ILE 36 1HG2 ILE 36 -0.751 1.306 -0.810 317 HG22 ILE 36 2HG2 ILE 36 -0.951 2.105 -2.369 318 HG23 ILE 36 3HG2 ILE 36 -0.746 0.354 -2.295 319 HD11 ILE 36 3HD1 ILE 36 -3.362 -1.639 -3.770 320 HD12 ILE 36 1HD1 ILE 36 -1.776 -0.875 -3.678 321 HD13 ILE 36 2HD1 ILE 36 -3.186 0.076 -4.145 322 H VAL 37 H VAL 37 -2.178 2.753 1.651 323 HA VAL 37 HA VAL 37 -3.003 5.343 0.497 324 HB VAL 37 HB VAL 37 -2.616 4.755 3.431 325 HG11 VAL 37 1HG1 VAL 37 -2.331 7.063 3.076 326 HG12 VAL 37 2HG1 VAL 37 -4.000 6.882 3.617 327 HG13 VAL 37 3HG1 VAL 37 -3.650 7.125 1.907 328 HG21 VAL 37 3HG2 VAL 37 -4.993 4.461 1.681 329 HG22 VAL 37 1HG2 VAL 37 -5.236 5.119 3.299 330 HG23 VAL 37 2HG2 VAL 37 -4.505 3.527 3.096 331 H LEU 38 H LEU 38 -1.609 7.129 0.717 332 HA LEU 38 HA LEU 38 0.955 6.956 1.953 333 HB2 LEU 38 1HB LEU 38 2.183 7.266 -0.284 334 HB3 LEU 38 2HB LEU 38 1.693 5.647 0.179 335 HG LEU 38 HG LEU 38 -0.454 6.314 -1.277 336 HD11 LEU 38 1HD1 LEU 38 1.652 8.229 -2.033 337 HD12 LEU 38 2HD1 LEU 38 -0.100 8.344 -2.182 338 HD13 LEU 38 3HD1 LEU 38 0.826 7.420 -3.363 339 HD21 LEU 38 3HD2 LEU 38 0.609 5.143 -3.160 340 HD22 LEU 38 1HD2 LEU 38 0.908 4.338 -1.620 341 HD23 LEU 38 2HD2 LEU 38 2.173 5.312 -2.365 342 H LEU 39 H LEU 39 2.054 8.958 1.992 343 HA LEU 39 HA LEU 39 0.388 11.256 1.524 344 HB2 LEU 39 1HB LEU 39 2.945 10.701 2.876 345 HB3 LEU 39 2HB LEU 39 2.829 12.294 2.158 346 HG LEU 39 HG LEU 39 0.952 11.134 4.219 347 HD11 LEU 39 1HD1 LEU 39 3.266 11.861 4.948 348 HD12 LEU 39 2HD1 LEU 39 1.909 12.642 5.758 349 HD13 LEU 39 3HD1 LEU 39 2.790 13.497 4.490 350 HD21 LEU 39 3HD2 LEU 39 0.326 13.727 4.157 351 HD22 LEU 39 1HD2 LEU 39 -0.492 12.526 3.158 352 HD23 LEU 39 2HD2 LEU 39 0.794 13.518 2.470 353 H ASP 40 H ASP 40 1.225 13.204 0.332 354 HA ASP 40 HA ASP 40 3.221 12.875 -1.681 355 HB2 ASP 40 1HB ASP 40 0.394 12.289 -2.351 356 HB3 ASP 40 2HB ASP 40 1.221 13.370 -3.460 357 H ASP 41 H ASP 41 0.119 14.590 -1.232 358 HA ASP 41 HA ASP 41 0.933 17.057 -2.264 359 HB2 ASP 41 1HB ASP 41 -1.282 16.164 -0.472 360 HB3 ASP 41 2HB ASP 41 -0.969 17.890 -0.613 361 H GLU 42 H GLU 42 1.351 15.659 0.912 362 HA GLU 42 HA GLU 42 2.340 18.168 2.010 363 HB2 GLU 42 1HB GLU 42 2.235 15.493 3.401 364 HB3 GLU 42 2HB GLU 42 2.355 17.085 4.136 365 HG2 GLU 42 1HG GLU 42 0.046 17.443 2.913 366 HG3 GLU 42 2HG GLU 42 -0.006 15.682 3.008 367 H GLY 43 H GLY 43 3.514 15.086 0.830 368 HA2 GLY 43 1HA GLY 43 6.214 15.659 1.783 369 HA3 GLY 43 2HA GLY 43 5.682 14.171 1.023 370 H LYS 44 H LYS 44 5.464 17.567 -0.017 371 HA LYS 44 HA LYS 44 6.095 18.616 -1.929 372 HB2 LYS 44 1HB LYS 44 8.349 16.864 -1.209 373 HB3 LYS 44 2HB LYS 44 8.329 17.383 -2.884 374 HG2 LYS 44 1HG LYS 44 7.956 19.749 -1.858 375 HG3 LYS 44 2HG LYS 44 8.624 19.004 -0.404 376 HD2 LYS 44 1HD LYS 44 10.434 18.164 -2.195 377 HD3 LYS 44 2HD LYS 44 9.927 19.661 -2.980 378 HE2 LYS 44 1HE LYS 44 10.311 20.130 -0.180 379 HE3 LYS 44 2HE LYS 44 11.740 19.341 -0.842 380 HZ1 LYS 44 3HZ LYS 44 12.228 21.113 -2.149 381 HZ2 LYS 44 1HZ LYS 44 11.413 21.945 -0.921 382 HZ3 LYS 44 2HZ LYS 44 10.613 21.569 -2.361 383 H GLU 45 H GLU 45 4.410 18.129 -3.286 384 HA GLU 45 HA GLU 45 3.914 15.706 -4.561 385 HB2 GLU 45 1HB GLU 45 2.704 17.147 -6.288 386 HB3 GLU 45 2HB GLU 45 2.176 17.292 -4.617 387 HG2 GLU 45 1HG GLU 45 4.214 19.216 -5.057 388 HG3 GLU 45 2HG GLU 45 3.063 19.324 -6.387 389 H ILE 46 H ILE 46 6.199 18.230 -5.341 390 HA ILE 46 HA ILE 46 6.738 17.260 -8.002 391 HB ILE 46 HB ILE 46 8.403 19.201 -6.404 392 HG12 ILE 46 1HG1 ILE 46 6.894 20.697 -8.182 393 HG13 ILE 46 2HG1 ILE 46 5.737 19.522 -7.569 394 HG21 ILE 46 1HG2 ILE 46 9.516 19.681 -8.315 395 HG22 ILE 46 2HG2 ILE 46 8.114 19.383 -9.342 396 HG23 ILE 46 3HG2 ILE 46 9.049 18.027 -8.713 397 HD11 ILE 46 3HD1 ILE 46 7.436 20.913 -5.586 398 HD12 ILE 46 1HD1 ILE 46 5.753 20.396 -5.480 399 HD13 ILE 46 2HD1 ILE 46 6.174 21.850 -6.385 400 HA PRO 47 HA PRO 47 9.642 14.209 -6.437 401 HB2 PRO 47 1HB PRO 47 10.224 13.058 -8.803 402 HB3 PRO 47 2HB PRO 47 8.680 12.792 -7.986 403 HG2 PRO 47 1HG PRO 47 9.330 14.641 -10.250 404 HG3 PRO 47 2HG PRO 47 7.928 13.575 -10.044 405 HD2 PRO 47 1HD PRO 47 7.869 16.249 -9.517 406 HD3 PRO 47 2HD PRO 47 6.836 15.070 -8.690 407 H ALA 48 H ALA 48 11.878 13.380 -7.550 408 HA ALA 48 HA ALA 48 13.406 15.677 -8.528 409 HB1 ALA 48 3HB ALA 48 14.302 14.057 -6.150 410 HB2 ALA 48 1HB ALA 48 13.596 15.670 -6.061 411 HB3 ALA 48 2HB ALA 48 15.140 15.428 -6.876 412 H THR 49 H THR 49 13.755 12.267 -7.509 413 HA THR 49 HA THR 49 15.279 11.789 -9.988 414 HB THR 49 HB THR 49 16.242 9.810 -8.538 415 HG1 THR 49 HG1 THR 49 15.782 11.719 -6.507 416 HG21 THR 49 3HG2 THR 49 18.122 11.135 -7.843 417 HG22 THR 49 1HG2 THR 49 17.189 12.620 -8.037 418 HG23 THR 49 2HG2 THR 49 17.600 11.647 -9.447 419 H ILE 50 H ILE 50 13.491 9.960 -7.478 420 HA ILE 50 HA ILE 50 12.256 8.425 -9.667 421 HB ILE 50 HB ILE 50 12.832 7.443 -6.865 422 HG12 ILE 50 1HG1 ILE 50 14.867 7.582 -8.199 423 HG13 ILE 50 2HG1 ILE 50 14.406 5.899 -7.980 424 HG21 ILE 50 1HG2 ILE 50 12.017 5.286 -7.637 425 HG22 ILE 50 2HG2 ILE 50 11.659 5.970 -9.221 426 HG23 ILE 50 3HG2 ILE 50 10.763 6.513 -7.803 427 HD11 ILE 50 3HD1 ILE 50 14.561 5.639 -10.170 428 HD12 ILE 50 1HD1 ILE 50 14.836 7.366 -10.395 429 HD13 ILE 50 2HD1 ILE 50 13.191 6.731 -10.365 430 H PHE 51 H PHE 51 11.371 8.437 -6.224 431 HA PHE 51 HA PHE 51 9.424 8.895 -5.151 432 HB2 PHE 51 1HB PHE 51 9.909 11.189 -5.634 433 HB3 PHE 51 2HB PHE 51 9.346 11.021 -7.290 434 HD1 PHE 51 HD1 PHE 51 8.147 10.819 -3.769 435 HD2 PHE 51 HD2 PHE 51 7.185 11.634 -7.834 436 HE1 PHE 51 HE1 PHE 51 5.920 11.612 -3.079 437 HE2 PHE 51 HE2 PHE 51 4.961 12.428 -7.150 438 HZ PHE 51 HZ PHE 51 4.324 12.419 -4.773 439 H ASP 52 H ASP 52 8.262 7.036 -5.435 440 HA ASP 52 HA ASP 52 5.847 7.160 -6.841 441 HB2 ASP 52 1HB ASP 52 7.808 6.622 -8.631 442 HB3 ASP 52 2HB ASP 52 7.411 4.987 -8.111 443 H LYS 53 H LYS 53 4.501 5.337 -6.444 444 HA LYS 53 HA LYS 53 5.639 3.307 -4.646 445 HB2 LYS 53 1HB LYS 53 2.936 4.525 -4.135 446 HB3 LYS 53 2HB LYS 53 3.924 3.556 -3.052 447 HG2 LYS 53 1HG LYS 53 4.437 5.521 -2.120 448 HG3 LYS 53 2HG LYS 53 5.554 5.683 -3.475 449 HD2 LYS 53 1HD LYS 53 3.199 6.584 -4.549 450 HD3 LYS 53 2HD LYS 53 3.087 7.142 -2.880 451 HE2 LYS 53 1HE LYS 53 5.571 7.581 -4.498 452 HE3 LYS 53 2HE LYS 53 4.198 8.678 -4.624 453 HZ1 LYS 53 3HZ LYS 53 4.548 9.504 -2.564 454 HZ2 LYS 53 1HZ LYS 53 6.141 9.023 -2.879 455 HZ3 LYS 53 2HZ LYS 53 5.133 8.047 -1.935 456 H VAL 54 H VAL 54 5.394 1.429 -5.662 457 HA VAL 54 HA VAL 54 2.934 0.977 -7.222 458 HB VAL 54 HB VAL 54 5.558 -0.485 -7.527 459 HG11 VAL 54 1HG1 VAL 54 3.923 -1.867 -8.422 460 HG12 VAL 54 2HG1 VAL 54 4.456 -0.937 -9.822 461 HG13 VAL 54 3HG1 VAL 54 2.954 -0.512 -9.003 462 HG21 VAL 54 3HG2 VAL 54 4.505 1.661 -9.357 463 HG22 VAL 54 1HG2 VAL 54 6.095 0.902 -9.365 464 HG23 VAL 54 2HG2 VAL 54 5.647 1.993 -8.055 465 H ILE 55 H ILE 55 1.860 -0.998 -7.102 466 HA ILE 55 HA ILE 55 2.622 -2.819 -4.924 467 HB ILE 55 HB ILE 55 -0.213 -1.876 -5.382 468 HG12 ILE 55 1HG1 ILE 55 0.387 -0.957 -2.916 469 HG13 ILE 55 2HG1 ILE 55 1.966 -0.807 -3.679 470 HG21 ILE 55 1HG2 ILE 55 1.074 -3.786 -3.481 471 HG22 ILE 55 2HG2 ILE 55 -0.416 -3.956 -4.411 472 HG23 ILE 55 3HG2 ILE 55 -0.376 -2.905 -2.994 473 HD11 ILE 55 3HD1 ILE 55 1.130 0.673 -5.321 474 HD12 ILE 55 1HD1 ILE 55 0.510 1.230 -3.769 475 HD13 ILE 55 2HD1 ILE 55 -0.541 0.340 -4.869 476 H TYR 56 H TYR 56 1.742 -4.975 -5.135 477 HA TYR 56 HA TYR 56 0.499 -5.631 -7.699 478 HB2 TYR 56 1HB TYR 56 3.277 -6.109 -7.095 479 HB3 TYR 56 2HB TYR 56 2.439 -7.638 -7.320 480 HD1 TYR 56 HD2 TYR 56 0.762 -7.579 -9.456 481 HD2 TYR 56 HD1 TYR 56 4.251 -5.193 -8.962 482 HE1 TYR 56 HE2 TYR 56 0.910 -7.303 -11.895 483 HE2 TYR 56 HE1 TYR 56 4.409 -4.912 -11.399 484 HH TYR 56 HH TYR 56 2.526 -5.033 -13.400 485 H HIS 57 H HIS 57 -0.554 -7.644 -7.763 486 HA HIS 57 HA HIS 57 -0.770 -9.105 -5.226 487 HB2 HIS 57 1HB HIS 57 -3.193 -8.447 -6.903 488 HB3 HIS 57 2HB HIS 57 -3.148 -9.120 -5.279 489 HD1 HIS 57 HD1 HIS 57 -3.341 -7.493 -3.397 490 HD2 HIS 57 HD2 HIS 57 -2.356 -5.642 -6.982 491 HE1 HIS 57 HE1 HIS 57 -3.424 -5.026 -2.923 492 HE2 HIS 57 HE2 HIS 57 -2.808 -3.926 -5.102 493 H LEU 58 H LEU 58 -0.202 -11.150 -5.637 494 HA LEU 58 HA LEU 58 -0.018 -12.263 -8.214 495 HB2 LEU 58 1HB LEU 58 0.554 -13.083 -5.525 496 HB3 LEU 58 2HB LEU 58 -0.272 -14.384 -6.360 497 HG LEU 58 HG LEU 58 1.570 -13.726 -8.229 498 HD11 LEU 58 1HD1 LEU 58 2.430 -12.139 -6.249 499 HD12 LEU 58 2HD1 LEU 58 3.508 -12.889 -7.427 500 HD13 LEU 58 3HD1 LEU 58 3.295 -13.619 -5.836 501 HD21 LEU 58 3HD2 LEU 58 0.975 -15.903 -6.780 502 HD22 LEU 58 1HD2 LEU 58 2.561 -15.526 -6.111 503 HD23 LEU 58 2HD2 LEU 58 2.377 -15.800 -7.843 504 H HIS 59 H HIS 59 -2.556 -12.489 -5.753 505 HA HIS 59 HA HIS 59 -4.099 -14.501 -6.887 506 HB2 HIS 59 1HB HIS 59 -6.002 -13.527 -5.646 507 HB3 HIS 59 2HB HIS 59 -4.556 -13.664 -4.654 508 HD1 HIS 59 HD1 HIS 59 -6.289 -10.986 -6.732 509 HD2 HIS 59 HD2 HIS 59 -4.013 -11.393 -3.289 510 HE1 HIS 59 HE1 HIS 59 -6.225 -8.699 -5.703 511 HE2 HIS 59 HE2 HIS 59 -5.011 -9.019 -3.521 512 HA PRO 60 HA PRO 60 -5.553 -12.834 -10.739 513 HB2 PRO 60 1HB PRO 60 -7.917 -14.548 -10.224 514 HB3 PRO 60 2HB PRO 60 -6.830 -14.499 -11.614 515 HG2 PRO 60 1HG PRO 60 -6.694 -16.500 -9.867 516 HG3 PRO 60 2HG PRO 60 -5.216 -15.806 -10.562 517 HD2 PRO 60 1HD PRO 60 -6.437 -15.347 -7.862 518 HD3 PRO 60 2HD PRO 60 -4.729 -15.569 -8.301 519 H THR 61 H THR 61 -7.310 -12.625 -7.763 520 HA THR 61 HA THR 61 -9.670 -11.387 -8.507 521 HB THR 61 HB THR 61 -8.249 -10.346 -6.103 522 HG1 THR 61 HG1 THR 61 -8.036 -12.225 -5.192 523 HG21 THR 61 3HG2 THR 61 -10.668 -9.887 -6.623 524 HG22 THR 61 1HG2 THR 61 -10.325 -10.556 -5.028 525 HG23 THR 61 2HG2 THR 61 -10.967 -11.596 -6.300 526 H PHE 62 H PHE 62 -6.473 -10.200 -8.864 527 HA PHE 62 HA PHE 62 -7.546 -7.535 -9.516 528 HB2 PHE 62 1HB PHE 62 -5.645 -8.151 -7.504 529 HB3 PHE 62 2HB PHE 62 -4.768 -7.360 -8.807 530 HD1 PHE 62 HD1 PHE 62 -6.214 -5.264 -9.810 531 HD2 PHE 62 HD2 PHE 62 -6.340 -6.765 -5.830 532 HE1 PHE 62 HE1 PHE 62 -7.003 -3.074 -9.013 533 HE2 PHE 62 HE2 PHE 62 -7.129 -4.579 -5.026 534 HZ PHE 62 HZ PHE 62 -7.462 -2.729 -6.617 535 H ALA 63 H ALA 63 -7.724 -8.259 -11.685 536 HA ALA 63 HA ALA 63 -5.630 -9.373 -13.187 537 HB1 ALA 63 3HB ALA 63 -7.552 -7.615 -14.591 538 HB2 ALA 63 1HB ALA 63 -8.228 -8.956 -13.669 539 HB3 ALA 63 2HB ALA 63 -7.056 -9.270 -14.948 540 H ASN 64 H ASN 64 -6.489 -6.013 -12.510 541 HA ASN 64 HA ASN 64 -4.261 -5.081 -14.170 542 HB2 ASN 64 1HB ASN 64 -6.650 -3.721 -12.948 543 HB3 ASN 64 2HB ASN 64 -5.268 -2.786 -13.509 544 HD21 ASN 64 2HD2 ASN 64 -7.684 -5.147 -14.523 545 HD22 ASN 64 1HD2 ASN 64 -7.718 -4.666 -16.183 546 HA PRO 65 HA PRO 65 -1.658 -4.930 -10.523 547 HB2 PRO 65 1HB PRO 65 -0.165 -2.993 -12.222 548 HB3 PRO 65 2HB PRO 65 0.421 -4.425 -11.368 549 HG2 PRO 65 1HG PRO 65 0.097 -4.456 -14.009 550 HG3 PRO 65 2HG PRO 65 -0.315 -5.873 -13.026 551 HD2 PRO 65 1HD PRO 65 -2.116 -3.841 -14.274 552 HD3 PRO 65 2HD PRO 65 -2.347 -5.591 -14.088 553 H ASN 66 H ASN 66 -0.810 -3.283 -9.040 554 HA ASN 66 HA ASN 66 -2.515 -0.886 -9.029 555 HB2 ASN 66 1HB ASN 66 -1.328 -2.565 -6.843 556 HB3 ASN 66 2HB ASN 66 -1.754 -0.888 -6.525 557 HD21 ASN 66 2HD2 ASN 66 -3.845 -0.366 -6.179 558 HD22 ASN 66 1HD2 ASN 66 -5.155 -1.490 -6.255 559 H ARG 67 H ARG 67 -1.643 1.094 -9.121 560 HA ARG 67 HA ARG 67 1.166 1.494 -8.435 561 HB2 ARG 67 1HB ARG 67 -0.003 1.837 -11.170 562 HB3 ARG 67 2HB ARG 67 1.274 2.924 -10.641 563 HG2 ARG 67 1HG ARG 67 2.841 1.209 -10.490 564 HG3 ARG 67 2HG ARG 67 1.601 -0.044 -10.453 565 HD2 ARG 67 1HD ARG 67 1.578 -0.207 -12.674 566 HD3 ARG 67 2HD ARG 67 1.426 1.537 -12.866 567 HE ARG 67 HE ARG 67 3.667 1.649 -13.285 568 HH11 ARG 67 1HH1 ARG 67 2.975 -1.441 -11.792 569 HH12 ARG 67 2HH1 ARG 67 4.575 -2.056 -12.031 570 HH21 ARG 67 1HH2 ARG 67 5.777 0.838 -13.595 571 HH22 ARG 67 2HH2 ARG 67 6.168 -0.762 -13.055 572 H THR 68 H THR 68 1.481 3.381 -7.399 573 HA THR 68 HA THR 68 -0.662 5.399 -7.557 574 HB THR 68 HB THR 68 1.027 5.264 -5.116 575 HG1 THR 68 HG1 THR 68 0.058 3.520 -4.310 576 HG21 THR 68 3HG2 THR 68 -0.532 6.854 -4.749 577 HG22 THR 68 1HG2 THR 68 -1.460 5.455 -4.209 578 HG23 THR 68 2HG2 THR 68 -1.712 6.108 -5.826 579 H PHE 69 H PHE 69 0.137 6.926 -8.855 580 HA PHE 69 HA PHE 69 2.881 7.891 -8.422 581 HB2 PHE 69 1HB PHE 69 1.905 7.147 -10.749 582 HB3 PHE 69 2HB PHE 69 1.166 8.740 -10.733 583 HD1 PHE 69 HD1 PHE 69 2.998 10.631 -9.916 584 HD2 PHE 69 HD2 PHE 69 3.820 6.995 -11.971 585 HE1 PHE 69 HE1 PHE 69 5.089 11.597 -10.784 586 HE2 PHE 69 HE2 PHE 69 5.911 7.954 -12.840 587 HZ PHE 69 HZ PHE 69 6.548 10.258 -12.247 588 H THR 70 H THR 70 -0.396 9.126 -9.100 589 HA THR 70 HA THR 70 -0.091 11.210 -7.126 590 HB THR 70 HB THR 70 1.023 12.209 -9.077 591 HG1 THR 70 HG1 THR 70 -0.244 13.550 -7.698 592 HG21 THR 70 3HG2 THR 70 0.317 11.960 -11.149 593 HG22 THR 70 1HG2 THR 70 -1.195 12.775 -10.750 594 HG23 THR 70 2HG2 THR 70 -1.062 11.026 -10.571 595 H ASP 71 H ASP 71 -1.850 8.970 -7.449 596 HA ASP 71 HA ASP 71 -4.437 10.310 -7.901 597 HB2 ASP 71 1HB ASP 71 -3.431 7.626 -8.605 598 HB3 ASP 71 2HB ASP 71 -5.055 7.653 -7.924 599 HA PRO 72 HA PRO 72 -5.791 9.721 -3.750 600 HB2 PRO 72 1HB PRO 72 -8.144 8.290 -4.028 601 HB3 PRO 72 2HB PRO 72 -7.997 10.039 -4.231 602 HG2 PRO 72 1HG PRO 72 -8.045 7.887 -6.305 603 HG3 PRO 72 2HG PRO 72 -8.808 9.487 -6.330 604 HD2 PRO 72 1HD PRO 72 -6.554 8.992 -7.689 605 HD3 PRO 72 2HD PRO 72 -6.829 10.558 -6.898 606 HA PRO 73 HA PRO 73 -4.442 5.764 -2.295 607 HB2 PRO 73 1HB PRO 73 -5.639 5.641 0.138 608 HB3 PRO 73 2HB PRO 73 -4.270 6.704 -0.206 609 HG2 PRO 73 1HG PRO 73 -7.192 7.349 -0.115 610 HG3 PRO 73 2HG PRO 73 -5.822 8.266 0.540 611 HD2 PRO 73 1HD PRO 73 -7.024 8.909 -1.800 612 HD3 PRO 73 2HD PRO 73 -5.295 9.182 -1.508 613 H PHE 74 H PHE 74 -5.091 3.601 -1.950 614 HA PHE 74 HA PHE 74 -7.752 2.998 -2.981 615 HB2 PHE 74 1HB PHE 74 -5.170 1.657 -2.926 616 HB3 PHE 74 2HB PHE 74 -6.468 0.582 -2.422 617 HD1 PHE 74 HD1 PHE 74 -5.133 2.601 -5.176 618 HD2 PHE 74 HD2 PHE 74 -8.158 -0.138 -3.968 619 HE1 PHE 74 HE1 PHE 74 -5.736 2.232 -7.534 620 HE2 PHE 74 HE2 PHE 74 -8.767 -0.511 -6.322 621 HZ PHE 74 HZ PHE 74 -7.554 0.673 -8.109 622 H ARG 75 H ARG 75 -9.296 1.756 -1.904 623 HA ARG 75 HA ARG 75 -8.926 0.604 0.650 624 HB2 ARG 75 1HB ARG 75 -8.809 2.945 1.376 625 HB3 ARG 75 2HB ARG 75 -10.357 3.270 0.612 626 HG2 ARG 75 1HG ARG 75 -11.294 2.832 2.572 627 HG3 ARG 75 2HG ARG 75 -10.879 1.138 2.304 628 HD2 ARG 75 1HD ARG 75 -8.926 1.295 3.593 629 HD3 ARG 75 2HD ARG 75 -8.921 3.057 3.528 630 HE ARG 75 HE ARG 75 -11.215 1.935 4.858 631 HH11 ARG 75 1HH1 ARG 75 -7.909 3.013 5.281 632 HH12 ARG 75 2HH1 ARG 75 -8.108 3.346 6.968 633 HH21 ARG 75 1HH2 ARG 75 -11.467 2.375 7.075 634 HH22 ARG 75 2HH2 ARG 75 -10.126 2.985 7.986 635 H ILE 76 H ILE 76 -9.957 -1.028 -0.659 636 HA ILE 76 HA ILE 76 -12.878 -0.834 -0.544 637 HB ILE 76 HB ILE 76 -11.472 -1.925 -2.984 638 HG12 ILE 76 1HG1 ILE 76 -12.828 0.220 -3.923 639 HG13 ILE 76 2HG1 ILE 76 -12.381 0.822 -2.329 640 HG21 ILE 76 1HG2 ILE 76 -13.859 -1.644 -3.899 641 HG22 ILE 76 2HG2 ILE 76 -14.341 -1.556 -2.205 642 HG23 ILE 76 3HG2 ILE 76 -13.529 -2.997 -2.817 643 HD11 ILE 76 3HD1 ILE 76 -10.008 -0.065 -3.037 644 HD12 ILE 76 1HD1 ILE 76 -10.593 1.518 -3.548 645 HD13 ILE 76 2HD1 ILE 76 -10.671 0.149 -4.657 646 H GLU 77 H GLU 77 -13.927 -2.758 -0.135 647 HA GLU 77 HA GLU 77 -12.304 -5.197 0.042 648 HB2 GLU 77 1HB GLU 77 -13.398 -5.732 2.218 649 HB3 GLU 77 2HB GLU 77 -12.326 -4.341 2.289 650 HG2 GLU 77 1HG GLU 77 -15.097 -3.642 1.703 651 HG3 GLU 77 2HG GLU 77 -14.879 -4.444 3.258 652 H GLU 78 H GLU 78 -13.289 -6.955 -0.783 653 HA GLU 78 HA GLU 78 -16.213 -6.969 -1.010 654 HB2 GLU 78 1HB GLU 78 -14.338 -7.632 -3.286 655 HB3 GLU 78 2HB GLU 78 -16.090 -7.760 -3.326 656 HG2 GLU 78 1HG GLU 78 -15.461 -5.122 -2.532 657 HG3 GLU 78 2HG GLU 78 -14.439 -5.518 -3.913 658 H GLN 79 H GLN 79 -17.054 -9.150 -1.672 659 HA GLN 79 HA GLN 79 -15.522 -11.209 -0.260 660 HB2 GLN 79 1HB GLN 79 -17.657 -12.460 -0.156 661 HB3 GLN 79 2HB GLN 79 -17.742 -10.889 0.626 662 HG2 GLN 79 1HG GLN 79 -19.429 -10.264 -0.664 663 HG3 GLN 79 2HG GLN 79 -18.546 -10.685 -2.130 664 HE21 GLN 79 2HE2 GLN 79 -19.866 -12.571 0.583 665 HE22 GLN 79 1HE2 GLN 79 -20.784 -13.655 -0.399 666 H GLY 80 H GLY 80 -14.591 -12.831 -1.304 667 HA2 GLY 80 1HA GLY 80 -15.677 -14.038 -3.650 668 HA3 GLY 80 2HA GLY 80 -14.329 -12.987 -4.051 669 H TRP 81 H TRP 81 -13.525 -15.152 -4.844 670 HA TRP 81 HA TRP 81 -12.212 -16.614 -2.646 671 HB2 TRP 81 1HB TRP 81 -12.746 -17.705 -5.412 672 HB3 TRP 81 2HB TRP 81 -12.232 -18.598 -3.987 673 HD1 TRP 81 HD1 TRP 81 -14.161 -18.724 -1.950 674 HE1 TRP 81 HE1 TRP 81 -16.710 -18.993 -2.180 675 HE3 TRP 81 HE3 TRP 81 -14.700 -17.228 -6.811 676 HZ2 TRP 81 HZ2 TRP 81 -18.688 -18.620 -4.161 677 HZ3 TRP 81 HZ3 TRP 81 -16.954 -17.213 -7.797 678 HH2 TRP 81 HH2 TRP 81 -18.905 -17.895 -6.497 679 H GLY 82 H GLY 82 -10.162 -15.947 -2.460 680 HA2 GLY 82 1HA GLY 82 -8.261 -16.321 -4.502 681 HA3 GLY 82 2HA GLY 82 -8.685 -14.618 -4.439 682 H GLY 83 H GLY 83 -6.353 -16.590 -3.548 683 HA2 GLY 83 1HA GLY 83 -5.524 -14.884 -1.352 684 HA3 GLY 83 2HA GLY 83 -5.786 -16.567 -0.924 685 H PHE 84 H PHE 84 -3.719 -14.307 -2.529 686 HA PHE 84 HA PHE 84 -1.650 -16.368 -2.719 687 HB2 PHE 84 1HB PHE 84 -2.438 -14.538 -4.994 688 HB3 PHE 84 2HB PHE 84 -0.983 -15.524 -4.970 689 HD1 PHE 84 HD2 PHE 84 -4.672 -15.636 -5.048 690 HD2 PHE 84 HD1 PHE 84 -1.051 -17.831 -5.494 691 HE1 PHE 84 HE2 PHE 84 -5.934 -17.515 -6.010 692 HE2 PHE 84 HE1 PHE 84 -2.310 -19.713 -6.457 693 HZ PHE 84 HZ PHE 84 -4.754 -19.558 -6.716 694 HA PRO 85 HA PRO 85 1.338 -13.532 -1.194 695 HB2 PRO 85 1HB PRO 85 2.773 -13.668 -3.811 696 HB3 PRO 85 2HB PRO 85 3.395 -13.899 -2.172 697 HG2 PRO 85 1HG PRO 85 2.958 -15.994 -3.740 698 HG3 PRO 85 2HG PRO 85 2.551 -16.062 -2.015 699 HD2 PRO 85 1HD PRO 85 0.755 -15.754 -4.378 700 HD3 PRO 85 2HD PRO 85 0.482 -16.628 -2.858 701 H LEU 86 H LEU 86 2.341 -11.403 -1.469 702 HA LEU 86 HA LEU 86 1.260 -9.689 -3.572 703 HB2 LEU 86 1HB LEU 86 0.308 -9.751 -0.828 704 HB3 LEU 86 2HB LEU 86 0.996 -8.189 -1.218 705 HG LEU 86 HG LEU 86 -0.551 -8.222 -3.271 706 HD11 LEU 86 1HD1 LEU 86 -1.566 -10.207 -3.553 707 HD12 LEU 86 2HD1 LEU 86 -2.688 -9.601 -2.335 708 HD13 LEU 86 3HD1 LEU 86 -1.366 -10.667 -1.862 709 HD21 LEU 86 3HD2 LEU 86 -2.347 -8.063 -0.999 710 HD22 LEU 86 1HD2 LEU 86 -1.783 -6.794 -2.084 711 HD23 LEU 86 2HD2 LEU 86 -0.808 -7.262 -0.692 712 H ASP 87 H ASP 87 2.273 -7.470 -3.425 713 HA ASP 87 HA ASP 87 4.642 -7.234 -1.826 714 HB2 ASP 87 1HB ASP 87 6.276 -7.255 -3.526 715 HB3 ASP 87 2HB ASP 87 5.306 -8.694 -3.781 716 H ILE 88 H ILE 88 5.167 -5.186 -1.448 717 HA ILE 88 HA ILE 88 3.939 -3.089 -3.112 718 HB ILE 88 HB ILE 88 4.181 -2.975 -0.103 719 HG12 ILE 88 1HG1 ILE 88 1.544 -3.115 -0.425 720 HG13 ILE 88 2HG1 ILE 88 2.007 -4.004 -1.875 721 HG21 ILE 88 1HG2 ILE 88 2.285 -1.183 -0.726 722 HG22 ILE 88 2HG2 ILE 88 3.258 -1.108 -2.195 723 HG23 ILE 88 3HG2 ILE 88 4.001 -0.788 -0.628 724 HD11 ILE 88 3HD1 ILE 88 2.821 -5.770 -0.703 725 HD12 ILE 88 1HD1 ILE 88 1.587 -5.215 0.427 726 HD13 ILE 88 2HD1 ILE 88 3.277 -4.785 0.686 727 H SER 89 H SER 89 5.349 -1.589 -3.813 728 HA SER 89 HA SER 89 7.939 -1.355 -2.419 729 HB2 SER 89 1HB SER 89 8.938 -0.748 -4.604 730 HB3 SER 89 2HB SER 89 8.250 -2.370 -4.618 731 HG SER 89 HG SER 89 7.605 -1.318 -6.474 732 H VAL 90 H VAL 90 8.682 0.643 -1.891 733 HA VAL 90 HA VAL 90 7.032 2.938 -2.726 734 HB VAL 90 HB VAL 90 8.417 2.821 -0.056 735 HG11 VAL 90 1HG1 VAL 90 7.136 4.689 0.501 736 HG12 VAL 90 2HG1 VAL 90 5.971 4.396 -0.789 737 HG13 VAL 90 3HG1 VAL 90 7.587 4.987 -1.177 738 HG21 VAL 90 3HG2 VAL 90 6.092 1.329 -0.877 739 HG22 VAL 90 1HG2 VAL 90 5.671 2.495 0.372 740 HG23 VAL 90 2HG2 VAL 90 6.944 1.314 0.666 741 H PHE 91 H PHE 91 8.058 4.653 -3.523 742 HA PHE 91 HA PHE 91 10.982 4.837 -3.223 743 HB2 PHE 91 1HB PHE 91 9.415 5.377 -5.758 744 HB3 PHE 91 2HB PHE 91 11.148 5.584 -5.558 745 HD1 PHE 91 HD1 PHE 91 8.514 2.959 -5.229 746 HD2 PHE 91 HD2 PHE 91 12.547 3.890 -6.220 747 HE1 PHE 91 HE1 PHE 91 8.874 0.634 -5.937 748 HE2 PHE 91 HE2 PHE 91 12.914 1.565 -6.928 749 HZ PHE 91 HZ PHE 91 11.076 -0.068 -6.787 750 H LEU 92 H LEU 92 11.845 7.006 -3.552 751 HA LEU 92 HA LEU 92 9.942 9.207 -3.362 752 HB2 LEU 92 1HB LEU 92 11.462 10.100 -1.427 753 HB3 LEU 92 2HB LEU 92 10.136 9.005 -1.090 754 HG LEU 92 HG LEU 92 12.774 7.755 -1.581 755 HD11 LEU 92 1HD1 LEU 92 13.820 9.123 -0.154 756 HD12 LEU 92 2HD1 LEU 92 12.941 8.229 1.084 757 HD13 LEU 92 3HD1 LEU 92 12.315 9.767 0.496 758 HD21 LEU 92 3HD2 LEU 92 10.272 6.994 -0.599 759 HD22 LEU 92 1HD2 LEU 92 11.350 6.987 0.796 760 HD23 LEU 92 2HD2 LEU 92 11.751 6.033 -0.631 761 H LEU 93 H LEU 93 13.400 8.329 -3.291 762 HA LEU 93 HA LEU 93 13.915 10.179 -5.445 763 HB2 LEU 93 1HB LEU 93 14.503 10.856 -2.685 764 HB3 LEU 93 2HB LEU 93 15.954 10.855 -3.669 765 HG LEU 93 HG LEU 93 14.133 12.255 -5.217 766 HD11 LEU 93 1HD1 LEU 93 12.793 13.565 -3.968 767 HD12 LEU 93 2HD1 LEU 93 13.934 13.644 -2.627 768 HD13 LEU 93 3HD1 LEU 93 12.908 12.225 -2.827 769 HD21 LEU 93 3HD2 LEU 93 16.291 13.177 -3.331 770 HD22 LEU 93 1HD2 LEU 93 15.496 14.229 -4.503 771 HD23 LEU 93 2HD2 LEU 93 16.434 12.844 -5.057 772 H GLU 94 H GLU 94 16.236 8.974 -3.042 773 HA GLU 94 HA GLU 94 17.361 7.248 -5.146 774 HB2 GLU 94 1HB GLU 94 18.630 9.058 -3.160 775 HB3 GLU 94 2HB GLU 94 19.462 7.552 -3.519 776 HG2 GLU 94 1HG GLU 94 18.581 8.929 -5.917 777 HG3 GLU 94 2HG GLU 94 19.665 9.905 -4.926 778 H LYS 95 H LYS 95 18.040 7.399 -1.660 779 HA LYS 95 HA LYS 95 16.829 4.773 -1.283 780 HB2 LYS 95 1HB LYS 95 18.844 3.812 -0.303 781 HB3 LYS 95 2HB LYS 95 19.134 4.291 -1.970 782 HG2 LYS 95 1HG LYS 95 19.796 6.326 0.043 783 HG3 LYS 95 2HG LYS 95 20.776 4.861 0.100 784 HD2 LYS 95 1HD LYS 95 21.740 5.262 -1.920 785 HD3 LYS 95 2HD LYS 95 20.306 6.056 -2.569 786 HE2 LYS 95 1HE LYS 95 20.910 8.102 -1.774 787 HE3 LYS 95 2HE LYS 95 21.733 7.433 -0.366 788 HZ1 LYS 95 3HZ LYS 95 22.755 7.939 -3.055 789 HZ2 LYS 95 1HZ LYS 95 23.351 6.571 -2.255 790 HZ3 LYS 95 2HZ LYS 95 23.524 8.103 -1.557 791 H ALA 96 H ALA 96 16.181 7.432 -0.310 792 HA ALA 96 HA ALA 96 17.002 7.593 2.443 793 HB1 ALA 96 3HB ALA 96 14.672 9.149 2.020 794 HB2 ALA 96 1HB ALA 96 15.680 9.301 0.580 795 HB3 ALA 96 2HB ALA 96 16.341 9.698 2.166 796 H GLY 97 H GLY 97 14.156 6.502 0.663 797 HA2 GLY 97 1HA GLY 97 13.330 4.952 2.995 798 HA3 GLY 97 2HA GLY 97 12.177 6.114 2.363 799 H GLU 98 H GLU 98 14.319 4.471 0.166 800 HA GLU 98 HA GLU 98 12.089 3.324 -1.229 801 HB2 GLU 98 1HB GLU 98 14.535 4.202 -2.020 802 HB3 GLU 98 2HB GLU 98 14.822 2.468 -1.964 803 HG2 GLU 98 1HG GLU 98 12.844 2.156 -3.433 804 HG3 GLU 98 2HG GLU 98 12.728 3.909 -3.572 805 H ARG 99 H ARG 99 11.119 1.629 -0.236 806 HA ARG 99 HA ARG 99 12.767 -0.734 0.264 807 HB2 ARG 99 1HB ARG 99 12.283 0.703 2.386 808 HB3 ARG 99 2HB ARG 99 10.673 0.007 2.276 809 HG2 ARG 99 1HG ARG 99 11.379 -2.079 2.846 810 HG3 ARG 99 2HG ARG 99 12.989 -1.844 2.165 811 HD2 ARG 99 1HD ARG 99 12.907 0.002 4.198 812 HD3 ARG 99 2HD ARG 99 12.000 -1.353 4.866 813 HE ARG 99 HE ARG 99 14.821 -1.246 4.332 814 HH11 ARG 99 1HH1 ARG 99 12.064 -3.371 4.716 815 HH12 ARG 99 2HH1 ARG 99 13.024 -4.734 5.185 816 HH21 ARG 99 1HH2 ARG 99 16.082 -3.048 4.944 817 HH22 ARG 99 2HH2 ARG 99 15.306 -4.551 5.313 818 H LYS 100 H LYS 100 11.611 -2.725 0.344 819 HA LYS 100 HA LYS 100 8.924 -2.623 -0.862 820 HB2 LYS 100 1HB LYS 100 11.301 -3.768 -1.926 821 HB3 LYS 100 2HB LYS 100 10.237 -5.094 -1.476 822 HG2 LYS 100 1HG LYS 100 8.427 -3.766 -2.758 823 HG3 LYS 100 2HG LYS 100 9.797 -2.916 -3.476 824 HD2 LYS 100 1HD LYS 100 9.963 -4.580 -4.946 825 HD3 LYS 100 2HD LYS 100 10.448 -5.634 -3.617 826 HE2 LYS 100 1HE LYS 100 7.989 -6.022 -3.194 827 HE3 LYS 100 2HE LYS 100 7.679 -5.195 -4.720 828 HZ1 LYS 100 3HZ LYS 100 7.981 -7.803 -4.565 829 HZ2 LYS 100 1HZ LYS 100 9.610 -7.387 -4.759 830 HZ3 LYS 100 2HZ LYS 100 8.473 -6.923 -5.923 831 H ILE 101 H ILE 101 7.382 -3.946 0.015 832 HA ILE 101 HA ILE 101 8.243 -5.807 2.122 833 HB ILE 101 HB ILE 101 6.112 -5.136 3.364 834 HG12 ILE 101 1HG1 ILE 101 5.420 -3.686 1.284 835 HG13 ILE 101 2HG1 ILE 101 5.039 -3.139 2.911 836 HG21 ILE 101 1HG2 ILE 101 8.243 -4.679 4.298 837 HG22 ILE 101 2HG2 ILE 101 7.280 -3.210 4.455 838 HG23 ILE 101 3HG2 ILE 101 8.508 -3.329 3.196 839 HD11 ILE 101 3HD1 ILE 101 5.858 -1.304 1.591 840 HD12 ILE 101 1HD1 ILE 101 7.325 -2.197 1.195 841 HD13 ILE 101 2HD1 ILE 101 7.026 -1.685 2.854 842 HA PRO 102 HA PRO 102 5.469 -8.309 -0.403 843 HB2 PRO 102 1HB PRO 102 6.373 -10.699 0.413 844 HB3 PRO 102 2HB PRO 102 7.304 -9.688 -0.700 845 HG2 PRO 102 1HG PRO 102 7.644 -10.066 2.251 846 HG3 PRO 102 2HG PRO 102 8.880 -9.987 0.982 847 HD2 PRO 102 1HD PRO 102 8.207 -7.878 2.603 848 HD3 PRO 102 2HD PRO 102 8.900 -7.698 0.980 849 H HIS 103 H HIS 103 3.748 -9.821 0.046 850 HA HIS 103 HA HIS 103 3.037 -10.216 2.850 851 HB2 HIS 103 1HB HIS 103 1.546 -8.521 0.902 852 HB3 HIS 103 2HB HIS 103 0.607 -9.512 2.010 853 HD1 HIS 103 HD1 HIS 103 2.796 -9.046 4.388 854 HD2 HIS 103 HD2 HIS 103 0.749 -6.177 2.190 855 HE1 HIS 103 HE1 HIS 103 2.764 -6.989 5.833 856 HE2 HIS 103 HE2 HIS 103 1.517 -5.265 4.485 857 H ASP 104 H ASP 104 0.979 -11.585 3.001 858 HA ASP 104 HA ASP 104 0.766 -13.455 0.747 859 HB2 ASP 104 1HB ASP 104 1.399 -14.106 3.610 860 HB3 ASP 104 2HB ASP 104 0.558 -15.272 2.596 861 H LEU 105 H LEU 105 -1.255 -12.750 0.147 862 HA LEU 105 HA LEU 105 -3.346 -12.375 2.079 863 HB2 LEU 105 1HB LEU 105 -3.290 -11.032 0.043 864 HB3 LEU 105 2HB LEU 105 -3.436 -12.480 -0.936 865 HG LEU 105 HG LEU 105 -5.677 -12.834 0.319 866 HD11 LEU 105 1HD1 LEU 105 -4.899 -10.726 1.787 867 HD12 LEU 105 2HD1 LEU 105 -6.586 -11.167 1.525 868 HD13 LEU 105 3HD1 LEU 105 -5.843 -9.902 0.547 869 HD21 LEU 105 3HD2 LEU 105 -5.494 -12.307 -2.054 870 HD22 LEU 105 1HD2 LEU 105 -5.357 -10.592 -1.668 871 HD23 LEU 105 2HD2 LEU 105 -6.851 -11.457 -1.316 872 H ASN 106 H ASN 106 -4.564 -13.920 2.929 873 HA ASN 106 HA ASN 106 -5.099 -16.331 1.349 874 HB2 ASN 106 1HB ASN 106 -3.621 -16.166 3.886 875 HB3 ASN 106 2HB ASN 106 -4.915 -17.361 3.885 876 HD21 ASN 106 2HD2 ASN 106 -4.884 -18.289 1.336 877 HD22 ASN 106 1HD2 ASN 106 -3.376 -19.062 1.002 878 H PHE 107 H PHE 107 -6.724 -17.753 2.798 879 HA PHE 107 HA PHE 107 -8.934 -15.927 3.446 880 HB2 PHE 107 1HB PHE 107 -10.355 -18.021 3.030 881 HB3 PHE 107 2HB PHE 107 -9.598 -17.271 1.631 882 HD1 PHE 107 HD2 PHE 107 -9.602 -20.172 3.856 883 HD2 PHE 107 HD1 PHE 107 -7.801 -18.377 0.442 884 HE1 PHE 107 HE2 PHE 107 -8.554 -22.323 3.282 885 HE2 PHE 107 HE1 PHE 107 -6.749 -20.525 -0.136 886 HZ PHE 107 HZ PHE 107 -7.123 -22.500 1.286 887 H LEU 108 H LEU 108 -10.543 -16.801 5.029 888 HA LEU 108 HA LEU 108 -11.161 -17.664 7.042 889 HB2 LEU 108 1HB LEU 108 -9.839 -19.703 6.221 890 HB3 LEU 108 2HB LEU 108 -8.532 -19.111 7.226 891 HG LEU 108 HG LEU 108 -10.558 -19.120 9.029 892 HD11 LEU 108 1HD1 LEU 108 -11.097 -21.748 7.878 893 HD12 LEU 108 2HD1 LEU 108 -11.728 -20.408 6.921 894 HD13 LEU 108 3HD1 LEU 108 -12.197 -20.581 8.610 895 HD21 LEU 108 3HD2 LEU 108 -8.882 -21.534 8.368 896 HD22 LEU 108 1HD2 LEU 108 -9.540 -21.082 9.940 897 HD23 LEU 108 2HD2 LEU 108 -8.273 -20.104 9.200 898 H GLN 109 H GLN 109 -10.527 -15.222 7.204 899 HA GLN 109 HA GLN 109 -9.888 -13.541 8.580 900 HB2 GLN 109 1HB GLN 109 -9.637 -15.926 10.295 901 HB3 GLN 109 2HB GLN 109 -8.707 -14.530 10.820 902 HG2 GLN 109 1HG GLN 109 -10.580 -13.246 11.194 903 HG3 GLN 109 2HG GLN 109 -11.576 -14.189 10.088 904 HE21 GLN 109 2HE2 GLN 109 -11.620 -13.382 13.078 905 HE22 GLN 109 1HE2 GLN 109 -12.064 -14.853 13.867 906 H GLU 110 H GLU 110 -8.293 -12.355 7.801 907 HA GLU 110 HA GLU 110 -5.530 -13.284 8.173 908 HB2 GLU 110 1HB GLU 110 -6.049 -13.590 5.831 909 HB3 GLU 110 2HB GLU 110 -6.684 -11.959 5.717 910 HG2 GLU 110 1HG GLU 110 -4.340 -11.176 6.366 911 HG3 GLU 110 2HG GLU 110 -3.831 -12.829 6.021 912 H SER 111 H SER 111 -4.007 -11.715 8.596 913 HA SER 111 HA SER 111 -4.888 -8.942 8.892 914 HB2 SER 111 1HB SER 111 -5.131 -10.275 11.089 915 HB3 SER 111 2HB SER 111 -3.368 -10.285 11.123 916 HG SER 111 HG SER 111 -3.354 -8.091 11.289 917 H TYR 112 H TYR 112 -3.515 -8.886 6.945 918 HA TYR 112 HA TYR 112 -0.653 -8.765 7.637 919 HB2 TYR 112 1HB TYR 112 -2.062 -9.739 5.195 920 HB3 TYR 112 2HB TYR 112 -0.507 -8.942 4.984 921 HD1 TYR 112 HD1 TYR 112 -2.204 -11.820 6.572 922 HD2 TYR 112 HD2 TYR 112 1.521 -10.045 5.544 923 HE1 TYR 112 HE1 TYR 112 -1.057 -13.926 7.116 924 HE2 TYR 112 HE2 TYR 112 2.679 -12.143 6.083 925 HH TYR 112 HH TYR 112 1.902 -14.714 6.135 926 H GLU 113 H GLU 113 0.112 -6.768 7.729 927 HA GLU 113 HA GLU 113 -0.497 -4.823 5.707 928 HB2 GLU 113 1HB GLU 113 -1.572 -3.184 7.073 929 HB3 GLU 113 2HB GLU 113 -2.467 -4.683 7.242 930 HG2 GLU 113 1HG GLU 113 -2.305 -4.464 9.433 931 HG3 GLU 113 2HG GLU 113 -0.569 -4.724 9.291 932 H VAL 114 H VAL 114 0.768 -2.861 5.908 933 HA VAL 114 HA VAL 114 2.953 -2.979 7.862 934 HB VAL 114 HB VAL 114 4.613 -2.409 6.136 935 HG11 VAL 114 1HG1 VAL 114 3.522 -4.910 6.665 936 HG12 VAL 114 2HG1 VAL 114 5.091 -4.569 5.936 937 HG13 VAL 114 3HG1 VAL 114 3.688 -4.854 4.909 938 HG21 VAL 114 3HG2 VAL 114 2.431 -1.812 4.560 939 HG22 VAL 114 1HG2 VAL 114 3.047 -3.304 3.854 940 HG23 VAL 114 2HG2 VAL 114 4.106 -1.904 4.023 941 H GLU 115 H GLU 115 4.120 -0.970 8.107 942 HA GLU 115 HA GLU 115 2.846 1.418 7.012 943 HB2 GLU 115 1HB GLU 115 3.176 0.886 9.972 944 HB3 GLU 115 2HB GLU 115 2.784 2.459 9.288 945 HG2 GLU 115 1HG GLU 115 0.839 1.014 8.164 946 HG3 GLU 115 2HG GLU 115 1.100 0.052 9.617 947 H HIS 116 H HIS 116 4.511 2.359 6.020 948 HA HIS 116 HA HIS 116 7.104 2.472 7.418 949 HB2 HIS 116 1HB HIS 116 6.396 1.809 4.691 950 HB3 HIS 116 2HB HIS 116 7.520 3.164 4.732 951 HD1 HIS 116 HD1 HIS 116 7.242 -0.463 5.677 952 HD2 HIS 116 HD2 HIS 116 10.114 2.531 5.470 953 HE1 HIS 116 HE1 HIS 116 9.446 -1.625 6.002 954 HE2 HIS 116 HE2 HIS 116 11.144 0.236 6.061 955 H VAL 117 H VAL 117 8.290 4.416 7.385 956 HA VAL 117 HA VAL 117 6.731 6.812 6.665 957 HB VAL 117 HB VAL 117 6.777 6.512 9.109 958 HG11 VAL 117 1HG1 VAL 117 9.630 7.172 9.367 959 HG12 VAL 117 2HG1 VAL 117 9.290 5.541 8.791 960 HG13 VAL 117 3HG1 VAL 117 8.621 6.090 10.327 961 HG21 VAL 117 3HG2 VAL 117 6.614 8.756 8.304 962 HG22 VAL 117 1HG2 VAL 117 8.353 8.841 8.023 963 HG23 VAL 117 2HG2 VAL 117 7.729 8.756 9.670 964 H ILE 118 H ILE 118 7.757 8.358 5.524 965 HA ILE 118 HA ILE 118 10.679 8.175 5.214 966 HB ILE 118 HB ILE 118 8.782 8.738 2.931 967 HG12 ILE 118 1HG1 ILE 118 10.083 6.399 2.304 968 HG13 ILE 118 2HG1 ILE 118 9.788 6.204 4.030 969 HG21 ILE 118 1HG2 ILE 118 10.640 8.839 1.543 970 HG22 ILE 118 2HG2 ILE 118 11.678 8.016 2.705 971 HG23 ILE 118 3HG2 ILE 118 11.180 9.682 2.995 972 HD11 ILE 118 3HD1 ILE 118 7.826 6.481 1.798 973 HD12 ILE 118 1HD1 ILE 118 7.369 6.892 3.451 974 HD13 ILE 118 2HD1 ILE 118 7.917 5.261 3.068 975 H GLN 119 H GLN 119 11.455 10.019 6.054 976 HA GLN 119 HA GLN 119 10.148 12.544 5.288 977 HB2 GLN 119 1HB GLN 119 10.636 13.458 7.511 978 HB3 GLN 119 2HB GLN 119 9.576 12.060 7.612 979 HG2 GLN 119 1HG GLN 119 12.061 10.935 7.869 980 HG3 GLN 119 2HG GLN 119 12.251 12.478 8.699 981 HE21 GLN 119 2HE2 GLN 119 12.281 11.835 10.776 982 HE22 GLN 119 1HE2 GLN 119 10.994 10.993 11.559 983 H ILE 120 H ILE 120 11.479 14.211 4.711 984 HA ILE 120 HA ILE 120 14.231 14.331 5.363 985 HB ILE 120 HB ILE 120 14.407 12.493 3.768 986 HG12 ILE 120 1HG1 ILE 120 15.979 13.657 2.103 987 HG13 ILE 120 2HG1 ILE 120 15.554 15.151 2.929 988 HG21 ILE 120 1HG2 ILE 120 13.048 12.381 2.027 989 HG22 ILE 120 2HG2 ILE 120 13.948 13.700 1.280 990 HG23 ILE 120 3HG2 ILE 120 12.529 14.049 2.267 991 HD11 ILE 120 3HD1 ILE 120 17.564 14.428 3.893 992 HD12 ILE 120 1HD1 ILE 120 16.995 12.764 4.033 993 HD13 ILE 120 2HD1 ILE 120 16.308 14.021 5.062 994 HA PRO 121 HA PRO 121 12.170 18.265 3.941 995 HB2 PRO 121 1HB PRO 121 12.808 19.699 6.155 996 HB3 PRO 121 2HB PRO 121 11.349 18.706 6.045 997 HG2 PRO 121 1HG PRO 121 13.977 18.078 7.338 998 HG3 PRO 121 2HG PRO 121 12.336 17.773 7.935 999 HD2 PRO 121 1HD PRO 121 13.856 15.846 6.793 1000 HD3 PRO 121 2HD PRO 121 12.087 15.876 6.649 1001 H LEU 122 H LEU 122 13.186 20.191 3.245 1002 HA LEU 122 HA LEU 122 16.025 19.939 2.795 1003 HB2 LEU 122 1HB LEU 122 13.876 21.234 1.508 1004 HB3 LEU 122 2HB LEU 122 14.974 22.502 2.017 1005 HG LEU 122 HG LEU 122 16.825 21.201 0.876 1006 HD11 LEU 122 1HD1 LEU 122 15.500 19.065 0.789 1007 HD12 LEU 122 2HD1 LEU 122 16.287 19.533 -0.717 1008 HD13 LEU 122 3HD1 LEU 122 14.556 19.793 -0.510 1009 HD21 LEU 122 3HD2 LEU 122 16.314 23.033 -0.354 1010 HD22 LEU 122 1HD2 LEU 122 14.595 22.647 -0.425 1011 HD23 LEU 122 2HD2 LEU 122 15.732 21.807 -1.478 1012 H ASN 123 H ASN 123 13.893 22.142 4.581 1013 HA ASN 123 HA ASN 123 14.258 23.545 6.324 1014 HB2 ASN 123 1HB ASN 123 15.817 21.421 6.908 1015 HB3 ASN 123 2HB ASN 123 17.053 22.667 6.801 1016 HD21 ASN 123 2HD2 ASN 123 15.283 21.070 8.937 1017 HD22 ASN 123 1HD2 ASN 123 15.063 22.277 10.154 Start of MODEL 10 1 H1 MET 1 1H MET 1 11.810 28.062 -3.562 2 H2 MET 1 2H MET 1 11.895 26.912 -2.294 3 H3 MET 1 3H MET 1 10.770 28.203 -2.209 4 HA MET 1 HA MET 1 9.436 27.357 -3.815 5 HB2 MET 1 1HB MET 1 10.173 25.381 -5.210 6 HB3 MET 1 2HB MET 1 11.009 26.893 -5.527 7 HG2 MET 1 1HG MET 1 12.719 25.885 -3.772 8 HG3 MET 1 2HG MET 1 12.018 24.372 -4.341 9 HE1 MET 1 3HE MET 1 14.328 23.611 -7.087 10 HE2 MET 1 1HE MET 1 12.776 23.161 -6.384 11 HE3 MET 1 2HE MET 1 14.180 23.392 -5.343 12 H VAL 2 H VAL 2 11.540 24.894 -2.258 13 HA VAL 2 HA VAL 2 9.374 24.069 -0.555 14 HB VAL 2 HB VAL 2 8.815 22.843 -2.607 15 HG11 VAL 2 1HG1 VAL 2 11.457 21.429 -2.290 16 HG12 VAL 2 2HG1 VAL 2 11.152 22.707 -3.467 17 HG13 VAL 2 3HG1 VAL 2 10.258 21.190 -3.560 18 HG21 VAL 2 3HG2 VAL 2 8.196 20.980 -1.486 19 HG22 VAL 2 1HG2 VAL 2 8.803 21.887 -0.102 20 HG23 VAL 2 2HG2 VAL 2 9.820 20.671 -0.874 21 H ALA 3 H ALA 3 10.059 23.003 1.263 22 HA ALA 3 HA ALA 3 12.706 21.841 1.406 23 HB1 ALA 3 3HB ALA 3 13.779 23.384 2.653 24 HB2 ALA 3 1HB ALA 3 12.313 23.885 3.496 25 HB3 ALA 3 2HB ALA 3 12.646 24.486 1.872 26 H THR 4 H THR 4 10.061 20.792 1.753 27 HA THR 4 HA THR 4 10.394 19.619 4.378 28 HB THR 4 HB THR 4 7.721 20.032 4.550 29 HG1 THR 4 HG1 THR 4 8.709 22.508 3.612 30 HG21 THR 4 3HG2 THR 4 8.561 20.651 6.510 31 HG22 THR 4 1HG2 THR 4 8.597 22.275 5.825 32 HG23 THR 4 2HG2 THR 4 10.046 21.270 5.788 33 H VAL 5 H VAL 5 10.022 17.499 4.242 34 HA VAL 5 HA VAL 5 8.146 16.536 2.191 35 HB VAL 5 HB VAL 5 10.743 15.135 2.829 36 HG11 VAL 5 1HG1 VAL 5 9.257 13.552 1.988 37 HG12 VAL 5 2HG1 VAL 5 10.151 14.071 0.560 38 HG13 VAL 5 3HG1 VAL 5 8.528 14.693 0.858 39 HG21 VAL 5 3HG2 VAL 5 10.252 17.414 1.101 40 HG22 VAL 5 1HG2 VAL 5 10.901 16.033 0.216 41 HG23 VAL 5 2HG2 VAL 5 11.776 16.685 1.601 42 H LYS 6 H LYS 6 6.572 15.409 3.091 43 HA LYS 6 HA LYS 6 7.173 13.685 5.393 44 HB2 LYS 6 1HB LYS 6 5.003 15.750 5.152 45 HB3 LYS 6 2HB LYS 6 4.791 14.345 6.190 46 HG2 LYS 6 1HG LYS 6 7.031 15.037 7.242 47 HG3 LYS 6 2HG LYS 6 6.764 16.586 6.440 48 HD2 LYS 6 1HD LYS 6 4.635 15.350 8.152 49 HD3 LYS 6 2HD LYS 6 5.947 16.285 8.874 50 HE2 LYS 6 1HE LYS 6 5.306 18.251 7.751 51 HE3 LYS 6 2HE LYS 6 4.271 17.370 6.628 52 HZ1 LYS 6 3HZ LYS 6 3.778 17.996 9.474 53 HZ2 LYS 6 1HZ LYS 6 2.934 16.756 8.690 54 HZ3 LYS 6 2HZ LYS 6 2.810 18.347 8.132 55 H ARG 7 H ARG 7 6.839 11.679 4.689 56 HA ARG 7 HA ARG 7 4.402 11.132 3.122 57 HB2 ARG 7 1HB ARG 7 6.953 9.564 2.807 58 HB3 ARG 7 2HB ARG 7 5.543 9.570 1.759 59 HG2 ARG 7 1HG ARG 7 6.221 12.131 1.516 60 HG3 ARG 7 2HG ARG 7 7.808 11.467 1.912 61 HD2 ARG 7 1HD ARG 7 7.835 10.092 0.026 62 HD3 ARG 7 2HD ARG 7 6.091 10.213 -0.200 63 HE ARG 7 HE ARG 7 6.382 12.219 -1.295 64 HH11 ARG 7 1HH1 ARG 7 9.429 11.187 0.095 65 HH12 ARG 7 2HH1 ARG 7 10.360 12.358 -0.775 66 HH21 ARG 7 1HH2 ARG 7 7.610 13.762 -2.430 67 HH22 ARG 7 2HH2 ARG 7 9.326 13.820 -2.208 68 H THR 8 H THR 8 3.639 8.893 3.275 69 HA THR 8 HA THR 8 4.556 7.118 5.274 70 HB THR 8 HB THR 8 3.691 8.621 6.904 71 HG1 THR 8 HG1 THR 8 3.068 6.500 7.315 72 HG21 THR 8 3HG2 THR 8 2.148 10.122 6.408 73 HG22 THR 8 1HG2 THR 8 0.944 8.835 6.450 74 HG23 THR 8 2HG2 THR 8 1.721 9.267 4.926 75 H ILE 9 H ILE 9 4.081 5.220 4.387 76 HA ILE 9 HA ILE 9 1.639 4.986 2.781 77 HB ILE 9 HB ILE 9 3.745 4.441 1.625 78 HG12 ILE 9 1HG1 ILE 9 2.314 1.831 1.912 79 HG13 ILE 9 2HG1 ILE 9 1.423 3.228 1.321 80 HG21 ILE 9 1HG2 ILE 9 3.987 2.041 3.411 81 HG22 ILE 9 2HG2 ILE 9 4.876 3.537 3.691 82 HG23 ILE 9 3HG2 ILE 9 5.130 2.627 2.202 83 HD11 ILE 9 3HD1 ILE 9 2.189 2.794 -0.702 84 HD12 ILE 9 1HD1 ILE 9 3.213 1.501 -0.076 85 HD13 ILE 9 2HD1 ILE 9 3.819 3.156 -0.134 86 H ARG 10 H ARG 10 -0.040 4.031 3.683 87 HA ARG 10 HA ARG 10 0.456 1.983 5.742 88 HB2 ARG 10 1HB ARG 10 -0.975 4.381 5.976 89 HB3 ARG 10 2HB ARG 10 -2.203 3.129 5.864 90 HG2 ARG 10 1HG ARG 10 -1.500 2.082 7.813 91 HG3 ARG 10 2HG ARG 10 0.095 2.831 7.754 92 HD2 ARG 10 1HD ARG 10 -1.241 3.821 9.517 93 HD3 ARG 10 2HD ARG 10 -0.912 5.008 8.256 94 HE ARG 10 HE ARG 10 -3.321 4.033 7.539 95 HH11 ARG 10 1HH1 ARG 10 -2.095 5.280 10.571 96 HH12 ARG 10 2HH1 ARG 10 -3.632 5.889 11.086 97 HH21 ARG 10 1HH2 ARG 10 -5.349 4.852 8.221 98 HH22 ARG 10 2HH2 ARG 10 -5.475 5.646 9.755 99 H ILE 11 H ILE 11 0.060 0.024 4.948 100 HA ILE 11 HA ILE 11 -2.184 -0.308 3.062 101 HB ILE 11 HB ILE 11 -1.053 -2.341 2.243 102 HG12 ILE 11 1HG1 ILE 11 1.266 -1.450 3.974 103 HG13 ILE 11 2HG1 ILE 11 0.238 -2.838 4.304 104 HG21 ILE 11 1HG2 ILE 11 1.006 -1.061 1.276 105 HG22 ILE 11 2HG2 ILE 11 0.266 0.328 2.071 106 HG23 ILE 11 3HG2 ILE 11 -0.630 -0.568 0.846 107 HD11 ILE 11 3HD1 ILE 11 0.994 -3.899 2.248 108 HD12 ILE 11 1HD1 ILE 11 2.349 -3.506 3.306 109 HD13 ILE 11 2HD1 ILE 11 2.010 -2.500 1.897 110 H LYS 12 H LYS 12 -3.807 -1.686 3.557 111 HA LYS 12 HA LYS 12 -3.448 -3.462 5.883 112 HB2 LYS 12 1HB LYS 12 -5.702 -1.557 5.300 113 HB3 LYS 12 2HB LYS 12 -5.940 -2.962 6.331 114 HG2 LYS 12 1HG LYS 12 -5.476 -1.264 7.834 115 HG3 LYS 12 2HG LYS 12 -3.920 -2.076 7.652 116 HD2 LYS 12 1HD LYS 12 -2.968 -0.309 6.600 117 HD3 LYS 12 2HD LYS 12 -4.462 0.143 5.776 118 HE2 LYS 12 1HE LYS 12 -4.442 0.479 8.707 119 HE3 LYS 12 2HE LYS 12 -3.374 1.551 7.801 120 HZ1 LYS 12 3HZ LYS 12 -5.507 2.581 8.065 121 HZ2 LYS 12 1HZ LYS 12 -6.303 1.236 7.417 122 HZ3 LYS 12 2HZ LYS 12 -5.306 2.184 6.434 123 H THR 13 H THR 13 -3.910 -5.521 5.474 124 HA THR 13 HA THR 13 -5.805 -6.158 3.315 125 HB THR 13 HB THR 13 -3.350 -7.827 3.813 126 HG1 THR 13 HG1 THR 13 -3.566 -5.467 2.298 127 HG21 THR 13 3HG2 THR 13 -3.655 -8.602 1.588 128 HG22 THR 13 1HG2 THR 13 -4.940 -7.429 1.298 129 HG23 THR 13 2HG2 THR 13 -5.192 -8.751 2.438 130 H GLN 14 H GLN 14 -7.505 -6.930 4.451 131 HA GLN 14 HA GLN 14 -6.964 -9.033 6.446 132 HB2 GLN 14 1HB GLN 14 -8.886 -6.763 6.433 133 HB3 GLN 14 2HB GLN 14 -9.428 -8.273 7.152 134 HG2 GLN 14 1HG GLN 14 -7.350 -8.218 8.567 135 HG3 GLN 14 2HG GLN 14 -7.083 -6.582 7.967 136 HE21 GLN 14 2HE2 GLN 14 -7.882 -5.005 9.154 137 HE22 GLN 14 1HE2 GLN 14 -9.179 -5.141 10.289 138 H GLN 15 H GLN 15 -8.251 -10.886 6.448 139 HA GLN 15 HA GLN 15 -10.280 -11.189 4.366 140 HB2 GLN 15 1HB GLN 15 -8.303 -11.893 3.194 141 HB3 GLN 15 2HB GLN 15 -7.776 -12.867 4.556 142 HG2 GLN 15 1HG GLN 15 -9.009 -14.616 3.940 143 HG3 GLN 15 2HG GLN 15 -10.406 -13.622 3.554 144 HE21 GLN 15 2HE2 GLN 15 -9.156 -11.963 1.607 145 HE22 GLN 15 1HE2 GLN 15 -8.854 -12.938 0.215 146 H HIS 16 H HIS 16 -11.782 -12.883 4.765 147 HA HIS 16 HA HIS 16 -11.390 -14.692 6.959 148 HB2 HIS 16 1HB HIS 16 -12.089 -12.312 7.878 149 HB3 HIS 16 2HB HIS 16 -13.697 -12.851 7.410 150 HD1 HIS 16 HD1 HIS 16 -12.252 -15.873 8.401 151 HD2 HIS 16 HD2 HIS 16 -13.502 -12.505 10.489 152 HE1 HIS 16 HE1 HIS 16 -12.620 -16.646 10.763 153 HE2 HIS 16 HE2 HIS 16 -13.326 -14.580 12.021 154 H ILE 17 H ILE 17 -12.352 -16.526 6.336 155 HA ILE 17 HA ILE 17 -14.289 -16.568 4.228 156 HB ILE 17 HB ILE 17 -13.543 -18.834 6.089 157 HG12 ILE 17 1HG1 ILE 17 -12.449 -18.471 3.318 158 HG13 ILE 17 2HG1 ILE 17 -11.683 -17.662 4.678 159 HG21 ILE 17 1HG2 ILE 17 -14.867 -18.789 3.383 160 HG22 ILE 17 2HG2 ILE 17 -15.588 -19.288 4.912 161 HG23 ILE 17 3HG2 ILE 17 -14.295 -20.248 4.192 162 HD11 ILE 17 3HD1 ILE 17 -12.203 -20.556 4.965 163 HD12 ILE 17 1HD1 ILE 17 -10.839 -19.585 5.516 164 HD13 ILE 17 2HD1 ILE 17 -10.951 -20.068 3.825 165 H LEU 18 H LEU 18 -16.482 -17.140 4.317 166 HA LEU 18 HA LEU 18 -17.714 -16.980 6.989 167 HB2 LEU 18 1HB LEU 18 -18.096 -15.285 4.721 168 HB3 LEU 18 2HB LEU 18 -19.585 -16.161 5.010 169 HG LEU 18 HG LEU 18 -19.631 -14.027 6.155 170 HD11 LEU 18 1HD1 LEU 18 -19.442 -16.468 7.890 171 HD12 LEU 18 2HD1 LEU 18 -20.883 -15.654 7.283 172 HD13 LEU 18 3HD1 LEU 18 -19.901 -14.893 8.535 173 HD21 LEU 18 3HD2 LEU 18 -17.974 -13.946 8.211 174 HD22 LEU 18 1HD2 LEU 18 -17.511 -13.330 6.624 175 HD23 LEU 18 2HD2 LEU 18 -16.978 -14.929 7.140 176 HA PRO 19 HA PRO 19 -19.009 -20.964 4.991 177 HB2 PRO 19 1HB PRO 19 -18.467 -22.571 7.082 178 HB3 PRO 19 2HB PRO 19 -17.223 -22.076 5.929 179 HG2 PRO 19 1HG PRO 19 -17.809 -21.002 8.659 180 HG3 PRO 19 2HG PRO 19 -16.243 -21.344 7.902 181 HD2 PRO 19 1HD PRO 19 -17.331 -18.840 8.064 182 HD3 PRO 19 2HD PRO 19 -16.204 -19.344 6.790 183 H GLU 20 H GLU 20 -19.766 -19.416 8.041 184 HA GLU 20 HA GLU 20 -21.870 -20.989 8.945 185 HB2 GLU 20 1HB GLU 20 -21.044 -18.163 9.304 186 HB3 GLU 20 2HB GLU 20 -22.710 -18.549 9.715 187 HG2 GLU 20 1HG GLU 20 -20.961 -20.526 10.823 188 HG3 GLU 20 2HG GLU 20 -20.415 -18.913 11.283 189 H VAL 21 H VAL 21 -21.807 -18.589 6.385 190 HA VAL 21 HA VAL 21 -24.656 -18.441 6.086 191 HB VAL 21 HB VAL 21 -22.566 -17.653 4.054 192 HG11 VAL 21 1HG1 VAL 21 -24.291 -16.079 3.296 193 HG12 VAL 21 2HG1 VAL 21 -25.404 -16.735 4.494 194 HG13 VAL 21 3HG1 VAL 21 -24.824 -17.755 3.176 195 HG21 VAL 21 3HG2 VAL 21 -23.127 -16.508 6.648 196 HG22 VAL 21 1HG2 VAL 21 -23.450 -15.353 5.356 197 HG23 VAL 21 2HG2 VAL 21 -21.860 -16.103 5.490 198 HA PRO 22 HA PRO 22 -25.009 -22.178 3.683 199 HB2 PRO 22 1HB PRO 22 -27.596 -21.946 2.964 200 HB3 PRO 22 2HB PRO 22 -27.112 -22.340 4.617 201 HG2 PRO 22 1HG PRO 22 -27.964 -19.711 3.469 202 HG3 PRO 22 2HG PRO 22 -28.405 -20.450 5.019 203 HD2 PRO 22 1HD PRO 22 -26.495 -18.518 4.761 204 HD3 PRO 22 2HD PRO 22 -26.481 -19.743 6.044 205 HA PRO 23 HA PRO 23 -24.199 -20.180 -0.327 206 HB2 PRO 23 1HB PRO 23 -22.914 -22.296 -1.429 207 HB3 PRO 23 2HB PRO 23 -22.131 -21.193 -0.290 208 HG2 PRO 23 1HG PRO 23 -23.337 -23.891 0.210 209 HG3 PRO 23 2HG PRO 23 -21.802 -23.226 0.801 210 HD2 PRO 23 1HD PRO 23 -24.039 -23.307 2.324 211 HD3 PRO 23 2HD PRO 23 -22.824 -22.023 2.479 212 H VAL 24 H VAL 24 -24.472 -21.120 -2.674 213 HA VAL 24 HA VAL 24 -27.182 -21.714 -3.059 214 HB VAL 24 HB VAL 24 -26.512 -22.302 -5.428 215 HG11 VAL 24 1HG1 VAL 24 -25.261 -19.688 -4.863 216 HG12 VAL 24 2HG1 VAL 24 -26.899 -19.922 -4.254 217 HG13 VAL 24 3HG1 VAL 24 -26.563 -20.112 -5.975 218 HG21 VAL 24 3HG2 VAL 24 -23.797 -21.239 -4.773 219 HG22 VAL 24 1HG2 VAL 24 -24.326 -22.187 -6.162 220 HG23 VAL 24 2HG2 VAL 24 -24.131 -22.959 -4.589 221 H GLU 25 H GLU 25 -24.405 -23.833 -2.753 222 HA GLU 25 HA GLU 25 -26.120 -26.095 -2.328 223 HB2 GLU 25 1HB GLU 25 -25.721 -25.820 -4.896 224 HB3 GLU 25 2HB GLU 25 -24.122 -26.455 -4.537 225 HG2 GLU 25 1HG GLU 25 -24.999 -28.475 -4.775 226 HG3 GLU 25 2HG GLU 25 -25.820 -28.203 -3.240 227 H ASN 26 H ASN 26 -22.732 -25.612 -3.366 228 HA ASN 26 HA ASN 26 -21.753 -26.231 -0.724 229 HB2 ASN 26 1HB ASN 26 -20.427 -28.189 -1.413 230 HB3 ASN 26 2HB ASN 26 -22.151 -28.489 -1.586 231 HD21 ASN 26 2HD2 ASN 26 -23.062 -28.318 -3.740 232 HD22 ASN 26 1HD2 ASN 26 -22.077 -28.703 -5.107 233 H PHE 27 H PHE 27 -21.574 -24.018 -2.621 234 HA PHE 27 HA PHE 27 -18.663 -23.999 -3.075 235 HB2 PHE 27 1HB PHE 27 -20.068 -23.936 -5.157 236 HB3 PHE 27 2HB PHE 27 -20.721 -22.397 -4.608 237 HD1 PHE 27 HD1 PHE 27 -17.418 -24.035 -5.220 238 HD2 PHE 27 HD2 PHE 27 -19.739 -20.469 -5.376 239 HE1 PHE 27 HE1 PHE 27 -15.535 -22.859 -6.282 240 HE2 PHE 27 HE2 PHE 27 -17.859 -19.289 -6.438 241 HZ PHE 27 HZ PHE 27 -15.755 -20.483 -6.893 242 HA PRO 28 HA PRO 28 -19.597 -20.765 0.114 243 HB2 PRO 28 1HB PRO 28 -17.406 -21.260 1.632 244 HB3 PRO 28 2HB PRO 28 -18.912 -22.167 1.803 245 HG2 PRO 28 1HG PRO 28 -16.406 -22.914 0.345 246 HG3 PRO 28 2HG PRO 28 -17.433 -23.913 1.389 247 HD2 PRO 28 1HD PRO 28 -17.551 -24.017 -1.317 248 HD3 PRO 28 2HD PRO 28 -18.963 -24.310 -0.282 249 H VAL 29 H VAL 29 -18.443 -18.818 0.620 250 HA VAL 29 HA VAL 29 -16.178 -18.261 -1.182 251 HB VAL 29 HB VAL 29 -17.005 -15.877 -1.233 252 HG11 VAL 29 1HG1 VAL 29 -18.223 -18.200 -2.579 253 HG12 VAL 29 2HG1 VAL 29 -17.413 -16.787 -3.255 254 HG13 VAL 29 3HG1 VAL 29 -19.093 -16.674 -2.731 255 HG21 VAL 29 3HG2 VAL 29 -19.344 -15.450 -0.726 256 HG22 VAL 29 1HG2 VAL 29 -18.499 -16.019 0.714 257 HG23 VAL 29 2HG2 VAL 29 -19.549 -17.114 -0.181 258 H ARG 30 H ARG 30 -15.109 -16.057 -0.441 259 HA ARG 30 HA ARG 30 -14.837 -16.058 2.486 260 HB2 ARG 30 1HB ARG 30 -12.339 -15.589 2.037 261 HB3 ARG 30 2HB ARG 30 -12.913 -17.243 1.892 262 HG2 ARG 30 1HG ARG 30 -13.172 -16.694 -0.617 263 HG3 ARG 30 2HG ARG 30 -12.114 -15.327 -0.262 264 HD2 ARG 30 1HD ARG 30 -10.298 -16.637 0.014 265 HD3 ARG 30 2HD ARG 30 -11.216 -17.922 0.798 266 HE ARG 30 HE ARG 30 -10.563 -17.712 -1.989 267 HH11 ARG 30 1HH1 ARG 30 -12.842 -19.049 0.306 268 HH12 ARG 30 2HH1 ARG 30 -13.321 -20.345 -0.735 269 HH21 ARG 30 1HH2 ARG 30 -11.205 -19.417 -3.363 270 HH22 ARG 30 2HH2 ARG 30 -12.390 -20.555 -2.819 271 H GLN 31 H GLN 31 -13.862 -14.055 3.354 272 HA GLN 31 HA GLN 31 -14.721 -11.759 1.746 273 HB2 GLN 31 1HB GLN 31 -15.167 -12.424 4.414 274 HB3 GLN 31 2HB GLN 31 -13.978 -11.128 4.481 275 HG2 GLN 31 1HG GLN 31 -15.440 -9.578 3.782 276 HG3 GLN 31 2HG GLN 31 -16.208 -10.671 2.632 277 HE21 GLN 31 2HE2 GLN 31 -16.186 -9.497 5.904 278 HE22 GLN 31 1HE2 GLN 31 -17.712 -10.162 6.368 279 H TRP 32 H TRP 32 -13.442 -9.771 1.852 280 HA TRP 32 HA TRP 32 -10.672 -9.939 2.600 281 HB2 TRP 32 1HB TRP 32 -9.812 -9.495 0.293 282 HB3 TRP 32 2HB TRP 32 -10.483 -11.107 0.507 283 HD1 TRP 32 HD1 TRP 32 -13.041 -11.459 -0.531 284 HE1 TRP 32 HE1 TRP 32 -14.061 -10.449 -2.668 285 HE3 TRP 32 HE3 TRP 32 -9.822 -7.543 -1.198 286 HZ2 TRP 32 HZ2 TRP 32 -13.565 -8.283 -4.409 287 HZ3 TRP 32 HZ3 TRP 32 -10.163 -6.050 -3.125 288 HH2 TRP 32 HH2 TRP 32 -11.996 -6.413 -4.696 289 H SER 33 H SER 33 -9.565 -7.951 2.498 290 HA SER 33 HA SER 33 -11.019 -5.590 1.613 291 HB2 SER 33 1HB SER 33 -10.404 -4.542 3.941 292 HB3 SER 33 2HB SER 33 -11.871 -5.508 3.777 293 HG SER 33 HG SER 33 -11.056 -6.695 5.299 294 H ILE 34 H ILE 34 -9.605 -4.435 0.473 295 HA ILE 34 HA ILE 34 -6.805 -4.348 1.388 296 HB ILE 34 HB ILE 34 -7.023 -5.735 -0.640 297 HG12 ILE 34 1HG1 ILE 34 -5.306 -4.546 -1.995 298 HG13 ILE 34 2HG1 ILE 34 -5.590 -3.097 -1.038 299 HG21 ILE 34 1HG2 ILE 34 -7.591 -3.415 -2.373 300 HG22 ILE 34 2HG2 ILE 34 -8.950 -4.052 -1.446 301 HG23 ILE 34 3HG2 ILE 34 -8.060 -5.106 -2.544 302 HD11 ILE 34 3HD1 ILE 34 -5.064 -5.200 0.768 303 HD12 ILE 34 1HD1 ILE 34 -4.073 -3.787 0.409 304 HD13 ILE 34 2HD1 ILE 34 -3.849 -5.275 -0.509 305 H GLU 35 H GLU 35 -5.828 -2.401 1.475 306 HA GLU 35 HA GLU 35 -6.871 -0.087 0.098 307 HB2 GLU 35 1HB GLU 35 -7.305 1.231 2.106 308 HB3 GLU 35 2HB GLU 35 -8.347 -0.183 2.057 309 HG2 GLU 35 1HG GLU 35 -6.033 -0.936 3.468 310 HG3 GLU 35 2HG GLU 35 -6.518 0.642 4.085 311 H ILE 36 H ILE 36 -5.416 1.676 0.102 312 HA ILE 36 HA ILE 36 -2.994 1.549 1.656 313 HB ILE 36 HB ILE 36 -2.336 0.032 -0.099 314 HG12 ILE 36 1HG1 ILE 36 -1.096 2.753 -0.581 315 HG13 ILE 36 2HG1 ILE 36 -0.670 1.669 0.740 316 HG21 ILE 36 1HG2 ILE 36 -2.575 0.368 -2.367 317 HG22 ILE 36 2HG2 ILE 36 -2.694 2.121 -2.202 318 HG23 ILE 36 3HG2 ILE 36 -4.052 1.099 -1.737 319 HD11 ILE 36 3HD1 ILE 36 0.551 1.798 -1.709 320 HD12 ILE 36 1HD1 ILE 36 -0.503 0.393 -1.863 321 HD13 ILE 36 2HD1 ILE 36 0.679 0.470 -0.557 322 H VAL 37 H VAL 37 -2.205 3.514 2.034 323 HA VAL 37 HA VAL 37 -3.004 5.736 0.276 324 HB VAL 37 HB VAL 37 -3.309 7.180 2.242 325 HG11 VAL 37 1HG1 VAL 37 -5.082 5.388 1.226 326 HG12 VAL 37 2HG1 VAL 37 -5.482 6.646 2.395 327 HG13 VAL 37 3HG1 VAL 37 -5.143 5.005 2.946 328 HG21 VAL 37 3HG2 VAL 37 -2.904 6.579 4.377 329 HG22 VAL 37 1HG2 VAL 37 -1.873 5.355 3.636 330 HG23 VAL 37 2HG2 VAL 37 -3.510 4.939 4.141 331 H LEU 38 H LEU 38 -1.598 7.647 0.449 332 HA LEU 38 HA LEU 38 0.889 7.478 1.844 333 HB2 LEU 38 1HB LEU 38 1.424 5.921 0.077 334 HB3 LEU 38 2HB LEU 38 0.888 7.061 -1.144 335 HG LEU 38 HG LEU 38 2.919 8.328 0.408 336 HD11 LEU 38 1HD1 LEU 38 4.784 6.739 -0.323 337 HD12 LEU 38 2HD1 LEU 38 3.523 5.511 -0.421 338 HD13 LEU 38 3HD1 LEU 38 3.853 6.314 1.113 339 HD21 LEU 38 3HD2 LEU 38 3.938 8.664 -1.696 340 HD22 LEU 38 1HD2 LEU 38 2.199 8.690 -1.986 341 HD23 LEU 38 2HD2 LEU 38 3.139 7.254 -2.392 342 H LEU 39 H LEU 39 2.012 9.411 1.874 343 HA LEU 39 HA LEU 39 0.563 11.704 0.776 344 HB2 LEU 39 1HB LEU 39 1.682 11.222 3.259 345 HB3 LEU 39 2HB LEU 39 2.843 12.288 2.493 346 HG LEU 39 HG LEU 39 1.057 13.936 2.087 347 HD11 LEU 39 1HD1 LEU 39 -1.103 13.608 3.310 348 HD12 LEU 39 2HD1 LEU 39 -0.645 11.920 3.532 349 HD13 LEU 39 3HD1 LEU 39 -0.876 12.564 1.907 350 HD21 LEU 39 3HD2 LEU 39 1.879 13.022 4.770 351 HD22 LEU 39 1HD2 LEU 39 0.528 14.155 4.712 352 HD23 LEU 39 2HD2 LEU 39 2.078 14.592 3.992 353 H ASP 40 H ASP 40 1.690 13.455 -0.218 354 HA ASP 40 HA ASP 40 4.415 13.317 -0.984 355 HB2 ASP 40 1HB ASP 40 2.779 11.696 -2.544 356 HB3 ASP 40 2HB ASP 40 2.948 13.166 -3.500 357 H ASP 41 H ASP 41 1.214 14.499 -1.958 358 HA ASP 41 HA ASP 41 2.229 16.974 -2.994 359 HB2 ASP 41 1HB ASP 41 -0.174 17.574 -3.227 360 HB3 ASP 41 2HB ASP 41 0.235 16.034 -3.979 361 H GLU 42 H GLU 42 2.055 15.997 0.128 362 HA GLU 42 HA GLU 42 0.868 18.365 1.273 363 HB2 GLU 42 1HB GLU 42 1.975 15.820 2.311 364 HB3 GLU 42 2HB GLU 42 2.117 17.214 3.373 365 HG2 GLU 42 1HG GLU 42 -0.442 16.192 2.162 366 HG3 GLU 42 2HG GLU 42 0.097 15.917 3.818 367 H GLY 43 H GLY 43 4.054 17.236 0.392 368 HA2 GLY 43 1HA GLY 43 5.148 19.768 1.422 369 HA3 GLY 43 2HA GLY 43 6.036 18.259 1.562 370 H LYS 44 H LYS 44 6.026 17.076 -0.743 371 HA LYS 44 HA LYS 44 6.402 18.922 -2.936 372 HB2 LYS 44 1HB LYS 44 8.728 18.108 -3.367 373 HB3 LYS 44 2HB LYS 44 8.562 19.145 -1.961 374 HG2 LYS 44 1HG LYS 44 9.303 17.565 -0.579 375 HG3 LYS 44 2HG LYS 44 8.294 16.321 -1.316 376 HD2 LYS 44 1HD LYS 44 10.441 15.568 -1.773 377 HD3 LYS 44 2HD LYS 44 10.010 16.421 -3.256 378 HE2 LYS 44 1HE LYS 44 11.390 17.914 -1.073 379 HE3 LYS 44 2HE LYS 44 12.332 16.819 -2.083 380 HZ1 LYS 44 3HZ LYS 44 11.565 18.032 -4.036 381 HZ2 LYS 44 1HZ LYS 44 12.369 19.061 -2.962 382 HZ3 LYS 44 2HZ LYS 44 10.681 19.090 -3.058 383 H GLU 45 H GLU 45 5.518 17.996 -4.647 384 HA GLU 45 HA GLU 45 5.397 15.068 -4.788 385 HB2 GLU 45 1HB GLU 45 3.598 15.391 -6.423 386 HB3 GLU 45 2HB GLU 45 3.250 16.225 -4.916 387 HG2 GLU 45 1HG GLU 45 3.761 18.341 -5.871 388 HG3 GLU 45 2HG GLU 45 4.423 17.593 -7.324 389 H ILE 46 H ILE 46 7.816 16.586 -5.456 390 HA ILE 46 HA ILE 46 8.005 16.266 -8.362 391 HB ILE 46 HB ILE 46 10.069 17.425 -6.487 392 HG12 ILE 46 1HG1 ILE 46 9.077 19.552 -7.887 393 HG13 ILE 46 2HG1 ILE 46 7.621 18.592 -7.650 394 HG21 ILE 46 1HG2 ILE 46 9.775 17.694 -9.475 395 HG22 ILE 46 2HG2 ILE 46 10.899 16.607 -8.659 396 HG23 ILE 46 3HG2 ILE 46 11.070 18.353 -8.476 397 HD11 ILE 46 3HD1 ILE 46 8.148 20.357 -5.912 398 HD12 ILE 46 1HD1 ILE 46 9.451 19.294 -5.381 399 HD13 ILE 46 2HD1 ILE 46 7.777 18.739 -5.319 400 HA PRO 47 HA PRO 47 10.061 12.346 -7.867 401 HB2 PRO 47 1HB PRO 47 11.242 12.222 -10.330 402 HB3 PRO 47 2HB PRO 47 9.537 11.865 -10.041 403 HG2 PRO 47 1HG PRO 47 10.799 14.370 -11.079 404 HG3 PRO 47 2HG PRO 47 9.316 13.556 -11.610 405 HD2 PRO 47 1HD PRO 47 9.269 15.738 -10.021 406 HD3 PRO 47 2HD PRO 47 8.057 14.448 -9.897 407 H ALA 48 H ALA 48 11.943 14.982 -9.375 408 HA ALA 48 HA ALA 48 14.054 15.739 -9.044 409 HB1 ALA 48 3HB ALA 48 14.101 16.078 -6.837 410 HB2 ALA 48 1HB ALA 48 15.106 14.630 -6.788 411 HB3 ALA 48 2HB ALA 48 13.373 14.514 -6.476 412 H THR 49 H THR 49 14.479 12.503 -7.595 413 HA THR 49 HA THR 49 16.540 11.981 -9.626 414 HB THR 49 HB THR 49 16.106 10.656 -6.940 415 HG1 THR 49 HG1 THR 49 17.566 12.003 -6.187 416 HG21 THR 49 3HG2 THR 49 17.406 9.510 -9.014 417 HG22 THR 49 1HG2 THR 49 17.800 9.245 -7.316 418 HG23 THR 49 2HG2 THR 49 18.713 10.422 -8.259 419 H ILE 50 H ILE 50 14.361 9.892 -7.700 420 HA ILE 50 HA ILE 50 13.660 8.519 -10.210 421 HB ILE 50 HB ILE 50 13.968 7.196 -7.508 422 HG12 ILE 50 1HG1 ILE 50 15.694 6.079 -9.467 423 HG13 ILE 50 2HG1 ILE 50 15.911 7.825 -9.518 424 HG21 ILE 50 1HG2 ILE 50 13.538 5.121 -8.643 425 HG22 ILE 50 2HG2 ILE 50 13.454 5.941 -10.201 426 HG23 ILE 50 3HG2 ILE 50 12.214 6.233 -8.983 427 HD11 ILE 50 3HD1 ILE 50 16.096 7.596 -6.931 428 HD12 ILE 50 1HD1 ILE 50 17.470 7.195 -7.961 429 HD13 ILE 50 2HD1 ILE 50 16.458 5.911 -7.304 430 H PHE 51 H PHE 51 12.424 8.028 -6.912 431 HA PHE 51 HA PHE 51 10.358 8.167 -6.020 432 HB2 PHE 51 1HB PHE 51 10.266 10.455 -6.165 433 HB3 PHE 51 2HB PHE 51 10.416 10.462 -7.913 434 HD1 PHE 51 HD1 PHE 51 8.090 9.990 -5.092 435 HD2 PHE 51 HD2 PHE 51 8.469 10.465 -9.307 436 HE1 PHE 51 HE1 PHE 51 5.663 10.366 -5.266 437 HE2 PHE 51 HE2 PHE 51 6.046 10.841 -9.482 438 HZ PHE 51 HZ PHE 51 4.640 10.793 -7.463 439 H ASP 52 H ASP 52 9.415 6.276 -6.373 440 HA ASP 52 HA ASP 52 7.321 6.076 -8.293 441 HB2 ASP 52 1HB ASP 52 9.332 5.571 -9.708 442 HB3 ASP 52 2HB ASP 52 9.641 4.176 -8.678 443 H LYS 53 H LYS 53 5.811 5.235 -7.014 444 HA LYS 53 HA LYS 53 6.556 2.965 -5.288 445 HB2 LYS 53 1HB LYS 53 4.331 4.963 -4.854 446 HB3 LYS 53 2HB LYS 53 4.768 3.649 -3.774 447 HG2 LYS 53 1HG LYS 53 6.537 4.760 -2.917 448 HG3 LYS 53 2HG LYS 53 6.914 5.564 -4.441 449 HD2 LYS 53 1HD LYS 53 4.461 6.626 -3.726 450 HD3 LYS 53 2HD LYS 53 5.319 6.483 -2.191 451 HE2 LYS 53 1HE LYS 53 6.539 7.748 -4.634 452 HE3 LYS 53 2HE LYS 53 5.611 8.664 -3.448 453 HZ1 LYS 53 3HZ LYS 53 8.198 8.439 -3.262 454 HZ2 LYS 53 1HZ LYS 53 7.815 6.985 -2.488 455 HZ3 LYS 53 2HZ LYS 53 7.231 8.451 -1.878 456 H VAL 54 H VAL 54 5.610 1.073 -5.730 457 HA VAL 54 HA VAL 54 3.158 1.104 -7.370 458 HB VAL 54 HB VAL 54 5.124 0.356 -8.664 459 HG11 VAL 54 1HG1 VAL 54 6.525 -0.641 -7.046 460 HG12 VAL 54 2HG1 VAL 54 6.025 -1.939 -8.129 461 HG13 VAL 54 3HG1 VAL 54 5.268 -1.772 -6.545 462 HG21 VAL 54 3HG2 VAL 54 3.280 -1.972 -8.195 463 HG22 VAL 54 1HG2 VAL 54 4.079 -1.495 -9.691 464 HG23 VAL 54 2HG2 VAL 54 2.774 -0.507 -9.036 465 H ILE 55 H ILE 55 1.658 -0.589 -7.058 466 HA ILE 55 HA ILE 55 1.951 -2.103 -4.551 467 HB ILE 55 HB ILE 55 -0.719 -1.020 -5.372 468 HG12 ILE 55 1HG1 ILE 55 0.963 0.451 -3.375 469 HG13 ILE 55 2HG1 ILE 55 1.146 0.805 -5.088 470 HG21 ILE 55 1HG2 ILE 55 0.412 -1.703 -2.665 471 HG22 ILE 55 2HG2 ILE 55 -0.544 -2.798 -3.663 472 HG23 ILE 55 3HG2 ILE 55 -1.263 -1.310 -3.048 473 HD11 ILE 55 3HD1 ILE 55 -1.608 0.786 -4.037 474 HD12 ILE 55 1HD1 ILE 55 -0.846 1.842 -5.226 475 HD13 ILE 55 2HD1 ILE 55 -0.555 2.098 -3.507 476 H TYR 56 H TYR 56 1.440 -4.193 -4.679 477 HA TYR 56 HA TYR 56 -0.124 -5.123 -6.991 478 HB2 TYR 56 1HB TYR 56 2.601 -5.728 -6.385 479 HB3 TYR 56 2HB TYR 56 1.651 -7.195 -6.171 480 HD1 TYR 56 HD2 TYR 56 -0.285 -7.284 -8.195 481 HD2 TYR 56 HD1 TYR 56 3.635 -5.645 -8.438 482 HE1 TYR 56 HE2 TYR 56 -0.300 -7.630 -10.627 483 HE2 TYR 56 HE1 TYR 56 3.628 -5.986 -10.873 484 HH TYR 56 HH TYR 56 1.644 -6.167 -12.704 485 H HIS 57 H HIS 57 -1.538 -6.810 -6.643 486 HA HIS 57 HA HIS 57 -1.673 -8.027 -4.007 487 HB2 HIS 57 1HB HIS 57 -4.106 -7.462 -3.793 488 HB3 HIS 57 2HB HIS 57 -3.032 -6.082 -3.642 489 HD1 HIS 57 HD1 HIS 57 -6.167 -6.621 -4.868 490 HD2 HIS 57 HD2 HIS 57 -2.752 -5.082 -6.668 491 HE1 HIS 57 HE1 HIS 57 -6.988 -5.259 -6.814 492 HE2 HIS 57 HE2 HIS 57 -4.898 -4.448 -7.967 493 H LEU 58 H LEU 58 -1.933 -10.134 -4.291 494 HA LEU 58 HA LEU 58 -2.614 -12.140 -5.093 495 HB2 LEU 58 1HB LEU 58 -4.710 -10.523 -6.555 496 HB3 LEU 58 2HB LEU 58 -4.702 -12.267 -6.413 497 HG LEU 58 HG LEU 58 -4.764 -11.864 -3.863 498 HD11 LEU 58 1HD1 LEU 58 -5.282 -9.136 -4.939 499 HD12 LEU 58 2HD1 LEU 58 -4.394 -9.634 -3.499 500 HD13 LEU 58 3HD1 LEU 58 -6.157 -9.671 -3.505 501 HD21 LEU 58 3HD2 LEU 58 -7.076 -12.058 -3.874 502 HD22 LEU 58 1HD2 LEU 58 -6.627 -12.633 -5.479 503 HD23 LEU 58 2HD2 LEU 58 -7.259 -11.000 -5.272 504 H HIS 59 H HIS 59 -3.356 -13.101 -7.517 505 HA HIS 59 HA HIS 59 -0.989 -13.004 -9.010 506 HB2 HIS 59 1HB HIS 59 -3.129 -14.658 -8.970 507 HB3 HIS 59 2HB HIS 59 -3.469 -13.762 -10.447 508 HD1 HIS 59 HD1 HIS 59 -0.894 -16.060 -8.934 509 HD2 HIS 59 HD2 HIS 59 -1.918 -14.445 -12.621 510 HE1 HIS 59 HE1 HIS 59 0.508 -17.292 -10.618 511 HE2 HIS 59 HE2 HIS 59 -0.062 -16.233 -12.834 512 HA PRO 60 HA PRO 60 -1.252 -9.270 -11.396 513 HB2 PRO 60 1HB PRO 60 -0.103 -10.908 -13.593 514 HB3 PRO 60 2HB PRO 60 0.462 -9.383 -12.903 515 HG2 PRO 60 1HG PRO 60 1.709 -11.664 -12.344 516 HG3 PRO 60 2HG PRO 60 1.477 -10.428 -11.094 517 HD2 PRO 60 1HD PRO 60 -0.003 -12.994 -11.524 518 HD3 PRO 60 2HD PRO 60 0.500 -12.221 -10.006 519 H THR 61 H THR 61 -2.745 -12.230 -12.371 520 HA THR 61 HA THR 61 -3.940 -11.408 -14.793 521 HB THR 61 HB THR 61 -5.571 -13.283 -14.284 522 HG1 THR 61 HG1 THR 61 -5.430 -14.329 -12.433 523 HG21 THR 61 3HG2 THR 61 -4.000 -14.304 -15.499 524 HG22 THR 61 1HG2 THR 61 -3.478 -14.977 -13.955 525 HG23 THR 61 2HG2 THR 61 -2.678 -13.548 -14.610 526 H PHE 62 H PHE 62 -4.409 -10.142 -11.756 527 HA PHE 62 HA PHE 62 -7.155 -9.863 -11.444 528 HB2 PHE 62 1HB PHE 62 -4.930 -9.007 -10.103 529 HB3 PHE 62 2HB PHE 62 -5.563 -7.493 -10.731 530 HD1 PHE 62 HD1 PHE 62 -6.706 -10.555 -8.929 531 HD2 PHE 62 HD2 PHE 62 -7.135 -6.357 -9.496 532 HE1 PHE 62 HE1 PHE 62 -8.326 -10.473 -7.077 533 HE2 PHE 62 HE2 PHE 62 -8.753 -6.270 -7.646 534 HZ PHE 62 HZ PHE 62 -9.351 -8.327 -6.434 535 H ALA 63 H ALA 63 -8.479 -7.916 -11.746 536 HA ALA 63 HA ALA 63 -8.806 -7.173 -14.370 537 HB1 ALA 63 3HB ALA 63 -9.578 -5.134 -12.378 538 HB2 ALA 63 1HB ALA 63 -10.228 -6.755 -12.140 539 HB3 ALA 63 2HB ALA 63 -10.529 -5.898 -13.651 540 H ASN 64 H ASN 64 -7.095 -5.319 -11.836 541 HA ASN 64 HA ASN 64 -5.298 -4.216 -13.778 542 HB2 ASN 64 1HB ASN 64 -5.848 -1.849 -13.396 543 HB3 ASN 64 2HB ASN 64 -7.196 -2.709 -14.127 544 HD21 ASN 64 2HD2 ASN 64 -9.028 -3.181 -12.853 545 HD22 ASN 64 1HD2 ASN 64 -9.360 -2.300 -11.404 546 HA PRO 65 HA PRO 65 -2.794 -4.162 -10.129 547 HB2 PRO 65 1HB PRO 65 -0.679 -2.761 -11.056 548 HB3 PRO 65 2HB PRO 65 -1.026 -4.409 -11.596 549 HG2 PRO 65 1HG PRO 65 -1.633 -1.805 -12.946 550 HG3 PRO 65 2HG PRO 65 -0.993 -3.305 -13.644 551 HD2 PRO 65 1HD PRO 65 -3.609 -2.575 -13.818 552 HD3 PRO 65 2HD PRO 65 -3.072 -4.266 -13.801 553 H ASN 66 H ASN 66 -1.298 -2.381 -8.968 554 HA ASN 66 HA ASN 66 -2.821 0.137 -8.839 555 HB2 ASN 66 1HB ASN 66 -2.067 -1.738 -6.633 556 HB3 ASN 66 2HB ASN 66 -2.124 -0.011 -6.295 557 HD21 ASN 66 2HD2 ASN 66 -3.955 0.487 -5.330 558 HD22 ASN 66 1HD2 ASN 66 -5.519 -0.132 -5.723 559 H ARG 67 H ARG 67 -1.662 2.006 -8.387 560 HA ARG 67 HA ARG 67 1.237 1.794 -8.038 561 HB2 ARG 67 1HB ARG 67 -0.067 3.431 -10.226 562 HB3 ARG 67 2HB ARG 67 1.647 3.431 -9.832 563 HG2 ARG 67 1HG ARG 67 0.406 0.820 -10.476 564 HG3 ARG 67 2HG ARG 67 0.625 1.966 -11.797 565 HD2 ARG 67 1HD ARG 67 2.962 1.717 -10.060 566 HD3 ARG 67 2HD ARG 67 2.519 0.213 -10.866 567 HE ARG 67 HE ARG 67 3.678 2.524 -12.069 568 HH11 ARG 67 1HH1 ARG 67 1.528 -0.170 -12.680 569 HH12 ARG 67 2HH1 ARG 67 1.833 -0.188 -14.383 570 HH21 ARG 67 1HH2 ARG 67 4.071 2.501 -14.316 571 HH22 ARG 67 2HH2 ARG 67 3.278 1.328 -15.313 572 H THR 68 H THR 68 2.231 3.721 -7.232 573 HA THR 68 HA THR 68 0.365 5.755 -6.228 574 HB THR 68 HB THR 68 2.688 4.763 -4.593 575 HG1 THR 68 HG1 THR 68 1.525 3.192 -3.838 576 HG21 THR 68 3HG2 THR 68 1.780 6.937 -3.971 577 HG22 THR 68 1HG2 THR 68 1.488 5.720 -2.729 578 HG23 THR 68 2HG2 THR 68 0.180 6.216 -3.804 579 H PHE 69 H PHE 69 0.907 7.680 -6.943 580 HA PHE 69 HA PHE 69 3.568 8.689 -6.786 581 HB2 PHE 69 1HB PHE 69 3.829 9.180 -9.218 582 HB3 PHE 69 2HB PHE 69 3.917 7.472 -8.834 583 HD1 PHE 69 HD2 PHE 69 1.579 6.206 -9.016 584 HD2 PHE 69 HD1 PHE 69 2.577 9.823 -11.032 585 HE1 PHE 69 HE2 PHE 69 -0.158 5.749 -10.693 586 HE2 PHE 69 HE1 PHE 69 0.841 9.367 -12.713 587 HZ PHE 69 HZ PHE 69 -0.531 7.330 -12.545 588 H THR 70 H THR 70 0.422 9.133 -8.395 589 HA THR 70 HA THR 70 0.118 11.713 -7.119 590 HB THR 70 HB THR 70 1.361 12.210 -9.217 591 HG1 THR 70 HG1 THR 70 -1.313 13.155 -9.148 592 HG21 THR 70 3HG2 THR 70 -0.837 11.961 -11.040 593 HG22 THR 70 1HG2 THR 70 -0.372 10.381 -10.409 594 HG23 THR 70 2HG2 THR 70 0.828 11.403 -11.199 595 H ASP 71 H ASP 71 -1.200 9.135 -6.975 596 HA ASP 71 HA ASP 71 -3.873 9.809 -8.019 597 HB2 ASP 71 1HB ASP 71 -2.338 7.351 -8.011 598 HB3 ASP 71 2HB ASP 71 -3.890 7.123 -7.212 599 HA PRO 72 HA PRO 72 -5.486 10.058 -3.917 600 HB2 PRO 72 1HB PRO 72 -7.932 8.919 -4.141 601 HB3 PRO 72 2HB PRO 72 -7.539 10.484 -4.864 602 HG2 PRO 72 1HG PRO 72 -7.655 7.781 -6.144 603 HG3 PRO 72 2HG PRO 72 -8.257 9.333 -6.753 604 HD2 PRO 72 1HD PRO 72 -5.910 8.237 -7.566 605 HD3 PRO 72 2HD PRO 72 -6.182 9.988 -7.493 606 HA PRO 73 HA PRO 73 -4.863 6.355 -1.573 607 HB2 PRO 73 1HB PRO 73 -6.615 6.627 0.481 608 HB3 PRO 73 2HB PRO 73 -5.149 7.604 0.332 609 HG2 PRO 73 1HG PRO 73 -7.971 8.300 -0.379 610 HG3 PRO 73 2HG PRO 73 -6.747 9.288 0.439 611 HD2 PRO 73 1HD PRO 73 -7.336 9.569 -2.191 612 HD3 PRO 73 2HD PRO 73 -5.714 9.869 -1.534 613 H PHE 74 H PHE 74 -5.507 4.263 -1.604 614 HA PHE 74 HA PHE 74 -8.138 3.666 -2.722 615 HB2 PHE 74 1HB PHE 74 -5.741 1.882 -2.245 616 HB3 PHE 74 2HB PHE 74 -7.239 1.373 -3.012 617 HD1 PHE 74 HD2 PHE 74 -7.955 2.683 -5.128 618 HD2 PHE 74 HD1 PHE 74 -4.008 2.712 -3.534 619 HE1 PHE 74 HE2 PHE 74 -7.082 3.400 -7.314 620 HE2 PHE 74 HE1 PHE 74 -3.129 3.429 -5.717 621 HZ PHE 74 HZ PHE 74 -4.666 3.773 -7.610 622 H ARG 75 H ARG 75 -9.596 2.211 -1.779 623 HA ARG 75 HA ARG 75 -9.189 0.913 0.700 624 HB2 ARG 75 1HB ARG 75 -9.538 3.581 1.082 625 HB3 ARG 75 2HB ARG 75 -11.206 3.035 1.131 626 HG2 ARG 75 1HG ARG 75 -8.979 1.962 2.850 627 HG3 ARG 75 2HG ARG 75 -10.181 3.151 3.353 628 HD2 ARG 75 1HD ARG 75 -11.788 1.197 2.413 629 HD3 ARG 75 2HD ARG 75 -10.428 0.236 2.990 630 HE ARG 75 HE ARG 75 -10.990 1.959 5.040 631 HH11 ARG 75 1HH1 ARG 75 -12.815 -0.436 3.251 632 HH12 ARG 75 2HH1 ARG 75 -13.846 -0.829 4.586 633 HH21 ARG 75 1HH2 ARG 75 -12.356 1.444 6.794 634 HH22 ARG 75 2HH2 ARG 75 -13.587 0.242 6.596 635 H ILE 76 H ILE 76 -10.107 -0.741 -0.639 636 HA ILE 76 HA ILE 76 -13.044 -0.606 -0.747 637 HB ILE 76 HB ILE 76 -11.370 -1.818 -2.949 638 HG12 ILE 76 1HG1 ILE 76 -13.024 0.674 -3.252 639 HG13 ILE 76 2HG1 ILE 76 -11.364 0.776 -2.678 640 HG21 ILE 76 1HG2 ILE 76 -14.330 -1.256 -2.799 641 HG22 ILE 76 2HG2 ILE 76 -13.576 -2.840 -2.611 642 HG23 ILE 76 3HG2 ILE 76 -13.472 -1.990 -4.153 643 HD11 ILE 76 3HD1 ILE 76 -12.302 -0.330 -5.310 644 HD12 ILE 76 1HD1 ILE 76 -10.637 -0.394 -4.732 645 HD13 ILE 76 2HD1 ILE 76 -11.405 1.164 -5.034 646 H GLU 77 H GLU 77 -14.076 -2.387 -0.035 647 HA GLU 77 HA GLU 77 -12.558 -4.883 0.248 648 HB2 GLU 77 1HB GLU 77 -13.441 -5.244 2.489 649 HB3 GLU 77 2HB GLU 77 -12.514 -3.753 2.425 650 HG2 GLU 77 1HG GLU 77 -14.512 -2.436 2.415 651 HG3 GLU 77 2HG GLU 77 -15.514 -3.877 2.259 652 H GLU 78 H GLU 78 -13.680 -6.722 -0.175 653 HA GLU 78 HA GLU 78 -16.586 -6.676 -0.344 654 HB2 GLU 78 1HB GLU 78 -15.233 -6.031 -2.602 655 HB3 GLU 78 2HB GLU 78 -15.275 -7.782 -2.760 656 HG2 GLU 78 1HG GLU 78 -17.863 -6.767 -2.015 657 HG3 GLU 78 2HG GLU 78 -17.265 -5.962 -3.463 658 H GLN 79 H GLN 79 -17.222 -8.997 -1.403 659 HA GLN 79 HA GLN 79 -15.600 -11.009 0.016 660 HB2 GLN 79 1HB GLN 79 -17.703 -12.292 0.342 661 HB3 GLN 79 2HB GLN 79 -17.693 -10.749 1.183 662 HG2 GLN 79 1HG GLN 79 -19.578 -10.169 0.188 663 HG3 GLN 79 2HG GLN 79 -18.832 -10.360 -1.397 664 HE21 GLN 79 2HE2 GLN 79 -20.819 -11.832 1.039 665 HE22 GLN 79 1HE2 GLN 79 -21.363 -13.162 0.081 666 H GLY 80 H GLY 80 -14.762 -12.563 -1.208 667 HA2 GLY 80 1HA GLY 80 -16.147 -13.678 -3.465 668 HA3 GLY 80 2HA GLY 80 -14.796 -12.663 -3.943 669 H TRP 81 H TRP 81 -13.986 -14.685 -4.891 670 HA TRP 81 HA TRP 81 -12.610 -16.318 -2.861 671 HB2 TRP 81 1HB TRP 81 -12.750 -18.237 -4.416 672 HB3 TRP 81 2HB TRP 81 -14.336 -17.667 -3.916 673 HD1 TRP 81 HD1 TRP 81 -15.774 -16.285 -5.802 674 HE1 TRP 81 HE1 TRP 81 -15.743 -16.470 -8.370 675 HE3 TRP 81 HE3 TRP 81 -11.299 -18.688 -6.391 676 HZ2 TRP 81 HZ2 TRP 81 -14.047 -17.506 -10.379 677 HZ3 TRP 81 HZ3 TRP 81 -10.546 -19.241 -8.667 678 HH2 TRP 81 HH2 TRP 81 -11.894 -18.661 -10.618 679 H GLY 82 H GLY 82 -10.530 -15.775 -2.858 680 HA2 GLY 82 1HA GLY 82 -8.788 -16.250 -4.959 681 HA3 GLY 82 2HA GLY 82 -9.223 -14.554 -5.075 682 H GLY 83 H GLY 83 -6.872 -16.501 -4.033 683 HA2 GLY 83 1HA GLY 83 -5.964 -14.535 -2.063 684 HA3 GLY 83 2HA GLY 83 -6.033 -16.221 -1.569 685 H PHE 84 H PHE 84 -4.162 -13.819 -3.055 686 HA PHE 84 HA PHE 84 -2.078 -15.788 -3.653 687 HB2 PHE 84 1HB PHE 84 -3.362 -13.931 -5.590 688 HB3 PHE 84 2HB PHE 84 -1.619 -14.135 -5.711 689 HD1 PHE 84 HD1 PHE 84 -0.694 -16.457 -6.047 690 HD2 PHE 84 HD2 PHE 84 -4.835 -15.551 -6.419 691 HE1 PHE 84 HE1 PHE 84 -1.028 -18.528 -7.331 692 HE2 PHE 84 HE2 PHE 84 -5.176 -17.620 -7.702 693 HZ PHE 84 HZ PHE 84 -3.272 -19.112 -8.160 694 HA PRO 85 HA PRO 85 0.928 -13.094 -1.884 695 HB2 PRO 85 1HB PRO 85 2.362 -12.922 -4.482 696 HB3 PRO 85 2HB PRO 85 2.952 -13.427 -2.897 697 HG2 PRO 85 1HG PRO 85 2.477 -15.228 -4.790 698 HG3 PRO 85 2HG PRO 85 2.062 -15.563 -3.099 699 HD2 PRO 85 1HD PRO 85 0.282 -14.775 -5.371 700 HD3 PRO 85 2HD PRO 85 -0.007 -15.944 -4.065 701 H LEU 86 H LEU 86 2.114 -11.006 -2.094 702 HA LEU 86 HA LEU 86 0.853 -9.062 -3.888 703 HB2 LEU 86 1HB LEU 86 1.093 -8.747 -0.892 704 HB3 LEU 86 2HB LEU 86 0.595 -7.480 -1.996 705 HG LEU 86 HG LEU 86 -1.238 -9.330 -2.635 706 HD11 LEU 86 1HD1 LEU 86 -1.299 -9.779 0.267 707 HD12 LEU 86 2HD1 LEU 86 -0.031 -10.639 -0.606 708 HD13 LEU 86 3HD1 LEU 86 -1.719 -10.857 -1.063 709 HD21 LEU 86 3HD2 LEU 86 -2.676 -8.204 -0.830 710 HD22 LEU 86 1HD2 LEU 86 -1.949 -7.183 -2.070 711 HD23 LEU 86 2HD2 LEU 86 -1.230 -7.265 -0.462 712 H ASP 87 H ASP 87 2.047 -6.920 -3.811 713 HA ASP 87 HA ASP 87 4.765 -7.001 -2.827 714 HB2 ASP 87 1HB ASP 87 4.967 -8.207 -4.966 715 HB3 ASP 87 2HB ASP 87 4.240 -6.840 -5.806 716 H ILE 88 H ILE 88 4.990 -5.064 -1.922 717 HA ILE 88 HA ILE 88 3.965 -2.711 -3.378 718 HB ILE 88 HB ILE 88 4.101 -2.941 -0.370 719 HG12 ILE 88 1HG1 ILE 88 1.446 -2.804 -0.922 720 HG13 ILE 88 2HG1 ILE 88 2.005 -3.755 -2.297 721 HG21 ILE 88 1HG2 ILE 88 2.363 -0.974 -1.724 722 HG22 ILE 88 2HG2 ILE 88 4.101 -0.695 -1.832 723 HG23 ILE 88 3HG2 ILE 88 3.324 -0.822 -0.254 724 HD11 ILE 88 3HD1 ILE 88 1.379 -4.684 0.236 725 HD12 ILE 88 1HD1 ILE 88 3.141 -4.717 0.173 726 HD13 ILE 88 2HD1 ILE 88 2.199 -5.572 -1.048 727 H SER 89 H SER 89 5.548 -1.383 -3.995 728 HA SER 89 HA SER 89 8.007 -1.306 -2.365 729 HB2 SER 89 1HB SER 89 8.666 -0.420 -4.959 730 HB3 SER 89 2HB SER 89 9.159 -1.918 -4.178 731 HG SER 89 HG SER 89 8.021 -2.859 -5.661 732 H VAL 90 H VAL 90 9.069 0.674 -2.132 733 HA VAL 90 HA VAL 90 7.540 3.051 -2.943 734 HB VAL 90 HB VAL 90 8.901 2.871 -0.265 735 HG11 VAL 90 1HG1 VAL 90 7.771 4.828 0.263 736 HG12 VAL 90 2HG1 VAL 90 6.556 4.583 -0.991 737 HG13 VAL 90 3HG1 VAL 90 8.194 5.067 -1.431 738 HG21 VAL 90 3HG2 VAL 90 7.367 1.239 0.159 739 HG22 VAL 90 1HG2 VAL 90 6.249 1.813 -1.076 740 HG23 VAL 90 2HG2 VAL 90 6.359 2.651 0.470 741 H PHE 91 H PHE 91 8.712 4.637 -3.809 742 HA PHE 91 HA PHE 91 11.574 4.831 -3.261 743 HB2 PHE 91 1HB PHE 91 10.371 4.498 -6.011 744 HB3 PHE 91 2HB PHE 91 11.985 5.146 -5.749 745 HD1 PHE 91 HD2 PHE 91 13.447 3.606 -4.088 746 HD2 PHE 91 HD1 PHE 91 10.230 2.271 -6.536 747 HE1 PHE 91 HE2 PHE 91 14.354 1.321 -4.027 748 HE2 PHE 91 HE1 PHE 91 11.131 -0.016 -6.478 749 HZ PHE 91 HZ PHE 91 13.196 -0.495 -5.224 750 H LEU 92 H LEU 92 12.394 6.919 -3.450 751 HA LEU 92 HA LEU 92 10.477 9.021 -4.204 752 HB2 LEU 92 1HB LEU 92 11.768 10.335 -2.296 753 HB3 LEU 92 2HB LEU 92 10.341 9.375 -1.963 754 HG LEU 92 HG LEU 92 12.926 7.953 -1.742 755 HD11 LEU 92 1HD1 LEU 92 13.195 10.325 -0.744 756 HD12 LEU 92 2HD1 LEU 92 13.666 8.925 0.219 757 HD13 LEU 92 3HD1 LEU 92 12.127 9.729 0.527 758 HD21 LEU 92 3HD2 LEU 92 10.462 8.081 -0.007 759 HD22 LEU 92 1HD2 LEU 92 11.811 6.959 0.180 760 HD23 LEU 92 2HD2 LEU 92 10.787 6.877 -1.253 761 H LEU 93 H LEU 93 13.919 8.479 -3.393 762 HA LEU 93 HA LEU 93 14.911 9.374 -5.845 763 HB2 LEU 93 1HB LEU 93 15.973 11.546 -4.892 764 HB3 LEU 93 2HB LEU 93 14.341 11.580 -5.527 765 HG LEU 93 HG LEU 93 14.217 11.001 -2.725 766 HD11 LEU 93 1HD1 LEU 93 15.090 13.458 -2.205 767 HD12 LEU 93 2HD1 LEU 93 16.185 13.065 -3.530 768 HD13 LEU 93 3HD1 LEU 93 16.135 12.042 -2.096 769 HD21 LEU 93 3HD2 LEU 93 12.509 12.461 -2.832 770 HD22 LEU 93 1HD2 LEU 93 12.743 12.319 -4.575 771 HD23 LEU 93 2HD2 LEU 93 13.459 13.671 -3.696 772 H GLU 94 H GLU 94 15.525 9.388 -2.347 773 HA GLU 94 HA GLU 94 18.174 8.230 -2.868 774 HB2 GLU 94 1HB GLU 94 17.765 10.651 -1.694 775 HB3 GLU 94 2HB GLU 94 17.766 9.601 -0.282 776 HG2 GLU 94 1HG GLU 94 19.977 9.968 -0.352 777 HG3 GLU 94 2HG GLU 94 19.948 8.675 -1.548 778 H LYS 95 H LYS 95 18.884 7.327 -0.453 779 HA LYS 95 HA LYS 95 16.888 5.250 0.031 780 HB2 LYS 95 1HB LYS 95 19.813 5.489 0.686 781 HB3 LYS 95 2HB LYS 95 18.808 4.201 1.336 782 HG2 LYS 95 1HG LYS 95 19.712 3.193 -0.515 783 HG3 LYS 95 2HG LYS 95 18.180 3.799 -1.152 784 HD2 LYS 95 1HD LYS 95 19.884 5.923 -1.528 785 HD3 LYS 95 2HD LYS 95 20.917 4.531 -1.852 786 HE2 LYS 95 1HE LYS 95 19.111 3.682 -3.382 787 HE3 LYS 95 2HE LYS 95 18.303 5.235 -3.176 788 HZ1 LYS 95 3HZ LYS 95 21.073 4.921 -4.208 789 HZ2 LYS 95 1HZ LYS 95 20.165 6.349 -4.148 790 HZ3 LYS 95 2HZ LYS 95 19.707 5.098 -5.190 791 H ALA 96 H ALA 96 15.568 6.932 1.160 792 HA ALA 96 HA ALA 96 16.436 7.281 3.958 793 HB1 ALA 96 3HB ALA 96 15.803 9.291 2.387 794 HB2 ALA 96 1HB ALA 96 15.301 9.273 4.077 795 HB3 ALA 96 2HB ALA 96 14.157 8.824 2.814 796 H GLY 97 H GLY 97 13.559 6.672 1.946 797 HA2 GLY 97 1HA GLY 97 12.613 4.764 3.955 798 HA3 GLY 97 2HA GLY 97 11.554 6.101 3.539 799 H GLU 98 H GLU 98 13.665 4.472 1.246 800 HA GLU 98 HA GLU 98 11.284 3.615 -0.234 801 HB2 GLU 98 1HB GLU 98 12.943 3.341 -2.141 802 HB3 GLU 98 2HB GLU 98 12.646 4.986 -1.599 803 HG2 GLU 98 1HG GLU 98 14.736 5.192 -0.650 804 HG3 GLU 98 2HG GLU 98 14.944 3.452 -0.474 805 H ARG 99 H ARG 99 10.717 1.610 0.432 806 HA ARG 99 HA ARG 99 12.697 -0.517 0.094 807 HB2 ARG 99 1HB ARG 99 12.107 0.394 2.607 808 HB3 ARG 99 2HB ARG 99 10.952 -0.919 2.426 809 HG2 ARG 99 1HG ARG 99 12.690 -2.504 2.054 810 HG3 ARG 99 2HG ARG 99 13.902 -1.228 1.933 811 HD2 ARG 99 1HD ARG 99 14.289 -1.632 4.099 812 HD3 ARG 99 2HD ARG 99 12.795 -0.743 4.387 813 HE ARG 99 HE ARG 99 11.767 -2.709 4.966 814 HH11 ARG 99 1HH1 ARG 99 14.813 -3.447 3.402 815 HH12 ARG 99 2HH1 ARG 99 14.756 -5.128 3.812 816 HH21 ARG 99 1HH2 ARG 99 11.697 -4.929 5.498 817 HH22 ARG 99 2HH2 ARG 99 12.990 -5.970 5.001 818 H LYS 100 H LYS 100 11.831 -2.581 -0.317 819 HA LYS 100 HA LYS 100 9.050 -2.537 -1.274 820 HB2 LYS 100 1HB LYS 100 11.128 -4.607 -1.970 821 HB3 LYS 100 2HB LYS 100 9.636 -4.234 -2.823 822 HG2 LYS 100 1HG LYS 100 10.786 -1.886 -3.126 823 HG3 LYS 100 2HG LYS 100 12.255 -2.831 -2.871 824 HD2 LYS 100 1HD LYS 100 10.234 -3.851 -4.804 825 HD3 LYS 100 2HD LYS 100 11.235 -2.480 -5.285 826 HE2 LYS 100 1HE LYS 100 13.050 -3.760 -5.546 827 HE3 LYS 100 2HE LYS 100 12.765 -4.621 -4.034 828 HZ1 LYS 100 3HZ LYS 100 12.668 -6.055 -6.021 829 HZ2 LYS 100 1HZ LYS 100 11.329 -5.181 -6.574 830 HZ3 LYS 100 2HZ LYS 100 11.226 -6.066 -5.137 831 H ILE 101 H ILE 101 7.556 -3.680 -0.194 832 HA ILE 101 HA ILE 101 8.481 -5.859 1.569 833 HB ILE 101 HB ILE 101 6.121 -4.063 2.128 834 HG12 ILE 101 1HG1 ILE 101 8.405 -3.886 3.952 835 HG13 ILE 101 2HG1 ILE 101 8.782 -3.327 2.327 836 HG21 ILE 101 1HG2 ILE 101 6.016 -5.113 4.254 837 HG22 ILE 101 2HG2 ILE 101 7.547 -5.948 3.990 838 HG23 ILE 101 3HG2 ILE 101 6.122 -6.400 3.055 839 HD11 ILE 101 3HD1 ILE 101 7.847 -1.693 4.141 840 HD12 ILE 101 1HD1 ILE 101 6.294 -2.351 3.625 841 HD13 ILE 101 2HD1 ILE 101 7.348 -1.555 2.455 842 HA PRO 102 HA PRO 102 5.476 -8.068 -0.971 843 HB2 PRO 102 1HB PRO 102 6.392 -10.532 -0.495 844 HB3 PRO 102 2HB PRO 102 7.292 -9.407 -1.519 845 HG2 PRO 102 1HG PRO 102 7.764 -10.164 1.334 846 HG3 PRO 102 2HG PRO 102 8.940 -9.906 0.034 847 HD2 PRO 102 1HD PRO 102 8.292 -8.040 1.973 848 HD3 PRO 102 2HD PRO 102 9.017 -7.659 0.400 849 H HIS 103 H HIS 103 3.625 -9.320 -0.527 850 HA HIS 103 HA HIS 103 3.172 -10.076 2.272 851 HB2 HIS 103 1HB HIS 103 1.818 -7.967 0.777 852 HB3 HIS 103 2HB HIS 103 0.695 -9.148 1.442 853 HD1 HIS 103 HD1 HIS 103 -0.194 -8.256 3.561 854 HD2 HIS 103 HD2 HIS 103 3.848 -7.416 3.118 855 HE1 HIS 103 HE1 HIS 103 0.488 -7.095 5.684 856 HE2 HIS 103 HE2 HIS 103 2.975 -6.779 5.465 857 H ASP 104 H ASP 104 1.036 -11.340 2.466 858 HA ASP 104 HA ASP 104 0.560 -12.991 0.083 859 HB2 ASP 104 1HB ASP 104 1.028 -14.055 2.878 860 HB3 ASP 104 2HB ASP 104 0.508 -15.019 1.500 861 H LEU 105 H LEU 105 -1.537 -13.282 -0.346 862 HA LEU 105 HA LEU 105 -3.474 -12.523 1.733 863 HB2 LEU 105 1HB LEU 105 -3.505 -11.150 -0.314 864 HB3 LEU 105 2HB LEU 105 -3.822 -12.588 -1.264 865 HG LEU 105 HG LEU 105 -5.888 -12.728 0.463 866 HD11 LEU 105 1HD1 LEU 105 -6.712 -10.221 0.340 867 HD12 LEU 105 2HD1 LEU 105 -4.979 -9.903 0.403 868 HD13 LEU 105 3HD1 LEU 105 -5.756 -10.819 1.695 869 HD21 LEU 105 3HD2 LEU 105 -7.197 -12.286 -1.354 870 HD22 LEU 105 1HD2 LEU 105 -5.651 -12.532 -2.163 871 HD23 LEU 105 2HD2 LEU 105 -6.232 -10.897 -1.852 872 H ASN 106 H ASN 106 -4.156 -14.303 2.762 873 HA ASN 106 HA ASN 106 -5.097 -16.532 1.097 874 HB2 ASN 106 1HB ASN 106 -2.975 -16.628 2.931 875 HB3 ASN 106 2HB ASN 106 -4.320 -17.446 3.721 876 HD21 ASN 106 2HD2 ASN 106 -3.275 -17.227 0.333 877 HD22 ASN 106 1HD2 ASN 106 -3.184 -18.932 0.072 878 H PHE 107 H PHE 107 -6.644 -17.978 2.321 879 HA PHE 107 HA PHE 107 -8.646 -16.258 3.556 880 HB2 PHE 107 1HB PHE 107 -10.111 -18.342 3.221 881 HB3 PHE 107 2HB PHE 107 -9.587 -17.467 1.791 882 HD1 PHE 107 HD1 PHE 107 -8.824 -20.431 3.891 883 HD2 PHE 107 HD2 PHE 107 -8.416 -18.559 0.089 884 HE1 PHE 107 HE1 PHE 107 -7.882 -22.510 2.971 885 HE2 PHE 107 HE2 PHE 107 -7.474 -20.635 -0.834 886 HZ PHE 107 HZ PHE 107 -7.205 -22.613 0.606 887 H LEU 108 H LEU 108 -10.034 -17.187 5.266 888 HA LEU 108 HA LEU 108 -10.454 -18.258 7.241 889 HB2 LEU 108 1HB LEU 108 -9.036 -20.149 6.264 890 HB3 LEU 108 2HB LEU 108 -7.710 -19.467 7.177 891 HG LEU 108 HG LEU 108 -9.572 -19.704 9.136 892 HD11 LEU 108 1HD1 LEU 108 -10.268 -22.226 8.646 893 HD12 LEU 108 2HD1 LEU 108 -10.267 -21.623 6.989 894 HD13 LEU 108 3HD1 LEU 108 -11.290 -20.859 8.206 895 HD21 LEU 108 3HD2 LEU 108 -7.109 -20.643 8.685 896 HD22 LEU 108 1HD2 LEU 108 -8.016 -22.151 8.566 897 HD23 LEU 108 2HD2 LEU 108 -8.110 -21.180 10.034 898 H GLN 109 H GLN 109 -10.085 -15.810 7.517 899 HA GLN 109 HA GLN 109 -9.513 -14.128 8.916 900 HB2 GLN 109 1HB GLN 109 -9.869 -15.885 10.655 901 HB3 GLN 109 2HB GLN 109 -8.149 -16.236 10.591 902 HG2 GLN 109 1HG GLN 109 -8.655 -13.414 10.987 903 HG3 GLN 109 2HG GLN 109 -9.413 -14.405 12.233 904 HE21 GLN 109 2HE2 GLN 109 -8.141 -14.247 13.960 905 HE22 GLN 109 1HE2 GLN 109 -6.433 -14.511 13.975 906 H GLU 110 H GLU 110 -8.140 -12.725 8.096 907 HA GLU 110 HA GLU 110 -5.268 -13.311 8.235 908 HB2 GLU 110 1HB GLU 110 -6.163 -13.610 5.887 909 HB3 GLU 110 2HB GLU 110 -6.545 -11.895 5.901 910 HG2 GLU 110 1HG GLU 110 -4.513 -11.880 4.857 911 HG3 GLU 110 2HG GLU 110 -4.031 -11.620 6.534 912 H SER 111 H SER 111 -4.135 -11.766 9.151 913 HA SER 111 HA SER 111 -5.231 -9.038 9.283 914 HB2 SER 111 1HB SER 111 -4.301 -8.846 11.584 915 HB3 SER 111 2HB SER 111 -5.565 -10.069 11.473 916 HG SER 111 HG SER 111 -2.795 -10.387 11.796 917 H TYR 112 H TYR 112 -3.770 -9.123 7.303 918 HA TYR 112 HA TYR 112 -0.959 -8.700 8.048 919 HB2 TYR 112 1HB TYR 112 -2.307 -9.714 5.585 920 HB3 TYR 112 2HB TYR 112 -0.788 -8.849 5.404 921 HD1 TYR 112 HD2 TYR 112 -2.007 -11.352 7.911 922 HD2 TYR 112 HD1 TYR 112 0.916 -10.337 4.989 923 HE1 TYR 112 HE2 TYR 112 -0.772 -13.412 8.437 924 HE2 TYR 112 HE1 TYR 112 2.157 -12.394 5.507 925 HH TYR 112 HH TYR 112 2.058 -14.025 8.024 926 H GLU 113 H GLU 113 -0.310 -6.674 8.165 927 HA GLU 113 HA GLU 113 -1.036 -4.735 6.173 928 HB2 GLU 113 1HB GLU 113 -2.291 -3.256 7.464 929 HB3 GLU 113 2HB GLU 113 -2.940 -4.826 7.894 930 HG2 GLU 113 1HG GLU 113 -2.656 -4.248 10.010 931 HG3 GLU 113 2HG GLU 113 -0.925 -4.425 9.744 932 H VAL 114 H VAL 114 0.224 -2.799 6.275 933 HA VAL 114 HA VAL 114 2.382 -2.755 8.261 934 HB VAL 114 HB VAL 114 2.923 -2.447 5.306 935 HG11 VAL 114 1HG1 VAL 114 5.308 -2.734 6.130 936 HG12 VAL 114 2HG1 VAL 114 4.673 -2.457 7.751 937 HG13 VAL 114 3HG1 VAL 114 4.518 -1.205 6.517 938 HG21 VAL 114 3HG2 VAL 114 2.288 -4.777 5.988 939 HG22 VAL 114 1HG2 VAL 114 3.704 -4.779 7.040 940 HG23 VAL 114 2HG2 VAL 114 3.901 -4.611 5.296 941 H GLU 115 H GLU 115 3.330 -0.743 8.616 942 HA GLU 115 HA GLU 115 2.154 1.556 7.226 943 HB2 GLU 115 1HB GLU 115 2.566 1.592 10.209 944 HB3 GLU 115 2HB GLU 115 1.625 2.699 9.218 945 HG2 GLU 115 1HG GLU 115 -0.036 0.980 8.823 946 HG3 GLU 115 2HG GLU 115 0.923 -0.183 9.733 947 H HIS 116 H HIS 116 3.854 2.454 6.243 948 HA HIS 116 HA HIS 116 6.376 2.704 7.755 949 HB2 HIS 116 1HB HIS 116 5.785 2.135 4.903 950 HB3 HIS 116 2HB HIS 116 7.171 3.167 5.230 951 HD1 HIS 116 HD1 HIS 116 6.451 0.474 7.688 952 HD2 HIS 116 HD2 HIS 116 8.855 1.065 4.349 953 HE1 HIS 116 HE1 HIS 116 8.109 -1.414 7.711 954 HE2 HIS 116 HE2 HIS 116 9.587 -1.009 5.711 955 H VAL 117 H VAL 117 7.472 4.664 7.771 956 HA VAL 117 HA VAL 117 6.015 6.977 6.677 957 HB VAL 117 HB VAL 117 5.627 6.850 9.096 958 HG11 VAL 117 1HG1 VAL 117 8.511 7.405 9.636 959 HG12 VAL 117 2HG1 VAL 117 7.964 5.739 9.443 960 HG13 VAL 117 3HG1 VAL 117 7.269 6.753 10.707 961 HG21 VAL 117 3HG2 VAL 117 5.832 9.092 9.427 962 HG22 VAL 117 1HG2 VAL 117 6.186 9.044 7.701 963 HG23 VAL 117 2HG2 VAL 117 7.503 9.136 8.869 964 H ILE 118 H ILE 118 7.201 8.318 5.477 965 HA ILE 118 HA ILE 118 10.140 8.165 5.678 966 HB ILE 118 HB ILE 118 8.624 8.789 3.144 967 HG12 ILE 118 1HG1 ILE 118 9.591 6.394 2.560 968 HG13 ILE 118 2HG1 ILE 118 9.479 6.166 4.303 969 HG21 ILE 118 1HG2 ILE 118 11.510 8.140 3.714 970 HG22 ILE 118 2HG2 ILE 118 10.847 9.665 3.126 971 HG23 ILE 118 3HG2 ILE 118 10.816 8.234 2.096 972 HD11 ILE 118 3HD1 ILE 118 7.034 7.285 3.469 973 HD12 ILE 118 1HD1 ILE 118 7.347 5.651 4.058 974 HD13 ILE 118 2HD1 ILE 118 7.433 5.998 2.331 975 H GLN 119 H GLN 119 10.845 9.986 6.590 976 HA GLN 119 HA GLN 119 9.658 12.544 5.725 977 HB2 GLN 119 1HB GLN 119 9.294 11.700 8.181 978 HB3 GLN 119 2HB GLN 119 10.953 12.231 8.409 979 HG2 GLN 119 1HG GLN 119 10.104 14.448 7.349 980 HG3 GLN 119 2HG GLN 119 8.516 13.841 7.813 981 HE21 GLN 119 2HE2 GLN 119 8.251 13.222 10.091 982 HE22 GLN 119 1HE2 GLN 119 9.084 14.141 11.294 983 H ILE 120 H ILE 120 11.042 13.834 4.697 984 HA ILE 120 HA ILE 120 13.839 13.918 5.499 985 HB ILE 120 HB ILE 120 14.581 13.754 3.085 986 HG12 ILE 120 1HG1 ILE 120 12.582 11.992 2.137 987 HG13 ILE 120 2HG1 ILE 120 11.741 13.425 2.717 988 HG21 ILE 120 1HG2 ILE 120 13.392 11.226 4.204 989 HG22 ILE 120 2HG2 ILE 120 14.860 11.981 4.822 990 HG23 ILE 120 3HG2 ILE 120 14.807 11.381 3.164 991 HD11 ILE 120 3HD1 ILE 120 13.341 13.048 0.339 992 HD12 ILE 120 1HD1 ILE 120 13.853 14.451 1.275 993 HD13 ILE 120 2HD1 ILE 120 12.180 14.314 0.737 994 HA PRO 121 HA PRO 121 11.938 18.025 4.302 995 HB2 PRO 121 1HB PRO 121 12.657 19.312 6.592 996 HB3 PRO 121 2HB PRO 121 11.132 18.441 6.410 997 HG2 PRO 121 1HG PRO 121 13.671 17.574 7.728 998 HG3 PRO 121 2HG PRO 121 11.995 17.333 8.254 999 HD2 PRO 121 1HD PRO 121 13.451 15.389 7.046 1000 HD3 PRO 121 2HD PRO 121 11.691 15.517 6.872 1001 H LEU 122 H LEU 122 15.003 17.345 5.994 1002 HA LEU 122 HA LEU 122 16.322 19.310 4.233 1003 HB2 LEU 122 1HB LEU 122 16.507 18.863 7.114 1004 HB3 LEU 122 2HB LEU 122 18.074 18.852 6.330 1005 HG LEU 122 HG LEU 122 17.172 21.089 5.237 1006 HD11 LEU 122 1HD1 LEU 122 15.702 22.341 6.584 1007 HD12 LEU 122 2HD1 LEU 122 15.769 21.164 7.895 1008 HD13 LEU 122 3HD1 LEU 122 14.937 20.763 6.391 1009 HD21 LEU 122 3HD2 LEU 122 18.510 20.544 7.831 1010 HD22 LEU 122 1HD2 LEU 122 18.018 22.204 7.491 1011 HD23 LEU 122 2HD2 LEU 122 19.115 21.367 6.392 1012 H ASN 123 H ASN 123 16.774 16.242 5.968 1013 HA ASN 123 HA ASN 123 17.868 14.332 5.428 1014 HB2 ASN 123 1HB ASN 123 16.890 15.100 3.055 1015 HB3 ASN 123 2HB ASN 123 18.605 15.237 2.691 1016 HD21 ASN 123 2HD2 ASN 123 19.901 13.362 2.739 1017 HD22 ASN 123 1HD2 ASN 123 19.203 11.784 2.665 Start of MODEL 11 1 H1 MET 1 1H MET 1 15.675 23.613 -1.522 2 H2 MET 1 2H MET 1 16.690 24.090 -2.822 3 H3 MET 1 3H MET 1 14.999 24.361 -2.907 4 HA MET 1 HA MET 1 16.979 25.664 -1.173 5 HB2 MET 1 1HB MET 1 16.215 26.254 -3.692 6 HB3 MET 1 2HB MET 1 14.956 27.105 -2.806 7 HG2 MET 1 1HG MET 1 16.476 28.545 -1.789 8 HG3 MET 1 2HG MET 1 17.847 27.492 -2.132 9 HE1 MET 1 3HE MET 1 18.687 30.579 -3.344 10 HE2 MET 1 1HE MET 1 19.482 29.495 -4.486 11 HE3 MET 1 2HE MET 1 19.283 29.011 -2.801 12 H VAL 2 H VAL 2 16.077 25.044 0.808 13 HA VAL 2 HA VAL 2 14.753 25.214 2.640 14 HB VAL 2 HB VAL 2 13.415 27.538 1.247 15 HG11 VAL 2 1HG1 VAL 2 13.808 26.993 4.186 16 HG12 VAL 2 2HG1 VAL 2 12.324 26.655 3.295 17 HG13 VAL 2 3HG1 VAL 2 12.895 28.315 3.462 18 HG21 VAL 2 3HG2 VAL 2 15.904 27.732 1.273 19 HG22 VAL 2 1HG2 VAL 2 15.845 27.637 3.034 20 HG23 VAL 2 2HG2 VAL 2 15.079 28.987 2.195 21 H ALA 3 H ALA 3 13.669 23.263 2.398 22 HA ALA 3 HA ALA 3 10.835 23.498 1.798 23 HB1 ALA 3 3HB ALA 3 12.607 21.580 0.289 24 HB2 ALA 3 1HB ALA 3 11.705 22.939 -0.382 25 HB3 ALA 3 2HB ALA 3 10.844 21.548 0.277 26 H THR 4 H THR 4 9.833 21.115 2.056 27 HA THR 4 HA THR 4 11.169 19.691 4.236 28 HB THR 4 HB THR 4 9.766 21.149 5.481 29 HG1 THR 4 HG1 THR 4 9.099 19.516 6.585 30 HG21 THR 4 3HG2 THR 4 7.522 20.426 3.614 31 HG22 THR 4 1HG2 THR 4 8.300 22.000 3.774 32 HG23 THR 4 2HG2 THR 4 7.347 21.349 5.107 33 H VAL 5 H VAL 5 10.590 17.516 4.436 34 HA VAL 5 HA VAL 5 8.814 16.468 2.338 35 HB VAL 5 HB VAL 5 11.364 15.120 3.231 36 HG11 VAL 5 1HG1 VAL 5 10.208 13.382 2.363 37 HG12 VAL 5 2HG1 VAL 5 10.788 14.053 0.838 38 HG13 VAL 5 3HG1 VAL 5 9.156 14.418 1.398 39 HG21 VAL 5 3HG2 VAL 5 11.878 17.211 2.057 40 HG22 VAL 5 1HG2 VAL 5 10.874 16.691 0.702 41 HG23 VAL 5 2HG2 VAL 5 12.341 15.800 1.108 42 H LYS 6 H LYS 6 7.172 15.401 3.180 43 HA LYS 6 HA LYS 6 7.582 13.726 5.549 44 HB2 LYS 6 1HB LYS 6 5.874 16.104 5.354 45 HB3 LYS 6 2HB LYS 6 5.027 14.677 5.933 46 HG2 LYS 6 1HG LYS 6 6.686 14.404 7.704 47 HG3 LYS 6 2HG LYS 6 7.536 15.839 7.126 48 HD2 LYS 6 1HD LYS 6 5.093 16.886 7.413 49 HD3 LYS 6 2HD LYS 6 4.986 15.606 8.622 50 HE2 LYS 6 1HE LYS 6 7.509 16.977 8.826 51 HE3 LYS 6 2HE LYS 6 6.177 18.129 8.899 52 HZ1 LYS 6 3HZ LYS 6 5.420 17.272 10.845 53 HZ2 LYS 6 1HZ LYS 6 7.056 16.886 11.031 54 HZ3 LYS 6 2HZ LYS 6 5.961 15.703 10.521 55 H ARG 7 H ARG 7 7.003 11.724 5.033 56 HA ARG 7 HA ARG 7 4.557 11.279 3.496 57 HB2 ARG 7 1HB ARG 7 7.299 10.674 2.592 58 HB3 ARG 7 2HB ARG 7 6.153 9.353 2.412 59 HG2 ARG 7 1HG ARG 7 5.017 10.382 0.762 60 HG3 ARG 7 2HG ARG 7 5.216 11.985 1.474 61 HD2 ARG 7 1HD ARG 7 6.969 12.429 0.172 62 HD3 ARG 7 2HD ARG 7 7.751 10.911 0.598 63 HE ARG 7 HE ARG 7 6.193 11.468 -1.762 64 HH11 ARG 7 1HH1 ARG 7 7.408 8.952 0.347 65 HH12 ARG 7 2HH1 ARG 7 7.389 7.736 -0.886 66 HH21 ARG 7 1HH2 ARG 7 6.171 9.857 -3.385 67 HH22 ARG 7 2HH2 ARG 7 6.701 8.253 -3.006 68 H THR 8 H THR 8 4.013 8.882 3.446 69 HA THR 8 HA THR 8 5.106 7.101 5.347 70 HB THR 8 HB THR 8 4.120 8.626 6.983 71 HG1 THR 8 HG1 THR 8 2.660 6.209 6.721 72 HG21 THR 8 3HG2 THR 8 1.337 8.100 6.525 73 HG22 THR 8 1HG2 THR 8 2.052 8.945 5.153 74 HG23 THR 8 2HG2 THR 8 2.173 9.636 6.770 75 H ILE 9 H ILE 9 4.461 5.056 4.854 76 HA ILE 9 HA ILE 9 2.190 4.814 3.000 77 HB ILE 9 HB ILE 9 4.360 4.129 2.053 78 HG12 ILE 9 1HG1 ILE 9 3.611 1.826 1.323 79 HG13 ILE 9 2HG1 ILE 9 2.290 1.970 2.478 80 HG21 ILE 9 1HG2 ILE 9 4.963 3.122 4.480 81 HG22 ILE 9 2HG2 ILE 9 5.786 2.659 2.990 82 HG23 ILE 9 3HG2 ILE 9 4.492 1.648 3.632 83 HD11 ILE 9 3HD1 ILE 9 1.319 3.758 1.284 84 HD12 ILE 9 1HD1 ILE 9 1.743 2.530 0.092 85 HD13 ILE 9 2HD1 ILE 9 2.754 3.962 0.280 86 H ARG 10 H ARG 10 0.417 3.970 3.805 87 HA ARG 10 HA ARG 10 0.648 1.961 5.944 88 HB2 ARG 10 1HB ARG 10 -1.124 4.361 5.726 89 HB3 ARG 10 2HB ARG 10 -1.715 2.938 6.572 90 HG2 ARG 10 1HG ARG 10 0.338 3.038 8.000 91 HG3 ARG 10 2HG ARG 10 0.710 4.586 7.239 92 HD2 ARG 10 1HD ARG 10 -1.542 5.391 7.987 93 HD3 ARG 10 2HD ARG 10 -1.702 3.891 8.903 94 HE ARG 10 HE ARG 10 0.712 5.321 9.494 95 HH11 ARG 10 1HH1 ARG 10 -2.697 5.070 10.260 96 HH12 ARG 10 2HH1 ARG 10 -2.518 5.764 11.835 97 HH21 ARG 10 1HH2 ARG 10 0.938 6.236 11.564 98 HH22 ARG 10 2HH2 ARG 10 -0.455 6.426 12.575 99 H ILE 11 H ILE 11 0.146 0.070 5.029 100 HA ILE 11 HA ILE 11 -2.213 -0.032 3.260 101 HB ILE 11 HB ILE 11 -1.226 -1.996 2.168 102 HG12 ILE 11 1HG1 ILE 11 1.482 -1.874 2.783 103 HG13 ILE 11 2HG1 ILE 11 0.696 -1.745 4.351 104 HG21 ILE 11 1HG2 ILE 11 -0.714 0.554 1.616 105 HG22 ILE 11 2HG2 ILE 11 -0.017 -0.772 0.687 106 HG23 ILE 11 3HG2 ILE 11 0.934 0.021 1.942 107 HD11 ILE 11 3HD1 ILE 11 0.304 -3.943 2.335 108 HD12 ILE 11 1HD1 ILE 11 -0.552 -3.805 3.870 109 HD13 ILE 11 2HD1 ILE 11 1.194 -4.048 3.853 110 H LYS 12 H LYS 12 -3.857 -1.283 3.880 111 HA LYS 12 HA LYS 12 -3.404 -3.174 6.097 112 HB2 LYS 12 1HB LYS 12 -5.769 -1.425 5.443 113 HB3 LYS 12 2HB LYS 12 -5.895 -2.790 6.541 114 HG2 LYS 12 1HG LYS 12 -5.555 -0.986 7.954 115 HG3 LYS 12 2HG LYS 12 -3.946 -1.693 7.805 116 HD2 LYS 12 1HD LYS 12 -3.324 -0.018 6.169 117 HD3 LYS 12 2HD LYS 12 -4.958 0.646 6.184 118 HE2 LYS 12 1HE LYS 12 -3.669 2.075 7.548 119 HE3 LYS 12 2HE LYS 12 -4.615 1.080 8.652 120 HZ1 LYS 12 3HZ LYS 12 -2.478 1.074 9.543 121 HZ2 LYS 12 1HZ LYS 12 -1.728 0.904 8.036 122 HZ3 LYS 12 2HZ LYS 12 -2.555 -0.401 8.722 123 H THR 13 H THR 13 -3.756 -5.259 5.681 124 HA THR 13 HA THR 13 -5.555 -5.969 3.464 125 HB THR 13 HB THR 13 -2.851 -7.181 4.064 126 HG1 THR 13 HG1 THR 13 -3.825 -5.455 2.072 127 HG21 THR 13 3HG2 THR 13 -5.078 -8.370 2.769 128 HG22 THR 13 1HG2 THR 13 -3.447 -9.002 2.978 129 HG23 THR 13 2HG2 THR 13 -3.839 -8.026 1.564 130 H GLN 14 H GLN 14 -7.080 -7.393 3.986 131 HA GLN 14 HA GLN 14 -6.613 -9.286 6.174 132 HB2 GLN 14 1HB GLN 14 -9.177 -7.707 5.951 133 HB3 GLN 14 2HB GLN 14 -8.695 -8.793 7.247 134 HG2 GLN 14 1HG GLN 14 -7.016 -7.268 7.993 135 HG3 GLN 14 2HG GLN 14 -7.262 -6.232 6.590 136 HE21 GLN 14 2HE2 GLN 14 -7.407 -4.799 8.650 137 HE22 GLN 14 1HE2 GLN 14 -9.014 -4.495 9.208 138 H GLN 15 H GLN 15 -8.144 -11.110 6.180 139 HA GLN 15 HA GLN 15 -9.778 -11.473 3.814 140 HB2 GLN 15 1HB GLN 15 -7.716 -12.188 2.868 141 HB3 GLN 15 2HB GLN 15 -7.283 -13.093 4.310 142 HG2 GLN 15 1HG GLN 15 -8.372 -14.915 3.629 143 HG3 GLN 15 2HG GLN 15 -9.782 -13.992 3.118 144 HE21 GLN 15 2HE2 GLN 15 -6.440 -14.665 2.142 145 HE22 GLN 15 1HE2 GLN 15 -6.769 -14.714 0.446 146 H HIS 16 H HIS 16 -11.355 -13.053 4.040 147 HA HIS 16 HA HIS 16 -11.300 -14.716 6.450 148 HB2 HIS 16 1HB HIS 16 -13.824 -13.228 5.810 149 HB3 HIS 16 2HB HIS 16 -13.325 -13.969 7.325 150 HD1 HIS 16 HD1 HIS 16 -11.334 -12.659 8.612 151 HD2 HIS 16 HD2 HIS 16 -13.352 -10.548 5.654 152 HE1 HIS 16 HE1 HIS 16 -10.800 -10.238 9.031 153 HE2 HIS 16 HE2 HIS 16 -12.082 -8.974 7.267 154 H ILE 17 H ILE 17 -11.701 -16.748 5.845 155 HA ILE 17 HA ILE 17 -13.454 -17.179 3.508 156 HB ILE 17 HB ILE 17 -11.478 -19.227 4.458 157 HG12 ILE 17 1HG1 ILE 17 -10.872 -17.048 2.445 158 HG13 ILE 17 2HG1 ILE 17 -10.251 -17.078 4.090 159 HG21 ILE 17 1HG2 ILE 17 -11.561 -19.885 2.074 160 HG22 ILE 17 2HG2 ILE 17 -12.766 -18.626 1.801 161 HG23 ILE 17 3HG2 ILE 17 -13.126 -19.975 2.878 162 HD11 ILE 17 3HD1 ILE 17 -9.706 -19.553 2.701 163 HD12 ILE 17 1HD1 ILE 17 -8.606 -18.449 3.526 164 HD13 ILE 17 2HD1 ILE 17 -9.056 -18.155 1.847 165 H LEU 18 H LEU 18 -15.430 -17.554 4.380 166 HA LEU 18 HA LEU 18 -16.083 -20.023 5.479 167 HB2 LEU 18 1HB LEU 18 -14.925 -19.337 7.494 168 HB3 LEU 18 2HB LEU 18 -15.834 -17.840 7.552 169 HG LEU 18 HG LEU 18 -17.917 -19.349 7.787 170 HD11 LEU 18 1HD1 LEU 18 -16.252 -21.373 7.277 171 HD12 LEU 18 2HD1 LEU 18 -17.704 -21.550 8.263 172 HD13 LEU 18 3HD1 LEU 18 -16.133 -21.348 9.037 173 HD21 LEU 18 3HD2 LEU 18 -15.863 -18.652 9.802 174 HD22 LEU 18 1HD2 LEU 18 -17.132 -19.770 10.302 175 HD23 LEU 18 2HD2 LEU 18 -17.557 -18.172 9.689 176 HA PRO 19 HA PRO 19 -19.929 -18.124 4.221 177 HB2 PRO 19 1HB PRO 19 -21.444 -20.340 4.186 178 HB3 PRO 19 2HB PRO 19 -20.188 -20.052 2.975 179 HG2 PRO 19 1HG PRO 19 -20.151 -21.839 5.363 180 HG3 PRO 19 2HG PRO 19 -19.449 -22.095 3.757 181 HD2 PRO 19 1HD PRO 19 -18.048 -21.257 6.010 182 HD3 PRO 19 2HD PRO 19 -17.501 -21.069 4.336 183 H GLU 20 H GLU 20 -19.958 -20.468 6.906 184 HA GLU 20 HA GLU 20 -21.071 -18.751 8.797 185 HB2 GLU 20 1HB GLU 20 -23.096 -18.884 7.383 186 HB3 GLU 20 2HB GLU 20 -23.095 -20.632 7.559 187 HG2 GLU 20 1HG GLU 20 -23.481 -20.419 9.942 188 HG3 GLU 20 2HG GLU 20 -23.403 -18.662 9.816 189 H VAL 21 H VAL 21 -21.222 -22.124 7.689 190 HA VAL 21 HA VAL 21 -20.295 -22.977 10.355 191 HB VAL 21 HB VAL 21 -22.607 -23.700 9.968 192 HG11 VAL 21 1HG1 VAL 21 -23.101 -25.356 8.194 193 HG12 VAL 21 2HG1 VAL 21 -21.486 -25.093 7.539 194 HG13 VAL 21 3HG1 VAL 21 -22.654 -23.772 7.559 195 HG21 VAL 21 3HG2 VAL 21 -21.343 -25.151 11.348 196 HG22 VAL 21 1HG2 VAL 21 -20.517 -25.866 9.963 197 HG23 VAL 21 2HG2 VAL 21 -22.229 -26.184 10.228 198 HA PRO 22 HA PRO 22 -16.674 -24.509 8.286 199 HB2 PRO 22 1HB PRO 22 -16.123 -26.609 10.002 200 HB3 PRO 22 2HB PRO 22 -15.643 -24.931 10.268 201 HG2 PRO 22 1HG PRO 22 -17.982 -26.433 11.369 202 HG3 PRO 22 2HG PRO 22 -16.916 -25.267 12.176 203 HD2 PRO 22 1HD PRO 22 -19.360 -24.568 11.349 204 HD3 PRO 22 2HD PRO 22 -17.995 -23.439 11.230 205 HA PRO 23 HA PRO 23 -18.735 -27.945 6.133 206 HB2 PRO 23 1HB PRO 23 -17.972 -27.307 3.663 207 HB3 PRO 23 2HB PRO 23 -19.214 -26.372 4.503 208 HG2 PRO 23 1HG PRO 23 -16.337 -25.721 4.044 209 HG3 PRO 23 2HG PRO 23 -17.749 -24.652 4.014 210 HD2 PRO 23 1HD PRO 23 -15.987 -24.962 6.157 211 HD3 PRO 23 2HD PRO 23 -17.607 -24.247 6.244 212 H VAL 24 H VAL 24 -15.383 -27.142 6.409 213 HA VAL 24 HA VAL 24 -13.474 -28.360 6.258 214 HB VAL 24 HB VAL 24 -15.186 -30.826 5.933 215 HG11 VAL 24 1HG1 VAL 24 -12.768 -30.954 7.562 216 HG12 VAL 24 2HG1 VAL 24 -12.464 -30.517 5.880 217 HG13 VAL 24 3HG1 VAL 24 -13.320 -32.009 6.261 218 HG21 VAL 24 3HG2 VAL 24 -15.268 -31.029 8.341 219 HG22 VAL 24 1HG2 VAL 24 -15.970 -29.484 7.861 220 HG23 VAL 24 2HG2 VAL 24 -14.339 -29.542 8.530 221 H GLU 25 H GLU 25 -14.408 -27.168 3.925 222 HA GLU 25 HA GLU 25 -12.976 -28.650 1.949 223 HB2 GLU 25 1HB GLU 25 -15.525 -29.499 2.093 224 HB3 GLU 25 2HB GLU 25 -15.747 -28.125 1.018 225 HG2 GLU 25 1HG GLU 25 -14.914 -29.234 -0.709 226 HG3 GLU 25 2HG GLU 25 -13.484 -29.712 0.202 227 H ASN 26 H ASN 26 -13.351 -27.500 -0.306 228 HA ASN 26 HA ASN 26 -13.035 -24.637 0.216 229 HB2 ASN 26 1HB ASN 26 -12.093 -24.580 -2.112 230 HB3 ASN 26 2HB ASN 26 -11.195 -25.590 -0.990 231 HD21 ASN 26 2HD2 ASN 26 -11.261 -27.841 -1.232 232 HD22 ASN 26 1HD2 ASN 26 -11.800 -28.584 -2.695 233 H PHE 27 H PHE 27 -15.688 -25.892 0.154 234 HA PHE 27 HA PHE 27 -16.968 -25.276 -2.304 235 HB2 PHE 27 1HB PHE 27 -17.678 -26.628 0.017 236 HB3 PHE 27 2HB PHE 27 -18.724 -25.215 0.026 237 HD1 PHE 27 HD2 PHE 27 -20.062 -24.739 -2.123 238 HD2 PHE 27 HD1 PHE 27 -18.228 -28.481 -1.256 239 HE1 PHE 27 HE2 PHE 27 -21.579 -25.848 -3.713 240 HE2 PHE 27 HE1 PHE 27 -19.742 -29.594 -2.843 241 HZ PHE 27 HZ PHE 27 -21.422 -28.279 -4.073 242 HA PRO 28 HA PRO 28 -18.631 -21.335 0.078 243 HB2 PRO 28 1HB PRO 28 -17.002 -20.538 2.157 244 HB3 PRO 28 2HB PRO 28 -18.507 -21.441 2.340 245 HG2 PRO 28 1HG PRO 28 -15.690 -22.432 2.327 246 HG3 PRO 28 2HG PRO 28 -17.048 -22.928 3.353 247 HD2 PRO 28 1HD PRO 28 -16.242 -24.414 1.279 248 HD3 PRO 28 2HD PRO 28 -17.960 -24.280 1.704 249 H VAL 29 H VAL 29 -17.635 -19.048 0.432 250 HA VAL 29 HA VAL 29 -15.401 -18.767 -1.462 251 HB VAL 29 HB VAL 29 -16.248 -16.308 -1.490 252 HG11 VAL 29 1HG1 VAL 29 -17.271 -16.757 -3.473 253 HG12 VAL 29 2HG1 VAL 29 -18.215 -18.092 -2.811 254 HG13 VAL 29 3HG1 VAL 29 -16.512 -18.326 -3.204 255 HG21 VAL 29 3HG2 VAL 29 -18.907 -17.510 -0.876 256 HG22 VAL 29 1HG2 VAL 29 -18.388 -15.826 -0.807 257 HG23 VAL 29 2HG2 VAL 29 -17.883 -16.956 0.449 258 H ARG 30 H ARG 30 -14.203 -16.583 -1.129 259 HA ARG 30 HA ARG 30 -13.483 -16.345 1.721 260 HB2 ARG 30 1HB ARG 30 -11.202 -15.681 0.882 261 HB3 ARG 30 2HB ARG 30 -11.645 -17.360 0.619 262 HG2 ARG 30 1HG ARG 30 -11.988 -17.016 -1.686 263 HG3 ARG 30 2HG ARG 30 -11.972 -15.261 -1.502 264 HD2 ARG 30 1HD ARG 30 -9.734 -15.156 -1.583 265 HD3 ARG 30 2HD ARG 30 -9.541 -16.555 -0.531 266 HE ARG 30 HE ARG 30 -9.414 -16.523 -3.379 267 HH11 ARG 30 1HH1 ARG 30 -10.314 -18.510 -0.647 268 HH12 ARG 30 2HH1 ARG 30 -10.026 -20.000 -1.477 269 HH21 ARG 30 1HH2 ARG 30 -9.038 -18.488 -4.473 270 HH22 ARG 30 2HH2 ARG 30 -9.300 -19.988 -3.651 271 H GLN 31 H GLN 31 -12.556 -14.252 2.350 272 HA GLN 31 HA GLN 31 -13.758 -12.023 0.838 273 HB2 GLN 31 1HB GLN 31 -14.149 -12.831 3.543 274 HB3 GLN 31 2HB GLN 31 -13.289 -11.298 3.560 275 HG2 GLN 31 1HG GLN 31 -15.010 -10.248 2.268 276 HG3 GLN 31 2HG GLN 31 -15.829 -11.792 2.032 277 HE21 GLN 31 2HE2 GLN 31 -17.292 -12.436 3.488 278 HE22 GLN 31 1HE2 GLN 31 -17.626 -11.628 4.978 279 H TRP 32 H TRP 32 -12.636 -9.975 0.965 280 HA TRP 32 HA TRP 32 -9.941 -9.950 1.998 281 HB2 TRP 32 1HB TRP 32 -8.876 -9.396 -0.152 282 HB3 TRP 32 2HB TRP 32 -9.556 -11.019 -0.155 283 HD1 TRP 32 HD1 TRP 32 -10.162 -7.525 -1.642 284 HE1 TRP 32 HE1 TRP 32 -11.661 -7.777 -3.720 285 HE3 TRP 32 HE3 TRP 32 -11.264 -12.497 -1.245 286 HZ2 TRP 32 HZ2 TRP 32 -13.114 -9.821 -5.021 287 HZ3 TRP 32 HZ3 TRP 32 -12.713 -13.525 -2.943 288 HH2 TRP 32 HH2 TRP 32 -13.620 -12.213 -4.793 289 H SER 33 H SER 33 -9.230 -7.961 2.488 290 HA SER 33 HA SER 33 -10.681 -5.637 1.436 291 HB2 SER 33 1HB SER 33 -11.687 -6.054 3.602 292 HB3 SER 33 2HB SER 33 -10.100 -6.200 4.354 293 HG SER 33 HG SER 33 -10.557 -4.151 4.769 294 H ILE 34 H ILE 34 -9.233 -4.347 0.486 295 HA ILE 34 HA ILE 34 -6.575 -4.083 1.726 296 HB ILE 34 HB ILE 34 -6.945 -3.937 -1.252 297 HG12 ILE 34 1HG1 ILE 34 -7.675 -6.190 -0.413 298 HG13 ILE 34 2HG1 ILE 34 -6.282 -6.236 -1.485 299 HG21 ILE 34 1HG2 ILE 34 -4.899 -3.049 -0.856 300 HG22 ILE 34 2HG2 ILE 34 -4.434 -4.748 -0.882 301 HG23 ILE 34 3HG2 ILE 34 -4.684 -3.927 0.657 302 HD11 ILE 34 3HD1 ILE 34 -6.157 -7.741 0.503 303 HD12 ILE 34 1HD1 ILE 34 -6.068 -6.298 1.510 304 HD13 ILE 34 2HD1 ILE 34 -4.802 -6.626 0.329 305 H GLU 35 H GLU 35 -5.653 -2.075 1.730 306 HA GLU 35 HA GLU 35 -6.881 0.117 0.288 307 HB2 GLU 35 1HB GLU 35 -7.200 1.484 2.327 308 HB3 GLU 35 2HB GLU 35 -8.259 0.082 2.276 309 HG2 GLU 35 1HG GLU 35 -6.653 -1.103 3.767 310 HG3 GLU 35 2HG GLU 35 -5.760 0.409 3.920 311 H ILE 36 H ILE 36 -5.508 1.845 -0.013 312 HA ILE 36 HA ILE 36 -2.818 1.642 1.179 313 HB ILE 36 HB ILE 36 -3.372 2.466 -1.676 314 HG12 ILE 36 1HG1 ILE 36 -2.067 0.236 -2.095 315 HG13 ILE 36 2HG1 ILE 36 -2.647 -0.197 -0.491 316 HG21 ILE 36 1HG2 ILE 36 -0.710 1.645 -0.600 317 HG22 ILE 36 2HG2 ILE 36 -1.310 3.277 -0.309 318 HG23 ILE 36 3HG2 ILE 36 -1.101 2.699 -1.960 319 HD11 ILE 36 3HD1 ILE 36 -3.986 -0.411 -2.958 320 HD12 ILE 36 1HD1 ILE 36 -4.830 0.813 -2.012 321 HD13 ILE 36 2HD1 ILE 36 -4.589 -0.803 -1.348 322 H VAL 37 H VAL 37 -1.998 3.513 1.961 323 HA VAL 37 HA VAL 37 -3.144 6.061 1.092 324 HB VAL 37 HB VAL 37 -2.832 5.408 4.025 325 HG11 VAL 37 1HG1 VAL 37 -3.448 7.533 4.472 326 HG12 VAL 37 2HG1 VAL 37 -4.555 7.617 3.102 327 HG13 VAL 37 3HG1 VAL 37 -2.823 7.837 2.853 328 HG21 VAL 37 3HG2 VAL 37 -4.632 4.048 3.168 329 HG22 VAL 37 1HG2 VAL 37 -5.334 5.437 2.337 330 HG23 VAL 37 2HG2 VAL 37 -5.312 5.383 4.099 331 H LEU 38 H LEU 38 -1.619 7.579 0.790 332 HA LEU 38 HA LEU 38 0.785 7.641 2.376 333 HB2 LEU 38 1HB LEU 38 2.239 7.611 0.263 334 HB3 LEU 38 2HB LEU 38 1.674 6.085 0.905 335 HG LEU 38 HG LEU 38 1.613 6.388 -1.624 336 HD11 LEU 38 1HD1 LEU 38 -1.132 5.692 -0.866 337 HD12 LEU 38 2HD1 LEU 38 0.129 4.855 0.039 338 HD13 LEU 38 3HD1 LEU 38 0.091 4.752 -1.721 339 HD21 LEU 38 3HD2 LEU 38 0.703 8.621 -1.738 340 HD22 LEU 38 1HD2 LEU 38 -0.762 8.101 -0.907 341 HD23 LEU 38 2HD2 LEU 38 -0.400 7.489 -2.517 342 H LEU 39 H LEU 39 2.355 9.396 1.353 343 HA LEU 39 HA LEU 39 0.673 11.741 0.780 344 HB2 LEU 39 1HB LEU 39 3.351 11.415 2.097 345 HB3 LEU 39 2HB LEU 39 2.851 12.967 1.463 346 HG LEU 39 HG LEU 39 2.388 12.975 3.792 347 HD11 LEU 39 1HD1 LEU 39 0.241 13.722 3.754 348 HD12 LEU 39 2HD1 LEU 39 -0.339 12.357 2.799 349 HD13 LEU 39 3HD1 LEU 39 0.556 13.663 2.021 350 HD21 LEU 39 3HD2 LEU 39 0.448 10.867 4.014 351 HD22 LEU 39 1HD2 LEU 39 1.907 11.155 4.961 352 HD23 LEU 39 2HD2 LEU 39 1.996 10.227 3.465 353 H ASP 40 H ASP 40 1.636 13.435 -0.617 354 HA ASP 40 HA ASP 40 3.682 12.629 -2.489 355 HB2 ASP 40 1HB ASP 40 0.796 12.565 -3.176 356 HB3 ASP 40 2HB ASP 40 1.850 13.339 -4.353 357 H ASP 41 H ASP 41 0.963 14.925 -2.224 358 HA ASP 41 HA ASP 41 2.550 17.102 -3.223 359 HB2 ASP 41 1HB ASP 41 -0.267 16.714 -2.371 360 HB3 ASP 41 2HB ASP 41 0.375 18.350 -2.262 361 H GLU 42 H GLU 42 2.278 15.653 -0.183 362 HA GLU 42 HA GLU 42 2.760 18.118 1.302 363 HB2 GLU 42 1HB GLU 42 2.347 15.256 2.163 364 HB3 GLU 42 2HB GLU 42 2.810 16.528 3.284 365 HG2 GLU 42 1HG GLU 42 0.382 16.826 1.561 366 HG3 GLU 42 2HG GLU 42 0.323 15.895 3.056 367 H GLY 43 H GLY 43 4.509 15.347 0.078 368 HA2 GLY 43 1HA GLY 43 6.945 16.408 1.365 369 HA3 GLY 43 2HA GLY 43 6.671 14.688 1.118 370 H LYS 44 H LYS 44 6.156 17.446 -1.043 371 HA LYS 44 HA LYS 44 7.053 18.034 -3.039 372 HB2 LYS 44 1HB LYS 44 9.215 16.791 -1.700 373 HB3 LYS 44 2HB LYS 44 9.217 16.187 -3.350 374 HG2 LYS 44 1HG LYS 44 8.804 18.874 -3.695 375 HG3 LYS 44 2HG LYS 44 9.902 18.819 -2.317 376 HD2 LYS 44 1HD LYS 44 10.533 17.078 -4.636 377 HD3 LYS 44 2HD LYS 44 10.762 18.815 -4.840 378 HE2 LYS 44 1HE LYS 44 12.469 18.909 -3.335 379 HE3 LYS 44 2HE LYS 44 11.827 17.587 -2.361 380 HZ1 LYS 44 3HZ LYS 44 12.674 16.003 -3.864 381 HZ2 LYS 44 1HZ LYS 44 13.930 17.106 -3.613 382 HZ3 LYS 44 2HZ LYS 44 13.024 17.166 -5.039 383 H GLU 45 H GLU 45 5.588 17.435 -4.497 384 HA GLU 45 HA GLU 45 5.376 14.627 -5.271 385 HB2 GLU 45 1HB GLU 45 3.411 16.326 -4.735 386 HB3 GLU 45 2HB GLU 45 3.614 16.732 -6.433 387 HG2 GLU 45 1HG GLU 45 3.412 13.861 -5.747 388 HG3 GLU 45 2HG GLU 45 1.954 14.839 -5.585 389 H ILE 46 H ILE 46 7.726 16.092 -6.086 390 HA ILE 46 HA ILE 46 7.304 16.167 -9.007 391 HB ILE 46 HB ILE 46 9.470 17.647 -7.511 392 HG12 ILE 46 1HG1 ILE 46 7.648 19.462 -8.697 393 HG13 ILE 46 2HG1 ILE 46 6.685 18.307 -7.782 394 HG21 ILE 46 1HG2 ILE 46 9.412 18.934 -9.769 395 HG22 ILE 46 2HG2 ILE 46 8.630 17.472 -10.371 396 HG23 ILE 46 3HG2 ILE 46 10.244 17.382 -9.666 397 HD11 ILE 46 3HD1 ILE 46 7.097 19.892 -6.194 398 HD12 ILE 46 1HD1 ILE 46 8.697 20.275 -6.829 399 HD13 ILE 46 2HD1 ILE 46 8.445 18.792 -5.909 400 HA PRO 47 HA PRO 47 10.089 12.606 -8.462 401 HB2 PRO 47 1HB PRO 47 9.587 11.513 -10.897 402 HB3 PRO 47 2HB PRO 47 8.514 11.300 -9.508 403 HG2 PRO 47 1HG PRO 47 8.270 13.179 -11.821 404 HG3 PRO 47 2HG PRO 47 7.015 12.212 -11.024 405 HD2 PRO 47 1HD PRO 47 7.373 14.864 -10.541 406 HD3 PRO 47 2HD PRO 47 6.745 13.734 -9.325 407 H ALA 48 H ALA 48 12.108 12.071 -9.311 408 HA ALA 48 HA ALA 48 13.114 13.576 -11.601 409 HB1 ALA 48 3HB ALA 48 14.309 13.734 -8.841 410 HB2 ALA 48 1HB ALA 48 13.694 15.057 -9.834 411 HB3 ALA 48 2HB ALA 48 15.168 14.211 -10.306 412 H THR 49 H THR 49 14.579 11.608 -8.992 413 HA THR 49 HA THR 49 16.031 10.059 -10.966 414 HB THR 49 HB THR 49 16.840 8.835 -8.838 415 HG1 THR 49 HG1 THR 49 16.477 9.877 -6.924 416 HG21 THR 49 3HG2 THR 49 18.037 11.127 -8.103 417 HG22 THR 49 1HG2 THR 49 17.499 11.552 -9.727 418 HG23 THR 49 2HG2 THR 49 18.536 10.148 -9.480 419 H ILE 50 H ILE 50 13.809 9.255 -8.282 420 HA ILE 50 HA ILE 50 12.778 7.060 -9.938 421 HB ILE 50 HB ILE 50 13.392 6.832 -6.983 422 HG12 ILE 50 1HG1 ILE 50 14.740 4.811 -8.176 423 HG13 ILE 50 2HG1 ILE 50 14.807 6.014 -9.458 424 HG21 ILE 50 1HG2 ILE 50 12.192 4.825 -8.895 425 HG22 ILE 50 2HG2 ILE 50 11.346 5.640 -7.581 426 HG23 ILE 50 3HG2 ILE 50 12.645 4.503 -7.220 427 HD11 ILE 50 3HD1 ILE 50 16.299 5.854 -6.998 428 HD12 ILE 50 1HD1 ILE 50 15.492 7.414 -7.167 429 HD13 ILE 50 2HD1 ILE 50 16.580 6.842 -8.431 430 H PHE 51 H PHE 51 11.868 7.877 -6.600 431 HA PHE 51 HA PHE 51 9.823 8.336 -5.703 432 HB2 PHE 51 1HB PHE 51 10.652 10.555 -6.452 433 HB3 PHE 51 2HB PHE 51 9.774 10.343 -7.958 434 HD1 PHE 51 HD1 PHE 51 7.297 10.375 -7.961 435 HD2 PHE 51 HD2 PHE 51 9.548 11.212 -4.444 436 HE1 PHE 51 HE1 PHE 51 5.314 11.408 -6.939 437 HE2 PHE 51 HE2 PHE 51 7.564 12.246 -3.417 438 HZ PHE 51 HZ PHE 51 5.444 12.345 -4.667 439 H ASP 52 H ASP 52 8.703 6.433 -6.102 440 HA ASP 52 HA ASP 52 6.302 6.649 -7.544 441 HB2 ASP 52 1HB ASP 52 8.009 6.275 -9.432 442 HB3 ASP 52 2HB ASP 52 8.162 4.638 -8.808 443 H LYS 53 H LYS 53 4.854 5.220 -6.726 444 HA LYS 53 HA LYS 53 5.938 2.949 -5.189 445 HB2 LYS 53 1HB LYS 53 3.326 4.256 -4.507 446 HB3 LYS 53 2HB LYS 53 4.339 3.238 -3.501 447 HG2 LYS 53 1HG LYS 53 5.635 4.960 -2.825 448 HG3 LYS 53 2HG LYS 53 5.514 5.807 -4.369 449 HD2 LYS 53 1HD LYS 53 3.614 6.906 -3.775 450 HD3 LYS 53 2HD LYS 53 3.030 5.575 -2.775 451 HE2 LYS 53 1HE LYS 53 4.104 6.315 -0.918 452 HE3 LYS 53 2HE LYS 53 5.453 6.984 -1.834 453 HZ1 LYS 53 3HZ LYS 53 2.748 8.192 -1.632 454 HZ2 LYS 53 1HZ LYS 53 4.051 8.837 -2.488 455 HZ3 LYS 53 2HZ LYS 53 4.122 8.721 -0.805 456 H VAL 54 H VAL 54 4.749 1.026 -5.179 457 HA VAL 54 HA VAL 54 2.495 0.812 -7.033 458 HB VAL 54 HB VAL 54 4.786 -1.146 -7.174 459 HG11 VAL 54 1HG1 VAL 54 2.989 -2.244 -8.061 460 HG12 VAL 54 2HG1 VAL 54 3.582 -1.418 -9.501 461 HG13 VAL 54 3HG1 VAL 54 2.210 -0.762 -8.610 462 HG21 VAL 54 3HG2 VAL 54 5.760 0.860 -7.956 463 HG22 VAL 54 1HG2 VAL 54 4.294 1.325 -8.822 464 HG23 VAL 54 2HG2 VAL 54 5.272 -0.025 -9.399 465 H ILE 55 H ILE 55 0.909 -0.113 -5.930 466 HA ILE 55 HA ILE 55 1.583 -2.004 -3.783 467 HB ILE 55 HB ILE 55 -1.140 -0.801 -4.206 468 HG12 ILE 55 1HG1 ILE 55 -0.048 0.638 -2.134 469 HG13 ILE 55 2HG1 ILE 55 1.310 0.514 -3.247 470 HG21 ILE 55 1HG2 ILE 55 -1.520 -2.321 -2.601 471 HG22 ILE 55 2HG2 ILE 55 -0.777 -1.130 -1.533 472 HG23 ILE 55 3HG2 ILE 55 0.186 -2.458 -2.181 473 HD11 ILE 55 3HD1 ILE 55 -1.420 1.576 -3.938 474 HD12 ILE 55 1HD1 ILE 55 -0.027 1.497 -5.016 475 HD13 ILE 55 2HD1 ILE 55 0.011 2.549 -3.602 476 H TYR 56 H TYR 56 0.837 -4.046 -3.751 477 HA TYR 56 HA TYR 56 -0.939 -4.927 -5.919 478 HB2 TYR 56 1HB TYR 56 1.791 -5.906 -5.238 479 HB3 TYR 56 2HB TYR 56 0.594 -7.103 -5.723 480 HD1 TYR 56 HD1 TYR 56 -0.789 -6.372 -7.902 481 HD2 TYR 56 HD2 TYR 56 3.116 -5.012 -6.898 482 HE1 TYR 56 HE1 TYR 56 -0.376 -5.836 -10.265 483 HE2 TYR 56 HE2 TYR 56 3.540 -4.472 -9.258 484 HH TYR 56 HH TYR 56 2.202 -3.932 -11.295 485 H HIS 57 H HIS 57 -2.435 -6.456 -5.375 486 HA HIS 57 HA HIS 57 -2.228 -7.913 -2.894 487 HB2 HIS 57 1HB HIS 57 -4.581 -7.046 -2.221 488 HB3 HIS 57 2HB HIS 57 -3.177 -6.054 -1.858 489 HD1 HIS 57 HD1 HIS 57 -3.244 -3.706 -2.681 490 HD2 HIS 57 HD2 HIS 57 -6.024 -6.118 -4.602 491 HE1 HIS 57 HE1 HIS 57 -4.617 -2.150 -4.096 492 HE2 HIS 57 HE2 HIS 57 -6.167 -3.659 -5.388 493 H LEU 58 H LEU 58 -2.820 -9.903 -3.383 494 HA LEU 58 HA LEU 58 -3.734 -11.676 -4.454 495 HB2 LEU 58 1HB LEU 58 -6.094 -11.854 -4.328 496 HB3 LEU 58 2HB LEU 58 -5.578 -10.900 -2.957 497 HG LEU 58 HG LEU 58 -6.379 -9.322 -5.313 498 HD11 LEU 58 1HD1 LEU 58 -8.842 -9.732 -4.364 499 HD12 LEU 58 2HD1 LEU 58 -8.171 -11.341 -4.109 500 HD13 LEU 58 3HD1 LEU 58 -8.177 -10.635 -5.724 501 HD21 LEU 58 3HD2 LEU 58 -6.956 -7.791 -3.748 502 HD22 LEU 58 1HD2 LEU 58 -5.873 -8.753 -2.741 503 HD23 LEU 58 2HD2 LEU 58 -7.616 -9.001 -2.646 504 H HIS 59 H HIS 59 -5.858 -11.904 -6.317 505 HA HIS 59 HA HIS 59 -4.441 -11.244 -8.705 506 HB2 HIS 59 1HB HIS 59 -6.253 -13.173 -8.062 507 HB3 HIS 59 2HB HIS 59 -7.269 -12.057 -8.964 508 HD1 HIS 59 HD1 HIS 59 -3.652 -12.787 -9.815 509 HD2 HIS 59 HD2 HIS 59 -7.474 -13.548 -11.262 510 HE1 HIS 59 HE1 HIS 59 -3.320 -13.841 -12.074 511 HE2 HIS 59 HE2 HIS 59 -5.642 -14.403 -12.871 512 HA PRO 60 HA PRO 60 -6.085 -7.086 -9.016 513 HB2 PRO 60 1HB PRO 60 -4.970 -7.265 -11.747 514 HB3 PRO 60 2HB PRO 60 -4.672 -6.083 -10.470 515 HG2 PRO 60 1HG PRO 60 -2.835 -7.914 -11.100 516 HG3 PRO 60 2HG PRO 60 -3.096 -7.418 -9.416 517 HD2 PRO 60 1HD PRO 60 -4.035 -9.888 -10.833 518 HD3 PRO 60 2HD PRO 60 -3.384 -9.710 -9.189 519 H THR 61 H THR 61 -7.069 -9.815 -10.784 520 HA THR 61 HA THR 61 -8.640 -8.762 -12.821 521 HB THR 61 HB THR 61 -8.160 -11.169 -12.522 522 HG1 THR 61 HG1 THR 61 -9.970 -10.493 -13.789 523 HG21 THR 61 3HG2 THR 61 -10.381 -11.351 -10.538 524 HG22 THR 61 1HG2 THR 61 -8.721 -11.092 -10.001 525 HG23 THR 61 2HG2 THR 61 -9.130 -12.528 -10.937 526 H PHE 62 H PHE 62 -9.057 -8.461 -9.430 527 HA PHE 62 HA PHE 62 -11.817 -7.513 -9.845 528 HB2 PHE 62 1HB PHE 62 -10.904 -9.523 -8.076 529 HB3 PHE 62 2HB PHE 62 -11.308 -8.126 -7.084 530 HD1 PHE 62 HD1 PHE 62 -12.618 -10.618 -9.439 531 HD2 PHE 62 HD2 PHE 62 -13.572 -7.389 -6.833 532 HE1 PHE 62 HE1 PHE 62 -15.002 -11.208 -9.585 533 HE2 PHE 62 HE2 PHE 62 -15.958 -7.977 -6.975 534 HZ PHE 62 HZ PHE 62 -16.675 -9.888 -8.353 535 H ALA 63 H ALA 63 -9.257 -7.212 -7.361 536 HA ALA 63 HA ALA 63 -10.016 -4.562 -6.662 537 HB1 ALA 63 3HB ALA 63 -8.838 -6.231 -5.181 538 HB2 ALA 63 1HB ALA 63 -8.214 -4.583 -5.144 539 HB3 ALA 63 2HB ALA 63 -7.360 -5.828 -6.054 540 H ASN 64 H ASN 64 -7.793 -5.863 -9.015 541 HA ASN 64 HA ASN 64 -6.662 -4.878 -10.724 542 HB2 ASN 64 1HB ASN 64 -8.721 -3.125 -10.309 543 HB3 ASN 64 2HB ASN 64 -7.319 -2.085 -10.077 544 HD21 ASN 64 2HD2 ASN 64 -7.614 -0.904 -11.932 545 HD22 ASN 64 1HD2 ASN 64 -7.410 -1.567 -13.514 546 HA PRO 65 HA PRO 65 -2.800 -3.737 -8.933 547 HB2 PRO 65 1HB PRO 65 -2.205 -2.158 -11.359 548 HB3 PRO 65 2HB PRO 65 -1.361 -3.561 -10.696 549 HG2 PRO 65 1HG PRO 65 -2.849 -3.750 -12.912 550 HG3 PRO 65 2HG PRO 65 -2.780 -5.067 -11.726 551 HD2 PRO 65 1HD PRO 65 -4.915 -3.013 -12.156 552 HD3 PRO 65 2HD PRO 65 -5.074 -4.745 -11.802 553 H ASN 66 H ASN 66 -1.549 -1.959 -8.136 554 HA ASN 66 HA ASN 66 -2.979 0.616 -8.154 555 HB2 ASN 66 1HB ASN 66 -2.647 -1.064 -5.966 556 HB3 ASN 66 2HB ASN 66 -1.390 0.149 -5.758 557 HD21 ASN 66 2HD2 ASN 66 -4.615 -0.581 -5.288 558 HD22 ASN 66 1HD2 ASN 66 -5.183 1.001 -4.899 559 H ARG 67 H ARG 67 -1.798 2.443 -8.385 560 HA ARG 67 HA ARG 67 1.120 2.297 -8.296 561 HB2 ARG 67 1HB ARG 67 -0.263 2.204 -10.716 562 HB3 ARG 67 2HB ARG 67 0.226 3.887 -10.561 563 HG2 ARG 67 1HG ARG 67 2.095 3.137 -11.556 564 HG3 ARG 67 2HG ARG 67 2.536 2.691 -9.907 565 HD2 ARG 67 1HD ARG 67 2.157 0.456 -10.263 566 HD3 ARG 67 2HD ARG 67 0.969 0.750 -11.532 567 HE ARG 67 HE ARG 67 3.761 0.351 -11.872 568 HH11 ARG 67 1HH1 ARG 67 1.030 2.112 -13.177 569 HH12 ARG 67 2HH1 ARG 67 1.706 2.232 -14.765 570 HH21 ARG 67 1HH2 ARG 67 4.652 0.518 -13.969 571 HH22 ARG 67 2HH2 ARG 67 3.761 1.325 -15.215 572 H THR 68 H THR 68 1.926 3.995 -7.226 573 HA THR 68 HA THR 68 0.175 6.325 -6.844 574 HB THR 68 HB THR 68 2.604 5.773 -5.178 575 HG1 THR 68 HG1 THR 68 1.418 4.457 -3.863 576 HG21 THR 68 3HG2 THR 68 1.288 7.913 -4.973 577 HG22 THR 68 1HG2 THR 68 1.511 6.984 -3.492 578 HG23 THR 68 2HG2 THR 68 -0.031 6.929 -4.341 579 H PHE 69 H PHE 69 0.611 7.806 -8.322 580 HA PHE 69 HA PHE 69 3.375 8.766 -8.557 581 HB2 PHE 69 1HB PHE 69 2.511 7.309 -10.544 582 HB3 PHE 69 2HB PHE 69 1.565 8.734 -10.957 583 HD1 PHE 69 HD2 PHE 69 2.700 10.832 -11.588 584 HD2 PHE 69 HD1 PHE 69 4.857 7.225 -10.914 585 HE1 PHE 69 HE2 PHE 69 4.645 11.780 -12.758 586 HE2 PHE 69 HE1 PHE 69 6.805 8.167 -12.084 587 HZ PHE 69 HZ PHE 69 6.701 10.448 -13.008 588 H THR 70 H THR 70 0.015 9.496 -9.516 589 HA THR 70 HA THR 70 0.229 12.124 -8.265 590 HB THR 70 HB THR 70 -0.930 13.049 -10.421 591 HG1 THR 70 HG1 THR 70 -1.063 11.007 -11.464 592 HG21 THR 70 3HG2 THR 70 1.140 13.723 -11.390 593 HG22 THR 70 1HG2 THR 70 2.001 12.409 -10.595 594 HG23 THR 70 2HG2 THR 70 1.323 13.722 -9.638 595 H ASP 71 H ASP 71 -1.246 9.708 -7.600 596 HA ASP 71 HA ASP 71 -3.993 10.743 -7.861 597 HB2 ASP 71 1HB ASP 71 -2.962 7.955 -8.228 598 HB3 ASP 71 2HB ASP 71 -4.598 8.199 -7.624 599 HA PRO 72 HA PRO 72 -4.315 10.422 -3.461 600 HB2 PRO 72 1HB PRO 72 -6.941 9.950 -3.103 601 HB3 PRO 72 2HB PRO 72 -6.351 11.485 -3.753 602 HG2 PRO 72 1HG PRO 72 -7.494 9.128 -5.205 603 HG3 PRO 72 2HG PRO 72 -7.816 10.856 -5.447 604 HD2 PRO 72 1HD PRO 72 -6.104 9.417 -7.009 605 HD3 PRO 72 2HD PRO 72 -5.935 11.157 -6.719 606 HA PRO 73 HA PRO 73 -4.176 6.372 -1.683 607 HB2 PRO 73 1HB PRO 73 -6.521 6.972 0.045 608 HB3 PRO 73 2HB PRO 73 -4.899 6.442 0.495 609 HG2 PRO 73 1HG PRO 73 -5.654 8.959 0.885 610 HG3 PRO 73 2HG PRO 73 -4.012 8.581 0.332 611 HD2 PRO 73 1HD PRO 73 -6.349 9.610 -1.224 612 HD3 PRO 73 2HD PRO 73 -4.632 10.043 -1.352 613 H PHE 74 H PHE 74 -5.544 4.374 -1.110 614 HA PHE 74 HA PHE 74 -7.962 4.172 -2.755 615 HB2 PHE 74 1HB PHE 74 -5.421 3.047 -3.423 616 HB3 PHE 74 2HB PHE 74 -6.504 1.729 -2.991 617 HD1 PHE 74 HD1 PHE 74 -6.669 4.899 -4.966 618 HD2 PHE 74 HD2 PHE 74 -7.622 0.758 -4.729 619 HE1 PHE 74 HE1 PHE 74 -7.679 5.005 -7.206 620 HE2 PHE 74 HE2 PHE 74 -8.635 0.859 -6.966 621 HZ PHE 74 HZ PHE 74 -8.665 2.984 -8.209 622 H ARG 75 H ARG 75 -9.237 2.212 -2.228 623 HA ARG 75 HA ARG 75 -8.677 0.559 -0.048 624 HB2 ARG 75 1HB ARG 75 -10.206 1.544 1.630 625 HB3 ARG 75 2HB ARG 75 -8.812 2.545 1.306 626 HG2 ARG 75 1HG ARG 75 -11.113 3.207 -0.360 627 HG3 ARG 75 2HG ARG 75 -11.413 3.396 1.368 628 HD2 ARG 75 1HD ARG 75 -9.357 4.765 1.529 629 HD3 ARG 75 2HD ARG 75 -9.165 4.632 -0.217 630 HE ARG 75 HE ARG 75 -11.704 5.706 0.647 631 HH11 ARG 75 1HH1 ARG 75 -8.416 6.442 -0.308 632 HH12 ARG 75 2HH1 ARG 75 -8.778 8.074 -0.756 633 HH21 ARG 75 1HH2 ARG 75 -12.174 7.865 0.057 634 HH22 ARG 75 2HH2 ARG 75 -10.909 8.882 -0.547 635 H ILE 76 H ILE 76 -9.644 -1.136 -0.994 636 HA ILE 76 HA ILE 76 -12.548 -1.015 -1.394 637 HB ILE 76 HB ILE 76 -10.711 -2.318 -3.406 638 HG12 ILE 76 1HG1 ILE 76 -11.958 -0.319 -4.777 639 HG13 ILE 76 2HG1 ILE 76 -11.719 0.450 -3.211 640 HG21 ILE 76 1HG2 ILE 76 -13.265 -2.949 -2.890 641 HG22 ILE 76 2HG2 ILE 76 -12.544 -3.056 -4.493 642 HG23 ILE 76 3HG2 ILE 76 -13.509 -1.648 -4.053 643 HD11 ILE 76 3HD1 ILE 76 -9.893 0.300 -5.260 644 HD12 ILE 76 1HD1 ILE 76 -9.346 -0.936 -4.127 645 HD13 ILE 76 2HD1 ILE 76 -9.551 0.729 -3.584 646 H GLU 77 H GLU 77 -13.597 -2.766 -0.623 647 HA GLU 77 HA GLU 77 -12.073 -5.231 -0.140 648 HB2 GLU 77 1HB GLU 77 -13.330 -5.469 2.038 649 HB3 GLU 77 2HB GLU 77 -12.099 -4.216 2.006 650 HG2 GLU 77 1HG GLU 77 -13.577 -2.593 2.391 651 HG3 GLU 77 2HG GLU 77 -14.739 -3.249 1.240 652 H GLU 78 H GLU 78 -13.048 -6.943 -1.026 653 HA GLU 78 HA GLU 78 -15.981 -6.997 -1.184 654 HB2 GLU 78 1HB GLU 78 -14.228 -7.816 -3.500 655 HB3 GLU 78 2HB GLU 78 -15.979 -7.663 -3.478 656 HG2 GLU 78 1HG GLU 78 -15.184 -5.151 -2.774 657 HG3 GLU 78 2HG GLU 78 -13.916 -5.639 -3.895 658 H GLN 79 H GLN 79 -16.794 -9.202 -1.841 659 HA GLN 79 HA GLN 79 -15.133 -11.292 -0.590 660 HB2 GLN 79 1HB GLN 79 -18.122 -11.466 -0.853 661 HB3 GLN 79 2HB GLN 79 -17.065 -12.319 0.262 662 HG2 GLN 79 1HG GLN 79 -17.609 -10.823 1.795 663 HG3 GLN 79 2HG GLN 79 -16.709 -9.626 0.865 664 HE21 GLN 79 2HE2 GLN 79 -17.783 -7.963 0.010 665 HE22 GLN 79 1HE2 GLN 79 -19.503 -7.804 -0.031 666 H GLY 80 H GLY 80 -15.890 -13.578 -1.348 667 HA2 GLY 80 1HA GLY 80 -16.888 -14.765 -3.287 668 HA3 GLY 80 2HA GLY 80 -16.191 -13.505 -4.292 669 H TRP 81 H TRP 81 -14.608 -14.376 -5.467 670 HA TRP 81 HA TRP 81 -12.697 -16.168 -4.111 671 HB2 TRP 81 1HB TRP 81 -14.139 -16.460 -6.613 672 HB3 TRP 81 2HB TRP 81 -12.401 -16.556 -6.865 673 HD1 TRP 81 HD1 TRP 81 -14.469 -17.980 -3.910 674 HE1 TRP 81 HE1 TRP 81 -14.012 -20.507 -3.762 675 HE3 TRP 81 HE3 TRP 81 -11.444 -18.502 -8.003 676 HZ2 TRP 81 HZ2 TRP 81 -12.561 -22.463 -5.187 677 HZ3 TRP 81 HZ3 TRP 81 -10.564 -20.736 -8.538 678 HH2 TRP 81 HH2 TRP 81 -11.111 -22.674 -7.159 679 H GLY 82 H GLY 82 -10.911 -15.071 -3.656 680 HA2 GLY 82 1HA GLY 82 -9.342 -13.869 -5.717 681 HA3 GLY 82 2HA GLY 82 -10.069 -12.656 -4.674 682 H GLY 83 H GLY 83 -7.788 -15.302 -4.863 683 HA2 GLY 83 1HA GLY 83 -6.526 -14.307 -2.388 684 HA3 GLY 83 2HA GLY 83 -6.809 -16.026 -2.609 685 H PHE 84 H PHE 84 -4.711 -13.413 -3.224 686 HA PHE 84 HA PHE 84 -2.778 -15.205 -4.448 687 HB2 PHE 84 1HB PHE 84 -4.339 -13.532 -6.063 688 HB3 PHE 84 2HB PHE 84 -2.799 -12.699 -5.917 689 HD1 PHE 84 HD2 PHE 84 -3.407 -16.371 -6.027 690 HD2 PHE 84 HD1 PHE 84 -1.882 -12.939 -8.031 691 HE1 PHE 84 HE2 PHE 84 -2.453 -17.817 -7.773 692 HE2 PHE 84 HE1 PHE 84 -0.930 -14.379 -9.780 693 HZ PHE 84 HZ PHE 84 -1.212 -16.821 -9.654 694 HA PRO 85 HA PRO 85 0.340 -12.995 -2.261 695 HB2 PRO 85 1HB PRO 85 1.684 -12.255 -4.809 696 HB3 PRO 85 2HB PRO 85 2.322 -13.100 -3.397 697 HG2 PRO 85 1HG PRO 85 1.758 -14.440 -5.619 698 HG3 PRO 85 2HG PRO 85 1.389 -15.135 -4.028 699 HD2 PRO 85 1HD PRO 85 -0.447 -13.844 -6.008 700 HD3 PRO 85 2HD PRO 85 -0.714 -15.273 -4.990 701 H LEU 86 H LEU 86 1.576 -10.912 -2.082 702 HA LEU 86 HA LEU 86 0.243 -8.614 -3.311 703 HB2 LEU 86 1HB LEU 86 0.742 -8.823 -0.344 704 HB3 LEU 86 2HB LEU 86 -0.042 -7.505 -1.189 705 HG LEU 86 HG LEU 86 -1.663 -9.577 -1.873 706 HD11 LEU 86 1HD1 LEU 86 -2.069 -10.620 0.480 707 HD12 LEU 86 2HD1 LEU 86 -0.368 -10.232 0.730 708 HD13 LEU 86 3HD1 LEU 86 -0.844 -11.298 -0.591 709 HD21 LEU 86 3HD2 LEU 86 -2.049 -7.247 -0.775 710 HD22 LEU 86 1HD2 LEU 86 -2.116 -8.178 0.722 711 HD23 LEU 86 2HD2 LEU 86 -3.253 -8.522 -0.583 712 H ASP 87 H ASP 87 1.471 -6.589 -3.006 713 HA ASP 87 HA ASP 87 4.183 -6.765 -2.048 714 HB2 ASP 87 1HB ASP 87 4.178 -7.765 -4.399 715 HB3 ASP 87 2HB ASP 87 3.820 -6.141 -4.976 716 H ILE 88 H ILE 88 4.417 -4.909 -0.981 717 HA ILE 88 HA ILE 88 3.211 -2.472 -2.125 718 HB ILE 88 HB ILE 88 3.394 -1.583 0.271 719 HG12 ILE 88 1HG1 ILE 88 3.223 -4.453 1.108 720 HG13 ILE 88 2HG1 ILE 88 4.807 -3.725 0.873 721 HG21 ILE 88 1HG2 ILE 88 1.280 -2.936 0.919 722 HG22 ILE 88 2HG2 ILE 88 1.448 -3.635 -0.691 723 HG23 ILE 88 3HG2 ILE 88 1.242 -1.893 -0.501 724 HD11 ILE 88 3HD1 ILE 88 4.664 -3.042 2.972 725 HD12 ILE 88 1HD1 ILE 88 2.953 -3.453 3.065 726 HD13 ILE 88 2HD1 ILE 88 3.450 -1.885 2.425 727 H SER 89 H SER 89 4.765 -1.427 -3.204 728 HA SER 89 HA SER 89 7.392 -1.096 -1.912 729 HB2 SER 89 1HB SER 89 8.264 -0.648 -4.197 730 HB3 SER 89 2HB SER 89 7.566 -2.259 -4.042 731 HG SER 89 HG SER 89 6.981 -0.733 -5.917 732 H VAL 90 H VAL 90 8.179 0.917 -1.537 733 HA VAL 90 HA VAL 90 6.633 3.210 -2.541 734 HB VAL 90 HB VAL 90 7.760 3.138 0.251 735 HG11 VAL 90 1HG1 VAL 90 6.513 5.086 0.621 736 HG12 VAL 90 2HG1 VAL 90 5.525 4.831 -0.817 737 HG13 VAL 90 3HG1 VAL 90 7.216 5.308 -0.980 738 HG21 VAL 90 3HG2 VAL 90 5.257 1.970 -0.782 739 HG22 VAL 90 1HG2 VAL 90 5.098 2.971 0.659 740 HG23 VAL 90 2HG2 VAL 90 6.178 1.579 0.669 741 H PHE 91 H PHE 91 7.895 4.527 -3.661 742 HA PHE 91 HA PHE 91 10.706 4.845 -2.851 743 HB2 PHE 91 1HB PHE 91 9.681 4.869 -5.697 744 HB3 PHE 91 2HB PHE 91 11.354 5.021 -5.189 745 HD1 PHE 91 HD1 PHE 91 11.500 2.894 -3.131 746 HD2 PHE 91 HD2 PHE 91 9.658 2.923 -6.968 747 HE1 PHE 91 HE1 PHE 91 11.753 0.454 -3.268 748 HE2 PHE 91 HE2 PHE 91 9.908 0.481 -7.108 749 HZ PHE 91 HZ PHE 91 10.955 -0.757 -5.257 750 H LEU 92 H LEU 92 11.668 6.906 -3.368 751 HA LEU 92 HA LEU 92 9.908 9.079 -4.125 752 HB2 LEU 92 1HB LEU 92 10.821 10.353 -2.021 753 HB3 LEU 92 2HB LEU 92 9.391 9.349 -1.914 754 HG LEU 92 HG LEU 92 12.090 8.240 -1.216 755 HD11 LEU 92 1HD1 LEU 92 10.355 9.285 0.944 756 HD12 LEU 92 2HD1 LEU 92 11.293 10.459 0.024 757 HD13 LEU 92 3HD1 LEU 92 12.110 9.144 0.864 758 HD21 LEU 92 3HD2 LEU 92 10.277 7.122 0.448 759 HD22 LEU 92 1HD2 LEU 92 10.728 6.449 -1.117 760 HD23 LEU 92 2HD2 LEU 92 9.272 7.430 -0.966 761 H LEU 93 H LEU 93 11.441 11.244 -3.532 762 HA LEU 93 HA LEU 93 13.578 10.982 -5.427 763 HB2 LEU 93 1HB LEU 93 12.772 13.320 -3.697 764 HB3 LEU 93 2HB LEU 93 13.933 13.387 -5.009 765 HG LEU 93 HG LEU 93 11.260 12.353 -5.730 766 HD11 LEU 93 1HD1 LEU 93 11.427 15.300 -5.578 767 HD12 LEU 93 2HD1 LEU 93 11.135 14.440 -4.065 768 HD13 LEU 93 3HD1 LEU 93 10.034 14.229 -5.426 769 HD21 LEU 93 3HD2 LEU 93 11.663 13.697 -7.712 770 HD22 LEU 93 1HD2 LEU 93 13.059 12.680 -7.362 771 HD23 LEU 93 2HD2 LEU 93 13.098 14.399 -6.968 772 H GLU 94 H GLU 94 15.727 10.912 -5.109 773 HA GLU 94 HA GLU 94 17.748 10.718 -4.102 774 HB2 GLU 94 1HB GLU 94 16.729 12.885 -2.937 775 HB3 GLU 94 2HB GLU 94 16.802 11.847 -1.519 776 HG2 GLU 94 1HG GLU 94 19.057 11.889 -1.431 777 HG3 GLU 94 2HG GLU 94 19.233 11.950 -3.184 778 H LYS 95 H LYS 95 15.253 8.867 -3.411 779 HA LYS 95 HA LYS 95 14.853 6.982 -2.203 780 HB2 LYS 95 1HB LYS 95 17.871 6.872 -2.214 781 HB3 LYS 95 2HB LYS 95 16.803 5.518 -1.870 782 HG2 LYS 95 1HG LYS 95 16.466 6.962 -4.447 783 HG3 LYS 95 2HG LYS 95 17.847 5.879 -4.259 784 HD2 LYS 95 1HD LYS 95 16.401 4.296 -4.935 785 HD3 LYS 95 2HD LYS 95 15.846 4.348 -3.261 786 HE2 LYS 95 1HE LYS 95 14.334 6.303 -4.203 787 HE3 LYS 95 2HE LYS 95 14.585 5.443 -5.721 788 HZ1 LYS 95 3HZ LYS 95 13.078 3.964 -5.115 789 HZ2 LYS 95 1HZ LYS 95 12.787 4.828 -3.691 790 HZ3 LYS 95 2HZ LYS 95 13.933 3.590 -3.710 791 H ALA 96 H ALA 96 14.048 8.381 -0.456 792 HA ALA 96 HA ALA 96 15.782 8.372 1.925 793 HB1 ALA 96 3HB ALA 96 13.782 10.250 0.896 794 HB2 ALA 96 1HB ALA 96 15.172 10.529 1.944 795 HB3 ALA 96 2HB ALA 96 13.662 9.925 2.626 796 H GLY 97 H GLY 97 12.743 7.204 0.643 797 HA2 GLY 97 1HA GLY 97 12.310 5.740 3.171 798 HA3 GLY 97 2HA GLY 97 10.982 6.522 2.334 799 H GLU 98 H GLU 98 13.617 4.814 0.746 800 HA GLU 98 HA GLU 98 11.876 3.269 -0.850 801 HB2 GLU 98 1HB GLU 98 14.139 3.841 -1.566 802 HB3 GLU 98 2HB GLU 98 14.819 2.905 -0.242 803 HG2 GLU 98 1HG GLU 98 14.067 0.859 -1.199 804 HG3 GLU 98 2HG GLU 98 13.131 1.713 -2.424 805 H ARG 99 H ARG 99 10.478 1.956 0.249 806 HA ARG 99 HA ARG 99 11.677 -0.304 1.664 807 HB2 ARG 99 1HB ARG 99 10.636 1.730 3.118 808 HB3 ARG 99 2HB ARG 99 9.200 0.742 2.891 809 HG2 ARG 99 1HG ARG 99 10.053 -0.062 4.872 810 HG3 ARG 99 2HG ARG 99 10.697 -1.204 3.693 811 HD2 ARG 99 1HD ARG 99 12.782 0.207 3.628 812 HD3 ARG 99 2HD ARG 99 12.132 1.100 5.002 813 HE ARG 99 HE ARG 99 12.686 -0.654 6.361 814 HH11 ARG 99 1HH1 ARG 99 12.783 -1.741 3.034 815 HH12 ARG 99 2HH1 ARG 99 13.469 -3.279 3.424 816 HH21 ARG 99 1HH2 ARG 99 13.589 -2.693 6.872 817 HH22 ARG 99 2HH2 ARG 99 13.926 -3.822 5.604 818 H LYS 100 H LYS 100 10.870 -2.171 0.969 819 HA LYS 100 HA LYS 100 8.136 -2.231 -0.106 820 HB2 LYS 100 1HB LYS 100 8.902 -3.790 -1.873 821 HB3 LYS 100 2HB LYS 100 9.608 -2.188 -2.024 822 HG2 LYS 100 1HG LYS 100 11.692 -2.950 -1.757 823 HG3 LYS 100 2HG LYS 100 11.227 -4.042 -0.451 824 HD2 LYS 100 1HD LYS 100 10.124 -5.418 -2.372 825 HD3 LYS 100 2HD LYS 100 11.225 -4.504 -3.404 826 HE2 LYS 100 1HE LYS 100 12.420 -6.441 -2.893 827 HE3 LYS 100 2HE LYS 100 13.058 -5.243 -1.768 828 HZ1 LYS 100 3HZ LYS 100 10.795 -6.840 -0.846 829 HZ2 LYS 100 1HZ LYS 100 12.152 -6.290 0.004 830 HZ3 LYS 100 2HZ LYS 100 12.275 -7.644 -1.003 831 H ILE 101 H ILE 101 6.905 -3.897 0.592 832 HA ILE 101 HA ILE 101 8.230 -6.201 1.844 833 HB ILE 101 HB ILE 101 5.875 -4.805 3.111 834 HG12 ILE 101 1HG1 ILE 101 7.891 -4.469 4.895 835 HG13 ILE 101 2HG1 ILE 101 8.788 -4.344 3.386 836 HG21 ILE 101 1HG2 ILE 101 5.907 -6.394 4.730 837 HG22 ILE 101 2HG2 ILE 101 7.645 -6.657 4.597 838 HG23 ILE 101 3HG2 ILE 101 6.553 -7.361 3.406 839 HD11 ILE 101 3HD1 ILE 101 7.378 -2.529 2.657 840 HD12 ILE 101 1HD1 ILE 101 8.047 -2.168 4.247 841 HD13 ILE 101 2HD1 ILE 101 6.371 -2.698 4.095 842 HA PRO 102 HA PRO 102 4.982 -8.107 -0.615 843 HB2 PRO 102 1HB PRO 102 6.076 -10.532 -0.800 844 HB3 PRO 102 2HB PRO 102 6.772 -9.150 -1.653 845 HG2 PRO 102 1HG PRO 102 7.690 -10.493 0.845 846 HG3 PRO 102 2HG PRO 102 8.646 -9.785 -0.466 847 HD2 PRO 102 1HD PRO 102 8.044 -8.565 1.986 848 HD3 PRO 102 2HD PRO 102 8.674 -7.751 0.542 849 H HIS 103 H HIS 103 3.248 -9.494 -0.223 850 HA HIS 103 HA HIS 103 3.204 -10.977 2.305 851 HB2 HIS 103 1HB HIS 103 1.054 -9.021 1.454 852 HB3 HIS 103 2HB HIS 103 0.978 -10.076 2.860 853 HD1 HIS 103 HD1 HIS 103 3.047 -7.175 1.540 854 HD2 HIS 103 HD2 HIS 103 2.024 -9.005 5.129 855 HE1 HIS 103 HE1 HIS 103 3.967 -5.682 3.342 856 HE2 HIS 103 HE2 HIS 103 3.367 -6.827 5.506 857 H ASP 104 H ASP 104 1.066 -12.295 2.438 858 HA ASP 104 HA ASP 104 0.390 -13.326 -0.244 859 HB2 ASP 104 1HB ASP 104 0.759 -14.947 2.286 860 HB3 ASP 104 2HB ASP 104 0.264 -15.585 0.720 861 H LEU 105 H LEU 105 -1.751 -13.965 -0.595 862 HA LEU 105 HA LEU 105 -3.631 -13.419 1.607 863 HB2 LEU 105 1HB LEU 105 -3.420 -11.675 -0.345 864 HB3 LEU 105 2HB LEU 105 -4.400 -12.836 -1.221 865 HG LEU 105 HG LEU 105 -5.915 -12.662 0.952 866 HD11 LEU 105 1HD1 LEU 105 -4.048 -10.922 1.732 867 HD12 LEU 105 2HD1 LEU 105 -5.742 -10.793 2.203 868 HD13 LEU 105 3HD1 LEU 105 -5.122 -9.820 0.869 869 HD21 LEU 105 3HD2 LEU 105 -6.352 -12.053 -1.519 870 HD22 LEU 105 1HD2 LEU 105 -6.059 -10.393 -0.996 871 HD23 LEU 105 2HD2 LEU 105 -7.365 -11.330 -0.271 872 H ASN 106 H ASN 106 -3.836 -15.637 2.053 873 HA ASN 106 HA ASN 106 -5.857 -16.959 0.556 874 HB2 ASN 106 1HB ASN 106 -3.484 -17.359 -0.632 875 HB3 ASN 106 2HB ASN 106 -3.408 -18.647 0.566 876 HD21 ASN 106 2HD2 ASN 106 -6.042 -17.284 -1.391 877 HD22 ASN 106 1HD2 ASN 106 -6.529 -18.787 -2.086 878 H PHE 107 H PHE 107 -5.549 -16.180 3.247 879 HA PHE 107 HA PHE 107 -5.846 -18.787 4.532 880 HB2 PHE 107 1HB PHE 107 -4.130 -16.560 5.654 881 HB3 PHE 107 2HB PHE 107 -4.547 -18.046 6.499 882 HD1 PHE 107 HD2 PHE 107 -3.966 -20.252 5.107 883 HD2 PHE 107 HD1 PHE 107 -2.091 -16.460 4.627 884 HE1 PHE 107 HE2 PHE 107 -1.998 -21.353 4.123 885 HE2 PHE 107 HE1 PHE 107 -0.120 -17.556 3.641 886 HZ PHE 107 HZ PHE 107 -0.073 -20.005 3.390 887 H LEU 108 H LEU 108 -7.679 -18.881 5.647 888 HA LEU 108 HA LEU 108 -9.483 -16.773 5.868 889 HB2 LEU 108 1HB LEU 108 -10.599 -18.243 7.621 890 HB3 LEU 108 2HB LEU 108 -10.398 -18.920 6.017 891 HG LEU 108 HG LEU 108 -8.118 -19.627 7.601 892 HD11 LEU 108 1HD1 LEU 108 -10.770 -19.892 8.936 893 HD12 LEU 108 2HD1 LEU 108 -9.191 -19.519 9.625 894 HD13 LEU 108 3HD1 LEU 108 -9.569 -21.169 9.132 895 HD21 LEU 108 3HD2 LEU 108 -9.269 -21.945 7.189 896 HD22 LEU 108 1HD2 LEU 108 -8.572 -21.037 5.849 897 HD23 LEU 108 2HD2 LEU 108 -10.314 -21.002 6.125 898 H GLN 109 H GLN 109 -9.738 -15.150 7.252 899 HA GLN 109 HA GLN 109 -9.515 -13.769 9.037 900 HB2 GLN 109 1HB GLN 109 -9.150 -16.391 10.194 901 HB3 GLN 109 2HB GLN 109 -8.121 -15.217 11.002 902 HG2 GLN 109 1HG GLN 109 -10.217 -15.362 12.153 903 HG3 GLN 109 2HG GLN 109 -10.090 -13.786 11.373 904 HE21 GLN 109 2HE2 GLN 109 -11.295 -17.059 10.678 905 HE22 GLN 109 1HE2 GLN 109 -12.741 -16.539 9.888 906 H GLU 110 H GLU 110 -7.950 -12.908 7.402 907 HA GLU 110 HA GLU 110 -5.166 -13.086 8.301 908 HB2 GLU 110 1HB GLU 110 -5.584 -13.506 5.895 909 HB3 GLU 110 2HB GLU 110 -6.277 -11.900 5.753 910 HG2 GLU 110 1HG GLU 110 -4.222 -11.307 5.106 911 HG3 GLU 110 2HG GLU 110 -3.871 -11.299 6.830 912 H SER 111 H SER 111 -4.126 -11.383 9.119 913 HA SER 111 HA SER 111 -5.333 -8.726 8.994 914 HB2 SER 111 1HB SER 111 -4.977 -8.416 11.439 915 HB3 SER 111 2HB SER 111 -6.172 -9.663 11.081 916 HG SER 111 HG SER 111 -4.241 -9.999 12.662 917 H TYR 112 H TYR 112 -3.463 -8.855 7.414 918 HA TYR 112 HA TYR 112 -0.919 -8.281 8.773 919 HB2 TYR 112 1HB TYR 112 -1.585 -9.818 6.362 920 HB3 TYR 112 2HB TYR 112 -0.260 -8.679 6.137 921 HD1 TYR 112 HD1 TYR 112 -1.394 -11.631 8.032 922 HD2 TYR 112 HD2 TYR 112 1.862 -9.030 7.177 923 HE1 TYR 112 HE1 TYR 112 0.148 -13.215 9.111 924 HE2 TYR 112 HE2 TYR 112 3.412 -10.604 8.250 925 HH TYR 112 HH TYR 112 2.620 -12.868 10.297 926 H GLU 113 H GLU 113 -0.352 -6.248 8.794 927 HA GLU 113 HA GLU 113 -0.747 -4.565 6.471 928 HB2 GLU 113 1HB GLU 113 -2.081 -2.924 7.509 929 HB3 GLU 113 2HB GLU 113 -2.843 -4.454 7.883 930 HG2 GLU 113 1HG GLU 113 -0.950 -3.132 9.792 931 HG3 GLU 113 2HG GLU 113 -2.666 -2.738 9.751 932 H VAL 114 H VAL 114 0.797 -3.022 6.261 933 HA VAL 114 HA VAL 114 2.706 -2.738 8.494 934 HB VAL 114 HB VAL 114 3.345 -2.423 5.559 935 HG11 VAL 114 1HG1 VAL 114 5.020 -2.452 8.058 936 HG12 VAL 114 2HG1 VAL 114 4.891 -1.181 6.840 937 HG13 VAL 114 3HG1 VAL 114 5.701 -2.699 6.450 938 HG21 VAL 114 3HG2 VAL 114 3.870 -4.600 5.367 939 HG22 VAL 114 1HG2 VAL 114 2.737 -4.799 6.704 940 HG23 VAL 114 2HG2 VAL 114 4.468 -4.710 7.022 941 H GLU 115 H GLU 115 3.593 -0.731 8.943 942 HA GLU 115 HA GLU 115 2.489 1.583 7.511 943 HB2 GLU 115 1HB GLU 115 2.666 1.293 10.515 944 HB3 GLU 115 2HB GLU 115 2.194 2.757 9.662 945 HG2 GLU 115 1HG GLU 115 0.114 2.016 9.985 946 HG3 GLU 115 2HG GLU 115 0.457 0.960 8.615 947 H HIS 116 H HIS 116 4.219 2.483 6.584 948 HA HIS 116 HA HIS 116 6.676 2.782 8.192 949 HB2 HIS 116 1HB HIS 116 6.373 1.609 5.681 950 HB3 HIS 116 2HB HIS 116 7.054 3.195 5.340 951 HD1 HIS 116 HD1 HIS 116 9.477 3.614 6.014 952 HD2 HIS 116 HD2 HIS 116 8.053 -0.100 7.220 953 HE1 HIS 116 HE1 HIS 116 11.501 2.336 6.784 954 HE2 HIS 116 HE2 HIS 116 10.598 0.135 7.617 955 H VAL 117 H VAL 117 7.795 4.761 8.133 956 HA VAL 117 HA VAL 117 6.262 7.034 7.033 957 HB VAL 117 HB VAL 117 6.040 6.928 9.483 958 HG11 VAL 117 1HG1 VAL 117 8.125 7.522 10.822 959 HG12 VAL 117 2HG1 VAL 117 9.042 7.028 9.399 960 HG13 VAL 117 3HG1 VAL 117 8.000 5.868 10.221 961 HG21 VAL 117 3HG2 VAL 117 7.719 9.238 8.500 962 HG22 VAL 117 1HG2 VAL 117 6.742 9.234 9.968 963 HG23 VAL 117 2HG2 VAL 117 5.963 9.101 8.393 964 H ILE 118 H ILE 118 7.429 8.812 6.270 965 HA ILE 118 HA ILE 118 10.345 8.503 6.032 966 HB ILE 118 HB ILE 118 8.645 9.462 3.737 967 HG12 ILE 118 1HG1 ILE 118 9.852 6.704 3.920 968 HG13 ILE 118 2HG1 ILE 118 8.198 7.031 4.424 969 HG21 ILE 118 1HG2 ILE 118 10.987 8.410 2.753 970 HG22 ILE 118 2HG2 ILE 118 11.495 9.184 4.253 971 HG23 ILE 118 3HG2 ILE 118 10.649 10.118 3.019 972 HD11 ILE 118 3HD1 ILE 118 8.934 6.272 1.936 973 HD12 ILE 118 1HD1 ILE 118 8.871 8.024 1.756 974 HD13 ILE 118 2HD1 ILE 118 7.452 7.145 2.323 975 H GLN 119 H GLN 119 11.162 10.221 7.087 976 HA GLN 119 HA GLN 119 10.017 12.870 6.501 977 HB2 GLN 119 1HB GLN 119 9.316 12.119 8.752 978 HB3 GLN 119 2HB GLN 119 11.004 11.938 9.203 979 HG2 GLN 119 1HG GLN 119 11.382 14.258 9.135 980 HG3 GLN 119 2HG GLN 119 9.871 14.557 8.279 981 HE21 GLN 119 2HE2 GLN 119 7.900 14.361 9.427 982 HE22 GLN 119 1HE2 GLN 119 7.855 14.515 11.146 983 H ILE 120 H ILE 120 11.548 13.764 5.226 984 HA ILE 120 HA ILE 120 14.255 13.988 6.341 985 HB ILE 120 HB ILE 120 13.749 13.392 3.424 986 HG12 ILE 120 1HG1 ILE 120 13.280 11.453 4.940 987 HG13 ILE 120 2HG1 ILE 120 14.608 11.177 3.819 988 HG21 ILE 120 1HG2 ILE 120 16.375 12.857 3.909 989 HG22 ILE 120 2HG2 ILE 120 16.092 14.239 4.967 990 HG23 ILE 120 3HG2 ILE 120 15.759 14.369 3.241 991 HD11 ILE 120 3HD1 ILE 120 15.237 12.197 6.536 992 HD12 ILE 120 1HD1 ILE 120 16.178 11.156 5.470 993 HD13 ILE 120 2HD1 ILE 120 14.791 10.503 6.341 994 HA PRO 121 HA PRO 121 12.478 18.013 4.627 995 HB2 PRO 121 1HB PRO 121 12.181 19.355 6.953 996 HB3 PRO 121 2HB PRO 121 10.918 18.306 6.296 997 HG2 PRO 121 1HG PRO 121 12.906 17.753 8.458 998 HG3 PRO 121 2HG PRO 121 11.186 17.330 8.381 999 HD2 PRO 121 1HD PRO 121 13.200 15.566 7.831 1000 HD3 PRO 121 2HD PRO 121 11.577 15.456 7.123 1001 H LEU 122 H LEU 122 14.787 17.412 7.254 1002 HA LEU 122 HA LEU 122 16.645 19.291 5.981 1003 HB2 LEU 122 1HB LEU 122 15.831 19.255 8.881 1004 HB3 LEU 122 2HB LEU 122 17.340 19.970 8.348 1005 HG LEU 122 HG LEU 122 14.751 20.868 7.130 1006 HD11 LEU 122 1HD1 LEU 122 15.896 22.202 9.555 1007 HD12 LEU 122 2HD1 LEU 122 14.712 20.901 9.707 1008 HD13 LEU 122 3HD1 LEU 122 14.295 22.376 8.836 1009 HD21 LEU 122 3HD2 LEU 122 16.988 21.531 6.203 1010 HD22 LEU 122 1HD2 LEU 122 17.285 22.385 7.718 1011 HD23 LEU 122 2HD2 LEU 122 15.947 22.873 6.678 1012 H ASN 123 H ASN 123 16.593 16.481 5.777 1013 HA ASN 123 HA ASN 123 18.989 15.728 7.319 1014 HB2 ASN 123 1HB ASN 123 16.456 14.341 6.919 1015 HB3 ASN 123 2HB ASN 123 17.828 13.350 6.437 1016 HD21 ASN 123 2HD2 ASN 123 15.940 13.154 8.729 1017 HD22 ASN 123 1HD2 ASN 123 16.944 13.098 10.133 Start of MODEL 12 1 H1 MET 1 1H MET 1 8.782 30.415 2.806 2 H2 MET 1 2H MET 1 8.928 29.387 4.175 3 H3 MET 1 3H MET 1 9.235 28.775 2.601 4 HA MET 1 HA MET 1 11.010 30.539 2.467 5 HB2 MET 1 1HB MET 1 10.611 30.350 5.462 6 HB3 MET 1 2HB MET 1 11.928 31.190 4.657 7 HG2 MET 1 1HG MET 1 10.277 32.694 3.605 8 HG3 MET 1 2HG MET 1 9.004 31.890 4.519 9 HE1 MET 1 3HE MET 1 9.403 35.457 5.787 10 HE2 MET 1 1HE MET 1 8.268 34.290 6.467 11 HE3 MET 1 2HE MET 1 8.566 34.323 4.729 12 H VAL 2 H VAL 2 10.244 27.779 4.544 13 HA VAL 2 HA VAL 2 12.913 26.656 3.993 14 HB VAL 2 HB VAL 2 12.478 25.121 5.911 15 HG11 VAL 2 1HG1 VAL 2 12.776 26.865 7.673 16 HG12 VAL 2 2HG1 VAL 2 12.439 28.086 6.444 17 HG13 VAL 2 3HG1 VAL 2 13.849 27.039 6.286 18 HG21 VAL 2 3HG2 VAL 2 10.128 26.922 6.494 19 HG22 VAL 2 1HG2 VAL 2 10.675 25.541 7.446 20 HG23 VAL 2 2HG2 VAL 2 9.998 25.291 5.836 21 H ALA 3 H ALA 3 12.775 24.100 4.134 22 HA ALA 3 HA ALA 3 10.518 23.209 2.458 23 HB1 ALA 3 3HB ALA 3 12.820 21.657 1.858 24 HB2 ALA 3 1HB ALA 3 13.262 23.359 1.752 25 HB3 ALA 3 2HB ALA 3 11.916 22.738 0.799 26 H THR 4 H THR 4 9.449 21.483 3.238 27 HA THR 4 HA THR 4 10.832 19.432 4.744 28 HB THR 4 HB THR 4 10.365 20.922 6.564 29 HG1 THR 4 HG1 THR 4 9.905 18.973 7.319 30 HG21 THR 4 3HG2 THR 4 8.651 22.311 6.693 31 HG22 THR 4 1HG2 THR 4 7.497 20.985 6.553 32 HG23 THR 4 2HG2 THR 4 8.140 21.752 5.101 33 H VAL 5 H VAL 5 9.855 17.466 4.587 34 HA VAL 5 HA VAL 5 7.115 17.327 3.576 35 HB VAL 5 HB VAL 5 8.473 17.226 1.563 36 HG11 VAL 5 1HG1 VAL 5 10.534 16.389 2.722 37 HG12 VAL 5 2HG1 VAL 5 10.176 15.609 1.182 38 HG13 VAL 5 3HG1 VAL 5 9.813 14.780 2.695 39 HG21 VAL 5 3HG2 VAL 5 6.433 15.713 1.944 40 HG22 VAL 5 1HG2 VAL 5 7.604 14.401 2.084 41 HG23 VAL 5 2HG2 VAL 5 7.502 15.336 0.592 42 H LYS 6 H LYS 6 5.954 15.844 4.591 43 HA LYS 6 HA LYS 6 7.364 13.738 6.093 44 HB2 LYS 6 1HB LYS 6 5.585 15.687 7.027 45 HB3 LYS 6 2HB LYS 6 4.632 14.212 6.956 46 HG2 LYS 6 1HG LYS 6 5.468 13.726 8.953 47 HG3 LYS 6 2HG LYS 6 6.994 13.396 8.131 48 HD2 LYS 6 1HD LYS 6 6.439 16.229 8.759 49 HD3 LYS 6 2HD LYS 6 6.729 15.172 10.141 50 HE2 LYS 6 1HE LYS 6 8.916 15.178 9.743 51 HE3 LYS 6 2HE LYS 6 8.652 14.615 8.094 52 HZ1 LYS 6 3HZ LYS 6 8.843 16.691 7.257 53 HZ2 LYS 6 1HZ LYS 6 9.760 16.945 8.655 54 HZ3 LYS 6 2HZ LYS 6 8.144 17.441 8.602 55 H ARG 7 H ARG 7 7.217 11.874 5.035 56 HA ARG 7 HA ARG 7 4.723 11.228 3.610 57 HB2 ARG 7 1HB ARG 7 7.586 10.650 3.098 58 HB3 ARG 7 2HB ARG 7 6.444 9.377 2.692 59 HG2 ARG 7 1HG ARG 7 5.338 10.722 1.126 60 HG3 ARG 7 2HG ARG 7 6.102 12.194 1.723 61 HD2 ARG 7 1HD ARG 7 7.118 11.519 -0.370 62 HD3 ARG 7 2HD ARG 7 8.278 11.356 0.947 63 HE ARG 7 HE ARG 7 8.304 9.084 0.615 64 HH11 ARG 7 1HH1 ARG 7 5.598 10.448 -1.136 65 HH12 ARG 7 2HH1 ARG 7 5.275 8.995 -2.020 66 HH21 ARG 7 1HH2 ARG 7 7.869 7.162 -0.552 67 HH22 ARG 7 2HH2 ARG 7 6.563 7.130 -1.688 68 H THR 8 H THR 8 3.973 9.028 3.668 69 HA THR 8 HA THR 8 4.984 7.144 5.547 70 HB THR 8 HB THR 8 3.999 8.553 7.215 71 HG1 THR 8 HG1 THR 8 3.312 6.756 8.025 72 HG21 THR 8 3HG2 THR 8 2.399 9.974 6.623 73 HG22 THR 8 1HG2 THR 8 1.282 8.627 6.844 74 HG23 THR 8 2HG2 THR 8 1.918 8.992 5.240 75 H ILE 9 H ILE 9 4.488 5.196 4.760 76 HA ILE 9 HA ILE 9 2.158 4.985 2.978 77 HB ILE 9 HB ILE 9 4.304 4.510 1.879 78 HG12 ILE 9 1HG1 ILE 9 2.836 1.898 2.146 79 HG13 ILE 9 2HG1 ILE 9 2.074 3.292 1.390 80 HG21 ILE 9 1HG2 ILE 9 5.893 3.130 2.663 81 HG22 ILE 9 2HG2 ILE 9 4.722 1.936 3.223 82 HG23 ILE 9 3HG2 ILE 9 5.076 3.352 4.211 83 HD11 ILE 9 3HD1 ILE 9 3.328 3.132 -0.470 84 HD12 ILE 9 1HD1 ILE 9 3.460 1.450 0.044 85 HD13 ILE 9 2HD1 ILE 9 4.759 2.589 0.407 86 H ARG 10 H ARG 10 0.471 3.972 3.775 87 HA ARG 10 HA ARG 10 0.902 1.803 5.713 88 HB2 ARG 10 1HB ARG 10 -1.397 3.766 5.733 89 HB3 ARG 10 2HB ARG 10 -1.103 2.486 6.903 90 HG2 ARG 10 1HG ARG 10 0.539 3.646 7.972 91 HG3 ARG 10 2HG ARG 10 1.037 4.506 6.514 92 HD2 ARG 10 1HD ARG 10 0.034 6.099 7.961 93 HD3 ARG 10 2HD ARG 10 -1.112 5.791 6.655 94 HE ARG 10 HE ARG 10 -1.850 4.058 8.632 95 HH11 ARG 10 1HH1 ARG 10 -1.385 7.527 8.471 96 HH12 ARG 10 2HH1 ARG 10 -2.575 7.868 9.682 97 HH21 ARG 10 1HH2 ARG 10 -3.421 4.512 10.224 98 HH22 ARG 10 2HH2 ARG 10 -3.733 6.154 10.676 99 H ILE 11 H ILE 11 -0.070 -0.090 5.243 100 HA ILE 11 HA ILE 11 -2.173 -0.085 3.178 101 HB ILE 11 HB ILE 11 -1.267 -2.282 2.384 102 HG12 ILE 11 1HG1 ILE 11 1.442 -1.729 3.352 103 HG13 ILE 11 2HG1 ILE 11 0.322 -2.138 4.645 104 HG21 ILE 11 1HG2 ILE 11 0.268 0.273 2.080 105 HG22 ILE 11 2HG2 ILE 11 -0.849 -0.499 0.955 106 HG23 ILE 11 3HG2 ILE 11 0.752 -1.186 1.217 107 HD11 ILE 11 3HD1 ILE 11 1.667 -3.871 2.901 108 HD12 ILE 11 1HD1 ILE 11 -0.042 -3.959 2.479 109 HD13 ILE 11 2HD1 ILE 11 0.475 -4.280 4.135 110 H LYS 12 H LYS 12 -3.974 -1.169 3.681 111 HA LYS 12 HA LYS 12 -3.954 -2.801 6.127 112 HB2 LYS 12 1HB LYS 12 -5.890 -0.929 4.920 113 HB3 LYS 12 2HB LYS 12 -6.594 -2.397 5.583 114 HG2 LYS 12 1HG LYS 12 -6.620 -0.665 7.251 115 HG3 LYS 12 2HG LYS 12 -5.488 -1.928 7.735 116 HD2 LYS 12 1HD LYS 12 -4.353 0.070 8.186 117 HD3 LYS 12 2HD LYS 12 -3.683 -0.475 6.648 118 HE2 LYS 12 1HE LYS 12 -4.421 1.334 5.573 119 HE3 LYS 12 2HE LYS 12 -6.024 1.205 6.295 120 HZ1 LYS 12 3HZ LYS 12 -3.747 2.812 7.106 121 HZ2 LYS 12 1HZ LYS 12 -4.606 2.089 8.374 122 HZ3 LYS 12 2HZ LYS 12 -5.401 3.111 7.283 123 H THR 13 H THR 13 -3.824 -4.908 5.753 124 HA THR 13 HA THR 13 -5.320 -6.012 3.461 125 HB THR 13 HB THR 13 -2.946 -7.445 4.582 126 HG1 THR 13 HG1 THR 13 -2.833 -5.203 2.857 127 HG21 THR 13 3HG2 THR 13 -2.882 -8.573 2.642 128 HG22 THR 13 1HG2 THR 13 -3.412 -7.188 1.687 129 HG23 THR 13 2HG2 THR 13 -4.589 -8.130 2.601 130 H GLN 14 H GLN 14 -7.049 -7.114 4.160 131 HA GLN 14 HA GLN 14 -6.713 -8.915 6.458 132 HB2 GLN 14 1HB GLN 14 -9.148 -7.171 6.055 133 HB3 GLN 14 2HB GLN 14 -8.855 -8.281 7.386 134 HG2 GLN 14 1HG GLN 14 -6.661 -6.640 7.483 135 HG3 GLN 14 2HG GLN 14 -7.950 -5.542 6.997 136 HE21 GLN 14 2HE2 GLN 14 -9.699 -5.204 8.398 137 HE22 GLN 14 1HE2 GLN 14 -9.610 -5.613 10.073 138 H GLN 15 H GLN 15 -8.180 -10.707 6.516 139 HA GLN 15 HA GLN 15 -9.814 -11.183 4.150 140 HB2 GLN 15 1HB GLN 15 -7.688 -12.050 3.419 141 HB3 GLN 15 2HB GLN 15 -7.475 -12.931 4.924 142 HG2 GLN 15 1HG GLN 15 -8.482 -14.699 4.065 143 HG3 GLN 15 2HG GLN 15 -9.931 -13.751 3.744 144 HE21 GLN 15 2HE2 GLN 15 -10.166 -12.758 1.694 145 HE22 GLN 15 1HE2 GLN 15 -9.294 -13.344 0.322 146 H HIS 16 H HIS 16 -11.557 -12.480 4.530 147 HA HIS 16 HA HIS 16 -11.629 -13.969 7.065 148 HB2 HIS 16 1HB HIS 16 -12.765 -11.734 7.303 149 HB3 HIS 16 2HB HIS 16 -13.922 -12.260 6.086 150 HD1 HIS 16 HD1 HIS 16 -15.408 -14.393 6.774 151 HD2 HIS 16 HD2 HIS 16 -13.334 -12.527 9.854 152 HE1 HIS 16 HE1 HIS 16 -16.498 -15.187 8.896 153 HE2 HIS 16 HE2 HIS 16 -15.271 -13.992 10.743 154 H ILE 17 H ILE 17 -12.096 -16.031 6.663 155 HA ILE 17 HA ILE 17 -13.839 -16.654 4.363 156 HB ILE 17 HB ILE 17 -11.835 -18.601 5.472 157 HG12 ILE 17 1HG1 ILE 17 -11.326 -16.705 3.169 158 HG13 ILE 17 2HG1 ILE 17 -10.652 -16.499 4.781 159 HG21 ILE 17 1HG2 ILE 17 -13.430 -18.354 2.943 160 HG22 ILE 17 2HG2 ILE 17 -13.380 -19.684 4.101 161 HG23 ILE 17 3HG2 ILE 17 -12.006 -19.390 3.038 162 HD11 ILE 17 3HD1 ILE 17 -9.465 -18.611 4.560 163 HD12 ILE 17 1HD1 ILE 17 -9.045 -17.497 3.260 164 HD13 ILE 17 2HD1 ILE 17 -10.153 -18.834 2.951 165 H LEU 18 H LEU 18 -15.737 -17.524 4.900 166 HA LEU 18 HA LEU 18 -15.978 -19.543 6.910 167 HB2 LEU 18 1HB LEU 18 -16.314 -16.834 7.715 168 HB3 LEU 18 2HB LEU 18 -17.887 -17.605 7.754 169 HG LEU 18 HG LEU 18 -15.503 -18.856 9.092 170 HD11 LEU 18 1HD1 LEU 18 -17.267 -16.646 10.073 171 HD12 LEU 18 2HD1 LEU 18 -15.516 -16.814 10.190 172 HD13 LEU 18 3HD1 LEU 18 -16.564 -17.810 11.197 173 HD21 LEU 18 3HD2 LEU 18 -16.988 -20.272 10.063 174 HD22 LEU 18 1HD2 LEU 18 -17.887 -19.925 8.586 175 HD23 LEU 18 2HD2 LEU 18 -18.286 -19.080 10.082 176 HA PRO 19 HA PRO 19 -19.232 -20.264 3.893 177 HB2 PRO 19 1HB PRO 19 -19.821 -22.780 4.672 178 HB3 PRO 19 2HB PRO 19 -18.377 -22.396 3.726 179 HG2 PRO 19 1HG PRO 19 -18.644 -22.875 6.668 180 HG3 PRO 19 2HG PRO 19 -17.395 -23.451 5.549 181 HD2 PRO 19 1HD PRO 19 -17.051 -21.311 7.201 182 HD3 PRO 19 2HD PRO 19 -16.231 -21.476 5.637 183 H GLU 20 H GLU 20 -19.469 -20.078 7.309 184 HA GLU 20 HA GLU 20 -21.994 -20.922 7.950 185 HB2 GLU 20 1HB GLU 20 -20.047 -19.188 9.100 186 HB3 GLU 20 2HB GLU 20 -21.615 -18.402 9.229 187 HG2 GLU 20 1HG GLU 20 -21.946 -19.619 11.049 188 HG3 GLU 20 2HG GLU 20 -22.134 -21.006 9.978 189 H VAL 21 H VAL 21 -21.105 -17.800 6.499 190 HA VAL 21 HA VAL 21 -23.732 -16.736 6.455 191 HB VAL 21 HB VAL 21 -21.488 -16.031 4.558 192 HG11 VAL 21 1HG1 VAL 21 -23.665 -14.238 5.597 193 HG12 VAL 21 2HG1 VAL 21 -23.850 -15.200 4.131 194 HG13 VAL 21 3HG1 VAL 21 -22.582 -13.977 4.229 195 HG21 VAL 21 3HG2 VAL 21 -21.981 -15.159 7.392 196 HG22 VAL 21 1HG2 VAL 21 -21.061 -14.173 6.257 197 HG23 VAL 21 2HG2 VAL 21 -20.500 -15.791 6.674 198 HA PRO 22 HA PRO 22 -25.189 -19.591 3.264 199 HB2 PRO 22 1HB PRO 22 -27.698 -18.456 3.120 200 HB3 PRO 22 2HB PRO 22 -27.227 -19.710 4.272 201 HG2 PRO 22 1HG PRO 22 -27.411 -16.751 4.658 202 HG3 PRO 22 2HG PRO 22 -27.883 -18.058 5.760 203 HD2 PRO 22 1HD PRO 22 -25.603 -16.686 6.100 204 HD3 PRO 22 2HD PRO 22 -25.707 -18.421 6.463 205 HA PRO 23 HA PRO 23 -24.356 -16.481 0.055 206 HB2 PRO 23 1HB PRO 23 -23.444 -18.709 -1.564 207 HB3 PRO 23 2HB PRO 23 -22.502 -17.381 -0.888 208 HG2 PRO 23 1HG PRO 23 -22.263 -19.963 -0.056 209 HG3 PRO 23 2HG PRO 23 -21.939 -18.567 0.988 210 HD2 PRO 23 1HD PRO 23 -24.385 -20.294 0.835 211 HD3 PRO 23 2HD PRO 23 -23.546 -19.654 2.265 212 H VAL 24 H VAL 24 -24.582 -17.180 -2.603 213 HA VAL 24 HA VAL 24 -27.435 -17.327 -2.906 214 HB VAL 24 HB VAL 24 -25.349 -17.297 -5.091 215 HG11 VAL 24 1HG1 VAL 24 -27.243 -17.766 -6.250 216 HG12 VAL 24 2HG1 VAL 24 -27.447 -16.017 -6.134 217 HG13 VAL 24 3HG1 VAL 24 -28.302 -17.081 -5.018 218 HG21 VAL 24 3HG2 VAL 24 -26.759 -14.802 -4.436 219 HG22 VAL 24 1HG2 VAL 24 -25.071 -15.073 -4.864 220 HG23 VAL 24 2HG2 VAL 24 -25.616 -15.352 -3.212 221 H GLU 25 H GLU 25 -24.748 -19.548 -3.293 222 HA GLU 25 HA GLU 25 -26.434 -21.808 -3.348 223 HB2 GLU 25 1HB GLU 25 -26.653 -20.858 -5.731 224 HB3 GLU 25 2HB GLU 25 -24.997 -21.402 -5.965 225 HG2 GLU 25 1HG GLU 25 -25.677 -23.690 -5.439 226 HG3 GLU 25 2HG GLU 25 -27.337 -23.140 -5.213 227 H ASN 26 H ASN 26 -25.205 -22.849 -1.920 228 HA ASN 26 HA ASN 26 -23.421 -23.740 -0.846 229 HB2 ASN 26 1HB ASN 26 -22.227 -25.401 -2.100 230 HB3 ASN 26 2HB ASN 26 -23.873 -25.345 -2.711 231 HD21 ASN 26 2HD2 ASN 26 -24.231 -24.831 -4.819 232 HD22 ASN 26 1HD2 ASN 26 -22.971 -24.520 -5.959 233 H PHE 27 H PHE 27 -20.731 -24.190 -1.694 234 HA PHE 27 HA PHE 27 -18.687 -23.206 -1.777 235 HB2 PHE 27 1HB PHE 27 -20.343 -21.183 -3.211 236 HB3 PHE 27 2HB PHE 27 -18.746 -20.695 -2.668 237 HD1 PHE 27 HD2 PHE 27 -16.905 -22.648 -3.198 238 HD2 PHE 27 HD1 PHE 27 -20.470 -21.852 -5.382 239 HE1 PHE 27 HE2 PHE 27 -15.915 -23.696 -5.189 240 HE2 PHE 27 HE1 PHE 27 -19.484 -22.898 -7.378 241 HZ PHE 27 HZ PHE 27 -17.203 -23.822 -7.283 242 HA PRO 28 HA PRO 28 -18.660 -21.234 2.198 243 HB2 PRO 28 1HB PRO 28 -15.981 -20.792 2.393 244 HB3 PRO 28 2HB PRO 28 -16.725 -22.374 2.646 245 HG2 PRO 28 1HG PRO 28 -15.332 -21.298 0.230 246 HG3 PRO 28 2HG PRO 28 -15.241 -22.915 0.948 247 HD2 PRO 28 1HD PRO 28 -16.750 -22.360 -1.242 248 HD3 PRO 28 2HD PRO 28 -17.188 -23.612 -0.061 249 H VAL 29 H VAL 29 -16.699 -19.778 -0.398 250 HA VAL 29 HA VAL 29 -16.421 -17.641 -1.102 251 HB VAL 29 HB VAL 29 -18.727 -16.885 0.693 252 HG11 VAL 29 1HG1 VAL 29 -18.846 -15.257 -1.471 253 HG12 VAL 29 2HG1 VAL 29 -17.105 -15.473 -1.307 254 HG13 VAL 29 3HG1 VAL 29 -18.045 -14.844 0.044 255 HG21 VAL 29 3HG2 VAL 29 -18.895 -18.731 -1.294 256 HG22 VAL 29 1HG2 VAL 29 -19.231 -17.245 -2.181 257 HG23 VAL 29 2HG2 VAL 29 -20.221 -17.685 -0.789 258 H ARG 30 H ARG 30 -14.880 -16.250 -0.536 259 HA ARG 30 HA ARG 30 -14.448 -15.760 2.338 260 HB2 ARG 30 1HB ARG 30 -12.017 -15.361 1.617 261 HB3 ARG 30 2HB ARG 30 -12.592 -17.021 1.668 262 HG2 ARG 30 1HG ARG 30 -12.775 -15.547 -0.905 263 HG3 ARG 30 2HG ARG 30 -11.191 -16.103 -0.360 264 HD2 ARG 30 1HD ARG 30 -13.628 -17.860 -0.627 265 HD3 ARG 30 2HD ARG 30 -12.365 -17.716 -1.844 266 HE ARG 30 HE ARG 30 -12.231 -19.162 0.648 267 HH11 ARG 30 1HH1 ARG 30 -10.382 -17.683 -1.928 268 HH12 ARG 30 2HH1 ARG 30 -8.988 -18.676 -1.669 269 HH21 ARG 30 1HH2 ARG 30 -10.387 -20.462 1.000 270 HH22 ARG 30 2HH2 ARG 30 -8.987 -20.252 0.001 271 H GLN 31 H GLN 31 -13.340 -13.715 2.851 272 HA GLN 31 HA GLN 31 -14.035 -11.565 0.963 273 HB2 GLN 31 1HB GLN 31 -14.911 -11.994 3.697 274 HB3 GLN 31 2HB GLN 31 -14.102 -10.448 3.517 275 HG2 GLN 31 1HG GLN 31 -15.623 -9.798 1.770 276 HG3 GLN 31 2HG GLN 31 -16.386 -11.386 1.806 277 HE21 GLN 31 2HE2 GLN 31 -17.861 -11.861 3.388 278 HE22 GLN 31 1HE2 GLN 31 -18.463 -10.690 4.506 279 H TRP 32 H TRP 32 -12.785 -9.579 1.244 280 HA TRP 32 HA TRP 32 -10.329 -9.679 2.744 281 HB2 TRP 32 1HB TRP 32 -8.912 -9.332 0.665 282 HB3 TRP 32 2HB TRP 32 -9.529 -10.963 0.903 283 HD1 TRP 32 HD1 TRP 32 -11.823 -11.552 -0.611 284 HE1 TRP 32 HE1 TRP 32 -12.359 -10.850 -3.027 285 HE3 TRP 32 HE3 TRP 32 -8.580 -7.622 -1.054 286 HZ2 TRP 32 HZ2 TRP 32 -11.517 -8.894 -4.877 287 HZ3 TRP 32 HZ3 TRP 32 -8.509 -6.387 -3.182 288 HH2 TRP 32 HH2 TRP 32 -9.947 -7.013 -5.054 289 H SER 33 H SER 33 -9.064 -7.686 2.536 290 HA SER 33 HA SER 33 -10.402 -5.432 1.273 291 HB2 SER 33 1HB SER 33 -10.521 -4.100 3.285 292 HB3 SER 33 2HB SER 33 -11.361 -5.619 3.583 293 HG SER 33 HG SER 33 -9.612 -4.675 5.127 294 H ILE 34 H ILE 34 -8.912 -4.280 0.241 295 HA ILE 34 HA ILE 34 -6.203 -4.155 1.386 296 HB ILE 34 HB ILE 34 -6.215 -5.661 -0.561 297 HG12 ILE 34 1HG1 ILE 34 -4.435 -4.412 -1.883 298 HG13 ILE 34 2HG1 ILE 34 -4.755 -3.031 -0.841 299 HG21 ILE 34 1HG2 ILE 34 -8.075 -4.070 -1.652 300 HG22 ILE 34 2HG2 ILE 34 -7.069 -5.168 -2.594 301 HG23 ILE 34 3HG2 ILE 34 -6.644 -3.460 -2.482 302 HD11 ILE 34 3HD1 ILE 34 -3.490 -5.647 -0.180 303 HD12 ILE 34 1HD1 ILE 34 -4.296 -4.717 1.082 304 HD13 ILE 34 2HD1 ILE 34 -2.951 -4.008 0.188 305 H GLU 35 H GLU 35 -5.521 -2.172 1.780 306 HA GLU 35 HA GLU 35 -6.642 0.058 0.223 307 HB2 GLU 35 1HB GLU 35 -7.680 0.041 2.429 308 HB3 GLU 35 2HB GLU 35 -6.101 -0.003 3.191 309 HG2 GLU 35 1HG GLU 35 -6.388 2.240 1.377 310 HG3 GLU 35 2HG GLU 35 -7.595 2.239 2.661 311 H ILE 36 H ILE 36 -5.206 1.545 -0.515 312 HA ILE 36 HA ILE 36 -2.406 1.291 0.382 313 HB ILE 36 HB ILE 36 -3.226 2.055 -2.418 314 HG12 ILE 36 1HG1 ILE 36 -2.110 -0.648 -1.758 315 HG13 ILE 36 2HG1 ILE 36 -3.840 -0.359 -1.599 316 HG21 ILE 36 1HG2 ILE 36 -0.586 0.885 -1.695 317 HG22 ILE 36 2HG2 ILE 36 -0.907 2.575 -1.302 318 HG23 ILE 36 3HG2 ILE 36 -1.010 2.025 -2.974 319 HD11 ILE 36 3HD1 ILE 36 -4.160 -0.226 -3.834 320 HD12 ILE 36 1HD1 ILE 36 -2.735 -1.265 -3.832 321 HD13 ILE 36 2HD1 ILE 36 -2.565 0.464 -4.135 322 H VAL 37 H VAL 37 -2.072 3.080 1.616 323 HA VAL 37 HA VAL 37 -2.857 5.678 0.458 324 HB VAL 37 HB VAL 37 -2.926 6.605 2.752 325 HG11 VAL 37 1HG1 VAL 37 -5.070 6.277 2.165 326 HG12 VAL 37 2HG1 VAL 37 -5.005 5.027 3.406 327 HG13 VAL 37 3HG1 VAL 37 -4.804 4.595 1.709 328 HG21 VAL 37 3HG2 VAL 37 -1.551 4.432 3.546 329 HG22 VAL 37 1HG2 VAL 37 -3.184 3.943 3.995 330 HG23 VAL 37 2HG2 VAL 37 -2.504 5.438 4.634 331 H LEU 38 H LEU 38 -1.437 7.425 0.665 332 HA LEU 38 HA LEU 38 1.050 7.321 1.993 333 HB2 LEU 38 1HB LEU 38 2.493 7.315 -0.073 334 HB3 LEU 38 2HB LEU 38 1.798 5.772 0.381 335 HG LEU 38 HG LEU 38 -0.081 6.553 -1.353 336 HD11 LEU 38 1HD1 LEU 38 1.513 7.467 -3.302 337 HD12 LEU 38 2HD1 LEU 38 2.274 8.240 -1.913 338 HD13 LEU 38 3HD1 LEU 38 0.567 8.518 -2.250 339 HD21 LEU 38 3HD2 LEU 38 1.832 4.627 -1.275 340 HD22 LEU 38 1HD2 LEU 38 2.291 5.507 -2.732 341 HD23 LEU 38 2HD2 LEU 38 0.670 4.832 -2.584 342 H LEU 39 H LEU 39 2.268 9.255 1.787 343 HA LEU 39 HA LEU 39 0.751 11.468 0.569 344 HB2 LEU 39 1HB LEU 39 1.766 11.127 3.157 345 HB3 LEU 39 2HB LEU 39 2.845 12.281 2.394 346 HG LEU 39 HG LEU 39 0.772 13.612 1.769 347 HD11 LEU 39 1HD1 LEU 39 -0.435 11.505 3.510 348 HD12 LEU 39 2HD1 LEU 39 -1.038 12.202 2.007 349 HD13 LEU 39 3HD1 LEU 39 -1.107 13.136 3.500 350 HD21 LEU 39 3HD2 LEU 39 2.297 14.266 3.554 351 HD22 LEU 39 1HD2 LEU 39 1.429 13.230 4.686 352 HD23 LEU 39 2HD2 LEU 39 0.627 14.634 3.984 353 H ASP 40 H ASP 40 2.084 13.295 -0.267 354 HA ASP 40 HA ASP 40 4.821 13.015 -0.852 355 HB2 ASP 40 1HB ASP 40 4.587 12.694 -3.355 356 HB3 ASP 40 2HB ASP 40 4.317 11.263 -2.372 357 H ASP 41 H ASP 41 1.769 14.286 -2.177 358 HA ASP 41 HA ASP 41 3.072 16.722 -3.050 359 HB2 ASP 41 1HB ASP 41 0.238 15.711 -3.219 360 HB3 ASP 41 2HB ASP 41 0.674 17.346 -3.698 361 H GLU 42 H GLU 42 2.167 15.745 -0.067 362 HA GLU 42 HA GLU 42 0.814 18.163 0.781 363 HB2 GLU 42 1HB GLU 42 1.242 15.498 1.850 364 HB3 GLU 42 2HB GLU 42 1.540 16.740 3.059 365 HG2 GLU 42 1HG GLU 42 -0.747 16.025 3.180 366 HG3 GLU 42 2HG GLU 42 -0.681 17.689 2.601 367 H GLY 43 H GLY 43 4.064 16.903 0.709 368 HA2 GLY 43 1HA GLY 43 4.927 19.138 2.424 369 HA3 GLY 43 2HA GLY 43 5.820 17.642 2.232 370 H LYS 44 H LYS 44 6.659 17.202 0.018 371 HA LYS 44 HA LYS 44 7.917 19.612 -0.997 372 HB2 LYS 44 1HB LYS 44 8.436 16.692 -1.199 373 HB3 LYS 44 2HB LYS 44 8.999 17.698 -2.524 374 HG2 LYS 44 1HG LYS 44 9.678 18.207 0.362 375 HG3 LYS 44 2HG LYS 44 10.684 17.262 -0.736 376 HD2 LYS 44 1HD LYS 44 11.312 19.098 -1.959 377 HD3 LYS 44 2HD LYS 44 9.836 19.988 -1.583 378 HE2 LYS 44 1HE LYS 44 11.423 21.128 -0.350 379 HE3 LYS 44 2HE LYS 44 10.761 20.007 0.838 380 HZ1 LYS 44 3HZ LYS 44 13.380 19.957 -0.504 381 HZ2 LYS 44 1HZ LYS 44 12.703 18.505 0.044 382 HZ3 LYS 44 2HZ LYS 44 13.015 19.759 1.134 383 H GLU 45 H GLU 45 6.186 16.841 -2.458 384 HA GLU 45 HA GLU 45 4.855 16.677 -4.295 385 HB2 GLU 45 1HB GLU 45 3.790 18.715 -3.147 386 HB3 GLU 45 2HB GLU 45 4.650 19.684 -4.333 387 HG2 GLU 45 1HG GLU 45 3.171 17.507 -5.551 388 HG3 GLU 45 2HG GLU 45 2.137 18.576 -4.612 389 H ILE 46 H ILE 46 7.864 17.463 -4.410 390 HA ILE 46 HA ILE 46 7.918 18.384 -7.208 391 HB ILE 46 HB ILE 46 10.193 18.381 -5.214 392 HG12 ILE 46 1HG1 ILE 46 9.031 20.946 -6.132 393 HG13 ILE 46 2HG1 ILE 46 8.024 20.006 -5.036 394 HG21 ILE 46 1HG2 ILE 46 11.343 19.789 -6.811 395 HG22 ILE 46 2HG2 ILE 46 9.952 19.739 -7.895 396 HG23 ILE 46 3HG2 ILE 46 10.872 18.269 -7.572 397 HD11 ILE 46 3HD1 ILE 46 10.259 19.877 -3.651 398 HD12 ILE 46 1HD1 ILE 46 9.176 21.263 -3.539 399 HD13 ILE 46 2HD1 ILE 46 10.620 21.350 -4.549 400 HA PRO 47 HA PRO 47 9.155 14.359 -8.618 401 HB2 PRO 47 1HB PRO 47 10.932 15.853 -10.478 402 HB3 PRO 47 2HB PRO 47 9.693 14.646 -10.837 403 HG2 PRO 47 1HG PRO 47 9.262 17.226 -11.318 404 HG3 PRO 47 2HG PRO 47 7.966 16.189 -10.694 405 HD2 PRO 47 1HD PRO 47 9.638 18.211 -9.262 406 HD3 PRO 47 2HD PRO 47 7.916 17.827 -9.066 407 H ALA 48 H ALA 48 11.233 13.135 -9.191 408 HA ALA 48 HA ALA 48 13.675 14.134 -7.999 409 HB1 ALA 48 3HB ALA 48 12.141 13.133 -6.158 410 HB2 ALA 48 1HB ALA 48 13.845 12.686 -6.197 411 HB3 ALA 48 2HB ALA 48 12.630 11.580 -6.836 412 H THR 49 H THR 49 15.016 11.697 -7.696 413 HA THR 49 HA THR 49 15.706 11.088 -10.377 414 HB THR 49 HB THR 49 16.937 9.112 -9.145 415 HG1 THR 49 HG1 THR 49 16.329 9.040 -7.134 416 HG21 THR 49 3HG2 THR 49 18.316 10.812 -9.925 417 HG22 THR 49 1HG2 THR 49 18.627 10.773 -8.190 418 HG23 THR 49 2HG2 THR 49 17.582 12.020 -8.871 419 H ILE 50 H ILE 50 13.966 9.263 -7.862 420 HA ILE 50 HA ILE 50 12.970 7.481 -9.982 421 HB ILE 50 HB ILE 50 13.319 6.827 -7.050 422 HG12 ILE 50 1HG1 ILE 50 14.754 5.586 -9.394 423 HG13 ILE 50 2HG1 ILE 50 15.400 6.980 -8.535 424 HG21 ILE 50 1HG2 ILE 50 11.375 5.719 -8.054 425 HG22 ILE 50 2HG2 ILE 50 12.652 4.568 -7.663 426 HG23 ILE 50 3HG2 ILE 50 12.407 5.079 -9.332 427 HD11 ILE 50 3HD1 ILE 50 16.442 5.421 -7.315 428 HD12 ILE 50 1HD1 ILE 50 15.287 4.160 -7.746 429 HD13 ILE 50 2HD1 ILE 50 14.898 5.314 -6.471 430 H PHE 51 H PHE 51 11.764 7.777 -6.660 431 HA PHE 51 HA PHE 51 9.687 8.168 -5.839 432 HB2 PHE 51 1HB PHE 51 10.201 10.447 -6.166 433 HB3 PHE 51 2HB PHE 51 9.988 10.333 -7.905 434 HD1 PHE 51 HD2 PHE 51 7.950 9.716 -4.820 435 HD2 PHE 51 HD1 PHE 51 8.128 11.372 -8.739 436 HE1 PHE 51 HE2 PHE 51 5.641 10.540 -4.576 437 HE2 PHE 51 HE1 PHE 51 5.825 12.197 -8.497 438 HZ PHE 51 HZ PHE 51 4.578 11.781 -6.417 439 H ASP 52 H ASP 52 8.627 6.280 -6.310 440 HA ASP 52 HA ASP 52 6.368 6.438 -7.992 441 HB2 ASP 52 1HB ASP 52 8.389 5.959 -9.605 442 HB3 ASP 52 2HB ASP 52 8.231 4.316 -8.991 443 H LYS 53 H LYS 53 4.937 5.402 -6.800 444 HA LYS 53 HA LYS 53 5.800 3.122 -5.179 445 HB2 LYS 53 1HB LYS 53 3.164 4.585 -5.015 446 HB3 LYS 53 2HB LYS 53 3.870 3.502 -3.825 447 HG2 LYS 53 1HG LYS 53 4.446 5.422 -2.815 448 HG3 LYS 53 2HG LYS 53 5.802 5.367 -3.943 449 HD2 LYS 53 1HD LYS 53 3.474 6.584 -5.151 450 HD3 LYS 53 2HD LYS 53 3.925 7.409 -3.661 451 HE2 LYS 53 1HE LYS 53 5.795 8.261 -4.562 452 HE3 LYS 53 2HE LYS 53 6.199 6.752 -5.380 453 HZ1 LYS 53 3HZ LYS 53 4.418 7.352 -7.026 454 HZ2 LYS 53 1HZ LYS 53 5.789 8.347 -7.051 455 HZ3 LYS 53 2HZ LYS 53 4.366 8.887 -6.316 456 H VAL 54 H VAL 54 5.267 1.109 -5.730 457 HA VAL 54 HA VAL 54 3.035 0.731 -7.615 458 HB VAL 54 HB VAL 54 4.237 -1.184 -8.585 459 HG11 VAL 54 1HG1 VAL 54 5.217 1.594 -8.730 460 HG12 VAL 54 2HG1 VAL 54 4.618 0.530 -10.002 461 HG13 VAL 54 3HG1 VAL 54 6.273 0.366 -9.423 462 HG21 VAL 54 3HG2 VAL 54 6.592 -1.559 -8.109 463 HG22 VAL 54 1HG2 VAL 54 5.632 -1.744 -6.642 464 HG23 VAL 54 2HG2 VAL 54 6.570 -0.274 -6.903 465 H ILE 55 H ILE 55 1.521 -0.707 -7.098 466 HA ILE 55 HA ILE 55 2.010 -2.512 -4.816 467 HB ILE 55 HB ILE 55 -0.777 -1.636 -5.364 468 HG12 ILE 55 1HG1 ILE 55 0.383 0.507 -5.458 469 HG13 ILE 55 2HG1 ILE 55 -0.521 0.378 -3.954 470 HG21 ILE 55 1HG2 ILE 55 -1.163 -2.280 -3.226 471 HG22 ILE 55 2HG2 ILE 55 0.410 -1.725 -2.654 472 HG23 ILE 55 3HG2 ILE 55 0.279 -3.249 -3.532 473 HD11 ILE 55 3HD1 ILE 55 2.184 1.011 -4.289 474 HD12 ILE 55 1HD1 ILE 55 2.141 -0.596 -3.563 475 HD13 ILE 55 2HD1 ILE 55 1.313 0.749 -2.778 476 H TYR 56 H TYR 56 1.293 -4.596 -4.985 477 HA TYR 56 HA TYR 56 -0.336 -5.370 -7.283 478 HB2 TYR 56 1HB TYR 56 2.365 -6.604 -6.686 479 HB3 TYR 56 2HB TYR 56 1.225 -7.183 -7.897 480 HD1 TYR 56 HD2 TYR 56 0.789 -5.845 -9.926 481 HD2 TYR 56 HD1 TYR 56 3.760 -4.698 -7.106 482 HE1 TYR 56 HE2 TYR 56 1.780 -4.336 -11.594 483 HE2 TYR 56 HE1 TYR 56 4.760 -3.184 -8.765 484 HH TYR 56 HH TYR 56 4.634 -3.256 -11.633 485 H HIS 57 H HIS 57 -2.019 -6.065 -6.031 486 HA HIS 57 HA HIS 57 -1.430 -8.136 -4.020 487 HB2 HIS 57 1HB HIS 57 -3.667 -7.556 -3.059 488 HB3 HIS 57 2HB HIS 57 -2.495 -6.247 -2.985 489 HD1 HIS 57 HD1 HIS 57 -2.982 -4.141 -4.376 490 HD2 HIS 57 HD2 HIS 57 -5.863 -7.111 -4.767 491 HE1 HIS 57 HE1 HIS 57 -4.933 -3.039 -5.514 492 HE2 HIS 57 HE2 HIS 57 -6.652 -4.865 -5.776 493 H LEU 58 H LEU 58 -2.066 -10.146 -4.417 494 HA LEU 58 HA LEU 58 -3.151 -11.941 -5.271 495 HB2 LEU 58 1HB LEU 58 -5.229 -9.967 -6.214 496 HB3 LEU 58 2HB LEU 58 -5.415 -11.707 -6.168 497 HG LEU 58 HG LEU 58 -4.689 -10.708 -3.558 498 HD11 LEU 58 1HD1 LEU 58 -5.780 -8.757 -3.585 499 HD12 LEU 58 2HD1 LEU 58 -7.235 -9.748 -3.498 500 HD13 LEU 58 3HD1 LEU 58 -6.665 -9.154 -5.057 501 HD21 LEU 58 3HD2 LEU 58 -6.114 -12.310 -2.894 502 HD22 LEU 58 1HD2 LEU 58 -6.051 -12.818 -4.580 503 HD23 LEU 58 2HD2 LEU 58 -7.376 -11.800 -4.015 504 H HIS 59 H HIS 59 -3.684 -13.025 -7.326 505 HA HIS 59 HA HIS 59 -1.926 -12.109 -9.393 506 HB2 HIS 59 1HB HIS 59 -2.870 -14.590 -8.603 507 HB3 HIS 59 2HB HIS 59 -3.656 -14.324 -10.155 508 HD1 HIS 59 HD1 HIS 59 -0.883 -15.993 -8.979 509 HD2 HIS 59 HD2 HIS 59 -1.356 -13.161 -11.984 510 HE1 HIS 59 HE1 HIS 59 1.101 -16.286 -10.498 511 HE2 HIS 59 HE2 HIS 59 0.757 -14.608 -12.347 512 HA PRO 60 HA PRO 60 -6.350 -12.004 -11.778 513 HB2 PRO 60 1HB PRO 60 -7.663 -10.809 -9.376 514 HB3 PRO 60 2HB PRO 60 -8.353 -11.780 -10.679 515 HG2 PRO 60 1HG PRO 60 -7.833 -12.880 -8.320 516 HG3 PRO 60 2HG PRO 60 -7.521 -13.771 -9.821 517 HD2 PRO 60 1HD PRO 60 -5.612 -12.465 -7.952 518 HD3 PRO 60 2HD PRO 60 -5.398 -13.908 -8.961 519 H THR 61 H THR 61 -5.103 -9.735 -9.366 520 HA THR 61 HA THR 61 -6.061 -7.384 -10.643 521 HB THR 61 HB THR 61 -3.738 -7.675 -8.727 522 HG1 THR 61 HG1 THR 61 -6.523 -7.403 -8.289 523 HG21 THR 61 3HG2 THR 61 -3.675 -5.485 -9.613 524 HG22 THR 61 1HG2 THR 61 -4.438 -5.374 -8.029 525 HG23 THR 61 2HG2 THR 61 -5.426 -5.309 -9.487 526 H PHE 62 H PHE 62 -3.939 -9.549 -11.874 527 HA PHE 62 HA PHE 62 -1.743 -8.029 -12.750 528 HB2 PHE 62 1HB PHE 62 -2.231 -10.603 -12.892 529 HB3 PHE 62 2HB PHE 62 -2.929 -10.194 -14.453 530 HD1 PHE 62 HD2 PHE 62 0.169 -9.339 -12.540 531 HD2 PHE 62 HD1 PHE 62 -1.554 -10.536 -16.242 532 HE1 PHE 62 HE2 PHE 62 2.409 -9.421 -13.552 533 HE2 PHE 62 HE1 PHE 62 0.683 -10.622 -17.260 534 HZ PHE 62 HZ PHE 62 2.669 -10.063 -15.915 535 H ALA 63 H ALA 63 -5.014 -8.368 -14.006 536 HA ALA 63 HA ALA 63 -4.628 -7.221 -16.541 537 HB1 ALA 63 3HB ALA 63 -6.960 -7.712 -14.784 538 HB2 ALA 63 1HB ALA 63 -6.678 -8.184 -16.461 539 HB3 ALA 63 2HB ALA 63 -7.161 -6.532 -16.078 540 H ASN 64 H ASN 64 -5.286 -5.754 -13.383 541 HA ASN 64 HA ASN 64 -4.584 -3.152 -14.547 542 HB2 ASN 64 1HB ASN 64 -6.272 -2.070 -13.053 543 HB3 ASN 64 2HB ASN 64 -6.975 -3.068 -14.319 544 HD21 ASN 64 2HD2 ASN 64 -7.712 -5.209 -13.721 545 HD22 ASN 64 1HD2 ASN 64 -8.287 -5.489 -12.116 546 HA PRO 65 HA PRO 65 -1.799 -3.921 -10.989 547 HB2 PRO 65 1HB PRO 65 0.238 -2.424 -11.988 548 HB3 PRO 65 2HB PRO 65 -0.033 -4.110 -12.444 549 HG2 PRO 65 1HG PRO 65 -0.800 -1.607 -13.900 550 HG3 PRO 65 2HG PRO 65 -0.096 -3.103 -14.541 551 HD2 PRO 65 1HD PRO 65 -2.733 -2.543 -14.731 552 HD3 PRO 65 2HD PRO 65 -2.125 -4.201 -14.552 553 H ASN 66 H ASN 66 -1.127 -2.555 -9.305 554 HA ASN 66 HA ASN 66 -2.442 0.059 -9.294 555 HB2 ASN 66 1HB ASN 66 -1.525 -1.824 -7.151 556 HB3 ASN 66 2HB ASN 66 -1.753 -0.119 -6.771 557 HD21 ASN 66 2HD2 ASN 66 -3.375 -2.949 -8.127 558 HD22 ASN 66 1HD2 ASN 66 -4.965 -2.490 -7.637 559 H ARG 67 H ARG 67 -1.370 1.925 -9.301 560 HA ARG 67 HA ARG 67 1.444 2.019 -8.542 561 HB2 ARG 67 1HB ARG 67 0.510 2.095 -11.282 562 HB3 ARG 67 2HB ARG 67 1.321 3.597 -10.861 563 HG2 ARG 67 1HG ARG 67 3.175 2.491 -11.452 564 HG3 ARG 67 2HG ARG 67 3.053 1.780 -9.840 565 HD2 ARG 67 1HD ARG 67 3.381 0.014 -11.425 566 HD3 ARG 67 2HD ARG 67 1.726 -0.076 -10.822 567 HE ARG 67 HE ARG 67 1.479 1.396 -13.078 568 HH11 ARG 67 1HH1 ARG 67 2.962 -1.707 -12.408 569 HH12 ARG 67 2HH1 ARG 67 2.671 -2.326 -13.999 570 HH21 ARG 67 1HH2 ARG 67 1.093 0.570 -15.173 571 HH22 ARG 67 2HH2 ARG 67 1.611 -1.036 -15.566 572 H THR 68 H THR 68 1.492 3.570 -7.053 573 HA THR 68 HA THR 68 -0.360 5.817 -7.238 574 HB THR 68 HB THR 68 1.521 5.666 -4.959 575 HG1 THR 68 HG1 THR 68 1.026 3.727 -4.391 576 HG21 THR 68 3HG2 THR 68 -0.563 6.017 -3.669 577 HG22 THR 68 1HG2 THR 68 -1.447 6.058 -5.194 578 HG23 THR 68 2HG2 THR 68 -0.225 7.283 -4.850 579 H PHE 69 H PHE 69 0.217 7.827 -7.749 580 HA PHE 69 HA PHE 69 3.038 8.599 -7.707 581 HB2 PHE 69 1HB PHE 69 2.264 7.740 -10.022 582 HB3 PHE 69 2HB PHE 69 1.351 9.240 -10.115 583 HD1 PHE 69 HD1 PHE 69 4.811 8.234 -9.109 584 HD2 PHE 69 HD2 PHE 69 2.347 10.876 -11.360 585 HE1 PHE 69 HE1 PHE 69 6.815 9.398 -9.934 586 HE2 PHE 69 HE2 PHE 69 4.349 12.043 -12.187 587 HZ PHE 69 HZ PHE 69 6.587 11.303 -11.474 588 H THR 70 H THR 70 -0.236 9.761 -8.522 589 HA THR 70 HA THR 70 -0.012 11.905 -6.601 590 HB THR 70 HB THR 70 -0.801 13.506 -8.592 591 HG1 THR 70 HG1 THR 70 1.059 11.815 -9.896 592 HG21 THR 70 3HG2 THR 70 1.088 14.611 -8.235 593 HG22 THR 70 1HG2 THR 70 2.090 13.252 -8.745 594 HG23 THR 70 2HG2 THR 70 1.476 13.324 -7.092 595 H ASP 71 H ASP 71 -1.700 9.621 -6.848 596 HA ASP 71 HA ASP 71 -4.320 10.908 -7.270 597 HB2 ASP 71 1HB ASP 71 -3.285 8.678 -8.615 598 HB3 ASP 71 2HB ASP 71 -4.419 8.011 -7.446 599 HA PRO 72 HA PRO 72 -5.583 9.919 -3.159 600 HB2 PRO 72 1HB PRO 72 -7.942 8.452 -4.202 601 HB3 PRO 72 2HB PRO 72 -7.874 9.854 -3.129 602 HG2 PRO 72 1HG PRO 72 -8.642 10.108 -5.669 603 HG3 PRO 72 2HG PRO 72 -7.649 11.351 -4.883 604 HD2 PRO 72 1HD PRO 72 -6.837 9.215 -6.815 605 HD3 PRO 72 2HD PRO 72 -6.307 10.905 -6.718 606 HA PRO 73 HA PRO 73 -4.523 5.810 -1.934 607 HB2 PRO 73 1HB PRO 73 -6.361 5.173 -0.017 608 HB3 PRO 73 2HB PRO 73 -5.009 6.278 0.250 609 HG2 PRO 73 1HG PRO 73 -7.869 6.902 -0.374 610 HG3 PRO 73 2HG PRO 73 -6.788 7.672 0.802 611 HD2 PRO 73 1HD PRO 73 -7.309 8.788 -1.587 612 HD3 PRO 73 2HD PRO 73 -5.714 8.928 -0.819 613 H PHE 74 H PHE 74 -5.292 3.526 -1.721 614 HA PHE 74 HA PHE 74 -7.557 3.032 -3.538 615 HB2 PHE 74 1HB PHE 74 -4.872 1.724 -3.322 616 HB3 PHE 74 2HB PHE 74 -6.240 0.800 -3.930 617 HD1 PHE 74 HD1 PHE 74 -7.711 2.503 -5.621 618 HD2 PHE 74 HD2 PHE 74 -3.499 2.407 -5.020 619 HE1 PHE 74 HE1 PHE 74 -7.375 3.479 -7.853 620 HE2 PHE 74 HE2 PHE 74 -3.155 3.384 -7.251 621 HZ PHE 74 HZ PHE 74 -5.094 3.920 -8.672 622 H ARG 75 H ARG 75 -8.625 3.211 -1.285 623 HA ARG 75 HA ARG 75 -8.444 0.845 0.364 624 HB2 ARG 75 1HB ARG 75 -8.854 2.892 1.532 625 HB3 ARG 75 2HB ARG 75 -10.172 3.323 0.454 626 HG2 ARG 75 1HG ARG 75 -11.095 2.651 2.547 627 HG3 ARG 75 2HG ARG 75 -11.466 1.404 1.357 628 HD2 ARG 75 1HD ARG 75 -9.787 -0.037 2.221 629 HD3 ARG 75 2HD ARG 75 -9.110 1.246 3.223 630 HE ARG 75 HE ARG 75 -11.762 0.876 3.996 631 HH11 ARG 75 1HH1 ARG 75 -8.757 -0.924 4.030 632 HH12 ARG 75 2HH1 ARG 75 -9.179 -1.839 5.438 633 HH21 ARG 75 1HH2 ARG 75 -12.312 -0.334 5.850 634 HH22 ARG 75 2HH2 ARG 75 -11.197 -1.505 6.471 635 H ILE 76 H ILE 76 -9.072 -0.847 -0.993 636 HA ILE 76 HA ILE 76 -11.925 -0.848 -1.741 637 HB ILE 76 HB ILE 76 -9.790 -2.299 -3.297 638 HG12 ILE 76 1HG1 ILE 76 -10.797 -0.208 -4.875 639 HG13 ILE 76 2HG1 ILE 76 -10.446 0.524 -3.313 640 HG21 ILE 76 1HG2 ILE 76 -11.425 -2.978 -4.707 641 HG22 ILE 76 2HG2 ILE 76 -12.378 -1.511 -4.489 642 HG23 ILE 76 3HG2 ILE 76 -12.421 -2.780 -3.266 643 HD11 ILE 76 3HD1 ILE 76 -8.647 -0.374 -5.394 644 HD12 ILE 76 1HD1 ILE 76 -8.222 -1.022 -3.809 645 HD13 ILE 76 2HD1 ILE 76 -8.361 0.721 -4.041 646 H GLU 77 H GLU 77 -13.097 -2.536 -1.047 647 HA GLU 77 HA GLU 77 -11.727 -4.988 -0.211 648 HB2 GLU 77 1HB GLU 77 -13.249 -5.076 1.803 649 HB3 GLU 77 2HB GLU 77 -11.983 -3.860 1.864 650 HG2 GLU 77 1HG GLU 77 -13.598 -2.140 1.234 651 HG3 GLU 77 2HG GLU 77 -14.869 -3.359 1.166 652 H GLU 78 H GLU 78 -12.634 -6.707 -1.109 653 HA GLU 78 HA GLU 78 -15.509 -6.651 -1.715 654 HB2 GLU 78 1HB GLU 78 -13.308 -6.738 -3.599 655 HB3 GLU 78 2HB GLU 78 -14.335 -8.156 -3.762 656 HG2 GLU 78 1HG GLU 78 -15.586 -5.453 -3.624 657 HG3 GLU 78 2HG GLU 78 -14.831 -5.988 -5.124 658 H GLN 79 H GLN 79 -16.135 -8.979 -2.572 659 HA GLN 79 HA GLN 79 -14.858 -11.002 -0.857 660 HB2 GLN 79 1HB GLN 79 -17.061 -11.908 -0.297 661 HB3 GLN 79 2HB GLN 79 -16.923 -10.235 0.222 662 HG2 GLN 79 1HG GLN 79 -19.020 -10.242 -0.689 663 HG3 GLN 79 2HG GLN 79 -18.060 -9.726 -2.073 664 HE21 GLN 79 2HE2 GLN 79 -19.417 -12.619 -0.540 665 HE22 GLN 79 1HE2 GLN 79 -19.720 -13.467 -2.014 666 H GLY 80 H GLY 80 -16.007 -13.257 -1.484 667 HA2 GLY 80 1HA GLY 80 -17.003 -14.349 -3.519 668 HA3 GLY 80 2HA GLY 80 -15.805 -13.446 -4.430 669 H TRP 81 H TRP 81 -14.850 -15.284 -5.308 670 HA TRP 81 HA TRP 81 -13.392 -16.973 -3.383 671 HB2 TRP 81 1HB TRP 81 -15.196 -17.734 -5.436 672 HB3 TRP 81 2HB TRP 81 -13.589 -18.233 -5.953 673 HD1 TRP 81 HD1 TRP 81 -15.862 -18.611 -2.830 674 HE1 TRP 81 HE1 TRP 81 -15.394 -20.914 -1.788 675 HE3 TRP 81 HE3 TRP 81 -12.107 -20.162 -5.934 676 HZ2 TRP 81 HZ2 TRP 81 -13.662 -23.102 -2.219 677 HZ3 TRP 81 HZ3 TRP 81 -11.100 -22.374 -5.552 678 HH2 TRP 81 HH2 TRP 81 -11.863 -23.811 -3.730 679 H GLY 82 H GLY 82 -11.337 -16.345 -3.332 680 HA2 GLY 82 1HA GLY 82 -9.789 -16.300 -5.783 681 HA3 GLY 82 2HA GLY 82 -9.892 -14.756 -4.948 682 H GLY 83 H GLY 83 -8.235 -14.339 -3.629 683 HA2 GLY 83 1HA GLY 83 -6.848 -14.774 -1.771 684 HA3 GLY 83 2HA GLY 83 -7.151 -16.490 -1.973 685 H PHE 84 H PHE 84 -4.880 -14.097 -2.297 686 HA PHE 84 HA PHE 84 -2.984 -15.842 -3.536 687 HB2 PHE 84 1HB PHE 84 -4.324 -13.743 -5.145 688 HB3 PHE 84 2HB PHE 84 -2.577 -13.835 -5.311 689 HD1 PHE 84 HD1 PHE 84 -2.014 -16.677 -5.217 690 HD2 PHE 84 HD2 PHE 84 -5.265 -14.623 -7.043 691 HE1 PHE 84 HE1 PHE 84 -2.274 -18.520 -6.823 692 HE2 PHE 84 HE2 PHE 84 -5.529 -16.463 -8.651 693 HZ PHE 84 HZ PHE 84 -4.033 -18.417 -8.543 694 HA PRO 85 HA PRO 85 -0.015 -13.326 -1.440 695 HB2 PRO 85 1HB PRO 85 1.980 -12.942 -3.263 696 HB3 PRO 85 2HB PRO 85 1.704 -14.462 -2.415 697 HG2 PRO 85 1HG PRO 85 0.872 -13.660 -5.172 698 HG3 PRO 85 2HG PRO 85 1.565 -15.196 -4.614 699 HD2 PRO 85 1HD PRO 85 -1.068 -14.906 -5.069 700 HD3 PRO 85 2HD PRO 85 -0.452 -15.942 -3.766 701 H LEU 86 H LEU 86 1.516 -11.311 -1.790 702 HA LEU 86 HA LEU 86 0.301 -9.264 -3.472 703 HB2 LEU 86 1HB LEU 86 0.566 -9.000 -0.473 704 HB3 LEU 86 2HB LEU 86 0.157 -7.687 -1.561 705 HG LEU 86 HG LEU 86 -1.814 -9.327 -2.241 706 HD11 LEU 86 1HD1 LEU 86 -2.410 -10.925 -0.772 707 HD12 LEU 86 2HD1 LEU 86 -1.843 -10.009 0.624 708 HD13 LEU 86 3HD1 LEU 86 -0.694 -10.903 -0.371 709 HD21 LEU 86 3HD2 LEU 86 -1.903 -7.013 -1.234 710 HD22 LEU 86 1HD2 LEU 86 -1.961 -7.797 0.345 711 HD23 LEU 86 2HD2 LEU 86 -3.246 -8.082 -0.829 712 H ASP 87 H ASP 87 1.584 -7.201 -3.373 713 HA ASP 87 HA ASP 87 4.287 -7.354 -2.399 714 HB2 ASP 87 1HB ASP 87 4.295 -8.662 -4.575 715 HB3 ASP 87 2HB ASP 87 3.914 -7.148 -5.390 716 H ILE 88 H ILE 88 4.813 -5.371 -1.758 717 HA ILE 88 HA ILE 88 3.701 -3.072 -3.226 718 HB ILE 88 HB ILE 88 4.021 -3.167 -0.226 719 HG12 ILE 88 1HG1 ILE 88 1.444 -3.331 -1.797 720 HG13 ILE 88 2HG1 ILE 88 2.258 -4.734 -1.118 721 HG21 ILE 88 1HG2 ILE 88 2.232 -1.220 -1.533 722 HG22 ILE 88 2HG2 ILE 88 3.959 -0.985 -1.803 723 HG23 ILE 88 3HG2 ILE 88 3.323 -1.022 -0.160 724 HD11 ILE 88 3HD1 ILE 88 1.950 -2.784 0.925 725 HD12 ILE 88 1HD1 ILE 88 1.251 -4.399 0.812 726 HD13 ILE 88 2HD1 ILE 88 0.402 -3.021 0.116 727 H SER 89 H SER 89 5.345 -2.043 -4.142 728 HA SER 89 HA SER 89 7.832 -1.713 -2.592 729 HB2 SER 89 1HB SER 89 8.497 -1.332 -5.284 730 HB3 SER 89 2HB SER 89 8.897 -2.727 -4.286 731 HG SER 89 HG SER 89 7.102 -3.782 -5.056 732 H VAL 90 H VAL 90 8.093 0.301 -1.941 733 HA VAL 90 HA VAL 90 6.906 2.475 -3.521 734 HB VAL 90 HB VAL 90 6.413 2.057 -0.980 735 HG11 VAL 90 1HG1 VAL 90 7.857 3.422 0.491 736 HG12 VAL 90 2HG1 VAL 90 9.001 3.586 -0.841 737 HG13 VAL 90 3HG1 VAL 90 8.659 1.996 -0.161 738 HG21 VAL 90 3HG2 VAL 90 6.297 4.619 -0.692 739 HG22 VAL 90 1HG2 VAL 90 5.358 3.863 -1.978 740 HG23 VAL 90 2HG2 VAL 90 6.880 4.672 -2.357 741 H PHE 91 H PHE 91 8.094 4.242 -4.173 742 HA PHE 91 HA PHE 91 10.986 4.220 -3.653 743 HB2 PHE 91 1HB PHE 91 9.595 4.253 -6.308 744 HB3 PHE 91 2HB PHE 91 11.143 5.066 -6.126 745 HD1 PHE 91 HD1 PHE 91 12.973 3.573 -4.888 746 HD2 PHE 91 HD2 PHE 91 9.623 2.081 -7.045 747 HE1 PHE 91 HE1 PHE 91 14.144 1.435 -5.217 748 HE2 PHE 91 HE2 PHE 91 10.787 -0.060 -7.379 749 HZ PHE 91 HZ PHE 91 13.051 -0.386 -6.464 750 H LEU 92 H LEU 92 12.027 6.298 -3.941 751 HA LEU 92 HA LEU 92 10.236 8.600 -4.114 752 HB2 LEU 92 1HB LEU 92 10.332 8.127 -1.753 753 HB3 LEU 92 2HB LEU 92 12.084 8.056 -1.800 754 HG LEU 92 HG LEU 92 11.728 10.559 -2.719 755 HD11 LEU 92 1HD1 LEU 92 9.613 10.462 -0.631 756 HD12 LEU 92 2HD1 LEU 92 9.189 10.077 -2.299 757 HD13 LEU 92 3HD1 LEU 92 9.889 11.648 -1.906 758 HD21 LEU 92 3HD2 LEU 92 12.256 11.322 -0.487 759 HD22 LEU 92 1HD2 LEU 92 13.142 9.840 -0.844 760 HD23 LEU 92 2HD2 LEU 92 11.716 9.786 0.194 761 H LEU 93 H LEU 93 13.670 7.925 -3.319 762 HA LEU 93 HA LEU 93 14.435 9.480 -5.666 763 HB2 LEU 93 1HB LEU 93 14.280 10.821 -3.374 764 HB3 LEU 93 2HB LEU 93 15.871 10.127 -3.138 765 HG LEU 93 HG LEU 93 15.336 11.510 -5.717 766 HD11 LEU 93 1HD1 LEU 93 14.529 12.836 -3.548 767 HD12 LEU 93 2HD1 LEU 93 15.309 13.626 -4.917 768 HD13 LEU 93 3HD1 LEU 93 16.250 13.216 -3.481 769 HD21 LEU 93 3HD2 LEU 93 17.657 12.043 -5.584 770 HD22 LEU 93 1HD2 LEU 93 17.474 10.338 -5.166 771 HD23 LEU 93 2HD2 LEU 93 17.735 11.534 -3.896 772 H GLU 94 H GLU 94 16.110 8.186 -2.770 773 HA GLU 94 HA GLU 94 17.477 6.234 -4.445 774 HB2 GLU 94 1HB GLU 94 18.836 8.504 -3.027 775 HB3 GLU 94 2HB GLU 94 19.679 6.983 -3.278 776 HG2 GLU 94 1HG GLU 94 19.440 7.185 -5.662 777 HG3 GLU 94 2HG GLU 94 18.451 8.633 -5.474 778 H LYS 95 H LYS 95 17.770 7.606 -1.144 779 HA LYS 95 HA LYS 95 17.063 5.000 -0.029 780 HB2 LYS 95 1HB LYS 95 19.623 6.428 0.715 781 HB3 LYS 95 2HB LYS 95 19.014 4.953 1.452 782 HG2 LYS 95 1HG LYS 95 20.395 3.946 0.008 783 HG3 LYS 95 2HG LYS 95 19.097 4.221 -1.154 784 HD2 LYS 95 1HD LYS 95 20.297 6.542 -1.456 785 HD3 LYS 95 2HD LYS 95 21.687 5.665 -0.813 786 HE2 LYS 95 1HE LYS 95 20.052 4.658 -3.130 787 HE3 LYS 95 2HE LYS 95 21.446 5.717 -3.338 788 HZ1 LYS 95 3HZ LYS 95 22.198 3.505 -3.598 789 HZ2 LYS 95 1HZ LYS 95 21.412 2.981 -2.194 790 HZ3 LYS 95 2HZ LYS 95 22.749 4.011 -2.081 791 H ALA 96 H ALA 96 15.374 7.057 0.062 792 HA ALA 96 HA ALA 96 15.722 8.333 2.688 793 HB1 ALA 96 3HB ALA 96 14.745 9.297 0.204 794 HB2 ALA 96 1HB ALA 96 14.936 10.166 1.727 795 HB3 ALA 96 2HB ALA 96 13.423 9.334 1.371 796 H GLY 97 H GLY 97 13.517 6.313 0.802 797 HA2 GLY 97 1HA GLY 97 12.500 4.976 3.055 798 HA3 GLY 97 2HA GLY 97 11.374 6.248 2.610 799 H GLU 98 H GLU 98 13.371 4.110 0.575 800 HA GLU 98 HA GLU 98 10.888 3.236 -0.736 801 HB2 GLU 98 1HB GLU 98 12.270 2.785 -2.736 802 HB3 GLU 98 2HB GLU 98 12.293 4.475 -2.261 803 HG2 GLU 98 1HG GLU 98 14.487 4.051 -1.149 804 HG3 GLU 98 2HG GLU 98 14.461 2.433 -1.852 805 H ARG 99 H ARG 99 10.288 1.300 -0.078 806 HA ARG 99 HA ARG 99 12.256 -0.864 -0.025 807 HB2 ARG 99 1HB ARG 99 11.759 0.198 2.317 808 HB3 ARG 99 2HB ARG 99 10.251 -0.698 2.197 809 HG2 ARG 99 1HG ARG 99 11.877 -2.694 1.632 810 HG3 ARG 99 2HG ARG 99 13.032 -1.691 2.512 811 HD2 ARG 99 1HD ARG 99 11.857 -1.846 4.494 812 HD3 ARG 99 2HD ARG 99 10.333 -2.216 3.685 813 HE ARG 99 HE ARG 99 11.909 -4.361 3.124 814 HH11 ARG 99 1HH1 ARG 99 10.942 -2.783 6.100 815 HH12 ARG 99 2HH1 ARG 99 11.037 -4.230 7.043 816 HH21 ARG 99 1HH2 ARG 99 12.027 -6.266 4.373 817 HH22 ARG 99 2HH2 ARG 99 11.653 -6.209 6.063 818 H LYS 100 H LYS 100 11.377 -2.958 -0.290 819 HA LYS 100 HA LYS 100 8.599 -2.995 -1.270 820 HB2 LYS 100 1HB LYS 100 9.232 -4.722 -2.855 821 HB3 LYS 100 2HB LYS 100 10.244 -3.303 -3.081 822 HG2 LYS 100 1HG LYS 100 11.805 -4.690 -1.399 823 HG3 LYS 100 2HG LYS 100 10.955 -6.023 -2.183 824 HD2 LYS 100 1HD LYS 100 12.282 -3.811 -3.733 825 HD3 LYS 100 2HD LYS 100 13.139 -5.274 -3.246 826 HE2 LYS 100 1HE LYS 100 12.431 -6.005 -5.266 827 HE3 LYS 100 2HE LYS 100 10.974 -6.391 -4.355 828 HZ1 LYS 100 3HZ LYS 100 10.025 -5.212 -6.014 829 HZ2 LYS 100 1HZ LYS 100 11.422 -4.321 -6.354 830 HZ3 LYS 100 2HZ LYS 100 10.438 -3.889 -5.049 831 H ILE 101 H ILE 101 7.233 -4.344 -0.262 832 HA ILE 101 HA ILE 101 8.327 -6.646 1.180 833 HB ILE 101 HB ILE 101 8.132 -4.868 2.841 834 HG12 ILE 101 1HG1 ILE 101 5.837 -6.614 3.559 835 HG13 ILE 101 2HG1 ILE 101 7.344 -7.420 3.140 836 HG21 ILE 101 1HG2 ILE 101 5.923 -4.052 1.449 837 HG22 ILE 101 2HG2 ILE 101 6.395 -3.476 3.046 838 HG23 ILE 101 3HG2 ILE 101 5.214 -4.775 2.892 839 HD11 ILE 101 3HD1 ILE 101 8.384 -5.750 4.841 840 HD12 ILE 101 1HD1 ILE 101 7.545 -7.192 5.409 841 HD13 ILE 101 2HD1 ILE 101 6.729 -5.629 5.436 842 HA PRO 102 HA PRO 102 4.698 -8.379 -0.772 843 HB2 PRO 102 1HB PRO 102 5.427 -10.937 -0.626 844 HB3 PRO 102 2HB PRO 102 6.266 -9.812 -1.703 845 HG2 PRO 102 1HG PRO 102 7.111 -10.882 0.953 846 HG3 PRO 102 2HG PRO 102 8.088 -10.559 -0.490 847 HD2 PRO 102 1HD PRO 102 7.847 -8.874 1.726 848 HD3 PRO 102 2HD PRO 102 8.460 -8.406 0.129 849 H HIS 103 H HIS 103 2.933 -9.767 -0.167 850 HA HIS 103 HA HIS 103 2.796 -10.625 2.624 851 HB2 HIS 103 1HB HIS 103 0.663 -8.840 1.429 852 HB3 HIS 103 2HB HIS 103 0.747 -9.434 3.083 853 HD1 HIS 103 HD1 HIS 103 1.920 -6.725 0.878 854 HD2 HIS 103 HD2 HIS 103 2.780 -8.172 4.674 855 HE1 HIS 103 HE1 HIS 103 3.254 -4.916 1.997 856 HE2 HIS 103 HE2 HIS 103 3.908 -5.892 4.226 857 H ASP 104 H ASP 104 0.584 -11.732 3.024 858 HA ASP 104 HA ASP 104 -0.201 -13.227 0.609 859 HB2 ASP 104 1HB ASP 104 -0.553 -15.214 2.112 860 HB3 ASP 104 2HB ASP 104 1.124 -14.749 1.891 861 H LEU 105 H LEU 105 -2.341 -13.794 0.392 862 HA LEU 105 HA LEU 105 -4.208 -12.911 2.462 863 HB2 LEU 105 1HB LEU 105 -3.984 -11.056 0.864 864 HB3 LEU 105 2HB LEU 105 -4.413 -12.134 -0.448 865 HG LEU 105 HG LEU 105 -6.586 -12.484 1.060 866 HD11 LEU 105 1HD1 LEU 105 -5.774 -9.646 1.668 867 HD12 LEU 105 2HD1 LEU 105 -5.736 -10.976 2.826 868 HD13 LEU 105 3HD1 LEU 105 -7.272 -10.448 2.138 869 HD21 LEU 105 3HD2 LEU 105 -5.896 -10.442 -1.001 870 HD22 LEU 105 1HD2 LEU 105 -7.499 -10.429 -0.268 871 HD23 LEU 105 2HD2 LEU 105 -6.933 -11.862 -1.124 872 H ASN 106 H ASN 106 -4.306 -15.230 2.784 873 HA ASN 106 HA ASN 106 -6.466 -16.404 1.304 874 HB2 ASN 106 1HB ASN 106 -4.413 -16.851 -0.109 875 HB3 ASN 106 2HB ASN 106 -3.828 -17.866 1.203 876 HD21 ASN 106 2HD2 ASN 106 -7.037 -17.439 -0.274 877 HD22 ASN 106 1HD2 ASN 106 -7.253 -19.107 -0.668 878 H PHE 107 H PHE 107 -6.105 -15.693 4.012 879 HA PHE 107 HA PHE 107 -6.479 -18.314 5.255 880 HB2 PHE 107 1HB PHE 107 -4.692 -16.142 6.373 881 HB3 PHE 107 2HB PHE 107 -5.128 -17.629 7.208 882 HD1 PHE 107 HD2 PHE 107 -4.328 -19.812 6.321 883 HD2 PHE 107 HD1 PHE 107 -2.962 -16.094 4.765 884 HE1 PHE 107 HE2 PHE 107 -2.403 -20.952 5.299 885 HE2 PHE 107 HE1 PHE 107 -1.034 -17.227 3.737 886 HZ PHE 107 HZ PHE 107 -0.752 -19.660 4.005 887 H LEU 108 H LEU 108 -8.211 -18.382 6.545 888 HA LEU 108 HA LEU 108 -10.006 -16.245 6.748 889 HB2 LEU 108 1HB LEU 108 -11.311 -17.641 8.175 890 HB3 LEU 108 2HB LEU 108 -10.586 -18.664 6.950 891 HG LEU 108 HG LEU 108 -8.751 -18.858 8.968 892 HD11 LEU 108 1HD1 LEU 108 -9.615 -18.607 11.012 893 HD12 LEU 108 2HD1 LEU 108 -11.151 -19.342 10.555 894 HD13 LEU 108 3HD1 LEU 108 -10.855 -17.636 10.220 895 HD21 LEU 108 3HD2 LEU 108 -10.187 -20.557 7.510 896 HD22 LEU 108 1HD2 LEU 108 -11.041 -20.739 9.044 897 HD23 LEU 108 2HD2 LEU 108 -9.308 -21.059 8.956 898 H GLN 109 H GLN 109 -10.228 -14.616 8.149 899 HA GLN 109 HA GLN 109 -9.899 -13.211 9.902 900 HB2 GLN 109 1HB GLN 109 -10.159 -15.564 11.120 901 HB3 GLN 109 2HB GLN 109 -8.472 -15.275 11.516 902 HG2 GLN 109 1HG GLN 109 -9.463 -12.909 12.224 903 HG3 GLN 109 2HG GLN 109 -10.912 -13.889 12.447 904 HE21 GLN 109 2HE2 GLN 109 -7.428 -14.284 13.076 905 HE22 GLN 109 1HE2 GLN 109 -7.616 -14.822 14.707 906 H GLU 110 H GLU 110 -8.272 -12.578 8.095 907 HA GLU 110 HA GLU 110 -5.512 -12.724 9.075 908 HB2 GLU 110 1HB GLU 110 -5.953 -13.406 6.715 909 HB3 GLU 110 2HB GLU 110 -6.501 -11.768 6.386 910 HG2 GLU 110 1HG GLU 110 -4.380 -11.457 5.726 911 HG3 GLU 110 2HG GLU 110 -4.071 -11.254 7.453 912 H SER 111 H SER 111 -4.455 -10.981 9.752 913 HA SER 111 HA SER 111 -5.645 -8.327 9.364 914 HB2 SER 111 1HB SER 111 -6.152 -9.384 11.664 915 HB3 SER 111 2HB SER 111 -4.442 -9.129 12.008 916 HG SER 111 HG SER 111 -4.755 -6.912 11.653 917 H TYR 112 H TYR 112 -3.923 -8.451 7.685 918 HA TYR 112 HA TYR 112 -1.231 -8.014 8.777 919 HB2 TYR 112 1HB TYR 112 -2.280 -9.063 6.207 920 HB3 TYR 112 2HB TYR 112 -0.814 -8.095 6.115 921 HD1 TYR 112 HD1 TYR 112 -1.813 -10.428 8.843 922 HD2 TYR 112 HD2 TYR 112 0.800 -9.689 5.566 923 HE1 TYR 112 HE1 TYR 112 -0.477 -12.394 9.470 924 HE2 TYR 112 HE2 TYR 112 2.139 -11.651 6.184 925 HH TYR 112 HH TYR 112 2.591 -13.004 8.244 926 H GLU 113 H GLU 113 -0.575 -6.010 9.003 927 HA GLU 113 HA GLU 113 -1.313 -3.989 7.017 928 HB2 GLU 113 1HB GLU 113 -2.876 -3.979 9.074 929 HB3 GLU 113 2HB GLU 113 -1.499 -3.323 9.940 930 HG2 GLU 113 1HG GLU 113 -1.521 -1.650 7.856 931 HG3 GLU 113 2HG GLU 113 -3.230 -2.077 7.901 932 H VAL 114 H VAL 114 0.212 -2.419 6.680 933 HA VAL 114 HA VAL 114 2.637 -2.514 8.351 934 HB VAL 114 HB VAL 114 2.637 -2.138 5.353 935 HG11 VAL 114 1HG1 VAL 114 4.492 -1.027 6.416 936 HG12 VAL 114 2HG1 VAL 114 5.081 -2.479 5.605 937 HG13 VAL 114 3HG1 VAL 114 4.868 -2.473 7.356 938 HG21 VAL 114 3HG2 VAL 114 3.903 -4.426 5.578 939 HG22 VAL 114 1HG2 VAL 114 2.146 -4.371 5.476 940 HG23 VAL 114 2HG2 VAL 114 2.931 -4.572 7.041 941 H GLU 115 H GLU 115 3.703 -0.586 8.696 942 HA GLU 115 HA GLU 115 2.632 1.841 7.471 943 HB2 GLU 115 1HB GLU 115 2.999 1.573 10.460 944 HB3 GLU 115 2HB GLU 115 2.386 2.974 9.593 945 HG2 GLU 115 1HG GLU 115 0.517 1.409 8.791 946 HG3 GLU 115 2HG GLU 115 1.053 0.339 10.085 947 H HIS 116 H HIS 116 4.378 2.616 6.485 948 HA HIS 116 HA HIS 116 6.935 2.647 7.956 949 HB2 HIS 116 1HB HIS 116 6.299 1.807 5.292 950 HB3 HIS 116 2HB HIS 116 7.380 3.194 5.205 951 HD1 HIS 116 HD1 HIS 116 9.464 1.947 4.500 952 HD2 HIS 116 HD2 HIS 116 7.746 0.408 7.957 953 HE1 HIS 116 HE1 HIS 116 11.137 0.307 5.409 954 HE2 HIS 116 HE2 HIS 116 10.139 -0.494 7.580 955 H VAL 117 H VAL 117 8.037 4.528 8.208 956 HA VAL 117 HA VAL 117 6.647 6.984 7.380 957 HB VAL 117 HB VAL 117 7.990 8.117 9.137 958 HG11 VAL 117 1HG1 VAL 117 6.663 7.386 10.967 959 HG12 VAL 117 2HG1 VAL 117 6.457 5.782 10.259 960 HG13 VAL 117 3HG1 VAL 117 5.689 7.183 9.511 961 HG21 VAL 117 3HG2 VAL 117 9.521 7.081 10.463 962 HG22 VAL 117 1HG2 VAL 117 9.698 6.067 9.032 963 HG23 VAL 117 2HG2 VAL 117 8.702 5.522 10.383 964 H ILE 118 H ILE 118 7.666 8.592 6.262 965 HA ILE 118 HA ILE 118 10.495 8.240 5.562 966 HB ILE 118 HB ILE 118 8.454 8.961 3.465 967 HG12 ILE 118 1HG1 ILE 118 9.730 6.240 3.696 968 HG13 ILE 118 2HG1 ILE 118 8.183 6.596 4.458 969 HG21 ILE 118 1HG2 ILE 118 11.333 8.082 3.324 970 HG22 ILE 118 2HG2 ILE 118 10.698 9.694 2.990 971 HG23 ILE 118 3HG2 ILE 118 10.289 8.348 1.927 972 HD11 ILE 118 3HD1 ILE 118 7.496 7.398 2.093 973 HD12 ILE 118 1HD1 ILE 118 7.548 5.674 2.453 974 HD13 ILE 118 2HD1 ILE 118 8.870 6.429 1.564 975 H GLN 119 H GLN 119 11.433 10.055 6.296 976 HA GLN 119 HA GLN 119 10.020 12.612 5.891 977 HB2 GLN 119 1HB GLN 119 12.041 11.856 8.007 978 HB3 GLN 119 2HB GLN 119 11.392 13.474 7.782 979 HG2 GLN 119 1HG GLN 119 9.620 12.991 9.010 980 HG3 GLN 119 2HG GLN 119 9.241 11.599 7.998 981 HE21 GLN 119 2HE2 GLN 119 11.516 12.580 10.544 982 HE22 GLN 119 1HE2 GLN 119 11.490 11.069 11.383 983 H ILE 120 H ILE 120 10.863 13.860 4.356 984 HA ILE 120 HA ILE 120 13.772 13.719 3.889 985 HB ILE 120 HB ILE 120 11.799 14.290 1.689 986 HG12 ILE 120 1HG1 ILE 120 12.865 11.707 1.317 987 HG13 ILE 120 2HG1 ILE 120 12.307 11.759 2.986 988 HG21 ILE 120 1HG2 ILE 120 14.561 13.158 1.420 989 HG22 ILE 120 2HG2 ILE 120 14.295 14.891 1.584 990 HG23 ILE 120 3HG2 ILE 120 13.590 14.017 0.226 991 HD11 ILE 120 3HD1 ILE 120 10.099 12.455 2.231 992 HD12 ILE 120 1HD1 ILE 120 10.582 10.931 1.487 993 HD13 ILE 120 2HD1 ILE 120 10.660 12.429 0.560 994 HA PRO 121 HA PRO 121 12.274 18.158 4.499 995 HB2 PRO 121 1HB PRO 121 13.229 18.672 6.960 996 HB3 PRO 121 2HB PRO 121 11.649 17.926 6.704 997 HG2 PRO 121 1HG PRO 121 14.242 16.652 7.468 998 HG3 PRO 121 2HG PRO 121 12.609 16.321 8.072 999 HD2 PRO 121 1HD PRO 121 13.883 14.795 6.176 1000 HD3 PRO 121 2HD PRO 121 12.121 14.917 6.338 1001 H LEU 122 H LEU 122 15.323 16.737 5.718 1002 HA LEU 122 HA LEU 122 17.496 17.211 5.303 1003 HB2 LEU 122 1HB LEU 122 16.305 17.712 2.917 1004 HB3 LEU 122 2HB LEU 122 17.002 19.283 3.263 1005 HG LEU 122 HG LEU 122 18.483 17.920 1.871 1006 HD11 LEU 122 1HD1 LEU 122 20.500 17.978 3.450 1007 HD12 LEU 122 2HD1 LEU 122 19.375 18.627 4.643 1008 HD13 LEU 122 3HD1 LEU 122 19.653 19.490 3.130 1009 HD21 LEU 122 3HD2 LEU 122 17.695 15.734 2.868 1010 HD22 LEU 122 1HD2 LEU 122 18.788 16.059 4.214 1011 HD23 LEU 122 2HD2 LEU 122 19.429 15.878 2.581 1012 H ASN 123 H ASN 123 15.892 20.356 4.663 1013 HA ASN 123 HA ASN 123 17.223 21.450 7.036 1014 HB2 ASN 123 1HB ASN 123 18.554 21.911 4.914 1015 HB3 ASN 123 2HB ASN 123 17.208 22.920 4.393 1016 HD21 ASN 123 2HD2 ASN 123 18.879 22.470 7.498 1017 HD22 ASN 123 1HD2 ASN 123 19.234 24.143 7.737 Start of MODEL 13 1 H1 MET 1 1H MET 1 8.550 30.495 2.947 2 H2 MET 1 2H MET 1 7.022 30.790 3.668 3 H3 MET 1 3H MET 1 7.191 30.845 1.962 4 HA MET 1 HA MET 1 6.133 28.820 2.873 5 HB2 MET 1 1HB MET 1 8.593 28.849 1.147 6 HB3 MET 1 2HB MET 1 7.760 27.337 1.470 7 HG2 MET 1 1HG MET 1 5.819 28.039 0.361 8 HG3 MET 1 2HG MET 1 6.318 29.728 0.374 9 HE1 MET 1 3HE MET 1 6.288 28.758 -3.449 10 HE2 MET 1 1HE MET 1 5.659 29.870 -2.234 11 HE3 MET 1 2HE MET 1 5.197 28.169 -2.197 12 H VAL 2 H VAL 2 6.498 26.745 3.835 13 HA VAL 2 HA VAL 2 8.362 26.873 6.050 14 HB VAL 2 HB VAL 2 7.341 24.669 6.713 15 HG11 VAL 2 1HG1 VAL 2 5.250 26.791 6.328 16 HG12 VAL 2 2HG1 VAL 2 6.592 26.986 7.456 17 HG13 VAL 2 3HG1 VAL 2 5.445 25.664 7.672 18 HG21 VAL 2 3HG2 VAL 2 6.618 24.086 4.369 19 HG22 VAL 2 1HG2 VAL 2 5.314 25.257 4.563 20 HG23 VAL 2 2HG2 VAL 2 5.398 23.847 5.617 21 H ALA 3 H ALA 3 7.957 25.006 3.082 22 HA ALA 3 HA ALA 3 9.303 23.542 1.987 23 HB1 ALA 3 3HB ALA 3 10.929 25.165 1.737 24 HB2 ALA 3 1HB ALA 3 11.827 23.865 2.521 25 HB3 ALA 3 2HB ALA 3 11.265 25.243 3.467 26 H THR 4 H THR 4 8.356 21.709 3.038 27 HA THR 4 HA THR 4 10.294 20.227 4.621 28 HB THR 4 HB THR 4 9.048 21.231 6.394 29 HG1 THR 4 HG1 THR 4 8.424 19.434 7.413 30 HG21 THR 4 3HG2 THR 4 6.795 21.519 6.544 31 HG22 THR 4 1HG2 THR 4 6.436 20.148 5.495 32 HG23 THR 4 2HG2 THR 4 7.009 21.664 4.801 33 H VAL 5 H VAL 5 9.861 17.939 4.700 34 HA VAL 5 HA VAL 5 7.892 17.030 2.715 35 HB VAL 5 HB VAL 5 10.636 15.810 3.027 36 HG11 VAL 5 1HG1 VAL 5 10.103 14.434 1.245 37 HG12 VAL 5 2HG1 VAL 5 8.800 15.482 0.689 38 HG13 VAL 5 3HG1 VAL 5 8.586 14.502 2.139 39 HG21 VAL 5 3HG2 VAL 5 9.670 18.006 1.253 40 HG22 VAL 5 1HG2 VAL 5 10.851 16.856 0.629 41 HG23 VAL 5 2HG2 VAL 5 11.225 17.812 2.062 42 H LYS 6 H LYS 6 6.477 15.705 3.611 43 HA LYS 6 HA LYS 6 7.381 13.775 5.623 44 HB2 LYS 6 1HB LYS 6 4.814 15.340 5.925 45 HB3 LYS 6 2HB LYS 6 5.535 14.233 7.083 46 HG2 LYS 6 1HG LYS 6 7.481 15.836 7.222 47 HG3 LYS 6 2HG LYS 6 6.496 16.971 6.297 48 HD2 LYS 6 1HD LYS 6 5.822 17.655 8.338 49 HD3 LYS 6 2HD LYS 6 4.744 16.260 8.231 50 HE2 LYS 6 1HE LYS 6 6.797 14.987 9.248 51 HE3 LYS 6 2HE LYS 6 7.274 16.598 9.781 52 HZ1 LYS 6 3HZ LYS 6 5.551 16.728 11.232 53 HZ2 LYS 6 1HZ LYS 6 5.737 15.047 11.232 54 HZ3 LYS 6 2HZ LYS 6 4.519 15.764 10.302 55 H ARG 7 H ARG 7 7.096 11.923 4.532 56 HA ARG 7 HA ARG 7 4.446 11.425 3.336 57 HB2 ARG 7 1HB ARG 7 7.019 10.226 2.311 58 HB3 ARG 7 2HB ARG 7 5.436 10.200 1.546 59 HG2 ARG 7 1HG ARG 7 5.576 12.632 1.213 60 HG3 ARG 7 2HG ARG 7 7.185 12.623 1.936 61 HD2 ARG 7 1HD ARG 7 7.281 10.653 -0.029 62 HD3 ARG 7 2HD ARG 7 6.361 11.967 -0.759 63 HE ARG 7 HE ARG 7 8.818 12.752 0.548 64 HH11 ARG 7 1HH1 ARG 7 7.298 11.804 -2.459 65 HH12 ARG 7 2HH1 ARG 7 8.525 12.514 -3.448 66 HH21 ARG 7 1HH2 ARG 7 10.434 13.688 -0.761 67 HH22 ARG 7 2HH2 ARG 7 10.305 13.584 -2.484 68 H THR 8 H THR 8 3.950 9.053 3.138 69 HA THR 8 HA THR 8 5.311 7.127 4.693 70 HB THR 8 HB THR 8 4.605 8.241 6.656 71 HG1 THR 8 HG1 THR 8 3.458 6.678 7.596 72 HG21 THR 8 3HG2 THR 8 1.898 8.437 6.792 73 HG22 THR 8 1HG2 THR 8 2.208 8.897 5.118 74 HG23 THR 8 2HG2 THR 8 2.995 9.769 6.434 75 H ILE 9 H ILE 9 4.562 5.090 4.278 76 HA ILE 9 HA ILE 9 2.144 4.910 2.606 77 HB ILE 9 HB ILE 9 4.212 4.244 1.444 78 HG12 ILE 9 1HG1 ILE 9 3.280 1.637 1.292 79 HG13 ILE 9 2HG1 ILE 9 1.875 2.538 1.851 80 HG21 ILE 9 1HG2 ILE 9 5.765 2.869 2.279 81 HG22 ILE 9 2HG2 ILE 9 4.567 1.730 2.890 82 HG23 ILE 9 3HG2 ILE 9 4.983 3.160 3.831 83 HD11 ILE 9 3HD1 ILE 9 3.112 3.978 -0.273 84 HD12 ILE 9 1HD1 ILE 9 1.501 3.264 -0.197 85 HD13 ILE 9 2HD1 ILE 9 2.867 2.303 -0.766 86 H ARG 10 H ARG 10 0.442 4.048 3.567 87 HA ARG 10 HA ARG 10 0.868 1.990 5.632 88 HB2 ARG 10 1HB ARG 10 -1.042 4.317 5.605 89 HB3 ARG 10 2HB ARG 10 -1.319 2.909 6.621 90 HG2 ARG 10 1HG ARG 10 1.248 3.495 7.255 91 HG3 ARG 10 2HG ARG 10 0.608 5.104 6.910 92 HD2 ARG 10 1HD ARG 10 -1.366 4.357 8.425 93 HD3 ARG 10 2HD ARG 10 -0.234 3.140 9.006 94 HE ARG 10 HE ARG 10 0.908 4.776 10.125 95 HH11 ARG 10 1HH1 ARG 10 -1.266 6.292 7.831 96 HH12 ARG 10 2HH1 ARG 10 -1.002 7.886 8.446 97 HH21 ARG 10 1HH2 ARG 10 1.257 6.884 10.927 98 HH22 ARG 10 2HH2 ARG 10 0.431 8.225 10.203 99 H ILE 11 H ILE 11 0.328 0.138 4.647 100 HA ILE 11 HA ILE 11 -2.176 0.069 3.092 101 HB ILE 11 HB ILE 11 -1.258 -2.023 2.057 102 HG12 ILE 11 1HG1 ILE 11 1.511 -1.244 2.726 103 HG13 ILE 11 2HG1 ILE 11 0.602 -1.952 4.055 104 HG21 ILE 11 1HG2 ILE 11 -0.252 -0.855 0.362 105 HG22 ILE 11 2HG2 ILE 11 0.650 0.185 1.464 106 HG23 ILE 11 3HG2 ILE 11 -1.074 0.452 1.213 107 HD11 ILE 11 3HD1 ILE 11 1.209 -3.188 1.388 108 HD12 ILE 11 1HD1 ILE 11 0.075 -3.878 2.550 109 HD13 ILE 11 2HD1 ILE 11 1.778 -3.700 2.976 110 H LYS 12 H LYS 12 -3.792 -1.271 3.699 111 HA LYS 12 HA LYS 12 -3.272 -3.067 5.977 112 HB2 LYS 12 1HB LYS 12 -5.125 -0.917 5.716 113 HB3 LYS 12 2HB LYS 12 -6.042 -2.413 5.814 114 HG2 LYS 12 1HG LYS 12 -5.832 -2.266 8.014 115 HG3 LYS 12 2HG LYS 12 -4.130 -2.673 7.800 116 HD2 LYS 12 1HD LYS 12 -5.286 0.117 7.829 117 HD3 LYS 12 2HD LYS 12 -4.423 -0.651 9.161 118 HE2 LYS 12 1HE LYS 12 -2.779 -0.895 6.885 119 HE3 LYS 12 2HE LYS 12 -3.379 0.761 6.893 120 HZ1 LYS 12 3HZ LYS 12 -2.682 0.471 9.450 121 HZ2 LYS 12 1HZ LYS 12 -1.635 1.065 8.259 122 HZ3 LYS 12 2HZ LYS 12 -1.553 -0.558 8.725 123 H THR 13 H THR 13 -4.114 -5.123 5.945 124 HA THR 13 HA THR 13 -5.750 -5.901 3.644 125 HB THR 13 HB THR 13 -3.401 -7.582 4.500 126 HG1 THR 13 HG1 THR 13 -2.397 -5.810 3.740 127 HG21 THR 13 3HG2 THR 13 -4.605 -7.516 1.772 128 HG22 THR 13 1HG2 THR 13 -5.355 -8.465 3.056 129 HG23 THR 13 2HG2 THR 13 -3.693 -8.797 2.572 130 H GLN 14 H GLN 14 -7.555 -6.649 4.550 131 HA GLN 14 HA GLN 14 -7.307 -8.514 6.818 132 HB2 GLN 14 1HB GLN 14 -8.599 -6.079 6.866 133 HB3 GLN 14 2HB GLN 14 -9.912 -7.202 6.533 134 HG2 GLN 14 1HG GLN 14 -9.332 -8.490 8.510 135 HG3 GLN 14 2HG GLN 14 -7.983 -7.404 8.836 136 HE21 GLN 14 2HE2 GLN 14 -9.622 -7.683 10.843 137 HE22 GLN 14 1HE2 GLN 14 -10.674 -6.326 11.034 138 H GLN 15 H GLN 15 -8.351 -10.457 6.656 139 HA GLN 15 HA GLN 15 -10.224 -10.835 4.432 140 HB2 GLN 15 1HB GLN 15 -7.844 -11.469 3.798 141 HB3 GLN 15 2HB GLN 15 -7.991 -12.785 4.953 142 HG2 GLN 15 1HG GLN 15 -10.242 -12.751 3.161 143 HG3 GLN 15 2HG GLN 15 -8.724 -12.794 2.268 144 HE21 GLN 15 2HE2 GLN 15 -8.215 -14.786 1.741 145 HE22 GLN 15 1HE2 GLN 15 -8.417 -16.187 2.731 146 H HIS 16 H HIS 16 -11.683 -12.587 4.659 147 HA HIS 16 HA HIS 16 -11.586 -14.122 7.143 148 HB2 HIS 16 1HB HIS 16 -12.818 -12.019 7.666 149 HB3 HIS 16 2HB HIS 16 -13.996 -12.443 6.429 150 HD1 HIS 16 HD1 HIS 16 -15.996 -12.798 7.923 151 HD2 HIS 16 HD2 HIS 16 -12.685 -15.009 9.117 152 HE1 HIS 16 HE1 HIS 16 -16.833 -14.348 9.717 153 HE2 HIS 16 HE2 HIS 16 -14.837 -15.752 10.344 154 H ILE 17 H ILE 17 -11.969 -16.187 6.624 155 HA ILE 17 HA ILE 17 -13.649 -16.748 4.269 156 HB ILE 17 HB ILE 17 -11.844 -18.740 5.624 157 HG12 ILE 17 1HG1 ILE 17 -11.125 -17.014 3.247 158 HG13 ILE 17 2HG1 ILE 17 -10.549 -16.729 4.884 159 HG21 ILE 17 1HG2 ILE 17 -13.775 -19.163 3.810 160 HG22 ILE 17 2HG2 ILE 17 -12.307 -20.135 3.909 161 HG23 ILE 17 3HG2 ILE 17 -12.422 -18.830 2.730 162 HD11 ILE 17 3HD1 ILE 17 -8.796 -17.945 4.239 163 HD12 ILE 17 1HD1 ILE 17 -9.668 -18.670 2.890 164 HD13 ILE 17 2HD1 ILE 17 -9.856 -19.327 4.516 165 H LEU 18 H LEU 18 -15.670 -17.325 4.692 166 HA LEU 18 HA LEU 18 -16.344 -19.455 6.418 167 HB2 LEU 18 1HB LEU 18 -15.888 -17.358 7.952 168 HB3 LEU 18 2HB LEU 18 -17.506 -16.907 7.451 169 HG LEU 18 HG LEU 18 -17.853 -19.518 8.226 170 HD11 LEU 18 1HD1 LEU 18 -16.788 -19.385 10.590 171 HD12 LEU 18 2HD1 LEU 18 -15.639 -18.297 9.813 172 HD13 LEU 18 3HD1 LEU 18 -15.823 -19.949 9.226 173 HD21 LEU 18 3HD2 LEU 18 -18.362 -16.850 9.398 174 HD22 LEU 18 1HD2 LEU 18 -18.554 -18.242 10.464 175 HD23 LEU 18 2HD2 LEU 18 -19.488 -18.138 8.972 176 HA PRO 19 HA PRO 19 -19.424 -18.650 3.115 177 HB2 PRO 19 1HB PRO 19 -20.145 -21.282 2.880 178 HB3 PRO 19 2HB PRO 19 -18.801 -20.548 2.005 179 HG2 PRO 19 1HG PRO 19 -18.768 -22.230 4.470 180 HG3 PRO 19 2HG PRO 19 -17.644 -22.222 3.099 181 HD2 PRO 19 1HD PRO 19 -17.076 -21.033 5.470 182 HD3 PRO 19 2HD PRO 19 -16.451 -20.436 3.921 183 H GLU 20 H GLU 20 -19.902 -21.012 5.762 184 HA GLU 20 HA GLU 20 -21.670 -21.462 7.112 185 HB2 GLU 20 1HB GLU 20 -21.119 -19.005 7.656 186 HB3 GLU 20 2HB GLU 20 -22.554 -18.612 6.718 187 HG2 GLU 20 1HG GLU 20 -23.888 -20.040 8.226 188 HG3 GLU 20 2HG GLU 20 -22.444 -20.320 9.195 189 H VAL 21 H VAL 21 -22.030 -22.003 4.331 190 HA VAL 21 HA VAL 21 -24.876 -21.407 3.907 191 HB VAL 21 HB VAL 21 -22.887 -22.508 1.908 192 HG11 VAL 21 1HG1 VAL 21 -25.579 -21.268 1.380 193 HG12 VAL 21 2HG1 VAL 21 -25.332 -23.005 1.558 194 HG13 VAL 21 3HG1 VAL 21 -24.539 -22.130 0.248 195 HG21 VAL 21 3HG2 VAL 21 -23.919 -19.779 1.539 196 HG22 VAL 21 1HG2 VAL 21 -22.303 -20.430 1.271 197 HG23 VAL 21 2HG2 VAL 21 -22.813 -19.984 2.897 198 HA PRO 22 HA PRO 22 -25.948 -25.574 5.059 199 HB2 PRO 22 1HB PRO 22 -28.198 -25.811 3.460 200 HB3 PRO 22 2HB PRO 22 -28.169 -25.048 5.053 201 HG2 PRO 22 1HG PRO 22 -28.043 -23.788 2.344 202 HG3 PRO 22 2HG PRO 22 -28.930 -23.260 3.787 203 HD2 PRO 22 1HD PRO 22 -26.640 -22.087 3.061 204 HD3 PRO 22 2HD PRO 22 -27.032 -22.353 4.771 205 HA PRO 23 HA PRO 23 -24.567 -28.529 2.079 206 HB2 PRO 23 1HB PRO 23 -26.732 -30.246 1.769 207 HB3 PRO 23 2HB PRO 23 -25.517 -30.353 3.044 208 HG2 PRO 23 1HG PRO 23 -28.245 -29.146 3.119 209 HG3 PRO 23 2HG PRO 23 -27.394 -30.077 4.364 210 HD2 PRO 23 1HD PRO 23 -27.613 -27.417 4.528 211 HD3 PRO 23 2HD PRO 23 -26.132 -28.251 5.046 212 H VAL 24 H VAL 24 -24.477 -27.012 0.358 213 HA VAL 24 HA VAL 24 -26.470 -27.522 -1.738 214 HB VAL 24 HB VAL 24 -25.315 -24.782 -1.198 215 HG11 VAL 24 1HG1 VAL 24 -27.621 -25.555 -2.975 216 HG12 VAL 24 2HG1 VAL 24 -25.965 -25.364 -3.551 217 HG13 VAL 24 3HG1 VAL 24 -26.823 -23.986 -2.861 218 HG21 VAL 24 3HG2 VAL 24 -26.933 -25.648 0.563 219 HG22 VAL 24 1HG2 VAL 24 -28.165 -25.598 -0.698 220 HG23 VAL 24 2HG2 VAL 24 -27.342 -24.117 -0.206 221 H GLU 25 H GLU 25 -23.349 -25.890 -1.120 222 HA GLU 25 HA GLU 25 -22.193 -27.330 -3.392 223 HB2 GLU 25 1HB GLU 25 -23.027 -24.865 -3.867 224 HB3 GLU 25 2HB GLU 25 -21.516 -24.436 -3.081 225 HG2 GLU 25 1HG GLU 25 -20.232 -25.273 -4.773 226 HG3 GLU 25 2HG GLU 25 -21.446 -26.451 -5.262 227 H ASN 26 H ASN 26 -19.726 -26.854 -3.474 228 HA ASN 26 HA ASN 26 -18.702 -26.861 -0.711 229 HB2 ASN 26 1HB ASN 26 -18.448 -28.813 -2.757 230 HB3 ASN 26 2HB ASN 26 -16.857 -28.095 -2.527 231 HD21 ASN 26 2HD2 ASN 26 -19.520 -28.825 -0.291 232 HD22 ASN 26 1HD2 ASN 26 -18.576 -29.799 0.777 233 H PHE 27 H PHE 27 -19.054 -24.479 -2.279 234 HA PHE 27 HA PHE 27 -16.249 -23.722 -2.760 235 HB2 PHE 27 1HB PHE 27 -18.487 -23.460 -4.452 236 HB3 PHE 27 2HB PHE 27 -18.130 -21.839 -3.875 237 HD1 PHE 27 HD2 PHE 27 -15.894 -20.845 -4.295 238 HD2 PHE 27 HD1 PHE 27 -17.080 -24.557 -6.010 239 HE1 PHE 27 HE2 PHE 27 -14.084 -20.656 -5.949 240 HE2 PHE 27 HE1 PHE 27 -15.270 -24.373 -7.665 241 HZ PHE 27 HZ PHE 27 -13.770 -22.419 -7.638 242 HA PRO 28 HA PRO 28 -17.281 -21.574 1.173 243 HB2 PRO 28 1HB PRO 28 -14.366 -21.039 0.871 244 HB3 PRO 28 2HB PRO 28 -15.271 -21.572 2.292 245 HG2 PRO 28 1HG PRO 28 -13.768 -23.287 0.925 246 HG3 PRO 28 2HG PRO 28 -15.338 -23.781 1.582 247 HD2 PRO 28 1HD PRO 28 -14.581 -23.123 -1.230 248 HD3 PRO 28 2HD PRO 28 -15.714 -24.347 -0.619 249 H VAL 29 H VAL 29 -17.274 -19.377 1.770 250 HA VAL 29 HA VAL 29 -16.679 -17.497 -0.421 251 HB VAL 29 HB VAL 29 -18.849 -17.180 1.660 252 HG11 VAL 29 1HG1 VAL 29 -19.069 -15.694 -0.839 253 HG12 VAL 29 2HG1 VAL 29 -17.637 -15.271 0.100 254 HG13 VAL 29 3HG1 VAL 29 -19.239 -15.144 0.828 255 HG21 VAL 29 3HG2 VAL 29 -19.303 -17.844 -1.236 256 HG22 VAL 29 1HG2 VAL 29 -20.455 -17.891 0.097 257 HG23 VAL 29 2HG2 VAL 29 -19.167 -19.093 0.002 258 H ARG 30 H ARG 30 -14.965 -16.283 0.083 259 HA ARG 30 HA ARG 30 -14.567 -15.530 2.898 260 HB2 ARG 30 1HB ARG 30 -12.194 -15.149 2.299 261 HB3 ARG 30 2HB ARG 30 -12.707 -16.811 2.061 262 HG2 ARG 30 1HG ARG 30 -12.977 -16.321 -0.360 263 HG3 ARG 30 2HG ARG 30 -12.292 -14.720 -0.064 264 HD2 ARG 30 1HD ARG 30 -10.192 -15.520 0.178 265 HD3 ARG 30 2HD ARG 30 -10.733 -16.981 1.000 266 HE ARG 30 HE ARG 30 -10.090 -16.735 -1.736 267 HH11 ARG 30 1HH1 ARG 30 -12.388 -18.298 0.393 268 HH12 ARG 30 2HH1 ARG 30 -12.683 -19.615 -0.688 269 HH21 ARG 30 1HH2 ARG 30 -10.486 -18.473 -3.162 270 HH22 ARG 30 2HH2 ARG 30 -11.602 -19.718 -2.706 271 H GLN 31 H GLN 31 -13.529 -13.389 3.261 272 HA GLN 31 HA GLN 31 -14.300 -11.389 1.253 273 HB2 GLN 31 1HB GLN 31 -15.511 -11.805 3.831 274 HB3 GLN 31 2HB GLN 31 -14.732 -10.230 3.789 275 HG2 GLN 31 1HG GLN 31 -15.973 -9.950 1.535 276 HG3 GLN 31 2HG GLN 31 -16.982 -11.269 2.125 277 HE21 GLN 31 2HE2 GLN 31 -17.531 -10.860 4.604 278 HE22 GLN 31 1HE2 GLN 31 -18.212 -9.302 4.908 279 H TRP 32 H TRP 32 -12.470 -10.450 0.684 280 HA TRP 32 HA TRP 32 -10.484 -9.821 2.763 281 HB2 TRP 32 1HB TRP 32 -8.783 -9.880 0.948 282 HB3 TRP 32 2HB TRP 32 -9.574 -11.431 1.209 283 HD1 TRP 32 HD1 TRP 32 -11.593 -12.024 -0.650 284 HE1 TRP 32 HE1 TRP 32 -11.634 -11.523 -3.173 285 HE3 TRP 32 HE3 TRP 32 -8.038 -8.354 -0.807 286 HZ2 TRP 32 HZ2 TRP 32 -10.321 -9.808 -4.994 287 HZ3 TRP 32 HZ3 TRP 32 -7.487 -7.336 -2.979 288 HH2 TRP 32 HH2 TRP 32 -8.606 -8.052 -5.027 289 H SER 33 H SER 33 -9.398 -7.819 2.667 290 HA SER 33 HA SER 33 -10.452 -5.815 0.806 291 HB2 SER 33 1HB SER 33 -10.199 -5.140 3.726 292 HB3 SER 33 2HB SER 33 -11.097 -4.292 2.470 293 HG SER 33 HG SER 33 -11.909 -6.280 4.106 294 H ILE 34 H ILE 34 -9.066 -4.082 0.388 295 HA ILE 34 HA ILE 34 -6.487 -4.002 1.746 296 HB ILE 34 HB ILE 34 -6.132 -5.569 -0.111 297 HG12 ILE 34 1HG1 ILE 34 -4.306 -4.169 -1.300 298 HG13 ILE 34 2HG1 ILE 34 -4.799 -2.871 -0.219 299 HG21 ILE 34 1HG2 ILE 34 -6.959 -3.265 -1.873 300 HG22 ILE 34 2HG2 ILE 34 -7.845 -4.770 -1.635 301 HG23 ILE 34 3HG2 ILE 34 -6.274 -4.789 -2.434 302 HD11 ILE 34 3HD1 ILE 34 -3.124 -5.155 0.291 303 HD12 ILE 34 1HD1 ILE 34 -4.452 -5.057 1.445 304 HD13 ILE 34 2HD1 ILE 34 -3.357 -3.690 1.243 305 H GLU 35 H GLU 35 -5.659 -1.988 1.904 306 HA GLU 35 HA GLU 35 -6.737 0.118 0.166 307 HB2 GLU 35 1HB GLU 35 -6.917 1.636 2.115 308 HB3 GLU 35 2HB GLU 35 -8.029 0.278 2.195 309 HG2 GLU 35 1HG GLU 35 -5.525 -0.317 3.513 310 HG3 GLU 35 2HG GLU 35 -6.290 1.126 4.176 311 H ILE 36 H ILE 36 -5.351 1.794 -0.294 312 HA ILE 36 HA ILE 36 -2.573 1.503 0.659 313 HB ILE 36 HB ILE 36 -3.420 2.494 -2.067 314 HG12 ILE 36 1HG1 ILE 36 -2.191 0.209 -2.662 315 HG13 ILE 36 2HG1 ILE 36 -2.776 -0.245 -1.065 316 HG21 ILE 36 1HG2 ILE 36 -1.075 2.299 -2.636 317 HG22 ILE 36 2HG2 ILE 36 -0.707 1.706 -1.016 318 HG23 ILE 36 3HG2 ILE 36 -1.277 3.359 -1.242 319 HD11 ILE 36 3HD1 ILE 36 -5.038 0.744 -2.081 320 HD12 ILE 36 1HD1 ILE 36 -4.548 -0.937 -2.273 321 HD13 ILE 36 2HD1 ILE 36 -4.260 0.218 -3.572 322 H VAL 37 H VAL 37 -2.257 3.139 2.067 323 HA VAL 37 HA VAL 37 -3.314 5.804 1.391 324 HB VAL 37 HB VAL 37 -2.311 4.858 4.073 325 HG11 VAL 37 1HG1 VAL 37 -2.201 7.249 3.859 326 HG12 VAL 37 2HG1 VAL 37 -3.560 6.837 4.906 327 HG13 VAL 37 3HG1 VAL 37 -3.849 7.309 3.232 328 HG21 VAL 37 3HG2 VAL 37 -4.349 3.637 3.209 329 HG22 VAL 37 1HG2 VAL 37 -5.194 5.183 3.283 330 HG23 VAL 37 2HG2 VAL 37 -4.542 4.463 4.753 331 H LEU 38 H LEU 38 -1.980 7.546 1.183 332 HA LEU 38 HA LEU 38 0.724 7.582 2.083 333 HB2 LEU 38 1HB LEU 38 1.756 7.745 -0.178 334 HB3 LEU 38 2HB LEU 38 1.152 6.151 0.230 335 HG LEU 38 HG LEU 38 -0.862 7.698 -1.164 336 HD11 LEU 38 1HD1 LEU 38 1.854 7.912 -2.148 337 HD12 LEU 38 2HD1 LEU 38 0.391 8.746 -2.667 338 HD13 LEU 38 3HD1 LEU 38 0.775 7.155 -3.318 339 HD21 LEU 38 3HD2 LEU 38 0.400 5.286 -2.331 340 HD22 LEU 38 1HD2 LEU 38 -1.302 5.701 -2.145 341 HD23 LEU 38 2HD2 LEU 38 -0.385 5.109 -0.762 342 H LEU 39 H LEU 39 1.853 9.588 1.512 343 HA LEU 39 HA LEU 39 -0.053 11.776 1.035 344 HB2 LEU 39 1HB LEU 39 2.410 11.498 2.679 345 HB3 LEU 39 2HB LEU 39 2.079 13.073 1.989 346 HG LEU 39 HG LEU 39 -0.065 13.172 3.138 347 HD11 LEU 39 1HD1 LEU 39 0.656 10.415 4.119 348 HD12 LEU 39 2HD1 LEU 39 -0.722 10.872 3.117 349 HD13 LEU 39 3HD1 LEU 39 -0.639 11.404 4.795 350 HD21 LEU 39 3HD2 LEU 39 2.455 12.730 4.626 351 HD22 LEU 39 1HD2 LEU 39 0.967 12.762 5.570 352 HD23 LEU 39 2HD2 LEU 39 1.404 14.144 4.566 353 H ASP 40 H ASP 40 0.794 13.703 -0.128 354 HA ASP 40 HA ASP 40 3.028 13.267 -1.925 355 HB2 ASP 40 1HB ASP 40 0.170 13.285 -2.833 356 HB3 ASP 40 2HB ASP 40 1.399 13.998 -3.870 357 H ASP 41 H ASP 41 0.145 15.361 -1.693 358 HA ASP 41 HA ASP 41 1.518 17.728 -2.418 359 HB2 ASP 41 1HB ASP 41 -1.042 17.621 -0.823 360 HB3 ASP 41 2HB ASP 41 -0.502 18.887 -1.919 361 H GLU 42 H GLU 42 1.305 16.032 0.569 362 HA GLU 42 HA GLU 42 1.922 18.352 2.191 363 HB2 GLU 42 1HB GLU 42 1.775 15.426 2.946 364 HB3 GLU 42 2HB GLU 42 1.944 16.767 4.070 365 HG2 GLU 42 1HG GLU 42 -0.402 16.345 2.233 366 HG3 GLU 42 2HG GLU 42 -0.353 15.903 3.939 367 H GLY 43 H GLY 43 3.595 15.609 0.764 368 HA2 GLY 43 1HA GLY 43 6.106 16.669 1.891 369 HA3 GLY 43 2HA GLY 43 5.833 14.958 1.603 370 H LYS 44 H LYS 44 5.216 17.835 -0.388 371 HA LYS 44 HA LYS 44 5.895 18.449 -2.458 372 HB2 LYS 44 1HB LYS 44 8.200 17.267 -1.249 373 HB3 LYS 44 2HB LYS 44 8.165 16.831 -2.951 374 HG2 LYS 44 1HG LYS 44 7.538 19.521 -2.946 375 HG3 LYS 44 2HG LYS 44 8.773 19.366 -1.697 376 HD2 LYS 44 1HD LYS 44 9.194 18.010 -4.320 377 HD3 LYS 44 2HD LYS 44 9.427 19.756 -4.217 378 HE2 LYS 44 1HE LYS 44 11.543 18.716 -3.837 379 HE3 LYS 44 2HE LYS 44 10.977 19.361 -2.298 380 HZ1 LYS 44 3HZ LYS 44 10.654 17.292 -1.441 381 HZ2 LYS 44 1HZ LYS 44 11.927 16.939 -2.498 382 HZ3 LYS 44 2HZ LYS 44 10.336 16.574 -2.939 383 H GLU 45 H GLU 45 4.466 17.778 -3.912 384 HA GLU 45 HA GLU 45 4.236 14.965 -4.594 385 HB2 GLU 45 1HB GLU 45 2.313 15.684 -5.966 386 HB3 GLU 45 2HB GLU 45 2.185 16.215 -4.295 387 HG2 GLU 45 1HG GLU 45 2.622 18.442 -4.841 388 HG3 GLU 45 2HG GLU 45 3.284 18.019 -6.418 389 H ILE 46 H ILE 46 6.561 16.870 -5.451 390 HA ILE 46 HA ILE 46 6.480 16.119 -8.296 391 HB ILE 46 HB ILE 46 7.846 18.573 -7.190 392 HG12 ILE 46 1HG1 ILE 46 5.580 18.942 -9.029 393 HG13 ILE 46 2HG1 ILE 46 5.126 18.274 -7.466 394 HG21 ILE 46 1HG2 ILE 46 7.596 19.031 -9.815 395 HG22 ILE 46 2HG2 ILE 46 7.719 17.272 -9.837 396 HG23 ILE 46 3HG2 ILE 46 9.000 18.237 -9.102 397 HD11 ILE 46 3HD1 ILE 46 6.351 20.918 -8.103 398 HD12 ILE 46 1HD1 ILE 46 6.531 20.211 -6.499 399 HD13 ILE 46 2HD1 ILE 46 4.922 20.545 -7.139 400 HA PRO 47 HA PRO 47 10.182 13.980 -6.756 401 HB2 PRO 47 1HB PRO 47 10.299 12.145 -8.729 402 HB3 PRO 47 2HB PRO 47 9.151 12.014 -7.391 403 HG2 PRO 47 1HG PRO 47 8.708 13.008 -10.178 404 HG3 PRO 47 2HG PRO 47 7.685 11.945 -9.195 405 HD2 PRO 47 1HD PRO 47 7.216 14.614 -9.511 406 HD3 PRO 47 2HD PRO 47 6.735 13.704 -8.066 407 H ALA 48 H ALA 48 12.112 13.025 -8.297 408 HA ALA 48 HA ALA 48 12.775 14.791 -10.487 409 HB1 ALA 48 3HB ALA 48 13.470 16.285 -8.825 410 HB2 ALA 48 1HB ALA 48 14.951 15.482 -9.346 411 HB3 ALA 48 2HB ALA 48 14.171 15.002 -7.838 412 H THR 49 H THR 49 14.045 12.387 -8.183 413 HA THR 49 HA THR 49 15.829 11.336 -10.240 414 HB THR 49 HB THR 49 15.680 10.022 -7.580 415 HG1 THR 49 HG1 THR 49 15.630 12.012 -6.751 416 HG21 THR 49 3HG2 THR 49 18.047 11.062 -9.113 417 HG22 THR 49 1HG2 THR 49 17.394 9.434 -9.271 418 HG23 THR 49 2HG2 THR 49 18.059 9.971 -7.730 419 H ILE 50 H ILE 50 13.666 9.773 -7.840 420 HA ILE 50 HA ILE 50 12.653 8.081 -10.011 421 HB ILE 50 HB ILE 50 13.514 7.016 -7.314 422 HG12 ILE 50 1HG1 ILE 50 14.866 5.580 -9.196 423 HG13 ILE 50 2HG1 ILE 50 14.808 7.162 -9.964 424 HG21 ILE 50 1HG2 ILE 50 11.543 6.070 -9.087 425 HG22 ILE 50 2HG2 ILE 50 12.215 5.247 -7.680 426 HG23 ILE 50 3HG2 ILE 50 12.934 5.003 -9.271 427 HD11 ILE 50 3HD1 ILE 50 15.561 7.704 -7.357 428 HD12 ILE 50 1HD1 ILE 50 16.604 7.668 -8.777 429 HD13 ILE 50 2HD1 ILE 50 16.434 6.230 -7.772 430 H PHE 51 H PHE 51 11.948 7.681 -6.558 431 HA PHE 51 HA PHE 51 10.023 7.829 -5.381 432 HB2 PHE 51 1HB PHE 51 10.296 10.222 -5.653 433 HB3 PHE 51 2HB PHE 51 9.545 10.157 -7.243 434 HD1 PHE 51 HD1 PHE 51 8.672 8.931 -3.816 435 HD2 PHE 51 HD2 PHE 51 7.439 11.043 -7.300 436 HE1 PHE 51 HE1 PHE 51 6.462 9.316 -2.800 437 HE2 PHE 51 HE2 PHE 51 5.234 11.432 -6.289 438 HZ PHE 51 HZ PHE 51 4.741 10.567 -4.038 439 H ASP 52 H ASP 52 8.946 5.990 -5.762 440 HA ASP 52 HA ASP 52 6.643 6.092 -7.472 441 HB2 ASP 52 1HB ASP 52 8.928 5.177 -8.696 442 HB3 ASP 52 2HB ASP 52 8.206 3.681 -8.107 443 H LYS 53 H LYS 53 5.157 5.397 -6.062 444 HA LYS 53 HA LYS 53 5.867 3.187 -4.264 445 HB2 LYS 53 1HB LYS 53 3.389 4.903 -4.104 446 HB3 LYS 53 2HB LYS 53 4.075 3.869 -2.859 447 HG2 LYS 53 1HG LYS 53 5.558 5.416 -2.189 448 HG3 LYS 53 2HG LYS 53 5.836 6.016 -3.824 449 HD2 LYS 53 1HD LYS 53 4.494 7.743 -3.429 450 HD3 LYS 53 2HD LYS 53 3.157 6.640 -3.102 451 HE2 LYS 53 1HE LYS 53 3.650 8.229 -1.244 452 HE3 LYS 53 2HE LYS 53 3.724 6.530 -0.780 453 HZ1 LYS 53 3HZ LYS 53 5.621 8.316 -0.207 454 HZ2 LYS 53 1HZ LYS 53 6.238 7.689 -1.652 455 HZ3 LYS 53 2HZ LYS 53 5.913 6.658 -0.353 456 H VAL 54 H VAL 54 5.508 1.303 -5.296 457 HA VAL 54 HA VAL 54 2.991 0.981 -6.780 458 HB VAL 54 HB VAL 54 5.013 0.458 -8.049 459 HG11 VAL 54 1HG1 VAL 54 6.564 -0.215 -6.396 460 HG12 VAL 54 2HG1 VAL 54 6.296 -1.619 -7.426 461 HG13 VAL 54 3HG1 VAL 54 5.520 -1.527 -5.848 462 HG21 VAL 54 3HG2 VAL 54 2.865 -0.780 -8.412 463 HG22 VAL 54 1HG2 VAL 54 3.530 -2.092 -7.440 464 HG23 VAL 54 2HG2 VAL 54 4.311 -1.631 -8.950 465 H ILE 55 H ILE 55 1.503 -0.545 -6.261 466 HA ILE 55 HA ILE 55 2.041 -2.245 -3.915 467 HB ILE 55 HB ILE 55 -0.586 -0.840 -4.405 468 HG12 ILE 55 1HG1 ILE 55 0.277 0.401 -2.224 469 HG13 ILE 55 2HG1 ILE 55 1.854 0.008 -2.899 470 HG21 ILE 55 1HG2 ILE 55 0.505 -2.541 -2.186 471 HG22 ILE 55 2HG2 ILE 55 -0.983 -2.748 -3.110 472 HG23 ILE 55 3HG2 ILE 55 -0.853 -1.441 -1.934 473 HD11 ILE 55 3HD1 ILE 55 -0.209 1.358 -4.583 474 HD12 ILE 55 1HD1 ILE 55 1.546 1.367 -4.742 475 HD13 ILE 55 2HD1 ILE 55 0.773 2.280 -3.449 476 H TYR 56 H TYR 56 1.061 -4.255 -3.888 477 HA TYR 56 HA TYR 56 -0.631 -4.991 -6.164 478 HB2 TYR 56 1HB TYR 56 1.991 -5.564 -6.303 479 HB3 TYR 56 2HB TYR 56 1.449 -6.965 -5.388 480 HD1 TYR 56 HD2 TYR 56 0.254 -5.020 -8.359 481 HD2 TYR 56 HD1 TYR 56 1.028 -8.838 -6.649 482 HE1 TYR 56 HE2 TYR 56 -0.469 -6.097 -10.450 483 HE2 TYR 56 HE1 TYR 56 0.311 -9.924 -8.732 484 HH TYR 56 HH TYR 56 -1.234 -9.305 -10.703 485 H HIS 57 H HIS 57 -2.008 -6.735 -5.803 486 HA HIS 57 HA HIS 57 -1.953 -8.226 -3.350 487 HB2 HIS 57 1HB HIS 57 -4.208 -7.408 -2.585 488 HB3 HIS 57 2HB HIS 57 -2.912 -6.230 -2.418 489 HD1 HIS 57 HD1 HIS 57 -3.023 -4.125 -3.915 490 HD2 HIS 57 HD2 HIS 57 -6.196 -6.752 -4.452 491 HE1 HIS 57 HE1 HIS 57 -4.731 -2.854 -5.253 492 HE2 HIS 57 HE2 HIS 57 -6.682 -4.431 -5.481 493 H LEU 58 H LEU 58 -1.786 -9.450 -5.606 494 HA LEU 58 HA LEU 58 -4.064 -11.074 -5.820 495 HB2 LEU 58 1HB LEU 58 -4.764 -10.456 -8.143 496 HB3 LEU 58 2HB LEU 58 -5.187 -9.282 -6.913 497 HG LEU 58 HG LEU 58 -2.610 -8.707 -8.156 498 HD11 LEU 58 1HD1 LEU 58 -3.300 -8.190 -10.330 499 HD12 LEU 58 2HD1 LEU 58 -5.006 -8.414 -9.937 500 HD13 LEU 58 3HD1 LEU 58 -3.931 -9.810 -10.031 501 HD21 LEU 58 3HD2 LEU 58 -3.253 -6.574 -7.817 502 HD22 LEU 58 1HD2 LEU 58 -4.440 -7.320 -6.750 503 HD23 LEU 58 2HD2 LEU 58 -4.895 -6.863 -8.389 504 H HIS 59 H HIS 59 -3.964 -12.419 -7.971 505 HA HIS 59 HA HIS 59 -1.452 -13.685 -8.063 506 HB2 HIS 59 1HB HIS 59 -4.057 -14.026 -9.308 507 HB3 HIS 59 2HB HIS 59 -2.756 -14.376 -10.439 508 HD1 HIS 59 HD1 HIS 59 -4.529 -16.657 -9.590 509 HD2 HIS 59 HD2 HIS 59 -1.067 -15.617 -7.540 510 HE1 HIS 59 HE1 HIS 59 -3.834 -18.730 -8.350 511 HE2 HIS 59 HE2 HIS 59 -1.783 -18.053 -7.052 512 HA PRO 60 HA PRO 60 0.817 -11.447 -11.112 513 HB2 PRO 60 1HB PRO 60 2.160 -13.376 -12.433 514 HB3 PRO 60 2HB PRO 60 2.512 -12.917 -10.767 515 HG2 PRO 60 1HG PRO 60 0.969 -15.255 -11.801 516 HG3 PRO 60 2HG PRO 60 2.116 -15.180 -10.453 517 HD2 PRO 60 1HD PRO 60 -0.608 -15.156 -10.148 518 HD3 PRO 60 2HD PRO 60 0.528 -14.450 -8.984 519 H THR 61 H THR 61 -1.809 -13.235 -12.070 520 HA THR 61 HA THR 61 -1.481 -13.354 -14.871 521 HB THR 61 HB THR 61 -4.195 -12.975 -13.693 522 HG1 THR 61 HG1 THR 61 -4.168 -14.994 -12.770 523 HG21 THR 61 3HG2 THR 61 -4.183 -13.592 -15.976 524 HG22 THR 61 1HG2 THR 61 -4.653 -15.021 -15.058 525 HG23 THR 61 2HG2 THR 61 -3.013 -14.879 -15.689 526 H PHE 62 H PHE 62 -1.607 -10.687 -12.866 527 HA PHE 62 HA PHE 62 -1.882 -8.472 -13.195 528 HB2 PHE 62 1HB PHE 62 -0.565 -9.328 -15.348 529 HB3 PHE 62 2HB PHE 62 -2.031 -8.782 -16.150 530 HD1 PHE 62 HD1 PHE 62 0.038 -7.460 -13.339 531 HD2 PHE 62 HD2 PHE 62 -1.720 -6.740 -17.150 532 HE1 PHE 62 HE1 PHE 62 0.892 -5.151 -13.294 533 HE2 PHE 62 HE2 PHE 62 -0.868 -4.434 -17.110 534 HZ PHE 62 HZ PHE 62 0.439 -3.635 -15.182 535 H ALA 63 H ALA 63 -4.083 -8.968 -12.310 536 HA ALA 63 HA ALA 63 -6.227 -8.593 -14.278 537 HB1 ALA 63 3HB ALA 63 -6.966 -10.337 -13.031 538 HB2 ALA 63 1HB ALA 63 -7.593 -9.026 -12.031 539 HB3 ALA 63 2HB ALA 63 -6.084 -9.827 -11.589 540 H ASN 64 H ASN 64 -4.658 -7.020 -11.565 541 HA ASN 64 HA ASN 64 -5.809 -4.508 -12.232 542 HB2 ASN 64 1HB ASN 64 -7.613 -5.839 -10.859 543 HB3 ASN 64 2HB ASN 64 -6.614 -5.387 -9.482 544 HD21 ASN 64 2HD2 ASN 64 -8.224 -4.084 -8.618 545 HD22 ASN 64 1HD2 ASN 64 -8.642 -2.558 -9.307 546 HA PRO 65 HA PRO 65 -1.820 -4.266 -9.951 547 HB2 PRO 65 1HB PRO 65 -0.573 -2.606 -11.655 548 HB3 PRO 65 2HB PRO 65 -0.708 -4.340 -11.975 549 HG2 PRO 65 1HG PRO 65 -2.343 -2.082 -13.071 550 HG3 PRO 65 2HG PRO 65 -1.666 -3.485 -13.919 551 HD2 PRO 65 1HD PRO 65 -4.266 -3.329 -13.099 552 HD3 PRO 65 2HD PRO 65 -3.383 -4.859 -13.270 553 H ASN 66 H ASN 66 -1.273 -2.757 -8.448 554 HA ASN 66 HA ASN 66 -2.708 -0.187 -8.549 555 HB2 ASN 66 1HB ASN 66 -3.139 -1.844 -6.629 556 HB3 ASN 66 2HB ASN 66 -1.535 -1.404 -6.053 557 HD21 ASN 66 2HD2 ASN 66 -4.592 0.064 -7.095 558 HD22 ASN 66 1HD2 ASN 66 -4.554 1.354 -5.950 559 H ARG 67 H ARG 67 -1.572 1.643 -8.694 560 HA ARG 67 HA ARG 67 1.211 1.699 -7.811 561 HB2 ARG 67 1HB ARG 67 0.287 2.018 -10.633 562 HB3 ARG 67 2HB ARG 67 1.627 3.008 -10.069 563 HG2 ARG 67 1HG ARG 67 2.953 1.112 -9.590 564 HG3 ARG 67 2HG ARG 67 1.584 0.019 -9.801 565 HD2 ARG 67 1HD ARG 67 1.496 0.527 -12.161 566 HD3 ARG 67 2HD ARG 67 2.773 1.728 -11.980 567 HE ARG 67 HE ARG 67 3.621 -0.833 -11.082 568 HH11 ARG 67 1HH1 ARG 67 3.071 1.049 -13.987 569 HH12 ARG 67 2HH1 ARG 67 4.225 0.164 -14.924 570 HH21 ARG 67 1HH2 ARG 67 5.135 -1.993 -12.323 571 HH22 ARG 67 2HH2 ARG 67 5.396 -1.565 -13.980 572 H THR 68 H THR 68 1.876 3.663 -7.068 573 HA THR 68 HA THR 68 -0.022 5.895 -7.349 574 HB THR 68 HB THR 68 1.383 6.277 -4.939 575 HG1 THR 68 HG1 THR 68 1.457 4.421 -3.973 576 HG21 THR 68 3HG2 THR 68 -0.704 7.048 -4.694 577 HG22 THR 68 1HG2 THR 68 -1.025 5.425 -4.086 578 HG23 THR 68 2HG2 THR 68 -1.396 5.826 -5.762 579 H PHE 69 H PHE 69 0.920 7.224 -8.721 580 HA PHE 69 HA PHE 69 3.782 7.826 -8.446 581 HB2 PHE 69 1HB PHE 69 1.809 8.216 -10.694 582 HB3 PHE 69 2HB PHE 69 3.375 9.015 -10.685 583 HD1 PHE 69 HD1 PHE 69 2.305 5.539 -9.805 584 HD2 PHE 69 HD2 PHE 69 4.737 8.041 -12.245 585 HE1 PHE 69 HE1 PHE 69 3.330 3.548 -10.820 586 HE2 PHE 69 HE2 PHE 69 5.764 6.051 -13.262 587 HZ PHE 69 HZ PHE 69 5.060 3.802 -12.552 588 H THR 70 H THR 70 0.582 9.320 -8.620 589 HA THR 70 HA THR 70 1.258 11.428 -6.857 590 HB THR 70 HB THR 70 2.450 12.337 -8.766 591 HG1 THR 70 HG1 THR 70 -0.021 13.673 -8.372 592 HG21 THR 70 3HG2 THR 70 1.791 11.814 -10.818 593 HG22 THR 70 1HG2 THR 70 0.578 13.082 -10.639 594 HG23 THR 70 2HG2 THR 70 0.161 11.406 -10.281 595 H ASP 71 H ASP 71 -0.749 9.522 -6.884 596 HA ASP 71 HA ASP 71 -3.164 11.147 -7.356 597 HB2 ASP 71 1HB ASP 71 -2.509 8.408 -8.188 598 HB3 ASP 71 2HB ASP 71 -4.072 8.550 -7.391 599 HA PRO 72 HA PRO 72 -4.447 10.571 -3.171 600 HB2 PRO 72 1HB PRO 72 -7.032 9.682 -3.384 601 HB3 PRO 72 2HB PRO 72 -6.546 11.362 -3.629 602 HG2 PRO 72 1HG PRO 72 -7.070 9.224 -5.656 603 HG3 PRO 72 2HG PRO 72 -7.549 10.932 -5.679 604 HD2 PRO 72 1HD PRO 72 -5.457 10.034 -7.101 605 HD3 PRO 72 2HD PRO 72 -5.451 11.642 -6.349 606 HA PRO 73 HA PRO 73 -4.065 6.427 -1.665 607 HB2 PRO 73 1HB PRO 73 -6.038 6.206 0.228 608 HB3 PRO 73 2HB PRO 73 -4.515 7.064 0.484 609 HG2 PRO 73 1HG PRO 73 -7.205 8.153 -0.248 610 HG3 PRO 73 2HG PRO 73 -6.020 8.781 0.914 611 HD2 PRO 73 1HD PRO 73 -6.297 9.854 -1.530 612 HD3 PRO 73 2HD PRO 73 -4.708 9.729 -0.746 613 H PHE 74 H PHE 74 -5.460 4.373 -1.058 614 HA PHE 74 HA PHE 74 -7.785 4.124 -2.821 615 HB2 PHE 74 1HB PHE 74 -5.173 2.775 -3.167 616 HB3 PHE 74 2HB PHE 74 -6.593 1.745 -3.325 617 HD1 PHE 74 HD2 PHE 74 -8.501 2.768 -4.853 618 HD2 PHE 74 HD1 PHE 74 -4.383 3.823 -5.044 619 HE1 PHE 74 HE2 PHE 74 -8.813 3.550 -7.164 620 HE2 PHE 74 HE1 PHE 74 -4.688 4.608 -7.355 621 HZ PHE 74 HZ PHE 74 -6.904 4.471 -8.419 622 H ARG 75 H ARG 75 -9.053 2.175 -2.398 623 HA ARG 75 HA ARG 75 -8.549 0.456 -0.238 624 HB2 ARG 75 1HB ARG 75 -10.036 1.307 1.437 625 HB3 ARG 75 2HB ARG 75 -8.882 2.557 1.037 626 HG2 ARG 75 1HG ARG 75 -11.735 2.417 0.078 627 HG3 ARG 75 2HG ARG 75 -11.109 3.480 1.337 628 HD2 ARG 75 1HD ARG 75 -9.517 4.383 -0.431 629 HD3 ARG 75 2HD ARG 75 -10.509 3.526 -1.610 630 HE ARG 75 HE ARG 75 -11.183 5.941 -0.192 631 HH11 ARG 75 1HH1 ARG 75 -12.448 3.185 -1.946 632 HH12 ARG 75 2HH1 ARG 75 -13.906 3.992 -2.411 633 HH21 ARG 75 1HH2 ARG 75 -13.112 7.001 -0.806 634 HH22 ARG 75 2HH2 ARG 75 -14.285 6.160 -1.764 635 H ILE 76 H ILE 76 -9.513 -1.314 -0.971 636 HA ILE 76 HA ILE 76 -12.321 -1.187 -1.795 637 HB ILE 76 HB ILE 76 -10.280 -2.668 -3.453 638 HG12 ILE 76 1HG1 ILE 76 -11.097 -0.771 -5.148 639 HG13 ILE 76 2HG1 ILE 76 -11.285 0.132 -3.649 640 HG21 ILE 76 1HG2 ILE 76 -13.228 -2.308 -3.560 641 HG22 ILE 76 2HG2 ILE 76 -12.248 -3.736 -3.890 642 HG23 ILE 76 3HG2 ILE 76 -12.343 -2.438 -5.080 643 HD11 ILE 76 3HD1 ILE 76 -9.005 -0.014 -5.107 644 HD12 ILE 76 1HD1 ILE 76 -8.729 -1.271 -3.902 645 HD13 ILE 76 2HD1 ILE 76 -9.079 0.379 -3.390 646 H GLU 77 H GLU 77 -13.451 -3.169 -1.621 647 HA GLU 77 HA GLU 77 -12.028 -5.377 -0.306 648 HB2 GLU 77 1HB GLU 77 -14.091 -5.659 1.153 649 HB3 GLU 77 2HB GLU 77 -13.047 -4.295 1.532 650 HG2 GLU 77 1HG GLU 77 -14.553 -2.757 0.521 651 HG3 GLU 77 2HG GLU 77 -15.523 -4.062 -0.159 652 H GLU 78 H GLU 78 -12.739 -7.427 -0.819 653 HA GLU 78 HA GLU 78 -15.049 -7.654 -2.618 654 HB2 GLU 78 1HB GLU 78 -12.319 -8.858 -3.065 655 HB3 GLU 78 2HB GLU 78 -13.753 -9.293 -3.986 656 HG2 GLU 78 1HG GLU 78 -13.841 -6.676 -4.373 657 HG3 GLU 78 2HG GLU 78 -12.112 -6.825 -4.068 658 H GLN 79 H GLN 79 -16.076 -9.694 -2.678 659 HA GLN 79 HA GLN 79 -15.363 -11.501 -0.462 660 HB2 GLN 79 1HB GLN 79 -17.724 -11.845 0.005 661 HB3 GLN 79 2HB GLN 79 -17.336 -10.135 0.117 662 HG2 GLN 79 1HG GLN 79 -19.231 -9.944 -1.084 663 HG3 GLN 79 2HG GLN 79 -18.124 -10.212 -2.429 664 HE21 GLN 79 2HE2 GLN 79 -20.387 -11.809 -0.250 665 HE22 GLN 79 1HE2 GLN 79 -20.794 -13.099 -1.325 666 H GLY 80 H GLY 80 -16.815 -13.608 -0.733 667 HA2 GLY 80 1HA GLY 80 -17.529 -15.376 -2.070 668 HA3 GLY 80 2HA GLY 80 -17.131 -14.431 -3.497 669 H TRP 81 H TRP 81 -15.253 -14.808 -4.533 670 HA TRP 81 HA TRP 81 -13.353 -16.640 -3.228 671 HB2 TRP 81 1HB TRP 81 -12.922 -17.678 -5.392 672 HB3 TRP 81 2HB TRP 81 -14.630 -17.790 -4.988 673 HD1 TRP 81 HD1 TRP 81 -16.235 -15.858 -6.281 674 HE1 TRP 81 HE1 TRP 81 -16.040 -15.002 -8.701 675 HE3 TRP 81 HE3 TRP 81 -11.404 -17.228 -7.239 676 HZ2 TRP 81 HZ2 TRP 81 -14.093 -14.925 -10.749 677 HZ3 TRP 81 HZ3 TRP 81 -10.449 -16.728 -9.450 678 HH2 TRP 81 HH2 TRP 81 -11.768 -15.600 -11.168 679 H GLY 82 H GLY 82 -11.555 -15.595 -2.770 680 HA2 GLY 82 1HA GLY 82 -10.030 -14.290 -4.809 681 HA3 GLY 82 2HA GLY 82 -10.705 -13.145 -3.664 682 H GLY 83 H GLY 83 -8.050 -15.014 -4.357 683 HA2 GLY 83 1HA GLY 83 -6.816 -14.405 -1.842 684 HA3 GLY 83 2HA GLY 83 -7.152 -16.116 -2.014 685 H PHE 84 H PHE 84 -5.039 -13.566 -2.783 686 HA PHE 84 HA PHE 84 -3.239 -15.421 -4.113 687 HB2 PHE 84 1HB PHE 84 -3.440 -12.836 -5.534 688 HB3 PHE 84 2HB PHE 84 -3.145 -14.447 -6.167 689 HD1 PHE 84 HD2 PHE 84 -5.803 -12.169 -4.953 690 HD2 PHE 84 HD1 PHE 84 -4.868 -15.685 -7.162 691 HE1 PHE 84 HE2 PHE 84 -8.119 -12.258 -5.784 692 HE2 PHE 84 HE1 PHE 84 -7.180 -15.777 -7.998 693 HZ PHE 84 HZ PHE 84 -8.809 -14.065 -7.308 694 HA PRO 85 HA PRO 85 0.069 -13.254 -2.174 695 HB2 PRO 85 1HB PRO 85 1.355 -12.759 -4.803 696 HB3 PRO 85 2HB PRO 85 1.975 -13.617 -3.388 697 HG2 PRO 85 1HG PRO 85 1.205 -14.960 -5.548 698 HG3 PRO 85 2HG PRO 85 0.847 -15.579 -3.924 699 HD2 PRO 85 1HD PRO 85 -0.957 -14.155 -5.850 700 HD3 PRO 85 2HD PRO 85 -1.296 -15.564 -4.823 701 H LEU 86 H LEU 86 1.437 -11.247 -2.202 702 HA LEU 86 HA LEU 86 0.249 -8.967 -3.595 703 HB2 LEU 86 1HB LEU 86 0.749 -8.901 -0.623 704 HB3 LEU 86 2HB LEU 86 -0.024 -7.673 -1.601 705 HG LEU 86 HG LEU 86 -1.762 -9.643 -2.045 706 HD11 LEU 86 1HD1 LEU 86 -0.576 -11.318 -0.774 707 HD12 LEU 86 2HD1 LEU 86 -2.095 -10.930 0.023 708 HD13 LEU 86 3HD1 LEU 86 -0.584 -10.285 0.652 709 HD21 LEU 86 3HD2 LEU 86 -1.730 -8.022 0.499 710 HD22 LEU 86 1HD2 LEU 86 -3.144 -8.704 -0.301 711 HD23 LEU 86 2HD2 LEU 86 -2.227 -7.418 -1.081 712 H ASP 87 H ASP 87 1.636 -7.016 -3.459 713 HA ASP 87 HA ASP 87 4.322 -7.331 -2.460 714 HB2 ASP 87 1HB ASP 87 4.456 -8.530 -4.617 715 HB3 ASP 87 2HB ASP 87 3.896 -7.081 -5.447 716 H ILE 88 H ILE 88 4.654 -5.437 -1.510 717 HA ILE 88 HA ILE 88 3.793 -2.997 -2.925 718 HB ILE 88 HB ILE 88 2.520 -3.225 -0.885 719 HG12 ILE 88 1HG1 ILE 88 4.448 -1.182 0.039 720 HG13 ILE 88 2HG1 ILE 88 3.879 -0.993 -1.616 721 HG21 ILE 88 1HG2 ILE 88 3.988 -4.708 0.352 722 HG22 ILE 88 2HG2 ILE 88 3.584 -3.294 1.323 723 HG23 ILE 88 3HG2 ILE 88 5.164 -3.410 0.551 724 HD11 ILE 88 3HD1 ILE 88 2.578 -0.315 0.815 725 HD12 ILE 88 1HD1 ILE 88 1.622 -1.538 -0.022 726 HD13 ILE 88 2HD1 ILE 88 2.048 -0.037 -0.843 727 H SER 89 H SER 89 5.387 -1.758 -3.637 728 HA SER 89 HA SER 89 7.951 -1.765 -2.199 729 HB2 SER 89 1HB SER 89 8.534 -1.279 -4.912 730 HB3 SER 89 2HB SER 89 8.962 -2.698 -3.964 731 HG SER 89 HG SER 89 7.111 -3.713 -4.668 732 H VAL 90 H VAL 90 8.520 0.186 -1.565 733 HA VAL 90 HA VAL 90 7.297 2.527 -2.845 734 HB VAL 90 HB VAL 90 8.880 2.542 -0.279 735 HG11 VAL 90 1HG1 VAL 90 7.177 4.460 -1.751 736 HG12 VAL 90 2HG1 VAL 90 8.601 4.740 -0.749 737 HG13 VAL 90 3HG1 VAL 90 7.032 4.456 0.006 738 HG21 VAL 90 3HG2 VAL 90 7.293 1.315 0.686 739 HG22 VAL 90 1HG2 VAL 90 6.287 1.355 -0.763 740 HG23 VAL 90 2HG2 VAL 90 6.191 2.665 0.413 741 H PHE 91 H PHE 91 8.602 4.387 -3.340 742 HA PHE 91 HA PHE 91 11.485 4.060 -3.438 743 HB2 PHE 91 1HB PHE 91 9.736 4.227 -5.886 744 HB3 PHE 91 2HB PHE 91 11.385 4.831 -5.917 745 HD1 PHE 91 HD1 PHE 91 9.294 1.828 -5.525 746 HD2 PHE 91 HD2 PHE 91 13.242 3.344 -5.998 747 HE1 PHE 91 HE1 PHE 91 10.107 -0.445 -5.991 748 HE2 PHE 91 HE2 PHE 91 14.062 1.072 -6.464 749 HZ PHE 91 HZ PHE 91 12.495 -0.826 -6.460 750 H LEU 92 H LEU 92 12.574 6.101 -3.987 751 HA LEU 92 HA LEU 92 10.952 8.501 -4.029 752 HB2 LEU 92 1HB LEU 92 11.355 7.593 -1.603 753 HB3 LEU 92 2HB LEU 92 12.942 8.297 -1.809 754 HG LEU 92 HG LEU 92 11.038 10.261 -2.583 755 HD11 LEU 92 1HD1 LEU 92 9.767 8.548 -0.885 756 HD12 LEU 92 2HD1 LEU 92 9.382 10.257 -1.081 757 HD13 LEU 92 3HD1 LEU 92 10.439 9.735 0.230 758 HD21 LEU 92 3HD2 LEU 92 12.871 11.237 -1.725 759 HD22 LEU 92 1HD2 LEU 92 13.209 9.892 -0.638 760 HD23 LEU 92 2HD2 LEU 92 12.005 11.101 -0.196 761 H LEU 93 H LEU 93 12.718 10.450 -3.588 762 HA LEU 93 HA LEU 93 14.312 10.505 -5.886 763 HB2 LEU 93 1HB LEU 93 14.197 12.220 -3.422 764 HB3 LEU 93 2HB LEU 93 15.380 12.529 -4.678 765 HG LEU 93 HG LEU 93 13.590 12.887 -6.306 766 HD11 LEU 93 1HD1 LEU 93 11.871 11.442 -5.556 767 HD12 LEU 93 2HD1 LEU 93 11.237 13.084 -5.429 768 HD13 LEU 93 3HD1 LEU 93 11.793 12.240 -3.983 769 HD21 LEU 93 3HD2 LEU 93 13.007 15.022 -5.610 770 HD22 LEU 93 1HD2 LEU 93 14.466 14.688 -4.675 771 HD23 LEU 93 2HD2 LEU 93 12.879 14.544 -3.918 772 H GLU 94 H GLU 94 15.540 10.660 -2.524 773 HA GLU 94 HA GLU 94 18.075 9.548 -3.459 774 HB2 GLU 94 1HB GLU 94 17.201 11.094 -1.064 775 HB3 GLU 94 2HB GLU 94 18.598 10.036 -0.896 776 HG2 GLU 94 1HG GLU 94 19.546 12.062 -1.455 777 HG3 GLU 94 2HG GLU 94 19.476 11.226 -3.004 778 H LYS 95 H LYS 95 15.475 7.988 -2.981 779 HA LYS 95 HA LYS 95 14.845 5.953 -2.213 780 HB2 LYS 95 1HB LYS 95 17.702 5.273 -1.602 781 HB3 LYS 95 2HB LYS 95 16.431 4.240 -2.235 782 HG2 LYS 95 1HG LYS 95 18.020 6.328 -3.699 783 HG3 LYS 95 2HG LYS 95 17.969 4.589 -3.990 784 HD2 LYS 95 1HD LYS 95 15.632 6.464 -4.360 785 HD3 LYS 95 2HD LYS 95 16.689 5.910 -5.657 786 HE2 LYS 95 1HE LYS 95 15.389 3.880 -3.909 787 HE3 LYS 95 2HE LYS 95 14.408 4.699 -5.122 788 HZ1 LYS 95 3HZ LYS 95 15.487 3.685 -6.813 789 HZ2 LYS 95 1HZ LYS 95 15.761 2.499 -5.637 790 HZ3 LYS 95 2HZ LYS 95 16.971 3.622 -6.005 791 H ALA 96 H ALA 96 14.331 7.707 -0.363 792 HA ALA 96 HA ALA 96 15.643 7.177 2.148 793 HB1 ALA 96 3HB ALA 96 13.133 8.728 1.513 794 HB2 ALA 96 1HB ALA 96 14.752 9.395 1.728 795 HB3 ALA 96 2HB ALA 96 13.911 8.662 3.095 796 H GLY 97 H GLY 97 12.656 6.255 0.521 797 HA2 GLY 97 1HA GLY 97 12.167 4.315 2.687 798 HA3 GLY 97 2HA GLY 97 10.869 5.145 1.850 799 H GLU 98 H GLU 98 13.676 4.032 0.099 800 HA GLU 98 HA GLU 98 12.106 2.517 -1.698 801 HB2 GLU 98 1HB GLU 98 14.309 3.634 -2.207 802 HB3 GLU 98 2HB GLU 98 15.095 2.328 -1.329 803 HG2 GLU 98 1HG GLU 98 13.455 1.010 -3.113 804 HG3 GLU 98 2HG GLU 98 14.045 2.394 -4.029 805 H ARG 99 H ARG 99 10.961 0.954 -0.561 806 HA ARG 99 HA ARG 99 12.533 -1.386 0.215 807 HB2 ARG 99 1HB ARG 99 12.048 -0.067 2.271 808 HB3 ARG 99 2HB ARG 99 10.332 -0.242 1.940 809 HG2 ARG 99 1HG ARG 99 10.576 -1.952 3.399 810 HG3 ARG 99 2HG ARG 99 10.986 -2.814 1.917 811 HD2 ARG 99 1HD ARG 99 13.206 -2.932 2.434 812 HD3 ARG 99 2HD ARG 99 13.184 -1.431 3.359 813 HE ARG 99 HE ARG 99 12.691 -2.634 5.243 814 HH11 ARG 99 1HH1 ARG 99 12.168 -4.671 2.441 815 HH12 ARG 99 2HH1 ARG 99 11.919 -6.106 3.374 816 HH21 ARG 99 1HH2 ARG 99 12.355 -4.532 6.471 817 HH22 ARG 99 2HH2 ARG 99 12.024 -6.028 5.664 818 H LYS 100 H LYS 100 11.552 -3.343 -0.164 819 HA LYS 100 HA LYS 100 8.819 -3.291 -1.269 820 HB2 LYS 100 1HB LYS 100 10.494 -3.521 -3.079 821 HB3 LYS 100 2HB LYS 100 11.127 -4.958 -2.289 822 HG2 LYS 100 1HG LYS 100 8.905 -6.029 -2.562 823 HG3 LYS 100 2HG LYS 100 8.380 -4.614 -3.475 824 HD2 LYS 100 1HD LYS 100 9.077 -5.813 -5.251 825 HD3 LYS 100 2HD LYS 100 10.673 -5.224 -4.778 826 HE2 LYS 100 1HE LYS 100 9.420 -7.873 -4.060 827 HE3 LYS 100 2HE LYS 100 10.780 -7.605 -5.150 828 HZ1 LYS 100 3HZ LYS 100 10.743 -7.142 -2.214 829 HZ2 LYS 100 1HZ LYS 100 12.029 -6.719 -3.231 830 HZ3 LYS 100 2HZ LYS 100 11.601 -8.343 -3.042 831 H ILE 101 H ILE 101 7.487 -4.510 -0.089 832 HA ILE 101 HA ILE 101 8.566 -6.932 1.200 833 HB ILE 101 HB ILE 101 6.482 -5.143 2.448 834 HG12 ILE 101 1HG1 ILE 101 9.384 -5.391 3.260 835 HG13 ILE 101 2HG1 ILE 101 8.765 -4.074 2.271 836 HG21 ILE 101 1HG2 ILE 101 7.793 -7.699 3.205 837 HG22 ILE 101 2HG2 ILE 101 6.129 -7.167 3.439 838 HG23 ILE 101 3HG2 ILE 101 7.407 -6.551 4.487 839 HD11 ILE 101 3HD1 ILE 101 8.643 -3.074 4.290 840 HD12 ILE 101 1HD1 ILE 101 8.441 -4.596 5.158 841 HD13 ILE 101 2HD1 ILE 101 7.072 -3.875 4.311 842 HA PRO 102 HA PRO 102 4.987 -8.613 -0.932 843 HB2 PRO 102 1HB PRO 102 5.746 -11.169 -0.900 844 HB3 PRO 102 2HB PRO 102 6.583 -9.984 -1.908 845 HG2 PRO 102 1HG PRO 102 7.411 -11.182 0.695 846 HG3 PRO 102 2HG PRO 102 8.402 -10.753 -0.710 847 HD2 PRO 102 1HD PRO 102 8.079 -9.214 1.608 848 HD3 PRO 102 2HD PRO 102 8.739 -8.645 0.064 849 H HIS 103 H HIS 103 3.156 -9.872 -0.396 850 HA HIS 103 HA HIS 103 3.014 -10.977 2.313 851 HB2 HIS 103 1HB HIS 103 0.968 -9.037 1.211 852 HB3 HIS 103 2HB HIS 103 0.911 -9.827 2.782 853 HD1 HIS 103 HD1 HIS 103 2.589 -8.973 4.598 854 HD2 HIS 103 HD2 HIS 103 2.616 -6.802 1.054 855 HE1 HIS 103 HE1 HIS 103 3.844 -6.857 5.115 856 HE2 HIS 103 HE2 HIS 103 3.851 -5.558 2.954 857 H ASP 104 H ASP 104 0.790 -12.101 2.632 858 HA ASP 104 HA ASP 104 -0.037 -13.401 0.121 859 HB2 ASP 104 1HB ASP 104 0.826 -14.652 2.707 860 HB3 ASP 104 2HB ASP 104 -0.346 -15.481 1.688 861 H LEU 105 H LEU 105 -2.153 -13.299 -0.239 862 HA LEU 105 HA LEU 105 -3.946 -12.773 2.044 863 HB2 LEU 105 1HB LEU 105 -3.820 -10.909 0.485 864 HB3 LEU 105 2HB LEU 105 -4.208 -11.969 -0.854 865 HG LEU 105 HG LEU 105 -6.008 -10.384 0.261 866 HD11 LEU 105 1HD1 LEU 105 -7.563 -11.510 -0.941 867 HD12 LEU 105 2HD1 LEU 105 -7.061 -13.087 -0.332 868 HD13 LEU 105 3HD1 LEU 105 -6.116 -12.282 -1.586 869 HD21 LEU 105 3HD2 LEU 105 -5.586 -11.641 2.484 870 HD22 LEU 105 1HD2 LEU 105 -6.610 -12.891 1.775 871 HD23 LEU 105 2HD2 LEU 105 -7.239 -11.261 2.008 872 H ASN 106 H ASN 106 -4.522 -14.854 2.567 873 HA ASN 106 HA ASN 106 -6.631 -16.065 1.199 874 HB2 ASN 106 1HB ASN 106 -4.849 -16.605 -0.474 875 HB3 ASN 106 2HB ASN 106 -4.022 -17.539 0.767 876 HD21 ASN 106 2HD2 ASN 106 -7.383 -17.253 -0.390 877 HD22 ASN 106 1HD2 ASN 106 -7.631 -18.951 -0.580 878 H PHE 107 H PHE 107 -6.035 -15.421 3.865 879 HA PHE 107 HA PHE 107 -6.208 -18.082 5.080 880 HB2 PHE 107 1HB PHE 107 -4.539 -15.822 6.207 881 HB3 PHE 107 2HB PHE 107 -4.759 -17.410 6.929 882 HD1 PHE 107 HD1 PHE 107 -4.262 -19.358 5.009 883 HD2 PHE 107 HD2 PHE 107 -2.466 -15.508 5.299 884 HE1 PHE 107 HE1 PHE 107 -2.305 -20.181 3.766 885 HE2 PHE 107 HE2 PHE 107 -0.507 -16.327 4.057 886 HZ PHE 107 HZ PHE 107 -0.424 -18.664 3.288 887 H LEU 108 H LEU 108 -7.940 -18.274 6.326 888 HA LEU 108 HA LEU 108 -9.853 -16.321 6.695 889 HB2 LEU 108 1HB LEU 108 -10.819 -17.796 8.414 890 HB3 LEU 108 2HB LEU 108 -10.382 -18.656 6.951 891 HG LEU 108 HG LEU 108 -8.159 -18.784 8.729 892 HD11 LEU 108 1HD1 LEU 108 -10.818 -19.398 9.985 893 HD12 LEU 108 2HD1 LEU 108 -9.525 -18.369 10.604 894 HD13 LEU 108 3HD1 LEU 108 -9.307 -20.119 10.539 895 HD21 LEU 108 3HD2 LEU 108 -8.756 -20.381 6.948 896 HD22 LEU 108 1HD2 LEU 108 -10.134 -20.910 7.911 897 HD23 LEU 108 2HD2 LEU 108 -8.493 -21.164 8.506 898 H GLN 109 H GLN 109 -9.981 -14.587 7.922 899 HA GLN 109 HA GLN 109 -9.744 -13.119 9.636 900 HB2 GLN 109 1HB GLN 109 -9.774 -15.475 10.946 901 HB3 GLN 109 2HB GLN 109 -8.151 -14.938 11.355 902 HG2 GLN 109 1HG GLN 109 -9.276 -12.733 12.044 903 HG3 GLN 109 2HG GLN 109 -10.777 -13.658 12.009 904 HE21 GLN 109 2HE2 GLN 109 -7.486 -13.797 13.336 905 HE22 GLN 109 1HE2 GLN 109 -7.942 -14.504 14.844 906 H GLU 110 H GLU 110 -8.187 -12.537 7.729 907 HA GLU 110 HA GLU 110 -5.383 -12.607 8.487 908 HB2 GLU 110 1HB GLU 110 -5.910 -12.961 6.134 909 HB3 GLU 110 2HB GLU 110 -6.760 -11.429 6.069 910 HG2 GLU 110 1HG GLU 110 -4.892 -10.249 5.790 911 HG3 GLU 110 2HG GLU 110 -4.007 -11.183 6.994 912 H SER 111 H SER 111 -4.210 -10.916 9.151 913 HA SER 111 HA SER 111 -5.333 -8.240 9.214 914 HB2 SER 111 1HB SER 111 -5.066 -7.960 11.608 915 HB3 SER 111 2HB SER 111 -6.104 -9.357 11.313 916 HG SER 111 HG SER 111 -4.426 -10.707 11.825 917 H TYR 112 H TYR 112 -3.493 -8.529 7.567 918 HA TYR 112 HA TYR 112 -0.913 -7.972 8.869 919 HB2 TYR 112 1HB TYR 112 -1.585 -9.342 6.275 920 HB3 TYR 112 2HB TYR 112 0.004 -8.633 6.541 921 HD1 TYR 112 HD2 TYR 112 1.363 -9.451 8.529 922 HD2 TYR 112 HD1 TYR 112 -2.106 -11.470 7.117 923 HE1 TYR 112 HE2 TYR 112 2.079 -11.490 9.701 924 HE2 TYR 112 HE1 TYR 112 -1.400 -13.515 8.287 925 HH TYR 112 HH TYR 112 0.228 -13.917 10.486 926 H GLU 113 H GLU 113 -0.309 -5.948 8.758 927 HA GLU 113 HA GLU 113 -0.777 -4.403 6.341 928 HB2 GLU 113 1HB GLU 113 -1.971 -2.665 7.357 929 HB3 GLU 113 2HB GLU 113 -2.716 -4.125 7.975 930 HG2 GLU 113 1HG GLU 113 -0.668 -2.492 9.460 931 HG3 GLU 113 2HG GLU 113 -2.410 -2.383 9.687 932 H VAL 114 H VAL 114 0.848 -3.049 5.865 933 HA VAL 114 HA VAL 114 3.020 -2.809 7.833 934 HB VAL 114 HB VAL 114 3.207 -2.315 4.861 935 HG11 VAL 114 1HG1 VAL 114 4.951 -1.225 6.122 936 HG12 VAL 114 2HG1 VAL 114 5.629 -2.611 5.269 937 HG13 VAL 114 3HG1 VAL 114 5.297 -2.716 6.998 938 HG21 VAL 114 3HG2 VAL 114 4.290 -4.534 4.746 939 HG22 VAL 114 1HG2 VAL 114 2.584 -4.618 5.184 940 HG23 VAL 114 2HG2 VAL 114 3.823 -4.817 6.423 941 H GLU 115 H GLU 115 4.027 -0.852 8.235 942 HA GLU 115 HA GLU 115 2.809 1.561 7.099 943 HB2 GLU 115 1HB GLU 115 3.338 1.176 10.050 944 HB3 GLU 115 2HB GLU 115 2.648 2.603 9.285 945 HG2 GLU 115 1HG GLU 115 0.650 1.454 8.742 946 HG3 GLU 115 2HG GLU 115 1.353 -0.105 9.155 947 H HIS 116 H HIS 116 4.447 2.465 6.047 948 HA HIS 116 HA HIS 116 7.066 2.645 7.398 949 HB2 HIS 116 1HB HIS 116 6.325 1.895 4.670 950 HB3 HIS 116 2HB HIS 116 7.556 3.151 4.721 951 HD1 HIS 116 HD1 HIS 116 6.943 -0.392 5.878 952 HD2 HIS 116 HD2 HIS 116 10.076 2.293 5.390 953 HE1 HIS 116 HE1 HIS 116 9.040 -1.736 6.222 954 HE2 HIS 116 HE2 HIS 116 10.926 -0.098 5.887 955 H VAL 117 H VAL 117 8.035 4.621 7.588 956 HA VAL 117 HA VAL 117 6.504 6.935 6.584 957 HB VAL 117 HB VAL 117 6.486 6.764 9.033 958 HG11 VAL 117 1HG1 VAL 117 9.261 6.156 8.658 959 HG12 VAL 117 2HG1 VAL 117 8.279 6.025 10.116 960 HG13 VAL 117 3HG1 VAL 117 9.095 7.540 9.735 961 HG21 VAL 117 3HG2 VAL 117 6.641 9.000 9.326 962 HG22 VAL 117 1HG2 VAL 117 6.864 8.996 7.577 963 HG23 VAL 117 2HG2 VAL 117 8.264 9.087 8.644 964 H ILE 118 H ILE 118 7.546 8.587 5.561 965 HA ILE 118 HA ILE 118 10.458 8.371 5.189 966 HB ILE 118 HB ILE 118 8.539 9.136 2.987 967 HG12 ILE 118 1HG1 ILE 118 9.896 6.718 2.376 968 HG13 ILE 118 2HG1 ILE 118 9.194 6.524 3.977 969 HG21 ILE 118 1HG2 ILE 118 10.825 8.401 1.767 970 HG22 ILE 118 2HG2 ILE 118 11.468 9.050 3.276 971 HG23 ILE 118 3HG2 ILE 118 10.453 10.058 2.243 972 HD11 ILE 118 3HD1 ILE 118 7.707 5.752 2.195 973 HD12 ILE 118 1HD1 ILE 118 7.688 7.381 1.520 974 HD13 ILE 118 2HD1 ILE 118 7.006 7.081 3.118 975 H GLN 119 H GLN 119 11.296 10.147 6.119 976 HA GLN 119 HA GLN 119 9.941 12.725 5.651 977 HB2 GLN 119 1HB GLN 119 10.281 11.522 8.095 978 HB3 GLN 119 2HB GLN 119 11.677 12.585 8.015 979 HG2 GLN 119 1HG GLN 119 10.372 14.502 7.917 980 HG3 GLN 119 2HG GLN 119 8.938 13.615 7.402 981 HE21 GLN 119 2HE2 GLN 119 7.595 12.751 8.910 982 HE22 GLN 119 1HE2 GLN 119 7.807 12.945 10.613 983 H ILE 120 H ILE 120 11.154 14.407 4.930 984 HA ILE 120 HA ILE 120 14.017 14.427 5.143 985 HB ILE 120 HB ILE 120 13.747 12.874 3.269 986 HG12 ILE 120 1HG1 ILE 120 14.720 15.384 1.970 987 HG13 ILE 120 2HG1 ILE 120 15.544 14.807 3.416 988 HG21 ILE 120 1HG2 ILE 120 11.544 14.000 2.545 989 HG22 ILE 120 2HG2 ILE 120 12.600 13.319 1.310 990 HG23 ILE 120 3HG2 ILE 120 12.583 15.059 1.593 991 HD11 ILE 120 3HD1 ILE 120 15.577 12.541 2.105 992 HD12 ILE 120 1HD1 ILE 120 16.772 13.799 1.782 993 HD13 ILE 120 2HD1 ILE 120 15.387 13.601 0.708 994 HA PRO 121 HA PRO 121 11.746 18.528 4.525 995 HB2 PRO 121 1HB PRO 121 12.003 19.498 7.034 996 HB3 PRO 121 2HB PRO 121 10.647 18.476 6.547 997 HG2 PRO 121 1HG PRO 121 13.134 17.737 8.036 998 HG3 PRO 121 2HG PRO 121 11.460 17.230 8.330 999 HD2 PRO 121 1HD PRO 121 13.285 15.679 7.034 1000 HD3 PRO 121 2HD PRO 121 11.541 15.599 6.717 1001 H LEU 122 H LEU 122 13.023 20.004 3.609 1002 HA LEU 122 HA LEU 122 15.835 20.128 4.194 1003 HB2 LEU 122 1HB LEU 122 14.177 20.829 2.036 1004 HB3 LEU 122 2HB LEU 122 14.894 22.330 2.591 1005 HG LEU 122 HG LEU 122 16.798 20.104 2.300 1006 HD11 LEU 122 1HD1 LEU 122 15.213 21.136 -0.025 1007 HD12 LEU 122 2HD1 LEU 122 15.631 19.473 0.389 1008 HD13 LEU 122 3HD1 LEU 122 16.872 20.568 -0.222 1009 HD21 LEU 122 3HD2 LEU 122 17.125 22.681 0.899 1010 HD22 LEU 122 1HD2 LEU 122 18.262 21.774 1.895 1011 HD23 LEU 122 2HD2 LEU 122 17.014 22.760 2.656 1012 H ASN 123 H ASN 123 12.988 22.003 5.012 1013 HA ASN 123 HA ASN 123 14.680 23.709 6.710 1014 HB2 ASN 123 1HB ASN 123 13.169 24.580 4.513 1015 HB3 ASN 123 2HB ASN 123 12.231 25.038 5.929 1016 HD21 ASN 123 2HD2 ASN 123 15.210 25.476 4.198 1017 HD22 ASN 123 1HD2 ASN 123 15.733 26.883 5.054 Start of MODEL 14 1 H1 MET 1 1H MET 1 11.104 26.457 7.067 2 H2 MET 1 2H MET 1 10.888 27.326 5.605 3 H3 MET 1 3H MET 1 11.219 25.644 5.564 4 HA MET 1 HA MET 1 9.139 25.331 6.852 5 HB2 MET 1 1HB MET 1 7.501 27.132 6.725 6 HB3 MET 1 2HB MET 1 8.942 27.679 7.568 7 HG2 MET 1 1HG MET 1 9.015 28.225 4.705 8 HG3 MET 1 2HG MET 1 7.661 28.992 5.529 9 HE1 MET 1 3HE MET 1 7.701 30.254 7.412 10 HE2 MET 1 1HE MET 1 8.517 31.760 6.992 11 HE3 MET 1 2HE MET 1 9.091 30.797 8.354 12 H VAL 2 H VAL 2 10.047 26.853 3.791 13 HA VAL 2 HA VAL 2 7.834 25.641 2.384 14 HB VAL 2 HB VAL 2 8.698 27.843 1.673 15 HG11 VAL 2 1HG1 VAL 2 10.816 28.268 1.028 16 HG12 VAL 2 2HG1 VAL 2 11.017 26.692 0.269 17 HG13 VAL 2 3HG1 VAL 2 11.182 26.855 2.015 18 HG21 VAL 2 3HG2 VAL 2 9.171 26.898 -0.834 19 HG22 VAL 2 1HG2 VAL 2 7.572 27.096 -0.119 20 HG23 VAL 2 2HG2 VAL 2 8.361 25.522 -0.089 21 H ALA 3 H ALA 3 11.282 25.004 2.823 22 HA ALA 3 HA ALA 3 11.170 22.759 0.958 23 HB1 ALA 3 3HB ALA 3 13.182 23.852 0.658 24 HB2 ALA 3 1HB ALA 3 13.645 22.553 1.758 25 HB3 ALA 3 2HB ALA 3 13.382 24.181 2.380 26 H THR 4 H THR 4 9.673 21.473 2.185 27 HA THR 4 HA THR 4 11.026 19.850 4.190 28 HB THR 4 HB THR 4 9.883 21.458 5.577 29 HG1 THR 4 HG1 THR 4 8.197 19.194 5.595 30 HG21 THR 4 3HG2 THR 4 7.235 20.696 4.410 31 HG22 THR 4 1HG2 THR 4 8.161 22.060 3.785 32 HG23 THR 4 2HG2 THR 4 7.640 22.046 5.469 33 H VAL 5 H VAL 5 10.380 17.726 4.213 34 HA VAL 5 HA VAL 5 8.144 16.978 2.457 35 HB VAL 5 HB VAL 5 10.778 15.499 2.495 36 HG11 VAL 5 1HG1 VAL 5 8.351 14.566 1.787 37 HG12 VAL 5 2HG1 VAL 5 9.862 14.020 1.062 38 HG13 VAL 5 3HG1 VAL 5 8.886 15.246 0.251 39 HG21 VAL 5 3HG2 VAL 5 9.980 17.884 1.008 40 HG22 VAL 5 1HG2 VAL 5 10.533 16.565 -0.021 41 HG23 VAL 5 2HG2 VAL 5 11.577 17.185 1.255 42 H LYS 6 H LYS 6 6.718 15.814 3.555 43 HA LYS 6 HA LYS 6 7.673 13.837 5.497 44 HB2 LYS 6 1HB LYS 6 5.376 15.737 6.033 45 HB3 LYS 6 2HB LYS 6 5.957 14.472 7.108 46 HG2 LYS 6 1HG LYS 6 8.229 15.859 6.812 47 HG3 LYS 6 2HG LYS 6 7.060 17.158 6.560 48 HD2 LYS 6 1HD LYS 6 5.987 16.595 8.695 49 HD3 LYS 6 2HD LYS 6 7.171 15.310 8.945 50 HE2 LYS 6 1HE LYS 6 8.787 17.444 8.466 51 HE3 LYS 6 2HE LYS 6 7.430 18.217 9.287 52 HZ1 LYS 6 3HZ LYS 6 7.727 16.835 11.165 53 HZ2 LYS 6 1HZ LYS 6 9.265 17.415 10.762 54 HZ3 LYS 6 2HZ LYS 6 8.826 15.830 10.364 55 H ARG 7 H ARG 7 7.102 12.013 4.484 56 HA ARG 7 HA ARG 7 4.284 11.694 3.705 57 HB2 ARG 7 1HB ARG 7 6.638 10.613 2.146 58 HB3 ARG 7 2HB ARG 7 4.940 10.416 1.738 59 HG2 ARG 7 1HG ARG 7 4.769 12.486 0.859 60 HG3 ARG 7 2HG ARG 7 5.889 13.194 2.023 61 HD2 ARG 7 1HD ARG 7 7.586 13.023 0.598 62 HD3 ARG 7 2HD ARG 7 7.250 11.316 0.312 63 HE ARG 7 HE ARG 7 5.383 12.494 -1.197 64 HH11 ARG 7 1HH1 ARG 7 8.824 13.082 -0.920 65 HH12 ARG 7 2HH1 ARG 7 8.982 13.650 -2.548 66 HH21 ARG 7 1HH2 ARG 7 5.600 13.242 -3.342 67 HH22 ARG 7 2HH2 ARG 7 7.154 13.741 -3.922 68 H THR 8 H THR 8 3.819 9.272 3.288 69 HA THR 8 HA THR 8 5.337 7.285 4.589 70 HB THR 8 HB THR 8 4.766 8.276 6.672 71 HG1 THR 8 HG1 THR 8 3.920 6.556 7.578 72 HG21 THR 8 3HG2 THR 8 2.910 9.707 5.833 73 HG22 THR 8 1HG2 THR 8 2.590 8.920 7.380 74 HG23 THR 8 2HG2 THR 8 1.860 8.292 5.904 75 H ILE 9 H ILE 9 4.558 5.247 4.137 76 HA ILE 9 HA ILE 9 2.057 5.164 2.584 77 HB ILE 9 HB ILE 9 4.063 4.546 1.295 78 HG12 ILE 9 1HG1 ILE 9 3.075 1.955 1.062 79 HG13 ILE 9 2HG1 ILE 9 1.714 2.871 1.698 80 HG21 ILE 9 1HG2 ILE 9 5.414 2.676 1.783 81 HG22 ILE 9 2HG2 ILE 9 4.322 2.123 3.051 82 HG23 ILE 9 3HG2 ILE 9 5.280 3.583 3.287 83 HD11 ILE 9 3HD1 ILE 9 2.460 2.661 -0.940 84 HD12 ILE 9 1HD1 ILE 9 3.049 4.255 -0.469 85 HD13 ILE 9 2HD1 ILE 9 1.346 3.845 -0.258 86 H ARG 10 H ARG 10 0.397 4.272 3.561 87 HA ARG 10 HA ARG 10 0.874 2.107 5.501 88 HB2 ARG 10 1HB ARG 10 -1.194 4.309 5.652 89 HB3 ARG 10 2HB ARG 10 -1.087 2.951 6.765 90 HG2 ARG 10 1HG ARG 10 0.713 3.805 7.853 91 HG3 ARG 10 2HG ARG 10 1.341 4.615 6.416 92 HD2 ARG 10 1HD ARG 10 -0.519 6.255 6.601 93 HD3 ARG 10 2HD ARG 10 -0.994 5.486 8.113 94 HE ARG 10 HE ARG 10 1.206 7.283 7.697 95 HH11 ARG 10 1HH1 ARG 10 -0.033 4.721 9.733 96 HH12 ARG 10 2HH1 ARG 10 0.889 5.207 11.115 97 HH21 ARG 10 1HH2 ARG 10 2.419 7.921 9.521 98 HH22 ARG 10 2HH2 ARG 10 2.280 7.023 10.997 99 H ILE 11 H ILE 11 0.032 0.249 4.819 100 HA ILE 11 HA ILE 11 -2.435 0.322 3.205 101 HB ILE 11 HB ILE 11 -1.626 -1.772 2.093 102 HG12 ILE 11 1HG1 ILE 11 1.193 -1.173 2.660 103 HG13 ILE 11 2HG1 ILE 11 0.308 -1.774 4.056 104 HG21 ILE 11 1HG2 ILE 11 -0.904 -0.511 0.398 105 HG22 ILE 11 2HG2 ILE 11 0.460 0.111 1.325 106 HG23 ILE 11 3HG2 ILE 11 -1.129 0.860 1.485 107 HD11 ILE 11 3HD1 ILE 11 -0.321 -3.379 1.782 108 HD12 ILE 11 1HD1 ILE 11 0.460 -3.841 3.295 109 HD13 ILE 11 2HD1 ILE 11 1.430 -3.243 1.948 110 H LYS 12 H LYS 12 -4.101 -0.869 3.939 111 HA LYS 12 HA LYS 12 -3.578 -2.698 6.184 112 HB2 LYS 12 1HB LYS 12 -5.906 -0.950 5.480 113 HB3 LYS 12 2HB LYS 12 -6.157 -2.376 6.478 114 HG2 LYS 12 1HG LYS 12 -4.633 -1.544 8.141 115 HG3 LYS 12 2HG LYS 12 -4.207 -0.172 7.117 116 HD2 LYS 12 1HD LYS 12 -7.078 -0.551 7.730 117 HD3 LYS 12 2HD LYS 12 -6.039 -0.028 9.059 118 HE2 LYS 12 1HE LYS 12 -5.206 1.810 7.601 119 HE3 LYS 12 2HE LYS 12 -6.391 1.328 6.389 120 HZ1 LYS 12 3HZ LYS 12 -7.963 1.598 8.510 121 HZ2 LYS 12 1HZ LYS 12 -7.623 2.870 7.447 122 HZ3 LYS 12 2HZ LYS 12 -6.775 2.737 8.903 123 H THR 13 H THR 13 -4.098 -4.793 6.043 124 HA THR 13 HA THR 13 -5.740 -5.654 3.761 125 HB THR 13 HB THR 13 -3.350 -7.243 4.666 126 HG1 THR 13 HG1 THR 13 -2.394 -5.411 3.974 127 HG21 THR 13 3HG2 THR 13 -3.959 -7.354 1.867 128 HG22 THR 13 1HG2 THR 13 -5.380 -7.768 2.826 129 HG23 THR 13 2HG2 THR 13 -3.875 -8.654 3.054 130 H GLN 14 H GLN 14 -7.547 -6.340 4.745 131 HA GLN 14 HA GLN 14 -7.274 -8.204 7.012 132 HB2 GLN 14 1HB GLN 14 -8.435 -6.028 7.491 133 HB3 GLN 14 2HB GLN 14 -9.678 -6.501 6.341 134 HG2 GLN 14 1HG GLN 14 -9.027 -8.354 8.572 135 HG3 GLN 14 2HG GLN 14 -9.966 -6.903 8.919 136 HE21 GLN 14 2HE2 GLN 14 -10.811 -9.646 9.120 137 HE22 GLN 14 1HE2 GLN 14 -12.149 -9.837 8.044 138 H GLN 15 H GLN 15 -8.263 -10.196 6.896 139 HA GLN 15 HA GLN 15 -10.037 -10.727 4.618 140 HB2 GLN 15 1HB GLN 15 -7.653 -11.361 4.070 141 HB3 GLN 15 2HB GLN 15 -7.760 -12.567 5.343 142 HG2 GLN 15 1HG GLN 15 -9.855 -13.377 4.045 143 HG3 GLN 15 2HG GLN 15 -9.153 -12.475 2.705 144 HE21 GLN 15 2HE2 GLN 15 -6.407 -13.056 3.596 145 HE22 GLN 15 1HE2 GLN 15 -6.127 -14.698 3.157 146 H HIS 16 H HIS 16 -11.429 -12.543 4.854 147 HA HIS 16 HA HIS 16 -11.399 -13.979 7.389 148 HB2 HIS 16 1HB HIS 16 -12.695 -11.878 7.810 149 HB3 HIS 16 2HB HIS 16 -13.832 -12.381 6.567 150 HD1 HIS 16 HD1 HIS 16 -13.914 -12.131 9.948 151 HD2 HIS 16 HD2 HIS 16 -14.471 -15.403 7.450 152 HE1 HIS 16 HE1 HIS 16 -15.262 -13.778 11.289 153 HE2 HIS 16 HE2 HIS 16 -15.652 -15.717 9.729 154 H ILE 17 H ILE 17 -11.704 -16.064 6.874 155 HA ILE 17 HA ILE 17 -13.174 -16.696 4.416 156 HB ILE 17 HB ILE 17 -11.564 -18.588 6.137 157 HG12 ILE 17 1HG1 ILE 17 -10.694 -17.331 3.532 158 HG13 ILE 17 2HG1 ILE 17 -10.249 -16.668 5.100 159 HG21 ILE 17 1HG2 ILE 17 -11.624 -20.050 4.197 160 HG22 ILE 17 2HG2 ILE 17 -12.559 -18.853 3.301 161 HG23 ILE 17 3HG2 ILE 17 -13.262 -19.644 4.712 162 HD11 ILE 17 3HD1 ILE 17 -8.416 -17.939 4.643 163 HD12 ILE 17 1HD1 ILE 17 -9.339 -19.155 3.762 164 HD13 ILE 17 2HD1 ILE 17 -9.392 -19.113 5.524 165 H LEU 18 H LEU 18 -15.310 -16.732 4.842 166 HA LEU 18 HA LEU 18 -16.241 -18.630 6.883 167 HB2 LEU 18 1HB LEU 18 -16.404 -16.009 7.372 168 HB3 LEU 18 2HB LEU 18 -17.862 -16.180 6.420 169 HG LEU 18 HG LEU 18 -18.283 -16.326 8.844 170 HD11 LEU 18 1HD1 LEU 18 -18.866 -19.072 7.934 171 HD12 LEU 18 2HD1 LEU 18 -19.439 -17.762 6.900 172 HD13 LEU 18 3HD1 LEU 18 -19.939 -17.837 8.590 173 HD21 LEU 18 3HD2 LEU 18 -17.138 -19.031 9.046 174 HD22 LEU 18 1HD2 LEU 18 -17.232 -17.743 10.246 175 HD23 LEU 18 2HD2 LEU 18 -15.973 -17.707 9.011 176 HA PRO 19 HA PRO 19 -18.127 -19.620 2.787 177 HB2 PRO 19 1HB PRO 19 -18.087 -22.348 3.891 178 HB3 PRO 19 2HB PRO 19 -17.407 -21.738 2.379 179 HG2 PRO 19 1HG PRO 19 -15.845 -22.459 4.442 180 HG3 PRO 19 2HG PRO 19 -15.420 -21.117 3.365 181 HD2 PRO 19 1HD PRO 19 -16.616 -21.035 6.112 182 HD3 PRO 19 2HD PRO 19 -15.345 -20.015 5.405 183 H GLU 20 H GLU 20 -19.015 -21.494 5.707 184 HA GLU 20 HA GLU 20 -21.020 -22.097 6.589 185 HB2 GLU 20 1HB GLU 20 -20.984 -19.547 6.868 186 HB3 GLU 20 2HB GLU 20 -22.114 -19.502 5.521 187 HG2 GLU 20 1HG GLU 20 -23.818 -20.022 6.834 188 HG3 GLU 20 2HG GLU 20 -22.960 -21.409 7.502 189 H VAL 21 H VAL 21 -20.488 -22.681 3.672 190 HA VAL 21 HA VAL 21 -23.276 -23.213 2.894 191 HB VAL 21 HB VAL 21 -22.319 -21.472 1.444 192 HG11 VAL 21 1HG1 VAL 21 -20.435 -23.312 0.117 193 HG12 VAL 21 2HG1 VAL 21 -19.945 -22.715 1.702 194 HG13 VAL 21 3HG1 VAL 21 -20.317 -21.578 0.408 195 HG21 VAL 21 3HG2 VAL 21 -23.973 -22.928 0.482 196 HG22 VAL 21 1HG2 VAL 21 -22.748 -24.140 0.105 197 HG23 VAL 21 2HG2 VAL 21 -22.738 -22.589 -0.732 198 HA PRO 22 HA PRO 22 -22.213 -27.522 2.992 199 HB2 PRO 22 1HB PRO 22 -23.909 -27.676 0.545 200 HB3 PRO 22 2HB PRO 22 -23.984 -28.636 2.028 201 HG2 PRO 22 1HG PRO 22 -25.768 -26.717 1.568 202 HG3 PRO 22 2HG PRO 22 -25.118 -26.981 3.197 203 HD2 PRO 22 1HD PRO 22 -24.481 -24.837 1.223 204 HD3 PRO 22 2HD PRO 22 -24.572 -24.752 2.994 205 HA PRO 23 HA PRO 23 -18.928 -27.151 -0.140 206 HB2 PRO 23 1HB PRO 23 -17.286 -28.989 1.013 207 HB3 PRO 23 2HB PRO 23 -17.376 -27.305 1.536 208 HG2 PRO 23 1HG PRO 23 -18.663 -29.729 2.721 209 HG3 PRO 23 2HG PRO 23 -17.882 -28.362 3.537 210 HD2 PRO 23 1HD PRO 23 -20.573 -28.592 3.321 211 HD3 PRO 23 2HD PRO 23 -19.745 -27.022 3.348 212 H VAL 24 H VAL 24 -19.815 -28.071 -1.946 213 HA VAL 24 HA VAL 24 -19.143 -30.771 -2.527 214 HB VAL 24 HB VAL 24 -21.177 -31.166 -1.175 215 HG11 VAL 24 1HG1 VAL 24 -22.693 -29.734 -3.351 216 HG12 VAL 24 2HG1 VAL 24 -22.319 -29.039 -1.775 217 HG13 VAL 24 3HG1 VAL 24 -23.350 -30.464 -1.887 218 HG21 VAL 24 3HG2 VAL 24 -22.112 -31.910 -3.868 219 HG22 VAL 24 1HG2 VAL 24 -21.806 -32.913 -2.451 220 HG23 VAL 24 2HG2 VAL 24 -20.463 -32.389 -3.467 221 H GLU 25 H GLU 25 -18.478 -28.357 -3.724 222 HA GLU 25 HA GLU 25 -19.390 -28.826 -6.423 223 HB2 GLU 25 1HB GLU 25 -20.005 -26.411 -6.780 224 HB3 GLU 25 2HB GLU 25 -21.138 -27.336 -5.806 225 HG2 GLU 25 1HG GLU 25 -19.838 -26.373 -3.792 226 HG3 GLU 25 2HG GLU 25 -19.226 -25.200 -4.957 227 H ASN 26 H ASN 26 -17.611 -26.516 -4.359 228 HA ASN 26 HA ASN 26 -15.164 -26.955 -5.773 229 HB2 ASN 26 1HB ASN 26 -16.893 -24.917 -6.773 230 HB3 ASN 26 2HB ASN 26 -15.519 -24.123 -6.010 231 HD21 ASN 26 2HD2 ASN 26 -16.512 -24.805 -8.881 232 HD22 ASN 26 1HD2 ASN 26 -15.060 -25.317 -9.666 233 H PHE 27 H PHE 27 -13.618 -24.893 -5.044 234 HA PHE 27 HA PHE 27 -13.258 -25.236 -2.278 235 HB2 PHE 27 1HB PHE 27 -12.034 -23.572 -4.392 236 HB3 PHE 27 2HB PHE 27 -11.870 -22.948 -2.755 237 HD1 PHE 27 HD1 PHE 27 -10.854 -24.475 -0.991 238 HD2 PHE 27 HD2 PHE 27 -10.643 -25.285 -5.165 239 HE1 PHE 27 HE1 PHE 27 -8.965 -26.000 -0.597 240 HE2 PHE 27 HE2 PHE 27 -8.754 -26.811 -4.775 241 HZ PHE 27 HZ PHE 27 -7.911 -27.171 -2.490 242 HA PRO 28 HA PRO 28 -16.173 -22.506 -0.376 243 HB2 PRO 28 1HB PRO 28 -14.003 -21.929 1.570 244 HB3 PRO 28 2HB PRO 28 -15.639 -22.531 1.853 245 HG2 PRO 28 1HG PRO 28 -13.543 -24.157 2.047 246 HG3 PRO 28 2HG PRO 28 -15.067 -24.717 1.337 247 HD2 PRO 28 1HD PRO 28 -12.524 -23.920 -0.020 248 HD3 PRO 28 2HD PRO 28 -13.647 -25.238 -0.412 249 H VAL 29 H VAL 29 -16.384 -20.237 0.443 250 HA VAL 29 HA VAL 29 -14.810 -18.445 -1.257 251 HB VAL 29 HB VAL 29 -16.586 -16.747 -0.651 252 HG11 VAL 29 1HG1 VAL 29 -18.375 -18.190 -2.024 253 HG12 VAL 29 2HG1 VAL 29 -16.936 -19.169 -2.310 254 HG13 VAL 29 3HG1 VAL 29 -16.950 -17.466 -2.766 255 HG21 VAL 29 3HG2 VAL 29 -18.394 -17.248 0.612 256 HG22 VAL 29 1HG2 VAL 29 -17.289 -18.424 1.323 257 HG23 VAL 29 2HG2 VAL 29 -18.436 -18.931 0.083 258 H ARG 30 H ARG 30 -14.113 -16.361 -0.457 259 HA ARG 30 HA ARG 30 -13.711 -16.204 2.452 260 HB2 ARG 30 1HB ARG 30 -11.448 -15.370 0.696 261 HB3 ARG 30 2HB ARG 30 -11.422 -15.976 2.344 262 HG2 ARG 30 1HG ARG 30 -11.660 -18.218 1.632 263 HG3 ARG 30 2HG ARG 30 -12.067 -17.727 -0.013 264 HD2 ARG 30 1HD ARG 30 -9.620 -16.550 0.364 265 HD3 ARG 30 2HD ARG 30 -9.455 -18.054 1.267 266 HE ARG 30 HE ARG 30 -9.667 -17.750 -1.591 267 HH11 ARG 30 1HH1 ARG 30 -10.054 -19.953 1.105 268 HH12 ARG 30 2HH1 ARG 30 -9.874 -21.373 0.132 269 HH21 ARG 30 1HH2 ARG 30 -9.435 -19.628 -2.871 270 HH22 ARG 30 2HH2 ARG 30 -9.523 -21.188 -2.126 271 H GLN 31 H GLN 31 -12.972 -14.026 3.159 272 HA GLN 31 HA GLN 31 -14.022 -11.904 1.396 273 HB2 GLN 31 1HB GLN 31 -14.580 -12.550 4.206 274 HB3 GLN 31 2HB GLN 31 -14.174 -10.860 3.936 275 HG2 GLN 31 1HG GLN 31 -16.022 -10.485 2.613 276 HG3 GLN 31 2HG GLN 31 -16.202 -12.191 2.200 277 HE21 GLN 31 2HE2 GLN 31 -16.371 -9.976 4.966 278 HE22 GLN 31 1HE2 GLN 31 -17.669 -10.795 5.759 279 H TRP 32 H TRP 32 -12.908 -9.899 1.416 280 HA TRP 32 HA TRP 32 -10.501 -9.623 2.986 281 HB2 TRP 32 1HB TRP 32 -9.020 -9.368 1.004 282 HB3 TRP 32 2HB TRP 32 -9.636 -11.003 1.206 283 HD1 TRP 32 HD1 TRP 32 -11.883 -11.562 -0.433 284 HE1 TRP 32 HE1 TRP 32 -12.223 -10.902 -2.896 285 HE3 TRP 32 HE3 TRP 32 -8.505 -7.735 -0.722 286 HZ2 TRP 32 HZ2 TRP 32 -11.196 -9.008 -4.721 287 HZ3 TRP 32 HZ3 TRP 32 -8.246 -6.551 -2.862 288 HH2 TRP 32 HH2 TRP 32 -9.564 -7.175 -4.819 289 H SER 33 H SER 33 -9.499 -7.559 2.826 290 HA SER 33 HA SER 33 -10.820 -5.484 1.282 291 HB2 SER 33 1HB SER 33 -12.194 -5.447 3.257 292 HB3 SER 33 2HB SER 33 -10.781 -5.508 4.308 293 HG SER 33 HG SER 33 -12.003 -3.370 3.519 294 H ILE 34 H ILE 34 -9.219 -4.368 0.368 295 HA ILE 34 HA ILE 34 -6.737 -3.934 1.904 296 HB ILE 34 HB ILE 34 -6.378 -5.510 0.044 297 HG12 ILE 34 1HG1 ILE 34 -4.512 -4.267 -1.071 298 HG13 ILE 34 2HG1 ILE 34 -5.096 -2.790 -0.314 299 HG21 ILE 34 1HG2 ILE 34 -6.707 -3.443 -2.031 300 HG22 ILE 34 2HG2 ILE 34 -8.194 -4.085 -1.337 301 HG23 ILE 34 3HG2 ILE 34 -7.031 -5.175 -2.087 302 HD11 ILE 34 3HD1 ILE 34 -3.291 -4.674 0.716 303 HD12 ILE 34 1HD1 ILE 34 -4.756 -4.793 1.687 304 HD13 ILE 34 2HD1 ILE 34 -3.939 -3.240 1.512 305 H GLU 35 H GLU 35 -5.791 -1.908 1.832 306 HA GLU 35 HA GLU 35 -6.970 0.145 0.125 307 HB2 GLU 35 1HB GLU 35 -7.221 1.707 2.038 308 HB3 GLU 35 2HB GLU 35 -8.324 0.342 2.101 309 HG2 GLU 35 1HG GLU 35 -6.387 -0.675 3.593 310 HG3 GLU 35 2HG GLU 35 -6.053 1.035 3.869 311 H ILE 36 H ILE 36 -5.368 1.151 -0.837 312 HA ILE 36 HA ILE 36 -2.720 1.224 0.429 313 HB ILE 36 HB ILE 36 -3.469 1.816 -2.442 314 HG12 ILE 36 1HG1 ILE 36 -2.038 -0.467 -2.576 315 HG13 ILE 36 2HG1 ILE 36 -2.815 -0.705 -1.014 316 HG21 ILE 36 1HG2 ILE 36 -1.390 2.893 -1.612 317 HG22 ILE 36 2HG2 ILE 36 -1.126 1.735 -2.915 318 HG23 ILE 36 3HG2 ILE 36 -0.752 1.286 -1.252 319 HD11 ILE 36 3HD1 ILE 36 -4.948 -0.715 -1.952 320 HD12 ILE 36 1HD1 ILE 36 -3.968 -1.641 -3.087 321 HD13 ILE 36 2HD1 ILE 36 -4.395 0.032 -3.449 322 H VAL 37 H VAL 37 -2.369 3.038 1.589 323 HA VAL 37 HA VAL 37 -3.237 5.612 0.432 324 HB VAL 37 HB VAL 37 -3.031 5.004 3.382 325 HG11 VAL 37 1HG1 VAL 37 -3.897 7.403 1.809 326 HG12 VAL 37 2HG1 VAL 37 -2.754 7.304 3.148 327 HG13 VAL 37 3HG1 VAL 37 -4.482 7.129 3.449 328 HG21 VAL 37 3HG2 VAL 37 -5.687 5.524 2.259 329 HG22 VAL 37 1HG2 VAL 37 -5.175 4.351 3.470 330 HG23 VAL 37 2HG2 VAL 37 -4.965 3.996 1.757 331 H LEU 38 H LEU 38 -1.865 7.391 0.672 332 HA LEU 38 HA LEU 38 0.654 7.155 2.051 333 HB2 LEU 38 1HB LEU 38 2.083 7.433 0.137 334 HB3 LEU 38 2HB LEU 38 1.107 5.993 -0.077 335 HG LEU 38 HG LEU 38 -0.419 7.850 -1.367 336 HD11 LEU 38 1HD1 LEU 38 1.053 9.669 -1.246 337 HD12 LEU 38 2HD1 LEU 38 1.275 9.012 -2.868 338 HD13 LEU 38 3HD1 LEU 38 2.459 8.668 -1.607 339 HD21 LEU 38 3HD2 LEU 38 1.770 6.057 -2.395 340 HD22 LEU 38 1HD2 LEU 38 0.648 6.915 -3.450 341 HD23 LEU 38 2HD2 LEU 38 0.040 5.723 -2.303 342 H LEU 39 H LEU 39 2.036 9.200 1.613 343 HA LEU 39 HA LEU 39 0.235 11.515 1.303 344 HB2 LEU 39 1HB LEU 39 1.590 10.766 3.591 345 HB3 LEU 39 2HB LEU 39 2.629 11.997 2.900 346 HG LEU 39 HG LEU 39 0.707 13.561 2.854 347 HD11 LEU 39 1HD1 LEU 39 -1.327 13.009 4.068 348 HD12 LEU 39 2HD1 LEU 39 -0.721 11.380 4.370 349 HD13 LEU 39 3HD1 LEU 39 -1.082 11.894 2.723 350 HD21 LEU 39 3HD2 LEU 39 2.218 13.692 4.704 351 HD22 LEU 39 1HD2 LEU 39 1.431 12.336 5.509 352 HD23 LEU 39 2HD2 LEU 39 0.577 13.867 5.322 353 H ASP 40 H ASP 40 1.249 13.512 0.593 354 HA ASP 40 HA ASP 40 3.870 13.563 -0.500 355 HB2 ASP 40 1HB ASP 40 3.047 13.883 -2.915 356 HB3 ASP 40 2HB ASP 40 3.138 12.239 -2.294 357 H ASP 41 H ASP 41 0.601 14.922 -0.777 358 HA ASP 41 HA ASP 41 1.546 17.548 -1.429 359 HB2 ASP 41 1HB ASP 41 -0.821 16.260 -1.777 360 HB3 ASP 41 2HB ASP 41 -1.200 17.276 -0.390 361 H GLU 42 H GLU 42 1.796 15.967 1.427 362 HA GLU 42 HA GLU 42 0.881 18.060 3.192 363 HB2 GLU 42 1HB GLU 42 1.209 15.400 3.537 364 HB3 GLU 42 2HB GLU 42 2.719 15.983 4.218 365 HG2 GLU 42 1HG GLU 42 0.899 17.658 5.366 366 HG3 GLU 42 2HG GLU 42 -0.009 16.153 5.252 367 H GLY 43 H GLY 43 3.941 16.923 1.857 368 HA2 GLY 43 1HA GLY 43 5.235 19.266 3.097 369 HA3 GLY 43 2HA GLY 43 6.063 17.735 2.874 370 H LYS 44 H LYS 44 6.030 16.972 0.492 371 HA LYS 44 HA LYS 44 6.069 19.092 -1.470 372 HB2 LYS 44 1HB LYS 44 8.515 18.101 -0.195 373 HB3 LYS 44 2HB LYS 44 8.553 18.010 -1.951 374 HG2 LYS 44 1HG LYS 44 7.629 20.496 -1.685 375 HG3 LYS 44 2HG LYS 44 8.522 20.365 -0.169 376 HD2 LYS 44 1HD LYS 44 10.247 19.284 -2.043 377 HD3 LYS 44 2HD LYS 44 9.500 20.638 -2.895 378 HE2 LYS 44 1HE LYS 44 10.159 22.163 -1.161 379 HE3 LYS 44 2HE LYS 44 10.748 20.837 -0.158 380 HZ1 LYS 44 3HZ LYS 44 12.355 22.264 -1.655 381 HZ2 LYS 44 1HZ LYS 44 11.904 21.133 -2.829 382 HZ3 LYS 44 2HZ LYS 44 12.627 20.617 -1.388 383 H GLU 45 H GLU 45 4.888 18.135 -2.999 384 HA GLU 45 HA GLU 45 5.164 15.284 -3.506 385 HB2 GLU 45 1HB GLU 45 2.929 16.453 -3.365 386 HB3 GLU 45 2HB GLU 45 3.325 17.241 -4.886 387 HG2 GLU 45 1HG GLU 45 3.705 14.399 -5.094 388 HG3 GLU 45 2HG GLU 45 2.085 14.767 -4.511 389 H ILE 46 H ILE 46 7.507 16.455 -4.145 390 HA ILE 46 HA ILE 46 7.483 16.463 -7.093 391 HB ILE 46 HB ILE 46 9.396 18.076 -5.409 392 HG12 ILE 46 1HG1 ILE 46 7.904 19.937 -6.710 393 HG13 ILE 46 2HG1 ILE 46 6.683 18.706 -6.405 394 HG21 ILE 46 1HG2 ILE 46 9.930 19.173 -7.538 395 HG22 ILE 46 2HG2 ILE 46 8.821 18.080 -8.366 396 HG23 ILE 46 3HG2 ILE 46 10.264 17.442 -7.581 397 HD11 ILE 46 3HD1 ILE 46 8.292 19.233 -4.061 398 HD12 ILE 46 1HD1 ILE 46 6.541 19.261 -4.264 399 HD13 ILE 46 2HD1 ILE 46 7.499 20.685 -4.669 400 HA PRO 47 HA PRO 47 10.400 13.135 -6.522 401 HB2 PRO 47 1HB PRO 47 11.046 12.745 -9.110 402 HB3 PRO 47 2HB PRO 47 9.467 12.289 -8.462 403 HG2 PRO 47 1HG PRO 47 10.241 14.715 -10.032 404 HG3 PRO 47 2HG PRO 47 8.807 13.687 -10.197 405 HD2 PRO 47 1HD PRO 47 8.799 16.077 -8.883 406 HD3 PRO 47 2HD PRO 47 7.702 14.741 -8.488 407 H ALA 48 H ALA 48 12.669 12.587 -7.563 408 HA ALA 48 HA ALA 48 14.307 14.942 -8.048 409 HB1 ALA 48 3HB ALA 48 15.919 13.895 -6.211 410 HB2 ALA 48 1HB ALA 48 14.376 13.381 -5.527 411 HB3 ALA 48 2HB ALA 48 14.687 15.094 -5.811 412 H THR 49 H THR 49 14.513 11.460 -7.288 413 HA THR 49 HA THR 49 16.246 11.137 -9.648 414 HB THR 49 HB THR 49 17.474 9.366 -8.442 415 HG1 THR 49 HG1 THR 49 16.068 10.234 -6.142 416 HG21 THR 49 3HG2 THR 49 18.559 10.806 -6.671 417 HG22 THR 49 1HG2 THR 49 17.428 12.073 -7.154 418 HG23 THR 49 2HG2 THR 49 18.582 11.427 -8.321 419 H ILE 50 H ILE 50 14.237 9.293 -7.330 420 HA ILE 50 HA ILE 50 13.238 7.751 -9.626 421 HB ILE 50 HB ILE 50 12.642 6.066 -7.623 422 HG12 ILE 50 1HG1 ILE 50 15.393 6.980 -6.823 423 HG13 ILE 50 2HG1 ILE 50 13.964 7.677 -6.068 424 HG21 ILE 50 1HG2 ILE 50 14.859 6.295 -9.544 425 HG22 ILE 50 2HG2 ILE 50 13.674 5.008 -9.316 426 HG23 ILE 50 3HG2 ILE 50 15.076 5.114 -8.253 427 HD11 ILE 50 3HD1 ILE 50 13.485 5.785 -4.917 428 HD12 ILE 50 1HD1 ILE 50 15.228 5.574 -5.069 429 HD13 ILE 50 2HD1 ILE 50 14.139 4.726 -6.166 430 H PHE 51 H PHE 51 12.019 7.680 -6.299 431 HA PHE 51 HA PHE 51 9.967 8.057 -5.430 432 HB2 PHE 51 1HB PHE 51 10.411 10.352 -5.560 433 HB3 PHE 51 2HB PHE 51 10.292 10.377 -7.309 434 HD1 PHE 51 HD1 PHE 51 8.391 10.255 -4.163 435 HD2 PHE 51 HD2 PHE 51 8.159 10.713 -8.391 436 HE1 PHE 51 HE1 PHE 51 6.066 11.027 -3.949 437 HE2 PHE 51 HE2 PHE 51 5.834 11.484 -8.180 438 HZ PHE 51 HZ PHE 51 4.784 11.642 -5.958 439 H ASP 52 H ASP 52 8.812 6.279 -5.957 440 HA ASP 52 HA ASP 52 6.595 6.523 -7.685 441 HB2 ASP 52 1HB ASP 52 8.622 6.078 -9.280 442 HB3 ASP 52 2HB ASP 52 8.495 4.427 -8.689 443 H LYS 53 H LYS 53 5.039 5.236 -6.846 444 HA LYS 53 HA LYS 53 5.926 2.901 -5.283 445 HB2 LYS 53 1HB LYS 53 3.306 4.318 -4.864 446 HB3 LYS 53 2HB LYS 53 4.127 3.204 -3.783 447 HG2 LYS 53 1HG LYS 53 4.910 4.971 -2.707 448 HG3 LYS 53 2HG LYS 53 5.916 5.310 -4.116 449 HD2 LYS 53 1HD LYS 53 3.575 6.368 -4.933 450 HD3 LYS 53 2HD LYS 53 3.436 6.614 -3.191 451 HE2 LYS 53 1HE LYS 53 5.802 7.584 -3.336 452 HE3 LYS 53 2HE LYS 53 5.527 7.655 -5.074 453 HZ1 LYS 53 3HZ LYS 53 4.833 9.574 -3.291 454 HZ2 LYS 53 1HZ LYS 53 3.368 8.770 -3.545 455 HZ3 LYS 53 2HZ LYS 53 4.210 9.424 -4.855 456 H VAL 54 H VAL 54 5.142 0.951 -5.777 457 HA VAL 54 HA VAL 54 2.862 0.769 -7.627 458 HB VAL 54 HB VAL 54 5.267 -1.038 -7.861 459 HG11 VAL 54 1HG1 VAL 54 3.479 -0.483 -10.142 460 HG12 VAL 54 2HG1 VAL 54 2.769 -1.387 -8.806 461 HG13 VAL 54 3HG1 VAL 54 4.214 -1.996 -9.614 462 HG21 VAL 54 3HG2 VAL 54 5.584 0.424 -10.031 463 HG22 VAL 54 1HG2 VAL 54 6.295 0.914 -8.493 464 HG23 VAL 54 2HG2 VAL 54 4.795 1.656 -9.047 465 H ILE 55 H ILE 55 1.308 -0.400 -6.731 466 HA ILE 55 HA ILE 55 2.023 -2.416 -4.709 467 HB ILE 55 HB ILE 55 -0.697 -1.189 -5.153 468 HG12 ILE 55 1HG1 ILE 55 0.007 -0.012 -2.904 469 HG13 ILE 55 2HG1 ILE 55 1.638 -0.281 -3.510 470 HG21 ILE 55 1HG2 ILE 55 -0.670 -1.974 -2.587 471 HG22 ILE 55 2HG2 ILE 55 0.439 -3.162 -3.270 472 HG23 ILE 55 3HG2 ILE 55 -1.196 -3.011 -3.911 473 HD11 ILE 55 3HD1 ILE 55 0.322 1.938 -4.017 474 HD12 ILE 55 1HD1 ILE 55 -0.337 0.972 -5.335 475 HD13 ILE 55 2HD1 ILE 55 1.405 1.218 -5.204 476 H TYR 56 H TYR 56 1.191 -4.481 -4.791 477 HA TYR 56 HA TYR 56 -0.416 -5.236 -7.121 478 HB2 TYR 56 1HB TYR 56 1.943 -5.619 -7.728 479 HB3 TYR 56 2HB TYR 56 2.143 -6.632 -6.303 480 HD1 TYR 56 HD2 TYR 56 0.323 -6.369 -9.527 481 HD2 TYR 56 HD1 TYR 56 1.590 -8.919 -6.365 482 HE1 TYR 56 HE2 TYR 56 -0.393 -8.326 -10.828 483 HE2 TYR 56 HE1 TYR 56 0.877 -10.884 -7.659 484 HH TYR 56 HH TYR 56 0.573 -11.314 -10.340 485 H HIS 57 H HIS 57 -1.736 -7.012 -6.830 486 HA HIS 57 HA HIS 57 -1.569 -8.749 -4.587 487 HB2 HIS 57 1HB HIS 57 -3.612 -8.034 -3.427 488 HB3 HIS 57 2HB HIS 57 -2.395 -6.767 -3.406 489 HD1 HIS 57 HD1 HIS 57 -5.795 -6.892 -3.521 490 HD2 HIS 57 HD2 HIS 57 -3.032 -5.150 -6.091 491 HE1 HIS 57 HE1 HIS 57 -7.061 -5.107 -4.760 492 HE2 HIS 57 HE2 HIS 57 -5.397 -4.151 -6.395 493 H LEU 58 H LEU 58 -2.736 -10.582 -4.937 494 HA LEU 58 HA LEU 58 -4.192 -12.059 -5.883 495 HB2 LEU 58 1HB LEU 58 -5.493 -9.834 -7.426 496 HB3 LEU 58 2HB LEU 58 -6.184 -11.370 -6.941 497 HG LEU 58 HG LEU 58 -5.354 -9.451 -4.810 498 HD11 LEU 58 1HD1 LEU 58 -7.968 -9.238 -6.294 499 HD12 LEU 58 2HD1 LEU 58 -6.617 -8.117 -6.470 500 HD13 LEU 58 3HD1 LEU 58 -7.441 -8.268 -4.918 501 HD21 LEU 58 3HD2 LEU 58 -6.697 -10.682 -3.477 502 HD22 LEU 58 1HD2 LEU 58 -6.418 -11.914 -4.707 503 HD23 LEU 58 2HD2 LEU 58 -7.894 -10.952 -4.743 504 H HIS 59 H HIS 59 -4.268 -13.314 -7.775 505 HA HIS 59 HA HIS 59 -2.230 -12.615 -9.693 506 HB2 HIS 59 1HB HIS 59 -3.265 -15.039 -8.667 507 HB3 HIS 59 2HB HIS 59 -3.557 -15.047 -10.402 508 HD1 HIS 59 HD1 HIS 59 -0.521 -13.587 -8.656 509 HD2 HIS 59 HD2 HIS 59 -1.544 -16.691 -11.225 510 HE1 HIS 59 HE1 HIS 59 1.661 -14.612 -9.378 511 HE2 HIS 59 HE2 HIS 59 1.012 -16.535 -10.870 512 HA PRO 60 HA PRO 60 -6.163 -13.318 -12.686 513 HB2 PRO 60 1HB PRO 60 -8.037 -12.103 -10.710 514 HB3 PRO 60 2HB PRO 60 -8.336 -13.298 -11.974 515 HG2 PRO 60 1HG PRO 60 -8.120 -14.047 -9.434 516 HG3 PRO 60 2HG PRO 60 -7.432 -15.038 -10.730 517 HD2 PRO 60 1HD PRO 60 -6.076 -13.272 -8.761 518 HD3 PRO 60 2HD PRO 60 -5.499 -14.766 -9.526 519 H THR 61 H THR 61 -5.747 -10.640 -10.406 520 HA THR 61 HA THR 61 -6.673 -8.686 -12.312 521 HB THR 61 HB THR 61 -7.008 -8.435 -9.849 522 HG1 THR 61 HG1 THR 61 -6.955 -6.617 -11.343 523 HG21 THR 61 3HG2 THR 61 -5.290 -7.720 -8.408 524 HG22 THR 61 1HG2 THR 61 -4.123 -7.632 -9.725 525 HG23 THR 61 2HG2 THR 61 -4.720 -9.198 -9.181 526 H PHE 62 H PHE 62 -4.083 -10.482 -12.486 527 HA PHE 62 HA PHE 62 -1.817 -8.921 -12.522 528 HB2 PHE 62 1HB PHE 62 -0.842 -10.539 -13.990 529 HB3 PHE 62 2HB PHE 62 -1.901 -11.389 -12.886 530 HD1 PHE 62 HD2 PHE 62 -1.673 -10.064 -16.348 531 HD2 PHE 62 HD1 PHE 62 -3.617 -12.765 -13.693 532 HE1 PHE 62 HE2 PHE 62 -2.804 -11.124 -18.257 533 HE2 PHE 62 HE1 PHE 62 -4.747 -13.831 -15.598 534 HZ PHE 62 HZ PHE 62 -4.343 -13.011 -17.884 535 H ALA 63 H ALA 63 -4.431 -8.961 -14.851 536 HA ALA 63 HA ALA 63 -2.963 -7.450 -16.827 537 HB1 ALA 63 3HB ALA 63 -4.526 -8.909 -17.764 538 HB2 ALA 63 1HB ALA 63 -5.271 -7.319 -17.919 539 HB3 ALA 63 2HB ALA 63 -5.797 -8.419 -16.644 540 H ASN 64 H ASN 64 -4.008 -6.470 -13.924 541 HA ASN 64 HA ASN 64 -4.194 -3.726 -14.756 542 HB2 ASN 64 1HB ASN 64 -6.578 -4.993 -14.747 543 HB3 ASN 64 2HB ASN 64 -6.507 -4.482 -13.066 544 HD21 ASN 64 2HD2 ASN 64 -8.422 -3.256 -13.800 545 HD22 ASN 64 1HD2 ASN 64 -8.167 -1.688 -14.478 546 HA PRO 65 HA PRO 65 -2.317 -4.632 -10.532 547 HB2 PRO 65 1HB PRO 65 -0.073 -3.059 -11.607 548 HB3 PRO 65 2HB PRO 65 -0.061 -4.649 -10.838 549 HG2 PRO 65 1HG PRO 65 0.389 -4.346 -13.471 550 HG3 PRO 65 2HG PRO 65 -0.463 -5.759 -12.820 551 HD2 PRO 65 1HD PRO 65 -1.582 -3.317 -14.151 552 HD3 PRO 65 2HD PRO 65 -2.046 -5.021 -14.347 553 H ASN 66 H ASN 66 -1.255 -2.900 -9.040 554 HA ASN 66 HA ASN 66 -2.750 -0.392 -9.405 555 HB2 ASN 66 1HB ASN 66 -3.334 -1.768 -7.407 556 HB3 ASN 66 2HB ASN 66 -1.686 -1.558 -6.822 557 HD21 ASN 66 2HD2 ASN 66 -2.581 -0.571 -4.940 558 HD22 ASN 66 1HD2 ASN 66 -3.107 1.075 -4.978 559 H ARG 67 H ARG 67 -1.758 1.562 -9.267 560 HA ARG 67 HA ARG 67 1.107 1.648 -8.648 561 HB2 ARG 67 1HB ARG 67 -0.152 2.155 -11.244 562 HB3 ARG 67 2HB ARG 67 0.863 3.482 -10.697 563 HG2 ARG 67 1HG ARG 67 2.569 2.360 -11.566 564 HG3 ARG 67 2HG ARG 67 2.407 1.250 -10.205 565 HD2 ARG 67 1HD ARG 67 2.390 -0.116 -12.114 566 HD3 ARG 67 2HD ARG 67 0.702 0.007 -11.623 567 HE ARG 67 HE ARG 67 0.961 2.003 -13.430 568 HH11 ARG 67 1HH1 ARG 67 1.728 -1.412 -13.524 569 HH12 ARG 67 2HH1 ARG 67 1.481 -1.546 -15.231 570 HH21 ARG 67 1HH2 ARG 67 0.626 1.815 -15.684 571 HH22 ARG 67 2HH2 ARG 67 0.856 0.282 -16.456 572 H THR 68 H THR 68 1.849 3.628 -7.835 573 HA THR 68 HA THR 68 -0.198 5.680 -7.360 574 HB THR 68 HB THR 68 1.431 5.749 -5.097 575 HG1 THR 68 HG1 THR 68 1.515 3.707 -4.337 576 HG21 THR 68 3HG2 THR 68 -0.836 6.259 -4.855 577 HG22 THR 68 1HG2 THR 68 -0.610 4.760 -3.954 578 HG23 THR 68 2HG2 THR 68 -1.347 4.723 -5.556 579 H PHE 69 H PHE 69 0.417 7.604 -7.959 580 HA PHE 69 HA PHE 69 3.250 8.358 -7.831 581 HB2 PHE 69 1HB PHE 69 2.706 7.651 -10.154 582 HB3 PHE 69 2HB PHE 69 1.450 8.880 -10.212 583 HD1 PHE 69 HD1 PHE 69 2.032 11.250 -10.315 584 HD2 PHE 69 HD2 PHE 69 5.029 8.229 -10.346 585 HE1 PHE 69 HE1 PHE 69 3.676 12.895 -11.117 586 HE2 PHE 69 HE2 PHE 69 6.679 9.869 -11.147 587 HZ PHE 69 HZ PHE 69 6.002 12.206 -11.534 588 H THR 70 H THR 70 -0.015 9.586 -8.593 589 HA THR 70 HA THR 70 0.223 11.638 -6.576 590 HB THR 70 HB THR 70 1.373 12.669 -8.498 591 HG1 THR 70 HG1 THR 70 0.218 14.067 -7.188 592 HG21 THR 70 3HG2 THR 70 0.554 12.887 -10.586 593 HG22 THR 70 1HG2 THR 70 -1.126 12.920 -10.051 594 HG23 THR 70 2HG2 THR 70 -0.262 11.387 -10.149 595 H ASP 71 H ASP 71 -1.503 9.427 -6.854 596 HA ASP 71 HA ASP 71 -4.090 10.758 -7.322 597 HB2 ASP 71 1HB ASP 71 -4.988 8.526 -7.956 598 HB3 ASP 71 2HB ASP 71 -3.737 9.101 -9.051 599 HA PRO 72 HA PRO 72 -5.366 9.909 -3.186 600 HB2 PRO 72 1HB PRO 72 -7.848 8.708 -4.303 601 HB3 PRO 72 2HB PRO 72 -7.659 10.037 -3.154 602 HG2 PRO 72 1HG PRO 72 -8.365 10.509 -5.675 603 HG3 PRO 72 2HG PRO 72 -7.248 11.595 -4.826 604 HD2 PRO 72 1HD PRO 72 -6.664 9.497 -6.875 605 HD3 PRO 72 2HD PRO 72 -5.938 11.104 -6.668 606 HA PRO 73 HA PRO 73 -4.741 5.741 -1.863 607 HB2 PRO 73 1HB PRO 73 -7.347 5.726 -0.445 608 HB3 PRO 73 2HB PRO 73 -5.722 5.445 0.183 609 HG2 PRO 73 1HG PRO 73 -7.004 7.725 0.686 610 HG3 PRO 73 2HG PRO 73 -5.258 7.707 0.375 611 HD2 PRO 73 1HD PRO 73 -7.501 8.508 -1.438 612 HD3 PRO 73 2HD PRO 73 -5.891 9.231 -1.246 613 H PHE 74 H PHE 74 -5.591 3.507 -1.880 614 HA PHE 74 HA PHE 74 -7.781 3.150 -3.819 615 HB2 PHE 74 1HB PHE 74 -5.001 2.409 -4.090 616 HB3 PHE 74 2HB PHE 74 -6.025 0.981 -4.162 617 HD1 PHE 74 HD2 PHE 74 -8.330 1.626 -5.594 618 HD2 PHE 74 HD1 PHE 74 -4.405 3.170 -6.165 619 HE1 PHE 74 HE2 PHE 74 -8.872 2.126 -7.939 620 HE2 PHE 74 HE1 PHE 74 -4.941 3.674 -8.512 621 HZ PHE 74 HZ PHE 74 -7.178 3.150 -9.403 622 H ARG 75 H ARG 75 -9.191 2.721 -2.051 623 HA ARG 75 HA ARG 75 -8.664 0.273 -0.535 624 HB2 ARG 75 1HB ARG 75 -9.322 2.310 0.721 625 HB3 ARG 75 2HB ARG 75 -10.851 2.324 -0.146 626 HG2 ARG 75 1HG ARG 75 -11.694 0.563 1.022 627 HG3 ARG 75 2HG ARG 75 -10.107 -0.157 1.299 628 HD2 ARG 75 1HD ARG 75 -10.577 0.595 3.403 629 HD3 ARG 75 2HD ARG 75 -9.750 2.007 2.753 630 HE ARG 75 HE ARG 75 -11.687 3.175 2.987 631 HH11 ARG 75 1HH1 ARG 75 -12.491 -0.234 2.910 632 HH12 ARG 75 2HH1 ARG 75 -14.171 0.027 3.237 633 HH21 ARG 75 1HH2 ARG 75 -13.901 3.513 3.418 634 HH22 ARG 75 2HH2 ARG 75 -14.970 2.156 3.529 635 H ILE 76 H ILE 76 -9.406 -1.547 -1.390 636 HA ILE 76 HA ILE 76 -12.090 -1.567 -2.587 637 HB ILE 76 HB ILE 76 -9.803 -3.133 -3.781 638 HG12 ILE 76 1HG1 ILE 76 -10.368 -1.299 -5.688 639 HG13 ILE 76 2HG1 ILE 76 -10.648 -0.327 -4.247 640 HG21 ILE 76 1HG2 ILE 76 -11.716 -4.197 -4.453 641 HG22 ILE 76 2HG2 ILE 76 -11.543 -3.007 -5.741 642 HG23 ILE 76 3HG2 ILE 76 -12.681 -2.721 -4.426 643 HD11 ILE 76 3HD1 ILE 76 -8.261 -1.541 -3.689 644 HD12 ILE 76 1HD1 ILE 76 -8.466 0.089 -4.328 645 HD13 ILE 76 2HD1 ILE 76 -8.159 -1.255 -5.426 646 H GLU 77 H GLU 77 -13.297 -2.915 -1.420 647 HA GLU 77 HA GLU 77 -12.057 -5.383 -0.390 648 HB2 GLU 77 1HB GLU 77 -13.564 -5.263 1.542 649 HB3 GLU 77 2HB GLU 77 -12.525 -3.850 1.448 650 HG2 GLU 77 1HG GLU 77 -14.394 -2.591 0.430 651 HG3 GLU 77 2HG GLU 77 -15.426 -4.001 0.654 652 H GLU 78 H GLU 78 -13.235 -7.290 -0.524 653 HA GLU 78 HA GLU 78 -15.945 -7.285 -1.505 654 HB2 GLU 78 1HB GLU 78 -14.076 -7.109 -3.451 655 HB3 GLU 78 2HB GLU 78 -14.166 -8.857 -3.272 656 HG2 GLU 78 1HG GLU 78 -16.015 -8.912 -4.475 657 HG3 GLU 78 2HG GLU 78 -16.814 -7.826 -3.340 658 H GLN 79 H GLN 79 -16.757 -9.545 -1.848 659 HA GLN 79 HA GLN 79 -15.372 -11.451 -0.080 660 HB2 GLN 79 1HB GLN 79 -17.568 -12.232 0.695 661 HB3 GLN 79 2HB GLN 79 -17.320 -10.533 1.065 662 HG2 GLN 79 1HG GLN 79 -18.576 -10.362 -1.331 663 HG3 GLN 79 2HG GLN 79 -19.302 -11.823 -0.666 664 HE21 GLN 79 2HE2 GLN 79 -20.227 -11.654 1.508 665 HE22 GLN 79 1HE2 GLN 79 -20.952 -10.160 1.986 666 H GLY 80 H GLY 80 -16.261 -13.746 -0.401 667 HA2 GLY 80 1HA GLY 80 -17.119 -15.414 -1.861 668 HA3 GLY 80 2HA GLY 80 -17.010 -14.269 -3.192 669 H TRP 81 H TRP 81 -14.880 -13.765 -4.037 670 HA TRP 81 HA TRP 81 -12.996 -15.995 -3.641 671 HB2 TRP 81 1HB TRP 81 -13.586 -14.348 -6.103 672 HB3 TRP 81 2HB TRP 81 -12.221 -15.453 -5.981 673 HD1 TRP 81 HD1 TRP 81 -15.940 -15.998 -4.989 674 HE1 TRP 81 HE1 TRP 81 -16.771 -18.125 -6.166 675 HE3 TRP 81 HE3 TRP 81 -11.736 -17.140 -7.670 676 HZ2 TRP 81 HZ2 TRP 81 -15.782 -20.036 -7.991 677 HZ3 TRP 81 HZ3 TRP 81 -11.764 -19.138 -9.109 678 HH2 TRP 81 HH2 TRP 81 -13.747 -20.553 -9.264 679 H GLY 82 H GLY 82 -11.214 -15.441 -2.575 680 HA2 GLY 82 1HA GLY 82 -9.614 -13.214 -3.348 681 HA3 GLY 82 2HA GLY 82 -10.457 -12.886 -1.843 682 H GLY 83 H GLY 83 -8.031 -14.872 -3.410 683 HA2 GLY 83 1HA GLY 83 -6.668 -15.200 -0.890 684 HA3 GLY 83 2HA GLY 83 -7.302 -16.699 -1.545 685 H PHE 84 H PHE 84 -5.231 -13.928 -2.367 686 HA PHE 84 HA PHE 84 -3.408 -15.764 -3.725 687 HB2 PHE 84 1HB PHE 84 -4.857 -13.481 -4.996 688 HB3 PHE 84 2HB PHE 84 -3.218 -13.840 -5.522 689 HD1 PHE 84 HD2 PHE 84 -2.795 -16.402 -6.070 690 HD2 PHE 84 HD1 PHE 84 -6.598 -14.492 -6.090 691 HE1 PHE 84 HE2 PHE 84 -3.662 -18.152 -7.564 692 HE2 PHE 84 HE1 PHE 84 -7.472 -16.241 -7.584 693 HZ PHE 84 HZ PHE 84 -6.003 -18.073 -8.323 694 HA PRO 85 HA PRO 85 -0.109 -13.426 -1.972 695 HB2 PRO 85 1HB PRO 85 1.631 -13.065 -4.049 696 HB3 PRO 85 2HB PRO 85 1.410 -14.601 -3.205 697 HG2 PRO 85 1HG PRO 85 0.223 -13.677 -5.796 698 HG3 PRO 85 2HG PRO 85 0.936 -15.251 -5.391 699 HD2 PRO 85 1HD PRO 85 -1.720 -14.883 -5.446 700 HD3 PRO 85 2HD PRO 85 -0.957 -15.955 -4.254 701 H LEU 86 H LEU 86 1.256 -11.448 -2.123 702 HA LEU 86 HA LEU 86 0.135 -9.266 -3.719 703 HB2 LEU 86 1HB LEU 86 0.291 -9.342 -0.711 704 HB3 LEU 86 2HB LEU 86 0.193 -7.837 -1.605 705 HG LEU 86 HG LEU 86 -1.947 -9.074 -2.640 706 HD11 LEU 86 1HD1 LEU 86 -1.258 -10.568 -0.225 707 HD12 LEU 86 2HD1 LEU 86 -2.329 -10.994 -1.560 708 HD13 LEU 86 3HD1 LEU 86 -2.917 -9.971 -0.252 709 HD21 LEU 86 3HD2 LEU 86 -2.262 -7.825 0.052 710 HD22 LEU 86 1HD2 LEU 86 -3.213 -7.591 -1.413 711 HD23 LEU 86 2HD2 LEU 86 -1.609 -6.871 -1.278 712 H ASP 87 H ASP 87 1.501 -7.334 -3.701 713 HA ASP 87 HA ASP 87 4.166 -7.523 -2.604 714 HB2 ASP 87 1HB ASP 87 4.301 -8.830 -4.738 715 HB3 ASP 87 2HB ASP 87 3.842 -7.371 -5.609 716 H ILE 88 H ILE 88 4.380 -5.548 -1.732 717 HA ILE 88 HA ILE 88 3.444 -3.231 -3.305 718 HB ILE 88 HB ILE 88 3.702 -3.325 -0.297 719 HG12 ILE 88 1HG1 ILE 88 1.010 -3.111 -0.861 720 HG13 ILE 88 2HG1 ILE 88 1.560 -4.265 -2.072 721 HG21 ILE 88 1HG2 ILE 88 3.771 -1.098 -0.788 722 HG22 ILE 88 2HG2 ILE 88 2.024 -1.327 -0.723 723 HG23 ILE 88 3HG2 ILE 88 2.850 -1.281 -2.281 724 HD11 ILE 88 3HD1 ILE 88 0.868 -4.808 0.548 725 HD12 ILE 88 1HD1 ILE 88 2.631 -4.878 0.539 726 HD13 ILE 88 2HD1 ILE 88 1.702 -5.886 -0.571 727 H SER 89 H SER 89 4.958 -1.855 -3.967 728 HA SER 89 HA SER 89 7.495 -1.710 -2.476 729 HB2 SER 89 1HB SER 89 8.729 -1.542 -4.547 730 HB3 SER 89 2HB SER 89 7.729 -2.991 -4.614 731 HG SER 89 HG SER 89 7.800 -1.148 -6.400 732 H VAL 90 H VAL 90 8.171 0.282 -1.956 733 HA VAL 90 HA VAL 90 6.846 2.575 -3.250 734 HB VAL 90 HB VAL 90 7.668 2.452 -0.343 735 HG11 VAL 90 1HG1 VAL 90 6.976 4.607 -2.075 736 HG12 VAL 90 2HG1 VAL 90 7.374 4.652 -0.357 737 HG13 VAL 90 3HG1 VAL 90 5.704 4.421 -0.869 738 HG21 VAL 90 3HG2 VAL 90 5.006 2.613 -0.210 739 HG22 VAL 90 1HG2 VAL 90 5.867 1.073 -0.223 740 HG23 VAL 90 2HG2 VAL 90 5.150 1.696 -1.708 741 H PHE 91 H PHE 91 8.118 4.259 -3.862 742 HA PHE 91 HA PHE 91 10.952 4.227 -3.083 743 HB2 PHE 91 1HB PHE 91 9.870 4.590 -5.885 744 HB3 PHE 91 2HB PHE 91 11.536 4.904 -5.422 745 HD1 PHE 91 HD2 PHE 91 8.997 2.167 -5.216 746 HD2 PHE 91 HD1 PHE 91 13.078 3.241 -5.771 747 HE1 PHE 91 HE2 PHE 91 9.556 -0.189 -5.636 748 HE2 PHE 91 HE1 PHE 91 13.643 0.886 -6.195 749 HZ PHE 91 HZ PHE 91 11.884 -0.833 -6.127 750 H LEU 92 H LEU 92 12.016 6.299 -3.226 751 HA LEU 92 HA LEU 92 10.265 8.626 -3.511 752 HB2 LEU 92 1HB LEU 92 10.171 8.073 -1.159 753 HB3 LEU 92 2HB LEU 92 11.915 7.987 -1.068 754 HG LEU 92 HG LEU 92 10.730 10.058 -0.109 755 HD11 LEU 92 1HD1 LEU 92 12.704 11.238 -1.824 756 HD12 LEU 92 2HD1 LEU 92 13.247 9.663 -1.244 757 HD13 LEU 92 3HD1 LEU 92 12.768 10.909 -0.093 758 HD21 LEU 92 3HD2 LEU 92 10.538 10.633 -3.055 759 HD22 LEU 92 1HD2 LEU 92 10.470 11.881 -1.812 760 HD23 LEU 92 2HD2 LEU 92 9.240 10.619 -1.862 761 H LEU 93 H LEU 93 13.611 7.649 -2.702 762 HA LEU 93 HA LEU 93 14.599 9.294 -4.871 763 HB2 LEU 93 1HB LEU 93 14.375 10.745 -2.769 764 HB3 LEU 93 2HB LEU 93 15.695 9.800 -2.110 765 HG LEU 93 HG LEU 93 15.906 11.348 -4.692 766 HD11 LEU 93 1HD1 LEU 93 15.411 12.834 -2.766 767 HD12 LEU 93 2HD1 LEU 93 17.000 13.102 -3.481 768 HD13 LEU 93 3HD1 LEU 93 16.854 12.211 -1.966 769 HD21 LEU 93 3HD2 LEU 93 18.397 11.166 -3.832 770 HD22 LEU 93 1HD2 LEU 93 17.647 9.870 -4.763 771 HD23 LEU 93 2HD2 LEU 93 17.760 9.745 -3.007 772 H GLU 94 H GLU 94 15.623 7.449 -1.972 773 HA GLU 94 HA GLU 94 17.039 5.528 -3.508 774 HB2 GLU 94 1HB GLU 94 18.569 7.519 -3.691 775 HB3 GLU 94 2HB GLU 94 18.795 7.429 -1.949 776 HG2 GLU 94 1HG GLU 94 19.361 4.881 -2.688 777 HG3 GLU 94 2HG GLU 94 19.927 5.782 -4.092 778 H LYS 95 H LYS 95 17.515 7.108 -0.329 779 HA LYS 95 HA LYS 95 16.930 4.512 0.938 780 HB2 LYS 95 1HB LYS 95 18.573 5.098 2.702 781 HB3 LYS 95 2HB LYS 95 19.304 4.897 1.117 782 HG2 LYS 95 1HG LYS 95 20.307 6.845 1.471 783 HG3 LYS 95 2HG LYS 95 18.731 7.597 1.228 784 HD2 LYS 95 1HD LYS 95 18.308 7.294 3.684 785 HD3 LYS 95 2HD LYS 95 19.988 6.776 3.843 786 HE2 LYS 95 1HE LYS 95 19.188 9.420 2.646 787 HE3 LYS 95 2HE LYS 95 19.523 9.203 4.364 788 HZ1 LYS 95 3HZ LYS 95 21.552 8.214 2.526 789 HZ2 LYS 95 1HZ LYS 95 21.726 9.021 4.003 790 HZ3 LYS 95 2HZ LYS 95 21.374 9.895 2.600 791 H ALA 96 H ALA 96 15.286 7.005 0.396 792 HA ALA 96 HA ALA 96 14.743 8.019 3.064 793 HB1 ALA 96 3HB ALA 96 12.935 9.313 1.814 794 HB2 ALA 96 1HB ALA 96 13.645 8.655 0.340 795 HB3 ALA 96 2HB ALA 96 14.609 9.680 1.402 796 H GLY 97 H GLY 97 12.978 6.265 0.514 797 HA2 GLY 97 1HA GLY 97 11.491 4.821 2.568 798 HA3 GLY 97 2HA GLY 97 10.545 5.801 1.462 799 H GLU 98 H GLU 98 13.442 4.272 0.300 800 HA GLU 98 HA GLU 98 11.944 2.776 -1.636 801 HB2 GLU 98 1HB GLU 98 14.393 3.881 -1.697 802 HB3 GLU 98 2HB GLU 98 14.839 2.236 -1.261 803 HG2 GLU 98 1HG GLU 98 13.081 1.824 -3.305 804 HG3 GLU 98 2HG GLU 98 13.876 3.321 -3.794 805 H ARG 99 H ARG 99 10.716 1.356 -0.318 806 HA ARG 99 HA ARG 99 12.209 -1.030 0.472 807 HB2 ARG 99 1HB ARG 99 10.555 0.677 2.267 808 HB3 ARG 99 2HB ARG 99 10.447 -1.066 2.474 809 HG2 ARG 99 1HG ARG 99 13.195 -0.145 2.273 810 HG3 ARG 99 2HG ARG 99 12.320 0.608 3.607 811 HD2 ARG 99 1HD ARG 99 11.940 -1.409 4.671 812 HD3 ARG 99 2HD ARG 99 12.120 -2.345 3.189 813 HE ARG 99 HE ARG 99 14.375 -2.460 3.573 814 HH11 ARG 99 1HH1 ARG 99 13.019 0.021 5.641 815 HH12 ARG 99 2HH1 ARG 99 14.467 0.217 6.567 816 HH21 ARG 99 1HH2 ARG 99 16.284 -2.198 4.800 817 HH22 ARG 99 2HH2 ARG 99 16.322 -1.042 6.090 818 H LYS 100 H LYS 100 11.071 -2.955 0.303 819 HA LYS 100 HA LYS 100 8.361 -2.772 -0.846 820 HB2 LYS 100 1HB LYS 100 10.372 -4.881 -1.622 821 HB3 LYS 100 2HB LYS 100 8.850 -4.492 -2.411 822 HG2 LYS 100 1HG LYS 100 9.874 -2.228 -2.940 823 HG3 LYS 100 2HG LYS 100 11.414 -2.931 -2.440 824 HD2 LYS 100 1HD LYS 100 9.808 -4.491 -4.377 825 HD3 LYS 100 2HD LYS 100 10.523 -2.990 -4.970 826 HE2 LYS 100 1HE LYS 100 12.717 -3.802 -4.030 827 HE3 LYS 100 2HE LYS 100 11.936 -5.358 -3.759 828 HZ1 LYS 100 3HZ LYS 100 11.355 -5.220 -6.235 829 HZ2 LYS 100 1HZ LYS 100 12.952 -5.590 -5.815 830 HZ3 LYS 100 2HZ LYS 100 12.552 -4.026 -6.322 831 H ILE 101 H ILE 101 6.905 -4.439 -0.297 832 HA ILE 101 HA ILE 101 7.797 -6.487 1.566 833 HB ILE 101 HB ILE 101 7.274 -4.598 3.027 834 HG12 ILE 101 1HG1 ILE 101 5.496 -5.754 4.421 835 HG13 ILE 101 2HG1 ILE 101 5.352 -6.927 3.118 836 HG21 ILE 101 1HG2 ILE 101 5.377 -3.886 1.269 837 HG22 ILE 101 2HG2 ILE 101 5.404 -3.338 2.944 838 HG23 ILE 101 3HG2 ILE 101 4.377 -4.693 2.476 839 HD11 ILE 101 3HD1 ILE 101 6.776 -7.762 4.888 840 HD12 ILE 101 1HD1 ILE 101 7.835 -6.361 4.721 841 HD13 ILE 101 2HD1 ILE 101 7.701 -7.527 3.406 842 HA PRO 102 HA PRO 102 4.580 -8.420 -0.931 843 HB2 PRO 102 1HB PRO 102 5.548 -10.910 -0.814 844 HB3 PRO 102 2HB PRO 102 6.333 -9.666 -1.794 845 HG2 PRO 102 1HG PRO 102 7.124 -10.765 0.863 846 HG3 PRO 102 2HG PRO 102 8.145 -10.252 -0.491 847 HD2 PRO 102 1HD PRO 102 7.564 -8.743 1.791 848 HD3 PRO 102 2HD PRO 102 8.242 -8.119 0.276 849 H HIS 103 H HIS 103 2.635 -9.143 -0.255 850 HA HIS 103 HA HIS 103 2.455 -10.353 2.427 851 HB2 HIS 103 1HB HIS 103 0.580 -8.550 0.914 852 HB3 HIS 103 2HB HIS 103 0.013 -9.534 2.257 853 HD1 HIS 103 HD1 HIS 103 3.358 -8.464 3.037 854 HD2 HIS 103 HD2 HIS 103 -0.418 -6.735 3.217 855 HE1 HIS 103 HE1 HIS 103 3.581 -6.523 4.614 856 HE2 HIS 103 HE2 HIS 103 1.252 -5.584 4.819 857 H ASP 104 H ASP 104 0.610 -11.863 2.741 858 HA ASP 104 HA ASP 104 -0.001 -13.400 0.302 859 HB2 ASP 104 1HB ASP 104 1.095 -14.308 2.925 860 HB3 ASP 104 2HB ASP 104 -0.060 -15.361 2.117 861 H LEU 105 H LEU 105 -2.103 -14.094 0.072 862 HA LEU 105 HA LEU 105 -3.954 -13.463 2.278 863 HB2 LEU 105 1HB LEU 105 -4.051 -11.867 0.346 864 HB3 LEU 105 2HB LEU 105 -4.534 -13.205 -0.674 865 HG LEU 105 HG LEU 105 -6.453 -13.425 1.160 866 HD11 LEU 105 1HD1 LEU 105 -5.416 -11.467 2.413 867 HD12 LEU 105 2HD1 LEU 105 -7.147 -11.386 2.089 868 HD13 LEU 105 3HD1 LEU 105 -6.020 -10.454 1.104 869 HD21 LEU 105 3HD2 LEU 105 -6.697 -13.087 -1.287 870 HD22 LEU 105 1HD2 LEU 105 -6.537 -11.352 -1.025 871 HD23 LEU 105 2HD2 LEU 105 -7.901 -12.226 -0.330 872 H ASN 106 H ASN 106 -4.071 -15.588 3.049 873 HA ASN 106 HA ASN 106 -5.922 -17.278 1.707 874 HB2 ASN 106 1HB ASN 106 -3.573 -17.673 0.582 875 HB3 ASN 106 2HB ASN 106 -3.284 -18.656 2.016 876 HD21 ASN 106 2HD2 ASN 106 -6.108 -18.109 -0.069 877 HD22 ASN 106 1HD2 ASN 106 -6.402 -19.779 -0.389 878 H PHE 107 H PHE 107 -5.605 -16.074 4.316 879 HA PHE 107 HA PHE 107 -5.928 -18.477 5.938 880 HB2 PHE 107 1HB PHE 107 -4.185 -16.134 6.740 881 HB3 PHE 107 2HB PHE 107 -4.619 -17.480 7.787 882 HD1 PHE 107 HD2 PHE 107 -2.669 -16.482 4.837 883 HD2 PHE 107 HD1 PHE 107 -3.528 -19.596 7.607 884 HE1 PHE 107 HE2 PHE 107 -0.711 -17.735 4.027 885 HE2 PHE 107 HE1 PHE 107 -1.574 -20.853 6.804 886 HZ PHE 107 HZ PHE 107 -0.163 -19.926 5.011 887 H LEU 108 H LEU 108 -7.763 -18.375 7.097 888 HA LEU 108 HA LEU 108 -9.511 -16.209 6.981 889 HB2 LEU 108 1HB LEU 108 -10.885 -17.377 8.553 890 HB3 LEU 108 2HB LEU 108 -10.168 -18.555 7.473 891 HG LEU 108 HG LEU 108 -8.372 -18.596 9.510 892 HD11 LEU 108 1HD1 LEU 108 -10.845 -18.662 11.101 893 HD12 LEU 108 2HD1 LEU 108 -10.296 -17.058 10.618 894 HD13 LEU 108 3HD1 LEU 108 -9.225 -18.117 11.534 895 HD21 LEU 108 3HD2 LEU 108 -9.941 -20.564 10.321 896 HD22 LEU 108 1HD2 LEU 108 -9.057 -20.650 8.797 897 HD23 LEU 108 2HD2 LEU 108 -10.765 -20.208 8.804 898 H GLN 109 H GLN 109 -9.774 -14.419 8.147 899 HA GLN 109 HA GLN 109 -9.553 -12.827 9.757 900 HB2 GLN 109 1HB GLN 109 -9.574 -15.087 11.237 901 HB3 GLN 109 2HB GLN 109 -7.959 -14.503 11.610 902 HG2 GLN 109 1HG GLN 109 -8.717 -12.755 12.811 903 HG3 GLN 109 2HG GLN 109 -10.118 -12.507 11.768 904 HE21 GLN 109 2HE2 GLN 109 -12.048 -13.321 12.367 905 HE22 GLN 109 1HE2 GLN 109 -12.311 -14.272 13.785 906 H GLU 110 H GLU 110 -8.040 -12.194 7.921 907 HA GLU 110 HA GLU 110 -5.219 -12.300 8.641 908 HB2 GLU 110 1HB GLU 110 -5.856 -12.715 6.296 909 HB3 GLU 110 2HB GLU 110 -6.543 -11.102 6.200 910 HG2 GLU 110 1HG GLU 110 -4.449 -10.067 6.338 911 HG3 GLU 110 2HG GLU 110 -3.669 -11.532 6.929 912 H SER 111 H SER 111 -3.999 -10.572 9.180 913 HA SER 111 HA SER 111 -5.188 -7.914 9.270 914 HB2 SER 111 1HB SER 111 -5.598 -9.196 11.471 915 HB3 SER 111 2HB SER 111 -3.862 -9.023 11.742 916 HG SER 111 HG SER 111 -4.101 -6.924 12.050 917 H TYR 112 H TYR 112 -3.509 -8.141 7.453 918 HA TYR 112 HA TYR 112 -0.791 -7.690 8.463 919 HB2 TYR 112 1HB TYR 112 -1.831 -9.104 6.203 920 HB3 TYR 112 2HB TYR 112 -0.827 -7.782 5.619 921 HD1 TYR 112 HD1 TYR 112 1.559 -7.707 6.141 922 HD2 TYR 112 HD2 TYR 112 -0.868 -10.954 7.430 923 HE1 TYR 112 HE1 TYR 112 3.580 -9.027 6.593 924 HE2 TYR 112 HE2 TYR 112 1.147 -12.284 7.889 925 HH TYR 112 HH TYR 112 3.599 -12.276 6.977 926 H GLU 113 H GLU 113 -0.127 -5.676 8.639 927 HA GLU 113 HA GLU 113 -0.967 -3.687 6.665 928 HB2 GLU 113 1HB GLU 113 -2.414 -3.664 8.797 929 HB3 GLU 113 2HB GLU 113 -0.991 -3.024 9.598 930 HG2 GLU 113 1HG GLU 113 -1.073 -1.308 7.591 931 HG3 GLU 113 2HG GLU 113 -2.774 -1.765 7.596 932 H VAL 114 H VAL 114 0.654 -2.400 6.023 933 HA VAL 114 HA VAL 114 3.133 -2.405 7.623 934 HB VAL 114 HB VAL 114 2.928 -2.052 4.628 935 HG11 VAL 114 1HG1 VAL 114 4.829 -0.898 5.701 936 HG12 VAL 114 2HG1 VAL 114 5.344 -2.207 4.641 937 HG13 VAL 114 3HG1 VAL 114 5.350 -2.436 6.388 938 HG21 VAL 114 3HG2 VAL 114 3.225 -4.250 4.317 939 HG22 VAL 114 1HG2 VAL 114 2.585 -4.403 5.952 940 HG23 VAL 114 2HG2 VAL 114 4.328 -4.396 5.684 941 H GLU 115 H GLU 115 4.153 -0.500 8.025 942 HA GLU 115 HA GLU 115 3.012 1.946 6.874 943 HB2 GLU 115 1HB GLU 115 3.755 1.691 9.790 944 HB3 GLU 115 2HB GLU 115 2.961 3.046 9.002 945 HG2 GLU 115 1HG GLU 115 0.970 1.730 8.646 946 HG3 GLU 115 2HG GLU 115 1.766 0.300 9.302 947 H HIS 116 H HIS 116 4.632 2.744 5.709 948 HA HIS 116 HA HIS 116 7.338 2.760 6.879 949 HB2 HIS 116 1HB HIS 116 6.367 2.098 4.219 950 HB3 HIS 116 2HB HIS 116 7.614 3.340 4.166 951 HD1 HIS 116 HD1 HIS 116 9.470 2.347 6.395 952 HD2 HIS 116 HD2 HIS 116 7.756 -0.129 3.533 953 HE1 HIS 116 HE1 HIS 116 10.945 0.316 6.295 954 HE2 HIS 116 HE2 HIS 116 9.792 -1.236 4.679 955 H VAL 117 H VAL 117 8.018 4.661 7.567 956 HA VAL 117 HA VAL 117 6.678 7.096 6.710 957 HB VAL 117 HB VAL 117 8.001 8.209 8.474 958 HG11 VAL 117 1HG1 VAL 117 6.173 5.946 8.971 959 HG12 VAL 117 2HG1 VAL 117 6.033 7.644 9.426 960 HG13 VAL 117 3HG1 VAL 117 7.056 6.560 10.368 961 HG21 VAL 117 3HG2 VAL 117 9.535 7.117 9.841 962 HG22 VAL 117 1HG2 VAL 117 9.910 6.489 8.238 963 HG23 VAL 117 2HG2 VAL 117 8.969 5.517 9.366 964 H ILE 118 H ILE 118 7.651 8.844 5.739 965 HA ILE 118 HA ILE 118 10.423 8.535 4.808 966 HB ILE 118 HB ILE 118 8.182 9.509 3.032 967 HG12 ILE 118 1HG1 ILE 118 9.602 6.842 2.881 968 HG13 ILE 118 2HG1 ILE 118 8.016 7.062 3.614 969 HG21 ILE 118 1HG2 ILE 118 10.563 8.566 1.708 970 HG22 ILE 118 2HG2 ILE 118 10.947 9.842 2.864 971 HG23 ILE 118 3HG2 ILE 118 9.757 10.129 1.595 972 HD11 ILE 118 3HD1 ILE 118 7.019 7.574 1.562 973 HD12 ILE 118 1HD1 ILE 118 8.095 6.218 1.223 974 HD13 ILE 118 2HD1 ILE 118 8.574 7.856 0.779 975 H GLN 119 H GLN 119 11.487 10.200 5.701 976 HA GLN 119 HA GLN 119 10.252 12.875 5.575 977 HB2 GLN 119 1HB GLN 119 11.478 11.448 7.882 978 HB3 GLN 119 2HB GLN 119 11.800 13.170 7.740 979 HG2 GLN 119 1HG GLN 119 9.865 13.574 8.717 980 HG3 GLN 119 2HG GLN 119 9.043 12.862 7.331 981 HE21 GLN 119 2HE2 GLN 119 10.825 11.776 10.214 982 HE22 GLN 119 1HE2 GLN 119 9.706 10.531 10.641 983 H ILE 120 H ILE 120 11.390 13.892 4.013 984 HA ILE 120 HA ILE 120 14.313 13.995 4.318 985 HB ILE 120 HB ILE 120 12.984 13.781 1.615 986 HG12 ILE 120 1HG1 ILE 120 12.762 11.676 2.953 987 HG13 ILE 120 2HG1 ILE 120 13.724 11.494 1.490 988 HG21 ILE 120 1HG2 ILE 120 15.230 14.963 1.908 989 HG22 ILE 120 2HG2 ILE 120 15.141 13.680 0.704 990 HG23 ILE 120 3HG2 ILE 120 15.886 13.368 2.271 991 HD11 ILE 120 3HD1 ILE 120 15.628 11.077 2.633 992 HD12 ILE 120 1HD1 ILE 120 14.472 10.514 3.842 993 HD13 ILE 120 2HD1 ILE 120 15.183 12.122 3.983 994 HA PRO 121 HA PRO 121 12.251 18.183 3.738 995 HB2 PRO 121 1HB PRO 121 13.059 19.288 6.079 996 HB3 PRO 121 2HB PRO 121 11.557 18.372 5.916 997 HG2 PRO 121 1HG PRO 121 14.200 17.506 7.011 998 HG3 PRO 121 2HG PRO 121 12.569 17.153 7.607 999 HD2 PRO 121 1HD PRO 121 14.037 15.388 6.141 1000 HD3 PRO 121 2HD PRO 121 12.264 15.429 6.125 1001 H LEU 122 H LEU 122 15.407 17.471 5.248 1002 HA LEU 122 HA LEU 122 16.660 19.305 3.336 1003 HB2 LEU 122 1HB LEU 122 16.298 20.009 5.966 1004 HB3 LEU 122 2HB LEU 122 17.911 19.324 5.992 1005 HG LEU 122 HG LEU 122 17.220 21.385 3.933 1006 HD11 LEU 122 1HD1 LEU 122 18.410 22.340 6.459 1007 HD12 LEU 122 2HD1 LEU 122 16.686 21.973 6.494 1008 HD13 LEU 122 3HD1 LEU 122 17.313 23.147 5.340 1009 HD21 LEU 122 3HD2 LEU 122 19.327 20.488 3.551 1010 HD22 LEU 122 1HD2 LEU 122 19.696 20.358 5.270 1011 HD23 LEU 122 2HD2 LEU 122 19.678 21.939 4.488 1012 H ASN 123 H ASN 123 17.480 17.629 2.153 1013 HA ASN 123 HA ASN 123 18.796 15.381 3.283 1014 HB2 ASN 123 1HB ASN 123 17.683 15.487 1.014 1015 HB3 ASN 123 2HB ASN 123 19.077 16.405 0.456 1016 HD21 ASN 123 2HD2 ASN 123 19.592 14.805 -1.049 1017 HD22 ASN 123 1HD2 ASN 123 20.305 13.304 -0.576 Start of MODEL 15 1 H1 MET 1 1H MET 1 5.565 25.486 -0.734 2 H2 MET 1 2H MET 1 4.143 26.435 -0.602 3 H3 MET 1 3H MET 1 4.948 25.895 0.813 4 HA MET 1 HA MET 1 6.230 27.621 -1.184 5 HB2 MET 1 1HB MET 1 5.598 29.527 0.230 6 HB3 MET 1 2HB MET 1 4.178 28.712 -0.409 7 HG2 MET 1 1HG MET 1 5.111 27.822 2.245 8 HG3 MET 1 2HG MET 1 4.445 29.451 2.151 9 HE1 MET 1 3HE MET 1 3.010 28.831 3.847 10 HE2 MET 1 1HE MET 1 2.336 27.206 3.978 11 HE3 MET 1 2HE MET 1 1.321 28.542 3.431 12 H VAL 2 H VAL 2 7.040 25.312 0.690 13 HA VAL 2 HA VAL 2 9.342 26.693 1.835 14 HB VAL 2 HB VAL 2 9.115 25.256 3.932 15 HG11 VAL 2 1HG1 VAL 2 7.386 27.619 3.314 16 HG12 VAL 2 2HG1 VAL 2 8.866 27.536 4.267 17 HG13 VAL 2 3HG1 VAL 2 7.364 26.876 4.912 18 HG21 VAL 2 3HG2 VAL 2 7.208 24.143 4.436 19 HG22 VAL 2 1HG2 VAL 2 7.085 24.048 2.679 20 HG23 VAL 2 2HG2 VAL 2 6.181 25.278 3.561 21 H ALA 3 H ALA 3 10.877 24.944 2.838 22 HA ALA 3 HA ALA 3 11.105 22.789 0.852 23 HB1 ALA 3 3HB ALA 3 13.079 24.397 2.388 24 HB2 ALA 3 1HB ALA 3 13.085 23.919 0.691 25 HB3 ALA 3 2HB ALA 3 13.515 22.747 1.937 26 H THR 4 H THR 4 9.515 21.510 2.040 27 HA THR 4 HA THR 4 10.811 19.907 4.103 28 HB THR 4 HB THR 4 8.334 19.949 5.169 29 HG1 THR 4 HG1 THR 4 8.737 22.630 4.353 30 HG21 THR 4 3HG2 THR 4 10.836 20.997 5.909 31 HG22 THR 4 1HG2 THR 4 9.457 20.620 6.941 32 HG23 THR 4 2HG2 THR 4 9.630 22.236 6.258 33 H VAL 5 H VAL 5 10.361 17.767 3.923 34 HA VAL 5 HA VAL 5 8.161 16.990 2.129 35 HB VAL 5 HB VAL 5 10.855 15.626 2.177 36 HG11 VAL 5 1HG1 VAL 5 9.522 13.997 1.347 37 HG12 VAL 5 2HG1 VAL 5 9.734 14.909 -0.147 38 HG13 VAL 5 3HG1 VAL 5 8.277 15.128 0.821 39 HG21 VAL 5 3HG2 VAL 5 9.767 17.744 0.343 40 HG22 VAL 5 1HG2 VAL 5 11.041 16.634 -0.160 41 HG23 VAL 5 2HG2 VAL 5 11.305 17.717 1.205 42 H LYS 6 H LYS 6 6.760 15.743 3.133 43 HA LYS 6 HA LYS 6 7.723 13.833 5.152 44 HB2 LYS 6 1HB LYS 6 5.591 15.893 5.374 45 HB3 LYS 6 2HB LYS 6 5.269 14.327 6.106 46 HG2 LYS 6 1HG LYS 6 7.521 14.600 7.275 47 HG3 LYS 6 2HG LYS 6 7.439 16.289 6.769 48 HD2 LYS 6 1HD LYS 6 5.077 15.102 8.139 49 HD3 LYS 6 2HD LYS 6 6.497 15.497 9.109 50 HE2 LYS 6 1HE LYS 6 6.316 17.760 8.693 51 HE3 LYS 6 2HE LYS 6 5.416 17.520 7.197 52 HZ1 LYS 6 3HZ LYS 6 3.889 16.480 9.295 53 HZ2 LYS 6 1HZ LYS 6 3.553 17.826 8.327 54 HZ3 LYS 6 2HZ LYS 6 4.414 18.016 9.769 55 H ARG 7 H ARG 7 7.497 11.925 4.163 56 HA ARG 7 HA ARG 7 4.898 11.323 2.911 57 HB2 ARG 7 1HB ARG 7 7.658 10.439 2.055 58 HB3 ARG 7 2HB ARG 7 6.176 9.721 1.439 59 HG2 ARG 7 1HG ARG 7 5.515 12.065 0.714 60 HG3 ARG 7 2HG ARG 7 7.186 12.521 1.050 61 HD2 ARG 7 1HD ARG 7 7.769 10.493 -0.467 62 HD3 ARG 7 2HD ARG 7 6.111 10.663 -1.037 63 HE ARG 7 HE ARG 7 6.697 12.612 -2.114 64 HH11 ARG 7 1HH1 ARG 7 9.334 11.600 -0.039 65 HH12 ARG 7 2HH1 ARG 7 10.464 12.716 -0.726 66 HH21 ARG 7 1HH2 ARG 7 8.193 14.082 -3.012 67 HH22 ARG 7 2HH2 ARG 7 9.818 14.124 -2.412 68 H THR 8 H THR 8 4.136 9.160 3.114 69 HA THR 8 HA THR 8 5.508 7.253 4.768 70 HB THR 8 HB THR 8 4.677 8.706 6.528 71 HG1 THR 8 HG1 THR 8 3.908 7.108 7.684 72 HG21 THR 8 3HG2 THR 8 2.764 9.802 6.454 73 HG22 THR 8 1HG2 THR 8 1.864 8.291 6.328 74 HG23 THR 8 2HG2 THR 8 2.446 9.093 4.870 75 H ILE 9 H ILE 9 4.635 5.182 4.585 76 HA ILE 9 HA ILE 9 2.302 4.964 2.795 77 HB ILE 9 HB ILE 9 4.380 4.235 1.703 78 HG12 ILE 9 1HG1 ILE 9 3.462 1.648 1.577 79 HG13 ILE 9 2HG1 ILE 9 2.046 2.511 2.168 80 HG21 ILE 9 1HG2 ILE 9 5.474 3.483 3.843 81 HG22 ILE 9 2HG2 ILE 9 5.688 2.415 2.457 82 HG23 ILE 9 3HG2 ILE 9 4.522 2.007 3.714 83 HD11 ILE 9 3HD1 ILE 9 2.494 4.131 0.225 84 HD12 ILE 9 1HD1 ILE 9 1.791 2.553 -0.128 85 HD13 ILE 9 2HD1 ILE 9 3.507 2.838 -0.414 86 H ARG 10 H ARG 10 0.579 3.973 3.587 87 HA ARG 10 HA ARG 10 0.928 2.018 5.754 88 HB2 ARG 10 1HB ARG 10 -0.697 4.504 5.737 89 HB3 ARG 10 2HB ARG 10 -1.440 3.083 6.457 90 HG2 ARG 10 1HG ARG 10 0.772 2.895 7.785 91 HG3 ARG 10 2HG ARG 10 0.999 4.580 7.317 92 HD2 ARG 10 1HD ARG 10 -1.111 5.182 8.351 93 HD3 ARG 10 2HD ARG 10 -1.425 3.494 8.746 94 HE ARG 10 HE ARG 10 -0.008 3.677 10.538 95 HH11 ARG 10 1HH1 ARG 10 0.461 6.448 8.444 96 HH12 ARG 10 2HH1 ARG 10 1.467 7.288 9.575 97 HH21 ARG 10 1HH2 ARG 10 1.319 4.788 12.023 98 HH22 ARG 10 2HH2 ARG 10 1.955 6.344 11.608 99 H ILE 11 H ILE 11 0.323 0.144 4.873 100 HA ILE 11 HA ILE 11 -2.130 0.104 3.235 101 HB ILE 11 HB ILE 11 -1.215 -1.960 2.166 102 HG12 ILE 11 1HG1 ILE 11 1.566 -1.332 2.810 103 HG13 ILE 11 2HG1 ILE 11 0.652 -1.864 4.217 104 HG21 ILE 11 1HG2 ILE 11 -0.117 0.762 1.850 105 HG22 ILE 11 2HG2 ILE 11 -0.967 -0.264 0.694 106 HG23 ILE 11 3HG2 ILE 11 0.746 -0.531 1.018 107 HD11 ILE 11 3HD1 ILE 11 0.353 -3.969 3.395 108 HD12 ILE 11 1HD1 ILE 11 1.912 -3.567 2.674 109 HD13 ILE 11 2HD1 ILE 11 0.439 -3.445 1.713 110 H LYS 12 H LYS 12 -3.759 -1.184 3.856 111 HA LYS 12 HA LYS 12 -3.262 -3.047 6.087 112 HB2 LYS 12 1HB LYS 12 -5.531 -1.162 5.549 113 HB3 LYS 12 2HB LYS 12 -5.794 -2.603 6.521 114 HG2 LYS 12 1HG LYS 12 -5.326 -1.034 8.125 115 HG3 LYS 12 2HG LYS 12 -3.737 -1.756 7.860 116 HD2 LYS 12 1HD LYS 12 -2.964 0.084 6.658 117 HD3 LYS 12 2HD LYS 12 -4.595 0.661 6.310 118 HE2 LYS 12 1HE LYS 12 -3.456 0.571 9.093 119 HE3 LYS 12 2HE LYS 12 -3.272 1.968 8.032 120 HZ1 LYS 12 3HZ LYS 12 -5.971 0.904 8.439 121 HZ2 LYS 12 1HZ LYS 12 -5.465 2.500 8.196 122 HZ3 LYS 12 2HZ LYS 12 -5.266 1.771 9.708 123 H THR 13 H THR 13 -4.079 -5.089 5.977 124 HA THR 13 HA THR 13 -5.787 -5.780 3.698 125 HB THR 13 HB THR 13 -3.558 -7.636 4.428 126 HG1 THR 13 HG1 THR 13 -2.373 -5.846 4.030 127 HG21 THR 13 3HG2 THR 13 -4.626 -7.033 1.698 128 HG22 THR 13 1HG2 THR 13 -5.412 -8.186 2.776 129 HG23 THR 13 2HG2 THR 13 -3.748 -8.456 2.259 130 H GLN 14 H GLN 14 -7.591 -6.358 4.782 131 HA GLN 14 HA GLN 14 -7.316 -8.333 6.951 132 HB2 GLN 14 1HB GLN 14 -8.561 -5.887 7.080 133 HB3 GLN 14 2HB GLN 14 -9.906 -6.964 6.724 134 HG2 GLN 14 1HG GLN 14 -9.759 -8.044 8.725 135 HG3 GLN 14 2HG GLN 14 -8.027 -7.757 8.882 136 HE21 GLN 14 2HE2 GLN 14 -10.852 -5.636 8.453 137 HE22 GLN 14 1HE2 GLN 14 -10.513 -4.633 9.817 138 H GLN 15 H GLN 15 -7.901 -10.336 6.399 139 HA GLN 15 HA GLN 15 -9.945 -10.660 4.294 140 HB2 GLN 15 1HB GLN 15 -7.676 -11.329 3.576 141 HB3 GLN 15 2HB GLN 15 -7.620 -12.494 4.890 142 HG2 GLN 15 1HG GLN 15 -9.853 -13.336 3.736 143 HG3 GLN 15 2HG GLN 15 -9.106 -12.586 2.329 144 HE21 GLN 15 2HE2 GLN 15 -9.638 -15.331 2.573 145 HE22 GLN 15 1HE2 GLN 15 -8.133 -16.175 2.588 146 H HIS 16 H HIS 16 -11.486 -12.275 4.504 147 HA HIS 16 HA HIS 16 -11.463 -13.929 6.906 148 HB2 HIS 16 1HB HIS 16 -14.040 -13.152 7.071 149 HB3 HIS 16 2HB HIS 16 -12.745 -12.403 7.997 150 HD1 HIS 16 HD1 HIS 16 -11.688 -10.172 6.743 151 HD2 HIS 16 HD2 HIS 16 -15.504 -11.391 5.637 152 HE1 HIS 16 HE1 HIS 16 -12.738 -8.173 5.638 153 HE2 HIS 16 HE2 HIS 16 -15.068 -8.915 5.027 154 H ILE 17 H ILE 17 -11.943 -15.936 6.302 155 HA ILE 17 HA ILE 17 -13.484 -16.333 3.837 156 HB ILE 17 HB ILE 17 -11.968 -18.431 5.387 157 HG12 ILE 17 1HG1 ILE 17 -11.033 -16.784 3.025 158 HG13 ILE 17 2HG1 ILE 17 -10.421 -16.656 4.669 159 HG21 ILE 17 1HG2 ILE 17 -12.224 -19.816 3.525 160 HG22 ILE 17 2HG2 ILE 17 -12.676 -18.474 2.474 161 HG23 ILE 17 3HG2 ILE 17 -13.799 -19.044 3.707 162 HD11 ILE 17 3HD1 ILE 17 -10.021 -18.841 2.674 163 HD12 ILE 17 1HD1 ILE 17 -9.826 -19.148 4.399 164 HD13 ILE 17 2HD1 ILE 17 -8.823 -17.936 3.600 165 H LEU 18 H LEU 18 -15.504 -17.098 3.854 166 HA LEU 18 HA LEU 18 -16.484 -18.529 6.225 167 HB2 LEU 18 1HB LEU 18 -17.452 -15.970 5.129 168 HB3 LEU 18 2HB LEU 18 -18.703 -17.147 5.476 169 HG LEU 18 HG LEU 18 -17.734 -17.325 7.809 170 HD11 LEU 18 1HD1 LEU 18 -16.570 -14.894 8.196 171 HD12 LEU 18 2HD1 LEU 18 -15.909 -15.363 6.630 172 HD13 LEU 18 3HD1 LEU 18 -15.701 -16.418 8.029 173 HD21 LEU 18 3HD2 LEU 18 -19.695 -15.803 6.887 174 HD22 LEU 18 1HD2 LEU 18 -18.601 -14.515 7.392 175 HD23 LEU 18 2HD2 LEU 18 -19.155 -15.709 8.562 176 HA PRO 19 HA PRO 19 -17.546 -21.168 2.705 177 HB2 PRO 19 1HB PRO 19 -18.430 -23.249 4.269 178 HB3 PRO 19 2HB PRO 19 -16.744 -22.985 3.813 179 HG2 PRO 19 1HG PRO 19 -18.147 -22.303 6.360 180 HG3 PRO 19 2HG PRO 19 -16.514 -22.946 6.115 181 HD2 PRO 19 1HD PRO 19 -16.966 -20.344 6.663 182 HD3 PRO 19 2HD PRO 19 -15.634 -20.871 5.615 183 H GLU 20 H GLU 20 -19.695 -21.261 5.575 184 HA GLU 20 HA GLU 20 -21.965 -21.289 5.767 185 HB2 GLU 20 1HB GLU 20 -21.385 -18.903 5.035 186 HB3 GLU 20 2HB GLU 20 -21.979 -19.370 3.447 187 HG2 GLU 20 1HG GLU 20 -24.081 -20.138 4.841 188 HG3 GLU 20 2HG GLU 20 -23.462 -18.943 5.982 189 H VAL 21 H VAL 21 -22.128 -23.494 5.025 190 HA VAL 21 HA VAL 21 -22.548 -24.206 2.326 191 HB VAL 21 HB VAL 21 -23.561 -25.686 4.757 192 HG11 VAL 21 1HG1 VAL 21 -24.474 -26.979 3.174 193 HG12 VAL 21 2HG1 VAL 21 -22.828 -27.545 2.891 194 HG13 VAL 21 3HG1 VAL 21 -23.502 -26.258 1.890 195 HG21 VAL 21 3HG2 VAL 21 -21.346 -25.644 5.280 196 HG22 VAL 21 1HG2 VAL 21 -20.841 -25.400 3.608 197 HG23 VAL 21 2HG2 VAL 21 -21.326 -27.004 4.158 198 HA PRO 22 HA PRO 22 -26.793 -22.665 2.225 199 HB2 PRO 22 1HB PRO 22 -26.947 -22.298 -0.418 200 HB3 PRO 22 2HB PRO 22 -25.991 -21.213 0.600 201 HG2 PRO 22 1HG PRO 22 -25.088 -23.419 -1.191 202 HG3 PRO 22 2HG PRO 22 -24.327 -21.853 -0.865 203 HD2 PRO 22 1HD PRO 22 -23.615 -24.289 0.302 204 HD3 PRO 22 2HD PRO 22 -23.164 -22.681 0.899 205 HA PRO 23 HA PRO 23 -28.951 -26.361 1.035 206 HB2 PRO 23 1HB PRO 23 -31.444 -25.445 0.693 207 HB3 PRO 23 2HB PRO 23 -30.667 -25.433 2.279 208 HG2 PRO 23 1HG PRO 23 -31.043 -23.190 0.338 209 HG3 PRO 23 2HG PRO 23 -31.215 -23.184 2.102 210 HD2 PRO 23 1HD PRO 23 -28.987 -22.289 0.748 211 HD3 PRO 23 2HD PRO 23 -28.984 -22.844 2.433 212 H VAL 24 H VAL 24 -27.477 -25.324 -1.163 213 HA VAL 24 HA VAL 24 -29.173 -26.220 -3.350 214 HB VAL 24 HB VAL 24 -27.656 -23.616 -3.599 215 HG11 VAL 24 1HG1 VAL 24 -29.127 -23.492 -5.699 216 HG12 VAL 24 2HG1 VAL 24 -29.367 -25.225 -5.464 217 HG13 VAL 24 3HG1 VAL 24 -27.744 -24.586 -5.720 218 HG21 VAL 24 3HG2 VAL 24 -29.540 -23.233 -2.149 219 HG22 VAL 24 1HG2 VAL 24 -30.616 -24.092 -3.253 220 HG23 VAL 24 2HG2 VAL 24 -29.896 -22.556 -3.737 221 H GLU 25 H GLU 25 -25.989 -24.633 -2.974 222 HA GLU 25 HA GLU 25 -24.715 -27.037 -4.092 223 HB2 GLU 25 1HB GLU 25 -25.078 -24.783 -5.571 224 HB3 GLU 25 2HB GLU 25 -23.510 -24.449 -4.851 225 HG2 GLU 25 1HG GLU 25 -22.467 -26.081 -6.021 226 HG3 GLU 25 2HG GLU 25 -23.890 -27.122 -6.058 227 H ASN 26 H ASN 26 -22.105 -26.418 -3.994 228 HA ASN 26 HA ASN 26 -21.590 -25.397 -1.286 229 HB2 ASN 26 1HB ASN 26 -20.375 -27.914 -2.446 230 HB3 ASN 26 2HB ASN 26 -19.993 -27.215 -0.878 231 HD21 ASN 26 2HD2 ASN 26 -22.291 -26.655 0.273 232 HD22 ASN 26 1HD2 ASN 26 -23.298 -28.050 0.422 233 H PHE 27 H PHE 27 -20.230 -23.741 -1.407 234 HA PHE 27 HA PHE 27 -17.748 -23.940 -2.806 235 HB2 PHE 27 1HB PHE 27 -18.128 -21.895 -4.231 236 HB3 PHE 27 2HB PHE 27 -18.989 -23.336 -4.751 237 HD1 PHE 27 HD1 PHE 27 -21.451 -23.535 -4.172 238 HD2 PHE 27 HD2 PHE 27 -19.262 -19.907 -3.753 239 HE1 PHE 27 HE1 PHE 27 -23.561 -22.268 -4.153 240 HE2 PHE 27 HE2 PHE 27 -21.368 -18.637 -3.731 241 HZ PHE 27 HZ PHE 27 -23.520 -19.816 -3.930 242 HA PRO 28 HA PRO 28 -17.208 -21.244 0.783 243 HB2 PRO 28 1HB PRO 28 -14.526 -21.512 0.956 244 HB3 PRO 28 2HB PRO 28 -15.636 -22.775 1.503 245 HG2 PRO 28 1HG PRO 28 -14.109 -22.579 -1.067 246 HG3 PRO 28 2HG PRO 28 -14.343 -23.984 -0.010 247 HD2 PRO 28 1HD PRO 28 -15.789 -23.584 -2.275 248 HD3 PRO 28 2HD PRO 28 -16.435 -24.431 -0.857 249 H VAL 29 H VAL 29 -17.066 -19.069 0.726 250 HA VAL 29 HA VAL 29 -15.388 -17.837 -1.369 251 HB VAL 29 HB VAL 29 -16.946 -15.868 -1.230 252 HG11 VAL 29 1HG1 VAL 29 -18.446 -18.309 -2.101 253 HG12 VAL 29 2HG1 VAL 29 -16.984 -17.793 -2.940 254 HG13 VAL 29 3HG1 VAL 29 -18.378 -16.717 -2.853 255 HG21 VAL 29 3HG2 VAL 29 -19.103 -17.586 -0.165 256 HG22 VAL 29 1HG2 VAL 29 -18.841 -15.851 0.010 257 HG23 VAL 29 2HG2 VAL 29 -17.933 -16.983 1.009 258 H ARG 30 H ARG 30 -13.998 -16.232 -0.829 259 HA ARG 30 HA ARG 30 -13.749 -15.643 2.047 260 HB2 ARG 30 1HB ARG 30 -11.420 -14.944 1.504 261 HB3 ARG 30 2HB ARG 30 -11.748 -16.634 1.157 262 HG2 ARG 30 1HG ARG 30 -10.633 -16.091 -0.737 263 HG3 ARG 30 2HG ARG 30 -12.262 -15.659 -1.252 264 HD2 ARG 30 1HD ARG 30 -11.644 -13.324 -0.261 265 HD3 ARG 30 2HD ARG 30 -9.990 -13.892 -0.456 266 HE ARG 30 HE ARG 30 -10.395 -14.077 -2.816 267 HH11 ARG 30 1HH1 ARG 30 -12.861 -12.327 -1.051 268 HH12 ARG 30 2HH1 ARG 30 -13.441 -11.509 -2.459 269 HH21 ARG 30 1HH2 ARG 30 -11.184 -12.996 -4.657 270 HH22 ARG 30 2HH2 ARG 30 -12.505 -11.888 -4.496 271 H GLN 31 H GLN 31 -13.042 -13.466 2.662 272 HA GLN 31 HA GLN 31 -13.850 -11.367 0.775 273 HB2 GLN 31 1HB GLN 31 -15.250 -12.144 3.174 274 HB3 GLN 31 2HB GLN 31 -14.670 -10.492 3.317 275 HG2 GLN 31 1HG GLN 31 -15.859 -9.805 1.394 276 HG3 GLN 31 2HG GLN 31 -16.216 -11.472 0.942 277 HE21 GLN 31 2HE2 GLN 31 -17.490 -12.713 2.592 278 HE22 GLN 31 1HE2 GLN 31 -18.787 -11.876 3.369 279 H TRP 32 H TRP 32 -12.138 -10.122 0.512 280 HA TRP 32 HA TRP 32 -10.489 -9.486 2.871 281 HB2 TRP 32 1HB TRP 32 -8.531 -9.335 1.410 282 HB3 TRP 32 2HB TRP 32 -9.257 -10.935 1.338 283 HD1 TRP 32 HD1 TRP 32 -10.992 -11.240 -0.911 284 HE1 TRP 32 HE1 TRP 32 -10.527 -10.502 -3.331 285 HE3 TRP 32 HE3 TRP 32 -7.365 -7.757 -0.011 286 HZ2 TRP 32 HZ2 TRP 32 -8.845 -8.683 -4.681 287 HZ3 TRP 32 HZ3 TRP 32 -6.376 -6.565 -1.923 288 HH2 TRP 32 HH2 TRP 32 -7.103 -7.018 -4.207 289 H SER 33 H SER 33 -9.479 -7.422 2.932 290 HA SER 33 HA SER 33 -10.581 -5.391 1.126 291 HB2 SER 33 1HB SER 33 -12.019 -5.315 3.080 292 HB3 SER 33 2HB SER 33 -10.619 -5.258 4.151 293 HG SER 33 HG SER 33 -11.206 -3.283 2.198 294 H ILE 34 H ILE 34 -8.940 -4.306 0.255 295 HA ILE 34 HA ILE 34 -6.500 -3.926 1.860 296 HB ILE 34 HB ILE 34 -6.126 -5.457 -0.028 297 HG12 ILE 34 1HG1 ILE 34 -4.278 -4.052 -1.154 298 HG13 ILE 34 2HG1 ILE 34 -4.795 -2.753 -0.085 299 HG21 ILE 34 1HG2 ILE 34 -6.952 -3.112 -1.736 300 HG22 ILE 34 2HG2 ILE 34 -7.812 -4.642 -1.561 301 HG23 ILE 34 3HG2 ILE 34 -6.229 -4.603 -2.337 302 HD11 ILE 34 3HD1 ILE 34 -4.450 -5.035 1.522 303 HD12 ILE 34 1HD1 ILE 34 -3.471 -3.571 1.479 304 HD13 ILE 34 2HD1 ILE 34 -3.053 -4.939 0.451 305 H GLU 35 H GLU 35 -5.648 -1.917 2.019 306 HA GLU 35 HA GLU 35 -6.754 0.220 0.340 307 HB2 GLU 35 1HB GLU 35 -6.994 1.701 2.263 308 HB3 GLU 35 2HB GLU 35 -7.992 0.269 2.459 309 HG2 GLU 35 1HG GLU 35 -7.073 -0.073 4.439 310 HG3 GLU 35 2HG GLU 35 -5.508 -0.300 3.661 311 H ILE 36 H ILE 36 -5.300 1.773 -0.253 312 HA ILE 36 HA ILE 36 -2.570 1.539 0.844 313 HB ILE 36 HB ILE 36 -3.177 2.314 -2.007 314 HG12 ILE 36 1HG1 ILE 36 -2.156 -0.164 -2.289 315 HG13 ILE 36 2HG1 ILE 36 -3.024 -0.388 -0.775 316 HG21 ILE 36 1HG2 ILE 36 -0.902 2.618 -0.577 317 HG22 ILE 36 2HG2 ILE 36 -0.961 2.416 -2.327 318 HG23 ILE 36 3HG2 ILE 36 -0.635 1.027 -1.291 319 HD11 ILE 36 3HD1 ILE 36 -4.107 0.320 -3.475 320 HD12 ILE 36 1HD1 ILE 36 -5.033 0.608 -2.003 321 HD13 ILE 36 2HD1 ILE 36 -4.534 -1.029 -2.423 322 H VAL 37 H VAL 37 -2.341 3.317 2.097 323 HA VAL 37 HA VAL 37 -3.153 5.909 0.948 324 HB VAL 37 HB VAL 37 -3.303 6.790 3.240 325 HG11 VAL 37 1HG1 VAL 37 -5.460 6.271 3.200 326 HG12 VAL 37 2HG1 VAL 37 -5.123 4.596 3.636 327 HG13 VAL 37 3HG1 VAL 37 -5.100 5.089 1.942 328 HG21 VAL 37 3HG2 VAL 37 -3.267 4.052 4.395 329 HG22 VAL 37 1HG2 VAL 37 -2.887 5.603 5.143 330 HG23 VAL 37 2HG2 VAL 37 -1.723 4.834 4.065 331 H LEU 38 H LEU 38 -1.800 7.704 1.229 332 HA LEU 38 HA LEU 38 0.715 7.627 2.510 333 HB2 LEU 38 1HB LEU 38 2.075 7.767 0.355 334 HB3 LEU 38 2HB LEU 38 1.526 6.183 0.862 335 HG LEU 38 HG LEU 38 -0.475 7.233 -0.846 336 HD11 LEU 38 1HD1 LEU 38 1.338 7.201 -2.864 337 HD12 LEU 38 2HD1 LEU 38 2.237 8.045 -1.603 338 HD13 LEU 38 3HD1 LEU 38 0.671 8.659 -2.133 339 HD21 LEU 38 3HD2 LEU 38 1.396 5.268 -1.965 340 HD22 LEU 38 1HD2 LEU 38 -0.348 5.175 -1.727 341 HD23 LEU 38 2HD2 LEU 38 0.741 4.850 -0.381 342 H LEU 39 H LEU 39 2.188 9.485 1.476 343 HA LEU 39 HA LEU 39 0.408 11.804 1.185 344 HB2 LEU 39 1HB LEU 39 3.106 11.399 2.378 345 HB3 LEU 39 2HB LEU 39 2.755 12.966 1.678 346 HG LEU 39 HG LEU 39 2.305 13.139 3.995 347 HD11 LEU 39 1HD1 LEU 39 -0.488 12.689 3.137 348 HD12 LEU 39 2HD1 LEU 39 0.471 13.818 2.179 349 HD13 LEU 39 3HD1 LEU 39 0.256 14.090 3.908 350 HD21 LEU 39 3HD2 LEU 39 2.096 11.114 4.969 351 HD22 LEU 39 1HD2 LEU 39 1.159 10.441 3.635 352 HD23 LEU 39 2HD2 LEU 39 0.377 11.483 4.824 353 H ASP 40 H ASP 40 1.293 13.636 -0.123 354 HA ASP 40 HA ASP 40 3.207 13.161 -2.157 355 HB2 ASP 40 1HB ASP 40 1.589 13.345 -4.091 356 HB3 ASP 40 2HB ASP 40 1.572 11.802 -3.244 357 H ASP 41 H ASP 41 0.236 14.991 -1.413 358 HA ASP 41 HA ASP 41 1.132 17.384 -2.679 359 HB2 ASP 41 1HB ASP 41 -1.295 16.577 -2.022 360 HB3 ASP 41 2HB ASP 41 -0.935 17.424 -0.521 361 H GLU 42 H GLU 42 1.386 16.090 0.563 362 HA GLU 42 HA GLU 42 2.272 18.588 1.702 363 HB2 GLU 42 1HB GLU 42 1.680 15.863 2.697 364 HB3 GLU 42 2HB GLU 42 2.895 16.764 3.594 365 HG2 GLU 42 1HG GLU 42 1.274 17.805 4.674 366 HG3 GLU 42 2HG GLU 42 0.767 18.539 3.153 367 H GLY 43 H GLY 43 3.720 15.575 0.573 368 HA2 GLY 43 1HA GLY 43 6.368 16.582 1.313 369 HA3 GLY 43 2HA GLY 43 5.996 14.929 0.859 370 H LYS 44 H LYS 44 5.382 18.068 -0.702 371 HA LYS 44 HA LYS 44 5.720 18.807 -2.816 372 HB2 LYS 44 1HB LYS 44 8.270 17.399 -2.138 373 HB3 LYS 44 2HB LYS 44 8.043 18.045 -3.755 374 HG2 LYS 44 1HG LYS 44 7.295 20.165 -2.241 375 HG3 LYS 44 2HG LYS 44 8.539 19.433 -1.226 376 HD2 LYS 44 1HD LYS 44 9.719 19.348 -3.680 377 HD3 LYS 44 2HD LYS 44 8.772 20.833 -3.799 378 HE2 LYS 44 1HE LYS 44 10.828 20.146 -1.701 379 HE3 LYS 44 2HE LYS 44 10.977 21.356 -2.973 380 HZ1 LYS 44 3HZ LYS 44 8.855 22.321 -1.841 381 HZ2 LYS 44 1HZ LYS 44 10.383 22.637 -1.187 382 HZ3 LYS 44 2HZ LYS 44 9.397 21.450 -0.497 383 H GLU 45 H GLU 45 4.124 17.885 -4.020 384 HA GLU 45 HA GLU 45 3.957 15.219 -4.823 385 HB2 GLU 45 1HB GLU 45 2.332 15.958 -6.474 386 HB3 GLU 45 2HB GLU 45 2.074 16.791 -4.947 387 HG2 GLU 45 1HG GLU 45 2.406 18.792 -5.864 388 HG3 GLU 45 2HG GLU 45 3.842 18.253 -6.734 389 H ILE 46 H ILE 46 5.902 17.806 -6.074 390 HA ILE 46 HA ILE 46 6.437 16.532 -8.609 391 HB ILE 46 HB ILE 46 7.960 18.819 -7.361 392 HG12 ILE 46 1HG1 ILE 46 6.307 20.001 -9.178 393 HG13 ILE 46 2HG1 ILE 46 5.257 18.735 -8.554 394 HG21 ILE 46 1HG2 ILE 46 8.217 19.363 -9.869 395 HG22 ILE 46 2HG2 ILE 46 7.747 17.682 -10.123 396 HG23 ILE 46 3HG2 ILE 46 9.188 18.063 -9.179 397 HD11 ILE 46 3HD1 ILE 46 6.061 21.229 -7.349 398 HD12 ILE 46 1HD1 ILE 46 6.392 19.859 -6.289 399 HD13 ILE 46 2HD1 ILE 46 4.760 20.125 -6.903 400 HA PRO 47 HA PRO 47 9.591 13.934 -6.685 401 HB2 PRO 47 1HB PRO 47 10.219 12.540 -8.929 402 HB3 PRO 47 2HB PRO 47 8.779 12.202 -7.962 403 HG2 PRO 47 1HG PRO 47 9.035 13.787 -10.489 404 HG3 PRO 47 2HG PRO 47 7.803 12.596 -10.039 405 HD2 PRO 47 1HD PRO 47 7.374 15.260 -9.872 406 HD3 PRO 47 2HD PRO 47 6.636 14.107 -8.744 407 H ALA 48 H ALA 48 11.874 13.180 -7.647 408 HA ALA 48 HA ALA 48 13.172 15.343 -9.117 409 HB1 ALA 48 3HB ALA 48 14.160 14.479 -6.404 410 HB2 ALA 48 1HB ALA 48 13.299 15.982 -6.740 411 HB3 ALA 48 2HB ALA 48 14.884 15.696 -7.456 412 H THR 49 H THR 49 13.773 12.297 -7.346 413 HA THR 49 HA THR 49 15.726 11.563 -9.418 414 HB THR 49 HB THR 49 15.325 10.238 -6.732 415 HG1 THR 49 HG1 THR 49 16.025 12.218 -6.195 416 HG21 THR 49 3HG2 THR 49 16.714 9.243 -8.803 417 HG22 THR 49 1HG2 THR 49 17.150 8.988 -7.113 418 HG23 THR 49 2HG2 THR 49 17.953 10.247 -8.049 419 H ILE 50 H ILE 50 13.496 9.698 -7.319 420 HA ILE 50 HA ILE 50 12.474 8.383 -9.737 421 HB ILE 50 HB ILE 50 13.268 6.921 -7.212 422 HG12 ILE 50 1HG1 ILE 50 14.495 5.876 -9.560 423 HG13 ILE 50 2HG1 ILE 50 14.755 7.616 -9.551 424 HG21 ILE 50 1HG2 ILE 50 11.699 6.122 -9.617 425 HG22 ILE 50 2HG2 ILE 50 11.466 5.689 -7.923 426 HG23 ILE 50 3HG2 ILE 50 12.757 4.931 -8.856 427 HD11 ILE 50 3HD1 ILE 50 16.490 7.197 -8.236 428 HD12 ILE 50 1HD1 ILE 50 15.958 5.546 -7.922 429 HD13 ILE 50 2HD1 ILE 50 15.316 6.877 -6.959 430 H PHE 51 H PHE 51 11.757 7.608 -6.345 431 HA PHE 51 HA PHE 51 9.823 7.600 -5.170 432 HB2 PHE 51 1HB PHE 51 10.181 10.004 -5.154 433 HB3 PHE 51 2HB PHE 51 9.375 10.158 -6.709 434 HD1 PHE 51 HD1 PHE 51 8.556 8.514 -3.444 435 HD2 PHE 51 HD2 PHE 51 7.318 11.148 -6.551 436 HE1 PHE 51 HE1 PHE 51 6.408 8.862 -2.290 437 HE2 PHE 51 HE2 PHE 51 5.174 11.500 -5.402 438 HZ PHE 51 HZ PHE 51 4.717 10.359 -3.269 439 H ASP 52 H ASP 52 8.794 5.792 -5.877 440 HA ASP 52 HA ASP 52 6.398 6.171 -7.414 441 HB2 ASP 52 1HB ASP 52 8.132 5.804 -9.188 442 HB3 ASP 52 2HB ASP 52 8.451 4.221 -8.484 443 H LYS 53 H LYS 53 4.992 5.201 -6.119 444 HA LYS 53 HA LYS 53 5.794 2.776 -4.686 445 HB2 LYS 53 1HB LYS 53 3.217 4.266 -4.259 446 HB3 LYS 53 2HB LYS 53 4.070 3.205 -3.149 447 HG2 LYS 53 1HG LYS 53 5.116 4.928 -2.244 448 HG3 LYS 53 2HG LYS 53 5.763 5.409 -3.813 449 HD2 LYS 53 1HD LYS 53 2.927 6.056 -3.138 450 HD3 LYS 53 2HD LYS 53 4.223 7.032 -2.446 451 HE2 LYS 53 1HE LYS 53 5.078 7.474 -4.707 452 HE3 LYS 53 2HE LYS 53 3.762 6.519 -5.383 453 HZ1 LYS 53 3HZ LYS 53 3.177 8.821 -3.635 454 HZ2 LYS 53 1HZ LYS 53 2.204 8.108 -4.821 455 HZ3 LYS 53 2HZ LYS 53 3.526 9.063 -5.270 456 H VAL 54 H VAL 54 5.179 0.853 -5.417 457 HA VAL 54 HA VAL 54 2.765 0.709 -7.102 458 HB VAL 54 HB VAL 54 4.850 0.357 -8.393 459 HG11 VAL 54 1HG1 VAL 54 5.699 -1.096 -6.214 460 HG12 VAL 54 2HG1 VAL 54 6.486 -1.023 -7.788 461 HG13 VAL 54 3HG1 VAL 54 5.362 -2.332 -7.426 462 HG21 VAL 54 3HG2 VAL 54 2.934 -1.945 -8.128 463 HG22 VAL 54 1HG2 VAL 54 4.145 -1.837 -9.406 464 HG23 VAL 54 2HG2 VAL 54 2.883 -0.612 -9.282 465 H ILE 55 H ILE 55 1.205 -0.609 -6.443 466 HA ILE 55 HA ILE 55 1.820 -2.569 -4.324 467 HB ILE 55 HB ILE 55 -0.854 -1.250 -4.778 468 HG12 ILE 55 1HG1 ILE 55 0.083 -0.203 -2.432 469 HG13 ILE 55 2HG1 ILE 55 1.555 -0.272 -3.395 470 HG21 ILE 55 1HG2 ILE 55 -0.782 -1.996 -2.176 471 HG22 ILE 55 2HG2 ILE 55 0.198 -3.263 -2.914 472 HG23 ILE 55 3HG2 ILE 55 -1.448 -2.984 -3.477 473 HD11 ILE 55 3HD1 ILE 55 0.285 0.940 -5.200 474 HD12 ILE 55 1HD1 ILE 55 0.627 1.861 -3.735 475 HD13 ILE 55 2HD1 ILE 55 -0.985 1.201 -4.006 476 H TYR 56 H TYR 56 0.896 -4.597 -4.414 477 HA TYR 56 HA TYR 56 -0.774 -5.285 -6.715 478 HB2 TYR 56 1HB TYR 56 1.863 -6.614 -6.069 479 HB3 TYR 56 2HB TYR 56 0.666 -7.297 -7.162 480 HD1 TYR 56 HD1 TYR 56 -0.125 -5.594 -9.071 481 HD2 TYR 56 HD2 TYR 56 3.587 -5.401 -6.999 482 HE1 TYR 56 HE1 TYR 56 0.843 -4.320 -10.937 483 HE2 TYR 56 HE2 TYR 56 4.564 -4.125 -8.860 484 HH TYR 56 HH TYR 56 2.894 -2.567 -11.105 485 H HIS 57 H HIS 57 -2.379 -6.608 -6.157 486 HA HIS 57 HA HIS 57 -2.062 -8.274 -3.752 487 HB2 HIS 57 1HB HIS 57 -4.564 -7.865 -3.385 488 HB3 HIS 57 2HB HIS 57 -3.475 -6.542 -2.990 489 HD1 HIS 57 HD1 HIS 57 -5.305 -7.583 -6.178 490 HD2 HIS 57 HD2 HIS 57 -4.575 -4.237 -3.826 491 HE1 HIS 57 HE1 HIS 57 -6.488 -5.685 -7.326 492 HE2 HIS 57 HE2 HIS 57 -5.894 -3.647 -5.969 493 H LEU 58 H LEU 58 -2.733 -10.342 -3.907 494 HA LEU 58 HA LEU 58 -3.498 -12.280 -4.770 495 HB2 LEU 58 1HB LEU 58 -5.595 -12.323 -5.626 496 HB3 LEU 58 2HB LEU 58 -5.591 -10.666 -5.062 497 HG LEU 58 HG LEU 58 -4.632 -10.486 -7.673 498 HD11 LEU 58 1HD1 LEU 58 -5.982 -12.940 -7.469 499 HD12 LEU 58 2HD1 LEU 58 -5.461 -12.107 -8.933 500 HD13 LEU 58 3HD1 LEU 58 -7.080 -11.832 -8.290 501 HD21 LEU 58 3HD2 LEU 58 -6.325 -9.013 -7.890 502 HD22 LEU 58 1HD2 LEU 58 -6.496 -9.269 -6.153 503 HD23 LEU 58 2HD2 LEU 58 -7.532 -10.144 -7.278 504 H HIS 59 H HIS 59 -3.955 -13.356 -7.106 505 HA HIS 59 HA HIS 59 -1.520 -13.550 -8.376 506 HB2 HIS 59 1HB HIS 59 -4.136 -14.622 -8.728 507 HB3 HIS 59 2HB HIS 59 -3.551 -14.108 -10.304 508 HD1 HIS 59 HD1 HIS 59 -2.115 -15.740 -11.488 509 HD2 HIS 59 HD2 HIS 59 -2.197 -16.428 -7.393 510 HE1 HIS 59 HE1 HIS 59 -0.831 -17.872 -11.139 511 HE2 HIS 59 HE2 HIS 59 -1.027 -18.344 -8.673 512 HA PRO 60 HA PRO 60 -1.130 -10.089 -11.108 513 HB2 PRO 60 1HB PRO 60 0.134 -11.765 -13.134 514 HB3 PRO 60 2HB PRO 60 0.839 -10.507 -12.116 515 HG2 PRO 60 1HG PRO 60 1.411 -13.135 -11.798 516 HG3 PRO 60 2HG PRO 60 1.401 -11.986 -10.448 517 HD2 PRO 60 1HD PRO 60 -0.694 -13.969 -11.268 518 HD3 PRO 60 2HD PRO 60 -0.115 -13.548 -9.642 519 H THR 61 H THR 61 -3.196 -12.591 -11.818 520 HA THR 61 HA THR 61 -3.790 -11.869 -14.551 521 HB THR 61 HB THR 61 -3.995 -14.207 -13.762 522 HG1 THR 61 HG1 THR 61 -5.286 -14.138 -15.409 523 HG21 THR 61 3HG2 THR 61 -6.599 -13.830 -12.502 524 HG22 THR 61 1HG2 THR 61 -5.240 -13.247 -11.543 525 HG23 THR 61 2HG2 THR 61 -5.277 -14.923 -12.090 526 H PHE 62 H PHE 62 -4.205 -10.155 -11.921 527 HA PHE 62 HA PHE 62 -6.932 -9.577 -11.694 528 HB2 PHE 62 1HB PHE 62 -6.062 -7.356 -10.764 529 HB3 PHE 62 2HB PHE 62 -5.543 -8.820 -9.946 530 HD1 PHE 62 HD2 PHE 62 -4.357 -6.819 -12.884 531 HD2 PHE 62 HD1 PHE 62 -3.377 -8.747 -9.218 532 HE1 PHE 62 HE2 PHE 62 -2.008 -6.155 -13.166 533 HE2 PHE 62 HE1 PHE 62 -1.026 -8.082 -9.495 534 HZ PHE 62 HZ PHE 62 -0.338 -6.786 -11.471 535 H ALA 63 H ALA 63 -7.999 -7.522 -12.298 536 HA ALA 63 HA ALA 63 -7.731 -7.067 -15.120 537 HB1 ALA 63 3HB ALA 63 -9.468 -5.277 -13.549 538 HB2 ALA 63 1HB ALA 63 -9.843 -6.999 -13.463 539 HB3 ALA 63 2HB ALA 63 -9.803 -6.182 -15.025 540 H ASN 64 H ASN 64 -7.361 -5.031 -12.215 541 HA ASN 64 HA ASN 64 -5.494 -3.339 -13.714 542 HB2 ASN 64 1HB ASN 64 -7.986 -2.434 -12.307 543 HB3 ASN 64 2HB ASN 64 -6.596 -1.360 -12.416 544 HD21 ASN 64 2HD2 ASN 64 -6.583 -0.044 -14.092 545 HD22 ASN 64 1HD2 ASN 64 -7.399 -0.302 -15.593 546 HA PRO 65 HA PRO 65 -3.340 -4.156 -9.836 547 HB2 PRO 65 1HB PRO 65 -0.982 -3.034 -10.576 548 HB3 PRO 65 2HB PRO 65 -1.481 -4.644 -11.103 549 HG2 PRO 65 1HG PRO 65 -1.623 -2.042 -12.571 550 HG3 PRO 65 2HG PRO 65 -1.137 -3.639 -13.168 551 HD2 PRO 65 1HD PRO 65 -3.598 -2.587 -13.618 552 HD3 PRO 65 2HD PRO 65 -3.310 -4.331 -13.462 553 H ASN 66 H ASN 66 -1.803 -2.648 -8.462 554 HA ASN 66 HA ASN 66 -3.103 -0.006 -8.321 555 HB2 ASN 66 1HB ASN 66 -2.136 -1.897 -6.208 556 HB3 ASN 66 2HB ASN 66 -2.164 -0.172 -5.866 557 HD21 ASN 66 2HD2 ASN 66 -4.249 0.936 -6.219 558 HD22 ASN 66 1HD2 ASN 66 -5.698 0.066 -5.864 559 H ARG 67 H ARG 67 -1.891 1.751 -8.609 560 HA ARG 67 HA ARG 67 0.971 1.652 -8.040 561 HB2 ARG 67 1HB ARG 67 0.163 1.268 -10.606 562 HB3 ARG 67 2HB ARG 67 0.310 3.019 -10.571 563 HG2 ARG 67 1HG ARG 67 2.572 2.967 -10.285 564 HG3 ARG 67 2HG ARG 67 2.543 1.407 -9.462 565 HD2 ARG 67 1HD ARG 67 2.352 0.220 -11.465 566 HD3 ARG 67 2HD ARG 67 1.824 1.642 -12.364 567 HE ARG 67 HE ARG 67 4.525 0.836 -11.821 568 HH11 ARG 67 1HH1 ARG 67 2.446 3.550 -12.577 569 HH12 ARG 67 2HH1 ARG 67 3.724 4.500 -13.254 570 HH21 ARG 67 1HH2 ARG 67 6.208 2.095 -12.704 571 HH22 ARG 67 2HH2 ARG 67 5.862 3.673 -13.326 572 H THR 68 H THR 68 1.516 3.369 -6.881 573 HA THR 68 HA THR 68 -0.205 5.749 -7.011 574 HB THR 68 HB THR 68 1.722 5.625 -4.806 575 HG1 THR 68 HG1 THR 68 1.171 3.791 -3.978 576 HG21 THR 68 3HG2 THR 68 0.104 7.231 -4.503 577 HG22 THR 68 1HG2 THR 68 -0.495 5.897 -3.519 578 HG23 THR 68 2HG2 THR 68 -1.187 6.197 -5.113 579 H PHE 69 H PHE 69 0.610 7.727 -7.412 580 HA PHE 69 HA PHE 69 3.425 8.284 -7.449 581 HB2 PHE 69 1HB PHE 69 2.998 7.076 -9.637 582 HB3 PHE 69 2HB PHE 69 1.963 8.423 -10.094 583 HD1 PHE 69 HD2 PHE 69 5.425 7.431 -9.322 584 HD2 PHE 69 HD1 PHE 69 2.877 10.481 -10.846 585 HE1 PHE 69 HE2 PHE 69 7.389 8.635 -10.185 586 HE2 PHE 69 HE1 PHE 69 4.837 11.689 -11.713 587 HZ PHE 69 HZ PHE 69 7.096 10.768 -11.382 588 H THR 70 H THR 70 0.335 9.377 -8.862 589 HA THR 70 HA THR 70 0.561 11.885 -7.386 590 HB THR 70 HB THR 70 -0.273 12.970 -9.669 591 HG1 THR 70 HG1 THR 70 -0.197 11.149 -10.941 592 HG21 THR 70 3HG2 THR 70 2.575 12.403 -8.926 593 HG22 THR 70 1HG2 THR 70 1.639 13.871 -8.644 594 HG23 THR 70 2HG2 THR 70 2.125 13.435 -10.283 595 H ASP 71 H ASP 71 -1.153 9.652 -6.973 596 HA ASP 71 HA ASP 71 -3.762 10.888 -7.547 597 HB2 ASP 71 1HB ASP 71 -2.839 8.145 -8.155 598 HB3 ASP 71 2HB ASP 71 -4.440 8.265 -7.431 599 HA PRO 72 HA PRO 72 -4.813 10.540 -3.281 600 HB2 PRO 72 1HB PRO 72 -7.385 9.274 -4.018 601 HB3 PRO 72 2HB PRO 72 -7.083 10.788 -3.162 602 HG2 PRO 72 1HG PRO 72 -7.969 10.783 -5.679 603 HG3 PRO 72 2HG PRO 72 -6.798 11.992 -5.121 604 HD2 PRO 72 1HD PRO 72 -6.342 9.517 -6.749 605 HD3 PRO 72 2HD PRO 72 -5.634 11.136 -6.936 606 HA PRO 73 HA PRO 73 -4.287 6.437 -1.704 607 HB2 PRO 73 1HB PRO 73 -5.818 6.338 0.516 608 HB3 PRO 73 2HB PRO 73 -4.371 7.349 0.410 609 HG2 PRO 73 1HG PRO 73 -7.248 8.117 0.098 610 HG3 PRO 73 2HG PRO 73 -5.953 8.958 0.970 611 HD2 PRO 73 1HD PRO 73 -6.788 9.679 -1.520 612 HD3 PRO 73 2HD PRO 73 -5.130 9.933 -0.941 613 H PHE 74 H PHE 74 -5.080 4.345 -1.732 614 HA PHE 74 HA PHE 74 -7.761 4.029 -2.883 615 HB2 PHE 74 1HB PHE 74 -5.234 2.448 -2.990 616 HB3 PHE 74 2HB PHE 74 -6.756 1.578 -3.146 617 HD1 PHE 74 HD1 PHE 74 -4.982 4.549 -4.542 618 HD2 PHE 74 HD2 PHE 74 -7.690 1.341 -5.236 619 HE1 PHE 74 HE1 PHE 74 -5.072 5.146 -6.928 620 HE2 PHE 74 HE2 PHE 74 -7.785 1.933 -7.622 621 HZ PHE 74 HZ PHE 74 -6.475 3.836 -8.470 622 H ARG 75 H ARG 75 -9.150 2.313 -2.137 623 HA ARG 75 HA ARG 75 -8.678 0.847 0.238 624 HB2 ARG 75 1HB ARG 75 -8.978 3.232 1.101 625 HB3 ARG 75 2HB ARG 75 -10.652 3.104 0.581 626 HG2 ARG 75 1HG ARG 75 -11.224 1.929 2.380 627 HG3 ARG 75 2HG ARG 75 -9.838 0.848 2.216 628 HD2 ARG 75 1HD ARG 75 -8.737 1.905 3.839 629 HD3 ARG 75 2HD ARG 75 -8.989 3.468 3.067 630 HE ARG 75 HE ARG 75 -10.418 2.402 5.294 631 HH11 ARG 75 1HH1 ARG 75 -10.729 4.505 2.511 632 HH12 ARG 75 2HH1 ARG 75 -12.009 5.440 3.205 633 HH21 ARG 75 1HH2 ARG 75 -12.109 3.637 6.202 634 HH22 ARG 75 2HH2 ARG 75 -12.791 4.950 5.300 635 H ILE 76 H ILE 76 -9.473 -0.784 -1.153 636 HA ILE 76 HA ILE 76 -12.407 -0.828 -1.366 637 HB ILE 76 HB ILE 76 -10.615 -1.832 -3.579 638 HG12 ILE 76 1HG1 ILE 76 -11.915 0.247 -4.715 639 HG13 ILE 76 2HG1 ILE 76 -11.739 0.868 -3.077 640 HG21 ILE 76 1HG2 ILE 76 -13.593 -1.500 -3.311 641 HG22 ILE 76 2HG2 ILE 76 -12.681 -2.987 -3.580 642 HG23 ILE 76 3HG2 ILE 76 -12.786 -1.772 -4.854 643 HD11 ILE 76 3HD1 ILE 76 -9.247 0.114 -3.411 644 HD12 ILE 76 1HD1 ILE 76 -9.829 1.655 -4.041 645 HD13 ILE 76 2HD1 ILE 76 -9.667 0.268 -5.117 646 H GLU 77 H GLU 77 -13.352 -2.917 -1.372 647 HA GLU 77 HA GLU 77 -11.551 -5.088 -0.521 648 HB2 GLU 77 1HB GLU 77 -13.429 -5.915 0.905 649 HB3 GLU 77 2HB GLU 77 -12.762 -4.375 1.422 650 HG2 GLU 77 1HG GLU 77 -15.031 -4.044 1.635 651 HG3 GLU 77 2HG GLU 77 -14.689 -3.335 0.059 652 H GLU 78 H GLU 78 -12.309 -7.264 -0.965 653 HA GLU 78 HA GLU 78 -14.261 -7.433 -3.153 654 HB2 GLU 78 1HB GLU 78 -11.414 -8.260 -3.139 655 HB3 GLU 78 2HB GLU 78 -12.548 -9.372 -3.892 656 HG2 GLU 78 1HG GLU 78 -12.553 -8.150 -5.730 657 HG3 GLU 78 2HG GLU 78 -13.127 -6.752 -4.821 658 H GLN 79 H GLN 79 -15.549 -9.210 -3.187 659 HA GLN 79 HA GLN 79 -15.169 -11.190 -1.036 660 HB2 GLN 79 1HB GLN 79 -16.977 -9.750 -0.376 661 HB3 GLN 79 2HB GLN 79 -17.710 -9.842 -1.970 662 HG2 GLN 79 1HG GLN 79 -17.450 -12.475 -0.853 663 HG3 GLN 79 2HG GLN 79 -18.281 -11.408 0.276 664 HE21 GLN 79 2HE2 GLN 79 -19.888 -9.887 -1.002 665 HE22 GLN 79 1HE2 GLN 79 -20.967 -10.737 -2.050 666 H GLY 80 H GLY 80 -15.395 -13.314 -1.602 667 HA2 GLY 80 1HA GLY 80 -16.692 -14.880 -3.097 668 HA3 GLY 80 2HA GLY 80 -16.125 -13.871 -4.413 669 H TRP 81 H TRP 81 -15.196 -15.764 -5.359 670 HA TRP 81 HA TRP 81 -13.166 -17.242 -3.981 671 HB2 TRP 81 1HB TRP 81 -14.254 -17.210 -6.764 672 HB3 TRP 81 2HB TRP 81 -12.711 -17.994 -6.466 673 HD1 TRP 81 HD1 TRP 81 -14.155 -18.868 -3.417 674 HE1 TRP 81 HE1 TRP 81 -15.488 -21.067 -3.492 675 HE3 TRP 81 HE3 TRP 81 -14.785 -19.265 -8.477 676 HZ2 TRP 81 HZ2 TRP 81 -16.652 -22.752 -5.439 677 HZ3 TRP 81 HZ3 TRP 81 -16.020 -21.200 -9.363 678 HH2 TRP 81 HH2 TRP 81 -16.933 -22.906 -7.876 679 H GLY 82 H GLY 82 -11.045 -16.901 -3.887 680 HA2 GLY 82 1HA GLY 82 -9.366 -15.819 -5.776 681 HA3 GLY 82 2HA GLY 82 -9.921 -14.451 -4.823 682 H GLY 83 H GLY 83 -8.380 -13.888 -3.438 683 HA2 GLY 83 1HA GLY 83 -7.004 -14.053 -1.586 684 HA3 GLY 83 2HA GLY 83 -7.487 -15.735 -1.438 685 H PHE 84 H PHE 84 -5.025 -13.583 -2.396 686 HA PHE 84 HA PHE 84 -3.235 -15.790 -2.918 687 HB2 PHE 84 1HB PHE 84 -4.209 -13.989 -5.073 688 HB3 PHE 84 2HB PHE 84 -2.496 -14.388 -5.081 689 HD1 PHE 84 HD2 PHE 84 -2.412 -17.161 -4.257 690 HD2 PHE 84 HD1 PHE 84 -5.229 -15.170 -6.755 691 HE1 PHE 84 HE2 PHE 84 -2.923 -19.291 -5.377 692 HE2 PHE 84 HE1 PHE 84 -5.742 -17.298 -7.875 693 HZ PHE 84 HZ PHE 84 -4.589 -19.362 -7.187 694 HA PRO 85 HA PRO 85 0.111 -13.430 -1.307 695 HB2 PRO 85 1HB PRO 85 1.318 -13.291 -4.037 696 HB3 PRO 85 2HB PRO 85 2.056 -13.758 -2.502 697 HG2 PRO 85 1HG PRO 85 1.362 -15.616 -4.252 698 HG3 PRO 85 2HG PRO 85 1.060 -15.868 -2.520 699 HD2 PRO 85 1HD PRO 85 -0.851 -15.147 -4.697 700 HD3 PRO 85 2HD PRO 85 -1.095 -16.184 -3.279 701 H LEU 86 H LEU 86 1.377 -11.414 -1.448 702 HA LEU 86 HA LEU 86 0.115 -9.296 -3.042 703 HB2 LEU 86 1HB LEU 86 -0.056 -9.647 -0.191 704 HB3 LEU 86 2HB LEU 86 0.830 -8.177 -0.547 705 HG LEU 86 HG LEU 86 -1.187 -7.664 -2.131 706 HD11 LEU 86 1HD1 LEU 86 -2.101 -10.000 -0.591 707 HD12 LEU 86 2HD1 LEU 86 -2.637 -9.385 -2.154 708 HD13 LEU 86 3HD1 LEU 86 -3.228 -8.646 -0.667 709 HD21 LEU 86 3HD2 LEU 86 -0.983 -6.128 -0.471 710 HD22 LEU 86 1HD2 LEU 86 -0.891 -7.346 0.801 711 HD23 LEU 86 2HD2 LEU 86 -2.450 -6.926 0.092 712 H ASP 87 H ASP 87 1.443 -7.337 -3.195 713 HA ASP 87 HA ASP 87 4.212 -7.488 -2.386 714 HB2 ASP 87 1HB ASP 87 4.089 -8.855 -4.488 715 HB3 ASP 87 2HB ASP 87 3.572 -7.404 -5.342 716 H ILE 88 H ILE 88 4.743 -5.483 -1.763 717 HA ILE 88 HA ILE 88 3.711 -3.205 -3.313 718 HB ILE 88 HB ILE 88 3.832 -3.144 -0.301 719 HG12 ILE 88 1HG1 ILE 88 1.176 -3.081 -0.818 720 HG13 ILE 88 2HG1 ILE 88 1.708 -4.166 -2.101 721 HG21 ILE 88 1HG2 ILE 88 2.062 -1.257 -0.995 722 HG22 ILE 88 2HG2 ILE 88 3.073 -1.255 -2.440 723 HG23 ILE 88 3HG2 ILE 88 3.795 -0.957 -0.859 724 HD11 ILE 88 3HD1 ILE 88 2.790 -5.582 -0.402 725 HD12 ILE 88 1HD1 ILE 88 1.047 -5.443 -0.179 726 HD13 ILE 88 2HD1 ILE 88 2.145 -4.525 0.853 727 H SER 89 H SER 89 5.293 -1.873 -3.928 728 HA SER 89 HA SER 89 7.727 -1.746 -2.276 729 HB2 SER 89 1HB SER 89 9.118 -1.993 -4.075 730 HB3 SER 89 2HB SER 89 7.749 -2.922 -4.683 731 HG SER 89 HG SER 89 8.208 -1.534 -6.294 732 H VAL 90 H VAL 90 8.120 0.195 -1.508 733 HA VAL 90 HA VAL 90 6.842 2.508 -2.796 734 HB VAL 90 HB VAL 90 7.916 2.370 0.021 735 HG11 VAL 90 1HG1 VAL 90 5.803 4.230 -0.319 736 HG12 VAL 90 2HG1 VAL 90 6.973 4.493 -1.612 737 HG13 VAL 90 3HG1 VAL 90 7.494 4.546 0.072 738 HG21 VAL 90 3HG2 VAL 90 6.208 0.800 0.103 739 HG22 VAL 90 1HG2 VAL 90 5.226 1.657 -1.086 740 HG23 VAL 90 2HG2 VAL 90 5.382 2.291 0.552 741 H PHE 91 H PHE 91 8.188 3.610 -4.073 742 HA PHE 91 HA PHE 91 11.021 3.768 -3.320 743 HB2 PHE 91 1HB PHE 91 9.586 3.972 -5.939 744 HB3 PHE 91 2HB PHE 91 11.148 4.760 -5.749 745 HD1 PHE 91 HD2 PHE 91 9.389 1.552 -5.854 746 HD2 PHE 91 HD1 PHE 91 13.170 3.478 -5.511 747 HE1 PHE 91 HE2 PHE 91 10.517 -0.592 -6.280 748 HE2 PHE 91 HE1 PHE 91 14.304 1.337 -5.936 749 HZ PHE 91 HZ PHE 91 12.977 -0.702 -6.320 750 H LEU 92 H LEU 92 12.135 5.810 -3.574 751 HA LEU 92 HA LEU 92 10.494 8.216 -3.552 752 HB2 LEU 92 1HB LEU 92 11.199 8.983 -1.436 753 HB3 LEU 92 2HB LEU 92 10.698 7.323 -1.193 754 HG LEU 92 HG LEU 92 13.541 8.327 -1.365 755 HD11 LEU 92 1HD1 LEU 92 13.438 7.203 1.004 756 HD12 LEU 92 2HD1 LEU 92 11.718 7.565 0.857 757 HD13 LEU 92 3HD1 LEU 92 12.905 8.867 0.760 758 HD21 LEU 92 3HD2 LEU 92 13.952 5.888 -0.574 759 HD22 LEU 92 1HD2 LEU 92 13.717 6.216 -2.290 760 HD23 LEU 92 2HD2 LEU 92 12.390 5.567 -1.328 761 H LEU 93 H LEU 93 12.589 9.936 -2.593 762 HA LEU 93 HA LEU 93 13.952 10.496 -4.951 763 HB2 LEU 93 1HB LEU 93 14.806 11.220 -2.145 764 HB3 LEU 93 2HB LEU 93 15.372 11.983 -3.618 765 HG LEU 93 HG LEU 93 12.448 11.999 -2.962 766 HD11 LEU 93 1HD1 LEU 93 13.019 12.973 -1.000 767 HD12 LEU 93 2HD1 LEU 93 13.156 14.392 -2.038 768 HD13 LEU 93 3HD1 LEU 93 14.601 13.489 -1.583 769 HD21 LEU 93 3HD2 LEU 93 13.761 12.824 -5.146 770 HD22 LEU 93 1HD2 LEU 93 13.870 14.290 -4.172 771 HD23 LEU 93 2HD2 LEU 93 12.293 13.600 -4.552 772 H GLU 94 H GLU 94 15.530 9.292 -1.959 773 HA GLU 94 HA GLU 94 16.877 7.154 -3.175 774 HB2 GLU 94 1HB GLU 94 17.977 9.518 -4.029 775 HB3 GLU 94 2HB GLU 94 18.984 9.140 -2.638 776 HG2 GLU 94 1HG GLU 94 19.420 6.912 -3.615 777 HG3 GLU 94 2HG GLU 94 18.499 7.394 -5.040 778 H LYS 95 H LYS 95 15.502 7.543 -0.821 779 HA LYS 95 HA LYS 95 17.586 7.451 1.249 780 HB2 LYS 95 1HB LYS 95 15.076 8.804 1.116 781 HB3 LYS 95 2HB LYS 95 14.983 7.608 2.398 782 HG2 LYS 95 1HG LYS 95 15.811 9.355 3.581 783 HG3 LYS 95 2HG LYS 95 17.331 8.638 3.042 784 HD2 LYS 95 1HD LYS 95 15.897 10.869 1.602 785 HD3 LYS 95 2HD LYS 95 17.211 11.114 2.754 786 HE2 LYS 95 1HE LYS 95 18.464 9.407 1.194 787 HE3 LYS 95 2HE LYS 95 17.276 9.947 0.010 788 HZ1 LYS 95 3HZ LYS 95 18.009 12.272 0.585 789 HZ2 LYS 95 1HZ LYS 95 19.139 11.327 -0.252 790 HZ3 LYS 95 2HZ LYS 95 19.311 11.576 1.413 791 H ALA 96 H ALA 96 16.147 6.208 3.247 792 HA ALA 96 HA ALA 96 16.424 3.460 2.515 793 HB1 ALA 96 3HB ALA 96 15.880 2.958 4.799 794 HB2 ALA 96 1HB ALA 96 15.240 4.582 5.048 795 HB3 ALA 96 2HB ALA 96 16.966 4.348 4.768 796 H GLY 97 H GLY 97 13.828 5.650 2.272 797 HA2 GLY 97 1HA GLY 97 11.603 4.096 2.845 798 HA3 GLY 97 2HA GLY 97 11.639 5.400 1.671 799 H GLU 98 H GLU 98 13.733 3.966 0.067 800 HA GLU 98 HA GLU 98 11.995 2.592 -1.694 801 HB2 GLU 98 1HB GLU 98 14.072 1.957 -2.909 802 HB3 GLU 98 2HB GLU 98 13.963 3.677 -2.573 803 HG2 GLU 98 1HG GLU 98 15.919 3.639 -1.546 804 HG3 GLU 98 2HG GLU 98 15.345 2.409 -0.425 805 H ARG 99 H ARG 99 10.978 1.031 -0.359 806 HA ARG 99 HA ARG 99 12.536 -1.434 -0.150 807 HB2 ARG 99 1HB ARG 99 11.897 0.133 2.092 808 HB3 ARG 99 2HB ARG 99 10.772 -1.218 2.128 809 HG2 ARG 99 1HG ARG 99 12.441 -2.777 2.394 810 HG3 ARG 99 2HG ARG 99 13.672 -1.739 1.676 811 HD2 ARG 99 1HD ARG 99 12.576 -0.515 4.040 812 HD3 ARG 99 2HD ARG 99 13.145 -2.143 4.399 813 HE ARG 99 HE ARG 99 14.748 0.141 3.870 814 HH11 ARG 99 1HH1 ARG 99 14.627 -3.324 3.380 815 HH12 ARG 99 2HH1 ARG 99 16.347 -3.502 3.325 816 HH21 ARG 99 1HH2 ARG 99 17.018 -0.100 3.792 817 HH22 ARG 99 2HH2 ARG 99 17.705 -1.673 3.562 818 H LYS 100 H LYS 100 11.262 -3.362 -0.025 819 HA LYS 100 HA LYS 100 8.488 -3.018 -0.959 820 HB2 LYS 100 1HB LYS 100 10.214 -3.843 -2.668 821 HB3 LYS 100 2HB LYS 100 10.268 -5.326 -1.724 822 HG2 LYS 100 1HG LYS 100 7.833 -5.595 -2.078 823 HG3 LYS 100 2HG LYS 100 7.863 -4.172 -3.121 824 HD2 LYS 100 1HD LYS 100 9.641 -6.541 -3.619 825 HD3 LYS 100 2HD LYS 100 7.993 -6.467 -4.240 826 HE2 LYS 100 1HE LYS 100 8.463 -4.625 -5.606 827 HE3 LYS 100 2HE LYS 100 9.953 -4.253 -4.739 828 HZ1 LYS 100 3HZ LYS 100 10.476 -6.714 -5.635 829 HZ2 LYS 100 1HZ LYS 100 10.886 -5.303 -6.472 830 HZ3 LYS 100 2HZ LYS 100 9.481 -6.148 -6.880 831 H ILE 101 H ILE 101 6.941 -4.476 -0.179 832 HA ILE 101 HA ILE 101 7.819 -6.427 1.828 833 HB ILE 101 HB ILE 101 5.514 -4.549 2.340 834 HG12 ILE 101 1HG1 ILE 101 7.225 -3.759 4.197 835 HG13 ILE 101 2HG1 ILE 101 8.418 -4.323 3.033 836 HG21 ILE 101 1HG2 ILE 101 6.870 -6.701 3.927 837 HG22 ILE 101 2HG2 ILE 101 5.157 -6.507 3.554 838 HG23 ILE 101 3HG2 ILE 101 5.935 -5.427 4.711 839 HD11 ILE 101 3HD1 ILE 101 8.279 -2.220 2.271 840 HD12 ILE 101 1HD1 ILE 101 6.682 -1.960 2.970 841 HD13 ILE 101 2HD1 ILE 101 6.844 -2.819 1.438 842 HA PRO 102 HA PRO 102 4.629 -8.603 -0.505 843 HB2 PRO 102 1HB PRO 102 5.573 -11.064 -0.145 844 HB3 PRO 102 2HB PRO 102 6.430 -9.915 -1.182 845 HG2 PRO 102 1HG PRO 102 7.053 -10.784 1.605 846 HG3 PRO 102 2HG PRO 102 8.157 -10.426 0.268 847 HD2 PRO 102 1HD PRO 102 7.480 -8.684 2.359 848 HD3 PRO 102 2HD PRO 102 8.271 -8.229 0.837 849 H HIS 103 H HIS 103 2.875 -9.980 0.033 850 HA HIS 103 HA HIS 103 2.588 -10.777 2.838 851 HB2 HIS 103 1HB HIS 103 0.943 -8.760 1.395 852 HB3 HIS 103 2HB HIS 103 0.080 -9.896 2.422 853 HD1 HIS 103 HD1 HIS 103 -0.081 -7.058 3.276 854 HD2 HIS 103 HD2 HIS 103 3.045 -9.528 4.457 855 HE1 HIS 103 HE1 HIS 103 0.847 -6.014 5.366 856 HE2 HIS 103 HE2 HIS 103 2.820 -7.455 5.986 857 H ASP 104 H ASP 104 0.456 -12.080 3.101 858 HA ASP 104 HA ASP 104 -0.079 -13.659 0.678 859 HB2 ASP 104 1HB ASP 104 0.962 -14.599 3.295 860 HB3 ASP 104 2HB ASP 104 -0.291 -15.588 2.552 861 H LEU 105 H LEU 105 -2.187 -13.609 0.223 862 HA LEU 105 HA LEU 105 -4.072 -13.187 2.450 863 HB2 LEU 105 1HB LEU 105 -3.859 -11.392 0.695 864 HB3 LEU 105 2HB LEU 105 -4.540 -12.532 -0.449 865 HG LEU 105 HG LEU 105 -6.434 -12.650 1.451 866 HD11 LEU 105 1HD1 LEU 105 -5.001 -10.077 1.834 867 HD12 LEU 105 2HD1 LEU 105 -5.796 -11.118 3.015 868 HD13 LEU 105 3HD1 LEU 105 -6.759 -10.090 1.955 869 HD21 LEU 105 3HD2 LEU 105 -6.708 -10.304 -0.304 870 HD22 LEU 105 1HD2 LEU 105 -7.753 -11.711 -0.112 871 HD23 LEU 105 2HD2 LEU 105 -6.303 -11.818 -1.110 872 H ASN 106 H ASN 106 -4.337 -15.432 2.910 873 HA ASN 106 HA ASN 106 -6.436 -16.632 1.396 874 HB2 ASN 106 1HB ASN 106 -4.218 -17.174 0.128 875 HB3 ASN 106 2HB ASN 106 -3.964 -18.334 1.429 876 HD21 ASN 106 2HD2 ASN 106 -6.779 -17.302 -0.491 877 HD22 ASN 106 1HD2 ASN 106 -7.248 -18.896 -0.965 878 H PHE 107 H PHE 107 -6.159 -15.864 4.095 879 HA PHE 107 HA PHE 107 -6.619 -18.455 5.376 880 HB2 PHE 107 1HB PHE 107 -4.725 -16.345 6.420 881 HB3 PHE 107 2HB PHE 107 -5.334 -17.676 7.399 882 HD1 PHE 107 HD2 PHE 107 -4.925 -20.060 6.471 883 HD2 PHE 107 HD1 PHE 107 -2.774 -16.616 5.194 884 HE1 PHE 107 HE2 PHE 107 -3.117 -21.504 5.637 885 HE2 PHE 107 HE1 PHE 107 -0.961 -18.056 4.357 886 HZ PHE 107 HZ PHE 107 -1.132 -20.504 4.577 887 H LEU 108 H LEU 108 -8.207 -18.472 6.906 888 HA LEU 108 HA LEU 108 -10.107 -16.400 6.946 889 HB2 LEU 108 1HB LEU 108 -9.915 -18.419 9.162 890 HB3 LEU 108 2HB LEU 108 -11.345 -17.693 8.456 891 HG LEU 108 HG LEU 108 -10.361 -19.059 6.318 892 HD11 LEU 108 1HD1 LEU 108 -9.309 -20.997 6.854 893 HD12 LEU 108 2HD1 LEU 108 -10.044 -21.088 8.452 894 HD13 LEU 108 3HD1 LEU 108 -8.693 -19.992 8.166 895 HD21 LEU 108 3HD2 LEU 108 -12.291 -20.241 6.474 896 HD22 LEU 108 1HD2 LEU 108 -12.648 -19.027 7.700 897 HD23 LEU 108 2HD2 LEU 108 -12.055 -20.617 8.180 898 H GLN 109 H GLN 109 -10.234 -14.594 8.097 899 HA GLN 109 HA GLN 109 -9.832 -12.959 9.618 900 HB2 GLN 109 1HB GLN 109 -8.871 -15.240 11.361 901 HB3 GLN 109 2HB GLN 109 -9.164 -13.598 11.914 902 HG2 GLN 109 1HG GLN 109 -11.457 -13.805 11.745 903 HG3 GLN 109 2HG GLN 109 -11.358 -15.126 10.583 904 HE21 GLN 109 2HE2 GLN 109 -13.040 -15.885 12.215 905 HE22 GLN 109 1HE2 GLN 109 -12.453 -16.844 13.526 906 H GLU 110 H GLU 110 -8.238 -12.230 8.096 907 HA GLU 110 HA GLU 110 -5.455 -12.683 8.925 908 HB2 GLU 110 1HB GLU 110 -6.020 -13.286 6.592 909 HB3 GLU 110 2HB GLU 110 -6.523 -11.628 6.307 910 HG2 GLU 110 1HG GLU 110 -4.275 -10.831 6.647 911 HG3 GLU 110 2HG GLU 110 -3.737 -12.455 7.081 912 H SER 111 H SER 111 -4.206 -11.035 9.552 913 HA SER 111 HA SER 111 -5.218 -8.290 9.304 914 HB2 SER 111 1HB SER 111 -5.609 -9.398 11.620 915 HB3 SER 111 2HB SER 111 -3.867 -9.219 11.829 916 HG SER 111 HG SER 111 -4.075 -7.027 11.690 917 H TYR 112 H TYR 112 -3.623 -8.522 7.497 918 HA TYR 112 HA TYR 112 -0.862 -8.169 8.441 919 HB2 TYR 112 1HB TYR 112 -2.022 -9.297 5.920 920 HB3 TYR 112 2HB TYR 112 -0.426 -8.555 5.870 921 HD1 TYR 112 HD2 TYR 112 0.713 -9.399 8.458 922 HD2 TYR 112 HD1 TYR 112 -1.641 -11.576 5.660 923 HE1 TYR 112 HE2 TYR 112 1.715 -11.497 9.257 924 HE2 TYR 112 HE1 TYR 112 -0.646 -13.680 6.451 925 HH TYR 112 HH TYR 112 0.557 -14.321 8.962 926 H GLU 113 H GLU 113 -0.159 -6.170 8.459 927 HA GLU 113 HA GLU 113 -0.753 -4.359 6.287 928 HB2 GLU 113 1HB GLU 113 -1.890 -2.707 7.505 929 HB3 GLU 113 2HB GLU 113 -2.654 -4.209 7.982 930 HG2 GLU 113 1HG GLU 113 -0.806 -4.034 9.907 931 HG3 GLU 113 2HG GLU 113 -1.031 -2.322 9.559 932 H VAL 114 H VAL 114 0.905 -3.029 5.880 933 HA VAL 114 HA VAL 114 3.092 -2.924 7.853 934 HB VAL 114 HB VAL 114 3.303 -2.427 4.880 935 HG11 VAL 114 1HG1 VAL 114 5.728 -2.776 5.308 936 HG12 VAL 114 2HG1 VAL 114 5.377 -2.808 7.036 937 HG13 VAL 114 3HG1 VAL 114 5.066 -1.347 6.100 938 HG21 VAL 114 3HG2 VAL 114 2.735 -4.845 5.937 939 HG22 VAL 114 1HG2 VAL 114 4.495 -4.863 6.023 940 HG23 VAL 114 2HG2 VAL 114 3.690 -4.607 4.476 941 H GLU 115 H GLU 115 4.116 -0.996 8.333 942 HA GLU 115 HA GLU 115 2.940 1.463 7.228 943 HB2 GLU 115 1HB GLU 115 3.495 0.902 10.147 944 HB3 GLU 115 2HB GLU 115 3.054 2.473 9.499 945 HG2 GLU 115 1HG GLU 115 0.911 1.971 9.676 946 HG3 GLU 115 2HG GLU 115 1.128 0.584 8.613 947 H HIS 116 H HIS 116 4.562 2.366 6.129 948 HA HIS 116 HA HIS 116 7.235 2.452 7.376 949 HB2 HIS 116 1HB HIS 116 6.468 1.609 4.794 950 HB3 HIS 116 2HB HIS 116 7.294 3.149 4.583 951 HD1 HIS 116 HD1 HIS 116 8.042 0.160 6.837 952 HD2 HIS 116 HD2 HIS 116 9.857 2.588 3.995 953 HE1 HIS 116 HE1 HIS 116 10.420 -0.643 6.687 954 HE2 HIS 116 HE2 HIS 116 11.535 0.954 5.088 955 H VAL 117 H VAL 117 8.447 4.407 7.233 956 HA VAL 117 HA VAL 117 6.836 6.808 6.641 957 HB VAL 117 HB VAL 117 7.006 6.472 9.072 958 HG11 VAL 117 1HG1 VAL 117 9.830 6.059 8.418 959 HG12 VAL 117 2HG1 VAL 117 8.883 5.479 9.787 960 HG13 VAL 117 3HG1 VAL 117 9.555 7.110 9.807 961 HG21 VAL 117 3HG2 VAL 117 8.709 8.813 8.236 962 HG22 VAL 117 1HG2 VAL 117 7.666 8.688 9.652 963 HG23 VAL 117 2HG2 VAL 117 6.957 8.756 8.039 964 H ILE 118 H ILE 118 7.926 8.633 5.881 965 HA ILE 118 HA ILE 118 10.778 8.410 5.258 966 HB ILE 118 HB ILE 118 8.754 9.150 3.139 967 HG12 ILE 118 1HG1 ILE 118 10.309 6.568 3.426 968 HG13 ILE 118 2HG1 ILE 118 8.582 6.751 3.721 969 HG21 ILE 118 1HG2 ILE 118 11.146 10.079 3.109 970 HG22 ILE 118 2HG2 ILE 118 10.535 9.311 1.644 971 HG23 ILE 118 3HG2 ILE 118 11.632 8.431 2.708 972 HD11 ILE 118 3HD1 ILE 118 9.614 5.898 1.403 973 HD12 ILE 118 1HD1 ILE 118 9.539 7.629 1.077 974 HD13 ILE 118 2HD1 ILE 118 8.077 6.753 1.529 975 H GLN 119 H GLN 119 11.590 10.199 6.205 976 HA GLN 119 HA GLN 119 10.227 12.762 5.702 977 HB2 GLN 119 1HB GLN 119 10.094 11.692 8.116 978 HB3 GLN 119 2HB GLN 119 11.713 12.364 8.262 979 HG2 GLN 119 1HG GLN 119 10.978 14.516 8.229 980 HG3 GLN 119 2HG GLN 119 9.562 14.138 7.249 981 HE21 GLN 119 2HE2 GLN 119 10.797 14.582 10.396 982 HE22 GLN 119 1HE2 GLN 119 9.342 14.249 11.264 983 H ILE 120 H ILE 120 11.494 14.075 4.577 984 HA ILE 120 HA ILE 120 14.358 14.178 5.202 985 HB ILE 120 HB ILE 120 14.857 14.392 2.740 986 HG12 ILE 120 1HG1 ILE 120 12.820 12.850 1.624 987 HG13 ILE 120 2HG1 ILE 120 11.970 14.032 2.611 988 HG21 ILE 120 1HG2 ILE 120 15.619 12.395 3.497 989 HG22 ILE 120 2HG2 ILE 120 14.363 11.793 2.417 990 HG23 ILE 120 3HG2 ILE 120 14.052 11.915 4.148 991 HD11 ILE 120 3HD1 ILE 120 12.746 15.815 1.371 992 HD12 ILE 120 1HD1 ILE 120 12.490 14.572 0.146 993 HD13 ILE 120 2HD1 ILE 120 14.118 14.909 0.734 994 HA PRO 121 HA PRO 121 12.283 18.374 4.434 995 HB2 PRO 121 1HB PRO 121 11.956 19.249 6.962 996 HB3 PRO 121 2HB PRO 121 10.739 18.267 6.139 997 HG2 PRO 121 1HG PRO 121 12.781 17.456 8.160 998 HG3 PRO 121 2HG PRO 121 11.094 16.941 8.003 999 HD2 PRO 121 1HD PRO 121 13.239 15.463 7.138 1000 HD3 PRO 121 2HD PRO 121 11.604 15.330 6.467 1001 H LEU 122 H LEU 122 14.586 17.543 7.044 1002 HA LEU 122 HA LEU 122 16.119 19.969 6.401 1003 HB2 LEU 122 1HB LEU 122 15.922 18.247 8.846 1004 HB3 LEU 122 2HB LEU 122 17.356 19.219 8.582 1005 HG LEU 122 HG LEU 122 15.566 21.151 8.264 1006 HD11 LEU 122 1HD1 LEU 122 13.631 19.657 8.499 1007 HD12 LEU 122 2HD1 LEU 122 13.676 20.884 9.765 1008 HD13 LEU 122 3HD1 LEU 122 14.170 19.231 10.124 1009 HD21 LEU 122 3HD2 LEU 122 16.303 20.116 10.997 1010 HD22 LEU 122 1HD2 LEU 122 15.942 21.782 10.543 1011 HD23 LEU 122 2HD2 LEU 122 17.402 21.000 9.939 1012 H ASN 123 H ASN 123 16.575 16.502 7.081 1013 HA ASN 123 HA ASN 123 18.081 14.979 6.334 1014 HB2 ASN 123 1HB ASN 123 18.091 17.020 4.170 1015 HB3 ASN 123 2HB ASN 123 19.428 15.878 4.184 1016 HD21 ASN 123 2HD2 ASN 123 18.033 15.683 2.029 1017 HD22 ASN 123 1HD2 ASN 123 16.928 14.354 2.043 Start of MODEL 16 1 H1 MET 1 1H MET 1 10.809 23.749 4.474 2 H2 MET 1 2H MET 1 10.570 24.890 5.734 3 H3 MET 1 3H MET 1 11.492 25.315 4.349 4 HA MET 1 HA MET 1 8.605 24.795 4.535 5 HB2 MET 1 1HB MET 1 10.353 27.146 4.437 6 HB3 MET 1 2HB MET 1 9.081 27.184 3.223 7 HG2 MET 1 1HG MET 1 8.314 26.471 5.995 8 HG3 MET 1 2HG MET 1 8.740 28.149 5.661 9 HE1 MET 1 3HE MET 1 7.831 29.501 3.850 10 HE2 MET 1 1HE MET 1 6.149 29.460 3.320 11 HE3 MET 1 2HE MET 1 7.362 28.496 2.478 12 H VAL 2 H VAL 2 10.991 26.023 2.162 13 HA VAL 2 HA VAL 2 9.418 25.041 -0.031 14 HB VAL 2 HB VAL 2 11.340 25.800 -1.453 15 HG11 VAL 2 1HG1 VAL 2 11.058 28.295 -0.488 16 HG12 VAL 2 2HG1 VAL 2 9.715 27.496 0.329 17 HG13 VAL 2 3HG1 VAL 2 9.821 27.465 -1.431 18 HG21 VAL 2 3HG2 VAL 2 13.266 26.699 -0.620 19 HG22 VAL 2 1HG2 VAL 2 12.933 25.525 0.650 20 HG23 VAL 2 2HG2 VAL 2 12.508 27.221 0.883 21 H ALA 3 H ALA 3 12.252 23.927 1.722 22 HA ALA 3 HA ALA 3 12.331 21.546 -0.014 23 HB1 ALA 3 3HB ALA 3 14.597 21.522 0.004 24 HB2 ALA 3 1HB ALA 3 14.703 22.181 1.637 25 HB3 ALA 3 2HB ALA 3 14.379 23.249 0.274 26 H THR 4 H THR 4 10.713 20.529 1.284 27 HA THR 4 HA THR 4 11.821 19.152 3.574 28 HB THR 4 HB THR 4 9.437 19.757 4.710 29 HG1 THR 4 HG1 THR 4 8.824 21.766 4.280 30 HG21 THR 4 3HG2 THR 4 10.767 20.434 6.334 31 HG22 THR 4 1HG2 THR 4 11.179 21.888 5.427 32 HG23 THR 4 2HG2 THR 4 12.126 20.417 5.209 33 H VAL 5 H VAL 5 11.194 17.084 3.546 34 HA VAL 5 HA VAL 5 8.734 16.386 2.084 35 HB VAL 5 HB VAL 5 11.214 14.666 2.196 36 HG11 VAL 5 1HG1 VAL 5 8.730 14.514 0.490 37 HG12 VAL 5 2HG1 VAL 5 9.130 13.452 1.841 38 HG13 VAL 5 3HG1 VAL 5 10.122 13.436 0.383 39 HG21 VAL 5 3HG2 VAL 5 10.449 16.842 0.329 40 HG22 VAL 5 1HG2 VAL 5 11.155 15.382 -0.366 41 HG23 VAL 5 2HG2 VAL 5 12.045 16.302 0.848 42 H LYS 6 H LYS 6 7.260 15.487 3.346 43 HA LYS 6 HA LYS 6 8.105 13.644 5.464 44 HB2 LYS 6 1HB LYS 6 5.971 15.744 5.895 45 HB3 LYS 6 2HB LYS 6 6.603 14.613 7.082 46 HG2 LYS 6 1HG LYS 6 7.751 16.468 7.703 47 HG3 LYS 6 2HG LYS 6 8.881 15.837 6.502 48 HD2 LYS 6 1HD LYS 6 8.666 18.122 5.990 49 HD3 LYS 6 2HD LYS 6 7.642 17.299 4.814 50 HE2 LYS 6 1HE LYS 6 5.727 18.140 5.686 51 HE3 LYS 6 2HE LYS 6 6.338 18.107 7.339 52 HZ1 LYS 6 3HZ LYS 6 7.857 20.024 6.379 53 HZ2 LYS 6 1HZ LYS 6 6.310 20.334 6.986 54 HZ3 LYS 6 2HZ LYS 6 6.550 20.207 5.319 55 H ARG 7 H ARG 7 7.299 11.781 4.666 56 HA ARG 7 HA ARG 7 4.418 11.692 4.092 57 HB2 ARG 7 1HB ARG 7 6.426 10.135 2.469 58 HB3 ARG 7 2HB ARG 7 4.708 10.330 2.161 59 HG2 ARG 7 1HG ARG 7 4.965 12.463 1.315 60 HG3 ARG 7 2HG ARG 7 6.501 12.721 2.148 61 HD2 ARG 7 1HD ARG 7 7.540 11.029 0.682 62 HD3 ARG 7 2HD ARG 7 6.014 10.871 -0.184 63 HE ARG 7 HE ARG 7 6.514 13.495 -0.415 64 HH11 ARG 7 1HH1 ARG 7 8.534 10.688 -0.979 65 HH12 ARG 7 2HH1 ARG 7 9.477 11.458 -2.209 66 HH21 ARG 7 1HH2 ARG 7 7.754 14.498 -2.044 67 HH22 ARG 7 2HH2 ARG 7 9.036 13.623 -2.812 68 H THR 8 H THR 8 3.745 9.263 3.854 69 HA THR 8 HA THR 8 5.200 7.372 5.460 70 HB THR 8 HB THR 8 4.247 8.652 7.272 71 HG1 THR 8 HG1 THR 8 2.617 6.361 6.910 72 HG21 THR 8 3HG2 THR 8 1.491 8.322 7.130 73 HG22 THR 8 1HG2 THR 8 1.967 8.921 5.541 74 HG23 THR 8 2HG2 THR 8 2.398 9.826 6.989 75 H ILE 9 H ILE 9 4.413 5.243 5.197 76 HA ILE 9 HA ILE 9 2.213 4.985 3.245 77 HB ILE 9 HB ILE 9 4.377 4.284 2.317 78 HG12 ILE 9 1HG1 ILE 9 3.129 1.645 2.607 79 HG13 ILE 9 2HG1 ILE 9 1.993 2.926 2.197 80 HG21 ILE 9 1HG2 ILE 9 5.687 2.523 3.173 81 HG22 ILE 9 2HG2 ILE 9 4.445 2.057 4.333 82 HG23 ILE 9 3HG2 ILE 9 5.329 3.565 4.551 83 HD11 ILE 9 3HD1 ILE 9 2.630 2.821 0.089 84 HD12 ILE 9 1HD1 ILE 9 3.754 1.528 0.498 85 HD13 ILE 9 2HD1 ILE 9 4.288 3.208 0.551 86 H ARG 10 H ARG 10 0.425 4.161 4.045 87 HA ARG 10 HA ARG 10 0.613 2.093 6.124 88 HB2 ARG 10 1HB ARG 10 -1.586 3.102 7.020 89 HB3 ARG 10 2HB ARG 10 -0.079 3.916 7.411 90 HG2 ARG 10 1HG ARG 10 -0.597 5.754 6.202 91 HG3 ARG 10 2HG ARG 10 -1.464 4.836 4.972 92 HD2 ARG 10 1HD ARG 10 -3.083 6.143 6.098 93 HD3 ARG 10 2HD ARG 10 -3.288 4.490 6.673 94 HE ARG 10 HE ARG 10 -1.550 5.900 8.395 95 HH11 ARG 10 1HH1 ARG 10 -4.934 5.703 7.518 96 HH12 ARG 10 2HH1 ARG 10 -5.493 6.244 9.064 97 HH21 ARG 10 1HH2 ARG 10 -2.294 6.610 10.434 98 HH22 ARG 10 2HH2 ARG 10 -3.996 6.758 10.718 99 H ILE 11 H ILE 11 -0.095 0.282 5.224 100 HA ILE 11 HA ILE 11 -2.494 0.406 3.512 101 HB ILE 11 HB ILE 11 -1.396 -1.906 2.683 102 HG12 ILE 11 1HG1 ILE 11 1.030 -0.146 2.898 103 HG13 ILE 11 2HG1 ILE 11 0.643 -1.314 4.157 104 HG21 ILE 11 1HG2 ILE 11 -0.568 -0.650 0.713 105 HG22 ILE 11 2HG2 ILE 11 -0.834 0.849 1.602 106 HG23 ILE 11 3HG2 ILE 11 -2.197 -0.196 1.206 107 HD11 ILE 11 3HD1 ILE 11 2.270 -2.074 2.401 108 HD12 ILE 11 1HD1 ILE 11 0.920 -2.072 1.266 109 HD13 ILE 11 2HD1 ILE 11 0.887 -3.133 2.675 110 H LYS 12 H LYS 12 -4.074 -1.119 3.810 111 HA LYS 12 HA LYS 12 -3.702 -2.957 6.083 112 HB2 LYS 12 1HB LYS 12 -5.614 -0.870 5.729 113 HB3 LYS 12 2HB LYS 12 -6.468 -2.407 5.701 114 HG2 LYS 12 1HG LYS 12 -6.218 -2.692 7.892 115 HG3 LYS 12 2HG LYS 12 -4.506 -2.275 7.835 116 HD2 LYS 12 1HD LYS 12 -6.739 -0.257 7.763 117 HD3 LYS 12 2HD LYS 12 -5.899 -0.749 9.233 118 HE2 LYS 12 1HE LYS 12 -4.628 0.530 6.811 119 HE3 LYS 12 2HE LYS 12 -4.996 1.344 8.330 120 HZ1 LYS 12 3HZ LYS 12 -3.508 -0.486 9.345 121 HZ2 LYS 12 1HZ LYS 12 -2.775 0.815 8.549 122 HZ3 LYS 12 2HZ LYS 12 -2.924 -0.678 7.769 123 H THR 13 H THR 13 -4.354 -5.042 5.841 124 HA THR 13 HA THR 13 -5.859 -5.788 3.445 125 HB THR 13 HB THR 13 -3.518 -7.512 4.072 126 HG1 THR 13 HG1 THR 13 -3.299 -5.017 2.747 127 HG21 THR 13 3HG2 THR 13 -3.671 -6.980 1.346 128 HG22 THR 13 1HG2 THR 13 -5.341 -7.130 1.890 129 HG23 THR 13 2HG2 THR 13 -4.194 -8.437 2.189 130 H GLN 14 H GLN 14 -7.485 -7.055 4.034 131 HA GLN 14 HA GLN 14 -7.075 -8.966 6.235 132 HB2 GLN 14 1HB GLN 14 -9.589 -7.344 5.787 133 HB3 GLN 14 2HB GLN 14 -9.323 -8.519 7.066 134 HG2 GLN 14 1HG GLN 14 -7.937 -7.125 8.254 135 HG3 GLN 14 2HG GLN 14 -7.480 -6.190 6.832 136 HE21 GLN 14 2HE2 GLN 14 -8.091 -4.790 9.000 137 HE22 GLN 14 1HE2 GLN 14 -9.642 -4.041 8.856 138 H GLN 15 H GLN 15 -8.601 -10.804 6.204 139 HA GLN 15 HA GLN 15 -10.030 -11.293 3.728 140 HB2 GLN 15 1HB GLN 15 -7.804 -12.001 3.083 141 HB3 GLN 15 2HB GLN 15 -7.649 -12.970 4.542 142 HG2 GLN 15 1HG GLN 15 -8.695 -14.706 3.626 143 HG3 GLN 15 2HG GLN 15 -9.983 -13.699 2.975 144 HE21 GLN 15 2HE2 GLN 15 -9.524 -12.551 0.962 145 HE22 GLN 15 1HE2 GLN 15 -8.472 -13.288 -0.194 146 H HIS 16 H HIS 16 -11.651 -12.812 3.925 147 HA HIS 16 HA HIS 16 -11.804 -14.273 6.478 148 HB2 HIS 16 1HB HIS 16 -13.225 -12.198 6.504 149 HB3 HIS 16 2HB HIS 16 -14.154 -12.885 5.181 150 HD1 HIS 16 HD1 HIS 16 -15.029 -12.221 8.263 151 HD2 HIS 16 HD2 HIS 16 -14.455 -15.939 6.500 152 HE1 HIS 16 HE1 HIS 16 -16.385 -13.834 9.635 153 HE2 HIS 16 HE2 HIS 16 -15.960 -16.090 8.596 154 H ILE 17 H ILE 17 -11.967 -16.394 6.104 155 HA ILE 17 HA ILE 17 -13.320 -17.277 3.633 156 HB ILE 17 HB ILE 17 -11.162 -18.814 5.085 157 HG12 ILE 17 1HG1 ILE 17 -10.902 -17.107 2.596 158 HG13 ILE 17 2HG1 ILE 17 -10.254 -16.698 4.180 159 HG21 ILE 17 1HG2 ILE 17 -11.779 -19.261 2.230 160 HG22 ILE 17 2HG2 ILE 17 -12.997 -19.785 3.392 161 HG23 ILE 17 3HG2 ILE 17 -11.352 -20.412 3.494 162 HD11 ILE 17 3HD1 ILE 17 -9.301 -19.274 3.498 163 HD12 ILE 17 1HD1 ILE 17 -8.393 -17.772 3.684 164 HD13 ILE 17 2HD1 ILE 17 -9.058 -18.212 2.111 165 H LEU 18 H LEU 18 -15.079 -18.507 3.889 166 HA LEU 18 HA LEU 18 -15.505 -19.799 6.506 167 HB2 LEU 18 1HB LEU 18 -17.768 -18.921 4.748 168 HB3 LEU 18 2HB LEU 18 -17.776 -19.255 6.467 169 HG LEU 18 HG LEU 18 -16.127 -17.151 6.482 170 HD11 LEU 18 1HD1 LEU 18 -17.557 -17.038 3.894 171 HD12 LEU 18 2HD1 LEU 18 -15.985 -16.386 4.357 172 HD13 LEU 18 3HD1 LEU 18 -17.460 -15.543 4.824 173 HD21 LEU 18 3HD2 LEU 18 -18.014 -15.803 7.136 174 HD22 LEU 18 1HD2 LEU 18 -18.242 -17.445 7.738 175 HD23 LEU 18 2HD2 LEU 18 -19.126 -16.896 6.314 176 HA PRO 19 HA PRO 19 -15.616 -23.088 3.235 177 HB2 PRO 19 1HB PRO 19 -13.974 -24.836 4.469 178 HB3 PRO 19 2HB PRO 19 -13.366 -23.504 3.479 179 HG2 PRO 19 1HG PRO 19 -13.570 -23.717 6.456 180 HG3 PRO 19 2HG PRO 19 -12.262 -23.043 5.467 181 HD2 PRO 19 1HD PRO 19 -14.159 -21.520 6.725 182 HD3 PRO 19 2HD PRO 19 -13.303 -21.016 5.256 183 H GLU 20 H GLU 20 -15.748 -23.427 6.774 184 HA GLU 20 HA GLU 20 -17.336 -25.828 6.649 185 HB2 GLU 20 1HB GLU 20 -15.653 -25.020 8.507 186 HB3 GLU 20 2HB GLU 20 -17.070 -24.195 9.143 187 HG2 GLU 20 1HG GLU 20 -17.969 -26.083 9.916 188 HG3 GLU 20 2HG GLU 20 -17.573 -26.983 8.454 189 H VAL 21 H VAL 21 -17.901 -22.391 7.248 190 HA VAL 21 HA VAL 21 -20.596 -22.604 8.082 191 HB VAL 21 HB VAL 21 -19.431 -20.237 6.617 192 HG11 VAL 21 1HG1 VAL 21 -20.984 -19.145 8.451 193 HG12 VAL 21 2HG1 VAL 21 -21.786 -20.714 8.367 194 HG13 VAL 21 3HG1 VAL 21 -21.634 -19.723 6.917 195 HG21 VAL 21 3HG2 VAL 21 -18.904 -19.411 8.982 196 HG22 VAL 21 1HG2 VAL 21 -17.815 -20.601 8.273 197 HG23 VAL 21 2HG2 VAL 21 -19.017 -21.103 9.463 198 HA PRO 22 HA PRO 22 -22.141 -23.917 4.049 199 HB2 PRO 22 1HB PRO 22 -24.741 -23.669 5.440 200 HB3 PRO 22 2HB PRO 22 -24.046 -25.054 4.592 201 HG2 PRO 22 1HG PRO 22 -24.201 -25.007 7.258 202 HG3 PRO 22 2HG PRO 22 -22.809 -25.729 6.430 203 HD2 PRO 22 1HD PRO 22 -23.045 -23.061 7.768 204 HD3 PRO 22 2HD PRO 22 -21.697 -24.218 7.790 205 HA PRO 23 HA PRO 23 -23.261 -19.632 3.023 206 HB2 PRO 23 1HB PRO 23 -22.239 -20.192 0.372 207 HB3 PRO 23 2HB PRO 23 -21.560 -19.142 1.616 208 HG2 PRO 23 1HG PRO 23 -20.382 -21.467 0.804 209 HG3 PRO 23 2HG PRO 23 -20.178 -20.780 2.425 210 HD2 PRO 23 1HD PRO 23 -22.008 -22.978 1.518 211 HD3 PRO 23 2HD PRO 23 -20.987 -22.889 2.972 212 H VAL 24 H VAL 24 -25.308 -21.541 3.051 213 HA VAL 24 HA VAL 24 -27.384 -21.896 2.229 214 HB VAL 24 HB VAL 24 -26.774 -19.828 0.112 215 HG11 VAL 24 1HG1 VAL 24 -28.741 -20.841 -0.551 216 HG12 VAL 24 2HG1 VAL 24 -29.336 -19.519 0.453 217 HG13 VAL 24 3HG1 VAL 24 -29.260 -21.156 1.105 218 HG21 VAL 24 3HG2 VAL 24 -26.394 -19.080 2.509 219 HG22 VAL 24 1HG2 VAL 24 -28.124 -19.320 2.754 220 HG23 VAL 24 2HG2 VAL 24 -27.555 -18.142 1.572 221 H GLU 25 H GLU 25 -25.557 -21.212 -0.782 222 HA GLU 25 HA GLU 25 -26.662 -23.598 -2.005 223 HB2 GLU 25 1HB GLU 25 -25.598 -22.815 -4.047 224 HB3 GLU 25 2HB GLU 25 -26.489 -21.505 -3.283 225 HG2 GLU 25 1HG GLU 25 -24.214 -20.882 -2.231 226 HG3 GLU 25 2HG GLU 25 -23.534 -21.903 -3.495 227 H ASN 26 H ASN 26 -24.182 -23.259 0.081 228 HA ASN 26 HA ASN 26 -22.369 -24.494 0.637 229 HB2 ASN 26 1HB ASN 26 -23.749 -26.358 -1.276 230 HB3 ASN 26 2HB ASN 26 -22.177 -26.780 -0.602 231 HD21 ASN 26 2HD2 ASN 26 -25.419 -25.712 0.365 232 HD22 ASN 26 1HD2 ASN 26 -25.458 -26.613 1.838 233 H PHE 27 H PHE 27 -21.681 -22.447 -0.851 234 HA PHE 27 HA PHE 27 -19.727 -23.517 -2.778 235 HB2 PHE 27 1HB PHE 27 -21.692 -21.347 -3.062 236 HB3 PHE 27 2HB PHE 27 -20.063 -20.918 -3.571 237 HD1 PHE 27 HD1 PHE 27 -22.559 -23.664 -3.977 238 HD2 PHE 27 HD2 PHE 27 -19.433 -21.370 -5.736 239 HE1 PHE 27 HE1 PHE 27 -22.930 -24.809 -6.122 240 HE2 PHE 27 HE2 PHE 27 -19.802 -22.511 -7.885 241 HZ PHE 27 HZ PHE 27 -21.552 -24.232 -8.080 242 HA PRO 28 HA PRO 28 -16.875 -21.868 0.300 243 HB2 PRO 28 1HB PRO 28 -14.991 -22.367 -1.953 244 HB3 PRO 28 2HB PRO 28 -14.885 -22.873 -0.264 245 HG2 PRO 28 1HG PRO 28 -15.532 -24.619 -2.161 246 HG3 PRO 28 2HG PRO 28 -16.321 -24.670 -0.574 247 HD2 PRO 28 1HD PRO 28 -17.360 -23.639 -3.179 248 HD3 PRO 28 2HD PRO 28 -18.211 -24.515 -1.889 249 H VAL 29 H VAL 29 -17.148 -19.691 0.490 250 HA VAL 29 HA VAL 29 -16.074 -17.987 -1.668 251 HB VAL 29 HB VAL 29 -18.283 -17.242 0.259 252 HG11 VAL 29 1HG1 VAL 29 -18.513 -15.482 -1.736 253 HG12 VAL 29 2HG1 VAL 29 -16.778 -15.774 -1.823 254 HG13 VAL 29 3HG1 VAL 29 -17.500 -15.197 -0.321 255 HG21 VAL 29 3HG2 VAL 29 -19.789 -18.138 -1.110 256 HG22 VAL 29 1HG2 VAL 29 -18.462 -18.901 -1.986 257 HG23 VAL 29 2HG2 VAL 29 -19.076 -17.333 -2.508 258 H ARG 30 H ARG 30 -14.825 -16.200 -1.093 259 HA ARG 30 HA ARG 30 -14.091 -15.980 1.751 260 HB2 ARG 30 1HB ARG 30 -11.753 -15.342 0.828 261 HB3 ARG 30 2HB ARG 30 -12.196 -17.039 0.936 262 HG2 ARG 30 1HG ARG 30 -12.713 -15.604 -1.618 263 HG3 ARG 30 2HG ARG 30 -11.052 -16.041 -1.213 264 HD2 ARG 30 1HD ARG 30 -13.411 -17.910 -1.414 265 HD3 ARG 30 2HD ARG 30 -12.073 -17.784 -2.556 266 HE ARG 30 HE ARG 30 -10.781 -18.381 -0.298 267 HH11 ARG 30 1HH1 ARG 30 -13.630 -19.817 -1.741 268 HH12 ARG 30 2HH1 ARG 30 -13.327 -21.383 -1.070 269 HH21 ARG 30 1HH2 ARG 30 -10.394 -20.454 0.587 270 HH22 ARG 30 2HH2 ARG 30 -11.498 -21.745 0.250 271 H GLN 31 H GLN 31 -13.057 -13.903 2.313 272 HA GLN 31 HA GLN 31 -14.104 -11.686 0.679 273 HB2 GLN 31 1HB GLN 31 -14.751 -12.371 3.325 274 HB3 GLN 31 2HB GLN 31 -13.689 -10.977 3.452 275 HG2 GLN 31 1HG GLN 31 -15.217 -9.902 1.697 276 HG3 GLN 31 2HG GLN 31 -16.346 -11.194 2.099 277 HE21 GLN 31 2HE2 GLN 31 -14.866 -8.256 3.146 278 HE22 GLN 31 1HE2 GLN 31 -15.809 -8.043 4.577 279 H TRP 32 H TRP 32 -12.931 -9.622 0.964 280 HA TRP 32 HA TRP 32 -10.265 -9.692 2.029 281 HB2 TRP 32 1HB TRP 32 -9.152 -9.149 -0.141 282 HB3 TRP 32 2HB TRP 32 -9.769 -10.793 -0.051 283 HD1 TRP 32 HD1 TRP 32 -10.618 -7.396 -1.679 284 HE1 TRP 32 HE1 TRP 32 -12.017 -7.844 -3.791 285 HE3 TRP 32 HE3 TRP 32 -11.221 -12.451 -1.197 286 HZ2 TRP 32 HZ2 TRP 32 -13.216 -10.048 -5.084 287 HZ3 TRP 32 HZ3 TRP 32 -12.508 -13.653 -2.914 288 HH2 TRP 32 HH2 TRP 32 -13.484 -12.474 -4.817 289 H SER 33 H SER 33 -9.436 -7.677 2.406 290 HA SER 33 HA SER 33 -10.846 -5.353 1.305 291 HB2 SER 33 1HB SER 33 -10.163 -5.481 4.241 292 HB3 SER 33 2HB SER 33 -11.233 -4.351 3.413 293 HG SER 33 HG SER 33 -12.780 -5.683 3.885 294 H ILE 34 H ILE 34 -9.365 -4.081 0.373 295 HA ILE 34 HA ILE 34 -6.723 -3.843 1.658 296 HB ILE 34 HB ILE 34 -6.518 -5.245 -0.341 297 HG12 ILE 34 1HG1 ILE 34 -4.808 -3.817 -1.556 298 HG13 ILE 34 2HG1 ILE 34 -5.291 -2.487 -0.509 299 HG21 ILE 34 1HG2 ILE 34 -6.779 -3.568 -2.505 300 HG22 ILE 34 2HG2 ILE 34 -8.178 -3.160 -1.513 301 HG23 ILE 34 3HG2 ILE 34 -7.921 -4.826 -2.026 302 HD11 ILE 34 3HD1 ILE 34 -4.657 -4.888 0.985 303 HD12 ILE 34 1HD1 ILE 34 -4.049 -3.243 1.166 304 HD13 ILE 34 2HD1 ILE 34 -3.312 -4.331 -0.010 305 H GLU 35 H GLU 35 -5.817 -1.852 1.778 306 HA GLU 35 HA GLU 35 -7.041 0.384 0.356 307 HB2 GLU 35 1HB GLU 35 -7.210 1.740 2.400 308 HB3 GLU 35 2HB GLU 35 -8.257 0.332 2.461 309 HG2 GLU 35 1HG GLU 35 -7.397 -0.115 4.449 310 HG3 GLU 35 2HG GLU 35 -5.893 -0.521 3.630 311 H ILE 36 H ILE 36 -5.590 1.846 -0.308 312 HA ILE 36 HA ILE 36 -2.833 1.616 0.719 313 HB ILE 36 HB ILE 36 -3.482 2.834 -1.946 314 HG12 ILE 36 1HG1 ILE 36 -4.541 0.588 -1.920 315 HG13 ILE 36 2HG1 ILE 36 -3.198 0.686 -3.052 316 HG21 ILE 36 1HG2 ILE 36 -1.249 2.628 -2.395 317 HG22 ILE 36 2HG2 ILE 36 -1.050 1.225 -1.345 318 HG23 ILE 36 3HG2 ILE 36 -1.198 2.838 -0.645 319 HD11 ILE 36 3HD1 ILE 36 -2.689 -1.293 -2.103 320 HD12 ILE 36 1HD1 ILE 36 -3.496 -0.902 -0.586 321 HD13 ILE 36 2HD1 ILE 36 -1.892 -0.253 -0.925 322 H VAL 37 H VAL 37 -2.396 3.268 2.077 323 HA VAL 37 HA VAL 37 -3.282 5.956 1.260 324 HB VAL 37 HB VAL 37 -3.211 5.008 4.124 325 HG11 VAL 37 1HG1 VAL 37 -3.758 7.597 2.796 326 HG12 VAL 37 2HG1 VAL 37 -3.038 7.261 4.370 327 HG13 VAL 37 3HG1 VAL 37 -4.786 7.166 4.161 328 HG21 VAL 37 3HG2 VAL 37 -4.990 3.931 2.665 329 HG22 VAL 37 1HG2 VAL 37 -5.700 5.540 2.527 330 HG23 VAL 37 2HG2 VAL 37 -5.554 4.773 4.108 331 H LEU 38 H LEU 38 -1.771 7.511 1.322 332 HA LEU 38 HA LEU 38 0.487 7.483 3.034 333 HB2 LEU 38 1HB LEU 38 2.227 7.220 1.290 334 HB3 LEU 38 2HB LEU 38 1.316 5.756 1.601 335 HG LEU 38 HG LEU 38 -0.113 6.649 -0.462 336 HD11 LEU 38 1HD1 LEU 38 2.482 8.090 -0.601 337 HD12 LEU 38 2HD1 LEU 38 0.873 8.601 -1.109 338 HD13 LEU 38 3HD1 LEU 38 1.790 7.462 -2.095 339 HD21 LEU 38 3HD2 LEU 38 0.891 5.005 -1.720 340 HD22 LEU 38 1HD2 LEU 38 1.358 4.527 -0.090 341 HD23 LEU 38 2HD2 LEU 38 2.507 5.378 -1.120 342 H LEU 39 H LEU 39 2.189 9.169 2.197 343 HA LEU 39 HA LEU 39 0.685 11.452 1.092 344 HB2 LEU 39 1HB LEU 39 2.695 11.245 3.291 345 HB3 LEU 39 2HB LEU 39 2.630 12.726 2.356 346 HG LEU 39 HG LEU 39 1.328 13.030 4.339 347 HD11 LEU 39 1HD1 LEU 39 -0.678 12.542 2.156 348 HD12 LEU 39 2HD1 LEU 39 0.450 13.896 2.134 349 HD13 LEU 39 3HD1 LEU 39 -0.727 13.751 3.440 350 HD21 LEU 39 3HD2 LEU 39 0.960 10.587 4.736 351 HD22 LEU 39 1HD2 LEU 39 -0.345 10.655 3.550 352 HD23 LEU 39 2HD2 LEU 39 -0.449 11.606 5.031 353 H ASP 40 H ASP 40 1.966 13.068 -0.068 354 HA ASP 40 HA ASP 40 4.580 12.504 -1.005 355 HB2 ASP 40 1HB ASP 40 3.921 12.229 -3.444 356 HB3 ASP 40 2HB ASP 40 3.666 10.834 -2.404 357 H ASP 41 H ASP 41 1.529 14.130 -1.913 358 HA ASP 41 HA ASP 41 2.930 16.399 -3.015 359 HB2 ASP 41 1HB ASP 41 0.132 15.488 -2.824 360 HB3 ASP 41 2HB ASP 41 0.351 17.233 -2.807 361 H GLU 42 H GLU 42 2.531 15.510 0.118 362 HA GLU 42 HA GLU 42 1.728 18.065 1.205 363 HB2 GLU 42 1HB GLU 42 1.917 15.380 2.167 364 HB3 GLU 42 2HB GLU 42 2.905 16.403 3.198 365 HG2 GLU 42 1HG GLU 42 -0.011 16.813 2.563 366 HG3 GLU 42 2HG GLU 42 0.656 16.189 4.071 367 H GLY 43 H GLY 43 4.704 16.248 0.678 368 HA2 GLY 43 1HA GLY 43 6.221 18.454 1.894 369 HA3 GLY 43 2HA GLY 43 6.831 16.826 1.662 370 H LYS 44 H LYS 44 7.094 16.123 -0.631 371 HA LYS 44 HA LYS 44 7.904 18.391 -2.339 372 HB2 LYS 44 1HB LYS 44 9.421 16.132 -1.380 373 HB3 LYS 44 2HB LYS 44 9.337 16.095 -3.134 374 HG2 LYS 44 1HG LYS 44 9.911 18.748 -2.489 375 HG3 LYS 44 2HG LYS 44 10.911 17.771 -1.410 376 HD2 LYS 44 1HD LYS 44 11.595 16.451 -3.461 377 HD3 LYS 44 2HD LYS 44 10.823 17.716 -4.418 378 HE2 LYS 44 1HE LYS 44 12.487 19.183 -4.051 379 HE3 LYS 44 2HE LYS 44 12.677 18.698 -2.367 380 HZ1 LYS 44 3HZ LYS 44 14.604 18.219 -3.890 381 HZ2 LYS 44 1HZ LYS 44 13.645 17.030 -4.618 382 HZ3 LYS 44 2HZ LYS 44 14.049 16.907 -2.979 383 H GLU 45 H GLU 45 6.531 18.569 -3.989 384 HA GLU 45 HA GLU 45 5.348 16.130 -5.135 385 HB2 GLU 45 1HB GLU 45 3.654 17.628 -6.121 386 HB3 GLU 45 2HB GLU 45 3.715 17.760 -4.369 387 HG2 GLU 45 1HG GLU 45 5.123 19.806 -4.650 388 HG3 GLU 45 2HG GLU 45 4.825 19.698 -6.384 389 H ILE 46 H ILE 46 8.081 17.038 -5.727 390 HA ILE 46 HA ILE 46 7.785 17.367 -8.634 391 HB ILE 46 HB ILE 46 9.972 18.686 -7.023 392 HG12 ILE 46 1HG1 ILE 46 7.739 20.183 -8.368 393 HG13 ILE 46 2HG1 ILE 46 7.533 19.569 -6.732 394 HG21 ILE 46 1HG2 ILE 46 10.377 18.047 -9.443 395 HG22 ILE 46 2HG2 ILE 46 10.629 19.741 -9.026 396 HG23 ILE 46 3HG2 ILE 46 9.156 19.249 -9.862 397 HD11 ILE 46 3HD1 ILE 46 8.327 21.593 -6.180 398 HD12 ILE 46 1HD1 ILE 46 9.153 21.810 -7.725 399 HD13 ILE 46 2HD1 ILE 46 9.889 20.825 -6.460 400 HA PRO 47 HA PRO 47 10.381 13.712 -8.481 401 HB2 PRO 47 1HB PRO 47 10.542 13.303 -11.148 402 HB3 PRO 47 2HB PRO 47 9.084 12.933 -10.220 403 HG2 PRO 47 1HG PRO 47 9.697 15.324 -11.914 404 HG3 PRO 47 2HG PRO 47 8.197 14.383 -11.808 405 HD2 PRO 47 1HD PRO 47 8.559 16.760 -10.530 406 HD3 PRO 47 2HD PRO 47 7.501 15.477 -9.911 407 H ALA 48 H ALA 48 12.478 13.006 -9.439 408 HA ALA 48 HA ALA 48 14.154 15.047 -10.628 409 HB1 ALA 48 3HB ALA 48 15.736 15.267 -8.906 410 HB2 ALA 48 1HB ALA 48 15.047 13.928 -7.988 411 HB3 ALA 48 2HB ALA 48 14.167 15.451 -8.124 412 H THR 49 H THR 49 14.236 11.875 -8.967 413 HA THR 49 HA THR 49 15.933 10.892 -11.170 414 HB THR 49 HB THR 49 16.805 9.212 -9.459 415 HG1 THR 49 HG1 THR 49 15.869 11.131 -7.596 416 HG21 THR 49 3HG2 THR 49 18.615 10.468 -9.013 417 HG22 THR 49 1HG2 THR 49 17.664 11.857 -8.481 418 HG23 THR 49 2HG2 THR 49 17.869 11.535 -10.202 419 H ILE 50 H ILE 50 14.035 9.444 -8.498 420 HA ILE 50 HA ILE 50 12.607 7.859 -10.523 421 HB ILE 50 HB ILE 50 12.483 6.149 -8.454 422 HG12 ILE 50 1HG1 ILE 50 15.359 6.976 -8.285 423 HG13 ILE 50 2HG1 ILE 50 14.172 7.797 -7.279 424 HG21 ILE 50 1HG2 ILE 50 13.974 4.771 -9.652 425 HG22 ILE 50 2HG2 ILE 50 14.847 6.156 -10.307 426 HG23 ILE 50 3HG2 ILE 50 13.206 5.810 -10.851 427 HD11 ILE 50 3HD1 ILE 50 13.940 4.899 -7.182 428 HD12 ILE 50 1HD1 ILE 50 14.025 6.077 -5.873 429 HD13 ILE 50 2HD1 ILE 50 15.506 5.498 -6.637 430 H PHE 51 H PHE 51 12.105 7.674 -7.020 431 HA PHE 51 HA PHE 51 10.290 8.069 -5.725 432 HB2 PHE 51 1HB PHE 51 10.851 10.392 -6.037 433 HB3 PHE 51 2HB PHE 51 10.052 10.424 -7.602 434 HD1 PHE 51 HD1 PHE 51 8.825 9.007 -4.380 435 HD2 PHE 51 HD2 PHE 51 8.380 12.014 -7.363 436 HE1 PHE 51 HE1 PHE 51 6.741 9.760 -3.307 437 HE2 PHE 51 HE2 PHE 51 6.298 12.768 -6.293 438 HZ PHE 51 HZ PHE 51 5.475 11.642 -4.266 439 H ASP 52 H ASP 52 9.017 6.305 -6.079 440 HA ASP 52 HA ASP 52 6.521 6.722 -7.373 441 HB2 ASP 52 1HB ASP 52 8.362 5.928 -9.175 442 HB3 ASP 52 2HB ASP 52 7.848 4.354 -8.572 443 H LYS 53 H LYS 53 5.059 5.668 -6.217 444 HA LYS 53 HA LYS 53 5.949 3.366 -4.616 445 HB2 LYS 53 1HB LYS 53 3.520 5.042 -4.015 446 HB3 LYS 53 2HB LYS 53 4.396 3.960 -2.945 447 HG2 LYS 53 1HG LYS 53 5.089 5.995 -2.166 448 HG3 LYS 53 2HG LYS 53 6.365 5.632 -3.328 449 HD2 LYS 53 1HD LYS 53 5.928 7.595 -4.286 450 HD3 LYS 53 2HD LYS 53 4.388 6.916 -4.815 451 HE2 LYS 53 1HE LYS 53 3.764 7.603 -2.285 452 HE3 LYS 53 2HE LYS 53 4.979 8.827 -2.648 453 HZ1 LYS 53 3HZ LYS 53 2.818 8.327 -4.581 454 HZ2 LYS 53 1HZ LYS 53 3.695 9.744 -4.295 455 HZ3 LYS 53 2HZ LYS 53 2.497 9.258 -3.206 456 H VAL 54 H VAL 54 5.418 1.565 -5.694 457 HA VAL 54 HA VAL 54 2.775 1.413 -6.984 458 HB VAL 54 HB VAL 54 5.097 -0.468 -7.412 459 HG11 VAL 54 1HG1 VAL 54 3.840 -0.919 -9.544 460 HG12 VAL 54 2HG1 VAL 54 2.503 0.006 -8.861 461 HG13 VAL 54 3HG1 VAL 54 3.051 -1.471 -8.069 462 HG21 VAL 54 3HG2 VAL 54 5.584 0.755 -9.461 463 HG22 VAL 54 1HG2 VAL 54 5.747 1.809 -8.058 464 HG23 VAL 54 2HG2 VAL 54 4.317 1.922 -9.084 465 H ILE 55 H ILE 55 1.326 -0.184 -6.473 466 HA ILE 55 HA ILE 55 2.084 -2.017 -4.290 467 HB ILE 55 HB ILE 55 -0.671 -0.838 -4.629 468 HG12 ILE 55 1HG1 ILE 55 0.241 0.286 -2.343 469 HG13 ILE 55 2HG1 ILE 55 1.737 0.227 -3.270 470 HG21 ILE 55 1HG2 ILE 55 -1.069 -2.653 -3.340 471 HG22 ILE 55 2HG2 ILE 55 -0.513 -1.579 -2.058 472 HG23 ILE 55 3HG2 ILE 55 0.596 -2.752 -2.768 473 HD11 ILE 55 3HD1 ILE 55 0.597 1.441 -5.094 474 HD12 ILE 55 1HD1 ILE 55 0.681 2.350 -3.588 475 HD13 ILE 55 2HD1 ILE 55 -0.830 1.576 -4.067 476 H TYR 56 H TYR 56 1.368 -4.103 -4.396 477 HA TYR 56 HA TYR 56 -0.239 -4.870 -6.740 478 HB2 TYR 56 1HB TYR 56 2.402 -5.941 -5.826 479 HB3 TYR 56 2HB TYR 56 1.260 -7.036 -6.597 480 HD1 TYR 56 HD2 TYR 56 2.928 -3.736 -7.127 481 HD2 TYR 56 HD1 TYR 56 1.238 -7.209 -8.913 482 HE1 TYR 56 HE2 TYR 56 3.684 -2.964 -9.335 483 HE2 TYR 56 HE1 TYR 56 1.990 -6.444 -11.123 484 HH TYR 56 HH TYR 56 2.543 -3.969 -12.127 485 H HIS 57 H HIS 57 -1.432 -6.845 -6.513 486 HA HIS 57 HA HIS 57 -1.560 -8.232 -4.021 487 HB2 HIS 57 1HB HIS 57 -3.939 -7.588 -3.513 488 HB3 HIS 57 2HB HIS 57 -2.763 -6.309 -3.240 489 HD1 HIS 57 HD1 HIS 57 -5.628 -7.261 -5.442 490 HD2 HIS 57 HD2 HIS 57 -3.003 -4.082 -4.922 491 HE1 HIS 57 HE1 HIS 57 -6.582 -5.373 -6.802 492 HE2 HIS 57 HE2 HIS 57 -4.911 -3.499 -6.568 493 H LEU 58 H LEU 58 -2.505 -10.211 -4.260 494 HA LEU 58 HA LEU 58 -3.623 -11.958 -5.208 495 HB2 LEU 58 1HB LEU 58 -5.162 -9.786 -6.002 496 HB3 LEU 58 2HB LEU 58 -4.800 -10.607 -7.506 497 HG LEU 58 HG LEU 58 -5.609 -12.736 -6.170 498 HD11 LEU 58 1HD1 LEU 58 -7.516 -10.876 -4.906 499 HD12 LEU 58 2HD1 LEU 58 -5.917 -10.972 -4.167 500 HD13 LEU 58 3HD1 LEU 58 -6.896 -12.428 -4.344 501 HD21 LEU 58 3HD2 LEU 58 -6.597 -11.678 -8.223 502 HD22 LEU 58 1HD2 LEU 58 -7.618 -10.720 -7.151 503 HD23 LEU 58 2HD2 LEU 58 -7.756 -12.478 -7.160 504 H HIS 59 H HIS 59 -3.797 -13.108 -7.466 505 HA HIS 59 HA HIS 59 -1.186 -13.375 -8.473 506 HB2 HIS 59 1HB HIS 59 -3.725 -14.659 -8.848 507 HB3 HIS 59 2HB HIS 59 -2.990 -14.373 -10.419 508 HD1 HIS 59 HD1 HIS 59 -0.794 -15.099 -7.487 509 HD2 HIS 59 HD2 HIS 59 -2.441 -17.102 -10.733 510 HE1 HIS 59 HE1 HIS 59 0.407 -17.303 -7.597 511 HE2 HIS 59 HE2 HIS 59 -0.744 -18.568 -9.446 512 HA PRO 60 HA PRO 60 -0.652 -10.409 -11.695 513 HB2 PRO 60 1HB PRO 60 0.052 -12.587 -13.571 514 HB3 PRO 60 2HB PRO 60 0.993 -11.186 -13.051 515 HG2 PRO 60 1HG PRO 60 1.578 -13.637 -12.169 516 HG3 PRO 60 2HG PRO 60 1.712 -12.224 -11.106 517 HD2 PRO 60 1HD PRO 60 -0.444 -14.302 -11.239 518 HD3 PRO 60 2HD PRO 60 0.296 -13.533 -9.817 519 H THR 61 H THR 61 -2.937 -12.927 -12.068 520 HA THR 61 HA THR 61 -3.878 -12.536 -14.667 521 HB THR 61 HB THR 61 -6.054 -13.422 -13.760 522 HG1 THR 61 HG1 THR 61 -6.372 -13.276 -11.708 523 HG21 THR 61 3HG2 THR 61 -5.000 -15.566 -12.750 524 HG22 THR 61 1HG2 THR 61 -3.477 -14.836 -13.259 525 HG23 THR 61 2HG2 THR 61 -4.733 -15.174 -14.449 526 H PHE 62 H PHE 62 -3.934 -10.372 -12.037 527 HA PHE 62 HA PHE 62 -6.357 -9.008 -12.439 528 HB2 PHE 62 1HB PHE 62 -4.000 -8.691 -10.852 529 HB3 PHE 62 2HB PHE 62 -4.360 -7.149 -11.618 530 HD1 PHE 62 HD2 PHE 62 -7.020 -6.596 -11.543 531 HD2 PHE 62 HD1 PHE 62 -4.870 -9.002 -8.765 532 HE1 PHE 62 HE2 PHE 62 -8.734 -6.151 -9.835 533 HE2 PHE 62 HE1 PHE 62 -6.582 -8.560 -7.055 534 HZ PHE 62 HZ PHE 62 -8.516 -7.132 -7.588 535 H ALA 63 H ALA 63 -6.929 -7.256 -13.686 536 HA ALA 63 HA ALA 63 -5.701 -6.969 -16.207 537 HB1 ALA 63 3HB ALA 63 -7.821 -5.420 -14.761 538 HB2 ALA 63 1HB ALA 63 -7.975 -6.475 -16.167 539 HB3 ALA 63 2HB ALA 63 -7.216 -4.891 -16.331 540 H ASN 64 H ASN 64 -5.692 -4.832 -13.339 541 HA ASN 64 HA ASN 64 -3.102 -3.804 -14.122 542 HB2 ASN 64 1HB ASN 64 -5.131 -2.411 -15.155 543 HB3 ASN 64 2HB ASN 64 -5.095 -1.666 -13.559 544 HD21 ASN 64 2HD2 ASN 64 -3.715 -1.739 -16.643 545 HD22 ASN 64 1HD2 ASN 64 -2.380 -0.686 -16.337 546 HA PRO 65 HA PRO 65 -2.940 -4.220 -9.641 547 HB2 PRO 65 1HB PRO 65 -0.221 -3.127 -10.079 548 HB3 PRO 65 2HB PRO 65 -0.716 -4.623 -9.280 549 HG2 PRO 65 1HG PRO 65 0.426 -4.669 -11.688 550 HG3 PRO 65 2HG PRO 65 -0.889 -5.787 -11.279 551 HD2 PRO 65 1HD PRO 65 -0.973 -3.267 -12.898 552 HD3 PRO 65 2HD PRO 65 -1.773 -4.825 -13.197 553 H ASN 66 H ASN 66 -1.743 -2.664 -7.915 554 HA ASN 66 HA ASN 66 -3.055 -0.095 -8.248 555 HB2 ASN 66 1HB ASN 66 -1.968 -1.637 -5.946 556 HB3 ASN 66 2HB ASN 66 -2.017 0.115 -5.794 557 HD21 ASN 66 2HD2 ASN 66 -3.476 -1.166 -4.038 558 HD22 ASN 66 1HD2 ASN 66 -5.159 -1.100 -4.415 559 H ARG 67 H ARG 67 -2.049 1.925 -7.958 560 HA ARG 67 HA ARG 67 0.854 2.077 -7.929 561 HB2 ARG 67 1HB ARG 67 -0.564 2.108 -10.377 562 HB3 ARG 67 2HB ARG 67 -0.063 3.765 -10.072 563 HG2 ARG 67 1HG ARG 67 2.081 3.319 -10.502 564 HG3 ARG 67 2HG ARG 67 2.047 1.805 -9.595 565 HD2 ARG 67 1HD ARG 67 0.521 1.171 -11.756 566 HD3 ARG 67 2HD ARG 67 1.671 2.305 -12.467 567 HE ARG 67 HE ARG 67 3.151 0.525 -10.953 568 HH11 ARG 67 1HH1 ARG 67 1.059 0.384 -13.758 569 HH12 ARG 67 2HH1 ARG 67 1.845 -1.005 -14.426 570 HH21 ARG 67 1HH2 ARG 67 4.176 -1.309 -11.837 571 HH22 ARG 67 2HH2 ARG 67 3.612 -1.965 -13.336 572 H THR 68 H THR 68 1.585 3.934 -7.005 573 HA THR 68 HA THR 68 -0.359 6.102 -6.584 574 HB THR 68 HB THR 68 1.610 5.138 -4.501 575 HG1 THR 68 HG1 THR 68 -0.152 4.211 -3.491 576 HG21 THR 68 3HG2 THR 68 0.309 6.489 -2.952 577 HG22 THR 68 1HG2 THR 68 -0.697 7.057 -4.284 578 HG23 THR 68 2HG2 THR 68 1.014 7.476 -4.230 579 H PHE 69 H PHE 69 0.383 7.732 -7.747 580 HA PHE 69 HA PHE 69 3.112 8.673 -7.288 581 HB2 PHE 69 1HB PHE 69 3.147 7.302 -9.371 582 HB3 PHE 69 2HB PHE 69 1.938 8.375 -10.064 583 HD1 PHE 69 HD1 PHE 69 5.350 8.432 -8.563 584 HD2 PHE 69 HD2 PHE 69 2.620 10.197 -11.311 585 HE1 PHE 69 HE1 PHE 69 7.139 9.905 -9.393 586 HE2 PHE 69 HE2 PHE 69 4.404 11.670 -12.142 587 HZ PHE 69 HZ PHE 69 6.667 11.524 -11.184 588 H THR 70 H THR 70 0.091 9.375 -9.070 589 HA THR 70 HA THR 70 0.038 12.035 -7.848 590 HB THR 70 HB THR 70 -0.731 12.924 -10.145 591 HG1 THR 70 HG1 THR 70 0.688 10.621 -11.000 592 HG21 THR 70 3HG2 THR 70 1.233 13.917 -10.186 593 HG22 THR 70 1HG2 THR 70 2.003 12.432 -10.748 594 HG23 THR 70 2HG2 THR 70 1.838 12.741 -9.019 595 H ASP 71 H ASP 71 -1.495 9.641 -7.310 596 HA ASP 71 HA ASP 71 -4.185 10.631 -7.990 597 HB2 ASP 71 1HB ASP 71 -3.016 7.971 -8.447 598 HB3 ASP 71 2HB ASP 71 -4.587 7.941 -7.651 599 HA PRO 72 HA PRO 72 -5.195 10.363 -3.696 600 HB2 PRO 72 1HB PRO 72 -7.729 9.399 -3.682 601 HB3 PRO 72 2HB PRO 72 -7.328 11.029 -4.239 602 HG2 PRO 72 1HG PRO 72 -7.821 8.547 -5.841 603 HG3 PRO 72 2HG PRO 72 -8.408 10.197 -6.126 604 HD2 PRO 72 1HD PRO 72 -6.296 9.152 -7.458 605 HD3 PRO 72 2HD PRO 72 -6.417 10.878 -7.065 606 HA PRO 73 HA PRO 73 -4.517 6.348 -1.971 607 HB2 PRO 73 1HB PRO 73 -5.987 6.367 0.310 608 HB3 PRO 73 2HB PRO 73 -4.504 7.309 0.111 609 HG2 PRO 73 1HG PRO 73 -7.354 8.192 -0.135 610 HG3 PRO 73 2HG PRO 73 -5.996 9.005 0.665 611 HD2 PRO 73 1HD PRO 73 -6.864 9.706 -1.800 612 HD3 PRO 73 2HD PRO 73 -5.160 9.834 -1.318 613 H PHE 74 H PHE 74 -5.449 4.270 -1.437 614 HA PHE 74 HA PHE 74 -8.070 3.870 -2.717 615 HB2 PHE 74 1HB PHE 74 -5.638 2.140 -2.424 616 HB3 PHE 74 2HB PHE 74 -7.211 1.397 -2.684 617 HD1 PHE 74 HD2 PHE 74 -8.537 2.118 -4.738 618 HD2 PHE 74 HD1 PHE 74 -4.399 2.966 -4.213 619 HE1 PHE 74 HE2 PHE 74 -8.308 2.482 -7.160 620 HE2 PHE 74 HE1 PHE 74 -4.165 3.331 -6.635 621 HZ PHE 74 HZ PHE 74 -6.121 3.089 -8.111 622 H ARG 75 H ARG 75 -9.558 2.349 -1.799 623 HA ARG 75 HA ARG 75 -9.214 1.154 0.736 624 HB2 ARG 75 1HB ARG 75 -9.546 3.810 1.057 625 HB3 ARG 75 2HB ARG 75 -11.231 3.314 1.011 626 HG2 ARG 75 1HG ARG 75 -11.117 2.689 3.123 627 HG3 ARG 75 2HG ARG 75 -9.840 1.538 2.731 628 HD2 ARG 75 1HD ARG 75 -8.591 2.788 4.116 629 HD3 ARG 75 2HD ARG 75 -8.456 3.876 2.737 630 HE ARG 75 HE ARG 75 -9.646 5.407 3.918 631 HH11 ARG 75 1HH1 ARG 75 -10.361 2.249 5.258 632 HH12 ARG 75 2HH1 ARG 75 -11.360 2.877 6.524 633 HH21 ARG 75 1HH2 ARG 75 -10.964 6.225 5.589 634 HH22 ARG 75 2HH2 ARG 75 -11.702 5.134 6.713 635 H ILE 76 H ILE 76 -10.032 -0.385 -0.958 636 HA ILE 76 HA ILE 76 -12.979 -0.418 -0.919 637 HB ILE 76 HB ILE 76 -11.324 -1.373 -3.259 638 HG12 ILE 76 1HG1 ILE 76 -13.014 0.843 -3.919 639 HG13 ILE 76 2HG1 ILE 76 -12.009 1.299 -2.548 640 HG21 ILE 76 1HG2 ILE 76 -13.416 -1.601 -4.413 641 HG22 ILE 76 2HG2 ILE 76 -14.295 -0.901 -3.054 642 HG23 ILE 76 3HG2 ILE 76 -13.519 -2.476 -2.886 643 HD11 ILE 76 3HD1 ILE 76 -11.242 1.586 -5.080 644 HD12 ILE 76 1HD1 ILE 76 -10.646 -0.049 -4.792 645 HD13 ILE 76 2HD1 ILE 76 -10.110 1.279 -3.763 646 H GLU 77 H GLU 77 -13.950 -2.366 -0.553 647 HA GLU 77 HA GLU 77 -12.239 -4.741 -0.303 648 HB2 GLU 77 1HB GLU 77 -13.418 -5.375 1.769 649 HB3 GLU 77 2HB GLU 77 -12.524 -3.873 1.947 650 HG2 GLU 77 1HG GLU 77 -14.498 -2.577 1.886 651 HG3 GLU 77 2HG GLU 77 -15.465 -3.944 1.337 652 H GLU 78 H GLU 78 -13.140 -6.638 -0.978 653 HA GLU 78 HA GLU 78 -15.994 -6.675 -1.642 654 HB2 GLU 78 1HB GLU 78 -13.735 -6.812 -3.551 655 HB3 GLU 78 2HB GLU 78 -15.034 -7.969 -3.808 656 HG2 GLU 78 1HG GLU 78 -16.556 -6.356 -4.346 657 HG3 GLU 78 2HG GLU 78 -15.750 -5.118 -3.385 658 H GLN 79 H GLN 79 -16.709 -8.905 -2.322 659 HA GLN 79 HA GLN 79 -15.152 -11.005 -0.974 660 HB2 GLN 79 1HB GLN 79 -17.187 -11.938 -0.024 661 HB3 GLN 79 2HB GLN 79 -16.989 -10.271 0.497 662 HG2 GLN 79 1HG GLN 79 -18.528 -9.899 -1.680 663 HG3 GLN 79 2HG GLN 79 -19.072 -11.500 -1.180 664 HE21 GLN 79 2HE2 GLN 79 -18.233 -8.405 0.370 665 HE22 GLN 79 1HE2 GLN 79 -19.613 -8.365 1.409 666 H GLY 80 H GLY 80 -15.163 -13.012 -1.929 667 HA2 GLY 80 1HA GLY 80 -16.951 -14.062 -3.744 668 HA3 GLY 80 2HA GLY 80 -15.825 -13.121 -4.706 669 H TRP 81 H TRP 81 -14.526 -14.537 -5.696 670 HA TRP 81 HA TRP 81 -13.289 -16.643 -4.043 671 HB2 TRP 81 1HB TRP 81 -13.872 -16.780 -7.008 672 HB3 TRP 81 2HB TRP 81 -13.172 -18.058 -6.022 673 HD1 TRP 81 HD1 TRP 81 -15.139 -18.169 -3.611 674 HE1 TRP 81 HE1 TRP 81 -17.580 -18.918 -3.927 675 HE3 TRP 81 HE3 TRP 81 -15.627 -17.266 -8.622 676 HZ2 TRP 81 HZ2 TRP 81 -19.464 -19.101 -6.022 677 HZ3 TRP 81 HZ3 TRP 81 -17.781 -17.758 -9.703 678 HH2 TRP 81 HH2 TRP 81 -19.660 -18.656 -8.429 679 H GLY 82 H GLY 82 -11.276 -16.069 -3.603 680 HA2 GLY 82 1HA GLY 82 -9.427 -15.515 -5.754 681 HA3 GLY 82 2HA GLY 82 -9.686 -14.160 -4.665 682 H GLY 83 H GLY 83 -8.030 -13.990 -3.304 683 HA2 GLY 83 1HA GLY 83 -6.843 -14.677 -1.386 684 HA3 GLY 83 2HA GLY 83 -7.234 -16.346 -1.769 685 H PHE 84 H PHE 84 -5.016 -13.724 -2.275 686 HA PHE 84 HA PHE 84 -2.980 -15.571 -3.139 687 HB2 PHE 84 1HB PHE 84 -4.288 -13.700 -5.023 688 HB3 PHE 84 2HB PHE 84 -2.531 -13.775 -5.101 689 HD1 PHE 84 HD1 PHE 84 -1.926 -16.559 -4.616 690 HD2 PHE 84 HD2 PHE 84 -5.129 -14.845 -6.833 691 HE1 PHE 84 HE1 PHE 84 -2.085 -18.609 -5.962 692 HE2 PHE 84 HE2 PHE 84 -5.293 -16.895 -8.184 693 HZ PHE 84 HZ PHE 84 -3.771 -18.781 -7.748 694 HA PRO 85 HA PRO 85 -0.246 -12.734 -1.165 695 HB2 PRO 85 1HB PRO 85 1.942 -12.610 -2.751 696 HB3 PRO 85 2HB PRO 85 1.508 -14.049 -1.826 697 HG2 PRO 85 1HG PRO 85 1.036 -13.453 -4.719 698 HG3 PRO 85 2HG PRO 85 1.610 -14.952 -3.966 699 HD2 PRO 85 1HD PRO 85 -0.958 -14.596 -4.746 700 HD3 PRO 85 2HD PRO 85 -0.511 -15.607 -3.358 701 H LEU 86 H LEU 86 1.100 -10.727 -1.366 702 HA LEU 86 HA LEU 86 0.378 -8.944 -3.556 703 HB2 LEU 86 1HB LEU 86 -0.250 -7.158 -1.869 704 HB3 LEU 86 2HB LEU 86 -1.421 -8.436 -2.127 705 HG LEU 86 HG LEU 86 0.508 -8.670 0.145 706 HD11 LEU 86 1HD1 LEU 86 -0.972 -7.422 1.592 707 HD12 LEU 86 2HD1 LEU 86 -2.042 -7.069 0.237 708 HD13 LEU 86 3HD1 LEU 86 -0.416 -6.391 0.273 709 HD21 LEU 86 3HD2 LEU 86 -1.682 -9.650 1.130 710 HD22 LEU 86 1HD2 LEU 86 -0.775 -10.589 -0.053 711 HD23 LEU 86 2HD2 LEU 86 -2.215 -9.702 -0.550 712 H ASP 87 H ASP 87 1.659 -6.922 -3.525 713 HA ASP 87 HA ASP 87 3.984 -6.894 -1.776 714 HB2 ASP 87 1HB ASP 87 4.595 -8.364 -3.705 715 HB3 ASP 87 2HB ASP 87 4.327 -6.997 -4.780 716 H ILE 88 H ILE 88 4.207 -4.868 -1.103 717 HA ILE 88 HA ILE 88 3.399 -2.684 -2.912 718 HB ILE 88 HB ILE 88 2.036 -2.737 -0.910 719 HG12 ILE 88 1HG1 ILE 88 3.871 -0.454 -0.339 720 HG13 ILE 88 2HG1 ILE 88 3.125 -0.543 -1.931 721 HG21 ILE 88 1HG2 ILE 88 4.483 -3.425 0.372 722 HG22 ILE 88 2HG2 ILE 88 2.848 -3.440 1.025 723 HG23 ILE 88 3HG2 ILE 88 3.827 -1.979 1.136 724 HD11 ILE 88 3HD1 ILE 88 1.846 -0.164 0.736 725 HD12 ILE 88 1HD1 ILE 88 0.923 -0.831 -0.611 726 HD13 ILE 88 2HD1 ILE 88 1.651 0.770 -0.747 727 H SER 89 H SER 89 5.061 -1.690 -3.827 728 HA SER 89 HA SER 89 7.594 -1.476 -2.340 729 HB2 SER 89 1HB SER 89 8.752 -1.427 -4.426 730 HB3 SER 89 2HB SER 89 7.580 -2.738 -4.543 731 HG SER 89 HG SER 89 6.192 -1.178 -5.630 732 H VAL 90 H VAL 90 8.469 0.479 -1.916 733 HA VAL 90 HA VAL 90 7.118 2.835 -3.057 734 HB VAL 90 HB VAL 90 6.686 2.335 -0.572 735 HG11 VAL 90 1HG1 VAL 90 8.775 1.795 0.295 736 HG12 VAL 90 2HG1 VAL 90 8.438 3.410 0.914 737 HG13 VAL 90 3HG1 VAL 90 9.546 3.201 -0.440 738 HG21 VAL 90 3HG2 VAL 90 7.464 4.923 -1.796 739 HG22 VAL 90 1HG2 VAL 90 7.186 4.883 -0.055 740 HG23 VAL 90 2HG2 VAL 90 5.907 4.389 -1.165 741 H PHE 91 H PHE 91 8.369 4.481 -3.797 742 HA PHE 91 HA PHE 91 11.279 4.316 -3.411 743 HB2 PHE 91 1HB PHE 91 9.835 4.604 -6.054 744 HB3 PHE 91 2HB PHE 91 11.541 4.968 -5.843 745 HD1 PHE 91 HD1 PHE 91 9.092 2.209 -5.282 746 HD2 PHE 91 HD2 PHE 91 13.090 3.311 -6.247 747 HE1 PHE 91 HE1 PHE 91 9.642 -0.152 -5.691 748 HE2 PHE 91 HE2 PHE 91 13.643 0.950 -6.658 749 HZ PHE 91 HZ PHE 91 11.920 -0.784 -6.379 750 H LEU 92 H LEU 92 12.403 6.351 -3.838 751 HA LEU 92 HA LEU 92 10.749 8.740 -4.012 752 HB2 LEU 92 1HB LEU 92 11.674 9.747 -2.004 753 HB3 LEU 92 2HB LEU 92 10.834 8.259 -1.618 754 HG LEU 92 HG LEU 92 13.789 8.180 -2.023 755 HD11 LEU 92 1HD1 LEU 92 12.851 10.049 -0.347 756 HD12 LEU 92 2HD1 LEU 92 14.336 9.146 -0.061 757 HD13 LEU 92 3HD1 LEU 92 12.840 8.652 0.727 758 HD21 LEU 92 3HD2 LEU 92 12.027 6.706 -0.080 759 HD22 LEU 92 1HD2 LEU 92 13.679 6.317 -0.556 760 HD23 LEU 92 2HD2 LEU 92 12.362 6.134 -1.711 761 H LEU 93 H LEU 93 12.756 10.609 -3.310 762 HA LEU 93 HA LEU 93 14.502 10.317 -5.637 763 HB2 LEU 93 1HB LEU 93 14.077 12.777 -3.944 764 HB3 LEU 93 2HB LEU 93 14.811 12.693 -5.534 765 HG LEU 93 HG LEU 93 12.466 11.788 -6.274 766 HD11 LEU 93 1HD1 LEU 93 11.957 12.848 -3.552 767 HD12 LEU 93 2HD1 LEU 93 11.154 11.550 -4.436 768 HD13 LEU 93 3HD1 LEU 93 10.786 13.234 -4.810 769 HD21 LEU 93 3HD2 LEU 93 12.197 13.797 -7.226 770 HD22 LEU 93 1HD2 LEU 93 13.728 14.195 -6.447 771 HD23 LEU 93 2HD2 LEU 93 12.204 14.642 -5.680 772 H GLU 94 H GLU 94 14.681 10.132 -2.208 773 HA GLU 94 HA GLU 94 17.596 10.548 -2.258 774 HB2 GLU 94 1HB GLU 94 15.640 11.489 -0.500 775 HB3 GLU 94 2HB GLU 94 16.464 10.216 0.389 776 HG2 GLU 94 1HG GLU 94 18.172 11.555 0.802 777 HG3 GLU 94 2HG GLU 94 18.401 11.842 -0.921 778 H LYS 95 H LYS 95 15.517 8.022 -2.528 779 HA LYS 95 HA LYS 95 15.541 5.797 -2.052 780 HB2 LYS 95 1HB LYS 95 18.522 6.299 -2.177 781 HB3 LYS 95 2HB LYS 95 17.766 4.713 -2.241 782 HG2 LYS 95 1HG LYS 95 18.051 5.081 -4.460 783 HG3 LYS 95 2HG LYS 95 16.456 5.809 -4.254 784 HD2 LYS 95 1HD LYS 95 18.132 7.890 -3.652 785 HD3 LYS 95 2HD LYS 95 19.022 7.048 -4.922 786 HE2 LYS 95 1HE LYS 95 16.287 7.181 -5.685 787 HE3 LYS 95 2HE LYS 95 16.790 8.788 -5.166 788 HZ1 LYS 95 3HZ LYS 95 17.868 7.139 -7.361 789 HZ2 LYS 95 1HZ LYS 95 18.799 8.374 -6.672 790 HZ3 LYS 95 2HZ LYS 95 17.318 8.738 -7.400 791 H ALA 96 H ALA 96 15.259 7.399 0.282 792 HA ALA 96 HA ALA 96 16.898 6.087 2.317 793 HB1 ALA 96 3HB ALA 96 14.819 8.017 3.135 794 HB2 ALA 96 1HB ALA 96 16.124 8.651 2.131 795 HB3 ALA 96 2HB ALA 96 16.495 7.856 3.662 796 H GLY 97 H GLY 97 13.433 6.620 1.600 797 HA2 GLY 97 1HA GLY 97 12.761 4.439 3.449 798 HA3 GLY 97 2HA GLY 97 11.640 5.640 2.834 799 H GLU 98 H GLU 98 13.766 4.293 0.495 800 HA GLU 98 HA GLU 98 11.607 3.167 -0.972 801 HB2 GLU 98 1HB GLU 98 13.553 4.156 -2.083 802 HB3 GLU 98 2HB GLU 98 14.594 2.926 -1.383 803 HG2 GLU 98 1HG GLU 98 13.083 1.251 -2.623 804 HG3 GLU 98 2HG GLU 98 12.546 2.654 -3.545 805 H ARG 99 H ARG 99 10.620 1.497 0.105 806 HA ARG 99 HA ARG 99 12.171 -0.974 0.312 807 HB2 ARG 99 1HB ARG 99 11.336 0.562 2.560 808 HB3 ARG 99 2HB ARG 99 10.390 -0.920 2.533 809 HG2 ARG 99 1HG ARG 99 12.115 -1.829 3.608 810 HG3 ARG 99 2HG ARG 99 12.914 -1.843 2.035 811 HD2 ARG 99 1HD ARG 99 14.512 -0.691 3.129 812 HD3 ARG 99 2HD ARG 99 13.449 0.679 2.811 813 HE ARG 99 HE ARG 99 12.880 -0.687 5.279 814 HH11 ARG 99 1HH1 ARG 99 14.815 1.817 3.771 815 HH12 ARG 99 2HH1 ARG 99 15.091 2.666 5.253 816 HH21 ARG 99 1HH2 ARG 99 13.257 0.439 7.230 817 HH22 ARG 99 2HH2 ARG 99 14.208 1.885 7.213 818 H LYS 100 H LYS 100 10.884 -2.912 0.413 819 HA LYS 100 HA LYS 100 8.162 -2.554 -0.664 820 HB2 LYS 100 1HB LYS 100 10.107 -4.790 -1.270 821 HB3 LYS 100 2HB LYS 100 8.478 -4.642 -1.914 822 HG2 LYS 100 1HG LYS 100 9.612 -3.784 -3.667 823 HG3 LYS 100 2HG LYS 100 9.432 -2.301 -2.729 824 HD2 LYS 100 1HD LYS 100 11.635 -2.252 -2.123 825 HD3 LYS 100 2HD LYS 100 11.807 -4.006 -2.192 826 HE2 LYS 100 1HE LYS 100 11.265 -2.591 -4.740 827 HE3 LYS 100 2HE LYS 100 12.861 -2.371 -4.022 828 HZ1 LYS 100 3HZ LYS 100 12.277 -4.374 -5.646 829 HZ2 LYS 100 1HZ LYS 100 11.871 -5.109 -4.178 830 HZ3 LYS 100 2HZ LYS 100 13.433 -4.505 -4.420 831 H ILE 101 H ILE 101 6.522 -3.766 0.221 832 HA ILE 101 HA ILE 101 7.267 -5.647 2.362 833 HB ILE 101 HB ILE 101 4.874 -3.822 2.531 834 HG12 ILE 101 1HG1 ILE 101 6.741 -3.068 4.485 835 HG13 ILE 101 2HG1 ILE 101 7.669 -3.213 2.998 836 HG21 ILE 101 1HG2 ILE 101 6.260 -5.248 4.777 837 HG22 ILE 101 2HG2 ILE 101 5.012 -6.035 3.809 838 HG23 ILE 101 3HG2 ILE 101 4.631 -4.581 4.728 839 HD11 ILE 101 3HD1 ILE 101 6.266 -1.015 3.794 840 HD12 ILE 101 1HD1 ILE 101 5.155 -1.782 2.660 841 HD13 ILE 101 2HD1 ILE 101 6.787 -1.356 2.145 842 HA PRO 102 HA PRO 102 4.368 -7.975 -0.233 843 HB2 PRO 102 1HB PRO 102 5.638 -10.319 -0.135 844 HB3 PRO 102 2HB PRO 102 6.260 -8.986 -1.117 845 HG2 PRO 102 1HG PRO 102 7.196 -9.986 1.530 846 HG3 PRO 102 2HG PRO 102 8.139 -9.352 0.172 847 HD2 PRO 102 1HD PRO 102 7.371 -7.928 2.466 848 HD3 PRO 102 2HD PRO 102 7.993 -7.228 0.958 849 H HIS 103 H HIS 103 2.656 -9.261 0.337 850 HA HIS 103 HA HIS 103 2.693 -10.570 2.964 851 HB2 HIS 103 1HB HIS 103 0.353 -8.910 2.018 852 HB3 HIS 103 2HB HIS 103 0.531 -9.707 3.573 853 HD1 HIS 103 HD1 HIS 103 1.420 -6.623 1.727 854 HD2 HIS 103 HD2 HIS 103 2.298 -8.403 5.377 855 HE1 HIS 103 HE1 HIS 103 2.466 -4.813 3.120 856 HE2 HIS 103 HE2 HIS 103 2.936 -5.899 5.347 857 H ASP 104 H ASP 104 0.625 -11.940 3.227 858 HA ASP 104 HA ASP 104 0.004 -13.257 0.665 859 HB2 ASP 104 1HB ASP 104 -0.126 -15.391 1.917 860 HB3 ASP 104 2HB ASP 104 1.481 -14.678 1.986 861 H LEU 105 H LEU 105 -2.108 -14.151 0.456 862 HA LEU 105 HA LEU 105 -4.037 -13.417 2.533 863 HB2 LEU 105 1HB LEU 105 -3.728 -11.809 0.372 864 HB3 LEU 105 2HB LEU 105 -4.933 -12.925 -0.238 865 HG LEU 105 HG LEU 105 -6.291 -12.397 1.842 866 HD11 LEU 105 1HD1 LEU 105 -3.992 -10.571 2.202 867 HD12 LEU 105 2HD1 LEU 105 -5.017 -11.360 3.401 868 HD13 LEU 105 3HD1 LEU 105 -5.595 -9.922 2.557 869 HD21 LEU 105 3HD2 LEU 105 -6.334 -11.329 -0.605 870 HD22 LEU 105 1HD2 LEU 105 -5.980 -9.874 0.329 871 HD23 LEU 105 2HD2 LEU 105 -7.427 -10.818 0.682 872 H ASN 106 H ASN 106 -4.119 -15.653 2.986 873 HA ASN 106 HA ASN 106 -6.060 -17.071 1.409 874 HB2 ASN 106 1HB ASN 106 -3.480 -17.445 0.576 875 HB3 ASN 106 2HB ASN 106 -3.672 -18.767 1.723 876 HD21 ASN 106 2HD2 ASN 106 -5.865 -17.223 -0.599 877 HD22 ASN 106 1HD2 ASN 106 -6.290 -18.678 -1.420 878 H PHE 107 H PHE 107 -6.003 -16.144 4.068 879 HA PHE 107 HA PHE 107 -6.353 -18.681 5.483 880 HB2 PHE 107 1HB PHE 107 -4.790 -16.336 6.589 881 HB3 PHE 107 2HB PHE 107 -5.251 -17.768 7.505 882 HD1 PHE 107 HD1 PHE 107 -3.201 -16.572 4.669 883 HD2 PHE 107 HD2 PHE 107 -3.967 -19.740 7.406 884 HE1 PHE 107 HE1 PHE 107 -1.135 -17.693 3.947 885 HE2 PHE 107 HE2 PHE 107 -1.902 -20.864 6.688 886 HZ PHE 107 HZ PHE 107 -0.482 -19.841 4.956 887 H LEU 108 H LEU 108 -8.138 -18.748 6.727 888 HA LEU 108 HA LEU 108 -10.112 -16.777 6.557 889 HB2 LEU 108 1HB LEU 108 -11.244 -18.041 8.393 890 HB3 LEU 108 2HB LEU 108 -10.773 -19.016 7.017 891 HG LEU 108 HG LEU 108 -8.606 -19.327 8.653 892 HD11 LEU 108 1HD1 LEU 108 -9.482 -18.196 10.534 893 HD12 LEU 108 2HD1 LEU 108 -9.632 -19.919 10.878 894 HD13 LEU 108 3HD1 LEU 108 -11.047 -18.994 10.376 895 HD21 LEU 108 3HD2 LEU 108 -11.102 -20.910 8.215 896 HD22 LEU 108 1HD2 LEU 108 -9.865 -21.493 9.329 897 HD23 LEU 108 2HD2 LEU 108 -9.466 -21.214 7.635 898 H GLN 109 H GLN 109 -10.545 -14.989 7.697 899 HA GLN 109 HA GLN 109 -10.356 -13.280 9.171 900 HB2 GLN 109 1HB GLN 109 -9.786 -15.654 10.892 901 HB3 GLN 109 2HB GLN 109 -9.458 -14.056 11.548 902 HG2 GLN 109 1HG GLN 109 -11.585 -14.091 12.201 903 HG3 GLN 109 2HG GLN 109 -11.955 -13.723 10.518 904 HE21 GLN 109 2HE2 GLN 109 -13.955 -14.747 10.611 905 HE22 GLN 109 1HE2 GLN 109 -14.107 -16.468 10.678 906 H GLU 110 H GLU 110 -8.657 -12.563 7.700 907 HA GLU 110 HA GLU 110 -5.945 -12.751 8.808 908 HB2 GLU 110 1HB GLU 110 -6.269 -13.418 6.429 909 HB3 GLU 110 2HB GLU 110 -6.804 -11.783 6.077 910 HG2 GLU 110 1HG GLU 110 -4.676 -11.391 5.552 911 HG3 GLU 110 2HG GLU 110 -4.396 -11.334 7.292 912 H SER 111 H SER 111 -4.889 -11.022 9.517 913 HA SER 111 HA SER 111 -5.980 -8.342 9.066 914 HB2 SER 111 1HB SER 111 -6.605 -9.485 11.374 915 HB3 SER 111 2HB SER 111 -4.958 -9.020 11.800 916 HG SER 111 HG SER 111 -7.146 -7.382 11.118 917 H TYR 112 H TYR 112 -4.173 -8.465 7.529 918 HA TYR 112 HA TYR 112 -1.556 -8.074 8.814 919 HB2 TYR 112 1HB TYR 112 -2.386 -9.369 6.260 920 HB3 TYR 112 2HB TYR 112 -0.850 -8.507 6.275 921 HD1 TYR 112 HD1 TYR 112 -2.527 -10.668 8.832 922 HD2 TYR 112 HD2 TYR 112 0.857 -10.059 6.325 923 HE1 TYR 112 HE1 TYR 112 -1.437 -12.627 9.838 924 HE2 TYR 112 HE2 TYR 112 1.954 -12.018 7.323 925 HH TYR 112 HH TYR 112 1.757 -13.265 9.629 926 H GLU 113 H GLU 113 -0.889 -6.073 8.857 927 HA GLU 113 HA GLU 113 -1.319 -4.327 6.569 928 HB2 GLU 113 1HB GLU 113 -2.482 -2.647 7.697 929 HB3 GLU 113 2HB GLU 113 -3.259 -4.125 8.224 930 HG2 GLU 113 1HG GLU 113 -1.181 -2.622 9.802 931 HG3 GLU 113 2HG GLU 113 -2.921 -2.489 10.035 932 H VAL 114 H VAL 114 0.324 -2.919 6.231 933 HA VAL 114 HA VAL 114 2.436 -2.833 8.292 934 HB VAL 114 HB VAL 114 3.205 -4.077 6.378 935 HG11 VAL 114 1HG1 VAL 114 2.484 -1.659 4.730 936 HG12 VAL 114 2HG1 VAL 114 1.673 -3.224 4.699 937 HG13 VAL 114 3HG1 VAL 114 3.340 -3.084 4.142 938 HG21 VAL 114 3HG2 VAL 114 4.709 -2.375 7.540 939 HG22 VAL 114 1HG2 VAL 114 4.484 -1.377 6.102 940 HG23 VAL 114 2HG2 VAL 114 5.228 -2.969 5.964 941 H GLU 115 H GLU 115 3.444 -0.922 8.760 942 HA GLU 115 HA GLU 115 2.534 1.502 7.387 943 HB2 GLU 115 1HB GLU 115 2.421 0.937 10.340 944 HB3 GLU 115 2HB GLU 115 2.498 2.583 9.726 945 HG2 GLU 115 1HG GLU 115 0.315 2.578 9.388 946 HG3 GLU 115 2HG GLU 115 0.471 1.205 8.296 947 H HIS 116 H HIS 116 4.198 2.670 6.730 948 HA HIS 116 HA HIS 116 6.688 2.654 8.302 949 HB2 HIS 116 1HB HIS 116 6.292 1.699 5.607 950 HB3 HIS 116 2HB HIS 116 7.420 3.049 5.613 951 HD1 HIS 116 HD1 HIS 116 9.777 2.453 6.078 952 HD2 HIS 116 HD2 HIS 116 7.138 -0.392 7.567 953 HE1 HIS 116 HE1 HIS 116 11.221 0.606 6.986 954 HE2 HIS 116 HE2 HIS 116 9.603 -1.132 7.829 955 H VAL 117 H VAL 117 8.069 4.544 7.928 956 HA VAL 117 HA VAL 117 6.528 6.888 7.015 957 HB VAL 117 HB VAL 117 6.714 6.875 9.464 958 HG11 VAL 117 1HG1 VAL 117 9.152 5.761 9.148 959 HG12 VAL 117 2HG1 VAL 117 8.613 6.551 10.630 960 HG13 VAL 117 3HG1 VAL 117 9.604 7.435 9.470 961 HG21 VAL 117 3HG2 VAL 117 7.086 9.115 9.634 962 HG22 VAL 117 1HG2 VAL 117 6.997 8.985 7.877 963 HG23 VAL 117 2HG2 VAL 117 8.566 9.058 8.677 964 H ILE 118 H ILE 118 7.534 8.347 5.724 965 HA ILE 118 HA ILE 118 10.383 7.900 5.110 966 HB ILE 118 HB ILE 118 8.334 8.811 3.085 967 HG12 ILE 118 1HG1 ILE 118 9.092 6.338 2.229 968 HG13 ILE 118 2HG1 ILE 118 9.079 6.090 3.972 969 HG21 ILE 118 1HG2 ILE 118 10.985 9.175 3.007 970 HG22 ILE 118 2HG2 ILE 118 10.009 8.898 1.566 971 HG23 ILE 118 3HG2 ILE 118 10.896 7.561 2.299 972 HD11 ILE 118 3HD1 ILE 118 6.951 5.476 3.039 973 HD12 ILE 118 1HD1 ILE 118 6.789 7.058 2.278 974 HD13 ILE 118 2HD1 ILE 118 6.759 6.918 4.036 975 H GLN 119 H GLN 119 11.467 9.586 5.901 976 HA GLN 119 HA GLN 119 10.411 12.291 5.414 977 HB2 GLN 119 1HB GLN 119 11.801 11.331 7.922 978 HB3 GLN 119 2HB GLN 119 11.328 12.992 7.598 979 HG2 GLN 119 1HG GLN 119 9.000 12.390 7.639 980 HG3 GLN 119 2HG GLN 119 9.408 10.682 7.794 981 HE21 GLN 119 2HE2 GLN 119 7.738 11.679 9.618 982 HE22 GLN 119 1HE2 GLN 119 8.521 11.882 11.145 983 H ILE 120 H ILE 120 11.770 13.443 4.191 984 HA ILE 120 HA ILE 120 14.633 13.230 4.659 985 HB ILE 120 HB ILE 120 15.017 13.141 2.120 986 HG12 ILE 120 1HG1 ILE 120 12.778 11.401 1.640 987 HG13 ILE 120 2HG1 ILE 120 12.184 12.978 2.146 988 HG21 ILE 120 1HG2 ILE 120 13.998 10.516 3.041 989 HG22 ILE 120 2HG2 ILE 120 15.231 11.303 4.027 990 HG23 ILE 120 3HG2 ILE 120 15.552 10.945 2.330 991 HD11 ILE 120 3HD1 ILE 120 13.013 12.213 -0.398 992 HD12 ILE 120 1HD1 ILE 120 14.286 13.270 0.211 993 HD13 ILE 120 2HD1 ILE 120 12.617 13.840 0.157 994 HA PRO 121 HA PRO 121 13.078 17.521 3.505 995 HB2 PRO 121 1HB PRO 121 13.216 18.718 5.917 996 HB3 PRO 121 2HB PRO 121 11.783 17.837 5.383 997 HG2 PRO 121 1HG PRO 121 13.948 16.986 7.249 998 HG3 PRO 121 2HG PRO 121 12.205 16.682 7.337 999 HD2 PRO 121 1HD PRO 121 14.063 14.854 6.437 1000 HD3 PRO 121 2HD PRO 121 12.344 14.836 6.004 1001 H LEU 122 H LEU 122 15.573 16.733 5.949 1002 HA LEU 122 HA LEU 122 17.299 18.787 4.752 1003 HB2 LEU 122 1HB LEU 122 16.651 18.627 7.297 1004 HB3 LEU 122 2HB LEU 122 17.935 17.433 7.338 1005 HG LEU 122 HG LEU 122 19.534 19.110 6.526 1006 HD11 LEU 122 1HD1 LEU 122 18.774 21.520 6.573 1007 HD12 LEU 122 2HD1 LEU 122 17.122 20.903 6.525 1008 HD13 LEU 122 3HD1 LEU 122 18.232 20.559 5.198 1009 HD21 LEU 122 3HD2 LEU 122 19.910 19.946 8.591 1010 HD22 LEU 122 1HD2 LEU 122 18.616 18.833 9.034 1011 HD23 LEU 122 2HD2 LEU 122 18.260 20.540 8.772 1012 H ASN 123 H ASN 123 17.186 15.356 5.629 1013 HA ASN 123 HA ASN 123 19.528 14.914 3.917 1014 HB2 ASN 123 1HB ASN 123 19.372 14.448 6.802 1015 HB3 ASN 123 2HB ASN 123 19.896 13.032 5.897 1016 HD21 ASN 123 2HD2 ASN 123 21.533 13.647 4.102 1017 HD22 ASN 123 1HD2 ASN 123 22.831 14.663 4.621 Start of MODEL 17 1 H1 MET 1 1H MET 1 5.126 29.728 5.911 2 H2 MET 1 2H MET 1 4.359 28.386 5.166 3 H3 MET 1 3H MET 1 4.567 29.850 4.297 4 HA MET 1 HA MET 1 6.119 28.080 3.683 5 HB2 MET 1 1HB MET 1 6.435 30.744 3.796 6 HB3 MET 1 2HB MET 1 7.731 30.277 4.887 7 HG2 MET 1 1HG MET 1 8.698 28.873 3.132 8 HG3 MET 1 2HG MET 1 7.399 29.351 2.039 9 HE1 MET 1 3HE MET 1 8.677 32.122 0.237 10 HE2 MET 1 1HE MET 1 7.291 32.407 1.290 11 HE3 MET 1 2HE MET 1 7.505 30.837 0.516 12 H VAL 2 H VAL 2 6.439 26.219 4.833 13 HA VAL 2 HA VAL 2 7.967 26.426 7.340 14 HB VAL 2 HB VAL 2 5.808 25.296 7.575 15 HG11 VAL 2 1HG1 VAL 2 6.611 22.876 6.127 16 HG12 VAL 2 2HG1 VAL 2 6.238 24.262 5.105 17 HG13 VAL 2 3HG1 VAL 2 5.039 23.662 6.247 18 HG21 VAL 2 3HG2 VAL 2 8.113 24.560 8.692 19 HG22 VAL 2 1HG2 VAL 2 7.715 23.050 7.874 20 HG23 VAL 2 2HG2 VAL 2 6.589 23.747 9.037 21 H ALA 3 H ALA 3 7.910 24.884 4.166 22 HA ALA 3 HA ALA 3 9.481 23.763 2.966 23 HB1 ALA 3 3HB ALA 3 10.700 25.952 3.885 24 HB2 ALA 3 1HB ALA 3 11.530 24.746 2.902 25 HB3 ALA 3 2HB ALA 3 11.714 24.732 4.656 26 H THR 4 H THR 4 8.603 21.765 3.913 27 HA THR 4 HA THR 4 10.731 20.226 5.147 28 HB THR 4 HB THR 4 8.774 19.274 6.716 29 HG1 THR 4 HG1 THR 4 7.251 20.817 6.030 30 HG21 THR 4 3HG2 THR 4 10.339 19.840 8.170 31 HG22 THR 4 1HG2 THR 4 9.600 21.439 8.233 32 HG23 THR 4 2HG2 THR 4 10.939 21.131 7.130 33 H VAL 5 H VAL 5 10.126 17.863 5.258 34 HA VAL 5 HA VAL 5 8.110 17.146 3.249 35 HB VAL 5 HB VAL 5 10.874 15.927 3.320 36 HG11 VAL 5 1HG1 VAL 5 8.373 15.284 1.940 37 HG12 VAL 5 2HG1 VAL 5 9.774 14.272 2.286 38 HG13 VAL 5 3HG1 VAL 5 9.788 15.351 0.892 39 HG21 VAL 5 3HG2 VAL 5 9.768 18.215 1.783 40 HG22 VAL 5 1HG2 VAL 5 10.835 17.096 0.938 41 HG23 VAL 5 2HG2 VAL 5 11.403 17.937 2.380 42 H LYS 6 H LYS 6 6.729 15.778 4.111 43 HA LYS 6 HA LYS 6 7.692 13.676 5.906 44 HB2 LYS 6 1HB LYS 6 6.281 15.909 6.812 45 HB3 LYS 6 2HB LYS 6 5.069 14.640 6.704 46 HG2 LYS 6 1HG LYS 6 6.490 13.191 8.095 47 HG3 LYS 6 2HG LYS 6 7.653 14.509 8.245 48 HD2 LYS 6 1HD LYS 6 4.766 14.758 9.069 49 HD3 LYS 6 2HD LYS 6 6.040 14.238 10.173 50 HE2 LYS 6 1HE LYS 6 6.078 16.840 8.647 51 HE3 LYS 6 2HE LYS 6 5.484 16.672 10.297 52 HZ1 LYS 6 3HZ LYS 6 7.613 17.222 10.756 53 HZ2 LYS 6 1HZ LYS 6 8.219 16.627 9.293 54 HZ3 LYS 6 2HZ LYS 6 7.870 15.562 10.561 55 H ARG 7 H ARG 7 7.290 11.907 4.726 56 HA ARG 7 HA ARG 7 4.582 11.575 3.603 57 HB2 ARG 7 1HB ARG 7 7.230 10.690 2.448 58 HB3 ARG 7 2HB ARG 7 5.684 10.073 1.883 59 HG2 ARG 7 1HG ARG 7 5.583 11.773 0.469 60 HG3 ARG 7 2HG ARG 7 5.455 12.870 1.847 61 HD2 ARG 7 1HD ARG 7 7.627 13.499 1.723 62 HD3 ARG 7 2HD ARG 7 8.167 11.913 1.180 63 HE ARG 7 HE ARG 7 6.654 13.368 -0.789 64 HH11 ARG 7 1HH1 ARG 7 9.845 12.789 0.538 65 HH12 ARG 7 2HH1 ARG 7 10.668 13.319 -0.887 66 HH21 ARG 7 1HH2 ARG 7 7.748 14.075 -2.660 67 HH22 ARG 7 2HH2 ARG 7 9.479 14.052 -2.701 68 H THR 8 H THR 8 4.030 9.208 3.273 69 HA THR 8 HA THR 8 5.339 7.147 4.634 70 HB THR 8 HB THR 8 4.858 8.258 6.702 71 HG1 THR 8 HG1 THR 8 2.868 6.263 6.383 72 HG21 THR 8 3HG2 THR 8 3.069 9.473 7.173 73 HG22 THR 8 1HG2 THR 8 1.965 8.201 6.650 74 HG23 THR 8 2HG2 THR 8 2.642 9.321 5.469 75 H ILE 9 H ILE 9 4.525 5.240 3.971 76 HA ILE 9 HA ILE 9 1.927 5.308 2.602 77 HB ILE 9 HB ILE 9 3.862 4.687 1.191 78 HG12 ILE 9 1HG1 ILE 9 2.317 2.159 1.360 79 HG13 ILE 9 2HG1 ILE 9 1.381 3.637 1.175 80 HG21 ILE 9 1HG2 ILE 9 4.762 3.273 3.337 81 HG22 ILE 9 2HG2 ILE 9 5.359 3.100 1.688 82 HG23 ILE 9 3HG2 ILE 9 4.131 1.993 2.301 83 HD11 ILE 9 3HD1 ILE 9 1.682 3.197 -1.005 84 HD12 ILE 9 1HD1 ILE 9 3.151 2.264 -0.727 85 HD13 ILE 9 2HD1 ILE 9 3.216 4.025 -0.736 86 H ARG 10 H ARG 10 0.287 4.420 3.624 87 HA ARG 10 HA ARG 10 0.809 2.223 5.514 88 HB2 ARG 10 1HB ARG 10 0.008 4.291 6.604 89 HB3 ARG 10 2HB ARG 10 -1.427 4.259 5.590 90 HG2 ARG 10 1HG ARG 10 -2.259 2.326 6.649 91 HG3 ARG 10 2HG ARG 10 -0.716 2.002 7.439 92 HD2 ARG 10 1HD ARG 10 -1.034 4.216 8.639 93 HD3 ARG 10 2HD ARG 10 -2.689 4.194 8.029 94 HE ARG 10 HE ARG 10 -1.917 1.791 9.418 95 HH11 ARG 10 1HH1 ARG 10 -3.248 5.014 9.799 96 HH12 ARG 10 2HH1 ARG 10 -4.072 4.628 11.272 97 HH21 ARG 10 1HH2 ARG 10 -3.004 1.296 11.351 98 HH22 ARG 10 2HH2 ARG 10 -3.933 2.518 12.152 99 H ILE 11 H ILE 11 0.308 0.380 4.507 100 HA ILE 11 HA ILE 11 -2.153 0.283 2.887 101 HB ILE 11 HB ILE 11 -1.182 -1.806 1.892 102 HG12 ILE 11 1HG1 ILE 11 1.575 -1.176 2.482 103 HG13 ILE 11 2HG1 ILE 11 0.695 -1.499 3.970 104 HG21 ILE 11 1HG2 ILE 11 0.471 -0.587 0.468 105 HG22 ILE 11 2HG2 ILE 11 0.306 0.792 1.554 106 HG23 ILE 11 3HG2 ILE 11 -1.088 0.221 0.635 107 HD11 ILE 11 3HD1 ILE 11 0.206 -3.418 1.810 108 HD12 ILE 11 1HD1 ILE 11 0.506 -3.683 3.528 109 HD13 ILE 11 2HD1 ILE 11 1.856 -3.385 2.433 110 H LYS 12 H LYS 12 -3.772 -1.100 3.425 111 HA LYS 12 HA LYS 12 -3.307 -2.889 5.723 112 HB2 LYS 12 1HB LYS 12 -5.588 -1.056 5.083 113 HB3 LYS 12 2HB LYS 12 -5.876 -2.501 6.045 114 HG2 LYS 12 1HG LYS 12 -5.516 -0.881 7.646 115 HG3 LYS 12 2HG LYS 12 -3.927 -1.634 7.504 116 HD2 LYS 12 1HD LYS 12 -3.221 0.502 7.306 117 HD3 LYS 12 2HD LYS 12 -3.721 0.302 5.626 118 HE2 LYS 12 1HE LYS 12 -4.654 2.347 6.388 119 HE3 LYS 12 2HE LYS 12 -5.971 1.183 6.293 120 HZ1 LYS 12 3HZ LYS 12 -4.850 2.511 8.601 121 HZ2 LYS 12 1HZ LYS 12 -5.167 0.865 8.825 122 HZ3 LYS 12 2HZ LYS 12 -6.408 1.909 8.351 123 H THR 13 H THR 13 -4.048 -4.956 5.607 124 HA THR 13 HA THR 13 -5.704 -5.743 3.327 125 HB THR 13 HB THR 13 -3.324 -7.426 4.019 126 HG1 THR 13 HG1 THR 13 -2.295 -5.555 3.557 127 HG21 THR 13 3HG2 THR 13 -4.632 -8.563 2.511 128 HG22 THR 13 1HG2 THR 13 -3.468 -7.753 1.467 129 HG23 THR 13 2HG2 THR 13 -5.096 -7.100 1.643 130 H GLN 14 H GLN 14 -7.416 -6.750 4.198 131 HA GLN 14 HA GLN 14 -6.932 -8.653 6.391 132 HB2 GLN 14 1HB GLN 14 -9.355 -6.866 6.126 133 HB3 GLN 14 2HB GLN 14 -9.066 -8.040 7.400 134 HG2 GLN 14 1HG GLN 14 -7.810 -6.624 8.564 135 HG3 GLN 14 2HG GLN 14 -6.894 -6.134 7.143 136 HE21 GLN 14 2HE2 GLN 14 -8.481 -4.858 5.550 137 HE22 GLN 14 1HE2 GLN 14 -9.279 -3.529 6.311 138 H GLN 15 H GLN 15 -8.201 -10.525 6.422 139 HA GLN 15 HA GLN 15 -9.983 -10.973 4.135 140 HB2 GLN 15 1HB GLN 15 -7.849 -11.854 3.407 141 HB3 GLN 15 2HB GLN 15 -7.655 -12.740 4.912 142 HG2 GLN 15 1HG GLN 15 -8.820 -14.471 4.160 143 HG3 GLN 15 2HG GLN 15 -10.116 -13.443 3.560 144 HE21 GLN 15 2HE2 GLN 15 -9.957 -12.592 1.442 145 HE22 GLN 15 1HE2 GLN 15 -8.964 -13.356 0.252 146 H HIS 16 H HIS 16 -11.638 -12.463 4.485 147 HA HIS 16 HA HIS 16 -11.704 -13.859 7.056 148 HB2 HIS 16 1HB HIS 16 -12.800 -11.697 7.467 149 HB3 HIS 16 2HB HIS 16 -13.902 -11.998 6.128 150 HD1 HIS 16 HD1 HIS 16 -16.042 -12.073 7.468 151 HD2 HIS 16 HD2 HIS 16 -13.153 -14.707 8.882 152 HE1 HIS 16 HE1 HIS 16 -17.214 -13.505 9.171 153 HE2 HIS 16 HE2 HIS 16 -15.447 -15.089 10.018 154 H ILE 17 H ILE 17 -12.205 -15.920 6.650 155 HA ILE 17 HA ILE 17 -13.954 -16.493 4.344 156 HB ILE 17 HB ILE 17 -12.056 -18.489 5.555 157 HG12 ILE 17 1HG1 ILE 17 -11.480 -16.669 3.204 158 HG13 ILE 17 2HG1 ILE 17 -10.772 -16.486 4.805 159 HG21 ILE 17 1HG2 ILE 17 -13.824 -18.350 3.190 160 HG22 ILE 17 2HG2 ILE 17 -13.390 -19.723 4.206 161 HG23 ILE 17 3HG2 ILE 17 -12.268 -19.152 2.971 162 HD11 ILE 17 3HD1 ILE 17 -10.408 -19.154 3.715 163 HD12 ILE 17 1HD1 ILE 17 -9.233 -18.037 4.406 164 HD13 ILE 17 2HD1 ILE 17 -9.698 -17.890 2.712 165 H LEU 18 H LEU 18 -15.672 -17.875 4.595 166 HA LEU 18 HA LEU 18 -16.224 -18.784 7.342 167 HB2 LEU 18 1HB LEU 18 -17.659 -16.924 5.864 168 HB3 LEU 18 2HB LEU 18 -18.586 -18.401 5.684 169 HG LEU 18 HG LEU 18 -17.741 -17.734 8.441 170 HD11 LEU 18 1HD1 LEU 18 -19.955 -16.276 8.433 171 HD12 LEU 18 2HD1 LEU 18 -19.435 -15.957 6.778 172 HD13 LEU 18 3HD1 LEU 18 -18.366 -15.572 8.127 173 HD21 LEU 18 3HD2 LEU 18 -19.595 -18.916 9.026 174 HD22 LEU 18 1HD2 LEU 18 -19.303 -19.632 7.442 175 HD23 LEU 18 2HD2 LEU 18 -20.523 -18.373 7.630 176 HA PRO 19 HA PRO 19 -16.287 -22.573 4.771 177 HB2 PRO 19 1HB PRO 19 -15.135 -24.194 6.581 178 HB3 PRO 19 2HB PRO 19 -14.190 -23.090 5.576 179 HG2 PRO 19 1HG PRO 19 -15.047 -22.797 8.426 180 HG3 PRO 19 2HG PRO 19 -13.493 -22.390 7.675 181 HD2 PRO 19 1HD PRO 19 -15.465 -20.559 8.232 182 HD3 PRO 19 2HD PRO 19 -14.236 -20.346 6.971 183 H GLU 20 H GLU 20 -17.939 -21.564 7.519 184 HA GLU 20 HA GLU 20 -19.092 -23.963 8.450 185 HB2 GLU 20 1HB GLU 20 -19.527 -21.090 8.826 186 HB3 GLU 20 2HB GLU 20 -21.004 -22.040 8.943 187 HG2 GLU 20 1HG GLU 20 -20.467 -22.501 11.035 188 HG3 GLU 20 2HG GLU 20 -19.106 -23.443 10.433 189 H VAL 21 H VAL 21 -19.601 -22.272 5.524 190 HA VAL 21 HA VAL 21 -22.328 -22.842 5.068 191 HB VAL 21 HB VAL 21 -20.189 -22.560 2.950 192 HG11 VAL 21 1HG1 VAL 21 -23.124 -21.887 2.841 193 HG12 VAL 21 2HG1 VAL 21 -22.428 -23.395 2.246 194 HG13 VAL 21 3HG1 VAL 21 -21.969 -21.859 1.510 195 HG21 VAL 21 3HG2 VAL 21 -20.986 -20.130 2.939 196 HG22 VAL 21 1HG2 VAL 21 -19.913 -20.625 4.247 197 HG23 VAL 21 2HG2 VAL 21 -21.645 -20.465 4.540 198 HA PRO 22 HA PRO 22 -21.934 -27.211 4.420 199 HB2 PRO 22 1HB PRO 22 -24.427 -27.713 3.490 200 HB3 PRO 22 2HB PRO 22 -24.091 -27.370 5.192 201 HG2 PRO 22 1HG PRO 22 -25.125 -25.539 3.060 202 HG3 PRO 22 2HG PRO 22 -25.652 -25.703 4.744 203 HD2 PRO 22 1HD PRO 22 -23.999 -23.719 3.900 204 HD3 PRO 22 2HD PRO 22 -23.937 -24.396 5.540 205 HA PRO 23 HA PRO 23 -20.648 -27.242 0.117 206 HB2 PRO 23 1HB PRO 23 -20.354 -30.143 0.656 207 HB3 PRO 23 2HB PRO 23 -19.165 -28.983 0.054 208 HG2 PRO 23 1HG PRO 23 -19.026 -29.914 2.546 209 HG3 PRO 23 2HG PRO 23 -18.635 -28.223 2.178 210 HD2 PRO 23 1HD PRO 23 -21.126 -29.377 3.376 211 HD3 PRO 23 2HD PRO 23 -20.252 -27.892 3.808 212 H VAL 24 H VAL 24 -21.107 -28.797 -1.799 213 HA VAL 24 HA VAL 24 -22.605 -29.687 -3.260 214 HB VAL 24 HB VAL 24 -24.248 -30.620 -0.905 215 HG11 VAL 24 1HG1 VAL 24 -25.381 -31.869 -2.369 216 HG12 VAL 24 2HG1 VAL 24 -23.911 -32.398 -3.186 217 HG13 VAL 24 3HG1 VAL 24 -24.654 -30.860 -3.619 218 HG21 VAL 24 3HG2 VAL 24 -22.756 -32.778 -1.433 219 HG22 VAL 24 1HG2 VAL 24 -22.307 -31.580 -0.219 220 HG23 VAL 24 2HG2 VAL 24 -21.582 -31.523 -1.826 221 H GLU 25 H GLU 25 -22.830 -26.991 -2.449 222 HA GLU 25 HA GLU 25 -25.453 -26.388 -3.417 223 HB2 GLU 25 1HB GLU 25 -25.807 -26.793 -0.944 224 HB3 GLU 25 2HB GLU 25 -24.785 -25.396 -0.642 225 HG2 GLU 25 1HG GLU 25 -26.339 -23.909 -1.498 226 HG3 GLU 25 2HG GLU 25 -27.178 -25.158 -2.413 227 H ASN 26 H ASN 26 -22.700 -24.976 -1.614 228 HA ASN 26 HA ASN 26 -22.244 -23.102 -3.794 229 HB2 ASN 26 1HB ASN 26 -23.752 -22.268 -1.635 230 HB3 ASN 26 2HB ASN 26 -22.130 -21.734 -1.207 231 HD21 ASN 26 2HD2 ASN 26 -24.856 -21.230 -3.213 232 HD22 ASN 26 1HD2 ASN 26 -24.254 -19.853 -4.065 233 H PHE 27 H PHE 27 -20.116 -22.484 -3.998 234 HA PHE 27 HA PHE 27 -18.156 -24.047 -2.650 235 HB2 PHE 27 1HB PHE 27 -18.126 -21.900 -4.720 236 HB3 PHE 27 2HB PHE 27 -16.627 -22.216 -3.858 237 HD1 PHE 27 HD2 PHE 27 -16.481 -25.046 -3.550 238 HD2 PHE 27 HD1 PHE 27 -18.034 -22.811 -6.824 239 HE1 PHE 27 HE2 PHE 27 -16.011 -26.932 -5.056 240 HE2 PHE 27 HE1 PHE 27 -17.567 -24.695 -8.336 241 HZ PHE 27 HZ PHE 27 -16.554 -26.759 -7.452 242 HA PRO 28 HA PRO 28 -16.957 -21.643 0.852 243 HB2 PRO 28 1HB PRO 28 -14.226 -21.417 0.565 244 HB3 PRO 28 2HB PRO 28 -15.049 -22.848 1.191 245 HG2 PRO 28 1HG PRO 28 -14.017 -22.307 -1.564 246 HG3 PRO 28 2HG PRO 28 -13.940 -23.800 -0.610 247 HD2 PRO 28 1HD PRO 28 -15.731 -23.487 -2.580 248 HD3 PRO 28 2HD PRO 28 -16.136 -24.369 -1.092 249 H VAL 29 H VAL 29 -17.558 -19.574 0.942 250 HA VAL 29 HA VAL 29 -16.481 -17.644 -0.967 251 HB VAL 29 HB VAL 29 -18.575 -17.166 1.157 252 HG11 VAL 29 1HG1 VAL 29 -19.137 -15.428 -0.805 253 HG12 VAL 29 2HG1 VAL 29 -17.391 -15.552 -1.015 254 HG13 VAL 29 3HG1 VAL 29 -18.058 -15.053 0.538 255 HG21 VAL 29 3HG2 VAL 29 -19.758 -18.660 -0.074 256 HG22 VAL 29 1HG2 VAL 29 -18.762 -18.430 -1.514 257 HG23 VAL 29 2HG2 VAL 29 -20.010 -17.252 -1.104 258 H ARG 30 H ARG 30 -14.936 -16.226 -0.483 259 HA ARG 30 HA ARG 30 -14.224 -15.834 2.349 260 HB2 ARG 30 1HB ARG 30 -11.893 -15.329 1.419 261 HB3 ARG 30 2HB ARG 30 -12.410 -17.007 1.439 262 HG2 ARG 30 1HG ARG 30 -13.001 -15.539 -1.041 263 HG3 ARG 30 2HG ARG 30 -11.290 -15.781 -0.686 264 HD2 ARG 30 1HD ARG 30 -13.140 -18.098 -0.411 265 HD3 ARG 30 2HD ARG 30 -12.691 -17.569 -2.031 266 HE ARG 30 HE ARG 30 -10.413 -17.879 -0.344 267 HH11 ARG 30 1HH1 ARG 30 -12.709 -19.661 -2.295 268 HH12 ARG 30 2HH1 ARG 30 -11.622 -20.974 -2.599 269 HH21 ARG 30 1HH2 ARG 30 -8.985 -19.623 -0.739 270 HH22 ARG 30 2HH2 ARG 30 -9.510 -20.953 -1.716 271 H GLN 31 H GLN 31 -13.228 -13.767 2.877 272 HA GLN 31 HA GLN 31 -14.234 -11.578 1.179 273 HB2 GLN 31 1HB GLN 31 -14.348 -12.044 4.103 274 HB3 GLN 31 2HB GLN 31 -13.997 -10.398 3.595 275 HG2 GLN 31 1HG GLN 31 -16.046 -10.149 2.540 276 HG3 GLN 31 2HG GLN 31 -16.309 -11.889 2.428 277 HE21 GLN 31 2HE2 GLN 31 -16.109 -9.199 4.707 278 HE22 GLN 31 1HE2 GLN 31 -17.182 -9.879 5.878 279 H TRP 32 H TRP 32 -13.012 -9.568 1.264 280 HA TRP 32 HA TRP 32 -10.326 -9.612 2.310 281 HB2 TRP 32 1HB TRP 32 -9.312 -9.165 0.028 282 HB3 TRP 32 2HB TRP 32 -9.832 -10.821 0.319 283 HD1 TRP 32 HD1 TRP 32 -12.212 -11.549 -0.881 284 HE1 TRP 32 HE1 TRP 32 -13.223 -10.768 -3.112 285 HE3 TRP 32 HE3 TRP 32 -9.512 -7.256 -1.538 286 HZ2 TRP 32 HZ2 TRP 32 -12.917 -8.618 -4.916 287 HZ3 TRP 32 HZ3 TRP 32 -9.935 -5.894 -3.544 288 HH2 TRP 32 HH2 TRP 32 -11.602 -6.563 -5.198 289 H SER 33 H SER 33 -9.383 -7.589 2.429 290 HA SER 33 HA SER 33 -10.728 -5.313 1.199 291 HB2 SER 33 1HB SER 33 -10.617 -4.147 3.513 292 HB3 SER 33 2HB SER 33 -11.939 -5.276 3.210 293 HG SER 33 HG SER 33 -11.173 -5.957 5.106 294 H ILE 34 H ILE 34 -9.177 -4.153 0.262 295 HA ILE 34 HA ILE 34 -6.607 -3.842 1.666 296 HB ILE 34 HB ILE 34 -6.334 -5.463 -0.169 297 HG12 ILE 34 1HG1 ILE 34 -4.609 -3.916 -1.501 298 HG13 ILE 34 2HG1 ILE 34 -4.948 -2.823 -0.164 299 HG21 ILE 34 1HG2 ILE 34 -7.079 -5.171 -2.265 300 HG22 ILE 34 2HG2 ILE 34 -6.606 -3.472 -2.306 301 HG23 ILE 34 3HG2 ILE 34 -8.123 -3.946 -1.545 302 HD11 ILE 34 3HD1 ILE 34 -4.487 -5.167 1.138 303 HD12 ILE 34 1HD1 ILE 34 -3.291 -3.902 0.860 304 HD13 ILE 34 2HD1 ILE 34 -3.385 -5.282 -0.233 305 H GLU 35 H GLU 35 -5.801 -1.811 1.755 306 HA GLU 35 HA GLU 35 -6.917 0.234 -0.031 307 HB2 GLU 35 1HB GLU 35 -7.209 1.802 1.810 308 HB3 GLU 35 2HB GLU 35 -8.183 0.363 2.067 309 HG2 GLU 35 1HG GLU 35 -5.885 -0.271 3.389 310 HG3 GLU 35 2HG GLU 35 -5.995 1.469 3.653 311 H ILE 36 H ILE 36 -5.480 1.686 -0.762 312 HA ILE 36 HA ILE 36 -2.720 1.506 0.256 313 HB ILE 36 HB ILE 36 -3.598 2.491 -2.465 314 HG12 ILE 36 1HG1 ILE 36 -2.354 0.175 -3.022 315 HG13 ILE 36 2HG1 ILE 36 -3.025 -0.248 -1.450 316 HG21 ILE 36 1HG2 ILE 36 -1.456 3.370 -1.760 317 HG22 ILE 36 2HG2 ILE 36 -1.227 2.184 -3.043 318 HG23 ILE 36 3HG2 ILE 36 -0.888 1.746 -1.370 319 HD11 ILE 36 3HD1 ILE 36 -4.640 0.813 -3.755 320 HD12 ILE 36 1HD1 ILE 36 -5.249 0.191 -2.223 321 HD13 ILE 36 2HD1 ILE 36 -4.451 -0.895 -3.361 322 H VAL 37 H VAL 37 -2.159 3.188 1.493 323 HA VAL 37 HA VAL 37 -3.162 5.869 0.770 324 HB VAL 37 HB VAL 37 -2.614 4.907 3.578 325 HG11 VAL 37 1HG1 VAL 37 -2.590 7.456 2.703 326 HG12 VAL 37 2HG1 VAL 37 -3.095 6.980 4.325 327 HG13 VAL 37 3HG1 VAL 37 -4.304 7.267 3.072 328 HG21 VAL 37 3HG2 VAL 37 -4.982 4.771 3.926 329 HG22 VAL 37 1HG2 VAL 37 -4.561 3.768 2.537 330 HG23 VAL 37 2HG2 VAL 37 -5.300 5.352 2.291 331 H LEU 38 H LEU 38 -1.679 7.486 0.644 332 HA LEU 38 HA LEU 38 0.902 7.291 1.914 333 HB2 LEU 38 1HB LEU 38 2.100 7.614 -0.317 334 HB3 LEU 38 2HB LEU 38 1.545 5.999 0.081 335 HG LEU 38 HG LEU 38 -0.586 6.851 -1.323 336 HD11 LEU 38 1HD1 LEU 38 -0.190 8.442 -2.865 337 HD12 LEU 38 2HD1 LEU 38 1.504 7.992 -3.059 338 HD13 LEU 38 3HD1 LEU 38 1.007 8.985 -1.690 339 HD21 LEU 38 3HD2 LEU 38 0.767 4.804 -1.669 340 HD22 LEU 38 1HD2 LEU 38 1.927 5.762 -2.585 341 HD23 LEU 38 2HD2 LEU 38 0.277 5.578 -3.175 342 H LEU 39 H LEU 39 2.147 9.252 1.783 343 HA LEU 39 HA LEU 39 0.469 11.596 1.238 344 HB2 LEU 39 1HB LEU 39 2.681 11.004 3.114 345 HB3 LEU 39 2HB LEU 39 2.616 12.638 2.480 346 HG LEU 39 HG LEU 39 0.078 12.454 3.229 347 HD11 LEU 39 1HD1 LEU 39 1.210 10.900 5.473 348 HD12 LEU 39 2HD1 LEU 39 0.805 10.009 4.005 349 HD13 LEU 39 3HD1 LEU 39 -0.433 10.950 4.834 350 HD21 LEU 39 3HD2 LEU 39 1.065 13.145 5.615 351 HD22 LEU 39 1HD2 LEU 39 1.135 14.205 4.208 352 HD23 LEU 39 2HD2 LEU 39 2.545 13.248 4.659 353 H ASP 40 H ASP 40 1.520 13.549 0.361 354 HA ASP 40 HA ASP 40 3.974 13.489 -1.004 355 HB2 ASP 40 1HB ASP 40 2.262 11.943 -2.375 356 HB3 ASP 40 2HB ASP 40 1.818 13.511 -3.051 357 H ASP 41 H ASP 41 0.658 14.762 -1.170 358 HA ASP 41 HA ASP 41 1.332 17.295 -2.220 359 HB2 ASP 41 1HB ASP 41 -0.902 18.003 -1.444 360 HB3 ASP 41 2HB ASP 41 -0.958 16.465 -2.301 361 H GLU 42 H GLU 42 1.702 15.973 0.934 362 HA GLU 42 HA GLU 42 1.940 18.623 2.159 363 HB2 GLU 42 1HB GLU 42 1.471 15.880 3.179 364 HB3 GLU 42 2HB GLU 42 2.430 16.939 4.202 365 HG2 GLU 42 1HG GLU 42 0.320 18.535 3.489 366 HG3 GLU 42 2HG GLU 42 -0.425 16.949 3.646 367 H GLY 43 H GLY 43 3.838 15.740 1.406 368 HA2 GLY 43 1HA GLY 43 6.225 17.036 2.506 369 HA3 GLY 43 2HA GLY 43 6.092 15.340 2.067 370 H LYS 44 H LYS 44 5.322 18.280 0.225 371 HA LYS 44 HA LYS 44 6.036 19.066 -1.778 372 HB2 LYS 44 1HB LYS 44 8.427 17.959 -0.507 373 HB3 LYS 44 2HB LYS 44 8.525 17.991 -2.258 374 HG2 LYS 44 1HG LYS 44 7.837 20.422 -2.120 375 HG3 LYS 44 2HG LYS 44 8.127 20.297 -0.383 376 HD2 LYS 44 1HD LYS 44 10.279 19.295 -2.144 377 HD3 LYS 44 2HD LYS 44 10.010 21.039 -2.163 378 HE2 LYS 44 1HE LYS 44 10.252 21.105 0.267 379 HE3 LYS 44 2HE LYS 44 10.495 19.361 0.295 380 HZ1 LYS 44 3HZ LYS 44 12.328 21.477 -0.502 381 HZ2 LYS 44 1HZ LYS 44 12.392 20.052 -1.411 382 HZ3 LYS 44 2HZ LYS 44 12.646 20.003 0.262 383 H GLU 45 H GLU 45 4.711 18.144 -3.268 384 HA GLU 45 HA GLU 45 5.067 15.391 -4.070 385 HB2 GLU 45 1HB GLU 45 3.146 15.764 -5.528 386 HB3 GLU 45 2HB GLU 45 2.815 16.326 -3.897 387 HG2 GLU 45 1HG GLU 45 3.727 18.605 -5.045 388 HG3 GLU 45 2HG GLU 45 2.967 17.816 -6.424 389 H ILE 46 H ILE 46 7.426 16.631 -4.606 390 HA ILE 46 HA ILE 46 7.432 16.836 -7.544 391 HB ILE 46 HB ILE 46 9.266 18.386 -5.714 392 HG12 ILE 46 1HG1 ILE 46 7.257 19.775 -7.412 393 HG13 ILE 46 2HG1 ILE 46 6.653 18.976 -5.965 394 HG21 ILE 46 1HG2 ILE 46 9.376 19.635 -8.094 395 HG22 ILE 46 2HG2 ILE 46 9.091 17.978 -8.629 396 HG23 ILE 46 3HG2 ILE 46 10.482 18.351 -7.610 397 HD11 ILE 46 3HD1 ILE 46 8.094 21.459 -6.243 398 HD12 ILE 46 1HD1 ILE 46 8.882 20.375 -5.096 399 HD13 ILE 46 2HD1 ILE 46 7.191 20.823 -4.867 400 HA PRO 47 HA PRO 47 10.089 13.212 -6.924 401 HB2 PRO 47 1HB PRO 47 10.427 13.626 -9.849 402 HB3 PRO 47 2HB PRO 47 9.983 12.163 -8.963 403 HG2 PRO 47 1HG PRO 47 8.160 13.525 -10.345 404 HG3 PRO 47 2HG PRO 47 7.758 12.791 -8.782 405 HD2 PRO 47 1HD PRO 47 8.310 15.651 -9.450 406 HD3 PRO 47 2HD PRO 47 7.130 14.965 -8.316 407 H ALA 48 H ALA 48 12.337 12.695 -7.293 408 HA ALA 48 HA ALA 48 14.044 14.960 -8.070 409 HB1 ALA 48 3HB ALA 48 15.546 13.983 -6.086 410 HB2 ALA 48 1HB ALA 48 13.948 13.600 -5.443 411 HB3 ALA 48 2HB ALA 48 14.360 15.266 -5.848 412 H THR 49 H THR 49 14.156 11.515 -7.102 413 HA THR 49 HA THR 49 16.149 11.093 -9.236 414 HB THR 49 HB THR 49 15.841 9.503 -6.681 415 HG1 THR 49 HG1 THR 49 17.700 11.508 -7.414 416 HG21 THR 49 3HG2 THR 49 18.188 9.459 -8.542 417 HG22 THR 49 1HG2 THR 49 16.850 8.319 -8.681 418 HG23 THR 49 2HG2 THR 49 17.817 8.368 -7.208 419 H ILE 50 H ILE 50 13.835 9.134 -7.323 420 HA ILE 50 HA ILE 50 12.981 7.893 -9.856 421 HB ILE 50 HB ILE 50 13.087 6.537 -7.155 422 HG12 ILE 50 1HG1 ILE 50 14.748 5.926 -9.602 423 HG13 ILE 50 2HG1 ILE 50 15.311 6.965 -8.297 424 HG21 ILE 50 1HG2 ILE 50 11.241 5.816 -8.671 425 HG22 ILE 50 2HG2 ILE 50 12.394 4.541 -8.282 426 HG23 ILE 50 3HG2 ILE 50 12.463 5.341 -9.851 427 HD11 ILE 50 3HD1 ILE 50 15.489 5.217 -6.808 428 HD12 ILE 50 1HD1 ILE 50 15.969 4.465 -8.329 429 HD13 ILE 50 2HD1 ILE 50 14.345 4.208 -7.693 430 H PHE 51 H PHE 51 11.692 7.664 -6.540 431 HA PHE 51 HA PHE 51 9.629 8.008 -5.679 432 HB2 PHE 51 1HB PHE 51 10.052 10.328 -5.938 433 HB3 PHE 51 2HB PHE 51 9.769 10.262 -7.670 434 HD1 PHE 51 HD2 PHE 51 8.087 9.911 -4.381 435 HD2 PHE 51 HD1 PHE 51 7.633 10.700 -8.541 436 HE1 PHE 51 HE2 PHE 51 5.743 10.551 -4.002 437 HE2 PHE 51 HE1 PHE 51 5.289 11.340 -8.164 438 HZ PHE 51 HZ PHE 51 4.340 11.267 -5.894 439 H ASP 52 H ASP 52 8.516 6.197 -6.142 440 HA ASP 52 HA ASP 52 6.319 6.342 -7.905 441 HB2 ASP 52 1HB ASP 52 8.258 5.881 -9.511 442 HB3 ASP 52 2HB ASP 52 8.350 4.288 -8.768 443 H LYS 53 H LYS 53 4.918 5.489 -6.490 444 HA LYS 53 HA LYS 53 5.688 3.167 -4.900 445 HB2 LYS 53 1HB LYS 53 3.029 4.586 -4.822 446 HB3 LYS 53 2HB LYS 53 3.751 3.569 -3.584 447 HG2 LYS 53 1HG LYS 53 4.368 5.472 -2.612 448 HG3 LYS 53 2HG LYS 53 5.606 5.571 -3.867 449 HD2 LYS 53 1HD LYS 53 3.767 6.726 -5.268 450 HD3 LYS 53 2HD LYS 53 2.945 6.947 -3.723 451 HE2 LYS 53 1HE LYS 53 5.732 7.891 -4.385 452 HE3 LYS 53 2HE LYS 53 4.289 8.903 -4.340 453 HZ1 LYS 53 3HZ LYS 53 4.972 9.271 -2.246 454 HZ2 LYS 53 1HZ LYS 53 5.877 7.845 -2.155 455 HZ3 LYS 53 2HZ LYS 53 4.203 7.801 -1.916 456 H VAL 54 H VAL 54 5.070 1.130 -5.342 457 HA VAL 54 HA VAL 54 2.824 0.724 -7.188 458 HB VAL 54 HB VAL 54 4.140 -1.275 -8.108 459 HG11 VAL 54 1HG1 VAL 54 5.032 0.029 -9.880 460 HG12 VAL 54 2HG1 VAL 54 5.199 1.445 -8.841 461 HG13 VAL 54 3HG1 VAL 54 3.596 0.870 -9.298 462 HG21 VAL 54 3HG2 VAL 54 6.530 0.343 -7.265 463 HG22 VAL 54 1HG2 VAL 54 6.491 -1.266 -7.985 464 HG23 VAL 54 2HG2 VAL 54 5.938 -1.029 -6.329 465 H ILE 55 H ILE 55 1.313 -0.401 -6.231 466 HA ILE 55 HA ILE 55 2.048 -2.353 -4.156 467 HB ILE 55 HB ILE 55 -0.782 -1.485 -4.537 468 HG12 ILE 55 1HG1 ILE 55 0.375 0.650 -4.585 469 HG13 ILE 55 2HG1 ILE 55 -0.416 0.452 -3.027 470 HG21 ILE 55 1HG2 ILE 55 -0.131 -1.505 -1.850 471 HG22 ILE 55 2HG2 ILE 55 0.828 -2.817 -2.534 472 HG23 ILE 55 3HG2 ILE 55 -0.921 -2.799 -2.751 473 HD11 ILE 55 3HD1 ILE 55 2.451 -0.302 -3.350 474 HD12 ILE 55 1HD1 ILE 55 1.575 0.194 -1.903 475 HD13 ILE 55 2HD1 ILE 55 1.986 1.386 -3.135 476 H TYR 56 H TYR 56 0.892 -4.372 -4.067 477 HA TYR 56 HA TYR 56 -0.484 -5.201 -6.509 478 HB2 TYR 56 1HB TYR 56 2.036 -6.447 -5.427 479 HB3 TYR 56 2HB TYR 56 0.905 -7.368 -6.411 480 HD1 TYR 56 HD2 TYR 56 3.077 -4.355 -6.423 481 HD2 TYR 56 HD1 TYR 56 0.927 -7.193 -8.754 482 HE1 TYR 56 HE2 TYR 56 4.137 -3.479 -8.457 483 HE2 TYR 56 HE1 TYR 56 1.983 -6.325 -10.795 484 HH TYR 56 HH TYR 56 3.592 -3.410 -10.940 485 H HIS 57 H HIS 57 -2.029 -6.769 -6.208 486 HA HIS 57 HA HIS 57 -2.176 -8.196 -3.685 487 HB2 HIS 57 1HB HIS 57 -4.621 -7.436 -3.435 488 HB3 HIS 57 2HB HIS 57 -3.364 -6.301 -2.962 489 HD1 HIS 57 HD1 HIS 57 -2.976 -4.245 -4.538 490 HD2 HIS 57 HD2 HIS 57 -6.234 -6.623 -5.534 491 HE1 HIS 57 HE1 HIS 57 -4.333 -2.881 -6.156 492 HE2 HIS 57 HE2 HIS 57 -6.320 -4.324 -6.719 493 H LEU 58 H LEU 58 -2.638 -10.227 -4.171 494 HA LEU 58 HA LEU 58 -3.547 -12.080 -5.108 495 HB2 LEU 58 1HB LEU 58 -5.547 -10.070 -6.122 496 HB3 LEU 58 2HB LEU 58 -5.655 -11.775 -6.511 497 HG LEU 58 HG LEU 58 -5.532 -12.033 -3.874 498 HD11 LEU 58 1HD1 LEU 58 -7.249 -9.797 -3.524 499 HD12 LEU 58 2HD1 LEU 58 -5.721 -9.226 -4.191 500 HD13 LEU 58 3HD1 LEU 58 -5.735 -10.168 -2.701 501 HD21 LEU 58 3HD2 LEU 58 -7.385 -12.981 -4.800 502 HD22 LEU 58 1HD2 LEU 58 -7.805 -11.537 -5.719 503 HD23 LEU 58 2HD2 LEU 58 -8.145 -11.611 -3.991 504 H HIS 59 H HIS 59 -3.846 -13.210 -7.218 505 HA HIS 59 HA HIS 59 -1.884 -12.234 -9.085 506 HB2 HIS 59 1HB HIS 59 -2.636 -14.761 -8.295 507 HB3 HIS 59 2HB HIS 59 -3.346 -14.633 -9.901 508 HD1 HIS 59 HD1 HIS 59 -0.198 -15.308 -8.194 509 HD2 HIS 59 HD2 HIS 59 -1.356 -13.962 -11.953 510 HE1 HIS 59 HE1 HIS 59 1.818 -15.610 -9.669 511 HE2 HIS 59 HE2 HIS 59 1.077 -14.838 -11.950 512 HA PRO 60 HA PRO 60 -5.927 -12.554 -11.996 513 HB2 PRO 60 1HB PRO 60 -7.744 -11.599 -9.836 514 HB3 PRO 60 2HB PRO 60 -8.071 -12.663 -11.206 515 HG2 PRO 60 1HG PRO 60 -7.770 -13.665 -8.765 516 HG3 PRO 60 2HG PRO 60 -7.106 -14.507 -10.175 517 HD2 PRO 60 1HD PRO 60 -5.714 -12.900 -8.088 518 HD3 PRO 60 2HD PRO 60 -5.153 -14.333 -8.974 519 H THR 61 H THR 61 -5.258 -10.213 -9.447 520 HA THR 61 HA THR 61 -6.346 -7.995 -10.914 521 HB THR 61 HB THR 61 -4.404 -7.590 -8.685 522 HG1 THR 61 HG1 THR 61 -7.021 -8.645 -8.361 523 HG21 THR 61 3HG2 THR 61 -5.304 -5.572 -9.265 524 HG22 THR 61 1HG2 THR 61 -6.410 -6.085 -7.993 525 HG23 THR 61 2HG2 THR 61 -6.872 -6.263 -9.683 526 H PHE 62 H PHE 62 -3.879 -9.817 -11.741 527 HA PHE 62 HA PHE 62 -1.656 -8.133 -12.016 528 HB2 PHE 62 1HB PHE 62 -0.788 -9.751 -13.510 529 HB3 PHE 62 2HB PHE 62 -1.750 -10.654 -12.354 530 HD1 PHE 62 HD2 PHE 62 -4.130 -11.313 -13.055 531 HD2 PHE 62 HD1 PHE 62 -1.168 -9.960 -15.801 532 HE1 PHE 62 HE2 PHE 62 -5.382 -12.336 -14.908 533 HE2 PHE 62 HE1 PHE 62 -2.419 -10.983 -17.654 534 HZ PHE 62 HZ PHE 62 -4.526 -12.174 -17.211 535 H ALA 63 H ALA 63 -4.585 -8.450 -13.910 536 HA ALA 63 HA ALA 63 -3.737 -7.125 -16.242 537 HB1 ALA 63 3HB ALA 63 -6.329 -6.535 -16.273 538 HB2 ALA 63 1HB ALA 63 -6.361 -7.784 -15.028 539 HB3 ALA 63 2HB ALA 63 -5.724 -8.152 -16.632 540 H ASN 64 H ASN 64 -4.932 -5.919 -13.150 541 HA ASN 64 HA ASN 64 -4.198 -3.218 -14.023 542 HB2 ASN 64 1HB ASN 64 -6.137 -2.285 -12.783 543 HB3 ASN 64 2HB ASN 64 -6.606 -3.263 -14.167 544 HD21 ASN 64 2HD2 ASN 64 -7.201 -5.531 -13.693 545 HD22 ASN 64 1HD2 ASN 64 -8.041 -5.857 -12.219 546 HA PRO 65 HA PRO 65 -2.045 -4.362 -10.051 547 HB2 PRO 65 1HB PRO 65 0.096 -2.796 -11.354 548 HB3 PRO 65 2HB PRO 65 0.171 -4.404 -10.625 549 HG2 PRO 65 1HG PRO 65 0.285 -4.072 -13.278 550 HG3 PRO 65 2HG PRO 65 -0.561 -5.455 -12.558 551 HD2 PRO 65 1HD PRO 65 -1.687 -2.913 -13.673 552 HD3 PRO 65 2HD PRO 65 -2.271 -4.578 -13.862 553 H ASN 66 H ASN 66 -0.592 -2.668 -8.733 554 HA ASN 66 HA ASN 66 -2.109 -0.144 -8.729 555 HB2 ASN 66 1HB ASN 66 -1.646 -1.991 -6.655 556 HB3 ASN 66 2HB ASN 66 -0.657 -0.582 -6.283 557 HD21 ASN 66 2HD2 ASN 66 -1.606 1.199 -5.494 558 HD22 ASN 66 1HD2 ASN 66 -3.311 1.399 -5.299 559 H ARG 67 H ARG 67 -1.079 1.699 -9.098 560 HA ARG 67 HA ARG 67 1.746 1.981 -8.494 561 HB2 ARG 67 1HB ARG 67 2.154 2.950 -10.818 562 HB3 ARG 67 2HB ARG 67 2.029 1.201 -10.701 563 HG2 ARG 67 1HG ARG 67 -0.388 2.824 -11.381 564 HG3 ARG 67 2HG ARG 67 0.820 2.464 -12.617 565 HD2 ARG 67 1HD ARG 67 0.469 0.016 -11.486 566 HD3 ARG 67 2HD ARG 67 -1.146 0.704 -11.321 567 HE ARG 67 HE ARG 67 -1.425 0.428 -13.561 568 HH11 ARG 67 1HH1 ARG 67 2.016 0.493 -12.910 569 HH12 ARG 67 2HH1 ARG 67 2.459 0.089 -14.534 570 HH21 ARG 67 1HH2 ARG 67 -0.836 -0.103 -15.704 571 HH22 ARG 67 2HH2 ARG 67 0.838 -0.250 -16.122 572 H THR 68 H THR 68 1.604 3.688 -7.178 573 HA THR 68 HA THR 68 -0.182 5.900 -7.869 574 HB THR 68 HB THR 68 1.424 5.611 -5.333 575 HG1 THR 68 HG1 THR 68 -1.181 4.629 -5.878 576 HG21 THR 68 3HG2 THR 68 0.548 7.769 -5.407 577 HG22 THR 68 1HG2 THR 68 -0.589 6.858 -4.415 578 HG23 THR 68 2HG2 THR 68 -0.982 7.224 -6.096 579 H PHE 69 H PHE 69 0.607 7.537 -8.976 580 HA PHE 69 HA PHE 69 3.407 8.347 -8.540 581 HB2 PHE 69 1HB PHE 69 2.948 7.302 -10.794 582 HB3 PHE 69 2HB PHE 69 1.869 8.653 -11.128 583 HD1 PHE 69 HD1 PHE 69 5.317 8.295 -9.717 584 HD2 PHE 69 HD2 PHE 69 2.778 10.175 -12.570 585 HE1 PHE 69 HE1 PHE 69 7.228 9.605 -10.548 586 HE2 PHE 69 HE2 PHE 69 4.683 11.489 -13.404 587 HZ PHE 69 HZ PHE 69 6.909 11.205 -12.394 588 H THR 70 H THR 70 0.219 9.491 -9.657 589 HA THR 70 HA THR 70 0.518 11.890 -8.040 590 HB THR 70 HB THR 70 -0.387 13.203 -10.127 591 HG1 THR 70 HG1 THR 70 1.112 11.159 -11.396 592 HG21 THR 70 3HG2 THR 70 1.670 14.100 -10.498 593 HG22 THR 70 1HG2 THR 70 2.489 12.540 -10.422 594 HG23 THR 70 2HG2 THR 70 1.939 13.319 -8.938 595 H ASP 71 H ASP 71 -1.154 9.576 -7.806 596 HA ASP 71 HA ASP 71 -3.814 10.788 -8.207 597 HB2 ASP 71 1HB ASP 71 -2.898 7.949 -8.566 598 HB3 ASP 71 2HB ASP 71 -4.579 8.296 -8.170 599 HA PRO 72 HA PRO 72 -4.576 10.415 -3.868 600 HB2 PRO 72 1HB PRO 72 -7.205 9.702 -3.797 601 HB3 PRO 72 2HB PRO 72 -6.654 11.328 -4.222 602 HG2 PRO 72 1HG PRO 72 -7.473 9.076 -6.019 603 HG3 PRO 72 2HG PRO 72 -7.892 10.796 -6.121 604 HD2 PRO 72 1HD PRO 72 -5.970 9.701 -7.659 605 HD3 PRO 72 2HD PRO 72 -5.861 11.366 -7.058 606 HA PRO 73 HA PRO 73 -4.281 6.290 -2.293 607 HB2 PRO 73 1HB PRO 73 -6.082 6.223 -0.225 608 HB3 PRO 73 2HB PRO 73 -4.499 7.001 -0.129 609 HG2 PRO 73 1HG PRO 73 -7.182 8.219 -0.645 610 HG3 PRO 73 2HG PRO 73 -5.865 8.807 0.387 611 HD2 PRO 73 1HD PRO 73 -6.310 9.835 -2.052 612 HD3 PRO 73 2HD PRO 73 -4.666 9.649 -1.409 613 H PHE 74 H PHE 74 -5.666 4.296 -1.599 614 HA PHE 74 HA PHE 74 -8.197 4.173 -3.065 615 HB2 PHE 74 1HB PHE 74 -5.772 2.473 -3.614 616 HB3 PHE 74 2HB PHE 74 -7.394 1.904 -3.992 617 HD1 PHE 74 HD1 PHE 74 -8.691 2.924 -5.767 618 HD2 PHE 74 HD2 PHE 74 -4.756 4.271 -4.863 619 HE1 PHE 74 HE1 PHE 74 -8.613 4.126 -7.911 620 HE2 PHE 74 HE2 PHE 74 -4.671 5.476 -7.006 621 HZ PHE 74 HZ PHE 74 -6.603 5.406 -8.533 622 H ARG 75 H ARG 75 -9.395 2.135 -2.604 623 HA ARG 75 HA ARG 75 -8.681 0.403 -0.522 624 HB2 ARG 75 1HB ARG 75 -10.002 1.211 1.297 625 HB3 ARG 75 2HB ARG 75 -8.931 2.498 0.795 626 HG2 ARG 75 1HG ARG 75 -10.955 3.294 -0.615 627 HG3 ARG 75 2HG ARG 75 -11.891 2.277 0.482 628 HD2 ARG 75 1HD ARG 75 -11.732 3.767 2.133 629 HD3 ARG 75 2HD ARG 75 -9.989 3.916 1.914 630 HE ARG 75 HE ARG 75 -11.534 5.321 -0.066 631 HH11 ARG 75 1HH1 ARG 75 -10.106 5.529 3.125 632 HH12 ARG 75 2HH1 ARG 75 -10.012 7.257 3.104 633 HH21 ARG 75 1HH2 ARG 75 -11.408 7.601 -0.085 634 HH22 ARG 75 2HH2 ARG 75 -10.751 8.433 1.284 635 H ILE 76 H ILE 76 -9.785 -1.385 -0.954 636 HA ILE 76 HA ILE 76 -12.608 -1.205 -1.733 637 HB ILE 76 HB ILE 76 -10.678 -2.985 -3.223 638 HG12 ILE 76 1HG1 ILE 76 -11.470 -1.238 -5.112 639 HG13 ILE 76 2HG1 ILE 76 -11.489 -0.167 -3.714 640 HG21 ILE 76 1HG2 ILE 76 -12.939 -3.818 -3.177 641 HG22 ILE 76 2HG2 ILE 76 -12.567 -3.220 -4.793 642 HG23 ILE 76 3HG2 ILE 76 -13.562 -2.254 -3.704 643 HD11 ILE 76 3HD1 ILE 76 -9.305 -0.844 -5.290 644 HD12 ILE 76 1HD1 ILE 76 -9.071 -1.729 -3.782 645 HD13 ILE 76 2HD1 ILE 76 -9.284 0.022 -3.754 646 H GLU 77 H GLU 77 -13.852 -2.689 -0.745 647 HA GLU 77 HA GLU 77 -12.608 -5.127 0.304 648 HB2 GLU 77 1HB GLU 77 -13.938 -4.855 2.414 649 HB3 GLU 77 2HB GLU 77 -12.639 -3.690 2.211 650 HG2 GLU 77 1HG GLU 77 -14.354 -2.075 1.351 651 HG3 GLU 77 2HG GLU 77 -15.587 -3.233 1.841 652 H GLU 78 H GLU 78 -13.635 -6.775 -0.620 653 HA GLU 78 HA GLU 78 -16.567 -6.754 -0.716 654 HB2 GLU 78 1HB GLU 78 -14.748 -7.352 -3.054 655 HB3 GLU 78 2HB GLU 78 -16.459 -7.754 -3.022 656 HG2 GLU 78 1HG GLU 78 -15.736 -4.950 -2.428 657 HG3 GLU 78 2HG GLU 78 -15.507 -5.504 -4.085 658 H GLN 79 H GLN 79 -17.357 -9.014 -1.498 659 HA GLN 79 HA GLN 79 -15.708 -11.099 -0.227 660 HB2 GLN 79 1HB GLN 79 -17.826 -12.174 0.497 661 HB3 GLN 79 2HB GLN 79 -17.569 -10.598 1.229 662 HG2 GLN 79 1HG GLN 79 -19.065 -10.324 -1.205 663 HG3 GLN 79 2HG GLN 79 -19.830 -11.505 -0.145 664 HE21 GLN 79 2HE2 GLN 79 -19.349 -8.222 -0.789 665 HE22 GLN 79 1HE2 GLN 79 -20.086 -7.582 0.636 666 H GLY 80 H GLY 80 -16.429 -13.360 -0.903 667 HA2 GLY 80 1HA GLY 80 -17.696 -14.526 -2.751 668 HA3 GLY 80 2HA GLY 80 -16.937 -13.353 -3.816 669 H TRP 81 H TRP 81 -15.306 -14.185 -4.930 670 HA TRP 81 HA TRP 81 -13.619 -16.219 -3.621 671 HB2 TRP 81 1HB TRP 81 -13.154 -17.089 -5.934 672 HB3 TRP 81 2HB TRP 81 -14.811 -17.312 -5.391 673 HD1 TRP 81 HD1 TRP 81 -16.662 -15.555 -6.485 674 HE1 TRP 81 HE1 TRP 81 -16.712 -14.496 -8.831 675 HE3 TRP 81 HE3 TRP 81 -11.767 -16.243 -7.794 676 HZ2 TRP 81 HZ2 TRP 81 -14.916 -14.022 -10.959 677 HZ3 TRP 81 HZ3 TRP 81 -11.014 -15.458 -10.001 678 HH2 TRP 81 HH2 TRP 81 -12.557 -14.371 -11.549 679 H GLY 82 H GLY 82 -11.738 -15.329 -3.059 680 HA2 GLY 82 1HA GLY 82 -9.989 -14.200 -4.987 681 HA3 GLY 82 2HA GLY 82 -10.701 -12.929 -4.008 682 H GLY 83 H GLY 83 -8.144 -15.061 -4.278 683 HA2 GLY 83 1HA GLY 83 -7.051 -14.232 -1.761 684 HA3 GLY 83 2HA GLY 83 -7.509 -15.927 -1.755 685 H PHE 84 H PHE 84 -5.079 -13.717 -2.483 686 HA PHE 84 HA PHE 84 -3.309 -15.792 -3.404 687 HB2 PHE 84 1HB PHE 84 -4.467 -13.811 -5.288 688 HB3 PHE 84 2HB PHE 84 -2.742 -14.107 -5.432 689 HD1 PHE 84 HD1 PHE 84 -1.983 -16.541 -5.734 690 HD2 PHE 84 HD2 PHE 84 -6.008 -15.255 -6.263 691 HE1 PHE 84 HE1 PHE 84 -2.445 -18.547 -7.077 692 HE2 PHE 84 HE2 PHE 84 -6.475 -17.263 -7.604 693 HZ PHE 84 HZ PHE 84 -4.693 -18.912 -8.014 694 HA PRO 85 HA PRO 85 -0.047 -13.360 -1.668 695 HB2 PRO 85 1HB PRO 85 1.367 -13.218 -4.278 696 HB3 PRO 85 2HB PRO 85 1.930 -13.844 -2.723 697 HG2 PRO 85 1HG PRO 85 1.281 -15.503 -4.697 698 HG3 PRO 85 2HG PRO 85 0.864 -15.886 -3.015 699 HD2 PRO 85 1HD PRO 85 -0.880 -14.834 -5.209 700 HD3 PRO 85 2HD PRO 85 -1.241 -16.053 -3.970 701 H LEU 86 H LEU 86 1.232 -11.335 -1.809 702 HA LEU 86 HA LEU 86 0.167 -9.270 -3.588 703 HB2 LEU 86 1HB LEU 86 0.308 -8.905 -0.593 704 HB3 LEU 86 2HB LEU 86 -0.293 -7.750 -1.765 705 HG LEU 86 HG LEU 86 -2.027 -9.687 -2.279 706 HD11 LEU 86 1HD1 LEU 86 -1.810 -10.161 0.638 707 HD12 LEU 86 2HD1 LEU 86 -0.690 -11.021 -0.415 708 HD13 LEU 86 3HD1 LEU 86 -2.426 -11.204 -0.641 709 HD21 LEU 86 3HD2 LEU 86 -3.379 -8.683 -0.267 710 HD22 LEU 86 1HD2 LEU 86 -2.962 -7.688 -1.660 711 HD23 LEU 86 2HD2 LEU 86 -2.010 -7.573 -0.181 712 H ASP 87 H ASP 87 1.467 -7.170 -3.283 713 HA ASP 87 HA ASP 87 4.078 -7.445 -2.099 714 HB2 ASP 87 1HB ASP 87 4.272 -8.648 -4.300 715 HB3 ASP 87 2HB ASP 87 3.947 -7.115 -5.101 716 H ILE 88 H ILE 88 4.493 -5.524 -1.225 717 HA ILE 88 HA ILE 88 3.477 -3.119 -2.596 718 HB ILE 88 HB ILE 88 3.529 -1.986 -0.399 719 HG12 ILE 88 1HG1 ILE 88 3.475 -4.240 1.340 720 HG13 ILE 88 2HG1 ILE 88 4.948 -4.347 0.384 721 HG21 ILE 88 1HG2 ILE 88 1.757 -4.000 0.465 722 HG22 ILE 88 2HG2 ILE 88 1.720 -4.003 -1.297 723 HG23 ILE 88 3HG2 ILE 88 1.378 -2.516 -0.410 724 HD11 ILE 88 3HD1 ILE 88 5.349 -1.922 1.040 725 HD12 ILE 88 1HD1 ILE 88 5.547 -3.149 2.290 726 HD13 ILE 88 2HD1 ILE 88 4.084 -2.167 2.243 727 H SER 89 H SER 89 5.052 -2.162 -3.703 728 HA SER 89 HA SER 89 7.689 -1.873 -2.407 729 HB2 SER 89 1HB SER 89 8.339 -1.620 -5.012 730 HB3 SER 89 2HB SER 89 8.358 -3.165 -4.168 731 HG SER 89 HG SER 89 6.498 -3.737 -5.133 732 H VAL 90 H VAL 90 7.899 0.170 -1.758 733 HA VAL 90 HA VAL 90 6.698 2.307 -3.382 734 HB VAL 90 HB VAL 90 7.707 2.531 -0.545 735 HG11 VAL 90 1HG1 VAL 90 6.396 4.363 -2.460 736 HG12 VAL 90 2HG1 VAL 90 7.529 4.707 -1.151 737 HG13 VAL 90 3HG1 VAL 90 5.825 4.429 -0.793 738 HG21 VAL 90 3HG2 VAL 90 5.072 1.644 -1.632 739 HG22 VAL 90 1HG2 VAL 90 5.120 2.569 -0.132 740 HG23 VAL 90 2HG2 VAL 90 5.981 1.035 -0.248 741 H PHE 91 H PHE 91 7.861 4.107 -4.014 742 HA PHE 91 HA PHE 91 10.767 4.076 -3.587 743 HB2 PHE 91 1HB PHE 91 9.328 4.450 -6.224 744 HB3 PHE 91 2HB PHE 91 11.012 4.880 -5.974 745 HD1 PHE 91 HD1 PHE 91 8.753 1.945 -5.448 746 HD2 PHE 91 HD2 PHE 91 12.583 3.363 -6.647 747 HE1 PHE 91 HE1 PHE 91 9.418 -0.350 -6.025 748 HE2 PHE 91 HE2 PHE 91 13.256 1.069 -7.224 749 HZ PHE 91 HZ PHE 91 11.674 -0.791 -6.914 750 H LEU 92 H LEU 92 11.765 6.160 -3.727 751 HA LEU 92 HA LEU 92 9.964 8.459 -3.827 752 HB2 LEU 92 1HB LEU 92 10.092 7.790 -1.473 753 HB3 LEU 92 2HB LEU 92 11.838 7.896 -1.532 754 HG LEU 92 HG LEU 92 11.241 10.400 -2.300 755 HD11 LEU 92 1HD1 LEU 92 9.193 10.200 -0.209 756 HD12 LEU 92 2HD1 LEU 92 8.743 9.495 -1.763 757 HD13 LEU 92 3HD1 LEU 92 9.239 11.183 -1.671 758 HD21 LEU 92 3HD2 LEU 92 12.703 10.245 -0.546 759 HD22 LEU 92 1HD2 LEU 92 11.665 9.152 0.369 760 HD23 LEU 92 2HD2 LEU 92 11.283 10.872 0.288 761 H LEU 93 H LEU 93 13.368 7.535 -3.249 762 HA LEU 93 HA LEU 93 14.161 9.360 -5.384 763 HB2 LEU 93 1HB LEU 93 14.678 9.784 -2.542 764 HB3 LEU 93 2HB LEU 93 16.150 9.748 -3.493 765 HG LEU 93 HG LEU 93 14.897 11.451 -5.023 766 HD11 LEU 93 1HD1 LEU 93 13.108 11.190 -2.733 767 HD12 LEU 93 2HD1 LEU 93 12.813 11.864 -4.335 768 HD13 LEU 93 3HD1 LEU 93 13.568 12.855 -3.089 769 HD21 LEU 93 3HD2 LEU 93 16.875 11.715 -3.302 770 HD22 LEU 93 1HD2 LEU 93 15.662 12.622 -2.397 771 HD23 LEU 93 2HD2 LEU 93 16.100 13.122 -4.030 772 H GLU 94 H GLU 94 15.848 7.521 -2.844 773 HA GLU 94 HA GLU 94 16.724 5.493 -4.671 774 HB2 GLU 94 1HB GLU 94 18.223 7.738 -4.823 775 HB3 GLU 94 2HB GLU 94 19.049 6.912 -3.508 776 HG2 GLU 94 1HG GLU 94 18.442 5.299 -5.904 777 HG3 GLU 94 2HG GLU 94 19.663 6.560 -6.081 778 H LYS 95 H LYS 95 17.497 7.116 -1.593 779 HA LYS 95 HA LYS 95 17.258 4.540 -0.230 780 HB2 LYS 95 1HB LYS 95 19.305 4.888 1.036 781 HB3 LYS 95 2HB LYS 95 19.657 4.866 -0.684 782 HG2 LYS 95 1HG LYS 95 19.228 7.467 0.728 783 HG3 LYS 95 2HG LYS 95 20.780 6.637 0.832 784 HD2 LYS 95 1HD LYS 95 20.902 6.617 -1.635 785 HD3 LYS 95 2HD LYS 95 19.387 7.517 -1.697 786 HE2 LYS 95 1HE LYS 95 21.643 8.598 -0.079 787 HE3 LYS 95 2HE LYS 95 21.703 8.753 -1.834 788 HZ1 LYS 95 3HZ LYS 95 20.667 10.658 -0.579 789 HZ2 LYS 95 1HZ LYS 95 19.362 9.633 -0.245 790 HZ3 LYS 95 2HZ LYS 95 19.743 10.026 -1.845 791 H ALA 96 H ALA 96 15.549 6.933 -0.384 792 HA ALA 96 HA ALA 96 15.740 8.026 2.332 793 HB1 ALA 96 3HB ALA 96 15.371 9.843 1.008 794 HB2 ALA 96 1HB ALA 96 13.697 9.399 1.338 795 HB3 ALA 96 2HB ALA 96 14.449 8.930 -0.186 796 H GLY 97 H GLY 97 13.431 6.378 0.186 797 HA2 GLY 97 1HA GLY 97 12.244 5.033 2.455 798 HA3 GLY 97 2HA GLY 97 11.177 6.187 1.668 799 H GLU 98 H GLU 98 13.596 4.019 0.246 800 HA GLU 98 HA GLU 98 11.512 2.939 -1.506 801 HB2 GLU 98 1HB GLU 98 13.782 3.986 -2.286 802 HB3 GLU 98 2HB GLU 98 14.445 2.418 -1.857 803 HG2 GLU 98 1HG GLU 98 12.511 1.513 -3.358 804 HG3 GLU 98 2HG GLU 98 12.544 3.143 -4.029 805 H ARG 99 H ARG 99 10.553 1.272 -0.410 806 HA ARG 99 HA ARG 99 12.248 -1.040 0.165 807 HB2 ARG 99 1HB ARG 99 10.444 0.330 2.142 808 HB3 ARG 99 2HB ARG 99 10.796 -1.389 2.281 809 HG2 ARG 99 1HG ARG 99 13.285 -0.237 1.945 810 HG3 ARG 99 2HG ARG 99 12.423 0.905 2.978 811 HD2 ARG 99 1HD ARG 99 11.793 -1.623 3.988 812 HD3 ARG 99 2HD ARG 99 13.514 -1.692 3.607 813 HE ARG 99 HE ARG 99 12.761 0.670 5.058 814 HH11 ARG 99 1HH1 ARG 99 13.685 -2.697 5.376 815 HH12 ARG 99 2HH1 ARG 99 14.281 -2.505 6.991 816 HH21 ARG 99 1HH2 ARG 99 13.543 0.910 7.186 817 HH22 ARG 99 2HH2 ARG 99 14.200 -0.460 8.018 818 H LYS 100 H LYS 100 11.202 -3.049 0.062 819 HA LYS 100 HA LYS 100 8.412 -3.036 -0.852 820 HB2 LYS 100 1HB LYS 100 8.948 -4.673 -2.598 821 HB3 LYS 100 2HB LYS 100 9.809 -3.161 -2.848 822 HG2 LYS 100 1HG LYS 100 11.684 -4.459 -1.471 823 HG3 LYS 100 2HG LYS 100 10.845 -5.850 -2.164 824 HD2 LYS 100 1HD LYS 100 11.505 -3.584 -3.971 825 HD3 LYS 100 2HD LYS 100 12.829 -4.617 -3.430 826 HE2 LYS 100 1HE LYS 100 10.415 -6.027 -4.364 827 HE3 LYS 100 2HE LYS 100 11.290 -5.122 -5.598 828 HZ1 LYS 100 3HZ LYS 100 12.205 -7.412 -3.986 829 HZ2 LYS 100 1HZ LYS 100 13.337 -6.328 -4.625 830 HZ3 LYS 100 2HZ LYS 100 12.301 -7.177 -5.658 831 H ILE 101 H ILE 101 7.160 -4.689 -0.095 832 HA ILE 101 HA ILE 101 8.444 -6.996 1.163 833 HB ILE 101 HB ILE 101 6.354 -5.406 2.649 834 HG12 ILE 101 1HG1 ILE 101 9.349 -5.480 3.099 835 HG13 ILE 101 2HG1 ILE 101 8.434 -4.101 2.500 836 HG21 ILE 101 1HG2 ILE 101 6.719 -7.950 2.982 837 HG22 ILE 101 2HG2 ILE 101 6.609 -6.902 4.396 838 HG23 ILE 101 3HG2 ILE 101 8.183 -7.455 3.832 839 HD11 ILE 101 3HD1 ILE 101 7.129 -4.290 4.710 840 HD12 ILE 101 1HD1 ILE 101 8.755 -3.610 4.736 841 HD13 ILE 101 2HD1 ILE 101 8.490 -5.275 5.244 842 HA PRO 102 HA PRO 102 4.887 -8.755 -0.929 843 HB2 PRO 102 1HB PRO 102 5.609 -11.328 -0.738 844 HB3 PRO 102 2HB PRO 102 6.440 -10.212 -1.829 845 HG2 PRO 102 1HG PRO 102 7.275 -11.194 0.872 846 HG3 PRO 102 2HG PRO 102 8.251 -10.973 -0.592 847 HD2 PRO 102 1HD PRO 102 8.154 -9.176 1.489 848 HD3 PRO 102 2HD PRO 102 8.576 -8.748 -0.180 849 H HIS 103 H HIS 103 2.969 -9.703 -0.306 850 HA HIS 103 HA HIS 103 2.770 -10.681 2.465 851 HB2 HIS 103 1HB HIS 103 1.240 -8.506 1.111 852 HB3 HIS 103 2HB HIS 103 0.364 -9.545 2.230 853 HD1 HIS 103 HD1 HIS 103 3.782 -9.155 3.372 854 HD2 HIS 103 HD2 HIS 103 0.263 -6.961 3.672 855 HE1 HIS 103 HE1 HIS 103 4.143 -7.565 5.282 856 HE2 HIS 103 HE2 HIS 103 1.942 -6.366 5.546 857 H ASP 104 H ASP 104 0.516 -11.766 2.804 858 HA ASP 104 HA ASP 104 -0.242 -13.266 0.388 859 HB2 ASP 104 1HB ASP 104 -0.329 -15.340 1.653 860 HB3 ASP 104 2HB ASP 104 1.282 -14.643 1.768 861 H LEU 105 H LEU 105 -2.398 -13.685 0.137 862 HA LEU 105 HA LEU 105 -4.198 -12.956 2.347 863 HB2 LEU 105 1HB LEU 105 -4.115 -11.081 0.787 864 HB3 LEU 105 2HB LEU 105 -4.487 -12.149 -0.552 865 HG LEU 105 HG LEU 105 -6.635 -12.613 1.017 866 HD11 LEU 105 1HD1 LEU 105 -7.430 -10.497 1.920 867 HD12 LEU 105 2HD1 LEU 105 -5.909 -9.724 1.479 868 HD13 LEU 105 3HD1 LEU 105 -5.931 -10.991 2.704 869 HD21 LEU 105 3HD2 LEU 105 -6.316 -11.780 -1.432 870 HD22 LEU 105 1HD2 LEU 105 -6.668 -10.198 -0.734 871 HD23 LEU 105 2HD2 LEU 105 -7.843 -11.506 -0.595 872 H ASN 106 H ASN 106 -4.380 -15.238 2.728 873 HA ASN 106 HA ASN 106 -6.517 -16.440 1.226 874 HB2 ASN 106 1HB ASN 106 -3.837 -17.075 0.484 875 HB3 ASN 106 2HB ASN 106 -4.527 -18.493 1.263 876 HD21 ASN 106 2HD2 ASN 106 -7.254 -17.932 0.396 877 HD22 ASN 106 1HD2 ASN 106 -7.296 -18.284 -1.293 878 H PHE 107 H PHE 107 -6.111 -15.631 3.967 879 HA PHE 107 HA PHE 107 -6.596 -18.217 5.257 880 HB2 PHE 107 1HB PHE 107 -4.685 -16.088 6.228 881 HB3 PHE 107 2HB PHE 107 -5.294 -17.377 7.260 882 HD1 PHE 107 HD1 PHE 107 -3.351 -16.698 4.183 883 HD2 PHE 107 HD2 PHE 107 -4.319 -19.512 7.225 884 HE1 PHE 107 HE1 PHE 107 -1.552 -18.173 3.386 885 HE2 PHE 107 HE2 PHE 107 -2.521 -20.990 6.434 886 HZ PHE 107 HZ PHE 107 -1.134 -20.324 4.512 887 H LEU 108 H LEU 108 -8.300 -18.243 6.588 888 HA LEU 108 HA LEU 108 -10.104 -16.114 6.731 889 HB2 LEU 108 1HB LEU 108 -11.267 -17.448 8.453 890 HB3 LEU 108 2HB LEU 108 -10.857 -18.385 7.033 891 HG LEU 108 HG LEU 108 -8.831 -18.539 9.141 892 HD11 LEU 108 1HD1 LEU 108 -11.676 -19.107 9.744 893 HD12 LEU 108 2HD1 LEU 108 -10.370 -18.585 10.808 894 HD13 LEU 108 3HD1 LEU 108 -10.473 -20.271 10.301 895 HD21 LEU 108 3HD2 LEU 108 -8.525 -20.602 8.297 896 HD22 LEU 108 1HD2 LEU 108 -9.454 -19.972 6.939 897 HD23 LEU 108 2HD2 LEU 108 -10.253 -20.931 8.184 898 H GLN 109 H GLN 109 -10.158 -14.348 7.934 899 HA GLN 109 HA GLN 109 -9.816 -12.846 9.606 900 HB2 GLN 109 1HB GLN 109 -10.144 -15.117 10.995 901 HB3 GLN 109 2HB GLN 109 -8.468 -14.789 11.414 902 HG2 GLN 109 1HG GLN 109 -9.069 -12.633 12.310 903 HG3 GLN 109 2HG GLN 109 -10.736 -12.843 11.775 904 HE21 GLN 109 2HE2 GLN 109 -11.876 -14.761 12.689 905 HE22 GLN 109 1HE2 GLN 109 -11.568 -15.158 14.342 906 H GLU 110 H GLU 110 -8.238 -12.190 7.912 907 HA GLU 110 HA GLU 110 -5.446 -12.500 8.775 908 HB2 GLU 110 1HB GLU 110 -5.963 -13.183 6.444 909 HB3 GLU 110 2HB GLU 110 -6.519 -11.553 6.109 910 HG2 GLU 110 1HG GLU 110 -4.455 -11.108 5.433 911 HG3 GLU 110 2HG GLU 110 -3.973 -11.174 7.129 912 H SER 111 H SER 111 -4.244 -10.757 9.309 913 HA SER 111 HA SER 111 -5.370 -8.082 8.939 914 HB2 SER 111 1HB SER 111 -4.815 -7.485 11.271 915 HB3 SER 111 2HB SER 111 -6.022 -8.767 11.193 916 HG SER 111 HG SER 111 -3.662 -8.794 12.414 917 H TYR 112 H TYR 112 -3.725 -8.257 7.224 918 HA TYR 112 HA TYR 112 -0.990 -7.843 8.221 919 HB2 TYR 112 1HB TYR 112 -2.107 -9.175 5.839 920 HB3 TYR 112 2HB TYR 112 -0.706 -8.160 5.528 921 HD1 TYR 112 HD1 TYR 112 -1.601 -10.455 8.354 922 HD2 TYR 112 HD2 TYR 112 1.160 -9.469 5.271 923 HE1 TYR 112 HE1 TYR 112 -0.115 -12.265 9.109 924 HE2 TYR 112 HE2 TYR 112 2.649 -11.271 6.016 925 HH TYR 112 HH TYR 112 2.258 -13.548 7.319 926 H GLU 113 H GLU 113 -0.315 -5.835 8.238 927 HA GLU 113 HA GLU 113 -0.928 -4.048 6.045 928 HB2 GLU 113 1HB GLU 113 -2.081 -2.412 7.233 929 HB3 GLU 113 2HB GLU 113 -2.787 -3.910 7.801 930 HG2 GLU 113 1HG GLU 113 -1.041 -3.697 9.718 931 HG3 GLU 113 2HG GLU 113 -0.996 -2.002 9.233 932 H VAL 114 H VAL 114 0.765 -2.856 5.536 933 HA VAL 114 HA VAL 114 2.990 -2.682 7.446 934 HB VAL 114 HB VAL 114 3.123 -2.126 4.482 935 HG11 VAL 114 1HG1 VAL 114 4.958 -1.150 5.648 936 HG12 VAL 114 2HG1 VAL 114 5.553 -2.618 4.876 937 HG13 VAL 114 3HG1 VAL 114 5.207 -2.609 6.605 938 HG21 VAL 114 3HG2 VAL 114 4.321 -4.456 4.575 939 HG22 VAL 114 1HG2 VAL 114 2.569 -4.350 4.405 940 HG23 VAL 114 2HG2 VAL 114 3.284 -4.695 5.980 941 H GLU 115 H GLU 115 4.032 -0.769 7.889 942 HA GLU 115 HA GLU 115 2.848 1.703 6.834 943 HB2 GLU 115 1HB GLU 115 3.333 0.994 9.724 944 HB3 GLU 115 2HB GLU 115 3.159 2.657 9.182 945 HG2 GLU 115 1HG GLU 115 0.947 2.499 9.099 946 HG3 GLU 115 2HG GLU 115 1.015 0.996 8.187 947 H HIS 116 H HIS 116 4.453 2.584 5.698 948 HA HIS 116 HA HIS 116 7.170 2.589 6.851 949 HB2 HIS 116 1HB HIS 116 6.157 2.135 4.134 950 HB3 HIS 116 2HB HIS 116 7.496 3.274 4.207 951 HD1 HIS 116 HD1 HIS 116 6.969 -0.129 3.644 952 HD2 HIS 116 HD2 HIS 116 9.645 1.970 6.031 953 HE1 HIS 116 HE1 HIS 116 8.878 -1.709 4.062 954 HE2 HIS 116 HE2 HIS 116 10.432 -0.455 5.599 955 H VAL 117 H VAL 117 7.939 4.495 7.515 956 HA VAL 117 HA VAL 117 6.584 6.947 6.621 957 HB VAL 117 HB VAL 117 6.601 6.542 9.053 958 HG11 VAL 117 1HG1 VAL 117 8.646 6.639 10.338 959 HG12 VAL 117 2HG1 VAL 117 9.595 6.856 8.868 960 HG13 VAL 117 3HG1 VAL 117 8.752 5.334 9.156 961 HG21 VAL 117 3HG2 VAL 117 7.248 8.744 9.721 962 HG22 VAL 117 1HG2 VAL 117 6.604 8.848 8.083 963 HG23 VAL 117 2HG2 VAL 117 8.347 8.898 8.352 964 H ILE 118 H ILE 118 7.687 8.677 5.778 965 HA ILE 118 HA ILE 118 10.579 8.370 5.300 966 HB ILE 118 HB ILE 118 8.669 9.480 3.244 967 HG12 ILE 118 1HG1 ILE 118 9.555 7.174 2.128 968 HG13 ILE 118 2HG1 ILE 118 9.460 6.684 3.816 969 HG21 ILE 118 1HG2 ILE 118 10.457 9.879 1.946 970 HG22 ILE 118 2HG2 ILE 118 11.292 8.414 2.460 971 HG23 ILE 118 3HG2 ILE 118 11.338 9.857 3.474 972 HD11 ILE 118 3HD1 ILE 118 7.324 7.288 1.895 973 HD12 ILE 118 1HD1 ILE 118 7.075 7.903 3.528 974 HD13 ILE 118 2HD1 ILE 118 7.346 6.181 3.268 975 H GLN 119 H GLN 119 11.661 10.075 6.097 976 HA GLN 119 HA GLN 119 10.341 12.707 6.063 977 HB2 GLN 119 1HB GLN 119 11.385 13.240 8.217 978 HB3 GLN 119 2HB GLN 119 10.309 11.859 8.346 979 HG2 GLN 119 1HG GLN 119 12.010 10.950 9.481 980 HG3 GLN 119 2HG GLN 119 12.651 10.605 7.876 981 HE21 GLN 119 2HE2 GLN 119 14.730 10.583 8.942 982 HE22 GLN 119 1HE2 GLN 119 15.552 12.072 9.242 983 H ILE 120 H ILE 120 11.422 14.168 4.920 984 HA ILE 120 HA ILE 120 14.312 14.325 5.053 985 HB ILE 120 HB ILE 120 14.489 14.420 2.512 986 HG12 ILE 120 1HG1 ILE 120 12.172 12.556 2.382 987 HG13 ILE 120 2HG1 ILE 120 11.820 14.278 2.475 988 HG21 ILE 120 1HG2 ILE 120 15.164 12.520 4.156 989 HG22 ILE 120 2HG2 ILE 120 15.173 12.228 2.418 990 HG23 ILE 120 3HG2 ILE 120 13.828 11.649 3.400 991 HD11 ILE 120 3HD1 ILE 120 12.169 14.447 0.305 992 HD12 ILE 120 1HD1 ILE 120 12.593 12.737 0.224 993 HD13 ILE 120 2HD1 ILE 120 13.841 13.942 0.537 994 HA PRO 121 HA PRO 121 11.950 18.368 4.538 995 HB2 PRO 121 1HB PRO 121 13.014 19.573 6.741 996 HB3 PRO 121 2HB PRO 121 11.525 18.625 6.772 997 HG2 PRO 121 1HG PRO 121 14.300 17.816 7.547 998 HG3 PRO 121 2HG PRO 121 12.763 17.473 8.363 999 HD2 PRO 121 1HD PRO 121 14.004 15.646 6.809 1000 HD3 PRO 121 2HD PRO 121 12.236 15.749 6.922 1001 H LEU 122 H LEU 122 15.312 17.622 5.343 1002 HA LEU 122 HA LEU 122 16.151 19.960 3.757 1003 HB2 LEU 122 1HB LEU 122 16.799 19.389 6.360 1004 HB3 LEU 122 2HB LEU 122 18.168 18.718 5.493 1005 HG LEU 122 HG LEU 122 17.313 21.501 4.834 1006 HD11 LEU 122 1HD1 LEU 122 18.173 22.493 6.702 1007 HD12 LEU 122 2HD1 LEU 122 19.218 21.126 7.086 1008 HD13 LEU 122 3HD1 LEU 122 17.491 21.034 7.422 1009 HD21 LEU 122 3HD2 LEU 122 19.772 21.769 4.595 1010 HD22 LEU 122 1HD2 LEU 122 19.088 20.542 3.531 1011 HD23 LEU 122 2HD2 LEU 122 19.958 20.061 4.987 1012 H ASN 123 H ASN 123 15.470 17.197 2.833 1013 HA ASN 123 HA ASN 123 17.957 16.708 1.359 1014 HB2 ASN 123 1HB ASN 123 16.417 14.709 2.991 1015 HB3 ASN 123 2HB ASN 123 17.312 14.182 1.570 1016 HD21 ASN 123 2HD2 ASN 123 17.679 13.669 4.485 1017 HD22 ASN 123 1HD2 ASN 123 19.321 14.100 4.807 Start of MODEL 18 1 H1 MET 1 1H MET 1 9.606 28.981 1.900 2 H2 MET 1 2H MET 1 11.045 28.166 1.447 3 H3 MET 1 3H MET 1 10.711 29.731 0.830 4 HA MET 1 HA MET 1 12.220 30.173 2.428 5 HB2 MET 1 1HB MET 1 9.468 30.775 2.926 6 HB3 MET 1 2HB MET 1 10.257 30.512 4.474 7 HG2 MET 1 1HG MET 1 10.963 32.604 4.371 8 HG3 MET 1 2HG MET 1 12.026 32.115 3.055 9 HE1 MET 1 3HE MET 1 9.716 32.876 -0.060 10 HE2 MET 1 1HE MET 1 9.400 31.435 0.910 11 HE3 MET 1 2HE MET 1 11.060 31.911 0.553 12 H VAL 2 H VAL 2 9.935 27.729 3.627 13 HA VAL 2 HA VAL 2 12.019 26.810 5.498 14 HB VAL 2 HB VAL 2 9.045 26.342 5.774 15 HG11 VAL 2 1HG1 VAL 2 10.862 24.769 6.801 16 HG12 VAL 2 2HG1 VAL 2 9.480 25.277 7.771 17 HG13 VAL 2 3HG1 VAL 2 11.042 26.069 7.979 18 HG21 VAL 2 3HG2 VAL 2 10.381 28.071 7.735 19 HG22 VAL 2 1HG2 VAL 2 8.804 28.234 6.965 20 HG23 VAL 2 2HG2 VAL 2 10.256 28.758 6.116 21 H ALA 3 H ALA 3 9.149 25.511 3.811 22 HA ALA 3 HA ALA 3 8.807 23.626 2.594 23 HB1 ALA 3 3HB ALA 3 10.694 22.555 1.469 24 HB2 ALA 3 1HB ALA 3 11.817 23.502 2.445 25 HB3 ALA 3 2HB ALA 3 10.748 24.308 1.297 26 H THR 4 H THR 4 8.364 21.514 3.040 27 HA THR 4 HA THR 4 9.929 20.059 5.000 28 HB THR 4 HB THR 4 7.558 19.549 6.142 29 HG1 THR 4 HG1 THR 4 6.283 20.955 5.063 30 HG21 THR 4 3HG2 THR 4 9.775 21.228 6.811 31 HG22 THR 4 1HG2 THR 4 8.719 20.286 7.865 32 HG23 THR 4 2HG2 THR 4 8.274 21.931 7.414 33 H VAL 5 H VAL 5 9.595 17.829 4.955 34 HA VAL 5 HA VAL 5 7.779 16.849 2.853 35 HB VAL 5 HB VAL 5 10.479 15.655 3.501 36 HG11 VAL 5 1HG1 VAL 5 8.387 14.419 2.354 37 HG12 VAL 5 2HG1 VAL 5 10.066 14.063 1.950 38 HG13 VAL 5 3HG1 VAL 5 9.124 15.148 0.928 39 HG21 VAL 5 3HG2 VAL 5 10.907 16.579 1.068 40 HG22 VAL 5 1HG2 VAL 5 11.175 17.587 2.491 41 HG23 VAL 5 2HG2 VAL 5 9.692 17.763 1.552 42 H LYS 6 H LYS 6 6.269 15.569 3.657 43 HA LYS 6 HA LYS 6 6.953 13.732 5.839 44 HB2 LYS 6 1HB LYS 6 4.745 15.752 5.785 45 HB3 LYS 6 2HB LYS 6 4.495 14.230 6.626 46 HG2 LYS 6 1HG LYS 6 6.240 14.669 8.150 47 HG3 LYS 6 2HG LYS 6 6.847 16.016 7.184 48 HD2 LYS 6 1HD LYS 6 4.043 16.252 8.045 49 HD3 LYS 6 2HD LYS 6 5.232 16.279 9.349 50 HE2 LYS 6 1HE LYS 6 5.800 18.371 8.855 51 HE3 LYS 6 2HE LYS 6 6.135 17.924 7.182 52 HZ1 LYS 6 3HZ LYS 6 3.327 18.205 7.893 53 HZ2 LYS 6 1HZ LYS 6 4.141 18.675 6.487 54 HZ3 LYS 6 2HZ LYS 6 4.232 19.634 7.877 55 H ARG 7 H ARG 7 6.808 11.822 4.846 56 HA ARG 7 HA ARG 7 4.358 11.232 3.314 57 HB2 ARG 7 1HB ARG 7 7.214 10.710 2.700 58 HB3 ARG 7 2HB ARG 7 6.076 9.434 2.295 59 HG2 ARG 7 1HG ARG 7 4.986 10.724 0.719 60 HG3 ARG 7 2HG ARG 7 5.552 12.243 1.422 61 HD2 ARG 7 1HD ARG 7 7.883 11.546 0.745 62 HD3 ARG 7 2HD ARG 7 7.138 10.235 -0.168 63 HE ARG 7 HE ARG 7 7.245 13.005 -0.889 64 HH11 ARG 7 1HH1 ARG 7 5.419 10.043 -1.286 65 HH12 ARG 7 2HH1 ARG 7 4.726 10.527 -2.796 66 HH21 ARG 7 1HH2 ARG 7 6.342 13.632 -2.885 67 HH22 ARG 7 2HH2 ARG 7 5.253 12.564 -3.708 68 H THR 8 H THR 8 3.706 8.966 3.324 69 HA THR 8 HA THR 8 4.816 7.053 5.066 70 HB THR 8 HB THR 8 4.062 8.402 6.893 71 HG1 THR 8 HG1 THR 8 3.244 6.734 7.837 72 HG21 THR 8 3HG2 THR 8 1.466 8.598 5.412 73 HG22 THR 8 1HG2 THR 8 2.493 9.895 6.023 74 HG23 THR 8 2HG2 THR 8 1.586 8.883 7.147 75 H ILE 9 H ILE 9 4.135 5.112 4.416 76 HA ILE 9 HA ILE 9 1.681 4.994 2.803 77 HB ILE 9 HB ILE 9 3.733 4.387 1.589 78 HG12 ILE 9 1HG1 ILE 9 2.392 1.764 1.783 79 HG13 ILE 9 2HG1 ILE 9 1.318 3.135 1.524 80 HG21 ILE 9 1HG2 ILE 9 4.580 3.225 3.875 81 HG22 ILE 9 2HG2 ILE 9 5.265 2.899 2.283 82 HG23 ILE 9 3HG2 ILE 9 4.054 1.811 2.962 83 HD11 ILE 9 3HD1 ILE 9 1.821 3.133 -0.622 84 HD12 ILE 9 1HD1 ILE 9 2.877 1.743 -0.365 85 HD13 ILE 9 2HD1 ILE 9 3.526 3.379 -0.246 86 H ARG 10 H ARG 10 -0.005 4.087 3.732 87 HA ARG 10 HA ARG 10 0.448 1.994 5.758 88 HB2 ARG 10 1HB ARG 10 -1.262 4.392 5.767 89 HB3 ARG 10 2HB ARG 10 -2.053 2.926 6.324 90 HG2 ARG 10 1HG ARG 10 -1.045 3.065 8.287 91 HG3 ARG 10 2HG ARG 10 0.543 3.141 7.522 92 HD2 ARG 10 1HD ARG 10 0.377 5.525 7.281 93 HD3 ARG 10 2HD ARG 10 -1.299 5.511 7.829 94 HE ARG 10 HE ARG 10 1.064 5.436 9.463 95 HH11 ARG 10 1HH1 ARG 10 -2.343 4.628 9.325 96 HH12 ARG 10 2HH1 ARG 10 -2.546 4.652 11.044 97 HH21 ARG 10 1HH2 ARG 10 0.792 5.460 11.728 98 HH22 ARG 10 2HH2 ARG 10 -0.765 5.125 12.409 99 H ILE 11 H ILE 11 -0.014 0.083 4.883 100 HA ILE 11 HA ILE 11 -2.379 -0.113 3.132 101 HB ILE 11 HB ILE 11 -1.317 -2.140 2.152 102 HG12 ILE 11 1HG1 ILE 11 1.277 -1.230 3.371 103 HG13 ILE 11 2HG1 ILE 11 0.246 -2.378 4.217 104 HG21 ILE 11 1HG2 ILE 11 -0.297 0.612 1.867 105 HG22 ILE 11 2HG2 ILE 11 -1.011 -0.468 0.669 106 HG23 ILE 11 3HG2 ILE 11 0.681 -0.657 1.130 107 HD11 ILE 11 3HD1 ILE 11 0.930 -2.959 1.395 108 HD12 ILE 11 1HD1 ILE 11 0.679 -4.055 2.754 109 HD13 ILE 11 2HD1 ILE 11 2.187 -3.153 2.617 110 H LYS 12 H LYS 12 -3.930 -1.594 3.591 111 HA LYS 12 HA LYS 12 -3.490 -3.325 5.938 112 HB2 LYS 12 1HB LYS 12 -5.778 -1.549 5.212 113 HB3 LYS 12 2HB LYS 12 -6.115 -3.036 6.085 114 HG2 LYS 12 1HG LYS 12 -5.905 -1.245 7.653 115 HG3 LYS 12 2HG LYS 12 -4.518 -2.319 7.836 116 HD2 LYS 12 1HD LYS 12 -3.063 -0.715 7.254 117 HD3 LYS 12 2HD LYS 12 -4.073 -0.162 5.915 118 HE2 LYS 12 1HE LYS 12 -3.861 1.626 7.495 119 HE3 LYS 12 2HE LYS 12 -5.514 1.014 7.560 120 HZ1 LYS 12 3HZ LYS 12 -5.182 0.077 9.615 121 HZ2 LYS 12 1HZ LYS 12 -4.212 1.457 9.743 122 HZ3 LYS 12 2HZ LYS 12 -3.505 -0.049 9.434 123 H THR 13 H THR 13 -4.120 -5.430 5.804 124 HA THR 13 HA THR 13 -5.681 -6.290 3.484 125 HB THR 13 HB THR 13 -3.166 -7.762 4.247 126 HG1 THR 13 HG1 THR 13 -2.053 -6.616 2.767 127 HG21 THR 13 3HG2 THR 13 -3.443 -9.014 2.392 128 HG22 THR 13 1HG2 THR 13 -4.226 -7.716 1.492 129 HG23 THR 13 2HG2 THR 13 -5.140 -8.632 2.691 130 H GLN 14 H GLN 14 -7.412 -7.102 4.507 131 HA GLN 14 HA GLN 14 -6.944 -9.101 6.621 132 HB2 GLN 14 1HB GLN 14 -9.045 -6.966 6.395 133 HB3 GLN 14 2HB GLN 14 -9.336 -8.413 7.350 134 HG2 GLN 14 1HG GLN 14 -7.972 -7.755 9.005 135 HG3 GLN 14 2HG GLN 14 -6.789 -7.067 7.896 136 HE21 GLN 14 2HE2 GLN 14 -6.886 -4.922 7.380 137 HE22 GLN 14 1HE2 GLN 14 -7.971 -3.811 8.139 138 H GLN 15 H GLN 15 -8.447 -10.882 6.719 139 HA GLN 15 HA GLN 15 -10.283 -11.262 4.516 140 HB2 GLN 15 1HB GLN 15 -8.351 -11.986 3.368 141 HB3 GLN 15 2HB GLN 15 -7.722 -12.824 4.778 142 HG2 GLN 15 1HG GLN 15 -8.836 -14.700 4.310 143 HG3 GLN 15 2HG GLN 15 -10.306 -13.836 3.864 144 HE21 GLN 15 2HE2 GLN 15 -8.051 -15.860 2.717 145 HE22 GLN 15 1HE2 GLN 15 -8.094 -15.456 1.039 146 H HIS 16 H HIS 16 -11.855 -12.816 4.941 147 HA HIS 16 HA HIS 16 -11.545 -14.364 7.423 148 HB2 HIS 16 1HB HIS 16 -14.206 -13.138 6.821 149 HB3 HIS 16 2HB HIS 16 -13.536 -13.653 8.361 150 HD1 HIS 16 HD1 HIS 16 -11.099 -12.024 8.735 151 HD2 HIS 16 HD2 HIS 16 -14.508 -10.467 6.941 152 HE1 HIS 16 HE1 HIS 16 -10.923 -9.532 9.009 153 HE2 HIS 16 HE2 HIS 16 -13.030 -8.614 7.974 154 H ILE 17 H ILE 17 -11.839 -16.449 7.015 155 HA ILE 17 HA ILE 17 -13.683 -17.198 4.835 156 HB ILE 17 HB ILE 17 -11.415 -18.917 5.824 157 HG12 ILE 17 1HG1 ILE 17 -11.338 -17.155 3.369 158 HG13 ILE 17 2HG1 ILE 17 -10.617 -16.691 4.904 159 HG21 ILE 17 1HG2 ILE 17 -11.813 -20.258 3.970 160 HG22 ILE 17 2HG2 ILE 17 -12.696 -18.993 3.117 161 HG23 ILE 17 3HG2 ILE 17 -13.435 -19.809 4.494 162 HD11 ILE 17 3HD1 ILE 17 -9.423 -19.029 4.638 163 HD12 ILE 17 1HD1 ILE 17 -8.799 -17.569 3.872 164 HD13 ILE 17 2HD1 ILE 17 -9.749 -18.722 2.934 165 H LEU 18 H LEU 18 -15.552 -17.628 5.883 166 HA LEU 18 HA LEU 18 -15.632 -19.962 7.590 167 HB2 LEU 18 1HB LEU 18 -16.048 -17.216 8.615 168 HB3 LEU 18 2HB LEU 18 -17.208 -18.422 9.136 169 HG LEU 18 HG LEU 18 -14.383 -19.221 9.402 170 HD11 LEU 18 1HD1 LEU 18 -14.598 -16.700 10.011 171 HD12 LEU 18 2HD1 LEU 18 -13.756 -17.800 11.101 172 HD13 LEU 18 3HD1 LEU 18 -15.415 -17.311 11.449 173 HD21 LEU 18 3HD2 LEU 18 -15.366 -19.801 11.721 174 HD22 LEU 18 1HD2 LEU 18 -15.894 -20.724 10.315 175 HD23 LEU 18 2HD2 LEU 18 -16.921 -19.451 10.970 176 HA PRO 19 HA PRO 19 -19.252 -20.031 4.880 177 HB2 PRO 19 1HB PRO 19 -19.924 -22.622 5.441 178 HB3 PRO 19 2HB PRO 19 -18.704 -22.159 4.249 179 HG2 PRO 19 1HG PRO 19 -18.346 -23.107 7.059 180 HG3 PRO 19 2HG PRO 19 -17.400 -23.498 5.612 181 HD2 PRO 19 1HD PRO 19 -16.563 -21.709 7.469 182 HD3 PRO 19 2HD PRO 19 -16.154 -21.568 5.749 183 H GLU 20 H GLU 20 -19.325 -21.591 8.100 184 HA GLU 20 HA GLU 20 -20.883 -21.629 9.751 185 HB2 GLU 20 1HB GLU 20 -21.835 -18.985 8.647 186 HB3 GLU 20 2HB GLU 20 -21.962 -19.567 10.301 187 HG2 GLU 20 1HG GLU 20 -19.438 -19.562 10.360 188 HG3 GLU 20 2HG GLU 20 -19.496 -18.685 8.833 189 H VAL 21 H VAL 21 -21.574 -22.867 7.216 190 HA VAL 21 HA VAL 21 -24.512 -22.690 7.381 191 HB VAL 21 HB VAL 21 -22.952 -23.347 4.873 192 HG11 VAL 21 1HG1 VAL 21 -25.873 -22.709 5.263 193 HG12 VAL 21 2HG1 VAL 21 -25.206 -24.321 5.009 194 HG13 VAL 21 3HG1 VAL 21 -25.082 -23.104 3.739 195 HG21 VAL 21 3HG2 VAL 21 -23.883 -20.751 5.964 196 HG22 VAL 21 1HG2 VAL 21 -24.098 -21.030 4.236 197 HG23 VAL 21 2HG2 VAL 21 -22.489 -21.123 4.950 198 HA PRO 22 HA PRO 22 -24.492 -26.980 8.537 199 HB2 PRO 22 1HB PRO 22 -26.875 -27.145 6.745 200 HB3 PRO 22 2HB PRO 22 -26.692 -27.668 8.425 201 HG2 PRO 22 1HG PRO 22 -28.027 -25.448 7.844 202 HG3 PRO 22 2HG PRO 22 -26.959 -25.515 9.259 203 HD2 PRO 22 1HD PRO 22 -26.518 -24.213 6.608 204 HD3 PRO 22 2HD PRO 22 -26.022 -23.678 8.226 205 HA PRO 23 HA PRO 23 -22.722 -29.364 5.258 206 HB2 PRO 23 1HB PRO 23 -23.744 -31.858 5.664 207 HB3 PRO 23 2HB PRO 23 -22.496 -31.140 6.689 208 HG2 PRO 23 1HG PRO 23 -25.446 -31.335 7.148 209 HG3 PRO 23 2HG PRO 23 -24.115 -31.596 8.290 210 HD2 PRO 23 1HD PRO 23 -25.544 -29.303 8.230 211 HD3 PRO 23 2HD PRO 23 -23.821 -29.337 8.657 212 H VAL 24 H VAL 24 -24.039 -28.094 3.694 213 HA VAL 24 HA VAL 24 -25.972 -29.841 2.314 214 HB VAL 24 HB VAL 24 -27.077 -27.753 1.462 215 HG11 VAL 24 1HG1 VAL 24 -28.434 -28.667 3.021 216 HG12 VAL 24 2HG1 VAL 24 -27.986 -27.223 3.931 217 HG13 VAL 24 3HG1 VAL 24 -27.161 -28.751 4.240 218 HG21 VAL 24 3HG2 VAL 24 -25.351 -26.463 3.570 219 HG22 VAL 24 1HG2 VAL 24 -26.761 -25.696 2.843 220 HG23 VAL 24 2HG2 VAL 24 -25.372 -26.115 1.842 221 H GLU 25 H GLU 25 -23.605 -27.207 1.907 222 HA GLU 25 HA GLU 25 -22.863 -28.355 -0.673 223 HB2 GLU 25 1HB GLU 25 -24.535 -26.407 -0.911 224 HB3 GLU 25 2HB GLU 25 -23.209 -25.377 -0.391 225 HG2 GLU 25 1HG GLU 25 -21.935 -25.860 -2.299 226 HG3 GLU 25 2HG GLU 25 -22.933 -27.250 -2.716 227 H ASN 26 H ASN 26 -20.713 -28.108 -1.218 228 HA ASN 26 HA ASN 26 -18.958 -27.302 0.953 229 HB2 ASN 26 1HB ASN 26 -18.805 -29.119 -1.302 230 HB3 ASN 26 2HB ASN 26 -17.388 -28.076 -1.244 231 HD21 ASN 26 2HD2 ASN 26 -19.439 -29.931 0.990 232 HD22 ASN 26 1HD2 ASN 26 -18.133 -30.582 1.911 233 H PHE 27 H PHE 27 -16.710 -26.390 -0.226 234 HA PHE 27 HA PHE 27 -15.666 -24.550 -1.052 235 HB2 PHE 27 1HB PHE 27 -18.136 -24.361 -2.792 236 HB3 PHE 27 2HB PHE 27 -16.693 -23.380 -3.002 237 HD1 PHE 27 HD1 PHE 27 -17.829 -26.924 -2.900 238 HD2 PHE 27 HD2 PHE 27 -14.980 -24.124 -4.366 239 HE1 PHE 27 HE1 PHE 27 -16.856 -28.671 -4.331 240 HE2 PHE 27 HE2 PHE 27 -14.003 -25.864 -5.801 241 HZ PHE 27 HZ PHE 27 -14.940 -28.142 -5.785 242 HA PRO 28 HA PRO 28 -18.082 -21.849 1.805 243 HB2 PRO 28 1HB PRO 28 -15.993 -21.173 3.381 244 HB3 PRO 28 2HB PRO 28 -16.892 -22.679 3.592 245 HG2 PRO 28 1HG PRO 28 -14.273 -22.215 2.217 246 HG3 PRO 28 2HG PRO 28 -14.738 -23.519 3.325 247 HD2 PRO 28 1HD PRO 28 -14.687 -23.821 0.626 248 HD3 PRO 28 2HD PRO 28 -15.809 -24.709 1.677 249 H VAL 29 H VAL 29 -17.943 -19.562 2.200 250 HA VAL 29 HA VAL 29 -16.629 -18.135 0.025 251 HB VAL 29 HB VAL 29 -18.535 -17.040 2.101 252 HG11 VAL 29 1HG1 VAL 29 -18.901 -15.445 0.023 253 HG12 VAL 29 2HG1 VAL 29 -17.247 -15.933 -0.335 254 HG13 VAL 29 3HG1 VAL 29 -17.622 -15.153 1.201 255 HG21 VAL 29 3HG2 VAL 29 -19.011 -18.592 -0.363 256 HG22 VAL 29 1HG2 VAL 29 -20.014 -17.159 -0.145 257 HG23 VAL 29 2HG2 VAL 29 -20.005 -18.422 1.085 258 H ARG 30 H ARG 30 -15.282 -16.329 0.333 259 HA ARG 30 HA ARG 30 -14.114 -16.063 3.021 260 HB2 ARG 30 1HB ARG 30 -11.922 -15.613 1.849 261 HB3 ARG 30 2HB ARG 30 -12.494 -17.273 1.773 262 HG2 ARG 30 1HG ARG 30 -13.351 -16.839 -0.499 263 HG3 ARG 30 2HG ARG 30 -12.683 -15.209 -0.412 264 HD2 ARG 30 1HD ARG 30 -10.964 -16.262 -1.470 265 HD3 ARG 30 2HD ARG 30 -10.480 -16.536 0.203 266 HE ARG 30 HE ARG 30 -11.954 -18.718 -0.323 267 HH11 ARG 30 1HH1 ARG 30 -9.350 -17.196 -2.108 268 HH12 ARG 30 2HH1 ARG 30 -8.792 -18.681 -2.801 269 HH21 ARG 30 1HH2 ARG 30 -11.209 -20.673 -1.237 270 HH22 ARG 30 2HH2 ARG 30 -9.846 -20.655 -2.305 271 H GLN 31 H GLN 31 -13.236 -14.012 3.548 272 HA GLN 31 HA GLN 31 -14.389 -11.809 1.973 273 HB2 GLN 31 1HB GLN 31 -14.689 -12.408 4.664 274 HB3 GLN 31 2HB GLN 31 -13.482 -11.130 4.662 275 HG2 GLN 31 1HG GLN 31 -14.957 -9.563 4.063 276 HG3 GLN 31 2HG GLN 31 -15.779 -10.625 2.923 277 HE21 GLN 31 2HE2 GLN 31 -16.729 -8.743 5.056 278 HE22 GLN 31 1HE2 GLN 31 -17.820 -9.685 6.009 279 H TRP 32 H TRP 32 -13.129 -9.860 1.747 280 HA TRP 32 HA TRP 32 -10.309 -9.978 2.415 281 HB2 TRP 32 1HB TRP 32 -9.620 -9.573 0.029 282 HB3 TRP 32 2HB TRP 32 -10.217 -11.193 0.359 283 HD1 TRP 32 HD1 TRP 32 -12.877 -11.622 -0.423 284 HE1 TRP 32 HE1 TRP 32 -14.081 -10.746 -2.520 285 HE3 TRP 32 HE3 TRP 32 -9.755 -7.746 -1.588 286 HZ2 TRP 32 HZ2 TRP 32 -13.748 -8.685 -4.422 287 HZ3 TRP 32 HZ3 TRP 32 -10.267 -6.371 -3.563 288 HH2 TRP 32 HH2 TRP 32 -12.224 -6.833 -4.950 289 H SER 33 H SER 33 -9.396 -8.022 2.648 290 HA SER 33 HA SER 33 -10.743 -5.659 1.570 291 HB2 SER 33 1HB SER 33 -11.605 -6.070 3.892 292 HB3 SER 33 2HB SER 33 -9.957 -5.876 4.486 293 HG SER 33 HG SER 33 -9.977 -3.753 3.717 294 H ILE 34 H ILE 34 -9.253 -4.533 0.506 295 HA ILE 34 HA ILE 34 -6.535 -4.377 1.627 296 HB ILE 34 HB ILE 34 -6.523 -5.898 -0.299 297 HG12 ILE 34 1HG1 ILE 34 -4.772 -4.726 -1.635 298 HG13 ILE 34 2HG1 ILE 34 -5.182 -3.231 -0.805 299 HG21 ILE 34 1HG2 ILE 34 -8.106 -3.754 -1.500 300 HG22 ILE 34 2HG2 ILE 34 -8.043 -5.473 -1.884 301 HG23 ILE 34 3HG2 ILE 34 -6.830 -4.376 -2.545 302 HD11 ILE 34 3HD1 ILE 34 -3.314 -5.159 -0.035 303 HD12 ILE 34 1HD1 ILE 34 -4.648 -5.297 1.109 304 HD13 ILE 34 2HD1 ILE 34 -3.843 -3.745 0.876 305 H GLU 35 H GLU 35 -5.467 -2.413 1.432 306 HA GLU 35 HA GLU 35 -6.597 -0.239 -0.088 307 HB2 GLU 35 1HB GLU 35 -7.049 1.233 1.786 308 HB3 GLU 35 2HB GLU 35 -8.015 -0.227 1.933 309 HG2 GLU 35 1HG GLU 35 -7.268 -0.405 4.007 310 HG3 GLU 35 2HG GLU 35 -5.690 -0.799 3.332 311 H ILE 36 H ILE 36 -5.236 1.639 -0.122 312 HA ILE 36 HA ILE 36 -2.657 1.466 1.214 313 HB ILE 36 HB ILE 36 -2.265 0.219 -0.852 314 HG12 ILE 36 1HG1 ILE 36 -0.983 2.948 -1.087 315 HG13 ILE 36 2HG1 ILE 36 -0.517 1.765 0.131 316 HG21 ILE 36 1HG2 ILE 36 -2.633 1.056 -3.008 317 HG22 ILE 36 2HG2 ILE 36 -2.872 2.702 -2.421 318 HG23 ILE 36 3HG2 ILE 36 -4.094 1.471 -2.111 319 HD11 ILE 36 3HD1 ILE 36 -0.534 0.706 -2.585 320 HD12 ILE 36 1HD1 ILE 36 0.692 0.586 -1.324 321 HD13 ILE 36 2HD1 ILE 36 0.605 2.027 -2.334 322 H VAL 37 H VAL 37 -2.092 3.412 1.920 323 HA VAL 37 HA VAL 37 -3.047 5.783 0.462 324 HB VAL 37 HB VAL 37 -3.358 6.953 2.618 325 HG11 VAL 37 1HG1 VAL 37 -4.976 4.642 1.744 326 HG12 VAL 37 2HG1 VAL 37 -5.423 6.338 1.934 327 HG13 VAL 37 3HG1 VAL 37 -5.338 5.287 3.346 328 HG21 VAL 37 3HG2 VAL 37 -2.099 5.935 4.243 329 HG22 VAL 37 1HG2 VAL 37 -2.501 4.311 3.693 330 HG23 VAL 37 2HG2 VAL 37 -3.683 5.248 4.602 331 H LEU 38 H LEU 38 -1.464 7.101 -0.130 332 HA LEU 38 HA LEU 38 0.955 7.297 1.519 333 HB2 LEU 38 1HB LEU 38 1.505 5.710 -0.215 334 HB3 LEU 38 2HB LEU 38 0.870 6.775 -1.452 335 HG LEU 38 HG LEU 38 2.956 8.102 0.046 336 HD11 LEU 38 1HD1 LEU 38 4.181 5.946 -1.524 337 HD12 LEU 38 2HD1 LEU 38 3.451 5.440 -0.001 338 HD13 LEU 38 3HD1 LEU 38 4.696 6.689 -0.011 339 HD21 LEU 38 3HD2 LEU 38 3.058 7.257 -2.828 340 HD22 LEU 38 1HD2 LEU 38 3.704 8.712 -2.072 341 HD23 LEU 38 2HD2 LEU 38 1.965 8.531 -2.288 342 H LEU 39 H LEU 39 1.920 9.305 1.538 343 HA LEU 39 HA LEU 39 0.296 11.509 0.625 344 HB2 LEU 39 1HB LEU 39 2.855 11.313 2.196 345 HB3 LEU 39 2HB LEU 39 2.238 12.857 1.649 346 HG LEU 39 HG LEU 39 1.653 12.375 3.993 347 HD11 LEU 39 1HD1 LEU 39 -0.686 12.966 3.846 348 HD12 LEU 39 2HD1 LEU 39 -0.744 12.431 2.168 349 HD13 LEU 39 3HD1 LEU 39 0.232 13.828 2.614 350 HD21 LEU 39 3HD2 LEU 39 0.302 10.600 4.659 351 HD22 LEU 39 1HD2 LEU 39 1.420 9.861 3.514 352 HD23 LEU 39 2HD2 LEU 39 -0.224 10.255 3.011 353 H ASP 40 H ASP 40 1.362 13.410 -0.489 354 HA ASP 40 HA ASP 40 3.591 12.769 -2.209 355 HB2 ASP 40 1HB ASP 40 0.998 12.287 -3.168 356 HB3 ASP 40 2HB ASP 40 1.519 13.788 -3.934 357 H ASP 41 H ASP 41 0.898 15.138 -2.221 358 HA ASP 41 HA ASP 41 2.555 17.323 -2.907 359 HB2 ASP 41 1HB ASP 41 -0.160 17.327 -1.570 360 HB3 ASP 41 2HB ASP 41 0.630 18.742 -2.257 361 H GLU 42 H GLU 42 1.948 15.753 0.093 362 HA GLU 42 HA GLU 42 2.787 17.993 1.722 363 HB2 GLU 42 1HB GLU 42 1.135 15.926 2.236 364 HB3 GLU 42 2HB GLU 42 2.633 15.274 2.889 365 HG2 GLU 42 1HG GLU 42 2.625 17.782 3.937 366 HG3 GLU 42 2HG GLU 42 0.904 17.409 3.894 367 H GLY 43 H GLY 43 4.133 15.060 0.361 368 HA2 GLY 43 1HA GLY 43 6.670 15.555 1.761 369 HA3 GLY 43 2HA GLY 43 6.194 14.028 1.041 370 H LYS 44 H LYS 44 5.999 17.260 -0.398 371 HA LYS 44 HA LYS 44 6.935 18.170 -2.246 372 HB2 LYS 44 1HB LYS 44 9.055 16.665 -0.995 373 HB3 LYS 44 2HB LYS 44 9.239 16.643 -2.741 374 HG2 LYS 44 1HG LYS 44 9.284 19.027 -2.838 375 HG3 LYS 44 2HG LYS 44 8.855 19.152 -1.131 376 HD2 LYS 44 1HD LYS 44 10.957 18.419 -0.428 377 HD3 LYS 44 2HD LYS 44 11.339 17.712 -2.000 378 HE2 LYS 44 1HE LYS 44 12.339 19.595 -2.619 379 HE3 LYS 44 2HE LYS 44 10.837 20.484 -2.374 380 HZ1 LYS 44 3HZ LYS 44 12.719 21.357 -1.070 381 HZ2 LYS 44 1HZ LYS 44 12.801 19.894 -0.224 382 HZ3 LYS 44 2HZ LYS 44 11.425 20.870 -0.098 383 H GLU 45 H GLU 45 5.463 17.634 -3.776 384 HA GLU 45 HA GLU 45 5.215 15.046 -4.923 385 HB2 GLU 45 1HB GLU 45 3.790 16.202 -6.622 386 HB3 GLU 45 2HB GLU 45 3.306 16.491 -4.957 387 HG2 GLU 45 1HG GLU 45 5.174 18.485 -5.993 388 HG3 GLU 45 2HG GLU 45 3.656 18.406 -6.885 389 H ILE 46 H ILE 46 7.516 17.500 -5.411 390 HA ILE 46 HA ILE 46 8.035 16.960 -8.195 391 HB ILE 46 HB ILE 46 9.796 18.461 -6.256 392 HG12 ILE 46 1HG1 ILE 46 8.468 20.345 -7.798 393 HG13 ILE 46 2HG1 ILE 46 7.207 19.180 -7.413 394 HG21 ILE 46 1HG2 ILE 46 10.766 19.478 -8.180 395 HG22 ILE 46 2HG2 ILE 46 9.566 18.745 -9.244 396 HG23 ILE 46 3HG2 ILE 46 10.768 17.735 -8.439 397 HD11 ILE 46 3HD1 ILE 46 7.749 21.236 -5.850 398 HD12 ILE 46 1HD1 ILE 46 8.941 20.111 -5.198 399 HD13 ILE 46 2HD1 ILE 46 7.230 19.680 -5.199 400 HA PRO 47 HA PRO 47 10.759 13.525 -7.388 401 HB2 PRO 47 1HB PRO 47 11.732 13.188 -9.873 402 HB3 PRO 47 2HB PRO 47 10.056 12.796 -9.471 403 HG2 PRO 47 1HG PRO 47 11.163 15.240 -10.803 404 HG3 PRO 47 2HG PRO 47 9.731 14.286 -11.232 405 HD2 PRO 47 1HD PRO 47 9.611 16.617 -9.823 406 HD3 PRO 47 2HD PRO 47 8.422 15.313 -9.650 407 H ALA 48 H ALA 48 13.138 12.951 -8.310 408 HA ALA 48 HA ALA 48 14.924 15.179 -8.554 409 HB1 ALA 48 3HB ALA 48 16.202 14.621 -6.452 410 HB2 ALA 48 1HB ALA 48 14.799 13.680 -5.948 411 HB3 ALA 48 2HB ALA 48 14.647 15.415 -6.213 412 H THR 49 H THR 49 15.080 11.858 -7.230 413 HA THR 49 HA THR 49 17.060 11.224 -9.322 414 HB THR 49 HB THR 49 16.836 9.927 -6.595 415 HG1 THR 49 HG1 THR 49 18.544 11.978 -7.541 416 HG21 THR 49 3HG2 THR 49 19.000 9.758 -8.676 417 HG22 THR 49 1HG2 THR 49 17.891 8.468 -8.214 418 HG23 THR 49 2HG2 THR 49 19.074 9.072 -7.053 419 H ILE 50 H ILE 50 14.563 9.758 -7.240 420 HA ILE 50 HA ILE 50 13.757 8.109 -9.526 421 HB ILE 50 HB ILE 50 13.164 6.381 -7.557 422 HG12 ILE 50 1HG1 ILE 50 15.910 7.161 -6.686 423 HG13 ILE 50 2HG1 ILE 50 14.555 8.084 -6.046 424 HG21 ILE 50 1HG2 ILE 50 14.232 5.397 -9.283 425 HG22 ILE 50 2HG2 ILE 50 15.596 5.446 -8.165 426 HG23 ILE 50 3HG2 ILE 50 15.436 6.679 -9.416 427 HD11 ILE 50 3HD1 ILE 50 15.463 6.010 -4.769 428 HD12 ILE 50 1HD1 ILE 50 14.476 5.113 -5.922 429 HD13 ILE 50 2HD1 ILE 50 13.728 6.306 -4.862 430 H PHE 51 H PHE 51 12.548 8.070 -6.179 431 HA PHE 51 HA PHE 51 10.485 8.409 -5.322 432 HB2 PHE 51 1HB PHE 51 10.900 10.699 -5.433 433 HB3 PHE 51 2HB PHE 51 10.851 10.725 -7.187 434 HD1 PHE 51 HD2 PHE 51 8.375 9.396 -4.731 435 HD2 PHE 51 HD1 PHE 51 9.228 12.278 -7.743 436 HE1 PHE 51 HE2 PHE 51 6.042 10.180 -4.639 437 HE2 PHE 51 HE1 PHE 51 6.902 13.066 -7.651 438 HZ PHE 51 HZ PHE 51 5.308 12.015 -6.103 439 H ASP 52 H ASP 52 9.386 6.586 -5.883 440 HA ASP 52 HA ASP 52 7.149 6.828 -7.599 441 HB2 ASP 52 1HB ASP 52 9.181 6.387 -9.187 442 HB3 ASP 52 2HB ASP 52 9.072 4.737 -8.585 443 H LYS 53 H LYS 53 5.642 5.197 -7.203 444 HA LYS 53 HA LYS 53 6.508 2.949 -5.528 445 HB2 LYS 53 1HB LYS 53 4.076 4.618 -4.881 446 HB3 LYS 53 2HB LYS 53 4.716 3.269 -3.956 447 HG2 LYS 53 1HG LYS 53 5.632 4.878 -2.705 448 HG3 LYS 53 2HG LYS 53 6.858 4.908 -3.974 449 HD2 LYS 53 1HD LYS 53 4.851 6.551 -4.946 450 HD3 LYS 53 2HD LYS 53 4.908 6.925 -3.223 451 HE2 LYS 53 1HE LYS 53 7.476 6.728 -4.700 452 HE3 LYS 53 2HE LYS 53 6.468 8.145 -4.981 453 HZ1 LYS 53 3HZ LYS 53 8.253 7.976 -3.025 454 HZ2 LYS 53 1HZ LYS 53 6.888 7.415 -2.197 455 HZ3 LYS 53 2HZ LYS 53 6.870 8.940 -2.929 456 H VAL 54 H VAL 54 5.555 1.058 -5.993 457 HA VAL 54 HA VAL 54 3.280 1.095 -7.875 458 HB VAL 54 HB VAL 54 5.359 -1.090 -7.688 459 HG11 VAL 54 1HG1 VAL 54 2.944 -0.620 -9.358 460 HG12 VAL 54 2HG1 VAL 54 3.547 -2.109 -8.636 461 HG13 VAL 54 3HG1 VAL 54 4.322 -1.452 -10.076 462 HG21 VAL 54 3HG2 VAL 54 6.409 -0.223 -9.638 463 HG22 VAL 54 1HG2 VAL 54 6.280 1.107 -8.487 464 HG23 VAL 54 2HG2 VAL 54 5.158 1.001 -9.842 465 H ILE 55 H ILE 55 1.618 -0.383 -7.557 466 HA ILE 55 HA ILE 55 1.669 -1.839 -4.996 467 HB ILE 55 HB ILE 55 -0.898 -0.795 -6.119 468 HG12 ILE 55 1HG1 ILE 55 0.772 0.796 -4.172 469 HG13 ILE 55 2HG1 ILE 55 0.808 1.100 -5.905 470 HG21 ILE 55 1HG2 ILE 55 0.099 -1.566 -3.393 471 HG22 ILE 55 2HG2 ILE 55 -1.157 -2.341 -4.357 472 HG23 ILE 55 3HG2 ILE 55 -1.440 -0.749 -3.655 473 HD11 ILE 55 3HD1 ILE 55 -0.938 2.190 -4.045 474 HD12 ILE 55 1HD1 ILE 55 -1.902 1.012 -4.934 475 HD13 ILE 55 2HD1 ILE 55 -1.054 2.291 -5.801 476 H TYR 56 H TYR 56 1.038 -3.902 -5.000 477 HA TYR 56 HA TYR 56 -0.392 -4.972 -7.327 478 HB2 TYR 56 1HB TYR 56 2.197 -5.986 -6.166 479 HB3 TYR 56 2HB TYR 56 1.109 -7.054 -7.046 480 HD1 TYR 56 HD1 TYR 56 0.446 -6.330 -9.434 481 HD2 TYR 56 HD2 TYR 56 3.762 -4.702 -7.324 482 HE1 TYR 56 HE1 TYR 56 1.427 -5.588 -11.562 483 HE2 TYR 56 HE2 TYR 56 4.750 -3.955 -9.447 484 HH TYR 56 HH TYR 56 3.227 -3.536 -12.143 485 H HIS 57 H HIS 57 -1.973 -6.398 -6.809 486 HA HIS 57 HA HIS 57 -1.960 -7.807 -4.295 487 HB2 HIS 57 1HB HIS 57 -4.057 -6.842 -3.454 488 HB3 HIS 57 2HB HIS 57 -2.797 -5.625 -3.571 489 HD1 HIS 57 HD1 HIS 57 -2.983 -4.425 -6.213 490 HD2 HIS 57 HD2 HIS 57 -6.390 -5.788 -4.266 491 HE1 HIS 57 HE1 HIS 57 -4.899 -3.201 -7.282 492 HE2 HIS 57 HE2 HIS 57 -6.947 -4.000 -6.048 493 H LEU 58 H LEU 58 -2.952 -9.705 -4.495 494 HA LEU 58 HA LEU 58 -4.309 -11.364 -5.244 495 HB2 LEU 58 1HB LEU 58 -5.760 -9.410 -7.015 496 HB3 LEU 58 2HB LEU 58 -6.354 -10.916 -6.349 497 HG LEU 58 HG LEU 58 -5.619 -8.754 -4.435 498 HD11 LEU 58 1HD1 LEU 58 -7.439 -7.423 -4.800 499 HD12 LEU 58 2HD1 LEU 58 -8.360 -8.702 -5.589 500 HD13 LEU 58 3HD1 LEU 58 -7.060 -7.889 -6.459 501 HD21 LEU 58 3HD2 LEU 58 -6.353 -10.971 -3.663 502 HD22 LEU 58 1HD2 LEU 58 -7.883 -10.744 -4.513 503 HD23 LEU 58 2HD2 LEU 58 -7.456 -9.687 -3.168 504 H HIS 59 H HIS 59 -5.183 -12.207 -7.584 505 HA HIS 59 HA HIS 59 -2.909 -12.875 -9.024 506 HB2 HIS 59 1HB HIS 59 -4.417 -13.775 -10.728 507 HB3 HIS 59 2HB HIS 59 -4.974 -14.183 -9.115 508 HD1 HIS 59 HD1 HIS 59 -6.093 -10.920 -9.202 509 HD2 HIS 59 HD2 HIS 59 -7.233 -14.294 -11.342 510 HE1 HIS 59 HE1 HIS 59 -8.423 -10.451 -9.995 511 HE2 HIS 59 HE2 HIS 59 -9.062 -12.465 -11.369 512 HA PRO 60 HA PRO 60 -2.024 -9.305 -11.518 513 HB2 PRO 60 1HB PRO 60 -0.812 -11.180 -13.437 514 HB3 PRO 60 2HB PRO 60 -0.070 -9.869 -12.517 515 HG2 PRO 60 1HG PRO 60 0.406 -12.441 -11.926 516 HG3 PRO 60 2HG PRO 60 0.298 -11.202 -10.661 517 HD2 PRO 60 1HD PRO 60 -1.756 -13.210 -11.529 518 HD3 PRO 60 2HD PRO 60 -1.302 -12.703 -9.889 519 H THR 61 H THR 61 -4.064 -11.843 -12.469 520 HA THR 61 HA THR 61 -4.521 -11.320 -15.178 521 HB THR 61 HB THR 61 -6.811 -12.153 -13.468 522 HG1 THR 61 HG1 THR 61 -5.875 -14.175 -13.120 523 HG21 THR 61 3HG2 THR 61 -7.094 -13.870 -15.136 524 HG22 THR 61 1HG2 THR 61 -5.584 -13.398 -15.915 525 HG23 THR 61 2HG2 THR 61 -6.957 -12.292 -15.911 526 H PHE 62 H PHE 62 -5.101 -9.287 -12.551 527 HA PHE 62 HA PHE 62 -7.525 -8.058 -13.066 528 HB2 PHE 62 1HB PHE 62 -5.426 -7.644 -11.340 529 HB3 PHE 62 2HB PHE 62 -5.362 -6.202 -12.344 530 HD1 PHE 62 HD2 PHE 62 -7.502 -4.827 -12.576 531 HD2 PHE 62 HD1 PHE 62 -6.958 -7.820 -9.599 532 HE1 PHE 62 HE2 PHE 62 -9.308 -3.825 -11.243 533 HE2 PHE 62 HE1 PHE 62 -8.764 -6.821 -8.260 534 HZ PHE 62 HZ PHE 62 -9.941 -4.821 -9.081 535 H ALA 63 H ALA 63 -8.098 -6.146 -14.207 536 HA ALA 63 HA ALA 63 -7.377 -5.997 -16.850 537 HB1 ALA 63 3HB ALA 63 -8.188 -3.496 -15.433 538 HB2 ALA 63 1HB ALA 63 -9.309 -4.854 -15.539 539 HB3 ALA 63 2HB ALA 63 -8.688 -4.107 -17.012 540 H ASN 64 H ASN 64 -6.084 -3.998 -14.183 541 HA ASN 64 HA ASN 64 -3.561 -3.771 -15.543 542 HB2 ASN 64 1HB ASN 64 -3.539 -1.270 -15.520 543 HB3 ASN 64 2HB ASN 64 -4.667 -1.963 -16.682 544 HD21 ASN 64 2HD2 ASN 64 -6.723 -1.311 -16.624 545 HD22 ASN 64 1HD2 ASN 64 -7.433 -0.369 -15.361 546 HA PRO 65 HA PRO 65 -2.169 -3.887 -11.347 547 HB2 PRO 65 1HB PRO 65 0.181 -2.403 -12.398 548 HB3 PRO 65 2HB PRO 65 0.119 -3.933 -11.516 549 HG2 PRO 65 1HG PRO 65 0.625 -3.890 -14.130 550 HG3 PRO 65 2HG PRO 65 -0.394 -5.159 -13.424 551 HD2 PRO 65 1HD PRO 65 -1.189 -2.719 -14.963 552 HD3 PRO 65 2HD PRO 65 -1.854 -4.364 -15.038 553 H ASN 66 H ASN 66 -1.273 -2.407 -9.642 554 HA ASN 66 HA ASN 66 -2.503 0.243 -9.919 555 HB2 ASN 66 1HB ASN 66 -1.995 -1.580 -7.606 556 HB3 ASN 66 2HB ASN 66 -2.080 0.152 -7.308 557 HD21 ASN 66 2HD2 ASN 66 -3.975 -0.005 -6.118 558 HD22 ASN 66 1HD2 ASN 66 -5.499 -0.364 -6.845 559 H ARG 67 H ARG 67 -1.445 2.127 -9.173 560 HA ARG 67 HA ARG 67 1.419 1.974 -8.619 561 HB2 ARG 67 1HB ARG 67 0.325 3.729 -10.829 562 HB3 ARG 67 2HB ARG 67 2.006 3.583 -10.340 563 HG2 ARG 67 1HG ARG 67 0.379 1.334 -11.506 564 HG3 ARG 67 2HG ARG 67 1.438 2.390 -12.439 565 HD2 ARG 67 1HD ARG 67 2.721 1.217 -10.089 566 HD3 ARG 67 2HD ARG 67 2.170 0.023 -11.262 567 HE ARG 67 HE ARG 67 4.340 1.879 -11.563 568 HH11 ARG 67 1HH1 ARG 67 1.975 -0.038 -13.297 569 HH12 ARG 67 2HH1 ARG 67 2.935 -0.151 -14.732 570 HH21 ARG 67 1HH2 ARG 67 5.603 1.729 -13.460 571 HH22 ARG 67 2HH2 ARG 67 4.995 0.853 -14.825 572 H THR 68 H THR 68 2.297 3.961 -7.757 573 HA THR 68 HA THR 68 0.297 5.926 -6.882 574 HB THR 68 HB THR 68 2.367 4.647 -5.089 575 HG1 THR 68 HG1 THR 68 0.769 3.528 -4.252 576 HG21 THR 68 3HG2 THR 68 1.572 5.940 -3.300 577 HG22 THR 68 1HG2 THR 68 0.221 6.562 -4.247 578 HG23 THR 68 2HG2 THR 68 1.868 7.073 -4.618 579 H PHE 69 H PHE 69 0.911 7.795 -7.709 580 HA PHE 69 HA PHE 69 3.583 8.797 -7.235 581 HB2 PHE 69 1HB PHE 69 3.485 7.514 -9.510 582 HB3 PHE 69 2HB PHE 69 2.625 8.939 -10.074 583 HD1 PHE 69 HD2 PHE 69 3.883 11.225 -9.227 584 HD2 PHE 69 HD1 PHE 69 5.707 7.459 -10.008 585 HE1 PHE 69 HE2 PHE 69 6.031 12.352 -9.626 586 HE2 PHE 69 HE1 PHE 69 7.858 8.582 -10.409 587 HZ PHE 69 HZ PHE 69 8.022 11.030 -10.219 588 H THR 70 H THR 70 0.541 9.416 -8.997 589 HA THR 70 HA THR 70 0.316 11.984 -7.624 590 HB THR 70 HB THR 70 -0.151 13.212 -9.681 591 HG1 THR 70 HG1 THR 70 0.366 10.732 -10.951 592 HG21 THR 70 3HG2 THR 70 2.395 11.810 -10.330 593 HG22 THR 70 1HG2 THR 70 2.278 12.810 -8.883 594 HG23 THR 70 2HG2 THR 70 1.982 13.518 -10.472 595 H ASP 71 H ASP 71 -1.083 9.411 -7.457 596 HA ASP 71 HA ASP 71 -3.788 10.305 -8.199 597 HB2 ASP 71 1HB ASP 71 -2.411 7.866 -8.878 598 HB3 ASP 71 2HB ASP 71 -3.838 7.500 -7.914 599 HA PRO 72 HA PRO 72 -4.976 10.066 -3.961 600 HB2 PRO 72 1HB PRO 72 -7.487 8.765 -4.843 601 HB3 PRO 72 2HB PRO 72 -7.252 10.277 -3.960 602 HG2 PRO 72 1HG PRO 72 -7.992 10.277 -6.526 603 HG3 PRO 72 2HG PRO 72 -6.877 11.500 -5.888 604 HD2 PRO 72 1HD PRO 72 -6.283 9.066 -7.530 605 HD3 PRO 72 2HD PRO 72 -5.579 10.693 -7.625 606 HA PRO 73 HA PRO 73 -4.306 6.051 -2.235 607 HB2 PRO 73 1HB PRO 73 -6.606 6.430 -0.414 608 HB3 PRO 73 2HB PRO 73 -4.899 6.187 -0.034 609 HG2 PRO 73 1HG PRO 73 -6.061 8.569 0.285 610 HG3 PRO 73 2HG PRO 73 -4.388 8.431 -0.287 611 HD2 PRO 73 1HD PRO 73 -6.888 8.982 -1.844 612 HD3 PRO 73 2HD PRO 73 -5.276 9.710 -2.006 613 H PHE 74 H PHE 74 -5.747 4.076 -1.274 614 HA PHE 74 HA PHE 74 -8.073 3.615 -2.984 615 HB2 PHE 74 1HB PHE 74 -5.457 2.302 -3.274 616 HB3 PHE 74 2HB PHE 74 -6.823 1.196 -3.212 617 HD1 PHE 74 HD2 PHE 74 -8.579 1.294 -4.922 618 HD2 PHE 74 HD1 PHE 74 -5.110 3.750 -5.141 619 HE1 PHE 74 HE2 PHE 74 -9.059 1.754 -7.289 620 HE2 PHE 74 HE1 PHE 74 -5.584 4.216 -7.508 621 HZ PHE 74 HZ PHE 74 -7.561 3.217 -8.586 622 H ARG 75 H ARG 75 -9.289 1.669 -2.402 623 HA ARG 75 HA ARG 75 -8.789 0.220 -0.020 624 HB2 ARG 75 1HB ARG 75 -9.505 2.583 0.779 625 HB3 ARG 75 2HB ARG 75 -11.116 2.105 0.261 626 HG2 ARG 75 1HG ARG 75 -11.434 1.027 2.164 627 HG3 ARG 75 2HG ARG 75 -10.025 0.013 1.850 628 HD2 ARG 75 1HD ARG 75 -8.838 1.068 3.408 629 HD3 ARG 75 2HD ARG 75 -9.203 2.637 2.696 630 HE ARG 75 HE ARG 75 -11.365 1.558 4.247 631 HH11 ARG 75 1HH1 ARG 75 -8.374 3.382 4.410 632 HH12 ARG 75 2HH1 ARG 75 -8.813 4.203 5.870 633 HH21 ARG 75 1HH2 ARG 75 -11.929 2.639 6.175 634 HH22 ARG 75 2HH2 ARG 75 -10.828 3.779 6.871 635 H ILE 76 H ILE 76 -9.331 -1.573 -1.226 636 HA ILE 76 HA ILE 76 -12.107 -1.734 -2.199 637 HB ILE 76 HB ILE 76 -9.820 -3.502 -3.071 638 HG12 ILE 76 1HG1 ILE 76 -10.360 -1.955 -5.244 639 HG13 ILE 76 2HG1 ILE 76 -10.617 -0.792 -3.949 640 HG21 ILE 76 1HG2 ILE 76 -11.614 -4.693 -3.748 641 HG22 ILE 76 2HG2 ILE 76 -11.610 -3.543 -5.083 642 HG23 ILE 76 3HG2 ILE 76 -12.691 -3.298 -3.713 643 HD11 ILE 76 3HD1 ILE 76 -8.433 -0.443 -3.975 644 HD12 ILE 76 1HD1 ILE 76 -8.159 -1.826 -5.035 645 HD13 ILE 76 2HD1 ILE 76 -8.237 -2.055 -3.288 646 H GLU 77 H GLU 77 -13.364 -2.765 -0.773 647 HA GLU 77 HA GLU 77 -12.345 -5.253 0.408 648 HB2 GLU 77 1HB GLU 77 -13.397 -4.724 2.537 649 HB3 GLU 77 2HB GLU 77 -12.236 -3.481 2.100 650 HG2 GLU 77 1HG GLU 77 -14.555 -2.466 1.071 651 HG3 GLU 77 2HG GLU 77 -15.124 -3.299 2.515 652 H GLU 78 H GLU 78 -13.610 -6.946 0.015 653 HA GLU 78 HA GLU 78 -16.495 -6.664 -0.091 654 HB2 GLU 78 1HB GLU 78 -15.263 -6.265 -2.437 655 HB3 GLU 78 2HB GLU 78 -15.349 -8.020 -2.475 656 HG2 GLU 78 1HG GLU 78 -17.243 -6.988 -3.612 657 HG3 GLU 78 2HG GLU 78 -17.758 -7.933 -2.218 658 H GLN 79 H GLN 79 -17.564 -8.828 -0.514 659 HA GLN 79 HA GLN 79 -15.979 -10.968 0.746 660 HB2 GLN 79 1HB GLN 79 -17.958 -10.040 2.028 661 HB3 GLN 79 2HB GLN 79 -18.988 -10.714 0.772 662 HG2 GLN 79 1HG GLN 79 -17.769 -12.939 1.323 663 HG3 GLN 79 2HG GLN 79 -17.344 -12.125 2.826 664 HE21 GLN 79 2HE2 GLN 79 -19.033 -11.458 4.230 665 HE22 GLN 79 1HE2 GLN 79 -20.583 -12.217 4.170 666 H GLY 80 H GLY 80 -16.202 -13.099 -0.004 667 HA2 GLY 80 1HA GLY 80 -17.649 -14.472 -1.636 668 HA3 GLY 80 2HA GLY 80 -17.102 -13.279 -2.801 669 H TRP 81 H TRP 81 -15.361 -13.799 -3.942 670 HA TRP 81 HA TRP 81 -13.438 -15.701 -2.775 671 HB2 TRP 81 1HB TRP 81 -14.668 -15.677 -5.518 672 HB3 TRP 81 2HB TRP 81 -13.099 -16.423 -5.242 673 HD1 TRP 81 HD1 TRP 81 -16.557 -16.653 -3.465 674 HE1 TRP 81 HE1 TRP 81 -17.032 -19.137 -2.995 675 HE3 TRP 81 HE3 TRP 81 -12.287 -18.682 -5.418 676 HZ2 TRP 81 HZ2 TRP 81 -15.768 -21.627 -3.400 677 HZ3 TRP 81 HZ3 TRP 81 -12.000 -21.123 -5.335 678 HH2 TRP 81 HH2 TRP 81 -13.706 -22.565 -4.349 679 H GLY 82 H GLY 82 -11.652 -14.582 -2.376 680 HA2 GLY 82 1HA GLY 82 -10.272 -13.256 -4.528 681 HA3 GLY 82 2HA GLY 82 -10.863 -12.145 -3.303 682 H GLY 83 H GLY 83 -8.849 -15.034 -3.775 683 HA2 GLY 83 1HA GLY 83 -7.179 -14.089 -1.531 684 HA3 GLY 83 2HA GLY 83 -7.591 -15.785 -1.711 685 H PHE 84 H PHE 84 -5.386 -13.343 -2.496 686 HA PHE 84 HA PHE 84 -3.689 -15.210 -3.885 687 HB2 PHE 84 1HB PHE 84 -5.125 -13.039 -5.327 688 HB3 PHE 84 2HB PHE 84 -3.434 -13.289 -5.744 689 HD1 PHE 84 HD2 PHE 84 -2.916 -16.001 -5.914 690 HD2 PHE 84 HD1 PHE 84 -6.596 -14.036 -6.755 691 HE1 PHE 84 HE2 PHE 84 -3.563 -17.855 -7.394 692 HE2 PHE 84 HE1 PHE 84 -7.250 -15.886 -8.236 693 HZ PHE 84 HZ PHE 84 -5.734 -17.799 -8.558 694 HA PRO 85 HA PRO 85 -0.417 -12.797 -2.181 695 HB2 PRO 85 1HB PRO 85 1.405 -12.563 -4.189 696 HB3 PRO 85 2HB PRO 85 1.111 -14.060 -3.303 697 HG2 PRO 85 1HG PRO 85 0.063 -13.214 -5.974 698 HG3 PRO 85 2HG PRO 85 0.717 -14.786 -5.478 699 HD2 PRO 85 1HD PRO 85 -1.929 -14.338 -5.662 700 HD3 PRO 85 2HD PRO 85 -1.242 -15.414 -4.429 701 H LEU 86 H LEU 86 0.908 -10.829 -2.314 702 HA LEU 86 HA LEU 86 0.056 -8.764 -4.178 703 HB2 LEU 86 1HB LEU 86 -0.544 -7.190 -2.386 704 HB3 LEU 86 2HB LEU 86 -1.628 -8.565 -2.450 705 HG LEU 86 HG LEU 86 0.613 -8.885 -0.573 706 HD11 LEU 86 1HD1 LEU 86 0.453 -6.745 0.155 707 HD12 LEU 86 2HD1 LEU 86 -0.895 -7.429 1.064 708 HD13 LEU 86 3HD1 LEU 86 -1.197 -6.546 -0.433 709 HD21 LEU 86 3HD2 LEU 86 -2.371 -9.281 -0.471 710 HD22 LEU 86 1HD2 LEU 86 -1.293 -9.606 0.885 711 HD23 LEU 86 2HD2 LEU 86 -1.121 -10.516 -0.616 712 H ASP 87 H ASP 87 1.407 -6.834 -4.045 713 HA ASP 87 HA ASP 87 3.806 -6.991 -2.413 714 HB2 ASP 87 1HB ASP 87 4.364 -8.323 -4.429 715 HB3 ASP 87 2HB ASP 87 3.995 -6.926 -5.435 716 H ILE 88 H ILE 88 4.610 -5.018 -1.917 717 HA ILE 88 HA ILE 88 3.558 -2.704 -3.414 718 HB ILE 88 HB ILE 88 3.627 -1.434 -1.236 719 HG12 ILE 88 1HG1 ILE 88 3.275 -3.938 0.292 720 HG13 ILE 88 2HG1 ILE 88 4.918 -3.622 -0.252 721 HG21 ILE 88 1HG2 ILE 88 1.426 -1.989 -0.685 722 HG22 ILE 88 2HG2 ILE 88 1.646 -3.684 -1.121 723 HG23 ILE 88 3HG2 ILE 88 1.579 -2.450 -2.380 724 HD11 ILE 88 3HD1 ILE 88 3.337 -1.532 1.187 725 HD12 ILE 88 1HD1 ILE 88 5.084 -1.672 0.997 726 HD13 ILE 88 2HD1 ILE 88 4.221 -2.786 2.055 727 H SER 89 H SER 89 4.981 -1.078 -3.878 728 HA SER 89 HA SER 89 7.713 -1.326 -2.805 729 HB2 SER 89 1HB SER 89 8.607 -0.743 -5.035 730 HB3 SER 89 2HB SER 89 7.710 -2.260 -5.063 731 HG SER 89 HG SER 89 5.949 -1.143 -5.942 732 H VAL 90 H VAL 90 8.861 0.586 -2.535 733 HA VAL 90 HA VAL 90 7.445 3.092 -3.092 734 HB VAL 90 HB VAL 90 8.704 2.464 -0.416 735 HG11 VAL 90 1HG1 VAL 90 7.099 4.842 -1.348 736 HG12 VAL 90 2HG1 VAL 90 8.827 4.823 -0.996 737 HG13 VAL 90 3HG1 VAL 90 7.661 4.567 0.301 738 HG21 VAL 90 3HG2 VAL 90 6.361 2.533 0.432 739 HG22 VAL 90 1HG2 VAL 90 6.703 1.162 -0.622 740 HG23 VAL 90 2HG2 VAL 90 5.808 2.549 -1.242 741 H PHE 91 H PHE 91 8.758 4.894 -3.375 742 HA PHE 91 HA PHE 91 11.613 4.746 -2.999 743 HB2 PHE 91 1HB PHE 91 10.434 4.891 -5.784 744 HB3 PHE 91 2HB PHE 91 12.096 5.312 -5.408 745 HD1 PHE 91 HD2 PHE 91 13.695 3.582 -4.730 746 HD2 PHE 91 HD1 PHE 91 9.717 2.610 -5.892 747 HE1 PHE 91 HE2 PHE 91 14.356 1.233 -5.022 748 HE2 PHE 91 HE1 PHE 91 10.372 0.260 -6.187 749 HZ PHE 91 HZ PHE 91 12.696 -0.433 -5.752 750 H LEU 92 H LEU 92 12.573 6.789 -2.972 751 HA LEU 92 HA LEU 92 10.809 9.077 -3.515 752 HB2 LEU 92 1HB LEU 92 10.888 8.395 -1.061 753 HB3 LEU 92 2HB LEU 92 12.558 8.931 -1.070 754 HG LEU 92 HG LEU 92 11.753 11.200 -1.770 755 HD11 LEU 92 1HD1 LEU 92 9.678 11.016 -2.709 756 HD12 LEU 92 2HD1 LEU 92 9.232 11.481 -1.068 757 HD13 LEU 92 3HD1 LEU 92 9.142 9.791 -1.559 758 HD21 LEU 92 3HD2 LEU 92 10.458 11.416 0.593 759 HD22 LEU 92 1HD2 LEU 92 12.211 11.324 0.430 760 HD23 LEU 92 2HD2 LEU 92 11.285 9.874 0.812 761 H LEU 93 H LEU 93 14.148 8.134 -2.669 762 HA LEU 93 HA LEU 93 15.202 9.626 -4.876 763 HB2 LEU 93 1HB LEU 93 15.139 10.814 -2.198 764 HB3 LEU 93 2HB LEU 93 16.748 10.761 -2.894 765 HG LEU 93 HG LEU 93 14.704 11.767 -4.739 766 HD11 LEU 93 1HD1 LEU 93 14.142 12.595 -2.295 767 HD12 LEU 93 2HD1 LEU 93 14.055 13.678 -3.684 768 HD13 LEU 93 3HD1 LEU 93 15.468 13.711 -2.628 769 HD21 LEU 93 3HD2 LEU 93 16.533 12.630 -5.640 770 HD22 LEU 93 1HD2 LEU 93 17.487 11.924 -4.337 771 HD23 LEU 93 2HD2 LEU 93 16.855 13.562 -4.178 772 H GLU 94 H GLU 94 16.310 8.538 -1.657 773 HA GLU 94 HA GLU 94 17.639 6.235 -2.512 774 HB2 GLU 94 1HB GLU 94 19.034 8.181 -3.590 775 HB3 GLU 94 2HB GLU 94 19.671 8.373 -1.963 776 HG2 GLU 94 1HG GLU 94 20.602 6.209 -1.964 777 HG3 GLU 94 2HG GLU 94 19.710 5.747 -3.414 778 H LYS 95 H LYS 95 16.018 6.926 -0.389 779 HA LYS 95 HA LYS 95 17.829 6.826 1.927 780 HB2 LYS 95 1HB LYS 95 15.972 7.739 3.256 781 HB3 LYS 95 2HB LYS 95 16.415 8.809 1.937 782 HG2 LYS 95 1HG LYS 95 14.432 7.279 0.817 783 HG3 LYS 95 2HG LYS 95 13.893 7.463 2.487 784 HD2 LYS 95 1HD LYS 95 14.842 9.819 0.893 785 HD3 LYS 95 2HD LYS 95 13.181 9.240 0.767 786 HE2 LYS 95 1HE LYS 95 12.851 10.695 2.466 787 HE3 LYS 95 2HE LYS 95 13.419 9.338 3.438 788 HZ1 LYS 95 3HZ LYS 95 15.726 10.381 3.039 789 HZ2 LYS 95 1HZ LYS 95 14.699 11.088 4.182 790 HZ3 LYS 95 2HZ LYS 95 14.862 11.782 2.650 791 H ALA 96 H ALA 96 15.942 5.970 3.816 792 HA ALA 96 HA ALA 96 15.915 3.144 3.249 793 HB1 ALA 96 3HB ALA 96 14.855 3.070 5.586 794 HB2 ALA 96 1HB ALA 96 15.224 4.793 5.654 795 HB3 ALA 96 2HB ALA 96 16.524 3.620 5.445 796 H GLY 97 H GLY 97 13.592 5.745 3.214 797 HA2 GLY 97 1HA GLY 97 11.194 4.381 3.542 798 HA3 GLY 97 2HA GLY 97 11.398 5.826 2.564 799 H GLU 98 H GLU 98 13.283 4.580 0.713 800 HA GLU 98 HA GLU 98 11.396 3.462 -1.102 801 HB2 GLU 98 1HB GLU 98 13.314 3.212 -2.626 802 HB3 GLU 98 2HB GLU 98 13.238 4.819 -1.923 803 HG2 GLU 98 1HG GLU 98 15.274 4.629 -1.080 804 HG3 GLU 98 2HG GLU 98 14.881 3.091 -0.315 805 H ARG 99 H ARG 99 10.594 1.631 0.022 806 HA ARG 99 HA ARG 99 12.293 -0.732 -0.287 807 HB2 ARG 99 1HB ARG 99 12.399 0.116 2.097 808 HB3 ARG 99 2HB ARG 99 10.684 -0.250 2.222 809 HG2 ARG 99 1HG ARG 99 11.832 -2.074 3.171 810 HG3 ARG 99 2HG ARG 99 11.257 -2.617 1.594 811 HD2 ARG 99 1HD ARG 99 13.635 -1.752 0.828 812 HD3 ARG 99 2HD ARG 99 14.024 -2.047 2.523 813 HE ARG 99 HE ARG 99 12.694 -4.246 1.230 814 HH11 ARG 99 1HH1 ARG 99 15.798 -2.756 1.884 815 HH12 ARG 99 2HH1 ARG 99 16.684 -4.231 1.687 816 HH21 ARG 99 1HH2 ARG 99 13.867 -6.182 0.969 817 HH22 ARG 99 2HH2 ARG 99 15.588 -6.176 1.166 818 H LYS 100 H LYS 100 11.149 -2.702 -0.513 819 HA LYS 100 HA LYS 100 8.264 -2.407 -1.038 820 HB2 LYS 100 1HB LYS 100 8.565 -4.197 -2.779 821 HB3 LYS 100 2HB LYS 100 9.322 -2.659 -3.165 822 HG2 LYS 100 1HG LYS 100 11.491 -3.515 -2.578 823 HG3 LYS 100 2HG LYS 100 10.780 -5.023 -2.001 824 HD2 LYS 100 1HD LYS 100 11.403 -5.703 -4.081 825 HD3 LYS 100 2HD LYS 100 9.809 -5.059 -4.476 826 HE2 LYS 100 1HE LYS 100 10.657 -3.285 -5.604 827 HE3 LYS 100 2HE LYS 100 12.048 -3.133 -4.532 828 HZ1 LYS 100 3HZ LYS 100 13.159 -4.873 -5.653 829 HZ2 LYS 100 1HZ LYS 100 12.555 -3.852 -6.859 830 HZ3 LYS 100 2HZ LYS 100 11.776 -5.315 -6.522 831 H ILE 101 H ILE 101 6.905 -4.076 -0.357 832 HA ILE 101 HA ILE 101 8.151 -6.357 1.009 833 HB ILE 101 HB ILE 101 5.915 -4.786 2.284 834 HG12 ILE 101 1HG1 ILE 101 7.985 -4.390 3.963 835 HG13 ILE 101 2HG1 ILE 101 8.860 -4.442 2.437 836 HG21 ILE 101 1HG2 ILE 101 7.729 -6.898 3.439 837 HG22 ILE 101 2HG2 ILE 101 6.095 -7.193 2.843 838 HG23 ILE 101 3HG2 ILE 101 6.350 -6.132 4.230 839 HD11 ILE 101 3HD1 ILE 101 6.584 -2.595 3.110 840 HD12 ILE 101 1HD1 ILE 101 7.440 -2.652 1.570 841 HD13 ILE 101 2HD1 ILE 101 8.293 -2.168 3.034 842 HA PRO 102 HA PRO 102 4.697 -8.261 -1.145 843 HB2 PRO 102 1HB PRO 102 5.724 -10.715 -1.293 844 HB3 PRO 102 2HB PRO 102 6.409 -9.386 -2.236 845 HG2 PRO 102 1HG PRO 102 7.443 -10.681 0.233 846 HG3 PRO 102 2HG PRO 102 8.334 -9.990 -1.131 847 HD2 PRO 102 1HD PRO 102 7.808 -8.749 1.356 848 HD3 PRO 102 2HD PRO 102 8.477 -7.980 -0.097 849 H HIS 103 H HIS 103 2.975 -9.615 -0.592 850 HA HIS 103 HA HIS 103 3.055 -11.054 1.951 851 HB2 HIS 103 1HB HIS 103 0.967 -8.962 1.293 852 HB3 HIS 103 2HB HIS 103 0.904 -10.052 2.672 853 HD1 HIS 103 HD1 HIS 103 2.084 -9.310 4.754 854 HD2 HIS 103 HD2 HIS 103 3.136 -7.046 1.432 855 HE1 HIS 103 HE1 HIS 103 3.472 -7.413 5.646 856 HE2 HIS 103 HE2 HIS 103 4.166 -6.104 3.606 857 H ASP 104 H ASP 104 1.020 -12.369 2.269 858 HA ASP 104 HA ASP 104 -0.103 -13.236 -0.314 859 HB2 ASP 104 1HB ASP 104 0.836 -14.963 1.985 860 HB3 ASP 104 2HB ASP 104 -0.128 -15.562 0.639 861 H LEU 105 H LEU 105 -2.276 -13.335 -0.395 862 HA LEU 105 HA LEU 105 -3.740 -13.078 2.147 863 HB2 LEU 105 1HB LEU 105 -3.825 -11.473 -0.107 864 HB3 LEU 105 2HB LEU 105 -5.255 -12.473 -0.267 865 HG LEU 105 HG LEU 105 -4.570 -10.618 2.008 866 HD11 LEU 105 1HD1 LEU 105 -6.987 -10.652 0.219 867 HD12 LEU 105 2HD1 LEU 105 -5.541 -9.704 -0.130 868 HD13 LEU 105 3HD1 LEU 105 -6.472 -9.386 1.333 869 HD21 LEU 105 3HD2 LEU 105 -6.529 -11.343 3.144 870 HD22 LEU 105 1HD2 LEU 105 -5.573 -12.779 2.785 871 HD23 LEU 105 2HD2 LEU 105 -6.990 -12.397 1.808 872 H ASN 106 H ASN 106 -4.301 -15.086 2.741 873 HA ASN 106 HA ASN 106 -6.390 -16.433 1.451 874 HB2 ASN 106 1HB ASN 106 -4.288 -16.947 -0.037 875 HB3 ASN 106 2HB ASN 106 -3.908 -18.098 1.241 876 HD21 ASN 106 2HD2 ASN 106 -6.896 -17.086 -0.411 877 HD22 ASN 106 1HD2 ASN 106 -7.400 -18.685 -0.824 878 H PHE 107 H PHE 107 -6.003 -15.637 4.049 879 HA PHE 107 HA PHE 107 -6.044 -18.211 5.440 880 HB2 PHE 107 1HB PHE 107 -4.456 -15.817 6.393 881 HB3 PHE 107 2HB PHE 107 -4.700 -17.304 7.300 882 HD1 PHE 107 HD1 PHE 107 -3.069 -15.821 4.354 883 HD2 PHE 107 HD2 PHE 107 -3.424 -19.257 6.841 884 HE1 PHE 107 HE1 PHE 107 -1.069 -16.787 3.298 885 HE2 PHE 107 HE2 PHE 107 -1.424 -20.228 5.790 886 HZ PHE 107 HZ PHE 107 -0.244 -18.995 4.014 887 H LEU 108 H LEU 108 -7.738 -18.395 6.767 888 HA LEU 108 HA LEU 108 -9.699 -16.407 6.975 889 HB2 LEU 108 1HB LEU 108 -10.825 -17.855 8.515 890 HB3 LEU 108 2HB LEU 108 -10.102 -18.840 7.260 891 HG LEU 108 HG LEU 108 -8.136 -18.927 9.121 892 HD11 LEU 108 1HD1 LEU 108 -9.053 -17.848 10.926 893 HD12 LEU 108 2HD1 LEU 108 -9.549 -19.509 11.247 894 HD13 LEU 108 3HD1 LEU 108 -10.694 -18.367 10.544 895 HD21 LEU 108 3HD2 LEU 108 -10.470 -20.797 9.300 896 HD22 LEU 108 1HD2 LEU 108 -8.747 -21.150 9.443 897 HD23 LEU 108 2HD2 LEU 108 -9.439 -20.752 7.870 898 H GLN 109 H GLN 109 -10.038 -14.787 8.364 899 HA GLN 109 HA GLN 109 -9.776 -13.316 10.076 900 HB2 GLN 109 1HB GLN 109 -9.273 -15.844 11.259 901 HB3 GLN 109 2HB GLN 109 -8.054 -14.739 11.876 902 HG2 GLN 109 1HG GLN 109 -9.583 -13.428 12.955 903 HG3 GLN 109 2HG GLN 109 -10.888 -13.848 11.846 904 HE21 GLN 109 2HE2 GLN 109 -11.575 -16.189 11.951 905 HE22 GLN 109 1HE2 GLN 109 -11.695 -16.890 13.525 906 H GLU 110 H GLU 110 -8.103 -13.089 7.920 907 HA GLU 110 HA GLU 110 -5.369 -12.833 8.741 908 HB2 GLU 110 1HB GLU 110 -5.961 -13.354 6.402 909 HB3 GLU 110 2HB GLU 110 -6.737 -11.786 6.260 910 HG2 GLU 110 1HG GLU 110 -4.822 -10.794 5.786 911 HG3 GLU 110 2HG GLU 110 -4.049 -11.471 7.218 912 H SER 111 H SER 111 -4.323 -11.090 9.411 913 HA SER 111 HA SER 111 -5.531 -8.451 9.257 914 HB2 SER 111 1HB SER 111 -6.233 -9.644 11.434 915 HB3 SER 111 2HB SER 111 -4.549 -9.456 11.926 916 HG SER 111 HG SER 111 -6.239 -7.323 11.113 917 H TYR 112 H TYR 112 -3.574 -8.941 7.700 918 HA TYR 112 HA TYR 112 -1.064 -8.226 9.045 919 HB2 TYR 112 1HB TYR 112 -1.644 -9.593 6.419 920 HB3 TYR 112 2HB TYR 112 -0.061 -8.909 6.778 921 HD1 TYR 112 HD1 TYR 112 -2.573 -11.163 8.407 922 HD2 TYR 112 HD2 TYR 112 1.527 -10.351 7.611 923 HE1 TYR 112 HE1 TYR 112 -1.946 -13.237 9.561 924 HE2 TYR 112 HE2 TYR 112 2.166 -12.424 8.763 925 HH TYR 112 HH TYR 112 0.086 -14.156 10.738 926 H GLU 113 H GLU 113 -0.489 -6.187 8.927 927 HA GLU 113 HA GLU 113 -0.955 -4.675 6.483 928 HB2 GLU 113 1HB GLU 113 -2.270 -3.033 7.397 929 HB3 GLU 113 2HB GLU 113 -2.847 -4.430 8.283 930 HG2 GLU 113 1HG GLU 113 -0.945 -3.663 9.971 931 HG3 GLU 113 2HG GLU 113 -1.283 -2.101 9.224 932 H VAL 114 H VAL 114 0.526 -3.073 6.087 933 HA VAL 114 HA VAL 114 2.757 -2.890 8.008 934 HB VAL 114 HB VAL 114 2.930 -2.375 5.039 935 HG11 VAL 114 1HG1 VAL 114 4.913 -2.519 7.278 936 HG12 VAL 114 2HG1 VAL 114 4.741 -1.305 6.009 937 HG13 VAL 114 3HG1 VAL 114 5.404 -2.894 5.626 938 HG21 VAL 114 3HG2 VAL 114 3.808 -4.874 6.471 939 HG22 VAL 114 1HG2 VAL 114 3.838 -4.555 4.737 940 HG23 VAL 114 2HG2 VAL 114 2.296 -4.735 5.574 941 H GLU 115 H GLU 115 3.719 -0.907 8.415 942 HA GLU 115 HA GLU 115 2.421 1.473 7.293 943 HB2 GLU 115 1HB GLU 115 2.915 0.921 10.222 944 HB3 GLU 115 2HB GLU 115 2.516 2.510 9.581 945 HG2 GLU 115 1HG GLU 115 0.346 2.025 9.416 946 HG3 GLU 115 2HG GLU 115 0.658 0.437 8.724 947 H HIS 116 H HIS 116 4.008 2.417 6.193 948 HA HIS 116 HA HIS 116 6.667 2.620 7.454 949 HB2 HIS 116 1HB HIS 116 5.837 1.907 4.768 950 HB3 HIS 116 2HB HIS 116 6.951 3.269 4.749 951 HD1 HIS 116 HD1 HIS 116 9.189 2.747 6.380 952 HD2 HIS 116 HD2 HIS 116 7.119 -0.454 4.724 953 HE1 HIS 116 HE1 HIS 116 10.796 0.813 6.420 954 HE2 HIS 116 HE2 HIS 116 9.539 -1.100 5.366 955 H VAL 117 H VAL 117 7.618 4.608 7.668 956 HA VAL 117 HA VAL 117 6.074 6.924 6.696 957 HB VAL 117 HB VAL 117 5.792 6.675 9.123 958 HG11 VAL 117 1HG1 VAL 117 8.563 7.425 9.759 959 HG12 VAL 117 2HG1 VAL 117 8.342 5.772 9.188 960 HG13 VAL 117 3HG1 VAL 117 7.456 6.343 10.601 961 HG21 VAL 117 3HG2 VAL 117 5.868 8.904 9.489 962 HG22 VAL 117 1HG2 VAL 117 6.277 8.951 7.774 963 HG23 VAL 117 2HG2 VAL 117 7.552 9.042 8.988 964 H ILE 118 H ILE 118 7.160 8.169 5.348 965 HA ILE 118 HA ILE 118 10.107 8.165 5.447 966 HB ILE 118 HB ILE 118 8.447 8.894 3.037 967 HG12 ILE 118 1HG1 ILE 118 9.525 6.466 2.412 968 HG13 ILE 118 2HG1 ILE 118 9.144 6.237 4.115 969 HG21 ILE 118 1HG2 ILE 118 11.354 8.338 3.523 970 HG22 ILE 118 2HG2 ILE 118 10.603 9.755 2.787 971 HG23 ILE 118 3HG2 ILE 118 10.648 8.224 1.911 972 HD11 ILE 118 3HD1 ILE 118 6.824 7.207 3.429 973 HD12 ILE 118 1HD1 ILE 118 7.218 5.519 3.107 974 HD13 ILE 118 2HD1 ILE 118 7.322 6.712 1.812 975 H GLN 119 H GLN 119 10.822 9.972 6.409 976 HA GLN 119 HA GLN 119 9.516 12.523 5.711 977 HB2 GLN 119 1HB GLN 119 10.385 11.468 8.377 978 HB3 GLN 119 2HB GLN 119 10.389 13.201 8.084 979 HG2 GLN 119 1HG GLN 119 7.923 12.599 7.211 980 HG3 GLN 119 2HG GLN 119 8.133 11.340 8.427 981 HE21 GLN 119 2HE2 GLN 119 8.982 14.785 8.146 982 HE22 GLN 119 1HE2 GLN 119 8.320 15.243 9.675 983 H ILE 120 H ILE 120 10.840 14.346 5.518 984 HA ILE 120 HA ILE 120 13.609 14.353 6.064 985 HB ILE 120 HB ILE 120 13.663 12.775 4.173 986 HG12 ILE 120 1HG1 ILE 120 15.235 14.302 2.697 987 HG13 ILE 120 2HG1 ILE 120 14.995 15.448 4.010 988 HG21 ILE 120 1HG2 ILE 120 11.664 14.070 3.069 989 HG22 ILE 120 2HG2 ILE 120 12.830 13.178 2.091 990 HG23 ILE 120 3HG2 ILE 120 12.969 14.929 2.250 991 HD11 ILE 120 3HD1 ILE 120 15.835 13.781 5.597 992 HD12 ILE 120 1HD1 ILE 120 17.017 14.182 4.352 993 HD13 ILE 120 2HD1 ILE 120 16.119 12.669 4.259 994 HA PRO 121 HA PRO 121 11.505 18.439 5.055 995 HB2 PRO 121 1HB PRO 121 11.397 19.452 7.549 996 HB3 PRO 121 2HB PRO 121 10.131 18.399 6.908 997 HG2 PRO 121 1HG PRO 121 12.402 17.732 8.741 998 HG3 PRO 121 2HG PRO 121 10.711 17.205 8.814 999 HD2 PRO 121 1HD PRO 121 12.727 15.663 7.808 1000 HD3 PRO 121 2HD PRO 121 11.037 15.531 7.286 1001 H LEU 122 H LEU 122 14.225 17.508 7.074 1002 HA LEU 122 HA LEU 122 15.481 20.043 7.189 1003 HB2 LEU 122 1HB LEU 122 16.866 17.371 7.322 1004 HB3 LEU 122 2HB LEU 122 17.413 18.891 8.000 1005 HG LEU 122 HG LEU 122 14.988 17.356 8.949 1006 HD11 LEU 122 1HD1 LEU 122 16.355 16.828 10.915 1007 HD12 LEU 122 2HD1 LEU 122 17.747 17.591 10.144 1008 HD13 LEU 122 3HD1 LEU 122 17.031 16.143 9.438 1009 HD21 LEU 122 3HD2 LEU 122 14.479 19.453 9.655 1010 HD22 LEU 122 1HD2 LEU 122 16.158 19.995 9.628 1011 HD23 LEU 122 2HD2 LEU 122 15.572 19.003 10.963 1012 H ASN 123 H ASN 123 15.840 17.272 4.998 1013 HA ASN 123 HA ASN 123 17.585 18.908 3.288 1014 HB2 ASN 123 1HB ASN 123 17.142 15.916 3.175 1015 HB3 ASN 123 2HB ASN 123 18.351 16.834 2.287 1016 HD21 ASN 123 2HD2 ASN 123 19.602 18.364 3.997 1017 HD22 ASN 123 1HD2 ASN 123 20.276 17.473 5.313 Start of MODEL 19 1 H1 MET 1 1H MET 1 16.265 26.362 0.779 2 H2 MET 1 2H MET 1 14.584 26.215 1.088 3 H3 MET 1 3H MET 1 15.646 24.922 1.466 4 HA MET 1 HA MET 1 16.652 26.089 3.175 5 HB2 MET 1 1HB MET 1 15.488 28.373 1.733 6 HB3 MET 1 2HB MET 1 15.365 28.498 3.483 7 HG2 MET 1 1HG MET 1 17.373 29.580 2.725 8 HG3 MET 1 2HG MET 1 17.784 28.147 3.667 9 HE1 MET 1 3HE MET 1 19.427 29.525 0.029 10 HE2 MET 1 1HE MET 1 20.439 29.021 1.382 11 HE3 MET 1 2HE MET 1 19.091 30.126 1.653 12 H VAL 2 H VAL 2 13.281 27.162 2.543 13 HA VAL 2 HA VAL 2 12.514 26.071 5.155 14 HB VAL 2 HB VAL 2 10.380 27.305 4.824 15 HG11 VAL 2 1HG1 VAL 2 12.024 28.389 6.126 16 HG12 VAL 2 2HG1 VAL 2 11.415 29.604 5.003 17 HG13 VAL 2 3HG1 VAL 2 12.970 28.828 4.703 18 HG21 VAL 2 3HG2 VAL 2 11.718 28.502 2.399 19 HG22 VAL 2 1HG2 VAL 2 10.125 28.899 3.037 20 HG23 VAL 2 2HG2 VAL 2 10.423 27.306 2.341 21 H ALA 3 H ALA 3 13.031 24.318 2.856 22 HA ALA 3 HA ALA 3 10.394 23.342 2.084 23 HB1 ALA 3 3HB ALA 3 12.306 23.522 0.452 24 HB2 ALA 3 1HB ALA 3 11.507 21.950 0.514 25 HB3 ALA 3 2HB ALA 3 13.063 22.180 1.311 26 H THR 4 H THR 4 9.671 21.210 2.491 27 HA THR 4 HA THR 4 11.146 19.524 4.321 28 HB THR 4 HB THR 4 8.877 19.421 5.717 29 HG1 THR 4 HG1 THR 4 8.986 22.151 4.966 30 HG21 THR 4 3HG2 THR 4 10.203 20.076 7.344 31 HG22 THR 4 1HG2 THR 4 10.160 21.734 6.748 32 HG23 THR 4 2HG2 THR 4 11.385 20.615 6.154 33 H VAL 5 H VAL 5 10.322 17.385 4.445 34 HA VAL 5 HA VAL 5 8.089 16.760 2.650 35 HB VAL 5 HB VAL 5 10.707 15.257 2.571 36 HG11 VAL 5 1HG1 VAL 5 9.766 14.046 0.732 37 HG12 VAL 5 2HG1 VAL 5 8.324 15.061 0.736 38 HG13 VAL 5 3HG1 VAL 5 8.631 13.962 2.080 39 HG21 VAL 5 3HG2 VAL 5 10.751 16.226 0.191 40 HG22 VAL 5 1HG2 VAL 5 11.210 17.284 1.527 41 HG23 VAL 5 2HG2 VAL 5 9.608 17.420 0.806 42 H LYS 6 H LYS 6 6.653 15.592 3.710 43 HA LYS 6 HA LYS 6 7.585 13.613 5.678 44 HB2 LYS 6 1HB LYS 6 5.374 15.638 5.971 45 HB3 LYS 6 2HB LYS 6 5.422 14.173 6.942 46 HG2 LYS 6 1HG LYS 6 7.640 14.842 7.790 47 HG3 LYS 6 2HG LYS 6 7.514 16.339 6.865 48 HD2 LYS 6 1HD LYS 6 5.162 16.366 8.227 49 HD3 LYS 6 2HD LYS 6 6.217 15.553 9.386 50 HE2 LYS 6 1HE LYS 6 7.788 17.395 9.296 51 HE3 LYS 6 2HE LYS 6 6.825 18.190 8.053 52 HZ1 LYS 6 3HZ LYS 6 4.992 18.315 9.685 53 HZ2 LYS 6 1HZ LYS 6 6.360 19.196 10.153 54 HZ3 LYS 6 2HZ LYS 6 6.029 17.699 10.870 55 H ARG 7 H ARG 7 7.195 11.734 4.670 56 HA ARG 7 HA ARG 7 4.496 11.300 3.566 57 HB2 ARG 7 1HB ARG 7 7.140 10.256 2.538 58 HB3 ARG 7 2HB ARG 7 5.576 9.678 1.981 59 HG2 ARG 7 1HG ARG 7 5.028 11.827 1.079 60 HG3 ARG 7 2HG ARG 7 6.470 12.546 1.796 61 HD2 ARG 7 1HD ARG 7 7.576 10.543 0.353 62 HD3 ARG 7 2HD ARG 7 6.169 10.918 -0.642 63 HE ARG 7 HE ARG 7 7.229 13.351 -0.168 64 HH11 ARG 7 1HH1 ARG 7 8.602 10.367 -1.383 65 HH12 ARG 7 2HH1 ARG 7 9.813 11.166 -2.324 66 HH21 ARG 7 1HH2 ARG 7 8.831 14.395 -1.407 67 HH22 ARG 7 2HH2 ARG 7 9.948 13.451 -2.334 68 H THR 8 H THR 8 3.829 8.997 3.542 69 HA THR 8 HA THR 8 5.147 7.166 5.332 70 HB THR 8 HB THR 8 4.075 8.418 7.046 71 HG1 THR 8 HG1 THR 8 3.416 6.622 7.863 72 HG21 THR 8 3HG2 THR 8 2.498 9.732 5.800 73 HG22 THR 8 1HG2 THR 8 1.658 8.865 7.088 74 HG23 THR 8 2HG2 THR 8 1.549 8.295 5.423 75 H ILE 9 H ILE 9 4.457 5.049 5.062 76 HA ILE 9 HA ILE 9 2.393 4.647 2.996 77 HB ILE 9 HB ILE 9 4.652 4.030 2.227 78 HG12 ILE 9 1HG1 ILE 9 3.954 1.423 1.952 79 HG13 ILE 9 2HG1 ILE 9 2.410 2.112 2.445 80 HG21 ILE 9 1HG2 ILE 9 5.913 2.255 3.189 81 HG22 ILE 9 2HG2 ILE 9 4.618 1.869 4.321 82 HG23 ILE 9 3HG2 ILE 9 5.511 3.381 4.485 83 HD11 ILE 9 3HD1 ILE 9 2.123 2.537 0.282 84 HD12 ILE 9 1HD1 ILE 9 3.834 2.319 -0.081 85 HD13 ILE 9 2HD1 ILE 9 3.251 3.869 0.527 86 H ARG 10 H ARG 10 0.622 3.620 3.627 87 HA ARG 10 HA ARG 10 0.799 1.695 5.837 88 HB2 ARG 10 1HB ARG 10 -1.442 3.699 5.555 89 HB3 ARG 10 2HB ARG 10 -1.188 2.568 6.876 90 HG2 ARG 10 1HG ARG 10 1.071 3.842 7.161 91 HG3 ARG 10 2HG ARG 10 0.242 5.110 6.258 92 HD2 ARG 10 1HD ARG 10 -1.186 5.578 7.958 93 HD3 ARG 10 2HD ARG 10 -1.248 3.903 8.508 94 HE ARG 10 HE ARG 10 1.277 5.215 8.975 95 HH11 ARG 10 1HH1 ARG 10 -1.910 4.571 10.283 96 HH12 ARG 10 2HH1 ARG 10 -1.414 4.798 11.926 97 HH21 ARG 10 1HH2 ARG 10 1.918 5.511 11.143 98 HH22 ARG 10 2HH2 ARG 10 0.755 5.333 12.413 99 H ILE 11 H ILE 11 0.361 -0.190 4.847 100 HA ILE 11 HA ILE 11 -1.947 -0.289 3.009 101 HB ILE 11 HB ILE 11 -0.922 -2.410 2.130 102 HG12 ILE 11 1HG1 ILE 11 1.786 -1.696 2.943 103 HG13 ILE 11 2HG1 ILE 11 0.780 -2.138 4.317 104 HG21 ILE 11 1HG2 ILE 11 0.128 -1.262 0.489 105 HG22 ILE 11 2HG2 ILE 11 1.102 -0.318 1.616 106 HG23 ILE 11 3HG2 ILE 11 -0.581 0.121 1.324 107 HD11 ILE 11 3HD1 ILE 11 1.211 -4.254 3.848 108 HD12 ILE 11 1HD1 ILE 11 2.010 -3.808 2.340 109 HD13 ILE 11 2HD1 ILE 11 0.265 -4.068 2.369 110 H LYS 12 H LYS 12 -3.689 -1.346 3.697 111 HA LYS 12 HA LYS 12 -3.383 -3.266 5.914 112 HB2 LYS 12 1HB LYS 12 -5.523 -1.267 5.271 113 HB3 LYS 12 2HB LYS 12 -5.901 -2.680 6.240 114 HG2 LYS 12 1HG LYS 12 -5.440 -0.934 7.750 115 HG3 LYS 12 2HG LYS 12 -4.030 -1.992 7.773 116 HD2 LYS 12 1HD LYS 12 -2.766 -0.485 6.449 117 HD3 LYS 12 2HD LYS 12 -4.193 0.474 6.053 118 HE2 LYS 12 1HE LYS 12 -3.503 0.167 8.922 119 HE3 LYS 12 2HE LYS 12 -2.454 1.191 7.943 120 HZ1 LYS 12 3HZ LYS 12 -4.040 2.753 7.721 121 HZ2 LYS 12 1HZ LYS 12 -4.667 2.062 9.132 122 HZ3 LYS 12 2HZ LYS 12 -5.309 1.639 7.625 123 H THR 13 H THR 13 -3.867 -5.318 5.507 124 HA THR 13 HA THR 13 -5.697 -5.922 3.281 125 HB THR 13 HB THR 13 -3.358 -7.665 4.054 126 HG1 THR 13 HG1 THR 13 -2.116 -6.612 2.670 127 HG21 THR 13 3HG2 THR 13 -3.735 -8.103 1.446 128 HG22 THR 13 1HG2 THR 13 -5.390 -7.720 1.922 129 HG23 THR 13 2HG2 THR 13 -4.527 -9.038 2.714 130 H GLN 14 H GLN 14 -7.527 -6.650 4.184 131 HA GLN 14 HA GLN 14 -7.325 -8.569 6.415 132 HB2 GLN 14 1HB GLN 14 -8.623 -6.152 6.443 133 HB3 GLN 14 2HB GLN 14 -9.924 -7.253 6.012 134 HG2 GLN 14 1HG GLN 14 -9.573 -8.541 8.002 135 HG3 GLN 14 2HG GLN 14 -8.132 -7.609 8.401 136 HE21 GLN 14 2HE2 GLN 14 -8.415 -5.350 8.925 137 HE22 GLN 14 1HE2 GLN 14 -9.893 -4.821 9.644 138 H GLN 15 H GLN 15 -8.506 -10.475 6.317 139 HA GLN 15 HA GLN 15 -10.225 -10.932 3.988 140 HB2 GLN 15 1HB GLN 15 -8.095 -11.721 3.207 141 HB3 GLN 15 2HB GLN 15 -7.805 -12.593 4.704 142 HG2 GLN 15 1HG GLN 15 -8.854 -14.399 3.955 143 HG3 GLN 15 2HG GLN 15 -10.255 -13.463 3.443 144 HE21 GLN 15 2HE2 GLN 15 -9.444 -11.927 1.466 145 HE22 GLN 15 1HE2 GLN 15 -8.785 -12.847 0.161 146 H HIS 16 H HIS 16 -11.879 -12.415 4.322 147 HA HIS 16 HA HIS 16 -11.894 -13.829 6.905 148 HB2 HIS 16 1HB HIS 16 -13.229 -11.790 7.175 149 HB3 HIS 16 2HB HIS 16 -14.202 -12.232 5.776 150 HD1 HIS 16 HD1 HIS 16 -13.457 -13.430 9.292 151 HD2 HIS 16 HD2 HIS 16 -16.340 -13.843 6.327 152 HE1 HIS 16 HE1 HIS 16 -15.342 -14.704 10.361 153 HE2 HIS 16 HE2 HIS 16 -17.113 -14.865 8.574 154 H ILE 17 H ILE 17 -12.156 -15.942 6.572 155 HA ILE 17 HA ILE 17 -13.769 -16.811 4.257 156 HB ILE 17 HB ILE 17 -11.597 -18.491 5.491 157 HG12 ILE 17 1HG1 ILE 17 -11.282 -16.662 3.098 158 HG13 ILE 17 2HG1 ILE 17 -10.618 -16.336 4.694 159 HG21 ILE 17 1HG2 ILE 17 -13.549 -19.201 3.795 160 HG22 ILE 17 2HG2 ILE 17 -11.949 -19.942 3.791 161 HG23 ILE 17 3HG2 ILE 17 -12.333 -18.669 2.634 162 HD11 ILE 17 3HD1 ILE 17 -8.883 -17.210 3.320 163 HD12 ILE 17 1HD1 ILE 17 -9.882 -18.581 2.837 164 HD13 ILE 17 2HD1 ILE 17 -9.313 -18.446 4.501 165 H LEU 18 H LEU 18 -15.333 -18.350 4.584 166 HA LEU 18 HA LEU 18 -15.506 -19.644 7.198 167 HB2 LEU 18 1HB LEU 18 -16.896 -17.394 6.878 168 HB3 LEU 18 2HB LEU 18 -18.029 -18.499 6.125 169 HG LEU 18 HG LEU 18 -18.162 -19.810 8.177 170 HD11 LEU 18 1HD1 LEU 18 -16.232 -19.745 9.360 171 HD12 LEU 18 2HD1 LEU 18 -17.092 -18.467 10.218 172 HD13 LEU 18 3HD1 LEU 18 -15.917 -18.054 8.969 173 HD21 LEU 18 3HD2 LEU 18 -18.556 -16.859 8.662 174 HD22 LEU 18 1HD2 LEU 18 -19.316 -18.172 9.561 175 HD23 LEU 18 2HD2 LEU 18 -19.698 -17.934 7.856 176 HA PRO 19 HA PRO 19 -16.581 -22.533 3.745 177 HB2 PRO 19 1HB PRO 19 -14.974 -24.554 4.512 178 HB3 PRO 19 2HB PRO 19 -14.378 -23.185 3.566 179 HG2 PRO 19 1HG PRO 19 -14.147 -23.704 6.503 180 HG3 PRO 19 2HG PRO 19 -12.932 -23.070 5.380 181 HD2 PRO 19 1HD PRO 19 -14.411 -21.497 7.061 182 HD3 PRO 19 2HD PRO 19 -13.742 -20.933 5.518 183 H GLU 20 H GLU 20 -16.404 -22.963 7.233 184 HA GLU 20 HA GLU 20 -17.809 -25.405 7.405 185 HB2 GLU 20 1HB GLU 20 -16.391 -24.230 9.189 186 HB3 GLU 20 2HB GLU 20 -17.821 -23.268 9.528 187 HG2 GLU 20 1HG GLU 20 -19.039 -25.154 10.246 188 HG3 GLU 20 2HG GLU 20 -17.839 -26.270 9.596 189 H VAL 21 H VAL 21 -18.996 -22.134 8.250 190 HA VAL 21 HA VAL 21 -21.700 -23.036 7.504 191 HB VAL 21 HB VAL 21 -21.495 -22.496 9.894 192 HG11 VAL 21 1HG1 VAL 21 -19.877 -20.398 9.018 193 HG12 VAL 21 2HG1 VAL 21 -20.376 -20.740 10.673 194 HG13 VAL 21 3HG1 VAL 21 -21.317 -19.627 9.680 195 HG21 VAL 21 3HG2 VAL 21 -23.166 -20.559 8.296 196 HG22 VAL 21 1HG2 VAL 21 -23.360 -20.867 10.022 197 HG23 VAL 21 2HG2 VAL 21 -23.641 -22.161 8.858 198 HA PRO 22 HA PRO 22 -21.622 -20.235 4.060 199 HB2 PRO 22 1HB PRO 22 -24.503 -19.884 4.747 200 HB3 PRO 22 2HB PRO 22 -23.757 -20.288 3.197 201 HG2 PRO 22 1HG PRO 22 -24.981 -22.160 4.631 202 HG3 PRO 22 2HG PRO 22 -23.477 -22.522 3.765 203 HD2 PRO 22 1HD PRO 22 -23.924 -22.052 6.679 204 HD3 PRO 22 2HD PRO 22 -22.804 -23.171 5.874 205 HA PRO 23 HA PRO 23 -21.411 -16.489 6.642 206 HB2 PRO 23 1HB PRO 23 -19.500 -15.250 5.188 207 HB3 PRO 23 2HB PRO 23 -19.127 -16.517 6.360 208 HG2 PRO 23 1HG PRO 23 -19.301 -16.677 3.385 209 HG3 PRO 23 2HG PRO 23 -18.163 -17.468 4.486 210 HD2 PRO 23 1HD PRO 23 -20.355 -18.701 3.371 211 HD3 PRO 23 2HD PRO 23 -19.580 -19.215 4.882 212 H VAL 24 H VAL 24 -21.276 -16.410 3.080 213 HA VAL 24 HA VAL 24 -23.287 -14.258 3.106 214 HB VAL 24 HB VAL 24 -22.260 -13.324 1.070 215 HG11 VAL 24 1HG1 VAL 24 -19.990 -13.329 2.953 216 HG12 VAL 24 2HG1 VAL 24 -21.558 -12.881 3.626 217 HG13 VAL 24 3HG1 VAL 24 -20.891 -11.980 2.263 218 HG21 VAL 24 3HG2 VAL 24 -20.470 -15.655 1.401 219 HG22 VAL 24 1HG2 VAL 24 -19.708 -14.143 0.908 220 HG23 VAL 24 2HG2 VAL 24 -21.005 -14.834 -0.064 221 H GLU 25 H GLU 25 -22.062 -17.156 1.526 222 HA GLU 25 HA GLU 25 -24.643 -17.487 0.206 223 HB2 GLU 25 1HB GLU 25 -23.028 -16.476 -1.429 224 HB3 GLU 25 2HB GLU 25 -22.016 -17.900 -1.239 225 HG2 GLU 25 1HG GLU 25 -23.417 -17.980 -3.253 226 HG3 GLU 25 2HG GLU 25 -23.744 -19.307 -2.142 227 H ASN 26 H ASN 26 -24.997 -19.740 -0.517 228 HA ASN 26 HA ASN 26 -24.475 -21.579 1.483 229 HB2 ASN 26 1HB ASN 26 -25.406 -21.844 -1.348 230 HB3 ASN 26 2HB ASN 26 -25.027 -23.296 -0.430 231 HD21 ASN 26 2HD2 ASN 26 -27.520 -21.602 -1.409 232 HD22 ASN 26 1HD2 ASN 26 -28.599 -21.779 -0.072 233 H PHE 27 H PHE 27 -22.758 -21.109 -1.589 234 HA PHE 27 HA PHE 27 -20.919 -23.265 -1.089 235 HB2 PHE 27 1HB PHE 27 -21.402 -21.302 -3.242 236 HB3 PHE 27 2HB PHE 27 -19.724 -21.793 -3.047 237 HD1 PHE 27 HD1 PHE 27 -23.115 -22.932 -3.876 238 HD2 PHE 27 HD2 PHE 27 -19.009 -24.019 -3.581 239 HE1 PHE 27 HE1 PHE 27 -23.571 -24.992 -5.146 240 HE2 PHE 27 HE2 PHE 27 -19.460 -26.077 -4.848 241 HZ PHE 27 HZ PHE 27 -21.742 -26.566 -5.635 242 HA PRO 28 HA PRO 28 -17.847 -21.352 1.438 243 HB2 PRO 28 1HB PRO 28 -15.859 -22.354 -0.545 244 HB3 PRO 28 2HB PRO 28 -15.916 -22.583 1.206 245 HG2 PRO 28 1HG PRO 28 -16.599 -24.560 -0.433 246 HG3 PRO 28 2HG PRO 28 -17.504 -24.273 1.065 247 HD2 PRO 28 1HD PRO 28 -18.243 -23.615 -1.754 248 HD3 PRO 28 2HD PRO 28 -19.269 -24.175 -0.416 249 H VAL 29 H VAL 29 -17.736 -19.186 1.389 250 HA VAL 29 HA VAL 29 -16.416 -17.897 -0.912 251 HB VAL 29 HB VAL 29 -18.604 -16.643 0.752 252 HG11 VAL 29 1HG1 VAL 29 -17.271 -14.941 -0.170 253 HG12 VAL 29 2HG1 VAL 29 -18.664 -15.075 -1.242 254 HG13 VAL 29 3HG1 VAL 29 -17.120 -15.784 -1.713 255 HG21 VAL 29 3HG2 VAL 29 -18.763 -18.435 -1.556 256 HG22 VAL 29 1HG2 VAL 29 -19.656 -16.928 -1.752 257 HG23 VAL 29 2HG2 VAL 29 -19.997 -17.983 -0.381 258 H ARG 30 H ARG 30 -15.105 -16.074 -0.462 259 HA ARG 30 HA ARG 30 -14.436 -15.682 2.379 260 HB2 ARG 30 1HB ARG 30 -12.055 -15.260 1.562 261 HB3 ARG 30 2HB ARG 30 -12.610 -16.927 1.589 262 HG2 ARG 30 1HG ARG 30 -13.036 -15.519 -0.955 263 HG3 ARG 30 2HG ARG 30 -11.349 -15.758 -0.495 264 HD2 ARG 30 1HD ARG 30 -12.195 -18.200 0.026 265 HD3 ARG 30 2HD ARG 30 -13.454 -17.769 -1.131 266 HE ARG 30 HE ARG 30 -11.184 -17.091 -2.426 267 HH11 ARG 30 1HH1 ARG 30 -12.205 -20.033 -0.819 268 HH12 ARG 30 2HH1 ARG 30 -11.265 -21.063 -1.843 269 HH21 ARG 30 1HH2 ARG 30 -9.950 -18.454 -3.772 270 HH22 ARG 30 2HH2 ARG 30 -9.985 -20.167 -3.519 271 H GLN 31 H GLN 31 -13.277 -13.616 2.808 272 HA GLN 31 HA GLN 31 -14.284 -11.466 1.060 273 HB2 GLN 31 1HB GLN 31 -14.554 -11.913 3.911 274 HB3 GLN 31 2HB GLN 31 -13.784 -10.367 3.583 275 HG2 GLN 31 1HG GLN 31 -15.631 -9.508 2.538 276 HG3 GLN 31 2HG GLN 31 -16.243 -11.095 2.077 277 HE21 GLN 31 2HE2 GLN 31 -16.590 -12.502 4.208 278 HE22 GLN 31 1HE2 GLN 31 -17.583 -11.720 5.386 279 H TRP 32 H TRP 32 -13.008 -9.496 1.019 280 HA TRP 32 HA TRP 32 -10.288 -9.610 1.985 281 HB2 TRP 32 1HB TRP 32 -9.239 -9.346 -0.211 282 HB3 TRP 32 2HB TRP 32 -10.115 -10.869 -0.117 283 HD1 TRP 32 HD1 TRP 32 -12.164 -11.208 -1.746 284 HE1 TRP 32 HE1 TRP 32 -13.013 -9.901 -3.794 285 HE3 TRP 32 HE3 TRP 32 -9.461 -6.906 -1.147 286 HZ2 TRP 32 HZ2 TRP 32 -12.591 -7.384 -4.999 287 HZ3 TRP 32 HZ3 TRP 32 -9.745 -5.098 -2.792 288 HH2 TRP 32 HH2 TRP 32 -11.278 -5.336 -4.677 289 H SER 33 H SER 33 -9.374 -7.635 2.234 290 HA SER 33 HA SER 33 -10.634 -5.302 1.011 291 HB2 SER 33 1HB SER 33 -10.786 -4.120 3.156 292 HB3 SER 33 2HB SER 33 -11.764 -5.586 3.189 293 HG SER 33 HG SER 33 -9.584 -4.905 4.691 294 H ILE 34 H ILE 34 -9.043 -4.192 0.075 295 HA ILE 34 HA ILE 34 -6.452 -4.054 1.460 296 HB ILE 34 HB ILE 34 -6.245 -5.585 -0.430 297 HG12 ILE 34 1HG1 ILE 34 -4.380 -4.422 -1.616 298 HG13 ILE 34 2HG1 ILE 34 -4.867 -2.921 -0.836 299 HG21 ILE 34 1HG2 ILE 34 -8.071 -4.599 -1.792 300 HG22 ILE 34 2HG2 ILE 34 -6.597 -4.918 -2.704 301 HG23 ILE 34 3HG2 ILE 34 -6.987 -3.271 -2.210 302 HD11 ILE 34 3HD1 ILE 34 -4.281 -3.750 1.304 303 HD12 ILE 34 1HD1 ILE 34 -2.941 -4.117 0.219 304 HD13 ILE 34 2HD1 ILE 34 -4.073 -5.387 0.684 305 H GLU 35 H GLU 35 -5.724 -2.072 1.827 306 HA GLU 35 HA GLU 35 -6.695 0.133 0.145 307 HB2 GLU 35 1HB GLU 35 -6.847 1.564 2.152 308 HB3 GLU 35 2HB GLU 35 -7.975 0.219 2.196 309 HG2 GLU 35 1HG GLU 35 -6.946 -0.775 3.956 310 HG3 GLU 35 2HG GLU 35 -5.350 -0.183 3.505 311 H ILE 36 H ILE 36 -5.189 1.587 -0.477 312 HA ILE 36 HA ILE 36 -2.463 1.241 0.593 313 HB ILE 36 HB ILE 36 -3.215 2.226 -2.163 314 HG12 ILE 36 1HG1 ILE 36 -2.038 -0.114 -2.682 315 HG13 ILE 36 2HG1 ILE 36 -2.709 -0.515 -1.105 316 HG21 ILE 36 1HG2 ILE 36 -0.535 1.254 -1.211 317 HG22 ILE 36 2HG2 ILE 36 -1.017 2.948 -1.139 318 HG23 ILE 36 3HG2 ILE 36 -0.922 2.124 -2.694 319 HD11 ILE 36 3HD1 ILE 36 -4.112 -1.105 -3.110 320 HD12 ILE 36 1HD1 ILE 36 -4.368 0.626 -3.329 321 HD13 ILE 36 2HD1 ILE 36 -4.915 -0.166 -1.852 322 H VAL 37 H VAL 37 -2.119 2.867 1.999 323 HA VAL 37 HA VAL 37 -3.032 5.570 1.279 324 HB VAL 37 HB VAL 37 -2.038 4.643 3.971 325 HG11 VAL 37 1HG1 VAL 37 -1.859 7.051 3.579 326 HG12 VAL 37 2HG1 VAL 37 -3.080 6.689 4.799 327 HG13 VAL 37 3HG1 VAL 37 -3.571 7.108 3.158 328 HG21 VAL 37 3HG2 VAL 37 -4.634 4.989 4.423 329 HG22 VAL 37 1HG2 VAL 37 -3.963 3.437 3.921 330 HG23 VAL 37 2HG2 VAL 37 -4.724 4.494 2.733 331 H LEU 38 H LEU 38 -1.629 7.267 1.117 332 HA LEU 38 HA LEU 38 1.142 7.047 1.857 333 HB2 LEU 38 1HB LEU 38 1.969 7.469 -0.462 334 HB3 LEU 38 2HB LEU 38 1.312 5.864 -0.200 335 HG LEU 38 HG LEU 38 -0.871 7.311 -1.106 336 HD11 LEU 38 1HD1 LEU 38 1.624 8.184 -2.540 337 HD12 LEU 38 2HD1 LEU 38 0.389 9.194 -1.789 338 HD13 LEU 38 3HD1 LEU 38 0.012 8.280 -3.249 339 HD21 LEU 38 3HD2 LEU 38 -0.555 5.985 -3.169 340 HD22 LEU 38 1HD2 LEU 38 -0.385 5.029 -1.699 341 HD23 LEU 38 2HD2 LEU 38 1.049 5.526 -2.598 342 H LEU 39 H LEU 39 2.357 9.055 1.400 343 HA LEU 39 HA LEU 39 0.569 11.388 1.152 344 HB2 LEU 39 1HB LEU 39 2.536 10.688 3.204 345 HB3 LEU 39 2HB LEU 39 2.755 12.304 2.560 346 HG LEU 39 HG LEU 39 1.390 12.511 4.485 347 HD11 LEU 39 1HD1 LEU 39 0.706 13.751 2.379 348 HD12 LEU 39 2HD1 LEU 39 -0.512 13.607 3.645 349 HD13 LEU 39 3HD1 LEU 39 -0.590 12.563 2.227 350 HD21 LEU 39 3HD2 LEU 39 -0.924 11.227 4.325 351 HD22 LEU 39 1HD2 LEU 39 0.503 10.500 5.062 352 HD23 LEU 39 2HD2 LEU 39 0.061 10.090 3.404 353 H ASP 40 H ASP 40 1.581 13.358 0.371 354 HA ASP 40 HA ASP 40 4.135 13.424 -0.817 355 HB2 ASP 40 1HB ASP 40 2.249 12.029 -2.367 356 HB3 ASP 40 2HB ASP 40 2.410 13.611 -3.129 357 H ASP 41 H ASP 41 0.802 14.616 -1.123 358 HA ASP 41 HA ASP 41 1.615 17.243 -1.935 359 HB2 ASP 41 1HB ASP 41 -0.578 16.082 -2.519 360 HB3 ASP 41 2HB ASP 41 -1.105 16.466 -0.884 361 H GLU 42 H GLU 42 1.980 15.824 0.993 362 HA GLU 42 HA GLU 42 1.016 17.978 2.662 363 HB2 GLU 42 1HB GLU 42 2.063 15.282 3.061 364 HB3 GLU 42 2HB GLU 42 2.714 16.437 4.216 365 HG2 GLU 42 1HG GLU 42 0.278 17.132 4.602 366 HG3 GLU 42 2HG GLU 42 -0.136 15.633 3.772 367 H GLY 43 H GLY 43 4.086 16.852 1.334 368 HA2 GLY 43 1HA GLY 43 5.338 19.302 2.403 369 HA3 GLY 43 2HA GLY 43 6.198 17.775 2.304 370 H LYS 44 H LYS 44 6.304 16.826 0.042 371 HA LYS 44 HA LYS 44 6.507 18.922 -2.006 372 HB2 LYS 44 1HB LYS 44 8.708 17.865 -0.733 373 HB3 LYS 44 2HB LYS 44 8.601 16.885 -2.186 374 HG2 LYS 44 1HG LYS 44 8.928 18.697 -3.591 375 HG3 LYS 44 2HG LYS 44 8.453 19.865 -2.355 376 HD2 LYS 44 1HD LYS 44 10.489 19.688 -1.233 377 HD3 LYS 44 2HD LYS 44 10.886 18.148 -1.997 378 HE2 LYS 44 1HE LYS 44 10.526 20.431 -3.827 379 HE3 LYS 44 2HE LYS 44 11.918 20.532 -2.751 380 HZ1 LYS 44 3HZ LYS 44 12.506 18.242 -3.543 381 HZ2 LYS 44 1HZ LYS 44 12.639 19.461 -4.710 382 HZ3 LYS 44 2HZ LYS 44 11.314 18.409 -4.732 383 H GLU 45 H GLU 45 5.389 18.393 -3.753 384 HA GLU 45 HA GLU 45 4.812 15.556 -4.269 385 HB2 GLU 45 1HB GLU 45 2.918 16.339 -5.601 386 HB3 GLU 45 2HB GLU 45 2.849 16.991 -3.972 387 HG2 GLU 45 1HG GLU 45 2.875 19.084 -4.715 388 HG3 GLU 45 2HG GLU 45 4.253 18.773 -5.768 389 H ILE 46 H ILE 46 7.346 16.855 -5.023 390 HA ILE 46 HA ILE 46 7.180 16.430 -7.932 391 HB ILE 46 HB ILE 46 9.051 18.398 -6.610 392 HG12 ILE 46 1HG1 ILE 46 6.647 19.124 -8.284 393 HG13 ILE 46 2HG1 ILE 46 6.552 18.996 -6.531 394 HG21 ILE 46 1HG2 ILE 46 8.338 18.228 -9.521 395 HG22 ILE 46 2HG2 ILE 46 9.654 17.283 -8.826 396 HG23 ILE 46 3HG2 ILE 46 9.706 19.045 -8.763 397 HD11 ILE 46 3HD1 ILE 46 8.747 20.667 -7.514 398 HD12 ILE 46 1HD1 ILE 46 7.593 20.949 -6.211 399 HD13 ILE 46 2HD1 ILE 46 7.128 21.264 -7.883 400 HA PRO 47 HA PRO 47 10.332 13.400 -7.005 401 HB2 PRO 47 1HB PRO 47 10.847 12.599 -9.524 402 HB3 PRO 47 2HB PRO 47 9.337 12.185 -8.704 403 HG2 PRO 47 1HG PRO 47 9.874 14.343 -10.706 404 HG3 PRO 47 2HG PRO 47 8.501 13.227 -10.611 405 HD2 PRO 47 1HD PRO 47 8.403 15.800 -9.716 406 HD3 PRO 47 2HD PRO 47 7.423 14.492 -9.028 407 H ALA 48 H ALA 48 12.534 12.784 -8.274 408 HA ALA 48 HA ALA 48 13.990 15.084 -9.240 409 HB1 ALA 48 3HB ALA 48 15.368 15.506 -7.487 410 HB2 ALA 48 1HB ALA 48 15.297 13.852 -6.883 411 HB3 ALA 48 2HB ALA 48 13.957 14.959 -6.582 412 H THR 49 H THR 49 14.356 11.779 -7.930 413 HA THR 49 HA THR 49 16.277 11.228 -10.095 414 HB THR 49 HB THR 49 15.953 9.565 -7.600 415 HG1 THR 49 HG1 THR 49 17.428 10.803 -6.596 416 HG21 THR 49 3HG2 THR 49 18.387 9.945 -9.319 417 HG22 THR 49 1HG2 THR 49 17.229 8.633 -9.544 418 HG23 THR 49 2HG2 THR 49 18.135 8.762 -8.035 419 H ILE 50 H ILE 50 13.937 9.381 -8.107 420 HA ILE 50 HA ILE 50 12.914 8.183 -10.592 421 HB ILE 50 HB ILE 50 13.308 6.639 -8.024 422 HG12 ILE 50 1HG1 ILE 50 14.882 5.426 -9.919 423 HG13 ILE 50 2HG1 ILE 50 15.105 7.130 -10.299 424 HG21 ILE 50 1HG2 ILE 50 11.982 6.084 -10.598 425 HG22 ILE 50 2HG2 ILE 50 11.650 5.450 -8.988 426 HG23 ILE 50 3HG2 ILE 50 12.975 4.783 -9.941 427 HD11 ILE 50 3HD1 ILE 50 16.808 6.329 -8.764 428 HD12 ILE 50 1HD1 ILE 50 15.561 5.848 -7.614 429 HD13 ILE 50 2HD1 ILE 50 15.793 7.552 -8.000 430 H PHE 51 H PHE 51 12.096 7.804 -7.136 431 HA PHE 51 HA PHE 51 10.152 8.016 -5.996 432 HB2 PHE 51 1HB PHE 51 10.453 10.363 -6.268 433 HB3 PHE 51 2HB PHE 51 9.888 10.314 -7.932 434 HD1 PHE 51 HD1 PHE 51 8.675 9.424 -4.514 435 HD2 PHE 51 HD2 PHE 51 7.745 11.058 -8.334 436 HE1 PHE 51 HE1 PHE 51 6.398 9.930 -3.741 437 HE2 PHE 51 HE2 PHE 51 5.466 11.566 -7.563 438 HZ PHE 51 HZ PHE 51 4.789 11.000 -5.265 439 H ASP 52 H ASP 52 9.165 6.074 -6.457 440 HA ASP 52 HA ASP 52 6.769 6.219 -8.044 441 HB2 ASP 52 1HB ASP 52 8.993 5.386 -9.409 442 HB3 ASP 52 2HB ASP 52 8.331 3.857 -8.838 443 H LYS 53 H LYS 53 5.286 5.338 -6.744 444 HA LYS 53 HA LYS 53 6.076 3.037 -5.079 445 HB2 LYS 53 1HB LYS 53 3.644 4.718 -4.538 446 HB3 LYS 53 2HB LYS 53 4.544 3.697 -3.431 447 HG2 LYS 53 1HG LYS 53 5.385 5.628 -2.685 448 HG3 LYS 53 2HG LYS 53 6.435 5.532 -4.100 449 HD2 LYS 53 1HD LYS 53 5.614 7.548 -4.633 450 HD3 LYS 53 2HD LYS 53 4.158 6.679 -5.121 451 HE2 LYS 53 1HE LYS 53 3.271 8.253 -3.701 452 HE3 LYS 53 2HE LYS 53 3.528 6.908 -2.593 453 HZ1 LYS 53 3HZ LYS 53 4.727 9.513 -2.609 454 HZ2 LYS 53 1HZ LYS 53 5.884 8.277 -2.510 455 HZ3 LYS 53 2HZ LYS 53 4.645 8.371 -1.362 456 H VAL 54 H VAL 54 5.365 1.145 -5.845 457 HA VAL 54 HA VAL 54 2.816 1.107 -7.334 458 HB VAL 54 HB VAL 54 4.934 -1.024 -7.547 459 HG11 VAL 54 1HG1 VAL 54 2.550 -0.225 -9.199 460 HG12 VAL 54 2HG1 VAL 54 2.850 -1.761 -8.387 461 HG13 VAL 54 3HG1 VAL 54 3.807 -1.308 -9.797 462 HG21 VAL 54 3HG2 VAL 54 5.671 0.093 -9.637 463 HG22 VAL 54 1HG2 VAL 54 6.031 1.029 -8.186 464 HG23 VAL 54 2HG2 VAL 54 4.668 1.479 -9.212 465 H ILE 55 H ILE 55 1.351 -0.596 -7.008 466 HA ILE 55 HA ILE 55 1.751 -2.209 -4.576 467 HB ILE 55 HB ILE 55 -0.808 -0.798 -5.343 468 HG12 ILE 55 1HG1 ILE 55 -0.170 0.224 -2.934 469 HG13 ILE 55 2HG1 ILE 55 1.449 -0.074 -3.559 470 HG21 ILE 55 1HG2 ILE 55 -0.790 -1.707 -2.649 471 HG22 ILE 55 2HG2 ILE 55 -0.360 -3.058 -3.696 472 HG23 ILE 55 3HG2 ILE 55 -1.862 -2.176 -3.967 473 HD11 ILE 55 3HD1 ILE 55 -0.687 1.618 -4.834 474 HD12 ILE 55 1HD1 ILE 55 0.881 1.262 -5.555 475 HD13 ILE 55 2HD1 ILE 55 0.791 2.182 -4.055 476 H TYR 56 H TYR 56 1.193 -4.304 -4.738 477 HA TYR 56 HA TYR 56 -0.424 -5.145 -7.050 478 HB2 TYR 56 1HB TYR 56 2.129 -5.597 -7.181 479 HB3 TYR 56 2HB TYR 56 1.809 -6.851 -5.988 480 HD1 TYR 56 HD1 TYR 56 0.162 -5.679 -9.143 481 HD2 TYR 56 HD2 TYR 56 1.675 -8.958 -6.896 482 HE1 TYR 56 HE1 TYR 56 -0.511 -7.214 -10.941 483 HE2 TYR 56 HE2 TYR 56 1.011 -10.501 -8.687 484 HH TYR 56 HH TYR 56 0.609 -10.260 -11.269 485 H HIS 57 H HIS 57 -2.200 -6.184 -6.456 486 HA HIS 57 HA HIS 57 -2.149 -7.778 -3.987 487 HB2 HIS 57 1HB HIS 57 -4.671 -7.060 -3.835 488 HB3 HIS 57 2HB HIS 57 -3.410 -6.008 -3.210 489 HD1 HIS 57 HD1 HIS 57 -4.637 -3.823 -3.527 490 HD2 HIS 57 HD2 HIS 57 -4.396 -6.050 -7.026 491 HE1 HIS 57 HE1 HIS 57 -5.446 -2.297 -5.350 492 HE2 HIS 57 HE2 HIS 57 -5.299 -3.665 -7.460 493 H LEU 58 H LEU 58 -2.295 -9.816 -4.600 494 HA LEU 58 HA LEU 58 -3.128 -11.751 -5.441 495 HB2 LEU 58 1HB LEU 58 -5.425 -9.951 -6.166 496 HB3 LEU 58 2HB LEU 58 -5.394 -11.636 -6.638 497 HG LEU 58 HG LEU 58 -4.994 -12.045 -4.075 498 HD11 LEU 58 1HD1 LEU 58 -5.524 -9.214 -4.190 499 HD12 LEU 58 2HD1 LEU 58 -5.016 -10.212 -2.828 500 HD13 LEU 58 3HD1 LEU 58 -6.730 -10.050 -3.211 501 HD21 LEU 58 3HD2 LEU 58 -6.892 -13.027 -4.881 502 HD22 LEU 58 1HD2 LEU 58 -7.498 -11.532 -5.591 503 HD23 LEU 58 2HD2 LEU 58 -7.613 -11.792 -3.851 504 H HIS 59 H HIS 59 -3.324 -12.942 -7.438 505 HA HIS 59 HA HIS 59 -1.765 -11.769 -9.525 506 HB2 HIS 59 1HB HIS 59 -2.804 -14.465 -8.909 507 HB3 HIS 59 2HB HIS 59 -2.572 -14.109 -10.617 508 HD1 HIS 59 HD1 HIS 59 -0.400 -15.036 -11.328 509 HD2 HIS 59 HD2 HIS 59 -0.190 -13.382 -7.520 510 HE1 HIS 59 HE1 HIS 59 2.003 -15.266 -10.625 511 HE2 HIS 59 HE2 HIS 59 2.102 -14.289 -8.304 512 HA PRO 60 HA PRO 60 -6.082 -12.513 -11.956 513 HB2 PRO 60 1HB PRO 60 -7.664 -11.610 -9.587 514 HB3 PRO 60 2HB PRO 60 -8.109 -12.709 -10.897 515 HG2 PRO 60 1HG PRO 60 -7.430 -13.669 -8.517 516 HG3 PRO 60 2HG PRO 60 -6.903 -14.482 -10.000 517 HD2 PRO 60 1HD PRO 60 -5.356 -12.784 -8.108 518 HD3 PRO 60 2HD PRO 60 -4.823 -14.175 -9.072 519 H THR 61 H THR 61 -5.354 -10.050 -9.515 520 HA THR 61 HA THR 61 -6.718 -7.942 -10.873 521 HB THR 61 HB THR 61 -4.488 -7.553 -8.890 522 HG1 THR 61 HG1 THR 61 -5.689 -8.332 -7.366 523 HG21 THR 61 3HG2 THR 61 -5.102 -5.436 -9.198 524 HG22 THR 61 1HG2 THR 61 -6.516 -5.860 -8.233 525 HG23 THR 61 2HG2 THR 61 -6.611 -5.886 -9.993 526 H PHE 62 H PHE 62 -4.255 -9.607 -12.077 527 HA PHE 62 HA PHE 62 -2.218 -7.799 -12.697 528 HB2 PHE 62 1HB PHE 62 -2.658 -10.414 -13.251 529 HB3 PHE 62 2HB PHE 62 -3.004 -9.709 -14.825 530 HD1 PHE 62 HD1 PHE 62 -1.095 -7.673 -15.272 531 HD2 PHE 62 HD2 PHE 62 -0.578 -11.347 -13.182 532 HE1 PHE 62 HE1 PHE 62 1.315 -7.614 -15.766 533 HE2 PHE 62 HE2 PHE 62 1.832 -11.290 -13.671 534 HZ PHE 62 HZ PHE 62 2.781 -9.422 -14.964 535 H ALA 63 H ALA 63 -5.376 -8.303 -14.173 536 HA ALA 63 HA ALA 63 -4.961 -6.725 -16.489 537 HB1 ALA 63 3HB ALA 63 -7.414 -7.691 -15.063 538 HB2 ALA 63 1HB ALA 63 -6.768 -8.188 -16.627 539 HB3 ALA 63 2HB ALA 63 -7.526 -6.607 -16.449 540 H ASN 64 H ASN 64 -5.893 -5.942 -13.194 541 HA ASN 64 HA ASN 64 -5.715 -3.102 -13.886 542 HB2 ASN 64 1HB ASN 64 -8.146 -3.925 -13.779 543 HB3 ASN 64 2HB ASN 64 -7.887 -4.090 -12.046 544 HD21 ASN 64 2HD2 ASN 64 -7.360 -2.181 -10.832 545 HD22 ASN 64 1HD2 ASN 64 -7.872 -0.631 -11.395 546 HA PRO 65 HA PRO 65 -3.354 -4.293 -10.011 547 HB2 PRO 65 1HB PRO 65 -1.132 -2.893 -11.325 548 HB3 PRO 65 2HB PRO 65 -1.180 -4.525 -10.656 549 HG2 PRO 65 1HG PRO 65 -1.056 -4.078 -13.306 550 HG3 PRO 65 2HG PRO 65 -1.948 -5.452 -12.625 551 HD2 PRO 65 1HD PRO 65 -2.994 -2.817 -13.610 552 HD3 PRO 65 2HD PRO 65 -3.630 -4.453 -13.884 553 H ASN 66 H ASN 66 -1.779 -2.596 -8.801 554 HA ASN 66 HA ASN 66 -3.106 0.026 -8.987 555 HB2 ASN 66 1HB ASN 66 -2.720 -1.757 -6.693 556 HB3 ASN 66 2HB ASN 66 -2.210 -0.096 -6.391 557 HD21 ASN 66 2HD2 ASN 66 -3.729 1.225 -5.685 558 HD22 ASN 66 1HD2 ASN 66 -5.425 1.045 -5.940 559 H ARG 67 H ARG 67 -1.882 1.841 -8.898 560 HA ARG 67 HA ARG 67 0.957 1.649 -8.298 561 HB2 ARG 67 1HB ARG 67 1.590 2.743 -10.438 562 HB3 ARG 67 2HB ARG 67 0.953 1.120 -10.650 563 HG2 ARG 67 1HG ARG 67 -0.765 3.564 -10.977 564 HG3 ARG 67 2HG ARG 67 0.196 2.897 -12.297 565 HD2 ARG 67 1HD ARG 67 -1.018 0.656 -11.498 566 HD3 ARG 67 2HD ARG 67 -2.231 1.824 -10.974 567 HE ARG 67 HE ARG 67 -1.347 2.212 -13.683 568 HH11 ARG 67 1HH1 ARG 67 -3.613 0.478 -11.641 569 HH12 ARG 67 2HH1 ARG 67 -4.755 0.229 -12.916 570 HH21 ARG 67 1HH2 ARG 67 -2.861 1.871 -15.355 571 HH22 ARG 67 2HH2 ARG 67 -4.329 1.015 -15.021 572 H THR 68 H THR 68 1.826 3.538 -7.550 573 HA THR 68 HA THR 68 -0.003 5.842 -7.405 574 HB THR 68 HB THR 68 2.091 4.976 -5.406 575 HG1 THR 68 HG1 THR 68 -0.738 4.859 -5.383 576 HG21 THR 68 3HG2 THR 68 1.607 6.766 -4.075 577 HG22 THR 68 1HG2 THR 68 0.042 7.055 -4.836 578 HG23 THR 68 2HG2 THR 68 1.529 7.504 -5.673 579 H PHE 69 H PHE 69 0.611 7.411 -8.671 580 HA PHE 69 HA PHE 69 3.444 8.187 -8.761 581 HB2 PHE 69 1HB PHE 69 2.636 6.936 -10.859 582 HB3 PHE 69 2HB PHE 69 1.644 8.353 -11.183 583 HD1 PHE 69 HD1 PHE 69 2.969 10.649 -11.122 584 HD2 PHE 69 HD2 PHE 69 4.723 6.827 -11.792 585 HE1 PHE 69 HE1 PHE 69 4.884 11.724 -12.228 586 HE2 PHE 69 HE2 PHE 69 6.640 7.898 -12.899 587 HZ PHE 69 HZ PHE 69 6.724 10.349 -13.118 588 H THR 70 H THR 70 0.170 9.208 -9.746 589 HA THR 70 HA THR 70 0.527 11.723 -8.317 590 HB THR 70 HB THR 70 -0.612 12.749 -10.524 591 HG1 THR 70 HG1 THR 70 -0.476 11.328 -12.061 592 HG21 THR 70 3HG2 THR 70 2.350 12.351 -10.201 593 HG22 THR 70 1HG2 THR 70 1.388 13.666 -9.526 594 HG23 THR 70 2HG2 THR 70 1.578 13.519 -11.273 595 H ASP 71 H ASP 71 -1.117 9.388 -7.819 596 HA ASP 71 HA ASP 71 -3.795 10.605 -8.056 597 HB2 ASP 71 1HB ASP 71 -2.887 7.845 -8.665 598 HB3 ASP 71 2HB ASP 71 -4.429 7.994 -7.832 599 HA PRO 72 HA PRO 72 -4.285 10.250 -3.669 600 HB2 PRO 72 1HB PRO 72 -7.010 9.186 -4.016 601 HB3 PRO 72 2HB PRO 72 -6.487 10.719 -3.314 602 HG2 PRO 72 1HG PRO 72 -7.727 10.602 -5.692 603 HG3 PRO 72 2HG PRO 72 -6.463 11.798 -5.352 604 HD2 PRO 72 1HD PRO 72 -6.279 9.232 -6.891 605 HD3 PRO 72 2HD PRO 72 -5.571 10.818 -7.257 606 HA PRO 73 HA PRO 73 -3.832 6.135 -2.093 607 HB2 PRO 73 1HB PRO 73 -5.450 6.032 0.102 608 HB3 PRO 73 2HB PRO 73 -3.912 6.901 0.064 609 HG2 PRO 73 1HG PRO 73 -6.695 7.956 -0.272 610 HG3 PRO 73 2HG PRO 73 -5.348 8.632 0.663 611 HD2 PRO 73 1HD PRO 73 -6.018 9.587 -1.761 612 HD3 PRO 73 2HD PRO 73 -4.331 9.529 -1.210 613 H PHE 74 H PHE 74 -5.198 4.158 -1.172 614 HA PHE 74 HA PHE 74 -7.691 3.923 -2.728 615 HB2 PHE 74 1HB PHE 74 -5.318 2.706 -3.453 616 HB3 PHE 74 2HB PHE 74 -6.163 1.436 -2.577 617 HD1 PHE 74 HD1 PHE 74 -7.026 4.066 -5.094 618 HD2 PHE 74 HD2 PHE 74 -7.372 0.000 -3.880 619 HE1 PHE 74 HE1 PHE 74 -8.358 3.582 -7.104 620 HE2 PHE 74 HE2 PHE 74 -8.705 -0.489 -5.888 621 HZ PHE 74 HZ PHE 74 -9.200 1.302 -7.504 622 H ARG 75 H ARG 75 -9.060 2.091 -2.068 623 HA ARG 75 HA ARG 75 -8.680 0.671 0.336 624 HB2 ARG 75 1HB ARG 75 -8.990 3.011 1.239 625 HB3 ARG 75 2HB ARG 75 -10.627 2.969 0.599 626 HG2 ARG 75 1HG ARG 75 -11.287 2.067 2.508 627 HG3 ARG 75 2HG ARG 75 -10.354 0.626 2.105 628 HD2 ARG 75 1HD ARG 75 -8.966 1.036 3.791 629 HD3 ARG 75 2HD ARG 75 -8.561 2.603 3.096 630 HE ARG 75 HE ARG 75 -10.262 2.097 5.336 631 HH11 ARG 75 1HH1 ARG 75 -9.685 4.313 2.687 632 HH12 ARG 75 2HH1 ARG 75 -10.400 5.663 3.497 633 HH21 ARG 75 1HH2 ARG 75 -11.202 3.883 6.400 634 HH22 ARG 75 2HH2 ARG 75 -11.260 5.421 5.607 635 H ILE 76 H ILE 76 -9.388 -0.873 -1.278 636 HA ILE 76 HA ILE 76 -12.305 -0.829 -1.722 637 HB ILE 76 HB ILE 76 -10.297 -2.324 -3.407 638 HG12 ILE 76 1HG1 ILE 76 -9.912 0.083 -3.646 639 HG13 ILE 76 2HG1 ILE 76 -10.630 -0.579 -5.109 640 HG21 ILE 76 1HG2 ILE 76 -12.250 -3.397 -3.854 641 HG22 ILE 76 2HG2 ILE 76 -12.417 -2.057 -4.988 642 HG23 ILE 76 3HG2 ILE 76 -13.245 -2.003 -3.431 643 HD11 ILE 76 3HD1 ILE 76 -12.694 0.341 -3.354 644 HD12 ILE 76 1HD1 ILE 76 -12.296 0.865 -4.990 645 HD13 ILE 76 2HD1 ILE 76 -11.498 1.613 -3.606 646 H GLU 77 H GLU 77 -13.487 -2.443 -0.930 647 HA GLU 77 HA GLU 77 -12.181 -4.957 -0.188 648 HB2 GLU 77 1HB GLU 77 -13.407 -4.997 1.952 649 HB3 GLU 77 2HB GLU 77 -12.266 -3.664 1.863 650 HG2 GLU 77 1HG GLU 77 -13.877 -2.228 2.327 651 HG3 GLU 77 2HG GLU 77 -14.781 -2.749 0.907 652 H GLU 78 H GLU 78 -13.297 -6.698 -0.844 653 HA GLU 78 HA GLU 78 -16.185 -6.442 -1.287 654 HB2 GLU 78 1HB GLU 78 -14.167 -6.668 -3.336 655 HB3 GLU 78 2HB GLU 78 -15.247 -8.055 -3.386 656 HG2 GLU 78 1HG GLU 78 -17.163 -6.617 -3.612 657 HG3 GLU 78 2HG GLU 78 -16.153 -5.185 -3.408 658 H GLN 79 H GLN 79 -17.207 -8.599 -1.759 659 HA GLN 79 HA GLN 79 -15.874 -10.737 -0.229 660 HB2 GLN 79 1HB GLN 79 -18.862 -10.434 -0.352 661 HB3 GLN 79 2HB GLN 79 -17.895 -11.313 0.822 662 HG2 GLN 79 1HG GLN 79 -18.265 -9.556 2.144 663 HG3 GLN 79 2HG GLN 79 -17.011 -8.767 1.191 664 HE21 GLN 79 2HE2 GLN 79 -17.523 -6.887 0.307 665 HE22 GLN 79 1HE2 GLN 79 -19.123 -6.309 0.011 666 H GLY 80 H GLY 80 -15.630 -12.628 -1.255 667 HA2 GLY 80 1HA GLY 80 -17.378 -13.994 -2.845 668 HA3 GLY 80 2HA GLY 80 -16.554 -12.919 -3.964 669 H TRP 81 H TRP 81 -14.935 -13.883 -5.002 670 HA TRP 81 HA TRP 81 -13.339 -15.881 -3.535 671 HB2 TRP 81 1HB TRP 81 -14.353 -15.909 -6.365 672 HB3 TRP 81 2HB TRP 81 -12.911 -16.817 -5.922 673 HD1 TRP 81 HD1 TRP 81 -14.190 -17.662 -2.974 674 HE1 TRP 81 HE1 TRP 81 -15.895 -19.590 -2.952 675 HE3 TRP 81 HE3 TRP 81 -15.576 -17.576 -7.897 676 HZ2 TRP 81 HZ2 TRP 81 -17.599 -20.900 -4.781 677 HZ3 TRP 81 HZ3 TRP 81 -17.251 -19.202 -8.678 678 HH2 TRP 81 HH2 TRP 81 -18.240 -20.829 -7.151 679 H GLY 82 H GLY 82 -11.444 -14.991 -3.060 680 HA2 GLY 82 1HA GLY 82 -9.675 -14.099 -5.117 681 HA3 GLY 82 2HA GLY 82 -10.283 -12.749 -4.171 682 H GLY 83 H GLY 83 -7.959 -15.216 -4.363 683 HA2 GLY 83 1HA GLY 83 -6.835 -14.364 -1.809 684 HA3 GLY 83 2HA GLY 83 -7.234 -16.068 -1.954 685 H PHE 84 H PHE 84 -4.957 -13.608 -2.683 686 HA PHE 84 HA PHE 84 -3.069 -15.590 -3.656 687 HB2 PHE 84 1HB PHE 84 -4.262 -13.476 -5.379 688 HB3 PHE 84 2HB PHE 84 -2.534 -13.756 -5.543 689 HD1 PHE 84 HD2 PHE 84 -1.730 -16.057 -6.172 690 HD2 PHE 84 HD1 PHE 84 -5.835 -14.938 -6.336 691 HE1 PHE 84 HE2 PHE 84 -2.184 -17.953 -7.671 692 HE2 PHE 84 HE1 PHE 84 -6.292 -16.832 -7.838 693 HZ PHE 84 HZ PHE 84 -4.465 -18.342 -8.508 694 HA PRO 85 HA PRO 85 0.151 -13.245 -1.740 695 HB2 PRO 85 1HB PRO 85 1.456 -12.743 -4.371 696 HB3 PRO 85 2HB PRO 85 2.119 -13.477 -2.906 697 HG2 PRO 85 1HG PRO 85 1.484 -14.987 -4.993 698 HG3 PRO 85 2HG PRO 85 1.144 -15.542 -3.344 699 HD2 PRO 85 1HD PRO 85 -0.723 -14.405 -5.387 700 HD3 PRO 85 2HD PRO 85 -0.982 -15.735 -4.239 701 H LEU 86 H LEU 86 1.463 -11.136 -1.843 702 HA LEU 86 HA LEU 86 0.147 -8.955 -3.254 703 HB2 LEU 86 1HB LEU 86 -0.464 -9.594 -0.562 704 HB3 LEU 86 2HB LEU 86 0.548 -8.165 -0.516 705 HG LEU 86 HG LEU 86 -1.172 -7.339 -2.374 706 HD11 LEU 86 1HD1 LEU 86 -2.473 -9.361 -2.479 707 HD12 LEU 86 2HD1 LEU 86 -3.450 -8.083 -1.759 708 HD13 LEU 86 3HD1 LEU 86 -2.736 -9.326 -0.735 709 HD21 LEU 86 3HD2 LEU 86 -1.035 -5.920 -0.607 710 HD22 LEU 86 1HD2 LEU 86 -1.178 -7.210 0.586 711 HD23 LEU 86 2HD2 LEU 86 -2.613 -6.621 -0.252 712 H ASP 87 H ASP 87 1.482 -7.110 -3.466 713 HA ASP 87 HA ASP 87 4.097 -7.165 -2.175 714 HB2 ASP 87 1HB ASP 87 3.974 -6.817 -5.167 715 HB3 ASP 87 2HB ASP 87 5.378 -7.104 -4.148 716 H ILE 88 H ILE 88 4.594 -5.201 -1.458 717 HA ILE 88 HA ILE 88 3.451 -2.862 -2.850 718 HB ILE 88 HB ILE 88 4.015 -2.919 0.108 719 HG12 ILE 88 1HG1 ILE 88 2.311 -4.639 -0.399 720 HG13 ILE 88 2HG1 ILE 88 1.634 -3.289 0.505 721 HG21 ILE 88 1HG2 ILE 88 3.795 -0.720 -0.329 722 HG22 ILE 88 2HG2 ILE 88 2.074 -1.092 -0.267 723 HG23 ILE 88 3HG2 ILE 88 2.898 -0.992 -1.822 724 HD11 ILE 88 3HD1 ILE 88 1.061 -4.221 -2.223 725 HD12 ILE 88 1HD1 ILE 88 1.114 -2.472 -1.998 726 HD13 ILE 88 2HD1 ILE 88 0.009 -3.452 -1.035 727 H SER 89 H SER 89 4.908 -1.439 -3.581 728 HA SER 89 HA SER 89 7.564 -1.365 -2.304 729 HB2 SER 89 1HB SER 89 8.569 -1.010 -4.537 730 HB3 SER 89 2HB SER 89 7.767 -2.575 -4.408 731 HG SER 89 HG SER 89 6.049 -1.766 -5.590 732 H VAL 90 H VAL 90 8.579 0.624 -2.155 733 HA VAL 90 HA VAL 90 7.108 2.963 -3.142 734 HB VAL 90 HB VAL 90 6.662 2.444 -0.666 735 HG11 VAL 90 1HG1 VAL 90 9.487 3.433 -0.453 736 HG12 VAL 90 2HG1 VAL 90 8.822 1.908 0.130 737 HG13 VAL 90 3HG1 VAL 90 8.343 3.425 0.889 738 HG21 VAL 90 3HG2 VAL 90 7.276 5.040 -0.193 739 HG22 VAL 90 1HG2 VAL 90 5.858 4.499 -1.089 740 HG23 VAL 90 2HG2 VAL 90 7.310 5.000 -1.955 741 H PHE 91 H PHE 91 8.347 4.509 -4.022 742 HA PHE 91 HA PHE 91 11.240 4.492 -3.501 743 HB2 PHE 91 1HB PHE 91 9.846 4.188 -6.114 744 HB3 PHE 91 2HB PHE 91 11.277 5.204 -6.085 745 HD1 PHE 91 HD2 PHE 91 10.119 1.831 -5.004 746 HD2 PHE 91 HD1 PHE 91 13.337 4.232 -6.412 747 HE1 PHE 91 HE2 PHE 91 11.533 -0.174 -5.180 748 HE2 PHE 91 HE1 PHE 91 14.756 2.231 -6.593 749 HZ PHE 91 HZ PHE 91 13.855 0.024 -5.975 750 H LEU 92 H LEU 92 12.303 6.516 -3.955 751 HA LEU 92 HA LEU 92 10.599 8.845 -4.374 752 HB2 LEU 92 1HB LEU 92 11.483 9.991 -2.389 753 HB3 LEU 92 2HB LEU 92 10.566 8.561 -1.967 754 HG LEU 92 HG LEU 92 13.551 8.405 -2.176 755 HD11 LEU 92 1HD1 LEU 92 11.976 9.832 -0.128 756 HD12 LEU 92 2HD1 LEU 92 13.650 10.052 -0.634 757 HD13 LEU 92 3HD1 LEU 92 13.225 8.739 0.464 758 HD21 LEU 92 3HD2 LEU 92 11.362 6.871 -0.829 759 HD22 LEU 92 1HD2 LEU 92 13.025 6.759 -0.258 760 HD23 LEU 92 2HD2 LEU 92 12.628 6.294 -1.911 761 H LEU 93 H LEU 93 12.674 10.715 -3.562 762 HA LEU 93 HA LEU 93 14.468 10.331 -5.841 763 HB2 LEU 93 1HB LEU 93 15.049 12.833 -5.151 764 HB3 LEU 93 2HB LEU 93 13.712 12.428 -6.198 765 HG LEU 93 HG LEU 93 13.238 14.165 -4.455 766 HD11 LEU 93 1HD1 LEU 93 11.649 11.937 -5.274 767 HD12 LEU 93 2HD1 LEU 93 11.162 13.598 -4.945 768 HD13 LEU 93 3HD1 LEU 93 11.200 12.416 -3.637 769 HD21 LEU 93 3HD2 LEU 93 13.909 13.769 -2.376 770 HD22 LEU 93 1HD2 LEU 93 14.178 12.058 -2.708 771 HD23 LEU 93 2HD2 LEU 93 12.574 12.623 -2.248 772 H GLU 94 H GLU 94 14.953 8.796 -3.548 773 HA GLU 94 HA GLU 94 17.700 9.301 -3.109 774 HB2 GLU 94 1HB GLU 94 16.063 10.770 -1.416 775 HB3 GLU 94 2HB GLU 94 16.476 9.359 -0.453 776 HG2 GLU 94 1HG GLU 94 18.793 9.813 -0.612 777 HG3 GLU 94 2HG GLU 94 18.536 11.033 -1.859 778 H LYS 95 H LYS 95 18.130 7.876 -0.765 779 HA LYS 95 HA LYS 95 16.772 5.305 -1.243 780 HB2 LYS 95 1HB LYS 95 19.724 5.687 -0.701 781 HB3 LYS 95 2HB LYS 95 18.906 4.142 -0.872 782 HG2 LYS 95 1HG LYS 95 19.762 4.356 -2.965 783 HG3 LYS 95 2HG LYS 95 18.209 5.160 -3.206 784 HD2 LYS 95 1HD LYS 95 19.644 7.267 -2.410 785 HD3 LYS 95 2HD LYS 95 20.949 6.295 -3.093 786 HE2 LYS 95 1HE LYS 95 18.425 6.728 -4.638 787 HE3 LYS 95 2HE LYS 95 19.668 7.978 -4.604 788 HZ1 LYS 95 3HZ LYS 95 20.547 5.261 -5.213 789 HZ2 LYS 95 1HZ LYS 95 21.075 6.740 -5.846 790 HZ3 LYS 95 2HZ LYS 95 19.636 6.048 -6.401 791 H ALA 96 H ALA 96 15.971 7.113 0.717 792 HA ALA 96 HA ALA 96 16.977 5.903 3.210 793 HB1 ALA 96 3HB ALA 96 17.053 8.484 2.719 794 HB2 ALA 96 1HB ALA 96 16.663 7.873 4.327 795 HB3 ALA 96 2HB ALA 96 15.374 8.408 3.248 796 H GLY 97 H GLY 97 14.103 6.502 1.294 797 HA2 GLY 97 1HA GLY 97 12.479 5.194 3.380 798 HA3 GLY 97 2HA GLY 97 11.849 6.342 2.210 799 H GLU 98 H GLU 98 13.817 4.711 0.296 800 HA GLU 98 HA GLU 98 11.848 3.303 -1.062 801 HB2 GLU 98 1HB GLU 98 14.138 4.016 -1.909 802 HB3 GLU 98 2HB GLU 98 14.778 2.587 -1.112 803 HG2 GLU 98 1HG GLU 98 12.523 2.302 -3.041 804 HG3 GLU 98 2HG GLU 98 14.163 2.538 -3.640 805 H ARG 99 H ARG 99 10.657 1.725 -0.184 806 HA ARG 99 HA ARG 99 12.051 -0.609 0.897 807 HB2 ARG 99 1HB ARG 99 10.711 1.254 2.530 808 HB3 ARG 99 2HB ARG 99 9.661 -0.154 2.436 809 HG2 ARG 99 1HG ARG 99 12.550 -0.582 2.990 810 HG3 ARG 99 2HG ARG 99 11.524 0.056 4.277 811 HD2 ARG 99 1HD ARG 99 10.428 -1.895 4.549 812 HD3 ARG 99 2HD ARG 99 10.413 -2.247 2.821 813 HE ARG 99 HE ARG 99 12.317 -3.483 3.093 814 HH11 ARG 99 1HH1 ARG 99 11.882 -1.478 5.933 815 HH12 ARG 99 2HH1 ARG 99 13.158 -2.241 6.821 816 HH21 ARG 99 1HH2 ARG 99 14.003 -4.483 4.269 817 HH22 ARG 99 2HH2 ARG 99 14.362 -3.948 5.876 818 H LYS 100 H LYS 100 10.981 -2.566 0.666 819 HA LYS 100 HA LYS 100 8.365 -2.546 -0.656 820 HB2 LYS 100 1HB LYS 100 9.226 -4.460 -2.119 821 HB3 LYS 100 2HB LYS 100 9.746 -2.836 -2.540 822 HG2 LYS 100 1HG LYS 100 11.620 -4.040 -0.720 823 HG3 LYS 100 2HG LYS 100 11.344 -5.090 -2.111 824 HD2 LYS 100 1HD LYS 100 11.585 -2.731 -3.372 825 HD3 LYS 100 2HD LYS 100 12.600 -2.416 -1.963 826 HE2 LYS 100 1HE LYS 100 14.110 -3.294 -3.482 827 HE3 LYS 100 2HE LYS 100 13.670 -4.707 -2.525 828 HZ1 LYS 100 3HZ LYS 100 12.337 -4.029 -5.087 829 HZ2 LYS 100 1HZ LYS 100 12.271 -5.491 -4.237 830 HZ3 LYS 100 2HZ LYS 100 13.704 -5.021 -5.003 831 H ILE 101 H ILE 101 6.988 -3.861 0.377 832 HA ILE 101 HA ILE 101 8.093 -6.187 1.801 833 HB ILE 101 HB ILE 101 7.611 -4.439 3.445 834 HG12 ILE 101 1HG1 ILE 101 5.556 -6.646 3.649 835 HG13 ILE 101 2HG1 ILE 101 7.276 -6.892 3.936 836 HG21 ILE 101 1HG2 ILE 101 5.780 -3.364 2.104 837 HG22 ILE 101 2HG2 ILE 101 5.441 -3.551 3.825 838 HG23 ILE 101 3HG2 ILE 101 4.714 -4.656 2.658 839 HD11 ILE 101 3HD1 ILE 101 6.273 -4.675 5.478 840 HD12 ILE 101 1HD1 ILE 101 7.105 -6.138 6.008 841 HD13 ILE 101 2HD1 ILE 101 5.355 -6.149 5.789 842 HA PRO 102 HA PRO 102 4.782 -8.168 -0.451 843 HB2 PRO 102 1HB PRO 102 5.624 -10.678 -0.151 844 HB3 PRO 102 2HB PRO 102 6.519 -9.535 -1.161 845 HG2 PRO 102 1HG PRO 102 7.118 -10.500 1.598 846 HG3 PRO 102 2HG PRO 102 8.230 -10.144 0.267 847 HD2 PRO 102 1HD PRO 102 7.634 -8.441 2.406 848 HD3 PRO 102 2HD PRO 102 8.418 -7.969 0.887 849 H HIS 103 H HIS 103 3.036 -9.637 0.001 850 HA HIS 103 HA HIS 103 2.643 -10.505 2.750 851 HB2 HIS 103 1HB HIS 103 0.985 -8.398 1.386 852 HB3 HIS 103 2HB HIS 103 0.285 -9.423 2.633 853 HD1 HIS 103 HD1 HIS 103 2.728 -6.639 2.124 854 HD2 HIS 103 HD2 HIS 103 1.174 -8.907 5.242 855 HE1 HIS 103 HE1 HIS 103 3.424 -5.454 4.230 856 HE2 HIS 103 HE2 HIS 103 2.459 -6.836 6.105 857 H ASP 104 H ASP 104 0.411 -11.647 2.918 858 HA ASP 104 HA ASP 104 -0.210 -13.025 0.393 859 HB2 ASP 104 1HB ASP 104 0.688 -14.188 2.970 860 HB3 ASP 104 2HB ASP 104 -0.621 -15.029 2.144 861 H LEU 105 H LEU 105 -2.347 -13.610 0.083 862 HA LEU 105 HA LEU 105 -4.246 -12.837 2.195 863 HB2 LEU 105 1HB LEU 105 -4.139 -11.043 0.543 864 HB3 LEU 105 2HB LEU 105 -4.455 -12.187 -0.747 865 HG LEU 105 HG LEU 105 -6.655 -12.640 0.659 866 HD11 LEU 105 1HD1 LEU 105 -7.484 -10.458 1.562 867 HD12 LEU 105 2HD1 LEU 105 -5.831 -9.859 1.458 868 HD13 LEU 105 3HD1 LEU 105 -6.209 -11.219 2.514 869 HD21 LEU 105 3HD2 LEU 105 -6.535 -11.872 -1.667 870 HD22 LEU 105 1HD2 LEU 105 -6.293 -10.218 -1.100 871 HD23 LEU 105 2HD2 LEU 105 -7.810 -11.051 -0.767 872 H ASN 106 H ASN 106 -4.547 -15.015 2.738 873 HA ASN 106 HA ASN 106 -6.595 -16.356 1.320 874 HB2 ASN 106 1HB ASN 106 -4.513 -16.853 -0.102 875 HB3 ASN 106 2HB ASN 106 -3.979 -17.857 1.241 876 HD21 ASN 106 2HD2 ASN 106 -7.056 -17.320 -0.469 877 HD22 ASN 106 1HD2 ASN 106 -7.386 -18.993 -0.741 878 H PHE 107 H PHE 107 -6.277 -15.518 3.951 879 HA PHE 107 HA PHE 107 -6.472 -18.078 5.354 880 HB2 PHE 107 1HB PHE 107 -4.824 -15.733 6.328 881 HB3 PHE 107 2HB PHE 107 -5.178 -17.179 7.267 882 HD1 PHE 107 HD1 PHE 107 -3.310 -15.832 4.411 883 HD2 PHE 107 HD2 PHE 107 -4.032 -19.240 6.858 884 HE1 PHE 107 HE1 PHE 107 -1.321 -16.928 3.466 885 HE2 PHE 107 HE2 PHE 107 -2.043 -20.339 5.919 886 HZ PHE 107 HZ PHE 107 -0.686 -19.184 4.220 887 H LEU 108 H LEU 108 -8.209 -18.177 6.652 888 HA LEU 108 HA LEU 108 -10.130 -16.155 6.726 889 HB2 LEU 108 1HB LEU 108 -11.315 -17.500 8.315 890 HB3 LEU 108 2HB LEU 108 -10.579 -18.563 7.134 891 HG LEU 108 HG LEU 108 -8.660 -18.608 9.026 892 HD11 LEU 108 1HD1 LEU 108 -10.990 -18.798 10.819 893 HD12 LEU 108 2HD1 LEU 108 -10.512 -17.166 10.351 894 HD13 LEU 108 3HD1 LEU 108 -9.348 -18.233 11.137 895 HD21 LEU 108 3HD2 LEU 108 -9.742 -20.535 7.972 896 HD22 LEU 108 1HD2 LEU 108 -11.146 -20.314 9.018 897 HD23 LEU 108 2HD2 LEU 108 -9.585 -20.748 9.716 898 H GLN 109 H GLN 109 -10.451 -14.430 7.986 899 HA GLN 109 HA GLN 109 -10.178 -12.842 9.580 900 HB2 GLN 109 1HB GLN 109 -10.437 -15.022 11.031 901 HB3 GLN 109 2HB GLN 109 -8.734 -14.754 11.376 902 HG2 GLN 109 1HG GLN 109 -9.510 -13.519 13.067 903 HG3 GLN 109 2HG GLN 109 -9.732 -12.283 11.831 904 HE21 GLN 109 2HE2 GLN 109 -11.354 -14.856 13.607 905 HE22 GLN 109 1HE2 GLN 109 -12.948 -14.207 13.449 906 H GLU 110 H GLU 110 -8.439 -12.596 7.634 907 HA GLU 110 HA GLU 110 -5.710 -12.563 8.601 908 HB2 GLU 110 1HB GLU 110 -6.213 -13.136 6.241 909 HB3 GLU 110 2HB GLU 110 -6.857 -11.520 6.008 910 HG2 GLU 110 1HG GLU 110 -4.842 -10.808 5.454 911 HG3 GLU 110 2HG GLU 110 -4.269 -11.197 7.073 912 H SER 111 H SER 111 -4.624 -10.832 9.299 913 HA SER 111 HA SER 111 -5.732 -8.157 8.963 914 HB2 SER 111 1HB SER 111 -6.517 -9.258 11.181 915 HB3 SER 111 2HB SER 111 -4.851 -9.018 11.711 916 HG SER 111 HG SER 111 -5.103 -6.807 11.390 917 H TYR 112 H TYR 112 -3.779 -8.644 7.482 918 HA TYR 112 HA TYR 112 -1.269 -8.071 8.883 919 HB2 TYR 112 1HB TYR 112 -1.963 -9.584 6.444 920 HB3 TYR 112 2HB TYR 112 -0.508 -8.599 6.327 921 HD1 TYR 112 HD2 TYR 112 -2.126 -11.190 8.465 922 HD2 TYR 112 HD1 TYR 112 1.510 -9.399 7.171 923 HE1 TYR 112 HE2 TYR 112 -0.854 -12.929 9.649 924 HE2 TYR 112 HE1 TYR 112 2.790 -11.132 8.350 925 HH TYR 112 HH TYR 112 1.453 -13.976 9.457 926 H GLU 113 H GLU 113 -0.601 -6.076 8.876 927 HA GLU 113 HA GLU 113 -0.825 -4.426 6.514 928 HB2 GLU 113 1HB GLU 113 -2.219 -2.782 7.355 929 HB3 GLU 113 2HB GLU 113 -2.958 -4.237 7.991 930 HG2 GLU 113 1HG GLU 113 -1.200 -3.555 9.979 931 HG3 GLU 113 2HG GLU 113 -1.739 -1.988 9.389 932 H VAL 114 H VAL 114 0.660 -2.725 6.451 933 HA VAL 114 HA VAL 114 2.514 -2.562 8.737 934 HB VAL 114 HB VAL 114 4.380 -2.226 7.163 935 HG11 VAL 114 1HG1 VAL 114 3.299 -4.796 6.230 936 HG12 VAL 114 2HG1 VAL 114 3.312 -4.561 7.977 937 HG13 VAL 114 3HG1 VAL 114 4.812 -4.430 7.058 938 HG21 VAL 114 3HG2 VAL 114 2.535 -1.648 5.286 939 HG22 VAL 114 1HG2 VAL 114 2.891 -3.324 4.869 940 HG23 VAL 114 2HG2 VAL 114 4.189 -2.132 4.917 941 H GLU 115 H GLU 115 3.575 -0.581 9.076 942 HA GLU 115 HA GLU 115 2.584 1.728 7.567 943 HB2 GLU 115 1HB GLU 115 2.446 1.350 10.556 944 HB3 GLU 115 2HB GLU 115 2.371 2.938 9.803 945 HG2 GLU 115 1HG GLU 115 0.224 2.692 9.326 946 HG3 GLU 115 2HG GLU 115 0.508 1.135 8.554 947 H HIS 116 H HIS 116 4.387 2.550 6.717 948 HA HIS 116 HA HIS 116 6.770 2.801 8.438 949 HB2 HIS 116 1HB HIS 116 6.465 1.721 5.794 950 HB3 HIS 116 2HB HIS 116 7.522 3.127 5.729 951 HD1 HIS 116 HD1 HIS 116 7.366 -0.385 6.902 952 HD2 HIS 116 HD2 HIS 116 9.945 2.860 7.189 953 HE1 HIS 116 HE1 HIS 116 9.541 -1.327 7.741 954 HE2 HIS 116 HE2 HIS 116 11.030 0.682 8.059 955 H VAL 117 H VAL 117 8.087 4.702 8.159 956 HA VAL 117 HA VAL 117 6.564 7.020 7.156 957 HB VAL 117 HB VAL 117 6.758 7.050 9.598 958 HG11 VAL 117 1HG1 VAL 117 9.294 7.657 10.290 959 HG12 VAL 117 2HG1 VAL 117 9.587 6.494 8.999 960 HG13 VAL 117 3HG1 VAL 117 8.607 6.037 10.393 961 HG21 VAL 117 3HG2 VAL 117 7.380 9.294 9.821 962 HG22 VAL 117 1HG2 VAL 117 6.884 9.149 8.136 963 HG23 VAL 117 2HG2 VAL 117 8.598 9.177 8.552 964 H ILE 118 H ILE 118 7.626 8.594 5.986 965 HA ILE 118 HA ILE 118 10.465 8.154 5.363 966 HB ILE 118 HB ILE 118 8.407 8.826 3.256 967 HG12 ILE 118 1HG1 ILE 118 9.223 6.396 2.499 968 HG13 ILE 118 2HG1 ILE 118 9.423 6.200 4.238 969 HG21 ILE 118 1HG2 ILE 118 10.310 9.576 2.298 970 HG22 ILE 118 2HG2 ILE 118 10.526 7.868 1.914 971 HG23 ILE 118 3HG2 ILE 118 11.348 8.569 3.308 972 HD11 ILE 118 3HD1 ILE 118 7.269 5.753 4.405 973 HD12 ILE 118 1HD1 ILE 118 7.053 6.039 2.679 974 HD13 ILE 118 2HD1 ILE 118 6.893 7.374 3.819 975 H GLN 119 H GLN 119 11.460 9.942 6.063 976 HA GLN 119 HA GLN 119 10.219 12.556 5.483 977 HB2 GLN 119 1HB GLN 119 11.802 11.669 7.896 978 HB3 GLN 119 2HB GLN 119 11.522 13.363 7.518 979 HG2 GLN 119 1HG GLN 119 9.316 13.271 8.074 980 HG3 GLN 119 2HG GLN 119 9.164 11.568 7.647 981 HE21 GLN 119 2HE2 GLN 119 8.064 12.541 9.960 982 HE22 GLN 119 1HE2 GLN 119 8.923 11.914 11.322 983 H ILE 120 H ILE 120 11.338 13.741 4.087 984 HA ILE 120 HA ILE 120 14.257 13.689 4.132 985 HB ILE 120 HB ILE 120 14.288 13.567 1.596 986 HG12 ILE 120 1HG1 ILE 120 11.992 11.902 1.296 987 HG13 ILE 120 2HG1 ILE 120 11.466 13.422 2.009 988 HG21 ILE 120 1HG2 ILE 120 14.804 11.368 1.707 989 HG22 ILE 120 2HG2 ILE 120 13.313 10.943 2.546 990 HG23 ILE 120 3HG2 ILE 120 14.652 11.666 3.438 991 HD11 ILE 120 3HD1 ILE 120 13.271 13.468 -0.355 992 HD12 ILE 120 1HD1 ILE 120 12.073 14.648 0.172 993 HD13 ILE 120 2HD1 ILE 120 11.553 13.137 -0.571 994 HA PRO 121 HA PRO 121 12.455 17.923 3.501 995 HB2 PRO 121 1HB PRO 121 14.234 18.801 5.607 996 HB3 PRO 121 2HB PRO 121 12.474 18.845 5.554 997 HG2 PRO 121 1HG PRO 121 13.905 17.212 7.217 998 HG3 PRO 121 2HG PRO 121 12.265 16.857 6.650 999 HD2 PRO 121 1HD PRO 121 14.880 15.770 5.697 1000 HD3 PRO 121 2HD PRO 121 13.315 14.952 5.883 1001 H LEU 122 H LEU 122 15.424 16.457 3.017 1002 HA LEU 122 HA LEU 122 17.159 16.982 1.641 1003 HB2 LEU 122 1HB LEU 122 15.336 18.481 0.535 1004 HB3 LEU 122 2HB LEU 122 16.183 19.796 1.326 1005 HG LEU 122 HG LEU 122 18.267 18.587 0.104 1006 HD11 LEU 122 1HD1 LEU 122 17.071 16.882 -1.010 1007 HD12 LEU 122 2HD1 LEU 122 17.462 18.089 -2.235 1008 HD13 LEU 122 3HD1 LEU 122 15.832 18.008 -1.563 1009 HD21 LEU 122 3HD2 LEU 122 18.380 20.492 -1.116 1010 HD22 LEU 122 1HD2 LEU 122 17.086 20.989 -0.027 1011 HD23 LEU 122 2HD2 LEU 122 16.699 20.390 -1.639 1012 H ASN 123 H ASN 123 16.376 19.980 3.442 1013 HA ASN 123 HA ASN 123 19.144 19.961 4.447 1014 HB2 ASN 123 1HB ASN 123 18.243 21.934 3.021 1015 HB3 ASN 123 2HB ASN 123 17.373 22.389 4.484 1016 HD21 ASN 123 2HD2 ASN 123 20.326 22.478 2.824 1017 HD22 ASN 123 1HD2 ASN 123 21.282 23.198 4.070 Start of MODEL 20 1 H1 MET 1 1H MET 1 17.453 28.420 1.530 2 H2 MET 1 2H MET 1 18.975 28.010 0.851 3 H3 MET 1 3H MET 1 18.477 27.304 2.334 4 HA MET 1 HA MET 1 17.042 26.956 -0.210 5 HB2 MET 1 1HB MET 1 19.396 26.113 -0.289 6 HB3 MET 1 2HB MET 1 19.046 25.105 1.107 7 HG2 MET 1 1HG MET 1 18.574 23.532 -0.396 8 HG3 MET 1 2HG MET 1 17.047 24.390 -0.594 9 HE1 MET 1 3HE MET 1 18.984 22.530 -3.094 10 HE2 MET 1 1HE MET 1 20.131 23.104 -1.883 11 HE3 MET 1 2HE MET 1 20.280 23.635 -3.557 12 H VAL 2 H VAL 2 14.993 26.765 0.563 13 HA VAL 2 HA VAL 2 14.494 25.266 3.014 14 HB VAL 2 HB VAL 2 12.477 26.654 1.240 15 HG11 VAL 2 1HG1 VAL 2 11.982 26.295 4.122 16 HG12 VAL 2 2HG1 VAL 2 11.986 24.819 3.159 17 HG13 VAL 2 3HG1 VAL 2 10.886 26.134 2.749 18 HG21 VAL 2 3HG2 VAL 2 13.198 27.901 3.803 19 HG22 VAL 2 1HG2 VAL 2 12.883 28.635 2.231 20 HG23 VAL 2 2HG2 VAL 2 14.466 27.940 2.578 21 H ALA 3 H ALA 3 13.686 23.247 3.093 22 HA ALA 3 HA ALA 3 12.178 22.095 0.945 23 HB1 ALA 3 3HB ALA 3 14.564 21.941 0.150 24 HB2 ALA 3 1HB ALA 3 13.689 20.412 0.230 25 HB3 ALA 3 2HB ALA 3 14.856 20.828 1.486 26 H THR 4 H THR 4 10.651 21.021 2.012 27 HA THR 4 HA THR 4 11.441 19.263 4.225 28 HB THR 4 HB THR 4 8.986 20.065 5.076 29 HG1 THR 4 HG1 THR 4 10.220 22.452 4.181 30 HG21 THR 4 3HG2 THR 4 10.480 21.877 6.391 31 HG22 THR 4 1HG2 THR 4 11.731 20.776 5.813 32 HG23 THR 4 2HG2 THR 4 10.404 20.162 6.797 33 H VAL 5 H VAL 5 10.790 17.259 3.833 34 HA VAL 5 HA VAL 5 8.257 16.845 2.398 35 HB VAL 5 HB VAL 5 10.723 15.190 1.862 36 HG11 VAL 5 1HG1 VAL 5 9.470 13.947 0.456 37 HG12 VAL 5 2HG1 VAL 5 8.492 15.320 -0.061 38 HG13 VAL 5 3HG1 VAL 5 8.145 14.513 1.469 39 HG21 VAL 5 3HG2 VAL 5 9.859 17.751 0.699 40 HG22 VAL 5 1HG2 VAL 5 10.280 16.496 -0.468 41 HG23 VAL 5 2HG2 VAL 5 11.454 17.004 0.746 42 H LYS 6 H LYS 6 6.936 15.666 3.582 43 HA LYS 6 HA LYS 6 8.065 13.646 5.407 44 HB2 LYS 6 1HB LYS 6 5.864 15.627 5.772 45 HB3 LYS 6 2HB LYS 6 5.693 14.057 6.545 46 HG2 LYS 6 1HG LYS 6 6.695 15.269 8.207 47 HG3 LYS 6 2HG LYS 6 8.101 14.542 7.426 48 HD2 LYS 6 1HD LYS 6 8.903 16.628 7.301 49 HD3 LYS 6 2HD LYS 6 7.742 16.861 5.994 50 HE2 LYS 6 1HE LYS 6 6.392 18.163 7.248 51 HE3 LYS 6 2HE LYS 6 6.662 17.214 8.708 52 HZ1 LYS 6 3HZ LYS 6 9.029 18.333 8.507 53 HZ2 LYS 6 1HZ LYS 6 7.740 19.112 9.280 54 HZ3 LYS 6 2HZ LYS 6 8.143 19.518 7.689 55 H ARG 7 H ARG 7 7.831 11.750 4.405 56 HA ARG 7 HA ARG 7 5.239 11.154 3.135 57 HB2 ARG 7 1HB ARG 7 8.045 10.371 2.447 58 HB3 ARG 7 2HB ARG 7 6.727 9.286 2.020 59 HG2 ARG 7 1HG ARG 7 5.664 11.385 0.947 60 HG3 ARG 7 2HG ARG 7 7.297 12.047 1.028 61 HD2 ARG 7 1HD ARG 7 7.349 9.367 -0.018 62 HD3 ARG 7 2HD ARG 7 6.226 10.364 -0.942 63 HE ARG 7 HE ARG 7 9.048 10.487 -1.023 64 HH11 ARG 7 1HH1 ARG 7 6.238 12.578 -1.059 65 HH12 ARG 7 2HH1 ARG 7 7.012 13.813 -1.993 66 HH21 ARG 7 1HH2 ARG 7 10.068 12.126 -2.249 67 HH22 ARG 7 2HH2 ARG 7 9.186 13.557 -2.668 68 H THR 8 H THR 8 4.571 8.868 3.212 69 HA THR 8 HA THR 8 5.634 7.005 5.033 70 HB THR 8 HB THR 8 4.933 8.495 6.792 71 HG1 THR 8 HG1 THR 8 3.728 7.091 7.916 72 HG21 THR 8 3HG2 THR 8 3.285 9.932 6.471 73 HG22 THR 8 1HG2 THR 8 2.158 8.593 6.701 74 HG23 THR 8 2HG2 THR 8 2.688 9.033 5.076 75 H ILE 9 H ILE 9 4.467 5.030 5.022 76 HA ILE 9 HA ILE 9 2.116 4.978 3.252 77 HB ILE 9 HB ILE 9 4.067 4.209 1.994 78 HG12 ILE 9 1HG1 ILE 9 2.658 1.646 2.415 79 HG13 ILE 9 2HG1 ILE 9 1.623 3.034 2.091 80 HG21 ILE 9 1HG2 ILE 9 5.127 2.035 2.620 81 HG22 ILE 9 2HG2 ILE 9 4.329 2.165 4.186 82 HG23 ILE 9 3HG2 ILE 9 5.507 3.381 3.693 83 HD11 ILE 9 3HD1 ILE 9 2.752 1.475 0.196 84 HD12 ILE 9 1HD1 ILE 9 3.929 2.783 0.304 85 HD13 ILE 9 2HD1 ILE 9 2.239 3.143 -0.055 86 H ARG 10 H ARG 10 0.435 3.797 3.911 87 HA ARG 10 HA ARG 10 0.791 1.895 6.127 88 HB2 ARG 10 1HB ARG 10 -0.132 4.213 6.813 89 HB3 ARG 10 2HB ARG 10 -1.604 3.719 5.984 90 HG2 ARG 10 1HG ARG 10 -0.840 1.603 7.706 91 HG3 ARG 10 2HG ARG 10 -0.749 3.109 8.623 92 HD2 ARG 10 1HD ARG 10 -3.087 3.530 7.444 93 HD3 ARG 10 2HD ARG 10 -3.095 1.767 7.384 94 HE ARG 10 HE ARG 10 -3.417 1.720 9.651 95 HH11 ARG 10 1HH1 ARG 10 -2.384 4.939 8.737 96 HH12 ARG 10 2HH1 ARG 10 -2.712 5.621 10.294 97 HH21 ARG 10 1HH2 ARG 10 -3.836 2.622 11.708 98 HH22 ARG 10 2HH2 ARG 10 -3.537 4.305 11.982 99 H ILE 11 H ILE 11 0.248 -0.020 5.318 100 HA ILE 11 HA ILE 11 -2.064 -0.174 3.495 101 HB ILE 11 HB ILE 11 -1.060 -2.371 2.746 102 HG12 ILE 11 1HG1 ILE 11 1.550 -1.310 3.783 103 HG13 ILE 11 2HG1 ILE 11 0.551 -2.348 4.793 104 HG21 ILE 11 1HG2 ILE 11 0.263 -1.358 1.084 105 HG22 ILE 11 2HG2 ILE 11 0.697 -0.013 2.139 106 HG23 ILE 11 3HG2 ILE 11 -0.950 -0.158 1.527 107 HD11 ILE 11 3HD1 ILE 11 2.180 -3.696 3.700 108 HD12 ILE 11 1HD1 ILE 11 1.762 -3.018 2.127 109 HD13 ILE 11 2HD1 ILE 11 0.609 -4.047 2.978 110 H LYS 12 H LYS 12 -3.774 -1.354 4.094 111 HA LYS 12 HA LYS 12 -3.485 -3.112 6.443 112 HB2 LYS 12 1HB LYS 12 -5.258 -0.912 5.970 113 HB3 LYS 12 2HB LYS 12 -6.206 -2.386 6.111 114 HG2 LYS 12 1HG LYS 12 -6.119 -1.981 8.302 115 HG3 LYS 12 2HG LYS 12 -4.491 -2.654 8.204 116 HD2 LYS 12 1HD LYS 12 -4.320 -0.589 9.373 117 HD3 LYS 12 2HD LYS 12 -3.666 -0.321 7.756 118 HE2 LYS 12 1HE LYS 12 -5.019 1.552 8.176 119 HE3 LYS 12 2HE LYS 12 -5.989 0.518 7.130 120 HZ1 LYS 12 3HZ LYS 12 -7.271 1.420 8.984 121 HZ2 LYS 12 1HZ LYS 12 -6.236 0.660 10.087 122 HZ3 LYS 12 2HZ LYS 12 -7.198 -0.268 9.048 123 H THR 13 H THR 13 -4.258 -5.156 6.332 124 HA THR 13 HA THR 13 -5.793 -5.934 3.950 125 HB THR 13 HB THR 13 -3.550 -7.624 5.051 126 HG1 THR 13 HG1 THR 13 -2.390 -6.022 4.241 127 HG21 THR 13 3HG2 THR 13 -5.491 -7.961 2.941 128 HG22 THR 13 1HG2 THR 13 -4.395 -9.128 3.675 129 HG23 THR 13 2HG2 THR 13 -3.835 -8.105 2.353 130 H GLN 14 H GLN 14 -7.685 -6.648 4.691 131 HA GLN 14 HA GLN 14 -7.672 -8.439 7.029 132 HB2 GLN 14 1HB GLN 14 -9.308 -6.048 6.467 133 HB3 GLN 14 2HB GLN 14 -10.199 -7.439 7.067 134 HG2 GLN 14 1HG GLN 14 -8.041 -7.342 8.753 135 HG3 GLN 14 2HG GLN 14 -8.377 -5.637 8.451 136 HE21 GLN 14 2HE2 GLN 14 -10.118 -8.653 9.175 137 HE22 GLN 14 1HE2 GLN 14 -11.229 -7.940 10.288 138 H GLN 15 H GLN 15 -8.219 -10.427 6.491 139 HA GLN 15 HA GLN 15 -9.990 -10.864 4.185 140 HB2 GLN 15 1HB GLN 15 -7.657 -11.789 4.102 141 HB3 GLN 15 2HB GLN 15 -8.074 -12.819 5.462 142 HG2 GLN 15 1HG GLN 15 -8.655 -14.322 3.948 143 HG3 GLN 15 2HG GLN 15 -10.084 -13.331 3.675 144 HE21 GLN 15 2HE2 GLN 15 -9.270 -14.890 1.676 145 HE22 GLN 15 1HE2 GLN 15 -8.550 -13.961 0.413 146 H HIS 16 H HIS 16 -11.717 -12.333 4.350 147 HA HIS 16 HA HIS 16 -12.210 -13.686 6.866 148 HB2 HIS 16 1HB HIS 16 -13.057 -11.421 7.326 149 HB3 HIS 16 2HB HIS 16 -14.099 -11.524 5.913 150 HD1 HIS 16 HD1 HIS 16 -13.792 -12.670 9.441 151 HD2 HIS 16 HD2 HIS 16 -16.369 -13.172 6.220 152 HE1 HIS 16 HE1 HIS 16 -15.863 -13.730 10.396 153 HE2 HIS 16 HE2 HIS 16 -17.371 -14.108 8.412 154 H ILE 17 H ILE 17 -12.954 -15.641 6.328 155 HA ILE 17 HA ILE 17 -14.557 -15.870 3.866 156 HB ILE 17 HB ILE 17 -12.274 -17.046 4.028 157 HG12 ILE 17 1HG1 ILE 17 -14.240 -17.430 2.396 158 HG13 ILE 17 2HG1 ILE 17 -12.972 -18.640 2.483 159 HG21 ILE 17 1HG2 ILE 17 -13.012 -18.010 6.349 160 HG22 ILE 17 2HG2 ILE 17 -11.989 -18.946 5.261 161 HG23 ILE 17 3HG2 ILE 17 -13.716 -19.286 5.354 162 HD11 ILE 17 3HD1 ILE 17 -14.527 -19.837 4.146 163 HD12 ILE 17 1HD1 ILE 17 -14.925 -19.881 2.429 164 HD13 ILE 17 2HD1 ILE 17 -15.777 -18.772 3.503 165 H LEU 18 H LEU 18 -16.561 -16.611 3.977 166 HA LEU 18 HA LEU 18 -17.434 -18.294 6.169 167 HB2 LEU 18 1HB LEU 18 -17.691 -15.628 6.556 168 HB3 LEU 18 2HB LEU 18 -19.201 -15.961 5.732 169 HG LEU 18 HG LEU 18 -19.525 -16.030 8.131 170 HD11 LEU 18 1HD1 LEU 18 -20.780 -17.965 8.230 171 HD12 LEU 18 2HD1 LEU 18 -19.604 -18.901 7.310 172 HD13 LEU 18 3HD1 LEU 18 -20.621 -17.716 6.492 173 HD21 LEU 18 3HD2 LEU 18 -17.575 -18.321 8.230 174 HD22 LEU 18 1HD2 LEU 18 -18.375 -17.520 9.583 175 HD23 LEU 18 2HD2 LEU 18 -17.152 -16.661 8.647 176 HA PRO 19 HA PRO 19 -19.315 -19.565 2.193 177 HB2 PRO 19 1HB PRO 19 -19.651 -22.094 3.682 178 HB3 PRO 19 2HB PRO 19 -18.880 -21.802 2.121 179 HG2 PRO 19 1HG PRO 19 -17.436 -22.374 4.301 180 HG3 PRO 19 2HG PRO 19 -16.857 -21.235 3.072 181 HD2 PRO 19 1HD PRO 19 -18.086 -20.673 5.748 182 HD3 PRO 19 2HD PRO 19 -16.710 -19.880 4.952 183 H GLU 20 H GLU 20 -20.584 -20.852 5.289 184 HA GLU 20 HA GLU 20 -22.700 -21.083 6.098 185 HB2 GLU 20 1HB GLU 20 -22.294 -18.430 5.566 186 HB3 GLU 20 2HB GLU 20 -23.774 -18.741 4.671 187 HG2 GLU 20 1HG GLU 20 -23.640 -19.752 7.447 188 HG3 GLU 20 2HG GLU 20 -23.762 -18.007 7.221 189 H VAL 21 H VAL 21 -22.143 -22.441 3.621 190 HA VAL 21 HA VAL 21 -24.854 -22.535 2.481 191 HB VAL 21 HB VAL 21 -23.313 -21.528 0.862 192 HG11 VAL 21 1HG1 VAL 21 -21.523 -23.539 1.791 193 HG12 VAL 21 2HG1 VAL 21 -21.204 -22.196 0.694 194 HG13 VAL 21 3HG1 VAL 21 -21.752 -23.747 0.056 195 HG21 VAL 21 3HG2 VAL 21 -23.683 -23.156 -1.011 196 HG22 VAL 21 1HG2 VAL 21 -25.121 -22.760 -0.071 197 HG23 VAL 21 2HG2 VAL 21 -24.293 -24.295 0.188 198 HA PRO 22 HA PRO 22 -24.993 -26.778 3.760 199 HB2 PRO 22 1HB PRO 22 -26.475 -27.203 1.212 200 HB3 PRO 22 2HB PRO 22 -26.941 -27.613 2.866 201 HG2 PRO 22 1HG PRO 22 -28.053 -25.542 1.620 202 HG3 PRO 22 2HG PRO 22 -27.641 -25.451 3.343 203 HD2 PRO 22 1HD PRO 22 -26.226 -24.274 0.989 204 HD3 PRO 22 2HD PRO 22 -26.480 -23.594 2.608 205 HA PRO 23 HA PRO 23 -21.945 -29.073 1.516 206 HB2 PRO 23 1HB PRO 23 -22.792 -31.643 1.749 207 HB3 PRO 23 2HB PRO 23 -22.125 -30.727 3.105 208 HG2 PRO 23 1HG PRO 23 -24.985 -31.267 2.408 209 HG3 PRO 23 2HG PRO 23 -24.192 -31.320 3.993 210 HD2 PRO 23 1HD PRO 23 -25.692 -29.217 3.176 211 HD3 PRO 23 2HD PRO 23 -24.301 -29.035 4.262 212 H VAL 24 H VAL 24 -22.299 -28.268 -0.590 213 HA VAL 24 HA VAL 24 -23.829 -30.075 -2.346 214 HB VAL 24 HB VAL 24 -23.391 -27.128 -2.850 215 HG11 VAL 24 1HG1 VAL 24 -24.954 -27.378 -4.637 216 HG12 VAL 24 2HG1 VAL 24 -25.311 -29.040 -4.166 217 HG13 VAL 24 3HG1 VAL 24 -23.726 -28.629 -4.819 218 HG21 VAL 24 3HG2 VAL 24 -25.820 -26.903 -2.318 219 HG22 VAL 24 1HG2 VAL 24 -24.812 -27.300 -0.929 220 HG23 VAL 24 2HG2 VAL 24 -25.786 -28.553 -1.697 221 H GLU 25 H GLU 25 -21.400 -27.479 -2.713 222 HA GLU 25 HA GLU 25 -19.553 -29.345 -3.974 223 HB2 GLU 25 1HB GLU 25 -21.158 -28.198 -5.692 224 HB3 GLU 25 2HB GLU 25 -20.158 -26.780 -5.413 225 HG2 GLU 25 1HG GLU 25 -19.262 -27.804 -7.312 226 HG3 GLU 25 2HG GLU 25 -18.172 -28.243 -5.999 227 H ASN 26 H ASN 26 -17.389 -28.416 -4.253 228 HA ASN 26 HA ASN 26 -16.628 -26.844 -2.006 229 HB2 ASN 26 1HB ASN 26 -15.235 -28.181 -4.253 230 HB3 ASN 26 2HB ASN 26 -14.398 -26.804 -3.542 231 HD21 ASN 26 2HD2 ASN 26 -15.967 -29.867 -2.739 232 HD22 ASN 26 1HD2 ASN 26 -14.981 -30.209 -1.362 233 H PHE 27 H PHE 27 -17.828 -24.918 -2.246 234 HA PHE 27 HA PHE 27 -16.812 -23.098 -4.328 235 HB2 PHE 27 1HB PHE 27 -19.509 -23.741 -3.504 236 HB3 PHE 27 2HB PHE 27 -19.197 -22.021 -3.306 237 HD1 PHE 27 HD2 PHE 27 -19.323 -24.791 -5.728 238 HD2 PHE 27 HD1 PHE 27 -18.936 -20.586 -5.183 239 HE1 PHE 27 HE2 PHE 27 -19.691 -24.447 -8.138 240 HE2 PHE 27 HE1 PHE 27 -19.305 -20.237 -7.589 241 HZ PHE 27 HZ PHE 27 -19.683 -22.167 -9.071 242 HA PRO 28 HA PRO 28 -15.457 -21.453 -0.192 243 HB2 PRO 28 1HB PRO 28 -12.911 -20.908 -0.912 244 HB3 PRO 28 2HB PRO 28 -13.419 -22.508 -0.362 245 HG2 PRO 28 1HG PRO 28 -12.994 -21.507 -3.152 246 HG3 PRO 28 2HG PRO 28 -12.515 -23.057 -2.434 247 HD2 PRO 28 1HD PRO 28 -14.715 -22.772 -4.002 248 HD3 PRO 28 2HD PRO 28 -14.609 -23.968 -2.695 249 H VAL 29 H VAL 29 -16.130 -19.431 0.130 250 HA VAL 29 HA VAL 29 -15.384 -17.360 -1.833 251 HB VAL 29 HB VAL 29 -17.869 -17.336 -0.114 252 HG11 VAL 29 1HG1 VAL 29 -17.642 -15.140 -0.588 253 HG12 VAL 29 2HG1 VAL 29 -18.360 -15.620 -2.125 254 HG13 VAL 29 3HG1 VAL 29 -16.610 -15.435 -1.988 255 HG21 VAL 29 3HG2 VAL 29 -18.162 -17.602 -3.030 256 HG22 VAL 29 1HG2 VAL 29 -19.068 -18.362 -1.721 257 HG23 VAL 29 2HG2 VAL 29 -17.507 -19.020 -2.213 258 H ARG 30 H ARG 30 -13.574 -16.631 -0.800 259 HA ARG 30 HA ARG 30 -13.816 -15.734 1.980 260 HB2 ARG 30 1HB ARG 30 -11.249 -15.308 1.578 261 HB3 ARG 30 2HB ARG 30 -11.849 -16.921 1.921 262 HG2 ARG 30 1HG ARG 30 -11.680 -16.136 -0.927 263 HG3 ARG 30 2HG ARG 30 -10.160 -16.390 -0.065 264 HD2 ARG 30 1HD ARG 30 -11.188 -18.596 0.724 265 HD3 ARG 30 2HD ARG 30 -12.402 -18.340 -0.528 266 HE ARG 30 HE ARG 30 -10.108 -18.087 -1.900 267 HH11 ARG 30 1HH1 ARG 30 -11.202 -20.544 0.346 268 HH12 ARG 30 2HH1 ARG 30 -10.318 -21.813 -0.429 269 HH21 ARG 30 1HH2 ARG 30 -8.948 -19.761 -2.911 270 HH22 ARG 30 2HH2 ARG 30 -9.038 -21.370 -2.279 271 H GLN 31 H GLN 31 -13.218 -13.626 2.610 272 HA GLN 31 HA GLN 31 -13.568 -11.639 0.470 273 HB2 GLN 31 1HB GLN 31 -14.174 -11.602 3.410 274 HB3 GLN 31 2HB GLN 31 -14.030 -10.108 2.501 275 HG2 GLN 31 1HG GLN 31 -16.114 -10.301 1.820 276 HG3 GLN 31 2HG GLN 31 -15.738 -11.846 1.058 277 HE21 GLN 31 2HE2 GLN 31 -16.457 -10.453 4.248 278 HE22 GLN 31 1HE2 GLN 31 -17.392 -11.793 4.807 279 H TRP 32 H TRP 32 -12.429 -9.574 0.763 280 HA TRP 32 HA TRP 32 -10.021 -9.561 2.345 281 HB2 TRP 32 1HB TRP 32 -8.523 -9.218 0.374 282 HB3 TRP 32 2HB TRP 32 -9.198 -10.840 0.471 283 HD1 TRP 32 HD1 TRP 32 -10.003 -7.519 -1.390 284 HE1 TRP 32 HE1 TRP 32 -10.904 -8.126 -3.721 285 HE3 TRP 32 HE3 TRP 32 -9.984 -12.613 -0.969 286 HZ2 TRP 32 HZ2 TRP 32 -11.516 -10.456 -5.194 287 HZ3 TRP 32 HZ3 TRP 32 -10.742 -13.957 -2.884 288 HH2 TRP 32 HH2 TRP 32 -11.491 -12.899 -4.953 289 H SER 33 H SER 33 -9.111 -7.520 2.564 290 HA SER 33 HA SER 33 -10.324 -5.319 1.073 291 HB2 SER 33 1HB SER 33 -10.605 -4.020 3.194 292 HB3 SER 33 2HB SER 33 -11.677 -5.415 3.074 293 HG SER 33 HG SER 33 -10.321 -4.962 5.103 294 H ILE 34 H ILE 34 -8.723 -4.193 0.217 295 HA ILE 34 HA ILE 34 -6.197 -3.962 1.723 296 HB ILE 34 HB ILE 34 -6.451 -3.846 -1.281 297 HG12 ILE 34 1HG1 ILE 34 -7.081 -6.086 -0.549 298 HG13 ILE 34 2HG1 ILE 34 -5.491 -6.126 -1.303 299 HG21 ILE 34 1HG2 ILE 34 -3.940 -4.473 0.195 300 HG22 ILE 34 2HG2 ILE 34 -4.489 -2.801 0.109 301 HG23 ILE 34 3HG2 ILE 34 -4.165 -3.698 -1.373 302 HD11 ILE 34 3HD1 ILE 34 -4.632 -7.057 0.508 303 HD12 ILE 34 1HD1 ILE 34 -6.245 -7.096 1.222 304 HD13 ILE 34 2HD1 ILE 34 -5.187 -5.712 1.505 305 H GLU 35 H GLU 35 -5.731 -1.971 2.363 306 HA GLU 35 HA GLU 35 -6.613 0.296 0.712 307 HB2 GLU 35 1HB GLU 35 -7.073 1.574 2.794 308 HB3 GLU 35 2HB GLU 35 -8.157 0.211 2.554 309 HG2 GLU 35 1HG GLU 35 -5.895 -0.623 4.092 310 HG3 GLU 35 2HG GLU 35 -6.614 0.814 4.815 311 H ILE 36 H ILE 36 -4.895 1.359 0.027 312 HA ILE 36 HA ILE 36 -2.538 1.525 1.790 313 HB ILE 36 HB ILE 36 -2.035 0.202 -0.197 314 HG12 ILE 36 1HG1 ILE 36 -0.786 2.960 -0.231 315 HG13 ILE 36 2HG1 ILE 36 -0.247 1.582 0.721 316 HG21 ILE 36 1HG2 ILE 36 -2.230 1.017 -2.420 317 HG22 ILE 36 2HG2 ILE 36 -2.660 2.634 -1.856 318 HG23 ILE 36 3HG2 ILE 36 -3.783 1.293 -1.633 319 HD11 ILE 36 3HD1 ILE 36 1.155 1.977 -1.242 320 HD12 ILE 36 1HD1 ILE 36 -0.246 1.725 -2.280 321 HD13 ILE 36 2HD1 ILE 36 0.369 0.399 -1.294 322 H VAL 37 H VAL 37 -2.038 3.478 2.481 323 HA VAL 37 HA VAL 37 -2.843 5.813 0.882 324 HB VAL 37 HB VAL 37 -3.311 7.054 2.947 325 HG11 VAL 37 1HG1 VAL 37 -5.302 5.421 3.676 326 HG12 VAL 37 2HG1 VAL 37 -4.854 4.669 2.145 327 HG13 VAL 37 3HG1 VAL 37 -5.324 6.368 2.190 328 HG21 VAL 37 3HG2 VAL 37 -3.062 4.420 4.396 329 HG22 VAL 37 1HG2 VAL 37 -3.417 5.998 5.097 330 HG23 VAL 37 2HG2 VAL 37 -1.825 5.676 4.415 331 H LEU 38 H LEU 38 -1.410 7.532 0.822 332 HA LEU 38 HA LEU 38 1.027 7.369 2.413 333 HB2 LEU 38 1HB LEU 38 2.402 7.788 0.340 334 HB3 LEU 38 2HB LEU 38 1.752 6.172 0.522 335 HG LEU 38 HG LEU 38 -0.167 7.024 -1.011 336 HD11 LEU 38 1HD1 LEU 38 0.064 9.247 -1.363 337 HD12 LEU 38 2HD1 LEU 38 1.085 8.681 -2.684 338 HD13 LEU 38 3HD1 LEU 38 1.818 9.211 -1.171 339 HD21 LEU 38 3HD2 LEU 38 1.151 5.319 -1.863 340 HD22 LEU 38 1HD2 LEU 38 2.621 6.291 -1.812 341 HD23 LEU 38 2HD2 LEU 38 1.393 6.615 -3.035 342 H LEU 39 H LEU 39 2.395 9.327 2.201 343 HA LEU 39 HA LEU 39 0.700 11.698 1.812 344 HB2 LEU 39 1HB LEU 39 2.233 10.936 3.984 345 HB3 LEU 39 2HB LEU 39 3.238 12.127 3.179 346 HG LEU 39 HG LEU 39 1.365 13.745 3.277 347 HD11 LEU 39 1HD1 LEU 39 -0.023 11.382 4.386 348 HD12 LEU 39 2HD1 LEU 39 -0.645 12.718 3.419 349 HD13 LEU 39 3HD1 LEU 39 -0.367 12.937 5.146 350 HD21 LEU 39 3HD2 LEU 39 1.513 14.172 5.686 351 HD22 LEU 39 1HD2 LEU 39 3.085 13.759 4.998 352 HD23 LEU 39 2HD2 LEU 39 2.185 12.558 5.927 353 H ASP 40 H ASP 40 1.673 13.623 0.954 354 HA ASP 40 HA ASP 40 4.200 13.650 -0.327 355 HB2 ASP 40 1HB ASP 40 2.180 12.320 -1.788 356 HB3 ASP 40 2HB ASP 40 2.387 13.891 -2.556 357 H ASP 41 H ASP 41 0.886 14.899 -0.444 358 HA ASP 41 HA ASP 41 1.661 17.514 -1.326 359 HB2 ASP 41 1HB ASP 41 -0.736 18.070 -0.896 360 HB3 ASP 41 2HB ASP 41 -0.509 16.680 -1.954 361 H GLU 42 H GLU 42 2.153 16.105 1.610 362 HA GLU 42 HA GLU 42 1.303 18.294 3.287 363 HB2 GLU 42 1HB GLU 42 1.669 15.677 3.816 364 HB3 GLU 42 2HB GLU 42 3.232 16.300 4.331 365 HG2 GLU 42 1HG GLU 42 1.090 17.946 5.326 366 HG3 GLU 42 2HG GLU 42 0.859 16.262 5.787 367 H GLY 43 H GLY 43 4.267 17.154 1.780 368 HA2 GLY 43 1HA GLY 43 5.629 19.552 2.830 369 HA3 GLY 43 2HA GLY 43 6.457 18.031 2.548 370 H LYS 44 H LYS 44 6.343 17.227 0.236 371 HA LYS 44 HA LYS 44 6.167 19.363 -1.745 372 HB2 LYS 44 1HB LYS 44 8.667 18.091 -0.833 373 HB3 LYS 44 2HB LYS 44 8.464 18.168 -2.578 374 HG2 LYS 44 1HG LYS 44 7.781 20.689 -1.877 375 HG3 LYS 44 2HG LYS 44 8.975 20.306 -0.636 376 HD2 LYS 44 1HD LYS 44 9.742 19.505 -3.353 377 HD3 LYS 44 2HD LYS 44 9.555 21.245 -3.129 378 HE2 LYS 44 1HE LYS 44 10.956 20.537 -0.895 379 HE3 LYS 44 2HE LYS 44 11.597 19.412 -2.091 380 HZ1 LYS 44 3HZ LYS 44 12.243 21.214 -3.479 381 HZ2 LYS 44 1HZ LYS 44 12.814 21.558 -1.924 382 HZ3 LYS 44 2HZ LYS 44 11.441 22.347 -2.514 383 H GLU 45 H GLU 45 4.700 18.523 -3.072 384 HA GLU 45 HA GLU 45 4.785 15.676 -3.729 385 HB2 GLU 45 1HB GLU 45 2.648 16.824 -3.018 386 HB3 GLU 45 2HB GLU 45 2.701 17.710 -4.534 387 HG2 GLU 45 1HG GLU 45 2.973 15.097 -5.336 388 HG3 GLU 45 2HG GLU 45 1.848 14.984 -3.986 389 H ILE 46 H ILE 46 6.923 17.031 -4.779 390 HA ILE 46 HA ILE 46 6.281 17.094 -7.653 391 HB ILE 46 HB ILE 46 8.405 18.800 -6.350 392 HG12 ILE 46 1HG1 ILE 46 6.598 20.602 -7.235 393 HG13 ILE 46 2HG1 ILE 46 5.510 19.291 -6.794 394 HG21 ILE 46 1HG2 ILE 46 8.297 18.012 -8.907 395 HG22 ILE 46 2HG2 ILE 46 8.929 19.579 -8.406 396 HG23 ILE 46 3HG2 ILE 46 7.275 19.447 -9.002 397 HD11 ILE 46 3HD1 ILE 46 5.698 19.775 -4.641 398 HD12 ILE 46 1HD1 ILE 46 6.567 21.233 -5.119 399 HD13 ILE 46 2HD1 ILE 46 7.459 19.763 -4.724 400 HA PRO 47 HA PRO 47 9.159 13.634 -7.651 401 HB2 PRO 47 1HB PRO 47 9.153 14.280 -10.558 402 HB3 PRO 47 2HB PRO 47 8.881 12.732 -9.748 403 HG2 PRO 47 1HG PRO 47 6.849 14.094 -10.799 404 HG3 PRO 47 2HG PRO 47 6.665 13.227 -9.264 405 HD2 PRO 47 1HD PRO 47 6.989 16.152 -9.764 406 HD3 PRO 47 2HD PRO 47 6.008 15.317 -8.545 407 H ALA 48 H ALA 48 11.381 13.242 -8.283 408 HA ALA 48 HA ALA 48 12.898 15.672 -8.968 409 HB1 ALA 48 3HB ALA 48 13.176 13.917 -6.604 410 HB2 ALA 48 1HB ALA 48 13.488 15.643 -6.782 411 HB3 ALA 48 2HB ALA 48 14.668 14.470 -7.364 412 H THR 49 H THR 49 13.750 12.259 -8.303 413 HA THR 49 HA THR 49 15.072 12.195 -10.938 414 HB THR 49 HB THR 49 16.368 10.226 -9.808 415 HG1 THR 49 HG1 THR 49 16.564 10.458 -7.584 416 HG21 THR 49 3HG2 THR 49 18.137 11.587 -9.442 417 HG22 THR 49 1HG2 THR 49 17.178 12.790 -8.578 418 HG23 THR 49 2HG2 THR 49 17.114 12.710 -10.339 419 H ILE 50 H ILE 50 13.734 9.841 -8.583 420 HA ILE 50 HA ILE 50 12.609 8.401 -10.887 421 HB ILE 50 HB ILE 50 13.293 7.281 -8.164 422 HG12 ILE 50 1HG1 ILE 50 14.600 6.821 -10.855 423 HG13 ILE 50 2HG1 ILE 50 15.263 7.822 -9.568 424 HG21 ILE 50 1HG2 ILE 50 11.418 6.351 -9.991 425 HG22 ILE 50 2HG2 ILE 50 12.144 5.439 -8.668 426 HG23 ILE 50 3HG2 ILE 50 12.847 5.358 -10.283 427 HD11 ILE 50 3HD1 ILE 50 16.047 6.058 -8.442 428 HD12 ILE 50 1HD1 ILE 50 15.867 5.213 -9.979 429 HD13 ILE 50 2HD1 ILE 50 14.606 5.090 -8.752 430 H PHE 51 H PHE 51 11.763 8.182 -7.431 431 HA PHE 51 HA PHE 51 9.765 8.264 -6.359 432 HB2 PHE 51 1HB PHE 51 9.947 10.621 -6.619 433 HB3 PHE 51 2HB PHE 51 9.469 10.544 -8.306 434 HD1 PHE 51 HD1 PHE 51 8.057 9.422 -5.024 435 HD2 PHE 51 HD2 PHE 51 7.387 11.389 -8.739 436 HE1 PHE 51 HE1 PHE 51 5.725 9.858 -4.367 437 HE2 PHE 51 HE2 PHE 51 5.057 11.828 -8.087 438 HZ PHE 51 HZ PHE 51 4.221 11.064 -5.901 439 H ASP 52 H ASP 52 8.899 6.268 -6.862 440 HA ASP 52 HA ASP 52 6.533 6.299 -8.478 441 HB2 ASP 52 1HB ASP 52 8.755 5.707 -9.919 442 HB3 ASP 52 2HB ASP 52 8.315 4.102 -9.345 443 H LYS 53 H LYS 53 5.072 5.107 -7.453 444 HA LYS 53 HA LYS 53 6.035 2.909 -5.743 445 HB2 LYS 53 1HB LYS 53 3.490 4.459 -5.280 446 HB3 LYS 53 2HB LYS 53 4.323 3.380 -4.173 447 HG2 LYS 53 1HG LYS 53 4.901 5.408 -3.302 448 HG3 LYS 53 2HG LYS 53 6.258 5.127 -4.393 449 HD2 LYS 53 1HD LYS 53 5.799 7.126 -5.277 450 HD3 LYS 53 2HD LYS 53 4.369 6.377 -5.986 451 HE2 LYS 53 1HE LYS 53 3.323 6.901 -3.635 452 HE3 LYS 53 2HE LYS 53 4.611 8.101 -3.566 453 HZ1 LYS 53 3HZ LYS 53 2.937 9.296 -4.531 454 HZ2 LYS 53 1HZ LYS 53 2.291 7.969 -5.358 455 HZ3 LYS 53 2HZ LYS 53 3.704 8.710 -5.917 456 H VAL 54 H VAL 54 5.097 0.937 -5.949 457 HA VAL 54 HA VAL 54 2.803 0.704 -7.788 458 HB VAL 54 HB VAL 54 5.037 -1.320 -7.707 459 HG11 VAL 54 1HG1 VAL 54 2.531 -1.562 -8.674 460 HG12 VAL 54 2HG1 VAL 54 3.924 -2.412 -9.341 461 HG13 VAL 54 3HG1 VAL 54 3.355 -0.925 -10.096 462 HG21 VAL 54 3HG2 VAL 54 4.850 1.229 -9.234 463 HG22 VAL 54 1HG2 VAL 54 5.503 -0.189 -10.054 464 HG23 VAL 54 2HG2 VAL 54 6.264 0.406 -8.578 465 H ILE 55 H ILE 55 1.216 -0.646 -7.180 466 HA ILE 55 HA ILE 55 1.592 -2.135 -4.666 467 HB ILE 55 HB ILE 55 -1.016 -1.116 -5.789 468 HG12 ILE 55 1HG1 ILE 55 0.107 0.114 -3.349 469 HG13 ILE 55 2HG1 ILE 55 0.945 0.508 -4.845 470 HG21 ILE 55 1HG2 ILE 55 -0.230 -2.507 -3.261 471 HG22 ILE 55 2HG2 ILE 55 -1.557 -2.862 -4.367 472 HG23 ILE 55 3HG2 ILE 55 -1.648 -1.458 -3.304 473 HD11 ILE 55 3HD1 ILE 55 -0.819 2.125 -4.196 474 HD12 ILE 55 1HD1 ILE 55 -2.013 0.848 -4.435 475 HD13 ILE 55 2HD1 ILE 55 -1.044 1.416 -5.796 476 H TYR 56 H TYR 56 0.965 -4.241 -4.523 477 HA TYR 56 HA TYR 56 -0.405 -5.490 -6.777 478 HB2 TYR 56 1HB TYR 56 2.281 -5.602 -6.796 479 HB3 TYR 56 2HB TYR 56 1.953 -6.982 -5.752 480 HD1 TYR 56 HD1 TYR 56 1.066 -5.532 -9.066 481 HD2 TYR 56 HD2 TYR 56 1.384 -9.046 -6.686 482 HE1 TYR 56 HE1 TYR 56 0.602 -6.911 -11.048 483 HE2 TYR 56 HE2 TYR 56 0.922 -10.432 -8.663 484 HH TYR 56 HH TYR 56 1.283 -9.974 -11.355 485 H HIS 57 H HIS 57 -1.884 -6.912 -6.096 486 HA HIS 57 HA HIS 57 -1.532 -8.227 -3.508 487 HB2 HIS 57 1HB HIS 57 -3.924 -7.723 -2.934 488 HB3 HIS 57 2HB HIS 57 -2.863 -6.322 -2.921 489 HD1 HIS 57 HD1 HIS 57 -6.062 -7.374 -4.114 490 HD2 HIS 57 HD2 HIS 57 -3.090 -4.842 -5.531 491 HE1 HIS 57 HE1 HIS 57 -7.185 -5.904 -5.816 492 HE2 HIS 57 HE2 HIS 57 -5.329 -4.501 -6.777 493 H LEU 58 H LEU 58 -1.875 -10.331 -3.681 494 HA LEU 58 HA LEU 58 -2.665 -12.346 -4.354 495 HB2 LEU 58 1HB LEU 58 -4.844 -10.709 -5.659 496 HB3 LEU 58 2HB LEU 58 -4.845 -12.457 -5.560 497 HG LEU 58 HG LEU 58 -4.807 -10.666 -3.134 498 HD11 LEU 58 1HD1 LEU 58 -7.129 -11.887 -4.611 499 HD12 LEU 58 2HD1 LEU 58 -6.847 -10.184 -4.251 500 HD13 LEU 58 3HD1 LEU 58 -7.226 -11.309 -2.948 501 HD21 LEU 58 3HD2 LEU 58 -5.264 -13.611 -3.557 502 HD22 LEU 58 1HD2 LEU 58 -5.674 -12.770 -2.063 503 HD23 LEU 58 2HD2 LEU 58 -3.998 -12.832 -2.607 504 H HIS 59 H HIS 59 -3.511 -13.441 -6.632 505 HA HIS 59 HA HIS 59 -1.275 -13.091 -8.381 506 HB2 HIS 59 1HB HIS 59 -3.345 -15.052 -7.975 507 HB3 HIS 59 2HB HIS 59 -3.222 -14.670 -9.686 508 HD1 HIS 59 HD1 HIS 59 -0.169 -14.620 -7.516 509 HD2 HIS 59 HD2 HIS 59 -2.016 -17.119 -10.277 510 HE1 HIS 59 HE1 HIS 59 1.526 -16.398 -8.054 511 HE2 HIS 59 HE2 HIS 59 0.351 -17.953 -9.651 512 HA PRO 60 HA PRO 60 -2.675 -10.329 -11.524 513 HB2 PRO 60 1HB PRO 60 -2.328 -12.416 -13.591 514 HB3 PRO 60 2HB PRO 60 -1.583 -10.823 -13.449 515 HG2 PRO 60 1HG PRO 60 -0.190 -13.047 -12.953 516 HG3 PRO 60 2HG PRO 60 0.059 -11.573 -11.999 517 HD2 PRO 60 1HD PRO 60 -1.456 -14.054 -11.293 518 HD3 PRO 60 2HD PRO 60 -0.411 -13.045 -10.274 519 H THR 61 H THR 61 -4.265 -13.353 -11.121 520 HA THR 61 HA THR 61 -6.240 -13.288 -13.083 521 HB THR 61 HB THR 61 -6.916 -14.208 -10.318 522 HG1 THR 61 HG1 THR 61 -5.257 -15.460 -10.229 523 HG21 THR 61 3HG2 THR 61 -7.948 -14.680 -12.890 524 HG22 THR 61 1HG2 THR 61 -8.442 -15.405 -11.361 525 HG23 THR 61 2HG2 THR 61 -7.204 -16.182 -12.345 526 H PHE 62 H PHE 62 -5.740 -11.104 -10.518 527 HA PHE 62 HA PHE 62 -8.421 -10.362 -9.944 528 HB2 PHE 62 1HB PHE 62 -6.016 -9.789 -8.829 529 HB3 PHE 62 2HB PHE 62 -6.301 -8.300 -9.721 530 HD1 PHE 62 HD1 PHE 62 -7.664 -10.530 -7.111 531 HD2 PHE 62 HD2 PHE 62 -7.870 -6.701 -8.963 532 HE1 PHE 62 HE1 PHE 62 -9.124 -9.734 -5.299 533 HE2 PHE 62 HE2 PHE 62 -9.330 -5.903 -7.153 534 HZ PHE 62 HZ PHE 62 -9.960 -7.418 -5.320 535 H ALA 63 H ALA 63 -9.240 -8.093 -10.420 536 HA ALA 63 HA ALA 63 -9.734 -7.760 -13.117 537 HB1 ALA 63 3HB ALA 63 -9.798 -5.639 -10.974 538 HB2 ALA 63 1HB ALA 63 -11.107 -6.749 -11.379 539 HB3 ALA 63 2HB ALA 63 -10.586 -5.537 -12.548 540 H ASN 64 H ASN 64 -7.350 -6.009 -11.115 541 HA ASN 64 HA ASN 64 -5.432 -5.832 -13.160 542 HB2 ASN 64 1HB ASN 64 -5.546 -3.299 -13.457 543 HB3 ASN 64 2HB ASN 64 -6.776 -4.240 -14.292 544 HD21 ASN 64 2HD2 ASN 64 -6.132 -1.990 -11.732 545 HD22 ASN 64 1HD2 ASN 64 -7.779 -1.605 -11.383 546 HA PRO 65 HA PRO 65 -2.975 -4.905 -9.610 547 HB2 PRO 65 1HB PRO 65 -0.796 -3.772 -10.783 548 HB3 PRO 65 2HB PRO 65 -1.131 -5.506 -10.837 549 HG2 PRO 65 1HG PRO 65 -1.650 -3.411 -12.910 550 HG3 PRO 65 2HG PRO 65 -1.007 -5.052 -13.112 551 HD2 PRO 65 1HD PRO 65 -3.587 -4.428 -13.633 552 HD3 PRO 65 2HD PRO 65 -3.096 -6.019 -13.018 553 H ASN 66 H ASN 66 -1.997 -3.130 -8.402 554 HA ASN 66 HA ASN 66 -3.283 -0.565 -9.050 555 HB2 ASN 66 1HB ASN 66 -2.646 -1.942 -6.467 556 HB3 ASN 66 2HB ASN 66 -2.733 -0.185 -6.498 557 HD21 ASN 66 2HD2 ASN 66 -4.646 -2.778 -8.044 558 HD22 ASN 66 1HD2 ASN 66 -6.170 -2.208 -7.467 559 H ARG 67 H ARG 67 -2.120 1.409 -8.515 560 HA ARG 67 HA ARG 67 0.747 1.216 -8.139 561 HB2 ARG 67 1HB ARG 67 -0.462 1.702 -10.748 562 HB3 ARG 67 2HB ARG 67 0.642 2.984 -10.266 563 HG2 ARG 67 1HG ARG 67 2.459 1.680 -10.470 564 HG3 ARG 67 2HG ARG 67 1.634 0.252 -9.839 565 HD2 ARG 67 1HD ARG 67 0.570 -0.141 -11.952 566 HD3 ARG 67 2HD ARG 67 1.186 1.381 -12.596 567 HE ARG 67 HE ARG 67 3.439 0.061 -11.925 568 HH11 ARG 67 1HH1 ARG 67 0.656 -0.847 -13.854 569 HH12 ARG 67 2HH1 ARG 67 1.557 -1.933 -14.857 570 HH21 ARG 67 1HH2 ARG 67 4.612 -1.364 -13.245 571 HH22 ARG 67 2HH2 ARG 67 3.804 -2.226 -14.511 572 H THR 68 H THR 68 1.752 3.270 -7.699 573 HA THR 68 HA THR 68 -0.118 5.435 -7.059 574 HB THR 68 HB THR 68 1.851 5.483 -5.050 575 HG1 THR 68 HG1 THR 68 1.727 3.472 -4.129 576 HG21 THR 68 3HG2 THR 68 -0.452 6.226 -4.776 577 HG22 THR 68 1HG2 THR 68 0.014 5.078 -3.520 578 HG23 THR 68 2HG2 THR 68 -1.003 4.553 -4.861 579 H PHE 69 H PHE 69 0.534 7.324 -7.796 580 HA PHE 69 HA PHE 69 3.253 8.168 -7.763 581 HB2 PHE 69 1HB PHE 69 3.442 8.464 -10.263 582 HB3 PHE 69 2HB PHE 69 3.550 6.808 -9.695 583 HD1 PHE 69 HD1 PHE 69 1.433 5.375 -9.829 584 HD2 PHE 69 HD2 PHE 69 1.907 9.060 -11.905 585 HE1 PHE 69 HE1 PHE 69 -0.374 4.736 -11.367 586 HE2 PHE 69 HE2 PHE 69 0.098 8.426 -13.448 587 HZ PHE 69 HZ PHE 69 -1.046 6.263 -13.178 588 H THR 70 H THR 70 0.064 8.665 -9.248 589 HA THR 70 HA THR 70 0.104 11.435 -8.347 590 HB THR 70 HB THR 70 1.013 11.412 -10.675 591 HG1 THR 70 HG1 THR 70 -0.233 13.117 -11.335 592 HG21 THR 70 3HG2 THR 70 -1.562 11.057 -11.961 593 HG22 THR 70 1HG2 THR 70 -0.941 9.572 -11.237 594 HG23 THR 70 2HG2 THR 70 0.031 10.455 -12.415 595 H ASP 71 H ASP 71 -1.346 9.005 -7.569 596 HA ASP 71 HA ASP 71 -4.072 10.015 -7.980 597 HB2 ASP 71 1HB ASP 71 -3.160 7.142 -8.222 598 HB3 ASP 71 2HB ASP 71 -4.847 7.602 -8.024 599 HA PRO 72 HA PRO 72 -4.593 9.674 -3.609 600 HB2 PRO 72 1HB PRO 72 -7.187 8.841 -3.413 601 HB3 PRO 72 2HB PRO 72 -6.729 10.491 -3.847 602 HG2 PRO 72 1HG PRO 72 -7.545 8.222 -5.621 603 HG3 PRO 72 2HG PRO 72 -8.026 9.927 -5.693 604 HD2 PRO 72 1HD PRO 72 -6.146 8.907 -7.328 605 HD3 PRO 72 2HD PRO 72 -6.059 10.572 -6.719 606 HA PRO 73 HA PRO 73 -4.071 5.631 -1.865 607 HB2 PRO 73 1HB PRO 73 -6.222 5.380 -0.106 608 HB3 PRO 73 2HB PRO 73 -4.669 6.136 0.262 609 HG2 PRO 73 1HG PRO 73 -7.252 7.396 -0.534 610 HG3 PRO 73 2HG PRO 73 -6.040 7.957 0.633 611 HD2 PRO 73 1HD PRO 73 -6.243 9.060 -1.791 612 HD3 PRO 73 2HD PRO 73 -4.657 8.807 -1.032 613 H PHE 74 H PHE 74 -5.047 3.442 -1.590 614 HA PHE 74 HA PHE 74 -7.352 3.038 -3.384 615 HB2 PHE 74 1HB PHE 74 -4.715 1.583 -3.380 616 HB3 PHE 74 2HB PHE 74 -6.161 0.889 -4.104 617 HD1 PHE 74 HD1 PHE 74 -3.716 3.630 -4.311 618 HD2 PHE 74 HD2 PHE 74 -6.992 1.672 -6.196 619 HE1 PHE 74 HE1 PHE 74 -3.258 4.869 -6.386 620 HE2 PHE 74 HE2 PHE 74 -6.537 2.906 -8.273 621 HZ PHE 74 HZ PHE 74 -4.669 4.507 -8.373 622 H ARG 75 H ARG 75 -8.745 2.768 -1.640 623 HA ARG 75 HA ARG 75 -8.300 0.402 0.047 624 HB2 ARG 75 1HB ARG 75 -8.620 2.438 1.332 625 HB3 ARG 75 2HB ARG 75 -10.100 2.798 0.453 626 HG2 ARG 75 1HG ARG 75 -11.333 1.300 1.627 627 HG3 ARG 75 2HG ARG 75 -9.972 0.204 1.874 628 HD2 ARG 75 1HD ARG 75 -9.937 0.984 3.966 629 HD3 ARG 75 2HD ARG 75 -9.207 2.433 3.279 630 HE ARG 75 HE ARG 75 -11.140 3.567 3.716 631 HH11 ARG 75 1HH1 ARG 75 -11.826 0.131 3.867 632 HH12 ARG 75 2HH1 ARG 75 -13.434 0.354 4.474 633 HH21 ARG 75 1HH2 ARG 75 -13.260 3.850 4.513 634 HH22 ARG 75 2HH2 ARG 75 -14.246 2.465 4.842 635 H ILE 76 H ILE 76 -9.025 -1.167 -1.414 636 HA ILE 76 HA ILE 76 -11.905 -1.039 -2.031 637 HB ILE 76 HB ILE 76 -9.851 -2.467 -3.721 638 HG12 ILE 76 1HG1 ILE 76 -11.118 -0.187 -4.986 639 HG13 ILE 76 2HG1 ILE 76 -10.246 0.306 -3.540 640 HG21 ILE 76 1HG2 ILE 76 -12.778 -1.852 -4.107 641 HG22 ILE 76 2HG2 ILE 76 -12.023 -3.439 -3.949 642 HG23 ILE 76 3HG2 ILE 76 -11.722 -2.460 -5.385 643 HD11 ILE 76 3HD1 ILE 76 -8.243 -0.858 -4.428 644 HD12 ILE 76 1HD1 ILE 76 -8.790 0.494 -5.419 645 HD13 ILE 76 2HD1 ILE 76 -9.138 -1.162 -5.917 646 H GLU 77 H GLU 77 -13.141 -2.778 -1.559 647 HA GLU 77 HA GLU 77 -11.797 -5.203 -0.581 648 HB2 GLU 77 1HB GLU 77 -13.561 -5.390 1.161 649 HB3 GLU 77 2HB GLU 77 -12.505 -4.002 1.375 650 HG2 GLU 77 1HG GLU 77 -14.240 -2.565 0.360 651 HG3 GLU 77 2HG GLU 77 -15.303 -3.970 0.257 652 H GLU 78 H GLU 78 -12.768 -7.145 -1.076 653 HA GLU 78 HA GLU 78 -15.410 -7.262 -2.215 654 HB2 GLU 78 1HB GLU 78 -13.479 -6.592 -3.998 655 HB3 GLU 78 2HB GLU 78 -13.428 -8.346 -4.114 656 HG2 GLU 78 1HG GLU 78 -14.930 -7.686 -5.766 657 HG3 GLU 78 2HG GLU 78 -15.946 -8.242 -4.439 658 H GLN 79 H GLN 79 -15.920 -9.521 -2.999 659 HA GLN 79 HA GLN 79 -14.602 -11.473 -1.238 660 HB2 GLN 79 1HB GLN 79 -17.255 -12.011 -2.507 661 HB3 GLN 79 2HB GLN 79 -16.618 -12.574 -0.969 662 HG2 GLN 79 1HG GLN 79 -16.973 -10.403 0.021 663 HG3 GLN 79 2HG GLN 79 -17.489 -9.747 -1.529 664 HE21 GLN 79 2HE2 GLN 79 -18.376 -11.657 1.213 665 HE22 GLN 79 1HE2 GLN 79 -20.047 -11.828 0.818 666 H GLY 80 H GLY 80 -14.941 -13.823 -2.131 667 HA2 GLY 80 1HA GLY 80 -15.186 -14.882 -4.474 668 HA3 GLY 80 2HA GLY 80 -13.853 -13.811 -4.871 669 H TRP 81 H TRP 81 -12.313 -15.318 -5.310 670 HA TRP 81 HA TRP 81 -11.500 -16.990 -3.032 671 HB2 TRP 81 1HB TRP 81 -10.764 -18.732 -4.631 672 HB3 TRP 81 2HB TRP 81 -12.501 -18.458 -4.684 673 HD1 TRP 81 HD1 TRP 81 -13.278 -16.734 -6.827 674 HE1 TRP 81 HE1 TRP 81 -12.420 -16.793 -9.252 675 HE3 TRP 81 HE3 TRP 81 -8.905 -19.280 -6.084 676 HZ2 TRP 81 HZ2 TRP 81 -10.190 -17.794 -10.666 677 HZ3 TRP 81 HZ3 TRP 81 -7.468 -19.750 -8.027 678 HH2 TRP 81 HH2 TRP 81 -8.101 -19.020 -10.269 679 H GLY 82 H GLY 82 -9.698 -16.159 -2.267 680 HA2 GLY 82 1HA GLY 82 -7.732 -15.033 -4.149 681 HA3 GLY 82 2HA GLY 82 -7.841 -14.636 -2.439 682 H GLY 83 H GLY 83 -6.042 -15.301 -1.477 683 HA2 GLY 83 1HA GLY 83 -4.701 -16.961 -0.494 684 HA3 GLY 83 2HA GLY 83 -5.278 -18.111 -1.689 685 H PHE 84 H PHE 84 -3.778 -14.912 -2.010 686 HA PHE 84 HA PHE 84 -1.453 -16.130 -3.293 687 HB2 PHE 84 1HB PHE 84 -3.288 -14.101 -4.569 688 HB3 PHE 84 2HB PHE 84 -1.634 -14.357 -5.119 689 HD1 PHE 84 HD2 PHE 84 -1.009 -16.807 -5.728 690 HD2 PHE 84 HD1 PHE 84 -5.001 -15.353 -5.480 691 HE1 PHE 84 HE2 PHE 84 -1.769 -18.660 -7.154 692 HE2 PHE 84 HE1 PHE 84 -5.768 -17.205 -6.905 693 HZ PHE 84 HZ PHE 84 -4.151 -18.861 -7.746 694 HA PRO 85 HA PRO 85 0.898 -13.061 -1.200 695 HB2 PRO 85 1HB PRO 85 2.792 -12.389 -3.040 696 HB3 PRO 85 2HB PRO 85 2.788 -13.909 -2.144 697 HG2 PRO 85 1HG PRO 85 1.834 -13.354 -4.924 698 HG3 PRO 85 2HG PRO 85 2.788 -14.723 -4.321 699 HD2 PRO 85 1HD PRO 85 0.140 -14.914 -4.772 700 HD3 PRO 85 2HD PRO 85 0.936 -15.795 -3.452 701 H LEU 86 H LEU 86 1.573 -10.846 -1.123 702 HA LEU 86 HA LEU 86 0.590 -9.018 -3.152 703 HB2 LEU 86 1HB LEU 86 -0.724 -7.686 -1.602 704 HB3 LEU 86 2HB LEU 86 -1.358 -9.318 -1.689 705 HG LEU 86 HG LEU 86 0.565 -8.749 0.501 706 HD11 LEU 86 1HD1 LEU 86 -2.062 -7.400 0.201 707 HD12 LEU 86 2HD1 LEU 86 -0.580 -6.841 0.975 708 HD13 LEU 86 3HD1 LEU 86 -1.616 -8.009 1.794 709 HD21 LEU 86 3HD2 LEU 86 -2.014 -10.054 1.005 710 HD22 LEU 86 1HD2 LEU 86 -0.382 -10.546 1.451 711 HD23 LEU 86 2HD2 LEU 86 -0.988 -10.869 -0.173 712 H ASP 87 H ASP 87 1.887 -7.253 -3.311 713 HA ASP 87 HA ASP 87 3.614 -6.543 -1.066 714 HB2 ASP 87 1HB ASP 87 5.632 -6.591 -2.411 715 HB3 ASP 87 2HB ASP 87 4.876 -8.180 -2.432 716 H ILE 88 H ILE 88 4.529 -4.443 -1.194 717 HA ILE 88 HA ILE 88 3.491 -2.707 -3.321 718 HB ILE 88 HB ILE 88 3.358 -1.948 -0.399 719 HG12 ILE 88 1HG1 ILE 88 0.790 -2.044 -1.005 720 HG13 ILE 88 2HG1 ILE 88 1.331 -3.206 -2.211 721 HG21 ILE 88 1HG2 ILE 88 1.917 -0.586 -2.638 722 HG22 ILE 88 2HG2 ILE 88 3.607 -0.212 -2.305 723 HG23 ILE 88 3HG2 ILE 88 2.386 0.044 -1.060 724 HD11 ILE 88 3HD1 ILE 88 2.454 -3.755 0.397 725 HD12 ILE 88 1HD1 ILE 88 1.552 -4.807 -0.692 726 HD13 ILE 88 2HD1 ILE 88 0.692 -3.738 0.416 727 H SER 89 H SER 89 5.114 -1.607 -4.196 728 HA SER 89 HA SER 89 7.541 -1.148 -2.602 729 HB2 SER 89 1HB SER 89 8.651 -0.804 -4.823 730 HB3 SER 89 2HB SER 89 7.985 -2.421 -4.601 731 HG SER 89 HG SER 89 6.998 -0.301 -6.185 732 H VAL 90 H VAL 90 8.495 0.875 -2.482 733 HA VAL 90 HA VAL 90 7.002 3.123 -3.639 734 HB VAL 90 HB VAL 90 6.428 2.723 -1.193 735 HG11 VAL 90 1HG1 VAL 90 8.091 3.779 0.403 736 HG12 VAL 90 2HG1 VAL 90 9.288 3.561 -0.873 737 HG13 VAL 90 3HG1 VAL 90 8.461 2.161 -0.189 738 HG21 VAL 90 3HG2 VAL 90 7.198 5.348 -0.809 739 HG22 VAL 90 1HG2 VAL 90 5.705 4.798 -1.565 740 HG23 VAL 90 2HG2 VAL 90 7.103 5.191 -2.562 741 H PHE 91 H PHE 91 8.196 4.889 -4.242 742 HA PHE 91 HA PHE 91 11.057 4.968 -3.674 743 HB2 PHE 91 1HB PHE 91 9.919 4.186 -6.239 744 HB3 PHE 91 2HB PHE 91 10.956 5.596 -6.387 745 HD1 PHE 91 HD2 PHE 91 13.313 5.443 -5.452 746 HD2 PHE 91 HD1 PHE 91 10.817 2.052 -6.059 747 HE1 PHE 91 HE2 PHE 91 15.293 3.984 -5.420 748 HE2 PHE 91 HE1 PHE 91 12.792 0.587 -6.026 749 HZ PHE 91 HZ PHE 91 15.034 1.552 -5.709 750 H LEU 92 H LEU 92 12.023 7.032 -4.144 751 HA LEU 92 HA LEU 92 10.137 9.214 -4.678 752 HB2 LEU 92 1HB LEU 92 11.445 10.509 -2.852 753 HB3 LEU 92 2HB LEU 92 10.149 9.422 -2.390 754 HG LEU 92 HG LEU 92 12.942 8.371 -2.427 755 HD11 LEU 92 1HD1 LEU 92 12.755 9.142 0.130 756 HD12 LEU 92 2HD1 LEU 92 11.912 10.484 -0.646 757 HD13 LEU 92 3HD1 LEU 92 13.567 10.094 -1.113 758 HD21 LEU 92 3HD2 LEU 92 10.966 7.837 -0.284 759 HD22 LEU 92 1HD2 LEU 92 12.120 6.754 -1.061 760 HD23 LEU 92 2HD2 LEU 92 10.624 7.185 -1.885 761 H LEU 93 H LEU 93 13.574 8.333 -4.281 762 HA LEU 93 HA LEU 93 14.169 10.022 -6.583 763 HB2 LEU 93 1HB LEU 93 15.027 10.557 -3.833 764 HB3 LEU 93 2HB LEU 93 16.344 10.530 -4.990 765 HG LEU 93 HG LEU 93 14.551 12.096 -6.303 766 HD11 LEU 93 1HD1 LEU 93 12.942 12.196 -4.559 767 HD12 LEU 93 2HD1 LEU 93 13.770 13.753 -4.596 768 HD13 LEU 93 3HD1 LEU 93 14.176 12.566 -3.355 769 HD21 LEU 93 3HD2 LEU 93 17.069 12.344 -5.429 770 HD22 LEU 93 1HD2 LEU 93 16.276 13.498 -4.356 771 HD23 LEU 93 2HD2 LEU 93 16.147 13.684 -6.106 772 H GLU 94 H GLU 94 16.245 8.396 -4.179 773 HA GLU 94 HA GLU 94 16.991 6.418 -6.207 774 HB2 GLU 94 1HB GLU 94 18.595 8.630 -5.614 775 HB3 GLU 94 2HB GLU 94 19.329 7.295 -4.736 776 HG2 GLU 94 1HG GLU 94 19.541 6.015 -6.757 777 HG3 GLU 94 2HG GLU 94 18.660 7.242 -7.667 778 H LYS 95 H LYS 95 17.734 7.461 -2.865 779 HA LYS 95 HA LYS 95 16.880 4.927 -1.814 780 HB2 LYS 95 1HB LYS 95 19.173 4.580 -0.672 781 HB3 LYS 95 2HB LYS 95 18.981 4.074 -2.343 782 HG2 LYS 95 1HG LYS 95 20.769 5.279 -2.850 783 HG3 LYS 95 2HG LYS 95 19.849 6.733 -2.457 784 HD2 LYS 95 1HD LYS 95 20.531 6.116 0.002 785 HD3 LYS 95 2HD LYS 95 21.825 5.227 -0.804 786 HE2 LYS 95 1HE LYS 95 21.266 8.078 -1.527 787 HE3 LYS 95 2HE LYS 95 22.213 7.695 -0.090 788 HZ1 LYS 95 3HZ LYS 95 23.248 7.986 -2.536 789 HZ2 LYS 95 1HZ LYS 95 23.023 6.311 -2.506 790 HZ3 LYS 95 2HZ LYS 95 23.965 7.060 -1.319 791 H ALA 96 H ALA 96 15.621 6.998 -1.090 792 HA ALA 96 HA ALA 96 16.827 8.013 1.403 793 HB1 ALA 96 3HB ALA 96 14.591 9.576 0.857 794 HB2 ALA 96 1HB ALA 96 15.362 9.330 -0.709 795 HB3 ALA 96 2HB ALA 96 16.280 10.027 0.626 796 H GLY 97 H GLY 97 13.888 6.679 -0.052 797 HA2 GLY 97 1HA GLY 97 13.134 5.506 2.489 798 HA3 GLY 97 2HA GLY 97 12.035 6.739 1.894 799 H GLU 98 H GLU 98 13.795 4.526 -0.204 800 HA GLU 98 HA GLU 98 11.257 3.575 -1.249 801 HB2 GLU 98 1HB GLU 98 12.586 2.584 -3.054 802 HB3 GLU 98 2HB GLU 98 12.967 4.284 -2.839 803 HG2 GLU 98 1HG GLU 98 15.082 3.541 -2.991 804 HG3 GLU 98 2HG GLU 98 14.862 3.229 -1.276 805 H ARG 99 H ARG 99 10.321 1.830 -0.462 806 HA ARG 99 HA ARG 99 11.964 -0.479 0.235 807 HB2 ARG 99 1HB ARG 99 10.605 1.215 2.156 808 HB3 ARG 99 2HB ARG 99 10.030 -0.445 2.244 809 HG2 ARG 99 1HG ARG 99 12.915 -0.320 2.061 810 HG3 ARG 99 2HG ARG 99 12.300 0.597 3.437 811 HD2 ARG 99 1HD ARG 99 11.676 -1.251 4.538 812 HD3 ARG 99 2HD ARG 99 11.012 -2.005 3.088 813 HE ARG 99 HE ARG 99 13.676 -2.211 2.709 814 HH11 ARG 99 1HH1 ARG 99 11.600 -3.082 5.395 815 HH12 ARG 99 2HH1 ARG 99 12.613 -4.388 5.911 816 HH21 ARG 99 1HH2 ARG 99 15.000 -3.935 3.393 817 HH22 ARG 99 2HH2 ARG 99 14.542 -4.871 4.775 818 H LYS 100 H LYS 100 10.791 -2.474 0.391 819 HA LYS 100 HA LYS 100 8.179 -2.428 -0.976 820 HB2 LYS 100 1HB LYS 100 10.115 -3.321 -2.356 821 HB3 LYS 100 2HB LYS 100 10.221 -4.644 -1.201 822 HG2 LYS 100 1HG LYS 100 7.773 -5.093 -1.729 823 HG3 LYS 100 2HG LYS 100 7.987 -4.004 -3.101 824 HD2 LYS 100 1HD LYS 100 10.142 -5.647 -3.374 825 HD3 LYS 100 2HD LYS 100 8.945 -6.752 -2.694 826 HE2 LYS 100 1HE LYS 100 8.257 -6.998 -4.812 827 HE3 LYS 100 2HE LYS 100 7.479 -5.435 -4.579 828 HZ1 LYS 100 3HZ LYS 100 8.686 -5.188 -6.530 829 HZ2 LYS 100 1HZ LYS 100 10.028 -6.037 -5.943 830 HZ3 LYS 100 2HZ LYS 100 9.696 -4.479 -5.371 831 H ILE 101 H ILE 101 6.551 -3.428 0.074 832 HA ILE 101 HA ILE 101 7.257 -5.028 2.445 833 HB ILE 101 HB ILE 101 4.646 -3.599 1.953 834 HG12 ILE 101 1HG1 ILE 101 6.333 -2.527 4.074 835 HG13 ILE 101 2HG1 ILE 101 7.106 -2.407 2.498 836 HG21 ILE 101 1HG2 ILE 101 5.733 -5.297 4.117 837 HG22 ILE 101 2HG2 ILE 101 4.076 -5.101 3.547 838 HG23 ILE 101 3HG2 ILE 101 4.795 -3.887 4.604 839 HD11 ILE 101 3HD1 ILE 101 4.606 -1.518 1.934 840 HD12 ILE 101 1HD1 ILE 101 5.977 -0.489 2.346 841 HD13 ILE 101 2HD1 ILE 101 4.818 -0.955 3.591 842 HA PRO 102 HA PRO 102 5.178 -8.198 -0.058 843 HB2 PRO 102 1HB PRO 102 6.774 -10.232 0.577 844 HB3 PRO 102 2HB PRO 102 7.322 -8.964 -0.526 845 HG2 PRO 102 1HG PRO 102 7.994 -9.399 2.345 846 HG3 PRO 102 2HG PRO 102 9.020 -8.802 1.031 847 HD2 PRO 102 1HD PRO 102 7.696 -7.232 2.946 848 HD3 PRO 102 2HD PRO 102 8.431 -6.649 1.442 849 H HIS 103 H HIS 103 3.557 -9.552 0.547 850 HA HIS 103 HA HIS 103 3.510 -10.791 3.166 851 HB2 HIS 103 1HB HIS 103 2.258 -8.303 2.819 852 HB3 HIS 103 2HB HIS 103 0.958 -9.488 2.779 853 HD1 HIS 103 HD1 HIS 103 2.650 -11.360 4.907 854 HD2 HIS 103 HD2 HIS 103 1.353 -7.437 5.344 855 HE1 HIS 103 HE1 HIS 103 2.509 -10.971 7.384 856 HE2 HIS 103 HE2 HIS 103 1.755 -8.579 7.627 857 H ASP 104 H ASP 104 1.352 -12.050 3.434 858 HA ASP 104 HA ASP 104 0.644 -13.241 0.832 859 HB2 ASP 104 1HB ASP 104 1.923 -14.724 2.411 860 HB3 ASP 104 2HB ASP 104 0.567 -14.620 3.524 861 H LEU 105 H LEU 105 -1.544 -13.892 0.494 862 HA LEU 105 HA LEU 105 -3.469 -12.690 2.372 863 HB2 LEU 105 1HB LEU 105 -3.077 -11.431 0.180 864 HB3 LEU 105 2HB LEU 105 -3.872 -12.776 -0.610 865 HG LEU 105 HG LEU 105 -5.932 -12.331 0.547 866 HD11 LEU 105 1HD1 LEU 105 -5.840 -10.053 1.925 867 HD12 LEU 105 2HD1 LEU 105 -4.202 -10.628 2.235 868 HD13 LEU 105 3HD1 LEU 105 -5.587 -11.630 2.670 869 HD21 LEU 105 3HD2 LEU 105 -4.577 -10.245 -1.001 870 HD22 LEU 105 1HD2 LEU 105 -5.948 -9.675 -0.050 871 HD23 LEU 105 2HD2 LEU 105 -6.168 -10.973 -1.221 872 H ASN 106 H ASN 106 -3.689 -14.789 3.313 873 HA ASN 106 HA ASN 106 -4.839 -16.884 1.648 874 HB2 ASN 106 1HB ASN 106 -3.177 -16.945 3.866 875 HB3 ASN 106 2HB ASN 106 -4.740 -17.436 4.514 876 HD21 ASN 106 2HD2 ASN 106 -3.039 -17.990 1.442 877 HD22 ASN 106 1HD2 ASN 106 -3.193 -19.709 1.474 878 H PHE 107 H PHE 107 -6.625 -18.169 3.156 879 HA PHE 107 HA PHE 107 -8.749 -16.167 3.570 880 HB2 PHE 107 1HB PHE 107 -10.240 -18.292 3.185 881 HB3 PHE 107 2HB PHE 107 -9.538 -17.450 1.813 882 HD1 PHE 107 HD2 PHE 107 -7.630 -18.417 0.606 883 HD2 PHE 107 HD1 PHE 107 -9.566 -20.515 3.765 884 HE1 PHE 107 HE2 PHE 107 -6.562 -20.506 -0.131 885 HE2 PHE 107 HE1 PHE 107 -8.499 -22.609 3.031 886 HZ PHE 107 HZ PHE 107 -6.996 -22.606 1.081 887 H LEU 108 H LEU 108 -10.512 -16.865 5.063 888 HA LEU 108 HA LEU 108 -11.338 -17.669 7.033 889 HB2 LEU 108 1HB LEU 108 -9.560 -19.647 6.390 890 HB3 LEU 108 2HB LEU 108 -8.943 -19.100 7.935 891 HG LEU 108 HG LEU 108 -11.731 -20.126 7.399 892 HD11 LEU 108 1HD1 LEU 108 -9.540 -21.631 7.583 893 HD12 LEU 108 2HD1 LEU 108 -11.095 -22.131 8.249 894 HD13 LEU 108 3HD1 LEU 108 -9.870 -21.423 9.302 895 HD21 LEU 108 3HD2 LEU 108 -10.450 -18.937 9.838 896 HD22 LEU 108 1HD2 LEU 108 -11.787 -20.080 9.965 897 HD23 LEU 108 2HD2 LEU 108 -12.009 -18.557 9.105 898 H GLN 109 H GLN 109 -10.814 -15.265 7.243 899 HA GLN 109 HA GLN 109 -10.309 -13.544 8.627 900 HB2 GLN 109 1HB GLN 109 -9.738 -15.868 10.418 901 HB3 GLN 109 2HB GLN 109 -9.320 -14.243 10.940 902 HG2 GLN 109 1HG GLN 109 -11.589 -13.534 10.814 903 HG3 GLN 109 2HG GLN 109 -12.073 -15.036 10.028 904 HE21 GLN 109 2HE2 GLN 109 -11.157 -17.011 11.445 905 HE22 GLN 109 1HE2 GLN 109 -11.653 -16.941 13.098 906 H GLU 110 H GLU 110 -8.685 -12.106 8.647 907 HA GLU 110 HA GLU 110 -5.947 -12.913 9.008 908 HB2 GLU 110 1HB GLU 110 -6.353 -13.372 6.586 909 HB3 GLU 110 2HB GLU 110 -6.728 -11.669 6.371 910 HG2 GLU 110 1HG GLU 110 -4.487 -11.042 6.999 911 HG3 GLU 110 2HG GLU 110 -4.092 -12.719 7.374 912 H SER 111 H SER 111 -4.757 -11.325 9.849 913 HA SER 111 HA SER 111 -5.710 -8.552 9.658 914 HB2 SER 111 1HB SER 111 -6.107 -9.955 11.926 915 HB3 SER 111 2HB SER 111 -4.465 -9.389 12.228 916 HG SER 111 HG SER 111 -6.044 -7.914 12.992 917 H TYR 112 H TYR 112 -4.018 -8.690 7.944 918 HA TYR 112 HA TYR 112 -1.319 -8.404 9.082 919 HB2 TYR 112 1HB TYR 112 -2.276 -9.530 6.468 920 HB3 TYR 112 2HB TYR 112 -0.644 -8.888 6.612 921 HD1 TYR 112 HD2 TYR 112 0.087 -9.782 9.347 922 HD2 TYR 112 HD1 TYR 112 -1.977 -11.824 6.235 923 HE1 TYR 112 HE2 TYR 112 0.846 -11.936 10.262 924 HE2 TYR 112 HE1 TYR 112 -1.226 -13.978 7.141 925 HH TYR 112 HH TYR 112 0.627 -14.841 8.555 926 H GLU 113 H GLU 113 -0.589 -6.406 9.109 927 HA GLU 113 HA GLU 113 -0.979 -4.664 6.834 928 HB2 GLU 113 1HB GLU 113 -2.127 -2.928 7.925 929 HB3 GLU 113 2HB GLU 113 -2.986 -4.390 8.369 930 HG2 GLU 113 1HG GLU 113 -1.388 -4.303 10.455 931 HG3 GLU 113 2HG GLU 113 -1.311 -2.592 10.038 932 H VAL 114 H VAL 114 0.626 -3.184 6.582 933 HA VAL 114 HA VAL 114 2.688 -3.089 8.689 934 HB VAL 114 HB VAL 114 3.222 -2.762 5.737 935 HG11 VAL 114 1HG1 VAL 114 4.974 -3.138 8.157 936 HG12 VAL 114 2HG1 VAL 114 4.952 -1.784 7.028 937 HG13 VAL 114 3HG1 VAL 114 5.557 -3.356 6.508 938 HG21 VAL 114 3HG2 VAL 114 2.993 -5.215 7.391 939 HG22 VAL 114 1HG2 VAL 114 4.303 -5.136 6.214 940 HG23 VAL 114 2HG2 VAL 114 2.630 -4.959 5.684 941 H GLU 115 H GLU 115 3.867 -1.155 8.951 942 HA GLU 115 HA GLU 115 2.713 1.242 7.705 943 HB2 GLU 115 1HB GLU 115 2.531 0.468 10.473 944 HB3 GLU 115 2HB GLU 115 3.465 1.950 10.332 945 HG2 GLU 115 1HG GLU 115 0.892 1.727 8.860 946 HG3 GLU 115 2HG GLU 115 0.865 2.008 10.599 947 H HIS 116 H HIS 116 4.334 2.056 6.536 948 HA HIS 116 HA HIS 116 7.024 2.156 7.748 949 HB2 HIS 116 1HB HIS 116 6.099 1.497 5.044 950 HB3 HIS 116 2HB HIS 116 7.422 2.659 5.074 951 HD1 HIS 116 HD1 HIS 116 9.718 1.823 5.850 952 HD2 HIS 116 HD2 HIS 116 6.747 -1.078 5.983 953 HE1 HIS 116 HE1 HIS 116 10.921 -0.355 6.215 954 HE2 HIS 116 HE2 HIS 116 9.091 -2.073 6.427 955 H VAL 117 H VAL 117 8.285 4.064 7.467 956 HA VAL 117 HA VAL 117 6.742 6.467 6.733 957 HB VAL 117 HB VAL 117 6.901 6.251 9.193 958 HG11 VAL 117 1HG1 VAL 117 8.810 5.914 10.340 959 HG12 VAL 117 2HG1 VAL 117 9.763 6.932 9.261 960 HG13 VAL 117 3HG1 VAL 117 9.392 5.270 8.804 961 HG21 VAL 117 3HG2 VAL 117 7.565 8.508 9.628 962 HG22 VAL 117 1HG2 VAL 117 6.809 8.460 8.034 963 HG23 VAL 117 2HG2 VAL 117 8.565 8.549 8.176 964 H ILE 118 H ILE 118 7.932 8.250 5.930 965 HA ILE 118 HA ILE 118 10.758 7.818 5.269 966 HB ILE 118 HB ILE 118 8.733 8.673 3.198 967 HG12 ILE 118 1HG1 ILE 118 9.566 6.396 2.165 968 HG13 ILE 118 2HG1 ILE 118 9.909 5.994 3.845 969 HG21 ILE 118 1HG2 ILE 118 10.665 8.284 1.645 970 HG22 ILE 118 2HG2 ILE 118 11.690 8.137 3.071 971 HG23 ILE 118 3HG2 ILE 118 10.848 9.650 2.744 972 HD11 ILE 118 3HD1 ILE 118 7.794 5.431 4.130 973 HD12 ILE 118 1HD1 ILE 118 7.449 5.858 2.456 974 HD13 ILE 118 2HD1 ILE 118 7.293 7.073 3.724 975 H GLN 119 H GLN 119 11.926 9.619 5.668 976 HA GLN 119 HA GLN 119 10.532 12.215 5.582 977 HB2 GLN 119 1HB GLN 119 12.011 10.962 7.788 978 HB3 GLN 119 2HB GLN 119 12.490 12.621 7.454 979 HG2 GLN 119 1HG GLN 119 10.589 13.467 8.265 980 HG3 GLN 119 2HG GLN 119 9.598 12.211 7.525 981 HE21 GLN 119 2HE2 GLN 119 9.353 13.328 10.169 982 HE22 GLN 119 1HE2 GLN 119 9.560 12.024 11.284 983 H ILE 120 H ILE 120 11.375 13.471 4.072 984 HA ILE 120 HA ILE 120 14.288 13.413 3.646 985 HB ILE 120 HB ILE 120 12.451 13.927 1.336 986 HG12 ILE 120 1HG1 ILE 120 13.222 11.315 0.968 987 HG13 ILE 120 2HG1 ILE 120 12.862 11.350 2.691 988 HG21 ILE 120 1HG2 ILE 120 15.087 12.543 1.198 989 HG22 ILE 120 2HG2 ILE 120 15.039 14.284 1.480 990 HG23 ILE 120 3HG2 ILE 120 14.305 13.604 0.028 991 HD11 ILE 120 3HD1 ILE 120 10.633 11.957 2.326 992 HD12 ILE 120 1HD1 ILE 120 10.976 10.718 1.118 993 HD13 ILE 120 2HD1 ILE 120 10.945 12.418 0.653 994 HA PRO 121 HA PRO 121 12.746 17.787 4.098 995 HB2 PRO 121 1HB PRO 121 13.499 18.380 6.573 996 HB3 PRO 121 2HB PRO 121 12.045 17.414 6.287 997 HG2 PRO 121 1HG PRO 121 14.772 16.528 7.136 998 HG3 PRO 121 2HG PRO 121 13.189 15.964 7.693 999 HD2 PRO 121 1HD PRO 121 14.773 14.704 5.776 1000 HD3 PRO 121 2HD PRO 121 13.038 14.433 6.019 1001 H LEU 122 H LEU 122 15.384 16.491 3.189 1002 HA LEU 122 HA LEU 122 17.486 17.122 2.618 1003 HB2 LEU 122 1HB LEU 122 15.909 19.225 2.059 1004 HB3 LEU 122 2HB LEU 122 16.974 19.980 3.228 1005 HG LEU 122 HG LEU 122 17.829 20.413 1.033 1006 HD11 LEU 122 1HD1 LEU 122 20.012 19.915 1.423 1007 HD12 LEU 122 2HD1 LEU 122 19.670 18.239 1.856 1008 HD13 LEU 122 3HD1 LEU 122 19.350 19.532 3.013 1009 HD21 LEU 122 3HD2 LEU 122 18.573 18.449 -0.392 1010 HD22 LEU 122 1HD2 LEU 122 16.839 18.750 -0.304 1011 HD23 LEU 122 2HD2 LEU 122 17.554 17.447 0.641 1012 H ASN 123 H ASN 123 18.185 16.036 4.595 1013 HA ASN 123 HA ASN 123 19.012 17.815 6.769 1014 HB2 ASN 123 1HB ASN 123 18.765 14.825 6.513 1015 HB3 ASN 123 2HB ASN 123 19.699 15.544 7.818 1016 HD21 ASN 123 2HD2 ASN 123 16.836 14.223 7.198 1017 HD22 ASN 123 1HD2 ASN 123 15.833 15.088 8.308
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