NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
494557 | 2ksc | 16306 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 2 H1 ALA 2 -15.527 8.572 -0.492 2 H2 ALA 2 H2 ALA 2 -16.441 7.476 -1.413 3 H3 ALA 2 H3 ALA 2 -16.262 9.084 -1.932 4 HA ALA 2 HA ALA 2 -14.849 7.587 -3.210 5 HB1 ALA 2 HB1 ALA 2 -12.692 8.805 -2.744 6 HB2 ALA 2 HB2 ALA 2 -13.464 9.519 -1.328 7 HB3 ALA 2 HB3 ALA 2 -14.086 9.868 -2.941 8 H SER 3 H SER 3 -15.450 6.487 -0.308 9 HA SER 3 HA SER 3 -12.958 5.309 0.501 10 HB2 SER 3 HB2 SER 3 -15.776 4.522 1.271 11 HB3 SER 3 HB3 SER 3 -14.295 4.078 2.116 12 HG SER 3 HG SER 3 -14.180 6.028 2.941 13 H LEU 4 H LEU 4 -12.600 2.966 0.604 14 HA LEU 4 HA LEU 4 -12.604 1.727 -1.861 15 HB2 LEU 4 HB2 LEU 4 -11.194 0.917 -0.077 16 HB3 LEU 4 HB3 LEU 4 -12.593 0.506 0.909 17 HG LEU 4 HG LEU 4 -13.245 -1.249 -0.631 18 HD11 LEU 4 HD11 LEU 4 -11.593 -1.715 -2.588 19 HD12 LEU 4 HD12 LEU 4 -11.088 -0.040 -2.366 20 HD13 LEU 4 HD13 LEU 4 -12.760 -0.409 -2.786 21 HD21 LEU 4 HD21 LEU 4 -11.406 -1.684 1.041 22 HD22 LEU 4 HD22 LEU 4 -10.241 -1.400 -0.252 23 HD23 LEU 4 HD23 LEU 4 -11.369 -2.752 -0.362 24 H TYR 5 H TYR 5 -14.920 1.236 0.804 25 HA TYR 5 HA TYR 5 -16.556 -0.662 -0.420 26 HB2 TYR 5 HB2 TYR 5 -17.463 1.552 1.434 27 HB3 TYR 5 HB3 TYR 5 -18.266 0.005 1.160 28 HD1 TYR 5 HD1 TYR 5 -15.233 1.622 2.559 29 HD2 TYR 5 HD2 TYR 5 -17.501 -2.010 2.218 30 HE1 TYR 5 HE1 TYR 5 -13.832 0.582 4.321 31 HE2 TYR 5 HE2 TYR 5 -16.099 -3.050 3.979 32 HH TYR 5 HH TYR 5 -13.903 -2.782 4.976 33 H GLU 6 H GLU 6 -16.553 2.861 -0.698 34 HA GLU 6 HA GLU 6 -18.974 3.120 -2.134 35 HB2 GLU 6 HB2 GLU 6 -17.671 4.983 -1.031 36 HB3 GLU 6 HB3 GLU 6 -16.549 4.906 -2.390 37 HG2 GLU 6 HG2 GLU 6 -18.382 5.360 -3.957 38 HG3 GLU 6 HG3 GLU 6 -19.534 5.387 -2.622 39 H LYS 7 H LYS 7 -15.803 2.080 -3.070 40 HA LYS 7 HA LYS 7 -16.198 2.521 -5.903 41 HB2 LYS 7 HB2 LYS 7 -14.115 0.845 -4.480 42 HB3 LYS 7 HB3 LYS 7 -14.065 1.357 -6.164 43 HG2 LYS 7 HG2 LYS 7 -14.283 3.393 -3.942 44 HG3 LYS 7 HG3 LYS 7 -12.718 2.735 -4.408 45 HD2 LYS 7 HD2 LYS 7 -13.212 3.426 -6.782 46 HD3 LYS 7 HD3 LYS 7 -14.659 4.240 -6.186 47 HE2 LYS 7 HE2 LYS 7 -13.348 5.716 -4.803 48 HE3 LYS 7 HE3 LYS 7 -11.875 4.805 -5.138 49 HZ1 LYS 7 HZ1 LYS 7 -13.322 5.797 -7.454 50 HZ2 LYS 7 HZ2 LYS 7 -11.650 5.729 -7.161 51 HZ3 LYS 7 HZ3 LYS 7 -12.584 6.977 -6.485 52 H LEU 8 H LEU 8 -15.925 -0.373 -3.827 53 HA LEU 8 HA LEU 8 -16.884 -2.101 -5.944 54 HB2 LEU 8 HB2 LEU 8 -16.598 -2.854 -3.038 55 HB3 LEU 8 HB3 LEU 8 -16.461 -3.888 -4.461 56 HG LEU 8 HG LEU 8 -14.540 -1.695 -3.632 57 HD11 LEU 8 HD11 LEU 8 -14.080 -4.670 -3.968 58 HD12 LEU 8 HD12 LEU 8 -14.455 -3.917 -2.418 59 HD13 LEU 8 HD13 LEU 8 -12.972 -3.488 -3.271 60 HD21 LEU 8 HD21 LEU 8 -14.590 -1.638 -6.011 61 HD22 LEU 8 HD22 LEU 8 -14.746 -3.391 -6.130 62 HD23 LEU 8 HD23 LEU 8 -13.217 -2.673 -5.620 63 H GLY 9 H GLY 9 -18.123 -0.902 -2.833 64 HA2 GLY 9 HA2 GLY 9 -20.336 -0.433 -2.263 65 HA3 GLY 9 HA3 GLY 9 -20.855 -1.109 -3.805 66 H GLY 10 H GLY 10 -18.697 -2.872 -1.714 67 HA2 GLY 10 HA2 GLY 10 -20.714 -4.365 -0.325 68 HA3 GLY 10 HA3 GLY 10 -20.064 -5.258 -1.697 69 H ALA 11 H ALA 11 -19.832 -5.427 1.381 70 HA ALA 11 HA ALA 11 -17.061 -5.019 1.972 71 HB1 ALA 11 HB1 ALA 11 -18.983 -5.115 3.645 72 HB2 ALA 11 HB2 ALA 11 -17.532 -6.019 4.077 73 HB3 ALA 11 HB3 ALA 11 -18.942 -6.866 3.441 74 H ALA 12 H ALA 12 -18.991 -8.003 1.595 75 HA ALA 12 HA ALA 12 -17.010 -9.891 1.713 76 HB1 ALA 12 HB1 ALA 12 -19.312 -9.893 -0.254 77 HB2 ALA 12 HB2 ALA 12 -19.419 -10.397 1.432 78 HB3 ALA 12 HB3 ALA 12 -18.414 -11.305 0.303 79 H ALA 13 H ALA 13 -17.930 -7.942 -1.108 80 HA ALA 13 HA ALA 13 -16.416 -9.068 -3.097 81 HB1 ALA 13 HB1 ALA 13 -17.913 -7.059 -3.312 82 HB2 ALA 13 HB2 ALA 13 -16.376 -6.911 -4.164 83 HB3 ALA 13 HB3 ALA 13 -16.613 -6.088 -2.622 84 H VAL 14 H VAL 14 -15.312 -7.223 -0.342 85 HA VAL 14 HA VAL 14 -12.631 -6.849 -1.345 86 HB VAL 14 HB VAL 14 -13.738 -6.563 1.459 87 HG11 VAL 14 HG11 VAL 14 -11.125 -5.738 0.168 88 HG12 VAL 14 HG12 VAL 14 -11.345 -6.803 1.557 89 HG13 VAL 14 HG13 VAL 14 -11.695 -5.081 1.703 90 HG21 VAL 14 HG21 VAL 14 -14.007 -4.242 0.958 91 HG22 VAL 14 HG22 VAL 14 -14.717 -5.103 -0.408 92 HG23 VAL 14 HG23 VAL 14 -13.110 -4.392 -0.553 93 H ASP 15 H ASP 15 -14.262 -9.074 0.870 94 HA ASP 15 HA ASP 15 -12.019 -10.398 1.895 95 HB2 ASP 15 HB2 ASP 15 -14.825 -11.374 1.345 96 HB3 ASP 15 HB3 ASP 15 -13.616 -12.338 2.190 97 H LEU 16 H LEU 16 -13.981 -11.149 -0.982 98 HA LEU 16 HA LEU 16 -12.369 -13.377 -1.768 99 HB2 LEU 16 HB2 LEU 16 -14.466 -11.718 -3.165 100 HB3 LEU 16 HB3 LEU 16 -13.599 -13.001 -4.003 101 HG LEU 16 HG LEU 16 -15.798 -13.724 -3.012 102 HD11 LEU 16 HD11 LEU 16 -13.591 -15.199 -3.279 103 HD12 LEU 16 HD12 LEU 16 -15.027 -15.842 -2.492 104 HD13 LEU 16 HD13 LEU 16 -13.686 -15.250 -1.518 105 HD21 LEU 16 HD21 LEU 16 -15.439 -12.225 -0.949 106 HD22 LEU 16 HD22 LEU 16 -14.414 -13.523 -0.334 107 HD23 LEU 16 HD23 LEU 16 -16.119 -13.827 -0.665 108 H ALA 17 H ALA 17 -12.661 -10.035 -2.974 109 HA ALA 17 HA ALA 17 -10.808 -10.070 -5.006 110 HB1 ALA 17 HB1 ALA 17 -11.223 -7.857 -2.981 111 HB2 ALA 17 HB2 ALA 17 -12.173 -8.102 -4.447 112 HB3 ALA 17 HB3 ALA 17 -10.465 -7.675 -4.564 113 H VAL 18 H VAL 18 -10.184 -9.587 -1.538 114 HA VAL 18 HA VAL 18 -7.345 -9.349 -1.867 115 HB VAL 18 HB VAL 18 -9.026 -9.921 0.586 116 HG11 VAL 18 HG11 VAL 18 -6.803 -10.680 1.047 117 HG12 VAL 18 HG12 VAL 18 -6.922 -9.067 1.752 118 HG13 VAL 18 HG13 VAL 18 -6.087 -9.299 0.215 119 HG21 VAL 18 HG21 VAL 18 -9.317 -7.710 -0.677 120 HG22 VAL 18 HG22 VAL 18 -7.647 -7.354 -0.235 121 HG23 VAL 18 HG23 VAL 18 -8.864 -7.576 1.022 122 H GLU 19 H GLU 19 -9.497 -11.943 -0.713 123 HA GLU 19 HA GLU 19 -7.627 -13.870 -0.063 124 HB2 GLU 19 HB2 GLU 19 -10.085 -14.095 0.253 125 HB3 GLU 19 HB3 GLU 19 -10.254 -14.366 -1.482 126 HG2 GLU 19 HG2 GLU 19 -8.915 -16.371 -1.372 127 HG3 GLU 19 HG3 GLU 19 -8.488 -16.052 0.309 128 H LYS 20 H LYS 20 -8.933 -13.060 -3.258 129 HA LYS 20 HA LYS 20 -7.743 -15.136 -4.723 130 HB2 LYS 20 HB2 LYS 20 -8.523 -12.320 -5.488 131 HB3 LYS 20 HB3 LYS 20 -7.904 -13.489 -6.655 132 HG2 LYS 20 HG2 LYS 20 -9.727 -15.013 -6.191 133 HG3 LYS 20 HG3 LYS 20 -10.293 -14.000 -4.863 134 HD2 LYS 20 HD2 LYS 20 -10.799 -12.184 -6.427 135 HD3 LYS 20 HD3 LYS 20 -10.168 -13.139 -7.768 136 HE2 LYS 20 HE2 LYS 20 -12.551 -13.858 -6.035 137 HE3 LYS 20 HE3 LYS 20 -12.613 -13.303 -7.707 138 HZ1 LYS 20 HZ1 LYS 20 -12.772 -15.699 -7.597 139 HZ2 LYS 20 HZ2 LYS 20 -11.308 -15.790 -6.741 140 HZ3 LYS 20 HZ3 LYS 20 -11.321 -15.250 -8.352 141 H PHE 21 H PHE 21 -6.569 -11.815 -4.145 142 HA PHE 21 HA PHE 21 -4.101 -12.121 -5.473 143 HB2 PHE 21 HB2 PHE 21 -5.156 -9.946 -4.762 144 HB3 PHE 21 HB3 PHE 21 -4.650 -10.312 -3.113 145 HD1 PHE 21 HD1 PHE 21 -3.243 -10.215 -6.592 146 HD2 PHE 21 HD2 PHE 21 -2.550 -9.542 -2.406 147 HE1 PHE 21 HE1 PHE 21 -0.979 -9.346 -7.107 148 HE2 PHE 21 HE2 PHE 21 -0.285 -8.673 -2.922 149 HZ PHE 21 HZ PHE 21 0.500 -8.575 -5.272 150 H TYR 22 H TYR 22 -4.867 -12.302 -1.991 151 HA TYR 22 HA TYR 22 -2.376 -12.902 -0.981 152 HB2 TYR 22 HB2 TYR 22 -4.392 -12.557 0.406 153 HB3 TYR 22 HB3 TYR 22 -5.000 -14.132 -0.105 154 HD1 TYR 22 HD1 TYR 22 -2.446 -12.373 1.888 155 HD2 TYR 22 HD2 TYR 22 -3.977 -16.201 0.681 156 HE1 TYR 22 HE1 TYR 22 -1.109 -13.469 3.666 157 HE2 TYR 22 HE2 TYR 22 -2.640 -17.296 2.460 158 HH TYR 22 HH TYR 22 -0.864 -16.964 3.891 159 H GLY 23 H GLY 23 -4.806 -15.255 -2.121 160 HA2 GLY 23 HA2 GLY 23 -3.349 -17.590 -1.748 161 HA3 GLY 23 HA3 GLY 23 -4.567 -17.370 -3.001 162 H LYS 24 H LYS 24 -3.183 -15.230 -4.362 163 HA LYS 24 HA LYS 24 -1.472 -16.813 -6.037 164 HB2 LYS 24 HB2 LYS 24 -2.985 -14.905 -6.785 165 HB3 LYS 24 HB3 LYS 24 -1.775 -13.811 -6.114 166 HG2 LYS 24 HG2 LYS 24 -0.045 -14.898 -7.546 167 HG3 LYS 24 HG3 LYS 24 -1.305 -15.889 -8.277 168 HD2 LYS 24 HD2 LYS 24 -1.623 -12.890 -8.258 169 HD3 LYS 24 HD3 LYS 24 -0.554 -13.635 -9.443 170 HE2 LYS 24 HE2 LYS 24 -3.370 -14.646 -9.060 171 HE3 LYS 24 HE3 LYS 24 -3.031 -13.275 -10.113 172 HZ1 LYS 24 HZ1 LYS 24 -1.655 -14.580 -11.469 173 HZ2 LYS 24 HZ2 LYS 24 -3.028 -15.538 -11.184 174 HZ3 LYS 24 HZ3 LYS 24 -1.585 -15.846 -10.343 175 H VAL 25 H VAL 25 -0.974 -14.142 -3.750 176 HA VAL 25 HA VAL 25 1.788 -13.807 -4.155 177 HB VAL 25 HB VAL 25 0.144 -13.373 -1.649 178 HG11 VAL 25 HG11 VAL 25 2.028 -11.722 -1.170 179 HG12 VAL 25 HG12 VAL 25 2.937 -12.524 -2.451 180 HG13 VAL 25 HG13 VAL 25 2.453 -13.426 -1.015 181 HG21 VAL 25 HG21 VAL 25 1.074 -11.344 -3.694 182 HG22 VAL 25 HG22 VAL 25 -0.123 -11.126 -2.417 183 HG23 VAL 25 HG23 VAL 25 -0.493 -12.146 -3.807 184 H LEU 26 H LEU 26 -0.021 -16.221 -2.433 185 HA LEU 26 HA LEU 26 2.089 -17.158 -0.762 186 HB2 LEU 26 HB2 LEU 26 -0.206 -17.683 -0.204 187 HB3 LEU 26 HB3 LEU 26 -0.447 -18.483 -1.754 188 HG LEU 26 HG LEU 26 1.117 -20.246 -1.152 189 HD11 LEU 26 HD11 LEU 26 1.988 -20.181 1.304 190 HD12 LEU 26 HD12 LEU 26 1.668 -18.449 1.212 191 HD13 LEU 26 HD13 LEU 26 2.818 -19.194 0.102 192 HD21 LEU 26 HD21 LEU 26 -0.879 -19.571 1.027 193 HD22 LEU 26 HD22 LEU 26 -0.049 -21.123 0.914 194 HD23 LEU 26 HD23 LEU 26 -1.138 -20.610 -0.375 195 H ALA 27 H ALA 27 0.856 -18.130 -3.946 196 HA ALA 27 HA ALA 27 2.436 -20.393 -4.362 197 HB1 ALA 27 HB1 ALA 27 1.680 -18.385 -6.492 198 HB2 ALA 27 HB2 ALA 27 0.554 -19.569 -5.828 199 HB3 ALA 27 HB3 ALA 27 1.988 -20.109 -6.702 200 H ASP 28 H ASP 28 3.179 -16.970 -4.831 201 HA ASP 28 HA ASP 28 5.764 -17.483 -6.004 202 HB2 ASP 28 HB2 ASP 28 4.352 -15.420 -6.415 203 HB3 ASP 28 HB3 ASP 28 4.783 -14.898 -4.787 204 H GLU 29 H GLU 29 6.811 -18.819 -4.481 205 HA GLU 29 HA GLU 29 7.132 -18.073 -1.740 206 HB2 GLU 29 HB2 GLU 29 8.641 -20.027 -3.490 207 HB3 GLU 29 HB3 GLU 29 8.899 -19.851 -1.754 208 HG2 GLU 29 HG2 GLU 29 6.482 -20.341 -1.382 209 HG3 GLU 29 HG3 GLU 29 6.302 -20.624 -3.112 210 H ARG 30 H ARG 30 8.300 -16.654 -4.465 211 HA ARG 30 HA ARG 30 11.025 -16.171 -3.716 212 HB2 ARG 30 HB2 ARG 30 9.197 -14.766 -5.676 213 HB3 ARG 30 HB3 ARG 30 10.918 -14.425 -5.499 214 HG2 ARG 30 HG2 ARG 30 11.385 -16.847 -5.968 215 HG3 ARG 30 HG3 ARG 30 9.668 -17.064 -6.310 216 HD2 ARG 30 HD2 ARG 30 11.479 -15.100 -7.741 217 HD3 ARG 30 HD3 ARG 30 11.006 -16.674 -8.374 218 HE ARG 30 HE ARG 30 8.729 -15.085 -7.652 219 HH11 ARG 30 HH11 ARG 30 11.175 -15.616 -10.041 220 HH12 ARG 30 HH12 ARG 30 10.224 -14.999 -11.351 221 HH21 ARG 30 HH21 ARG 30 7.476 -14.275 -9.364 222 HH22 ARG 30 HH22 ARG 30 8.130 -14.240 -10.968 223 H VAL 31 H VAL 31 8.111 -14.106 -3.733 224 HA VAL 31 HA VAL 31 9.389 -11.988 -2.288 225 HB VAL 31 HB VAL 31 7.101 -11.050 -2.129 226 HG11 VAL 31 HG11 VAL 31 7.918 -12.196 -4.815 227 HG12 VAL 31 HG12 VAL 31 8.368 -10.623 -4.156 228 HG13 VAL 31 HG13 VAL 31 6.693 -10.944 -4.606 229 HG21 VAL 31 HG21 VAL 31 5.303 -12.366 -3.370 230 HG22 VAL 31 HG22 VAL 31 5.773 -13.022 -1.802 231 HG23 VAL 31 HG23 VAL 31 6.384 -13.757 -3.283 232 H ASN 32 H ASN 32 7.755 -14.906 -1.412 233 HA ASN 32 HA ASN 32 6.847 -14.246 1.167 234 HB2 ASN 32 HB2 ASN 32 7.889 -16.902 0.152 235 HB3 ASN 32 HB3 ASN 32 6.913 -16.663 1.601 236 HD21 ASN 32 HD21 ASN 32 5.514 -18.273 0.165 237 HD22 ASN 32 HD22 ASN 32 4.376 -17.530 -0.852 238 H ARG 33 H ARG 33 10.029 -14.986 -0.064 239 HA ARG 33 HA ARG 33 11.395 -15.734 2.227 240 HB2 ARG 33 HB2 ARG 33 12.329 -13.964 -0.043 241 HB3 ARG 33 HB3 ARG 33 13.393 -14.696 1.159 242 HG2 ARG 33 HG2 ARG 33 12.548 -16.943 0.491 243 HG3 ARG 33 HG3 ARG 33 11.582 -16.177 -0.770 244 HD2 ARG 33 HD2 ARG 33 13.644 -16.955 -1.772 245 HD3 ARG 33 HD3 ARG 33 13.693 -15.195 -1.705 246 HE ARG 33 HE ARG 33 14.910 -15.954 0.617 247 HH11 ARG 33 HH11 ARG 33 15.286 -16.761 -2.727 248 HH12 ARG 33 HH12 ARG 33 16.987 -17.063 -2.605 249 HH21 ARG 33 HH21 ARG 33 17.141 -16.348 0.784 250 HH22 ARG 33 HH22 ARG 33 18.038 -16.828 -0.618 251 H PHE 34 H PHE 34 10.174 -12.596 1.295 252 HA PHE 34 HA PHE 34 11.646 -11.167 3.346 253 HB2 PHE 34 HB2 PHE 34 9.384 -10.318 1.523 254 HB3 PHE 34 HB3 PHE 34 10.253 -9.240 2.616 255 HD1 PHE 34 HD1 PHE 34 10.657 -11.514 -0.305 256 HD2 PHE 34 HD2 PHE 34 12.400 -8.371 2.049 257 HE1 PHE 34 HE1 PHE 34 12.439 -11.228 -2.005 258 HE2 PHE 34 HE2 PHE 34 14.182 -8.086 0.348 259 HZ PHE 34 HZ PHE 34 14.201 -9.514 -1.679 260 H PHE 35 H PHE 35 8.414 -12.492 2.888 261 HA PHE 35 HA PHE 35 7.364 -11.315 5.310 262 HB2 PHE 35 HB2 PHE 35 6.304 -13.396 3.393 263 HB3 PHE 35 HB3 PHE 35 5.425 -12.874 4.830 264 HD1 PHE 35 HD1 PHE 35 4.619 -10.549 5.044 265 HD2 PHE 35 HD2 PHE 35 6.572 -11.935 1.478 266 HE1 PHE 35 HE1 PHE 35 3.793 -8.558 3.818 267 HE2 PHE 35 HE2 PHE 35 5.746 -9.944 0.252 268 HZ PHE 35 HZ PHE 35 4.356 -8.256 1.422 269 H VAL 36 H VAL 36 9.785 -13.086 5.419 270 HA VAL 36 HA VAL 36 8.929 -15.489 6.776 271 HB VAL 36 HB VAL 36 11.651 -14.197 6.479 272 HG11 VAL 36 HG11 VAL 36 10.763 -16.805 7.729 273 HG12 VAL 36 HG12 VAL 36 11.748 -15.535 8.456 274 HG13 VAL 36 HG13 VAL 36 12.414 -16.540 7.169 275 HG21 VAL 36 HG21 VAL 36 10.579 -16.718 5.195 276 HG22 VAL 36 HG22 VAL 36 12.018 -15.801 4.752 277 HG23 VAL 36 HG23 VAL 36 10.416 -15.137 4.433 278 H ASN 37 H ASN 37 10.237 -12.331 7.700 279 HA ASN 37 HA ASN 37 10.390 -12.955 10.498 280 HB2 ASN 37 HB2 ASN 37 10.409 -10.301 9.044 281 HB3 ASN 37 HB3 ASN 37 10.757 -10.514 10.759 282 HD21 ASN 37 HD21 ASN 37 12.676 -9.494 8.795 283 HD22 ASN 37 HD22 ASN 37 13.958 -10.605 8.735 284 H THR 38 H THR 38 8.063 -11.302 8.405 285 HA THR 38 HA THR 38 6.312 -10.612 10.601 286 HB THR 38 HB THR 38 5.752 -10.570 7.626 287 HG1 THR 38 HG1 THR 38 7.425 -9.217 7.927 288 HG21 THR 38 HG21 THR 38 4.454 -9.250 10.022 289 HG22 THR 38 HG22 THR 38 3.723 -10.423 8.927 290 HG23 THR 38 HG23 THR 38 4.111 -8.802 8.351 291 H ASP 39 H ASP 39 4.350 -11.557 11.119 292 HA ASP 39 HA ASP 39 4.135 -14.378 10.556 293 HB2 ASP 39 HB2 ASP 39 2.160 -14.267 12.041 294 HB3 ASP 39 HB3 ASP 39 3.582 -13.531 12.777 295 H MET 40 H MET 40 1.946 -15.295 9.949 296 HA MET 40 HA MET 40 1.213 -14.313 7.374 297 HB2 MET 40 HB2 MET 40 0.049 -16.442 9.173 298 HB3 MET 40 HB3 MET 40 -0.608 -16.076 7.577 299 HG2 MET 40 HG2 MET 40 1.650 -16.485 6.595 300 HG3 MET 40 HG3 MET 40 2.226 -16.960 8.193 301 HE1 MET 40 HE1 MET 40 2.643 -18.517 5.839 302 HE2 MET 40 HE2 MET 40 1.926 -20.125 5.881 303 HE3 MET 40 HE3 MET 40 2.911 -19.573 7.233 304 H ALA 41 H ALA 41 0.056 -13.749 10.588 305 HA ALA 41 HA ALA 41 -2.579 -12.892 9.955 306 HB1 ALA 41 HB1 ALA 41 -0.761 -12.252 12.286 307 HB2 ALA 41 HB2 ALA 41 -2.041 -13.464 12.232 308 HB3 ALA 41 HB3 ALA 41 -2.449 -11.749 12.189 309 H LYS 42 H LYS 42 0.320 -10.972 10.789 310 HA LYS 42 HA LYS 42 -0.834 -8.495 10.003 311 HB2 LYS 42 HB2 LYS 42 2.081 -9.259 10.303 312 HB3 LYS 42 HB3 LYS 42 1.454 -7.613 10.204 313 HG2 LYS 42 HG2 LYS 42 0.296 -7.821 12.277 314 HG3 LYS 42 HG3 LYS 42 0.511 -9.571 12.305 315 HD2 LYS 42 HD2 LYS 42 2.848 -9.380 12.736 316 HD3 LYS 42 HD3 LYS 42 2.854 -7.661 12.337 317 HE2 LYS 42 HE2 LYS 42 1.312 -8.849 14.660 318 HE3 LYS 42 HE3 LYS 42 2.912 -8.123 14.809 319 HZ1 LYS 42 HZ1 LYS 42 0.988 -6.503 13.393 320 HZ2 LYS 42 HZ2 LYS 42 2.088 -6.070 14.614 321 HZ3 LYS 42 HZ3 LYS 42 0.597 -6.777 15.021 322 H GLN 43 H GLN 43 0.742 -11.044 8.275 323 HA GLN 43 HA GLN 43 1.754 -9.686 6.051 324 HB2 GLN 43 HB2 GLN 43 2.170 -12.069 6.457 325 HB3 GLN 43 HB3 GLN 43 0.468 -12.426 6.161 326 HG2 GLN 43 HG2 GLN 43 0.630 -11.782 3.869 327 HG3 GLN 43 HG3 GLN 43 2.205 -11.031 4.117 328 HE21 GLN 43 HE21 GLN 43 2.245 -13.815 5.953 329 HE22 GLN 43 HE22 GLN 43 2.936 -14.876 4.822 330 H LYS 44 H LYS 44 -1.425 -11.295 6.339 331 HA LYS 44 HA LYS 44 -2.556 -10.554 3.953 332 HB2 LYS 44 HB2 LYS 44 -3.858 -10.715 6.680 333 HB3 LYS 44 HB3 LYS 44 -4.752 -10.593 5.164 334 HG2 LYS 44 HG2 LYS 44 -3.647 -12.662 4.360 335 HG3 LYS 44 HG3 LYS 44 -2.804 -12.796 5.904 336 HD2 LYS 44 HD2 LYS 44 -4.889 -13.058 7.098 337 HD3 LYS 44 HD3 LYS 44 -5.821 -12.704 5.642 338 HE2 LYS 44 HE2 LYS 44 -4.952 -14.731 4.566 339 HE3 LYS 44 HE3 LYS 44 -3.962 -15.077 5.984 340 HZ1 LYS 44 HZ1 LYS 44 -5.687 -16.074 6.914 341 HZ2 LYS 44 HZ2 LYS 44 -6.629 -15.768 5.534 342 HZ3 LYS 44 HZ3 LYS 44 -6.605 -14.651 6.814 343 H GLN 45 H GLN 45 -2.452 -8.638 6.948 344 HA GLN 45 HA GLN 45 -3.961 -6.451 6.200 345 HB2 GLN 45 HB2 GLN 45 -2.832 -6.879 8.438 346 HB3 GLN 45 HB3 GLN 45 -1.362 -6.221 7.720 347 HG2 GLN 45 HG2 GLN 45 -2.571 -4.131 7.178 348 HG3 GLN 45 HG3 GLN 45 -4.023 -4.785 7.934 349 HE21 GLN 45 HE21 GLN 45 -4.059 -3.190 9.653 350 HE22 GLN 45 HE22 GLN 45 -2.888 -3.177 10.882 351 H HIS 46 H HIS 46 -0.689 -7.300 5.250 352 HA HIS 46 HA HIS 46 0.024 -4.807 4.095 353 HB2 HIS 46 HB2 HIS 46 1.605 -6.686 4.683 354 HB3 HIS 46 HB3 HIS 46 1.019 -7.534 3.252 355 HD1 HIS 46 HD1 HIS 46 2.212 -7.003 1.125 356 HD2 HIS 46 HD2 HIS 46 2.673 -3.965 3.942 357 HE1 HIS 46 HE1 HIS 46 3.790 -5.309 0.099 358 H GLN 47 H GLN 47 -1.193 -7.824 2.627 359 HA GLN 47 HA GLN 47 -1.365 -6.879 -0.011 360 HB2 GLN 47 HB2 GLN 47 -2.883 -9.026 1.475 361 HB3 GLN 47 HB3 GLN 47 -3.130 -8.708 -0.243 362 HG2 GLN 47 HG2 GLN 47 -1.473 -10.496 0.062 363 HG3 GLN 47 HG3 GLN 47 -0.716 -9.072 -0.649 364 HE21 GLN 47 HE21 GLN 47 -1.332 -10.496 2.614 365 HE22 GLN 47 HE22 GLN 47 0.149 -9.986 3.268 366 H LYS 48 H LYS 48 -3.354 -6.290 2.757 367 HA LYS 48 HA LYS 48 -5.697 -5.462 1.305 368 HB2 LYS 48 HB2 LYS 48 -5.647 -6.295 3.706 369 HB3 LYS 48 HB3 LYS 48 -4.970 -4.726 4.143 370 HG2 LYS 48 HG2 LYS 48 -6.922 -3.583 3.225 371 HG3 LYS 48 HG3 LYS 48 -7.587 -5.117 2.662 372 HD2 LYS 48 HD2 LYS 48 -7.587 -5.909 5.054 373 HD3 LYS 48 HD3 LYS 48 -7.133 -4.274 5.537 374 HE2 LYS 48 HE2 LYS 48 -9.600 -4.935 3.906 375 HE3 LYS 48 HE3 LYS 48 -9.605 -4.696 5.653 376 HZ1 LYS 48 HZ1 LYS 48 -10.187 -2.665 4.491 377 HZ2 LYS 48 HZ2 LYS 48 -8.722 -2.707 3.632 378 HZ3 LYS 48 HZ3 LYS 48 -8.717 -2.475 5.315 379 H ASP 49 H ASP 49 -3.299 -3.666 3.255 380 HA ASP 49 HA ASP 49 -4.163 -1.102 2.434 381 HB2 ASP 49 HB2 ASP 49 -1.493 -2.041 3.504 382 HB3 ASP 49 HB3 ASP 49 -1.940 -0.349 3.295 383 H PHE 50 H PHE 50 -2.077 -3.464 0.968 384 HA PHE 50 HA PHE 50 -0.787 -1.647 -0.851 385 HB2 PHE 50 HB2 PHE 50 0.257 -3.780 -0.188 386 HB3 PHE 50 HB3 PHE 50 -1.056 -4.661 -0.969 387 HD1 PHE 50 HD1 PHE 50 -1.402 -4.437 -3.451 388 HD2 PHE 50 HD2 PHE 50 2.056 -2.850 -1.458 389 HE1 PHE 50 HE1 PHE 50 -0.225 -4.269 -5.627 390 HE2 PHE 50 HE2 PHE 50 3.233 -2.681 -3.634 391 HZ PHE 50 HZ PHE 50 2.093 -3.391 -5.719 392 H MET 51 H MET 51 -3.267 -4.185 -1.261 393 HA MET 51 HA MET 51 -3.850 -3.666 -3.952 394 HB2 MET 51 HB2 MET 51 -4.623 -5.684 -2.803 395 HB3 MET 51 HB3 MET 51 -5.680 -4.712 -1.778 396 HG2 MET 51 HG2 MET 51 -7.039 -4.060 -3.634 397 HG3 MET 51 HG3 MET 51 -5.868 -4.683 -4.797 398 HE1 MET 51 HE1 MET 51 -8.456 -7.127 -5.656 399 HE2 MET 51 HE2 MET 51 -7.777 -5.518 -5.889 400 HE3 MET 51 HE3 MET 51 -9.162 -5.735 -4.822 401 H THR 52 H THR 52 -4.640 -1.899 -1.102 402 HA THR 52 HA THR 52 -6.917 -0.513 -2.201 403 HB THR 52 HB THR 52 -5.212 0.294 0.162 404 HG1 THR 52 HG1 THR 52 -7.487 -0.926 0.814 405 HG21 THR 52 HG21 THR 52 -8.095 0.836 -0.599 406 HG22 THR 52 HG22 THR 52 -6.775 2.005 -0.646 407 HG23 THR 52 HG23 THR 52 -7.323 1.356 0.899 408 H TYR 53 H TYR 53 -3.608 0.516 -1.328 409 HA TYR 53 HA TYR 53 -3.659 3.080 -2.349 410 HB2 TYR 53 HB2 TYR 53 -1.767 2.128 -1.072 411 HB3 TYR 53 HB3 TYR 53 -1.332 1.147 -2.472 412 HD1 TYR 53 HD1 TYR 53 -0.515 2.209 -4.554 413 HD2 TYR 53 HD2 TYR 53 -1.334 4.506 -1.018 414 HE1 TYR 53 HE1 TYR 53 0.760 4.115 -5.498 415 HE2 TYR 53 HE2 TYR 53 -0.058 6.413 -1.962 416 HH TYR 53 HH TYR 53 1.170 7.143 -3.654 417 H ALA 54 H ALA 54 -3.849 0.122 -4.059 418 HA ALA 54 HA ALA 54 -2.725 0.885 -6.541 419 HB1 ALA 54 HB1 ALA 54 -3.944 -1.004 -7.466 420 HB2 ALA 54 HB2 ALA 54 -4.982 -1.069 -6.042 421 HB3 ALA 54 HB3 ALA 54 -3.268 -1.459 -5.902 422 H PHE 55 H PHE 55 -6.031 1.082 -5.261 423 HA PHE 55 HA PHE 55 -7.081 2.270 -7.668 424 HB2 PHE 55 HB2 PHE 55 -8.208 1.890 -4.890 425 HB3 PHE 55 HB3 PHE 55 -9.104 2.669 -6.194 426 HD1 PHE 55 HD1 PHE 55 -9.811 1.406 -8.177 427 HD2 PHE 55 HD2 PHE 55 -7.708 -0.495 -4.949 428 HE1 PHE 55 HE1 PHE 55 -10.448 -0.818 -9.071 429 HE2 PHE 55 HE2 PHE 55 -8.346 -2.718 -5.843 430 HZ PHE 55 HZ PHE 55 -9.715 -2.880 -7.904 431 H GLY 56 H GLY 56 -4.854 3.510 -5.863 432 HA2 GLY 56 HA2 GLY 56 -4.118 5.698 -5.643 433 HA3 GLY 56 HA3 GLY 56 -5.641 6.242 -6.340 434 H GLY 57 H GLY 57 -5.453 4.093 -3.574 435 HA2 GLY 57 HA2 GLY 57 -7.134 5.786 -1.996 436 HA3 GLY 57 HA3 GLY 57 -6.351 4.303 -1.457 437 H THR 58 H THR 58 -5.465 7.636 -2.387 438 HA THR 58 HA THR 58 -3.132 7.616 -0.687 439 HB THR 58 HB THR 58 -2.803 9.889 -1.440 440 HG1 THR 58 HG1 THR 58 -5.394 9.671 -2.569 441 HG21 THR 58 HG21 THR 58 -3.965 8.248 -3.707 442 HG22 THR 58 HG22 THR 58 -2.347 8.029 -3.042 443 HG23 THR 58 HG23 THR 58 -2.771 9.538 -3.849 444 H ASP 59 H ASP 59 -5.719 7.118 0.601 445 HA ASP 59 HA ASP 59 -6.864 9.214 1.952 446 HB2 ASP 59 HB2 ASP 59 -6.162 6.478 3.039 447 HB3 ASP 59 HB3 ASP 59 -7.278 7.606 3.806 448 H ARG 60 H ARG 60 -4.066 7.323 3.121 449 HA ARG 60 HA ARG 60 -2.880 9.726 4.271 450 HB2 ARG 60 HB2 ARG 60 -3.738 7.379 5.983 451 HB3 ARG 60 HB3 ARG 60 -2.666 8.672 6.521 452 HG2 ARG 60 HG2 ARG 60 -4.527 10.297 5.835 453 HG3 ARG 60 HG3 ARG 60 -5.573 8.881 5.721 454 HD2 ARG 60 HD2 ARG 60 -3.994 9.657 8.188 455 HD3 ARG 60 HD3 ARG 60 -5.706 9.997 7.948 456 HE ARG 60 HE ARG 60 -5.006 7.201 7.649 457 HH11 ARG 60 HH11 ARG 60 -5.913 9.764 9.791 458 HH12 ARG 60 HH12 ARG 60 -6.582 8.710 10.991 459 HH21 ARG 60 HH21 ARG 60 -5.881 5.813 9.219 460 HH22 ARG 60 HH22 ARG 60 -6.564 6.473 10.668 461 H PHE 61 H PHE 61 -0.959 9.547 3.277 462 HA PHE 61 HA PHE 61 0.793 7.366 4.013 463 HB2 PHE 61 HB2 PHE 61 -0.100 7.730 1.147 464 HB3 PHE 61 HB3 PHE 61 1.338 6.821 1.614 465 HD1 PHE 61 HD1 PHE 61 1.110 4.809 3.105 466 HD2 PHE 61 HD2 PHE 61 -2.291 6.811 1.409 467 HE1 PHE 61 HE1 PHE 61 -0.298 2.826 3.589 468 HE2 PHE 61 HE2 PHE 61 -3.699 4.827 1.893 469 HZ PHE 61 HZ PHE 61 -2.703 2.835 2.983 470 HA PRO 62 HA PRO 62 2.673 11.547 2.983 471 HB2 PRO 62 HB2 PRO 62 3.383 12.310 5.501 472 HB3 PRO 62 HB3 PRO 62 1.765 12.614 4.837 473 HG2 PRO 62 HG2 PRO 62 2.667 10.450 6.691 474 HG3 PRO 62 HG3 PRO 62 1.193 11.435 6.746 475 HD2 PRO 62 HD2 PRO 62 1.241 8.876 5.744 476 HD3 PRO 62 HD3 PRO 62 0.092 10.112 5.184 477 H GLY 63 H GLY 63 3.698 8.789 2.955 478 HA2 GLY 63 HA2 GLY 63 5.677 7.605 3.073 479 HA3 GLY 63 HA3 GLY 63 6.405 9.162 2.691 480 H ARG 64 H ARG 64 8.096 9.415 4.014 481 HA ARG 64 HA ARG 64 9.334 9.636 5.934 482 HB2 ARG 64 HB2 ARG 64 7.305 11.068 6.520 483 HB3 ARG 64 HB3 ARG 64 6.716 9.680 7.435 484 HG2 ARG 64 HG2 ARG 64 8.986 9.672 8.614 485 HG3 ARG 64 HG3 ARG 64 9.255 11.258 7.888 486 HD2 ARG 64 HD2 ARG 64 7.026 10.466 9.778 487 HD3 ARG 64 HD3 ARG 64 8.328 11.610 10.088 488 HE ARG 64 HE ARG 64 5.883 12.161 8.704 489 HH11 ARG 64 HH11 ARG 64 9.265 12.875 8.850 490 HH12 ARG 64 HH12 ARG 64 9.101 14.460 8.171 491 HH21 ARG 64 HH21 ARG 64 5.658 14.238 7.813 492 HH22 ARG 64 HH22 ARG 64 7.058 15.232 7.584 493 H SER 65 H SER 65 6.538 7.863 7.242 494 HA SER 65 HA SER 65 8.227 5.983 8.595 495 HB2 SER 65 HB2 SER 65 6.011 4.833 9.060 496 HB3 SER 65 HB3 SER 65 6.141 6.495 9.627 497 HG SER 65 HG SER 65 4.472 5.408 7.786 498 H MET 66 H MET 66 6.328 5.962 5.623 499 HA MET 66 HA MET 66 6.321 3.260 5.010 500 HB2 MET 66 HB2 MET 66 6.760 5.522 3.047 501 HB3 MET 66 HB3 MET 66 6.116 3.921 2.682 502 HG2 MET 66 HG2 MET 66 4.825 5.869 4.612 503 HG3 MET 66 HG3 MET 66 4.341 5.679 2.929 504 HE1 MET 66 HE1 MET 66 3.284 3.161 6.511 505 HE2 MET 66 HE2 MET 66 3.058 4.886 6.235 506 HE3 MET 66 HE3 MET 66 4.686 4.232 6.384 507 H ARG 67 H ARG 67 8.858 5.664 4.357 508 HA ARG 67 HA ARG 67 10.621 3.931 2.994 509 HB2 ARG 67 HB2 ARG 67 11.156 6.428 4.616 510 HB3 ARG 67 HB3 ARG 67 12.365 5.617 3.620 511 HG2 ARG 67 HG2 ARG 67 10.958 5.928 1.629 512 HG3 ARG 67 HG3 ARG 67 9.720 6.707 2.614 513 HD2 ARG 67 HD2 ARG 67 11.153 8.557 3.115 514 HD3 ARG 67 HD3 ARG 67 12.562 7.727 2.460 515 HE ARG 67 HE ARG 67 10.454 8.124 0.523 516 HH11 ARG 67 HH11 ARG 67 13.220 9.469 2.108 517 HH12 ARG 67 HH12 ARG 67 13.593 10.569 0.824 518 HH21 ARG 67 HH21 ARG 67 10.937 9.564 -1.166 519 HH22 ARG 67 HH22 ARG 67 12.301 10.623 -1.030 520 H ALA 68 H ALA 68 10.791 5.087 6.372 521 HA ALA 68 HA ALA 68 12.881 3.485 7.238 522 HB1 ALA 68 HB1 ALA 68 12.084 5.208 8.683 523 HB2 ALA 68 HB2 ALA 68 11.781 3.684 9.518 524 HB3 ALA 68 HB3 ALA 68 10.458 4.525 8.711 525 H ALA 69 H ALA 69 9.393 2.763 7.301 526 HA ALA 69 HA ALA 69 9.481 0.265 8.512 527 HB1 ALA 69 HB1 ALA 69 7.364 -0.199 7.314 528 HB2 ALA 69 HB2 ALA 69 7.647 1.215 6.298 529 HB3 ALA 69 HB3 ALA 69 7.380 1.413 8.030 530 H HIS 70 H HIS 70 9.749 1.055 5.049 531 HA HIS 70 HA HIS 70 10.226 -1.691 4.306 532 HB2 HIS 70 HB2 HIS 70 10.420 0.917 2.791 533 HB3 HIS 70 HB3 HIS 70 10.758 -0.653 2.063 534 HD1 HIS 70 HD1 HIS 70 8.029 1.635 2.735 535 HD2 HIS 70 HD2 HIS 70 8.398 -2.501 2.367 536 HE1 HIS 70 HE1 HIS 70 5.692 0.740 2.346 537 H GLN 71 H GLN 71 12.139 0.967 5.373 538 HA GLN 71 HA GLN 71 14.612 0.351 4.168 539 HB2 GLN 71 HB2 GLN 71 14.009 2.454 5.455 540 HB3 GLN 71 HB3 GLN 71 14.258 1.520 6.930 541 HG2 GLN 71 HG2 GLN 71 16.560 0.995 6.212 542 HG3 GLN 71 HG3 GLN 71 16.314 1.936 4.741 543 HE21 GLN 71 HE21 GLN 71 18.379 2.717 6.469 544 HE22 GLN 71 HE22 GLN 71 17.954 4.165 7.246 545 H ASP 72 H ASP 72 13.112 -0.770 7.178 546 HA ASP 72 HA ASP 72 15.232 -2.175 8.290 547 HB2 ASP 72 HB2 ASP 72 12.271 -2.779 8.292 548 HB3 ASP 72 HB3 ASP 72 13.440 -3.662 9.272 549 H LEU 73 H LEU 73 13.359 -2.886 5.466 550 HA LEU 73 HA LEU 73 14.025 -5.687 5.346 551 HB2 LEU 73 HB2 LEU 73 13.146 -3.989 3.014 552 HB3 LEU 73 HB3 LEU 73 12.873 -5.710 3.284 553 HG LEU 73 HG LEU 73 11.671 -3.443 4.901 554 HD11 LEU 73 HD11 LEU 73 10.686 -3.744 2.647 555 HD12 LEU 73 HD12 LEU 73 9.551 -4.206 3.916 556 HD13 LEU 73 HD13 LEU 73 10.410 -5.449 3.005 557 HD21 LEU 73 HD21 LEU 73 10.312 -5.419 5.847 558 HD22 LEU 73 HD22 LEU 73 11.978 -5.267 6.401 559 HD23 LEU 73 HD23 LEU 73 11.566 -6.456 5.165 560 H VAL 74 H VAL 74 14.964 -2.892 3.325 561 HA VAL 74 HA VAL 74 16.927 -4.113 1.808 562 HB VAL 74 HB VAL 74 17.011 -1.285 2.886 563 HG11 VAL 74 HG11 VAL 74 18.199 -0.910 0.678 564 HG12 VAL 74 HG12 VAL 74 18.284 -2.663 0.507 565 HG13 VAL 74 HG13 VAL 74 19.106 -1.867 1.850 566 HG21 VAL 74 HG21 VAL 74 15.784 -2.318 0.312 567 HG22 VAL 74 HG22 VAL 74 15.713 -0.671 0.940 568 HG23 VAL 74 HG23 VAL 74 14.849 -1.967 1.765 569 H GLU 75 H GLU 75 16.948 -3.446 5.167 570 HA GLU 75 HA GLU 75 19.813 -3.342 5.482 571 HB2 GLU 75 HB2 GLU 75 17.530 -3.662 7.436 572 HB3 GLU 75 HB3 GLU 75 19.224 -3.628 7.928 573 HG2 GLU 75 HG2 GLU 75 17.997 -1.448 6.232 574 HG3 GLU 75 HG3 GLU 75 17.982 -1.388 7.993 575 H ASN 76 H ASN 76 17.297 -5.751 6.267 576 HA ASN 76 HA ASN 76 19.339 -7.798 6.723 577 HB2 ASN 76 HB2 ASN 76 16.327 -8.059 6.834 578 HB3 ASN 76 HB3 ASN 76 17.519 -9.176 7.496 579 HD21 ASN 76 HD21 ASN 76 15.396 -7.622 8.961 580 HD22 ASN 76 HD22 ASN 76 16.233 -6.706 10.118 581 H ALA 77 H ALA 77 16.351 -7.583 4.770 582 HA ALA 77 HA ALA 77 17.269 -9.707 3.018 583 HB1 ALA 77 HB1 ALA 77 14.850 -9.308 3.748 584 HB2 ALA 77 HB2 ALA 77 15.118 -9.606 2.031 585 HB3 ALA 77 HB3 ALA 77 14.843 -7.962 2.608 586 H GLY 78 H GLY 78 18.028 -9.502 0.967 587 HA2 GLY 78 HA2 GLY 78 19.022 -6.903 0.161 588 HA3 GLY 78 HA3 GLY 78 19.294 -8.433 -0.668 589 H LEU 79 H LEU 79 16.584 -6.237 0.098 590 HA LEU 79 HA LEU 79 14.911 -7.046 -2.003 591 HB2 LEU 79 HB2 LEU 79 14.155 -5.694 -0.075 592 HB3 LEU 79 HB3 LEU 79 15.082 -4.325 -0.683 593 HG LEU 79 HG LEU 79 13.726 -4.352 -2.768 594 HD11 LEU 79 HD11 LEU 79 11.498 -5.743 -2.459 595 HD12 LEU 79 HD12 LEU 79 12.497 -6.736 -1.398 596 HD13 LEU 79 HD13 LEU 79 12.941 -6.529 -3.092 597 HD21 LEU 79 HD21 LEU 79 12.986 -2.842 -1.074 598 HD22 LEU 79 HD22 LEU 79 12.305 -4.149 -0.105 599 HD23 LEU 79 HD23 LEU 79 11.536 -3.684 -1.622 600 H THR 80 H THR 80 14.496 -6.144 -4.047 601 HA THR 80 HA THR 80 16.409 -4.182 -5.118 602 HB THR 80 HB THR 80 16.856 -5.610 -7.085 603 HG1 THR 80 HG1 THR 80 16.261 -7.973 -6.222 604 HG21 THR 80 HG21 THR 80 18.291 -5.607 -4.963 605 HG22 THR 80 HG22 THR 80 18.482 -6.994 -6.036 606 HG23 THR 80 HG23 THR 80 17.517 -7.142 -4.567 607 H ASP 81 H ASP 81 15.742 -4.148 -7.706 608 HA ASP 81 HA ASP 81 13.089 -3.019 -7.658 609 HB2 ASP 81 HB2 ASP 81 15.147 -3.357 -9.844 610 HB3 ASP 81 HB3 ASP 81 13.576 -2.600 -10.105 611 H VAL 82 H VAL 82 14.633 -5.635 -9.539 612 HA VAL 82 HA VAL 82 12.501 -6.580 -10.967 613 HB VAL 82 HB VAL 82 14.758 -7.528 -11.135 614 HG11 VAL 82 HG11 VAL 82 14.112 -8.894 -8.505 615 HG12 VAL 82 HG12 VAL 82 15.207 -7.522 -8.671 616 HG13 VAL 82 HG13 VAL 82 15.598 -9.060 -9.439 617 HG21 VAL 82 HG21 VAL 82 14.097 -9.805 -11.506 618 HG22 VAL 82 HG22 VAL 82 12.669 -8.820 -11.821 619 HG23 VAL 82 HG23 VAL 82 12.817 -9.697 -10.298 620 H HIS 83 H HIS 83 12.821 -6.533 -7.562 621 HA HIS 83 HA HIS 83 11.009 -8.708 -7.008 622 HB2 HIS 83 HB2 HIS 83 12.140 -6.487 -5.297 623 HB3 HIS 83 HB3 HIS 83 11.057 -7.735 -4.679 624 HD2 HIS 83 HD2 HIS 83 12.355 -10.396 -6.048 625 HE1 HIS 83 HE1 HIS 83 16.017 -9.094 -4.400 626 HE2 HIS 83 HE2 HIS 83 14.787 -11.083 -5.390 627 H PHE 84 H PHE 84 10.804 -5.174 -7.150 628 HA PHE 84 HA PHE 84 8.113 -4.979 -6.263 629 HB2 PHE 84 HB2 PHE 84 9.644 -3.058 -6.250 630 HB3 PHE 84 HB3 PHE 84 9.712 -3.094 -8.012 631 HD1 PHE 84 HD1 PHE 84 7.622 -2.674 -9.348 632 HD2 PHE 84 HD2 PHE 84 7.794 -2.077 -5.098 633 HE1 PHE 84 HE1 PHE 84 5.560 -1.300 -9.458 634 HE2 PHE 84 HE2 PHE 84 5.732 -0.703 -5.207 635 HZ PHE 84 HZ PHE 84 4.615 -0.315 -7.387 636 H ASP 85 H ASP 85 9.602 -5.355 -9.442 637 HA ASP 85 HA ASP 85 7.227 -4.965 -10.959 638 HB2 ASP 85 HB2 ASP 85 9.525 -4.815 -11.900 639 HB3 ASP 85 HB3 ASP 85 9.692 -6.558 -11.697 640 H ALA 86 H ALA 86 8.590 -7.684 -9.257 641 HA ALA 86 HA ALA 86 7.143 -9.751 -10.556 642 HB1 ALA 86 HB1 ALA 86 9.134 -10.101 -9.082 643 HB2 ALA 86 HB2 ALA 86 7.762 -11.127 -8.664 644 HB3 ALA 86 HB3 ALA 86 8.123 -9.699 -7.693 645 H ILE 87 H ILE 87 6.599 -8.379 -7.301 646 HA ILE 87 HA ILE 87 4.054 -9.494 -6.929 647 HB ILE 87 HB ILE 87 5.439 -8.503 -5.121 648 HG12 ILE 87 HG12 ILE 87 2.771 -7.086 -5.316 649 HG13 ILE 87 HG13 ILE 87 2.900 -8.816 -5.000 650 HG21 ILE 87 HG21 ILE 87 4.486 -5.838 -6.201 651 HG22 ILE 87 HG22 ILE 87 6.097 -6.485 -6.512 652 HG23 ILE 87 HG23 ILE 87 5.599 -6.117 -4.861 653 HD11 ILE 87 HD11 ILE 87 4.086 -6.586 -3.323 654 HD12 ILE 87 HD12 ILE 87 4.366 -8.304 -3.040 655 HD13 ILE 87 HD13 ILE 87 2.742 -7.636 -2.874 656 H ALA 88 H ALA 88 5.077 -6.543 -8.536 657 HA ALA 88 HA ALA 88 2.549 -5.292 -8.728 658 HB1 ALA 88 HB1 ALA 88 4.884 -5.096 -10.645 659 HB2 ALA 88 HB2 ALA 88 4.706 -4.146 -9.170 660 HB3 ALA 88 HB3 ALA 88 3.556 -3.946 -10.492 661 H GLU 89 H GLU 89 4.223 -7.626 -10.795 662 HA GLU 89 HA GLU 89 2.379 -7.584 -12.941 663 HB2 GLU 89 HB2 GLU 89 4.704 -8.588 -12.959 664 HB3 GLU 89 HB3 GLU 89 4.036 -9.955 -12.067 665 HG2 GLU 89 HG2 GLU 89 2.457 -10.413 -13.864 666 HG3 GLU 89 HG3 GLU 89 2.986 -8.976 -14.737 667 H ASN 90 H ASN 90 2.688 -9.801 -10.163 668 HA ASN 90 HA ASN 90 0.643 -11.553 -10.627 669 HB2 ASN 90 HB2 ASN 90 1.114 -10.282 -7.927 670 HB3 ASN 90 HB3 ASN 90 0.508 -11.903 -8.264 671 HD21 ASN 90 HD21 ASN 90 2.826 -11.546 -6.650 672 HD22 ASN 90 HD22 ASN 90 4.174 -12.129 -7.502 673 H LEU 91 H LEU 91 0.355 -8.283 -9.276 674 HA LEU 91 HA LEU 91 -2.378 -8.316 -8.688 675 HB2 LEU 91 HB2 LEU 91 -0.977 -6.503 -7.921 676 HB3 LEU 91 HB3 LEU 91 -0.581 -6.046 -9.575 677 HG LEU 91 HG LEU 91 -2.872 -5.360 -9.998 678 HD11 LEU 91 HD11 LEU 91 -4.224 -6.901 -8.824 679 HD12 LEU 91 HD12 LEU 91 -4.460 -5.399 -7.934 680 HD13 LEU 91 HD13 LEU 91 -3.370 -6.634 -7.305 681 HD21 LEU 91 HD21 LEU 91 -3.022 -3.486 -8.466 682 HD22 LEU 91 HD22 LEU 91 -1.317 -3.796 -8.790 683 HD23 LEU 91 HD23 LEU 91 -2.037 -4.330 -7.271 684 H VAL 92 H VAL 92 -0.699 -7.399 -11.687 685 HA VAL 92 HA VAL 92 -2.905 -6.594 -13.189 686 HB VAL 92 HB VAL 92 -0.440 -8.059 -14.162 687 HG11 VAL 92 HG11 VAL 92 -2.138 -8.020 -15.883 688 HG12 VAL 92 HG12 VAL 92 -0.955 -6.770 -16.271 689 HG13 VAL 92 HG13 VAL 92 -2.503 -6.326 -15.551 690 HG21 VAL 92 HG21 VAL 92 -1.004 -5.087 -13.907 691 HG22 VAL 92 HG22 VAL 92 0.485 -5.819 -14.504 692 HG23 VAL 92 HG23 VAL 92 0.026 -6.009 -12.812 693 H LEU 93 H LEU 93 -1.534 -9.844 -12.757 694 HA LEU 93 HA LEU 93 -3.346 -11.149 -14.520 695 HB2 LEU 93 HB2 LEU 93 -2.000 -12.464 -12.164 696 HB3 LEU 93 HB3 LEU 93 -2.427 -13.172 -13.722 697 HG LEU 93 HG LEU 93 -0.292 -11.084 -13.208 698 HD11 LEU 93 HD11 LEU 93 -0.106 -13.910 -14.292 699 HD12 LEU 93 HD12 LEU 93 0.256 -13.456 -12.626 700 HD13 LEU 93 HD13 LEU 93 1.241 -12.826 -13.947 701 HD21 LEU 93 HD21 LEU 93 -1.459 -12.211 -15.761 702 HD22 LEU 93 HD22 LEU 93 0.162 -11.518 -15.708 703 HD23 LEU 93 HD23 LEU 93 -1.238 -10.519 -15.319 704 H THR 94 H THR 94 -3.630 -9.978 -11.292 705 HA THR 94 HA THR 94 -5.714 -11.736 -10.423 706 HB THR 94 HB THR 94 -5.230 -8.940 -9.398 707 HG1 THR 94 HG1 THR 94 -3.711 -11.278 -9.169 708 HG21 THR 94 HG21 THR 94 -5.978 -9.948 -7.281 709 HG22 THR 94 HG22 THR 94 -6.150 -11.511 -8.081 710 HG23 THR 94 HG23 THR 94 -7.194 -10.165 -8.540 711 H LEU 95 H LEU 95 -5.666 -8.441 -11.768 712 HA LEU 95 HA LEU 95 -8.494 -8.100 -11.714 713 HB2 LEU 95 HB2 LEU 95 -6.629 -6.696 -13.623 714 HB3 LEU 95 HB3 LEU 95 -8.119 -6.092 -12.898 715 HG LEU 95 HG LEU 95 -5.511 -6.662 -11.460 716 HD11 LEU 95 HD11 LEU 95 -7.029 -4.146 -12.177 717 HD12 LEU 95 HD12 LEU 95 -5.368 -4.567 -12.594 718 HD13 LEU 95 HD13 LEU 95 -5.787 -4.174 -10.926 719 HD21 LEU 95 HD21 LEU 95 -7.231 -7.265 -9.929 720 HD22 LEU 95 HD22 LEU 95 -8.275 -5.945 -10.459 721 HD23 LEU 95 HD23 LEU 95 -6.826 -5.600 -9.514 722 H GLN 96 H GLN 96 -6.323 -9.721 -13.861 723 HA GLN 96 HA GLN 96 -8.013 -9.682 -16.178 724 HB2 GLN 96 HB2 GLN 96 -5.633 -11.357 -15.371 725 HB3 GLN 96 HB3 GLN 96 -6.493 -11.606 -16.891 726 HG2 GLN 96 HG2 GLN 96 -6.019 -9.348 -17.607 727 HG3 GLN 96 HG3 GLN 96 -5.349 -8.937 -16.029 728 HE21 GLN 96 HE21 GLN 96 -3.721 -8.572 -18.283 729 HE22 GLN 96 HE22 GLN 96 -2.493 -9.744 -18.293 730 H GLU 97 H GLU 97 -7.813 -11.609 -13.299 731 HA GLU 97 HA GLU 97 -9.278 -13.861 -14.331 732 HB2 GLU 97 HB2 GLU 97 -8.557 -12.973 -11.534 733 HB3 GLU 97 HB3 GLU 97 -9.477 -14.440 -11.871 734 HG2 GLU 97 HG2 GLU 97 -7.672 -15.397 -13.116 735 HG3 GLU 97 HG3 GLU 97 -6.798 -13.867 -13.153 736 H LEU 98 H LEU 98 -10.057 -10.845 -12.729 737 HA LEU 98 HA LEU 98 -12.791 -11.570 -12.158 738 HB2 LEU 98 HB2 LEU 98 -11.669 -8.772 -12.276 739 HB3 LEU 98 HB3 LEU 98 -13.031 -9.361 -11.324 740 HG LEU 98 HG LEU 98 -10.127 -10.155 -10.950 741 HD11 LEU 98 HD11 LEU 98 -10.566 -7.892 -10.155 742 HD12 LEU 98 HD12 LEU 98 -10.416 -8.970 -8.767 743 HD13 LEU 98 HD13 LEU 98 -12.010 -8.439 -9.303 744 HD21 LEU 98 HD21 LEU 98 -11.424 -12.044 -10.324 745 HD22 LEU 98 HD22 LEU 98 -12.706 -11.043 -9.642 746 HD23 LEU 98 HD23 LEU 98 -11.158 -11.182 -8.809 747 H ASN 99 H ASN 99 -11.295 -11.148 -14.995 748 HA ASN 99 HA ASN 99 -11.999 -10.700 -17.132 749 HB2 ASN 99 HB2 ASN 99 -13.954 -12.098 -16.268 750 HB3 ASN 99 HB3 ASN 99 -14.802 -10.572 -16.028 751 HD21 ASN 99 HD21 ASN 99 -16.262 -11.682 -17.774 752 HD22 ASN 99 HD22 ASN 99 -15.853 -11.383 -19.394 753 H VAL 100 H VAL 100 -10.962 -8.530 -16.080 754 HA VAL 100 HA VAL 100 -12.891 -6.315 -16.514 755 HB VAL 100 HB VAL 100 -10.255 -6.391 -15.023 756 HG11 VAL 100 HG11 VAL 100 -10.958 -4.019 -14.401 757 HG12 VAL 100 HG12 VAL 100 -12.129 -4.116 -15.715 758 HG13 VAL 100 HG13 VAL 100 -10.404 -4.235 -16.061 759 HG21 VAL 100 HG21 VAL 100 -13.013 -5.717 -13.976 760 HG22 VAL 100 HG22 VAL 100 -11.569 -6.136 -13.055 761 HG23 VAL 100 HG23 VAL 100 -12.406 -7.373 -13.992 762 H SER 101 H SER 101 -12.618 -4.993 -18.205 763 HA SER 101 HA SER 101 -11.103 -5.557 -20.414 764 HB2 SER 101 HB2 SER 101 -12.730 -3.905 -20.728 765 HB3 SER 101 HB3 SER 101 -12.186 -2.969 -19.339 766 HG SER 101 HG SER 101 -11.323 -2.950 -21.938 767 H GLN 102 H GLN 102 -9.219 -4.463 -21.341 768 HA GLN 102 HA GLN 102 -7.024 -4.441 -19.476 769 HB2 GLN 102 HB2 GLN 102 -6.940 -5.311 -21.861 770 HB3 GLN 102 HB3 GLN 102 -6.943 -3.625 -22.382 771 HG2 GLN 102 HG2 GLN 102 -4.645 -4.245 -22.254 772 HG3 GLN 102 HG3 GLN 102 -4.957 -3.283 -20.810 773 HE21 GLN 102 HE21 GLN 102 -4.325 -4.235 -18.868 774 HE22 GLN 102 HE22 GLN 102 -4.049 -5.896 -18.649 775 H ASP 103 H ASP 103 -8.621 -2.020 -21.535 776 HA ASP 103 HA ASP 103 -7.061 0.190 -21.144 777 HB2 ASP 103 HB2 ASP 103 -10.086 0.123 -21.057 778 HB3 ASP 103 HB3 ASP 103 -9.096 1.542 -21.390 779 H LEU 104 H LEU 104 -9.441 -1.153 -18.890 780 HA LEU 104 HA LEU 104 -9.135 0.932 -16.947 781 HB2 LEU 104 HB2 LEU 104 -10.150 -1.860 -16.415 782 HB3 LEU 104 HB3 LEU 104 -10.563 -0.371 -15.566 783 HG LEU 104 HG LEU 104 -11.244 -1.011 -18.452 784 HD11 LEU 104 HD11 LEU 104 -13.611 -0.832 -17.470 785 HD12 LEU 104 HD12 LEU 104 -12.844 -0.970 -15.887 786 HD13 LEU 104 HD13 LEU 104 -12.694 -2.280 -17.057 787 HD21 LEU 104 HD21 LEU 104 -12.687 1.113 -18.098 788 HD22 LEU 104 HD22 LEU 104 -10.958 1.341 -18.345 789 HD23 LEU 104 HD23 LEU 104 -11.636 1.436 -16.719 790 H ILE 105 H ILE 105 -7.711 -2.265 -17.435 791 HA ILE 105 HA ILE 105 -6.311 -2.312 -14.937 792 HB ILE 105 HB ILE 105 -5.892 -3.868 -17.501 793 HG12 ILE 105 HG12 ILE 105 -7.090 -4.741 -14.858 794 HG13 ILE 105 HG13 ILE 105 -8.064 -4.144 -16.202 795 HG21 ILE 105 HG21 ILE 105 -4.652 -5.431 -15.895 796 HG22 ILE 105 HG22 ILE 105 -4.619 -4.078 -14.764 797 HG23 ILE 105 HG23 ILE 105 -3.814 -3.941 -16.327 798 HD11 ILE 105 HD11 ILE 105 -8.005 -6.563 -16.333 799 HD12 ILE 105 HD12 ILE 105 -6.246 -6.568 -16.214 800 HD13 ILE 105 HD13 ILE 105 -7.030 -5.918 -17.653 801 H ASP 106 H ASP 106 -5.754 -0.843 -18.007 802 HA ASP 106 HA ASP 106 -2.914 -0.628 -17.861 803 HB2 ASP 106 HB2 ASP 106 -4.995 0.954 -19.380 804 HB3 ASP 106 HB3 ASP 106 -3.259 1.203 -19.559 805 H GLU 107 H GLU 107 -5.588 1.519 -16.942 806 HA GLU 107 HA GLU 107 -4.016 3.718 -16.133 807 HB2 GLU 107 HB2 GLU 107 -6.730 2.830 -15.124 808 HB3 GLU 107 HB3 GLU 107 -6.016 4.424 -14.878 809 HG2 GLU 107 HG2 GLU 107 -6.026 4.880 -17.241 810 HG3 GLU 107 HG3 GLU 107 -6.477 3.217 -17.616 811 H VAL 108 H VAL 108 -5.111 0.826 -14.425 812 HA VAL 108 HA VAL 108 -4.436 1.528 -11.812 813 HB VAL 108 HB VAL 108 -4.262 -1.175 -13.165 814 HG11 VAL 108 HG11 VAL 108 -2.989 -1.303 -11.143 815 HG12 VAL 108 HG12 VAL 108 -4.577 -1.969 -10.760 816 HG13 VAL 108 HG13 VAL 108 -4.166 -0.328 -10.261 817 HG21 VAL 108 HG21 VAL 108 -6.431 0.001 -11.403 818 HG22 VAL 108 HG22 VAL 108 -6.493 -1.515 -12.302 819 HG23 VAL 108 HG23 VAL 108 -6.493 0.023 -13.165 820 H VAL 109 H VAL 109 -2.425 0.011 -14.326 821 HA VAL 109 HA VAL 109 -0.094 -0.363 -12.847 822 HB VAL 109 HB VAL 109 -0.391 0.368 -15.770 823 HG11 VAL 109 HG11 VAL 109 1.859 -0.841 -15.890 824 HG12 VAL 109 HG12 VAL 109 1.937 -0.664 -14.137 825 HG13 VAL 109 HG13 VAL 109 1.886 0.767 -15.167 826 HG21 VAL 109 HG21 VAL 109 -1.571 -1.709 -14.964 827 HG22 VAL 109 HG22 VAL 109 -0.006 -2.329 -14.436 828 HG23 VAL 109 HG23 VAL 109 -0.303 -2.026 -16.148 829 H THR 110 H THR 110 -1.316 2.524 -14.474 830 HA THR 110 HA THR 110 0.967 4.141 -14.262 831 HB THR 110 HB THR 110 -1.879 5.122 -14.011 832 HG1 THR 110 HG1 THR 110 -1.479 3.597 -15.771 833 HG21 THR 110 HG21 THR 110 0.609 6.319 -15.262 834 HG22 THR 110 HG22 THR 110 -0.054 6.770 -13.691 835 HG23 THR 110 HG23 THR 110 -0.975 7.088 -15.161 836 H ILE 111 H ILE 111 -1.848 3.938 -12.073 837 HA ILE 111 HA ILE 111 -1.074 5.713 -10.121 838 HB ILE 111 HB ILE 111 -2.429 3.031 -9.747 839 HG12 ILE 111 HG12 ILE 111 -3.627 5.809 -9.935 840 HG13 ILE 111 HG13 ILE 111 -3.484 4.727 -11.321 841 HG21 ILE 111 HG21 ILE 111 -3.357 4.216 -7.689 842 HG22 ILE 111 HG22 ILE 111 -2.103 5.432 -7.933 843 HG23 ILE 111 HG23 ILE 111 -1.656 3.759 -7.599 844 HD11 ILE 111 HD11 ILE 111 -4.761 2.998 -10.010 845 HD12 ILE 111 HD12 ILE 111 -5.698 4.445 -10.383 846 HD13 ILE 111 HD13 ILE 111 -5.032 4.219 -8.766 847 H VAL 112 H VAL 112 -0.398 2.203 -10.044 848 HA VAL 112 HA VAL 112 1.482 2.463 -7.894 849 HB VAL 112 HB VAL 112 1.954 0.073 -8.349 850 HG11 VAL 112 HG11 VAL 112 -0.963 0.904 -8.338 851 HG12 VAL 112 HG12 VAL 112 0.058 0.613 -6.929 852 HG13 VAL 112 HG13 VAL 112 -0.398 -0.728 -7.980 853 HG21 VAL 112 HG21 VAL 112 0.506 -1.007 -10.136 854 HG22 VAL 112 HG22 VAL 112 1.811 0.006 -10.752 855 HG23 VAL 112 HG23 VAL 112 0.156 0.617 -10.728 856 H GLY 113 H GLY 113 1.654 3.041 -11.219 857 HA2 GLY 113 HA2 GLY 113 4.413 2.285 -11.615 858 HA3 GLY 113 HA3 GLY 113 3.408 3.205 -12.732 859 H SER 114 H SER 114 3.290 4.467 -9.603 860 HA SER 114 HA SER 114 4.424 6.940 -10.309 861 HB2 SER 114 HB2 SER 114 4.090 5.774 -7.537 862 HB3 SER 114 HB3 SER 114 4.300 7.478 -7.931 863 HG SER 114 HG SER 114 2.282 7.576 -8.550 864 H VAL 115 H VAL 115 6.437 7.796 -10.113 865 HA VAL 115 HA VAL 115 8.653 5.977 -9.867 866 HB VAL 115 HB VAL 115 8.599 8.994 -10.119 867 HG11 VAL 115 HG11 VAL 115 10.960 8.542 -10.998 868 HG12 VAL 115 HG12 VAL 115 10.808 6.935 -10.289 869 HG13 VAL 115 HG13 VAL 115 10.736 8.364 -9.258 870 HG21 VAL 115 HG21 VAL 115 7.560 7.898 -12.038 871 HG22 VAL 115 HG22 VAL 115 8.908 6.768 -12.158 872 HG23 VAL 115 HG23 VAL 115 9.159 8.479 -12.503 873 H GLN 116 H GLN 116 7.070 8.332 -7.818 874 HA GLN 116 HA GLN 116 9.113 8.606 -5.871 875 HB2 GLN 116 HB2 GLN 116 7.155 10.135 -6.097 876 HB3 GLN 116 HB3 GLN 116 6.123 8.848 -5.471 877 HG2 GLN 116 HG2 GLN 116 7.357 8.806 -3.378 878 HG3 GLN 116 HG3 GLN 116 8.523 9.972 -4.001 879 HE21 GLN 116 HE21 GLN 116 7.700 11.189 -1.951 880 HE22 GLN 116 HE22 GLN 116 6.337 12.180 -2.154 881 H HIS 117 H HIS 117 6.070 6.740 -5.686 882 HA HIS 117 HA HIS 117 6.512 5.363 -3.354 883 HB2 HIS 117 HB2 HIS 117 4.463 5.262 -4.847 884 HB3 HIS 117 HB3 HIS 117 5.331 4.072 -5.818 885 HD1 HIS 117 HD1 HIS 117 5.709 4.188 -2.084 886 HD2 HIS 117 HD2 HIS 117 3.709 1.909 -4.942 887 HE1 HIS 117 HE1 HIS 117 4.826 2.154 -0.873 888 H ARG 118 H ARG 118 7.751 4.591 -6.581 889 HA ARG 118 HA ARG 118 8.975 2.127 -5.850 890 HB2 ARG 118 HB2 ARG 118 8.428 2.850 -8.197 891 HB3 ARG 118 HB3 ARG 118 9.784 3.975 -8.104 892 HG2 ARG 118 HG2 ARG 118 11.304 2.077 -7.606 893 HG3 ARG 118 HG3 ARG 118 9.944 0.965 -7.769 894 HD2 ARG 118 HD2 ARG 118 9.677 1.479 -10.084 895 HD3 ARG 118 HD3 ARG 118 10.745 2.874 -9.970 896 HE ARG 118 HE ARG 118 12.173 0.546 -9.229 897 HH11 ARG 118 HH11 ARG 118 10.710 2.101 -11.953 898 HH12 ARG 118 HH12 ARG 118 11.801 1.410 -13.108 899 HH21 ARG 118 HH21 ARG 118 13.607 -0.364 -10.738 900 HH22 ARG 118 HH22 ARG 118 13.440 0.015 -12.420 901 H ASN 119 H ASN 119 10.176 5.459 -6.113 902 HA ASN 119 HA ASN 119 12.880 4.906 -5.532 903 HB2 ASN 119 HB2 ASN 119 11.216 7.393 -5.099 904 HB3 ASN 119 HB3 ASN 119 12.961 7.329 -4.863 905 HD21 ASN 119 HD21 ASN 119 12.088 9.080 -6.810 906 HD22 ASN 119 HD22 ASN 119 12.408 8.459 -8.357 907 H ASP 120 H ASP 120 10.060 5.210 -3.510 908 HA ASP 120 HA ASP 120 11.400 5.658 -1.039 909 HB2 ASP 120 HB2 ASP 120 8.722 4.322 -1.483 910 HB3 ASP 120 HB3 ASP 120 9.288 5.093 -0.003 911 H VAL 121 H VAL 121 10.401 2.756 -2.792 912 HA VAL 121 HA VAL 121 10.899 0.856 -0.786 913 HB VAL 121 HB VAL 121 11.228 0.553 -3.781 914 HG11 VAL 121 HG11 VAL 121 10.962 -1.411 -1.495 915 HG12 VAL 121 HG12 VAL 121 12.239 -1.327 -2.709 916 HG13 VAL 121 HG13 VAL 121 10.620 -1.856 -3.167 917 HG21 VAL 121 HG21 VAL 121 8.922 -0.070 -3.830 918 HG22 VAL 121 HG22 VAL 121 8.987 1.413 -2.879 919 HG23 VAL 121 HG23 VAL 121 8.831 -0.146 -2.070 920 H LEU 122 H LEU 122 13.036 2.051 -3.379 921 HA LEU 122 HA LEU 122 15.304 0.557 -2.467 922 HB2 LEU 122 HB2 LEU 122 15.440 3.026 -4.192 923 HB3 LEU 122 HB3 LEU 122 16.500 1.615 -4.202 924 HG LEU 122 HG LEU 122 13.593 1.683 -5.065 925 HD11 LEU 122 HD11 LEU 122 14.670 0.985 -7.267 926 HD12 LEU 122 HD12 LEU 122 16.221 1.415 -6.546 927 HD13 LEU 122 HD13 LEU 122 14.979 2.648 -6.767 928 HD21 LEU 122 HD21 LEU 122 13.953 -0.460 -4.087 929 HD22 LEU 122 HD22 LEU 122 15.587 -0.570 -4.740 930 HD23 LEU 122 HD23 LEU 122 14.196 -0.706 -5.816 931 H ASN 123 H ASN 123 13.794 3.406 -1.406 932 HA ASN 123 HA ASN 123 14.375 5.041 0.101 933 HB2 ASN 123 HB2 ASN 123 16.194 2.782 0.941 934 HB3 ASN 123 HB3 ASN 123 16.076 4.296 1.837 935 HD21 ASN 123 HD21 ASN 123 15.049 1.314 2.249 936 HD22 ASN 123 HD22 ASN 123 13.459 1.561 2.791 937 H ARG 124 H ARG 124 15.193 6.626 -1.236 938 HA ARG 124 HA ARG 124 18.078 7.034 -1.100 939 HB2 ARG 124 HB2 ARG 124 16.606 6.820 -3.739 940 HB3 ARG 124 HB3 ARG 124 18.240 7.456 -3.552 941 HG2 ARG 124 HG2 ARG 124 18.812 5.234 -2.407 942 HG3 ARG 124 HG3 ARG 124 17.269 4.643 -3.024 943 HD2 ARG 124 HD2 ARG 124 18.926 4.035 -4.645 944 HD3 ARG 124 HD3 ARG 124 18.026 5.386 -5.327 945 HE ARG 124 HE ARG 124 20.221 6.452 -3.953 946 HH11 ARG 124 HH11 ARG 124 19.528 4.390 -6.645 947 HH12 ARG 124 HH12 ARG 124 20.956 4.826 -7.523 948 HH21 ARG 124 HH21 ARG 124 22.096 7.028 -5.100 949 HH22 ARG 124 HH22 ARG 124 22.409 6.320 -6.649 950 HHA HEB 125 HHA HEB 125 4.356 -2.886 6.686 951 HHB HEB 125 HHB HEB 125 1.908 1.075 2.401 952 HHC HEB 125 HHC HEB 125 5.144 -1.906 -2.170 953 HHD HEB 125 HHD HEB 125 7.594 -5.822 2.104 954 HMA1 HEB 125 HMA1 HEB 125 1.520 1.467 6.136 955 HMA2 HEB 125 HMA2 HEB 125 0.418 0.878 4.893 956 HMA3 HEB 125 HMA3 HEB 125 1.713 1.999 4.475 957 HAA1 HEB 125 HAA1 HEB 125 2.467 -1.928 7.530 958 HAA2 HEB 125 HAA2 HEB 125 1.591 -0.422 7.390 959 HBA1 HEB 125 HBA1 HEB 125 3.745 0.810 7.700 960 HBA2 HEB 125 HBA2 HEB 125 4.542 -0.738 7.975 961 HMB1 HEB 125 HMB1 HEB 125 0.842 1.439 -0.130 962 HMB2 HEB 125 HMB2 HEB 125 2.028 2.210 -1.184 963 HMB3 HEB 125 HMB3 HEB 125 2.099 2.470 0.555 964 HAB2 HEB 125 HAB2 HEB 125 3.846 -0.473 -3.114 965 HBB1 HEB 125 HBB1 HEB 125 1.188 0.152 -2.283 966 HBB2 HEB 125 HBB2 HEB 125 1.746 -0.239 -3.909 967 HBB3 HEB 125 HBB3 HEB 125 1.713 1.436 -3.369 968 HMC1 HEB 125 HMC1 HEB 125 6.010 -4.292 -3.207 969 HMC2 HEB 125 HMC2 HEB 125 7.728 -4.550 -2.902 970 HMC3 HEB 125 HMC3 HEB 125 7.089 -2.910 -3.019 971 HAC HEB 125 HAC HEB 125 9.093 -5.619 -0.366 972 HBC1 HEB 125 HBC1 HEB 125 6.556 -7.190 -1.183 973 HBC2 HEB 125 HBC2 HEB 125 8.309 -7.805 -1.183 974 HMD1 HEB 125 HMD1 HEB 125 8.533 -6.311 4.119 975 HMD2 HEB 125 HMD2 HEB 125 7.201 -7.378 4.563 976 HMD3 HEB 125 HMD3 HEB 125 8.059 -6.462 5.801 977 HAD1 HEB 125 HAD1 HEB 125 6.271 -6.098 7.152 978 HAD2 HEB 125 HAD2 HEB 125 4.962 -4.965 7.401 979 HBD1 HEB 125 HBD1 HEB 125 6.684 -3.151 7.691 980 HBD2 HEB 125 HBD2 HEB 125 7.923 -4.403 7.640 Start of MODEL 2 1 H1 ALA 2 H1 ALA 2 -12.255 7.188 3.975 2 H2 ALA 2 H2 ALA 2 -10.612 7.524 4.252 3 H3 ALA 2 H3 ALA 2 -11.811 8.515 4.935 4 HA ALA 2 HA ALA 2 -10.921 7.077 6.625 5 HB1 ALA 2 HB1 ALA 2 -13.177 5.686 6.939 6 HB2 ALA 2 HB2 ALA 2 -13.723 6.743 5.637 7 HB3 ALA 2 HB3 ALA 2 -13.143 7.437 7.152 8 H SER 3 H SER 3 -12.983 4.811 4.870 9 HA SER 3 HA SER 3 -10.698 2.940 4.692 10 HB2 SER 3 HB2 SER 3 -12.256 2.320 6.526 11 HB3 SER 3 HB3 SER 3 -13.565 2.227 5.352 12 HG SER 3 HG SER 3 -11.139 0.760 5.192 13 H LEU 4 H LEU 4 -10.665 1.546 2.914 14 HA LEU 4 HA LEU 4 -11.549 2.548 0.469 15 HB2 LEU 4 HB2 LEU 4 -9.740 0.846 0.777 16 HB3 LEU 4 HB3 LEU 4 -10.982 -0.355 1.120 17 HG LEU 4 HG LEU 4 -12.016 0.306 -1.144 18 HD11 LEU 4 HD11 LEU 4 -11.011 1.899 -2.374 19 HD12 LEU 4 HD12 LEU 4 -9.482 1.026 -2.305 20 HD13 LEU 4 HD13 LEU 4 -9.891 2.185 -1.043 21 HD21 LEU 4 HD21 LEU 4 -10.976 -1.825 -0.963 22 HD22 LEU 4 HD22 LEU 4 -9.366 -1.116 -0.840 23 HD23 LEU 4 HD23 LEU 4 -10.233 -1.075 -2.376 24 H TYR 5 H TYR 5 -13.086 0.322 2.713 25 HA TYR 5 HA TYR 5 -15.102 -0.747 1.154 26 HB2 TYR 5 HB2 TYR 5 -14.990 -1.602 3.319 27 HB3 TYR 5 HB3 TYR 5 -14.925 -0.002 4.055 28 HD1 TYR 5 HD1 TYR 5 -17.283 -1.280 1.444 29 HD2 TYR 5 HD2 TYR 5 -16.784 0.042 5.501 30 HE1 TYR 5 HE1 TYR 5 -19.740 -1.307 1.756 31 HE2 TYR 5 HE2 TYR 5 -19.244 0.014 5.812 32 HH TYR 5 HH TYR 5 -21.287 0.200 4.298 33 H GLU 6 H GLU 6 -15.026 2.398 2.801 34 HA GLU 6 HA GLU 6 -17.673 3.169 2.210 35 HB2 GLU 6 HB2 GLU 6 -16.204 4.302 3.868 36 HB3 GLU 6 HB3 GLU 6 -15.253 4.958 2.534 37 HG2 GLU 6 HG2 GLU 6 -17.320 6.032 1.639 38 HG3 GLU 6 HG3 GLU 6 -18.199 5.452 3.052 39 H LYS 7 H LYS 7 -14.652 3.515 0.399 40 HA LYS 7 HA LYS 7 -15.640 5.211 -1.633 41 HB2 LYS 7 HB2 LYS 7 -13.395 3.184 -1.685 42 HB3 LYS 7 HB3 LYS 7 -13.689 4.385 -2.942 43 HG2 LYS 7 HG2 LYS 7 -13.479 6.181 -1.220 44 HG3 LYS 7 HG3 LYS 7 -13.065 4.948 -0.029 45 HD2 LYS 7 HD2 LYS 7 -11.148 4.256 -1.479 46 HD3 LYS 7 HD3 LYS 7 -11.525 5.599 -2.559 47 HE2 LYS 7 HE2 LYS 7 -11.432 6.624 0.103 48 HE3 LYS 7 HE3 LYS 7 -9.983 5.650 -0.152 49 HZ1 LYS 7 HZ1 LYS 7 -10.937 7.950 -1.754 50 HZ2 LYS 7 HZ2 LYS 7 -9.743 6.880 -2.316 51 HZ3 LYS 7 HZ3 LYS 7 -9.471 7.799 -0.913 52 H LEU 8 H LEU 8 -15.173 1.666 -1.633 53 HA LEU 8 HA LEU 8 -16.436 1.295 -4.162 54 HB2 LEU 8 HB2 LEU 8 -15.973 -0.708 -1.940 55 HB3 LEU 8 HB3 LEU 8 -16.362 -1.091 -3.616 56 HG LEU 8 HG LEU 8 -13.880 0.358 -2.642 57 HD11 LEU 8 HD11 LEU 8 -13.082 -1.845 -4.066 58 HD12 LEU 8 HD12 LEU 8 -14.542 -2.447 -3.280 59 HD13 LEU 8 HD13 LEU 8 -13.223 -1.794 -2.308 60 HD21 LEU 8 HD21 LEU 8 -14.212 1.300 -4.744 61 HD22 LEU 8 HD22 LEU 8 -15.062 -0.117 -5.358 62 HD23 LEU 8 HD23 LEU 8 -13.307 -0.149 -5.181 63 H GLY 9 H GLY 9 -17.560 1.179 -0.822 64 HA2 GLY 9 HA2 GLY 9 -19.762 1.594 -0.110 65 HA3 GLY 9 HA3 GLY 9 -20.319 1.367 -1.765 66 H GLY 10 H GLY 10 -18.193 -1.082 -0.984 67 HA2 GLY 10 HA2 GLY 10 -20.264 -2.843 0.149 68 HA3 GLY 10 HA3 GLY 10 -19.492 -3.303 -1.366 69 H ALA 11 H ALA 11 -19.142 -3.056 2.071 70 HA ALA 11 HA ALA 11 -16.358 -3.452 2.306 71 HB1 ALA 11 HB1 ALA 11 -16.745 -3.777 4.569 72 HB2 ALA 11 HB2 ALA 11 -18.266 -4.626 4.293 73 HB3 ALA 11 HB3 ALA 11 -18.188 -2.875 4.104 74 H ALA 12 H ALA 12 -19.049 -5.709 1.929 75 HA ALA 12 HA ALA 12 -17.598 -8.086 2.428 76 HB1 ALA 12 HB1 ALA 12 -19.792 -8.166 0.433 77 HB2 ALA 12 HB2 ALA 12 -20.209 -7.549 2.032 78 HB3 ALA 12 HB3 ALA 12 -19.526 -9.167 1.861 79 H ALA 13 H ALA 13 -18.209 -6.229 -0.525 80 HA ALA 13 HA ALA 13 -17.024 -8.064 -2.329 81 HB1 ALA 13 HB1 ALA 13 -18.436 -5.761 -2.617 82 HB2 ALA 13 HB2 ALA 13 -17.503 -6.509 -3.915 83 HB3 ALA 13 HB3 ALA 13 -16.805 -5.189 -2.975 84 H VAL 14 H VAL 14 -15.728 -5.468 -0.340 85 HA VAL 14 HA VAL 14 -13.177 -5.278 -1.529 86 HB VAL 14 HB VAL 14 -14.059 -4.755 1.318 87 HG11 VAL 14 HG11 VAL 14 -11.974 -3.249 1.242 88 HG12 VAL 14 HG12 VAL 14 -11.485 -4.197 -0.161 89 HG13 VAL 14 HG13 VAL 14 -11.696 -4.983 1.404 90 HG21 VAL 14 HG21 VAL 14 -14.436 -3.380 -1.195 91 HG22 VAL 14 HG22 VAL 14 -13.452 -2.393 -0.114 92 HG23 VAL 14 HG23 VAL 14 -15.045 -2.946 0.403 93 H ASP 15 H ASP 15 -14.373 -7.261 1.171 94 HA ASP 15 HA ASP 15 -11.907 -8.438 1.855 95 HB2 ASP 15 HB2 ASP 15 -14.736 -9.459 2.156 96 HB3 ASP 15 HB3 ASP 15 -13.325 -10.232 2.878 97 H LEU 16 H LEU 16 -14.424 -9.437 -0.441 98 HA LEU 16 HA LEU 16 -13.265 -11.924 -1.133 99 HB2 LEU 16 HB2 LEU 16 -15.309 -10.116 -2.331 100 HB3 LEU 16 HB3 LEU 16 -14.602 -11.352 -3.371 101 HG LEU 16 HG LEU 16 -16.702 -12.056 -2.122 102 HD11 LEU 16 HD11 LEU 16 -14.957 -14.035 -1.055 103 HD12 LEU 16 HD12 LEU 16 -14.227 -13.441 -2.545 104 HD13 LEU 16 HD13 LEU 16 -15.865 -14.093 -2.565 105 HD21 LEU 16 HD21 LEU 16 -14.963 -12.437 0.289 106 HD22 LEU 16 HD22 LEU 16 -16.715 -12.285 0.187 107 HD23 LEU 16 HD23 LEU 16 -15.698 -10.857 0.024 108 H ALA 17 H ALA 17 -12.871 -8.662 -2.452 109 HA ALA 17 HA ALA 17 -11.281 -9.387 -4.679 110 HB1 ALA 17 HB1 ALA 17 -12.320 -7.016 -3.606 111 HB2 ALA 17 HB2 ALA 17 -11.396 -7.186 -5.099 112 HB3 ALA 17 HB3 ALA 17 -10.569 -6.801 -3.589 113 H VAL 18 H VAL 18 -10.515 -8.647 -1.322 114 HA VAL 18 HA VAL 18 -7.707 -8.484 -1.597 115 HB VAL 18 HB VAL 18 -9.440 -9.235 0.764 116 HG11 VAL 18 HG11 VAL 18 -7.057 -8.274 1.755 117 HG12 VAL 18 HG12 VAL 18 -6.521 -9.240 0.381 118 HG13 VAL 18 HG13 VAL 18 -7.490 -9.981 1.656 119 HG21 VAL 18 HG21 VAL 18 -9.223 -6.836 -0.514 120 HG22 VAL 18 HG22 VAL 18 -7.898 -6.707 0.643 121 HG23 VAL 18 HG23 VAL 18 -9.542 -6.996 1.213 122 H GLU 19 H GLU 19 -9.888 -11.207 -0.985 123 HA GLU 19 HA GLU 19 -7.926 -13.141 -0.403 124 HB2 GLU 19 HB2 GLU 19 -10.663 -13.437 -1.659 125 HB3 GLU 19 HB3 GLU 19 -9.677 -14.787 -1.098 126 HG2 GLU 19 HG2 GLU 19 -10.594 -12.474 0.634 127 HG3 GLU 19 HG3 GLU 19 -11.339 -14.071 0.607 128 H LYS 20 H LYS 20 -9.303 -12.059 -3.488 129 HA LYS 20 HA LYS 20 -8.093 -14.027 -5.119 130 HB2 LYS 20 HB2 LYS 20 -8.791 -11.172 -5.851 131 HB3 LYS 20 HB3 LYS 20 -8.544 -12.508 -6.974 132 HG2 LYS 20 HG2 LYS 20 -10.682 -12.463 -4.826 133 HG3 LYS 20 HG3 LYS 20 -10.963 -12.034 -6.512 134 HD2 LYS 20 HD2 LYS 20 -9.972 -14.353 -7.072 135 HD3 LYS 20 HD3 LYS 20 -10.216 -14.725 -5.365 136 HE2 LYS 20 HE2 LYS 20 -12.313 -15.318 -5.977 137 HE3 LYS 20 HE3 LYS 20 -12.624 -13.584 -6.059 138 HZ1 LYS 20 HZ1 LYS 20 -13.156 -14.041 -8.172 139 HZ2 LYS 20 HZ2 LYS 20 -12.297 -15.507 -8.195 140 HZ3 LYS 20 HZ3 LYS 20 -11.481 -14.036 -8.433 141 H PHE 21 H PHE 21 -7.033 -10.780 -4.149 142 HA PHE 21 HA PHE 21 -4.597 -10.839 -5.618 143 HB2 PHE 21 HB2 PHE 21 -5.670 -8.753 -4.826 144 HB3 PHE 21 HB3 PHE 21 -5.291 -9.210 -3.165 145 HD1 PHE 21 HD1 PHE 21 -3.569 -8.913 -6.492 146 HD2 PHE 21 HD2 PHE 21 -3.325 -8.379 -2.237 147 HE1 PHE 21 HE1 PHE 21 -1.295 -7.955 -6.742 148 HE2 PHE 21 HE2 PHE 21 -1.052 -7.418 -2.492 149 HZ PHE 21 HZ PHE 21 -0.038 -7.207 -4.742 150 H TYR 22 H TYR 22 -5.420 -11.592 -2.247 151 HA TYR 22 HA TYR 22 -2.829 -12.045 -1.287 152 HB2 TYR 22 HB2 TYR 22 -4.792 -11.912 0.181 153 HB3 TYR 22 HB3 TYR 22 -5.397 -13.430 -0.484 154 HD1 TYR 22 HD1 TYR 22 -2.617 -11.890 1.448 155 HD2 TYR 22 HD2 TYR 22 -4.527 -15.539 0.226 156 HE1 TYR 22 HE1 TYR 22 -1.224 -13.161 3.061 157 HE2 TYR 22 HE2 TYR 22 -3.134 -16.809 1.838 158 HH TYR 22 HH TYR 22 -1.578 -16.696 3.407 159 H GLY 23 H GLY 23 -5.102 -14.266 -2.877 160 HA2 GLY 23 HA2 GLY 23 -3.615 -16.625 -2.608 161 HA3 GLY 23 HA3 GLY 23 -4.762 -16.299 -3.903 162 H LYS 24 H LYS 24 -3.551 -14.142 -5.148 163 HA LYS 24 HA LYS 24 -1.634 -15.421 -6.796 164 HB2 LYS 24 HB2 LYS 24 -3.170 -13.492 -7.422 165 HB3 LYS 24 HB3 LYS 24 -2.047 -12.439 -6.563 166 HG2 LYS 24 HG2 LYS 24 -1.130 -12.327 -8.686 167 HG3 LYS 24 HG3 LYS 24 -0.253 -13.720 -8.054 168 HD2 LYS 24 HD2 LYS 24 -1.109 -14.311 -10.241 169 HD3 LYS 24 HD3 LYS 24 -2.035 -15.203 -9.034 170 HE2 LYS 24 HE2 LYS 24 -3.177 -12.567 -9.630 171 HE3 LYS 24 HE3 LYS 24 -3.117 -13.628 -11.037 172 HZ1 LYS 24 HZ1 LYS 24 -4.089 -15.374 -9.487 173 HZ2 LYS 24 HZ2 LYS 24 -5.125 -14.132 -10.007 174 HZ3 LYS 24 HZ3 LYS 24 -4.460 -14.088 -8.446 175 H VAL 25 H VAL 25 -1.365 -13.106 -4.138 176 HA VAL 25 HA VAL 25 1.396 -12.571 -4.373 177 HB VAL 25 HB VAL 25 -0.457 -12.486 -1.985 178 HG11 VAL 25 HG11 VAL 25 2.452 -12.099 -2.236 179 HG12 VAL 25 HG12 VAL 25 1.474 -12.373 -0.795 180 HG13 VAL 25 HG13 VAL 25 1.611 -10.750 -1.472 181 HG21 VAL 25 HG21 VAL 25 0.654 -10.021 -3.152 182 HG22 VAL 25 HG22 VAL 25 -1.004 -10.393 -2.680 183 HG23 VAL 25 HG23 VAL 25 -0.395 -10.920 -4.249 184 H LEU 26 H LEU 26 -0.370 -14.985 -2.441 185 HA LEU 26 HA LEU 26 1.979 -16.061 -1.228 186 HB2 LEU 26 HB2 LEU 26 0.550 -17.394 -0.057 187 HB3 LEU 26 HB3 LEU 26 -0.647 -16.253 -0.658 188 HG LEU 26 HG LEU 26 -0.844 -17.832 -2.706 189 HD11 LEU 26 HD11 LEU 26 -0.281 -20.191 -1.167 190 HD12 LEU 26 HD12 LEU 26 1.176 -19.200 -1.228 191 HD13 LEU 26 HD13 LEU 26 0.396 -19.713 -2.722 192 HD21 LEU 26 HD21 LEU 26 -2.516 -17.535 -0.829 193 HD22 LEU 26 HD22 LEU 26 -1.756 -18.906 -0.023 194 HD23 LEU 26 HD23 LEU 26 -2.545 -19.127 -1.585 195 H ALA 27 H ALA 27 0.252 -16.686 -4.198 196 HA ALA 27 HA ALA 27 1.247 -19.232 -4.818 197 HB1 ALA 27 HB1 ALA 27 0.781 -17.062 -6.862 198 HB2 ALA 27 HB2 ALA 27 -0.549 -17.881 -6.042 199 HB3 ALA 27 HB3 ALA 27 0.569 -18.803 -7.048 200 H ASP 28 H ASP 28 2.678 -16.029 -5.196 201 HA ASP 28 HA ASP 28 5.000 -17.103 -6.594 202 HB2 ASP 28 HB2 ASP 28 4.060 -14.869 -7.168 203 HB3 ASP 28 HB3 ASP 28 4.504 -14.303 -5.557 204 H GLU 29 H GLU 29 6.505 -18.131 -5.447 205 HA GLU 29 HA GLU 29 6.823 -17.764 -2.618 206 HB2 GLU 29 HB2 GLU 29 8.491 -19.462 -2.753 207 HB3 GLU 29 HB3 GLU 29 7.223 -19.918 -3.891 208 HG2 GLU 29 HG2 GLU 29 8.562 -18.800 -5.711 209 HG3 GLU 29 HG3 GLU 29 9.868 -18.591 -4.545 210 H ARG 30 H ARG 30 8.178 -16.299 -5.427 211 HA ARG 30 HA ARG 30 10.706 -15.532 -4.527 212 HB2 ARG 30 HB2 ARG 30 8.781 -14.070 -6.344 213 HB3 ARG 30 HB3 ARG 30 10.481 -13.645 -6.140 214 HG2 ARG 30 HG2 ARG 30 11.103 -15.956 -6.851 215 HG3 ARG 30 HG3 ARG 30 9.398 -16.286 -7.162 216 HD2 ARG 30 HD2 ARG 30 11.078 -14.149 -8.502 217 HD3 ARG 30 HD3 ARG 30 10.509 -15.641 -9.244 218 HE ARG 30 HE ARG 30 8.201 -14.477 -8.432 219 HH11 ARG 30 HH11 ARG 30 10.970 -13.351 -10.174 220 HH12 ARG 30 HH12 ARG 30 10.085 -12.190 -11.105 221 HH21 ARG 30 HH21 ARG 30 7.032 -12.957 -9.649 222 HH22 ARG 30 HH22 ARG 30 7.854 -11.967 -10.807 223 H VAL 31 H VAL 31 7.552 -13.969 -4.019 224 HA VAL 31 HA VAL 31 8.750 -11.781 -2.542 225 HB VAL 31 HB VAL 31 6.500 -10.962 -2.272 226 HG11 VAL 31 HG11 VAL 31 6.141 -12.097 -4.969 227 HG12 VAL 31 HG12 VAL 31 7.722 -11.366 -4.696 228 HG13 VAL 31 HG13 VAL 31 6.259 -10.412 -4.464 229 HG21 VAL 31 HG21 VAL 31 4.797 -12.724 -3.531 230 HG22 VAL 31 HG22 VAL 31 4.965 -12.565 -1.782 231 HG23 VAL 31 HG23 VAL 31 5.863 -13.812 -2.646 232 H ASN 32 H ASN 32 7.273 -14.861 -1.854 233 HA ASN 32 HA ASN 32 6.567 -14.525 0.827 234 HB2 ASN 32 HB2 ASN 32 7.611 -16.968 -0.617 235 HB3 ASN 32 HB3 ASN 32 6.916 -16.996 1.003 236 HD21 ASN 32 HD21 ASN 32 5.645 -18.459 -1.051 237 HD22 ASN 32 HD22 ASN 32 4.176 -17.705 -1.445 238 H ARG 33 H ARG 33 9.705 -14.966 -0.657 239 HA ARG 33 HA ARG 33 11.227 -15.836 1.493 240 HB2 ARG 33 HB2 ARG 33 11.963 -13.850 -0.668 241 HB3 ARG 33 HB3 ARG 33 13.119 -14.636 0.409 242 HG2 ARG 33 HG2 ARG 33 12.348 -16.849 -0.408 243 HG3 ARG 33 HG3 ARG 33 11.246 -16.039 -1.521 244 HD2 ARG 33 HD2 ARG 33 13.235 -16.590 -2.761 245 HD3 ARG 33 HD3 ARG 33 13.243 -14.849 -2.500 246 HE ARG 33 HE ARG 33 14.678 -16.393 -0.497 247 HH11 ARG 33 HH11 ARG 33 14.757 -14.683 -3.505 248 HH12 ARG 33 HH12 ARG 33 16.460 -14.374 -3.443 249 HH21 ARG 33 HH21 ARG 33 16.914 -15.991 -0.411 250 HH22 ARG 33 HH22 ARG 33 17.681 -15.115 -1.692 251 H PHE 34 H PHE 34 10.105 -12.573 0.719 252 HA PHE 34 HA PHE 34 11.534 -11.285 2.835 253 HB2 PHE 34 HB2 PHE 34 9.161 -10.420 1.175 254 HB3 PHE 34 HB3 PHE 34 9.971 -9.382 2.348 255 HD1 PHE 34 HD1 PHE 34 12.368 -8.763 2.032 256 HD2 PHE 34 HD2 PHE 34 10.157 -10.915 -0.955 257 HE1 PHE 34 HE1 PHE 34 14.100 -8.204 0.347 258 HE2 PHE 34 HE2 PHE 34 11.889 -10.356 -2.640 259 HZ PHE 34 HZ PHE 34 13.860 -9.000 -1.989 260 H PHE 35 H PHE 35 8.403 -12.834 2.560 261 HA PHE 35 HA PHE 35 7.499 -11.807 5.129 262 HB2 PHE 35 HB2 PHE 35 6.265 -13.745 3.163 263 HB3 PHE 35 HB3 PHE 35 5.502 -13.253 4.676 264 HD1 PHE 35 HD1 PHE 35 4.933 -10.842 5.062 265 HD2 PHE 35 HD2 PHE 35 6.306 -12.293 1.260 266 HE1 PHE 35 HE1 PHE 35 4.091 -8.779 3.971 267 HE2 PHE 35 HE2 PHE 35 5.465 -10.230 0.168 268 HZ PHE 35 HZ PHE 35 4.358 -8.474 1.525 269 H VAL 36 H VAL 36 9.769 -13.965 4.465 270 HA VAL 36 HA VAL 36 9.062 -16.355 5.739 271 HB VAL 36 HB VAL 36 11.723 -14.936 5.530 272 HG11 VAL 36 HG11 VAL 36 10.940 -17.546 6.800 273 HG12 VAL 36 HG12 VAL 36 12.101 -16.342 7.359 274 HG13 VAL 36 HG13 VAL 36 12.509 -17.400 6.008 275 HG21 VAL 36 HG21 VAL 36 12.035 -16.159 3.601 276 HG22 VAL 36 HG22 VAL 36 10.276 -16.036 3.557 277 HG23 VAL 36 HG23 VAL 36 11.041 -17.502 4.168 278 H ASN 37 H ASN 37 10.308 -13.318 7.067 279 HA ASN 37 HA ASN 37 10.266 -14.372 9.784 280 HB2 ASN 37 HB2 ASN 37 10.899 -11.613 8.711 281 HB3 ASN 37 HB3 ASN 37 11.057 -12.103 10.397 282 HD21 ASN 37 HD21 ASN 37 13.327 -11.226 8.877 283 HD22 ASN 37 HD22 ASN 37 14.367 -12.552 8.667 284 H THR 38 H THR 38 7.908 -13.496 7.772 285 HA THR 38 HA THR 38 6.312 -12.200 9.902 286 HB THR 38 HB THR 38 5.965 -11.889 6.911 287 HG1 THR 38 HG1 THR 38 7.143 -10.145 7.085 288 HG21 THR 38 HG21 THR 38 4.669 -10.481 9.262 289 HG22 THR 38 HG22 THR 38 3.887 -11.676 8.227 290 HG23 THR 38 HG23 THR 38 4.382 -10.121 7.559 291 H ASP 39 H ASP 39 4.324 -13.046 10.355 292 HA ASP 39 HA ASP 39 3.801 -15.729 9.415 293 HB2 ASP 39 HB2 ASP 39 1.966 -15.707 11.017 294 HB3 ASP 39 HB3 ASP 39 3.427 -15.071 11.772 295 H MET 40 H MET 40 1.633 -16.372 8.654 296 HA MET 40 HA MET 40 0.897 -14.999 6.311 297 HB2 MET 40 HB2 MET 40 -0.559 -17.100 7.927 298 HB3 MET 40 HB3 MET 40 -1.105 -16.526 6.352 299 HG2 MET 40 HG2 MET 40 0.164 -18.368 5.720 300 HG3 MET 40 HG3 MET 40 1.381 -17.097 5.633 301 HE1 MET 40 HE1 MET 40 3.865 -19.430 7.026 302 HE2 MET 40 HE2 MET 40 3.699 -17.787 6.410 303 HE3 MET 40 HE3 MET 40 2.919 -19.121 5.563 304 H ALA 41 H ALA 41 -0.368 -14.859 9.597 305 HA ALA 41 HA ALA 41 -2.779 -13.523 9.089 306 HB1 ALA 41 HB1 ALA 41 -2.934 -13.641 11.321 307 HB2 ALA 41 HB2 ALA 41 -1.562 -12.548 11.510 308 HB3 ALA 41 HB3 ALA 41 -1.292 -14.285 11.359 309 H LYS 42 H LYS 42 0.338 -12.093 10.097 310 HA LYS 42 HA LYS 42 -0.459 -9.414 9.707 311 HB2 LYS 42 HB2 LYS 42 2.291 -10.675 9.691 312 HB3 LYS 42 HB3 LYS 42 1.995 -8.936 9.693 313 HG2 LYS 42 HG2 LYS 42 0.673 -9.208 11.797 314 HG3 LYS 42 HG3 LYS 42 1.121 -10.914 11.817 315 HD2 LYS 42 HD2 LYS 42 3.519 -10.259 11.850 316 HD3 LYS 42 HD3 LYS 42 3.035 -8.564 11.918 317 HE2 LYS 42 HE2 LYS 42 1.644 -10.120 13.936 318 HE3 LYS 42 HE3 LYS 42 3.391 -10.290 14.102 319 HZ1 LYS 42 HZ1 LYS 42 2.883 -7.617 13.555 320 HZ2 LYS 42 HZ2 LYS 42 3.429 -8.290 15.016 321 HZ3 LYS 42 HZ3 LYS 42 1.765 -8.078 14.744 322 H GLN 43 H GLN 43 0.929 -11.816 7.550 323 HA GLN 43 HA GLN 43 1.742 -10.195 5.437 324 HB2 GLN 43 HB2 GLN 43 2.128 -12.657 5.617 325 HB3 GLN 43 HB3 GLN 43 0.433 -12.912 5.198 326 HG2 GLN 43 HG2 GLN 43 0.792 -11.659 3.085 327 HG3 GLN 43 HG3 GLN 43 2.500 -11.499 3.491 328 HE21 GLN 43 HE21 GLN 43 1.761 -14.440 4.740 329 HE22 GLN 43 HE22 GLN 43 2.090 -15.427 3.400 330 H LYS 44 H LYS 44 -1.480 -11.523 6.146 331 HA LYS 44 HA LYS 44 -2.752 -10.609 3.800 332 HB2 LYS 44 HB2 LYS 44 -3.856 -11.134 6.567 333 HB3 LYS 44 HB3 LYS 44 -4.852 -10.796 5.152 334 HG2 LYS 44 HG2 LYS 44 -3.728 -12.736 3.996 335 HG3 LYS 44 HG3 LYS 44 -2.954 -13.127 5.530 336 HD2 LYS 44 HD2 LYS 44 -5.852 -12.722 5.777 337 HD3 LYS 44 HD3 LYS 44 -5.424 -14.059 4.711 338 HE2 LYS 44 HE2 LYS 44 -4.476 -13.664 7.562 339 HE3 LYS 44 HE3 LYS 44 -5.619 -14.882 6.999 340 HZ1 LYS 44 HZ1 LYS 44 -2.742 -14.834 6.816 341 HZ2 LYS 44 HZ2 LYS 44 -3.517 -15.273 5.369 342 HZ3 LYS 44 HZ3 LYS 44 -3.808 -16.152 6.793 343 H GLN 45 H GLN 45 -2.147 -9.058 6.915 344 HA GLN 45 HA GLN 45 -3.775 -6.795 6.584 345 HB2 GLN 45 HB2 GLN 45 -2.613 -7.496 8.699 346 HB3 GLN 45 HB3 GLN 45 -1.110 -6.883 8.009 347 HG2 GLN 45 HG2 GLN 45 -1.985 -5.095 9.322 348 HG3 GLN 45 HG3 GLN 45 -2.340 -4.673 7.648 349 HE21 GLN 45 HE21 GLN 45 -4.464 -4.015 7.318 350 HE22 GLN 45 HE22 GLN 45 -5.789 -4.489 8.269 351 H HIS 46 H HIS 46 -0.401 -7.372 5.628 352 HA HIS 46 HA HIS 46 0.112 -4.764 4.662 353 HB2 HIS 46 HB2 HIS 46 1.887 -6.420 5.147 354 HB3 HIS 46 HB3 HIS 46 1.358 -7.369 3.758 355 HD1 HIS 46 HD1 HIS 46 2.192 -6.653 1.483 356 HD2 HIS 46 HD2 HIS 46 2.904 -3.760 4.398 357 HE1 HIS 46 HE1 HIS 46 3.625 -4.874 0.390 358 H GLN 47 H GLN 47 -1.107 -7.691 3.069 359 HA GLN 47 HA GLN 47 -1.124 -6.733 0.433 360 HB2 GLN 47 HB2 GLN 47 -2.553 -8.883 1.919 361 HB3 GLN 47 HB3 GLN 47 -3.220 -8.397 0.363 362 HG2 GLN 47 HG2 GLN 47 -1.671 -10.198 -0.043 363 HG3 GLN 47 HG3 GLN 47 -0.926 -8.721 -0.634 364 HE21 GLN 47 HE21 GLN 47 0.401 -11.237 0.329 365 HE22 GLN 47 HE22 GLN 47 1.419 -10.751 1.596 366 H LYS 48 H LYS 48 -3.481 -6.378 3.046 367 HA LYS 48 HA LYS 48 -5.591 -5.291 1.533 368 HB2 LYS 48 HB2 LYS 48 -5.791 -6.055 3.891 369 HB3 LYS 48 HB3 LYS 48 -4.852 -4.651 4.398 370 HG2 LYS 48 HG2 LYS 48 -6.557 -3.166 3.362 371 HG3 LYS 48 HG3 LYS 48 -7.513 -4.588 2.945 372 HD2 LYS 48 HD2 LYS 48 -7.599 -5.194 5.365 373 HD3 LYS 48 HD3 LYS 48 -6.751 -3.694 5.740 374 HE2 LYS 48 HE2 LYS 48 -8.563 -2.371 4.818 375 HE3 LYS 48 HE3 LYS 48 -9.384 -3.822 4.244 376 HZ1 LYS 48 HZ1 LYS 48 -10.461 -3.496 6.205 377 HZ2 LYS 48 HZ2 LYS 48 -9.120 -2.785 6.969 378 HZ3 LYS 48 HZ3 LYS 48 -9.188 -4.469 6.760 379 H ASP 49 H ASP 49 -2.912 -3.707 3.257 380 HA ASP 49 HA ASP 49 -3.659 -1.055 2.575 381 HB2 ASP 49 HB2 ASP 49 -0.985 -2.233 3.361 382 HB3 ASP 49 HB3 ASP 49 -1.301 -0.506 3.202 383 H PHE 50 H PHE 50 -1.548 -3.442 1.050 384 HA PHE 50 HA PHE 50 -0.375 -1.785 -0.890 385 HB2 PHE 50 HB2 PHE 50 0.357 -4.102 -0.338 386 HB3 PHE 50 HB3 PHE 50 -1.075 -4.717 -1.164 387 HD1 PHE 50 HD1 PHE 50 2.130 -2.920 -1.602 388 HD2 PHE 50 HD2 PHE 50 -1.252 -4.688 -3.573 389 HE1 PHE 50 HE1 PHE 50 3.317 -2.769 -3.774 390 HE2 PHE 50 HE2 PHE 50 -0.065 -4.537 -5.745 391 HZ PHE 50 HZ PHE 50 2.220 -3.577 -5.846 392 H MET 51 H MET 51 -3.273 -3.857 -1.121 393 HA MET 51 HA MET 51 -3.929 -3.117 -3.774 394 HB2 MET 51 HB2 MET 51 -4.819 -5.132 -2.619 395 HB3 MET 51 HB3 MET 51 -5.798 -4.079 -1.597 396 HG2 MET 51 HG2 MET 51 -6.865 -3.141 -3.650 397 HG3 MET 51 HG3 MET 51 -5.952 -4.299 -4.616 398 HE1 MET 51 HE1 MET 51 -9.101 -5.978 -5.158 399 HE2 MET 51 HE2 MET 51 -8.087 -4.593 -5.559 400 HE3 MET 51 HE3 MET 51 -9.491 -4.375 -4.517 401 H THR 52 H THR 52 -4.845 -1.801 -0.624 402 HA THR 52 HA THR 52 -6.865 -0.049 -1.467 403 HB THR 52 HB THR 52 -4.884 0.383 0.781 404 HG1 THR 52 HG1 THR 52 -6.754 -0.575 1.943 405 HG21 THR 52 HG21 THR 52 -7.178 1.432 1.663 406 HG22 THR 52 HG22 THR 52 -7.444 1.659 -0.066 407 HG23 THR 52 HG23 THR 52 -6.033 2.376 0.712 408 H TYR 53 H TYR 53 -3.352 0.425 -1.239 409 HA TYR 53 HA TYR 53 -3.304 3.152 -1.935 410 HB2 TYR 53 HB2 TYR 53 -1.369 1.900 -1.001 411 HB3 TYR 53 HB3 TYR 53 -1.205 1.056 -2.540 412 HD1 TYR 53 HD1 TYR 53 -0.999 4.355 -0.867 413 HD2 TYR 53 HD2 TYR 53 -0.286 2.149 -4.483 414 HE1 TYR 53 HE1 TYR 53 0.314 6.255 -1.768 415 HE2 TYR 53 HE2 TYR 53 1.027 4.050 -5.384 416 HH TYR 53 HH TYR 53 2.160 6.561 -3.490 417 H ALA 54 H ALA 54 -3.252 0.221 -3.921 418 HA ALA 54 HA ALA 54 -2.765 1.446 -6.409 419 HB1 ALA 54 HB1 ALA 54 -4.430 -0.750 -6.907 420 HB2 ALA 54 HB2 ALA 54 -3.552 -1.166 -5.434 421 HB3 ALA 54 HB3 ALA 54 -2.666 -0.742 -6.898 422 H PHE 55 H PHE 55 -5.730 0.917 -4.584 423 HA PHE 55 HA PHE 55 -7.462 1.794 -6.710 424 HB2 PHE 55 HB2 PHE 55 -7.798 1.008 -3.851 425 HB3 PHE 55 HB3 PHE 55 -9.073 1.961 -4.611 426 HD1 PHE 55 HD1 PHE 55 -6.821 -0.600 -6.150 427 HD2 PHE 55 HD2 PHE 55 -10.825 0.418 -4.969 428 HE1 PHE 55 HE1 PHE 55 -7.672 -2.630 -7.289 429 HE2 PHE 55 HE2 PHE 55 -11.675 -1.615 -6.109 430 HZ PHE 55 HZ PHE 55 -10.099 -3.137 -7.269 431 H GLY 56 H GLY 56 -5.330 3.413 -4.760 432 HA2 GLY 56 HA2 GLY 56 -4.986 5.753 -4.850 433 HA3 GLY 56 HA3 GLY 56 -6.681 5.964 -5.279 434 H GLY 57 H GLY 57 -6.399 3.758 -2.776 435 HA2 GLY 57 HA2 GLY 57 -7.591 5.561 -0.880 436 HA3 GLY 57 HA3 GLY 57 -7.190 3.870 -0.604 437 H THR 58 H THR 58 -5.585 7.029 -1.058 438 HA THR 58 HA THR 58 -3.161 6.248 0.208 439 HB THR 58 HB THR 58 -2.612 8.617 0.194 440 HG1 THR 58 HG1 THR 58 -5.368 8.806 0.105 441 HG21 THR 58 HG21 THR 58 -2.421 8.707 -2.069 442 HG22 THR 58 HG22 THR 58 -4.157 8.514 -2.318 443 HG23 THR 58 HG23 THR 58 -3.147 7.101 -2.016 444 H ASP 59 H ASP 59 -6.232 7.358 1.361 445 HA ASP 59 HA ASP 59 -6.862 8.206 3.466 446 HB2 ASP 59 HB2 ASP 59 -6.989 6.333 4.998 447 HB3 ASP 59 HB3 ASP 59 -7.302 5.768 3.360 448 H ARG 60 H ARG 60 -4.296 9.257 2.906 449 HA ARG 60 HA ARG 60 -2.466 10.191 3.943 450 HB2 ARG 60 HB2 ARG 60 -4.097 9.776 6.459 451 HB3 ARG 60 HB3 ARG 60 -2.811 10.956 6.211 452 HG2 ARG 60 HG2 ARG 60 -5.329 10.903 4.534 453 HG3 ARG 60 HG3 ARG 60 -5.182 11.862 6.006 454 HD2 ARG 60 HD2 ARG 60 -3.102 12.904 4.984 455 HD3 ARG 60 HD3 ARG 60 -3.542 12.110 3.475 456 HE ARG 60 HE ARG 60 -4.868 14.397 4.675 457 HH11 ARG 60 HH11 ARG 60 -5.029 11.732 2.474 458 HH12 ARG 60 HH12 ARG 60 -6.275 12.436 1.498 459 HH21 ARG 60 HH21 ARG 60 -6.505 15.324 3.401 460 HH22 ARG 60 HH22 ARG 60 -7.112 14.468 2.023 461 H PHE 61 H PHE 61 -0.621 9.098 4.045 462 HA PHE 61 HA PHE 61 -0.394 6.915 6.027 463 HB2 PHE 61 HB2 PHE 61 0.447 6.993 3.147 464 HB3 PHE 61 HB3 PHE 61 1.348 6.007 4.298 465 HD1 PHE 61 HD1 PHE 61 -0.225 4.578 5.949 466 HD2 PHE 61 HD2 PHE 61 -1.344 5.993 2.051 467 HE1 PHE 61 HE1 PHE 61 -1.971 2.822 5.811 468 HE2 PHE 61 HE2 PHE 61 -3.089 4.237 1.913 469 HZ PHE 61 HZ PHE 61 -3.404 2.652 3.794 470 HA PRO 62 HA PRO 62 2.968 10.042 6.628 471 HB2 PRO 62 HB2 PRO 62 2.425 10.671 9.215 472 HB3 PRO 62 HB3 PRO 62 1.609 11.456 7.849 473 HG2 PRO 62 HG2 PRO 62 0.617 9.357 9.692 474 HG3 PRO 62 HG3 PRO 62 -0.257 10.674 8.897 475 HD2 PRO 62 HD2 PRO 62 -0.247 8.002 8.054 476 HD3 PRO 62 HD3 PRO 62 -0.743 9.394 7.070 477 H GLY 63 H GLY 63 1.985 8.272 9.568 478 HA2 GLY 63 HA2 GLY 63 3.164 6.889 10.981 479 HA3 GLY 63 HA3 GLY 63 3.849 6.210 9.507 480 H ARG 64 H ARG 64 5.978 6.065 9.819 481 HA ARG 64 HA ARG 64 7.410 8.470 10.777 482 HB2 ARG 64 HB2 ARG 64 9.055 7.012 11.830 483 HB3 ARG 64 HB3 ARG 64 7.447 6.634 12.450 484 HG2 ARG 64 HG2 ARG 64 7.310 4.808 10.697 485 HG3 ARG 64 HG3 ARG 64 9.017 5.101 10.363 486 HD2 ARG 64 HD2 ARG 64 9.530 4.670 12.759 487 HD3 ARG 64 HD3 ARG 64 7.832 4.291 13.033 488 HE ARG 64 HE ARG 64 9.776 2.639 11.603 489 HH11 ARG 64 HH11 ARG 64 6.490 3.297 12.476 490 HH12 ARG 64 HH12 ARG 64 5.936 1.692 12.142 491 HH21 ARG 64 HH21 ARG 64 9.054 0.531 11.165 492 HH22 ARG 64 HH22 ARG 64 7.386 0.126 11.400 493 H SER 65 H SER 65 6.696 7.556 8.056 494 HA SER 65 HA SER 65 7.825 7.967 6.045 495 HB2 SER 65 HB2 SER 65 10.123 8.245 5.918 496 HB3 SER 65 HB3 SER 65 9.816 8.699 7.592 497 HG SER 65 HG SER 65 11.528 7.196 7.417 498 H MET 66 H MET 66 7.375 6.454 4.612 499 HA MET 66 HA MET 66 7.189 3.719 5.165 500 HB2 MET 66 HB2 MET 66 7.503 5.142 2.514 501 HB3 MET 66 HB3 MET 66 7.046 3.448 2.692 502 HG2 MET 66 HG2 MET 66 5.525 5.776 3.901 503 HG3 MET 66 HG3 MET 66 5.069 4.945 2.413 504 HE1 MET 66 HE1 MET 66 3.502 5.507 5.066 505 HE2 MET 66 HE2 MET 66 4.738 5.040 6.230 506 HE3 MET 66 HE3 MET 66 3.230 4.131 6.143 507 H ARG 67 H ARG 67 9.863 5.630 3.895 508 HA ARG 67 HA ARG 67 11.502 3.573 2.940 509 HB2 ARG 67 HB2 ARG 67 12.278 6.174 4.282 510 HB3 ARG 67 HB3 ARG 67 13.379 5.140 3.371 511 HG2 ARG 67 HG2 ARG 67 11.907 5.381 1.377 512 HG3 ARG 67 HG3 ARG 67 10.890 6.495 2.293 513 HD2 ARG 67 HD2 ARG 67 12.954 7.906 2.680 514 HD3 ARG 67 HD3 ARG 67 13.797 6.867 1.535 515 HE ARG 67 HE ARG 67 12.544 7.824 -0.206 516 HH11 ARG 67 HH11 ARG 67 11.462 8.832 2.922 517 HH12 ARG 67 HH12 ARG 67 10.473 10.120 2.318 518 HH21 ARG 67 HH21 ARG 67 11.252 9.513 -1.006 519 HH22 ARG 67 HH22 ARG 67 10.355 10.505 0.094 520 H ALA 68 H ALA 68 11.110 4.864 6.217 521 HA ALA 68 HA ALA 68 13.191 3.320 7.394 522 HB1 ALA 68 HB1 ALA 68 10.820 4.820 8.473 523 HB2 ALA 68 HB2 ALA 68 12.537 5.183 8.655 524 HB3 ALA 68 HB3 ALA 68 11.823 3.831 9.534 525 H ALA 69 H ALA 69 9.727 2.805 6.934 526 HA ALA 69 HA ALA 69 9.484 0.481 8.524 527 HB1 ALA 69 HB1 ALA 69 7.332 0.713 7.952 528 HB2 ALA 69 HB2 ALA 69 7.708 0.416 6.255 529 HB3 ALA 69 HB3 ALA 69 7.799 2.054 6.905 530 H HIS 70 H HIS 70 10.389 0.965 5.144 531 HA HIS 70 HA HIS 70 10.578 -1.925 4.727 532 HB2 HIS 70 HB2 HIS 70 10.994 0.408 2.846 533 HB3 HIS 70 HB3 HIS 70 11.114 -1.289 2.382 534 HD1 HIS 70 HD1 HIS 70 8.644 1.371 3.265 535 HD2 HIS 70 HD2 HIS 70 8.609 -2.706 2.392 536 HE1 HIS 70 HE1 HIS 70 6.222 0.743 2.875 537 H GLN 71 H GLN 71 12.545 0.572 5.829 538 HA GLN 71 HA GLN 71 15.034 0.028 4.664 539 HB2 GLN 71 HB2 GLN 71 14.547 1.969 6.152 540 HB3 GLN 71 HB3 GLN 71 14.529 0.867 7.528 541 HG2 GLN 71 HG2 GLN 71 16.850 0.195 7.022 542 HG3 GLN 71 HG3 GLN 71 16.869 1.299 5.648 543 HE21 GLN 71 HE21 GLN 71 18.801 1.810 7.513 544 HE22 GLN 71 HE22 GLN 71 18.396 3.158 8.462 545 H ASP 72 H ASP 72 13.365 -1.512 7.371 546 HA ASP 72 HA ASP 72 15.451 -3.094 8.349 547 HB2 ASP 72 HB2 ASP 72 12.479 -3.638 8.224 548 HB3 ASP 72 HB3 ASP 72 13.623 -4.620 9.137 549 H LEU 73 H LEU 73 13.207 -3.661 5.667 550 HA LEU 73 HA LEU 73 13.945 -6.333 5.129 551 HB2 LEU 73 HB2 LEU 73 12.976 -4.223 3.182 552 HB3 LEU 73 HB3 LEU 73 12.941 -5.968 2.928 553 HG LEU 73 HG LEU 73 11.459 -4.458 5.103 554 HD11 LEU 73 HD11 LEU 73 10.072 -6.129 3.074 555 HD12 LEU 73 HD12 LEU 73 10.763 -4.615 2.492 556 HD13 LEU 73 HD13 LEU 73 9.580 -4.599 3.799 557 HD21 LEU 73 HD21 LEU 73 10.378 -6.873 5.214 558 HD22 LEU 73 HD22 LEU 73 11.870 -6.529 6.089 559 HD23 LEU 73 HD23 LEU 73 11.930 -7.369 4.539 560 H VAL 74 H VAL 74 15.240 -3.240 4.009 561 HA VAL 74 HA VAL 74 17.068 -4.313 2.118 562 HB VAL 74 HB VAL 74 17.057 -1.693 3.632 563 HG11 VAL 74 HG11 VAL 74 19.220 -1.594 2.930 564 HG12 VAL 74 HG12 VAL 74 18.505 -1.271 1.351 565 HG13 VAL 74 HG13 VAL 74 19.005 -2.909 1.774 566 HG21 VAL 74 HG21 VAL 74 16.026 -2.642 0.961 567 HG22 VAL 74 HG22 VAL 74 16.429 -0.944 1.216 568 HG23 VAL 74 HG23 VAL 74 15.185 -1.713 2.202 569 H GLU 75 H GLU 75 17.375 -3.415 5.534 570 HA GLU 75 HA GLU 75 20.156 -3.857 5.755 571 HB2 GLU 75 HB2 GLU 75 17.970 -4.008 7.843 572 HB3 GLU 75 HB3 GLU 75 19.697 -4.004 8.199 573 HG2 GLU 75 HG2 GLU 75 18.231 -1.820 6.690 574 HG3 GLU 75 HG3 GLU 75 18.699 -1.734 8.387 575 H ASN 76 H ASN 76 17.384 -6.027 6.057 576 HA ASN 76 HA ASN 76 19.090 -8.234 6.911 577 HB2 ASN 76 HB2 ASN 76 16.129 -8.113 6.299 578 HB3 ASN 76 HB3 ASN 76 16.975 -9.521 6.938 579 HD21 ASN 76 HD21 ASN 76 14.852 -8.154 8.374 580 HD22 ASN 76 HD22 ASN 76 15.537 -7.485 9.775 581 H ALA 77 H ALA 77 16.723 -7.809 4.267 582 HA ALA 77 HA ALA 77 18.374 -9.634 2.630 583 HB1 ALA 77 HB1 ALA 77 15.464 -9.297 2.987 584 HB2 ALA 77 HB2 ALA 77 16.390 -10.729 2.538 585 HB3 ALA 77 HB3 ALA 77 15.996 -9.516 1.320 586 H GLY 78 H GLY 78 18.857 -9.093 0.499 587 HA2 GLY 78 HA2 GLY 78 19.049 -6.268 -0.046 588 HA3 GLY 78 HA3 GLY 78 19.598 -7.576 -1.093 589 H LEU 79 H LEU 79 17.338 -5.146 -0.749 590 HA LEU 79 HA LEU 79 15.303 -6.493 -2.388 591 HB2 LEU 79 HB2 LEU 79 14.653 -5.190 -0.325 592 HB3 LEU 79 HB3 LEU 79 15.191 -3.734 -1.160 593 HG LEU 79 HG LEU 79 13.621 -4.527 -3.080 594 HD11 LEU 79 HD11 LEU 79 11.843 -5.707 -1.072 595 HD12 LEU 79 HD12 LEU 79 13.284 -6.682 -1.358 596 HD13 LEU 79 HD13 LEU 79 12.220 -6.267 -2.700 597 HD21 LEU 79 HD21 LEU 79 13.128 -2.527 -1.847 598 HD22 LEU 79 HD22 LEU 79 12.671 -3.449 -0.415 599 HD23 LEU 79 HD23 LEU 79 11.649 -3.487 -1.852 600 H THR 80 H THR 80 15.103 -6.102 -4.504 601 HA THR 80 HA THR 80 16.482 -3.740 -5.622 602 HB THR 80 HB THR 80 17.038 -5.091 -7.606 603 HG1 THR 80 HG1 THR 80 16.821 -7.485 -7.003 604 HG21 THR 80 HG21 THR 80 18.690 -6.622 -6.442 605 HG22 THR 80 HG22 THR 80 17.943 -6.144 -4.918 606 HG23 THR 80 HG23 THR 80 18.743 -4.936 -5.924 607 H ASP 81 H ASP 81 15.665 -3.200 -7.856 608 HA ASP 81 HA ASP 81 12.969 -2.528 -7.777 609 HB2 ASP 81 HB2 ASP 81 14.834 -2.815 -10.137 610 HB3 ASP 81 HB3 ASP 81 13.230 -2.091 -10.234 611 H VAL 82 H VAL 82 14.516 -5.370 -9.235 612 HA VAL 82 HA VAL 82 12.376 -6.331 -10.732 613 HB VAL 82 HB VAL 82 14.781 -7.254 -10.521 614 HG11 VAL 82 HG11 VAL 82 13.497 -9.096 -8.512 615 HG12 VAL 82 HG12 VAL 82 14.356 -7.649 -7.986 616 HG13 VAL 82 HG13 VAL 82 15.208 -8.899 -8.892 617 HG21 VAL 82 HG21 VAL 82 13.300 -8.309 -12.048 618 HG22 VAL 82 HG22 VAL 82 12.276 -8.928 -10.752 619 HG23 VAL 82 HG23 VAL 82 13.876 -9.620 -11.018 620 H HIS 83 H HIS 83 13.033 -6.669 -7.270 621 HA HIS 83 HA HIS 83 10.996 -8.512 -6.658 622 HB2 HIS 83 HB2 HIS 83 12.216 -6.307 -4.983 623 HB3 HIS 83 HB3 HIS 83 11.151 -7.563 -4.349 624 HD2 HIS 83 HD2 HIS 83 12.273 -10.299 -4.903 625 HE1 HIS 83 HE1 HIS 83 16.235 -8.841 -4.849 626 HE2 HIS 83 HE2 HIS 83 14.802 -10.936 -4.768 627 H PHE 84 H PHE 84 10.984 -4.964 -6.765 628 HA PHE 84 HA PHE 84 8.358 -4.559 -5.849 629 HB2 PHE 84 HB2 PHE 84 10.068 -2.767 -6.117 630 HB3 PHE 84 HB3 PHE 84 9.879 -2.891 -7.867 631 HD1 PHE 84 HD1 PHE 84 8.204 -1.959 -4.702 632 HD2 PHE 84 HD2 PHE 84 7.917 -2.034 -8.987 633 HE1 PHE 84 HE1 PHE 84 6.240 -0.447 -4.597 634 HE2 PHE 84 HE2 PHE 84 5.953 -0.522 -8.882 635 HZ PHE 84 HZ PHE 84 5.115 0.271 -6.687 636 H ASP 85 H ASP 85 9.633 -5.014 -9.132 637 HA ASP 85 HA ASP 85 7.166 -4.711 -10.483 638 HB2 ASP 85 HB2 ASP 85 9.435 -4.629 -11.547 639 HB3 ASP 85 HB3 ASP 85 9.528 -6.381 -11.361 640 H ALA 86 H ALA 86 8.718 -7.461 -8.937 641 HA ALA 86 HA ALA 86 7.259 -9.560 -10.036 642 HB1 ALA 86 HB1 ALA 86 7.739 -9.823 -7.155 643 HB2 ALA 86 HB2 ALA 86 9.159 -9.316 -8.070 644 HB3 ALA 86 HB3 ALA 86 8.325 -10.810 -8.493 645 H ILE 87 H ILE 87 6.538 -7.932 -6.919 646 HA ILE 87 HA ILE 87 4.019 -9.175 -6.609 647 HB ILE 87 HB ILE 87 5.421 -7.967 -4.829 648 HG12 ILE 87 HG12 ILE 87 2.492 -7.198 -4.944 649 HG13 ILE 87 HG13 ILE 87 3.039 -8.837 -4.584 650 HG21 ILE 87 HG21 ILE 87 5.238 -5.829 -6.456 651 HG22 ILE 87 HG22 ILE 87 5.427 -5.675 -4.710 652 HG23 ILE 87 HG23 ILE 87 3.828 -5.530 -5.443 653 HD11 ILE 87 HD11 ILE 87 4.402 -7.918 -2.699 654 HD12 ILE 87 HD12 ILE 87 2.670 -7.655 -2.488 655 HD13 ILE 87 HD13 ILE 87 3.706 -6.330 -3.016 656 H ALA 88 H ALA 88 5.055 -6.363 -8.383 657 HA ALA 88 HA ALA 88 2.546 -5.088 -8.683 658 HB1 ALA 88 HB1 ALA 88 4.475 -4.944 -10.930 659 HB2 ALA 88 HB2 ALA 88 5.069 -4.418 -9.355 660 HB3 ALA 88 HB3 ALA 88 3.650 -3.648 -10.064 661 H GLU 89 H GLU 89 4.223 -7.549 -10.615 662 HA GLU 89 HA GLU 89 2.315 -7.670 -12.706 663 HB2 GLU 89 HB2 GLU 89 4.304 -9.710 -11.689 664 HB3 GLU 89 HB3 GLU 89 3.333 -9.929 -13.145 665 HG2 GLU 89 HG2 GLU 89 5.218 -7.605 -12.658 666 HG3 GLU 89 HG3 GLU 89 5.597 -9.015 -13.644 667 H ASN 90 H ASN 90 2.548 -9.256 -9.573 668 HA ASN 90 HA ASN 90 0.655 -11.279 -9.904 669 HB2 ASN 90 HB2 ASN 90 1.279 -9.607 -7.460 670 HB3 ASN 90 HB3 ASN 90 0.316 -11.082 -7.437 671 HD21 ASN 90 HD21 ASN 90 2.768 -10.911 -5.980 672 HD22 ASN 90 HD22 ASN 90 3.893 -11.956 -6.703 673 H LEU 91 H LEU 91 0.223 -7.850 -9.144 674 HA LEU 91 HA LEU 91 -2.562 -7.957 -8.632 675 HB2 LEU 91 HB2 LEU 91 -1.090 -6.042 -8.019 676 HB3 LEU 91 HB3 LEU 91 -0.953 -5.639 -9.729 677 HG LEU 91 HG LEU 91 -3.451 -5.442 -9.829 678 HD11 LEU 91 HD11 LEU 91 -4.464 -6.556 -8.107 679 HD12 LEU 91 HD12 LEU 91 -4.277 -5.010 -7.280 680 HD13 LEU 91 HD13 LEU 91 -3.108 -6.302 -7.009 681 HD21 LEU 91 HD21 LEU 91 -3.543 -3.276 -8.656 682 HD22 LEU 91 HD22 LEU 91 -2.008 -3.455 -9.506 683 HD23 LEU 91 HD23 LEU 91 -2.083 -3.693 -7.760 684 H VAL 92 H VAL 92 -0.680 -7.461 -11.588 685 HA VAL 92 HA VAL 92 -2.858 -6.830 -13.283 686 HB VAL 92 HB VAL 92 -0.157 -8.055 -13.876 687 HG11 VAL 92 HG11 VAL 92 -1.227 -8.611 -15.829 688 HG12 VAL 92 HG12 VAL 92 -0.911 -6.917 -16.201 689 HG13 VAL 92 HG13 VAL 92 -2.495 -7.407 -15.600 690 HG21 VAL 92 HG21 VAL 92 0.601 -5.891 -14.161 691 HG22 VAL 92 HG22 VAL 92 -0.637 -5.588 -12.943 692 HG23 VAL 92 HG23 VAL 92 -0.984 -5.289 -14.645 693 H LEU 93 H LEU 93 -1.241 -9.908 -12.540 694 HA LEU 93 HA LEU 93 -2.793 -11.504 -14.288 695 HB2 LEU 93 HB2 LEU 93 -1.390 -12.296 -11.724 696 HB3 LEU 93 HB3 LEU 93 -1.945 -13.400 -12.982 697 HG LEU 93 HG LEU 93 0.116 -11.204 -13.347 698 HD11 LEU 93 HD11 LEU 93 0.312 -13.903 -12.383 699 HD12 LEU 93 HD12 LEU 93 1.608 -12.737 -12.652 700 HD13 LEU 93 HD13 LEU 93 1.097 -13.803 -13.960 701 HD21 LEU 93 HD21 LEU 93 -0.764 -11.386 -15.475 702 HD22 LEU 93 HD22 LEU 93 -1.347 -13.028 -15.207 703 HD23 LEU 93 HD23 LEU 93 0.364 -12.742 -15.530 704 H THR 94 H THR 94 -3.264 -10.437 -10.966 705 HA THR 94 HA THR 94 -5.344 -12.154 -10.213 706 HB THR 94 HB THR 94 -5.038 -9.246 -9.434 707 HG1 THR 94 HG1 THR 94 -4.063 -11.303 -7.859 708 HG21 THR 94 HG21 THR 94 -7.167 -10.447 -8.807 709 HG22 THR 94 HG22 THR 94 -6.220 -9.880 -7.432 710 HG23 THR 94 HG23 THR 94 -6.181 -11.584 -7.888 711 H LEU 95 H LEU 95 -5.441 -9.043 -11.922 712 HA LEU 95 HA LEU 95 -8.265 -8.853 -12.060 713 HB2 LEU 95 HB2 LEU 95 -6.190 -7.687 -13.931 714 HB3 LEU 95 HB3 LEU 95 -7.868 -7.166 -13.789 715 HG LEU 95 HG LEU 95 -5.778 -7.053 -11.594 716 HD11 LEU 95 HD11 LEU 95 -7.146 -4.906 -13.241 717 HD12 LEU 95 HD12 LEU 95 -5.432 -5.320 -13.269 718 HD13 LEU 95 HD13 LEU 95 -6.139 -4.587 -11.829 719 HD21 LEU 95 HD21 LEU 95 -8.743 -6.649 -11.657 720 HD22 LEU 95 HD22 LEU 95 -7.782 -5.586 -10.629 721 HD23 LEU 95 HD23 LEU 95 -7.734 -7.331 -10.381 722 H GLN 96 H GLN 96 -5.851 -10.381 -14.124 723 HA GLN 96 HA GLN 96 -7.476 -10.906 -16.359 724 HB2 GLN 96 HB2 GLN 96 -5.130 -12.458 -15.243 725 HB3 GLN 96 HB3 GLN 96 -5.846 -12.733 -16.832 726 HG2 GLN 96 HG2 GLN 96 -5.346 -10.419 -17.481 727 HG3 GLN 96 HG3 GLN 96 -4.672 -10.103 -15.883 728 HE21 GLN 96 HE21 GLN 96 -3.050 -9.777 -18.190 729 HE22 GLN 96 HE22 GLN 96 -1.862 -10.990 -18.199 730 H GLU 97 H GLU 97 -7.011 -12.671 -13.336 731 HA GLU 97 HA GLU 97 -8.445 -15.005 -14.061 732 HB2 GLU 97 HB2 GLU 97 -7.942 -13.753 -11.351 733 HB3 GLU 97 HB3 GLU 97 -8.636 -15.356 -11.594 734 HG2 GLU 97 HG2 GLU 97 -6.607 -16.005 -12.885 735 HG3 GLU 97 HG3 GLU 97 -5.907 -14.427 -12.531 736 H LEU 98 H LEU 98 -9.424 -11.857 -12.903 737 HA LEU 98 HA LEU 98 -12.145 -12.665 -12.331 738 HB2 LEU 98 HB2 LEU 98 -10.980 -9.882 -12.591 739 HB3 LEU 98 HB3 LEU 98 -12.523 -10.313 -11.852 740 HG LEU 98 HG LEU 98 -9.776 -11.162 -10.886 741 HD11 LEU 98 HD11 LEU 98 -11.319 -8.824 -10.426 742 HD12 LEU 98 HD12 LEU 98 -9.848 -9.324 -9.590 743 HD13 LEU 98 HD13 LEU 98 -11.425 -9.800 -8.960 744 HD21 LEU 98 HD21 LEU 98 -12.572 -11.978 -10.150 745 HD22 LEU 98 HD22 LEU 98 -11.337 -11.916 -8.893 746 HD23 LEU 98 HD23 LEU 98 -11.122 -12.973 -10.289 747 H ASN 99 H ASN 99 -10.540 -12.406 -15.138 748 HA ASN 99 HA ASN 99 -11.180 -12.169 -17.332 749 HB2 ASN 99 HB2 ASN 99 -13.146 -13.535 -16.391 750 HB3 ASN 99 HB3 ASN 99 -14.033 -12.012 -16.379 751 HD21 ASN 99 HD21 ASN 99 -15.168 -13.760 -18.062 752 HD22 ASN 99 HD22 ASN 99 -14.751 -13.467 -19.681 753 H VAL 100 H VAL 100 -10.314 -9.885 -16.191 754 HA VAL 100 HA VAL 100 -12.252 -7.796 -16.954 755 HB VAL 100 HB VAL 100 -9.684 -7.553 -15.365 756 HG11 VAL 100 HG11 VAL 100 -11.947 -5.591 -15.856 757 HG12 VAL 100 HG12 VAL 100 -10.349 -5.506 -16.596 758 HG13 VAL 100 HG13 VAL 100 -10.525 -5.301 -14.853 759 HG21 VAL 100 HG21 VAL 100 -11.833 -8.812 -14.438 760 HG22 VAL 100 HG22 VAL 100 -12.432 -7.168 -14.230 761 HG23 VAL 100 HG23 VAL 100 -10.949 -7.676 -13.421 762 H SER 101 H SER 101 -11.817 -6.379 -18.581 763 HA SER 101 HA SER 101 -10.089 -7.094 -20.652 764 HB2 SER 101 HB2 SER 101 -12.023 -5.568 -20.911 765 HB3 SER 101 HB3 SER 101 -11.145 -4.328 -20.021 766 HG SER 101 HG SER 101 -10.194 -5.599 -22.375 767 H GLN 102 H GLN 102 -8.048 -6.536 -21.234 768 HA GLN 102 HA GLN 102 -6.151 -5.933 -19.263 769 HB2 GLN 102 HB2 GLN 102 -5.699 -7.079 -21.444 770 HB3 GLN 102 HB3 GLN 102 -5.837 -5.511 -22.240 771 HG2 GLN 102 HG2 GLN 102 -3.499 -5.867 -21.824 772 HG3 GLN 102 HG3 GLN 102 -4.047 -4.666 -20.655 773 HE21 GLN 102 HE21 GLN 102 -2.796 -5.124 -18.813 774 HE22 GLN 102 HE22 GLN 102 -2.699 -6.655 -18.084 775 H ASP 103 H ASP 103 -7.859 -3.836 -21.538 776 HA ASP 103 HA ASP 103 -6.333 -1.519 -21.304 777 HB2 ASP 103 HB2 ASP 103 -9.318 -1.858 -21.640 778 HB3 ASP 103 HB3 ASP 103 -8.486 -0.312 -21.791 779 H LEU 104 H LEU 104 -8.946 -2.709 -19.211 780 HA LEU 104 HA LEU 104 -8.987 -0.449 -17.487 781 HB2 LEU 104 HB2 LEU 104 -9.791 -3.312 -16.913 782 HB3 LEU 104 HB3 LEU 104 -10.237 -1.903 -15.951 783 HG LEU 104 HG LEU 104 -10.975 -2.374 -18.856 784 HD11 LEU 104 HD11 LEU 104 -13.308 -2.112 -17.487 785 HD12 LEU 104 HD12 LEU 104 -12.306 -2.879 -16.254 786 HD13 LEU 104 HD13 LEU 104 -12.545 -3.669 -17.812 787 HD21 LEU 104 HD21 LEU 104 -12.531 -0.335 -18.124 788 HD22 LEU 104 HD22 LEU 104 -10.902 -0.060 -18.740 789 HD23 LEU 104 HD23 LEU 104 -11.203 -0.033 -17.003 790 H ILE 105 H ILE 105 -7.164 -3.460 -17.517 791 HA ILE 105 HA ILE 105 -6.038 -3.306 -14.943 792 HB ILE 105 HB ILE 105 -4.851 -4.483 -17.468 793 HG12 ILE 105 HG12 ILE 105 -6.478 -5.789 -15.263 794 HG13 ILE 105 HG13 ILE 105 -7.127 -5.333 -16.838 795 HG21 ILE 105 HG21 ILE 105 -4.139 -5.892 -15.099 796 HG22 ILE 105 HG22 ILE 105 -3.820 -4.182 -14.806 797 HG23 ILE 105 HG23 ILE 105 -3.076 -4.994 -16.184 798 HD11 ILE 105 HD11 ILE 105 -6.492 -7.394 -17.523 799 HD12 ILE 105 HD12 ILE 105 -5.475 -7.639 -16.103 800 HD13 ILE 105 HD13 ILE 105 -4.846 -6.762 -17.498 801 H ASP 106 H ASP 106 -5.003 -1.954 -18.048 802 HA ASP 106 HA ASP 106 -2.484 -1.001 -17.282 803 HB2 ASP 106 HB2 ASP 106 -4.467 0.085 -19.289 804 HB3 ASP 106 HB3 ASP 106 -2.809 0.663 -19.133 805 H GLU 107 H GLU 107 -5.699 0.444 -16.945 806 HA GLU 107 HA GLU 107 -4.893 2.999 -16.084 807 HB2 GLU 107 HB2 GLU 107 -7.216 2.371 -16.747 808 HB3 GLU 107 HB3 GLU 107 -7.370 1.480 -15.233 809 HG2 GLU 107 HG2 GLU 107 -8.326 3.664 -14.880 810 HG3 GLU 107 HG3 GLU 107 -6.791 3.617 -14.017 811 H VAL 108 H VAL 108 -5.414 -0.020 -14.319 812 HA VAL 108 HA VAL 108 -5.109 1.064 -11.712 813 HB VAL 108 HB VAL 108 -4.710 -1.739 -12.779 814 HG11 VAL 108 HG11 VAL 108 -3.582 -2.000 -10.808 815 HG12 VAL 108 HG12 VAL 108 -5.208 -2.031 -10.125 816 HG13 VAL 108 HG13 VAL 108 -4.271 -0.537 -10.104 817 HG21 VAL 108 HG21 VAL 108 -6.953 -0.456 -11.184 818 HG22 VAL 108 HG22 VAL 108 -6.909 -2.124 -11.753 819 HG23 VAL 108 HG23 VAL 108 -7.011 -0.799 -12.913 820 H VAL 109 H VAL 109 -2.846 -0.325 -14.045 821 HA VAL 109 HA VAL 109 -0.580 -0.459 -12.390 822 HB VAL 109 HB VAL 109 -0.835 -0.038 -15.373 823 HG11 VAL 109 HG11 VAL 109 1.613 -1.080 -15.100 824 HG12 VAL 109 HG12 VAL 109 1.533 -0.216 -13.564 825 HG13 VAL 109 HG13 VAL 109 1.343 0.663 -15.081 826 HG21 VAL 109 HG21 VAL 109 0.184 -2.532 -14.093 827 HG22 VAL 109 HG22 VAL 109 -0.791 -2.337 -15.549 828 HG23 VAL 109 HG23 VAL 109 -1.544 -2.210 -13.959 829 H THR 110 H THR 110 -1.865 2.174 -14.381 830 HA THR 110 HA THR 110 0.273 3.971 -14.109 831 HB THR 110 HB THR 110 -2.668 4.644 -14.334 832 HG1 THR 110 HG1 THR 110 -1.429 3.176 -15.922 833 HG21 THR 110 HG21 THR 110 -1.343 6.590 -13.789 834 HG22 THR 110 HG22 THR 110 -1.735 6.662 -15.507 835 HG23 THR 110 HG23 THR 110 -0.127 6.154 -14.989 836 H ILE 111 H ILE 111 -2.534 3.374 -12.031 837 HA ILE 111 HA ILE 111 -2.254 5.541 -10.285 838 HB ILE 111 HB ILE 111 -3.211 2.736 -9.667 839 HG12 ILE 111 HG12 ILE 111 -4.768 5.228 -10.422 840 HG13 ILE 111 HG13 ILE 111 -4.378 3.930 -11.551 841 HG21 ILE 111 HG21 ILE 111 -3.191 3.554 -7.546 842 HG22 ILE 111 HG22 ILE 111 -4.597 4.484 -8.065 843 HG23 ILE 111 HG23 ILE 111 -2.994 5.219 -8.093 844 HD11 ILE 111 HD11 ILE 111 -6.526 3.338 -10.807 845 HD12 ILE 111 HD12 ILE 111 -6.199 3.859 -9.154 846 HD13 ILE 111 HD13 ILE 111 -5.474 2.373 -9.770 847 H VAL 112 H VAL 112 -0.894 2.251 -9.998 848 HA VAL 112 HA VAL 112 0.636 2.942 -7.655 849 HB VAL 112 HB VAL 112 1.588 0.688 -7.890 850 HG11 VAL 112 HG11 VAL 112 -0.532 0.773 -6.777 851 HG12 VAL 112 HG12 VAL 112 -0.630 -0.568 -7.916 852 HG13 VAL 112 HG13 VAL 112 -1.399 0.972 -8.301 853 HG21 VAL 112 HG21 VAL 112 1.764 0.670 -10.355 854 HG22 VAL 112 HG22 VAL 112 0.005 0.634 -10.479 855 HG23 VAL 112 HG23 VAL 112 0.867 -0.736 -9.780 856 H GLY 113 H GLY 113 1.147 2.912 -11.098 857 HA2 GLY 113 HA2 GLY 113 3.970 2.889 -11.151 858 HA3 GLY 113 HA3 GLY 113 2.928 3.541 -12.411 859 H SER 114 H SER 114 4.148 4.346 -9.152 860 HA SER 114 HA SER 114 4.256 7.176 -10.013 861 HB2 SER 114 HB2 SER 114 3.911 6.082 -7.212 862 HB3 SER 114 HB3 SER 114 3.995 7.785 -7.651 863 HG SER 114 HG SER 114 1.832 6.731 -7.429 864 H VAL 115 H VAL 115 6.143 8.273 -9.762 865 HA VAL 115 HA VAL 115 8.555 6.783 -9.487 866 HB VAL 115 HB VAL 115 8.033 9.760 -9.576 867 HG11 VAL 115 HG11 VAL 115 10.164 9.922 -8.819 868 HG12 VAL 115 HG12 VAL 115 10.630 9.312 -10.407 869 HG13 VAL 115 HG13 VAL 115 10.466 8.201 -9.049 870 HG21 VAL 115 HG21 VAL 115 8.107 9.555 -11.839 871 HG22 VAL 115 HG22 VAL 115 7.764 7.849 -11.545 872 HG23 VAL 115 HG23 VAL 115 9.427 8.387 -11.777 873 H GLN 116 H GLN 116 6.829 9.042 -7.364 874 HA GLN 116 HA GLN 116 8.762 9.266 -5.350 875 HB2 GLN 116 HB2 GLN 116 6.706 10.661 -5.528 876 HB3 GLN 116 HB3 GLN 116 5.758 9.274 -4.986 877 HG2 GLN 116 HG2 GLN 116 7.044 9.196 -2.891 878 HG3 GLN 116 HG3 GLN 116 8.024 10.557 -3.431 879 HE21 GLN 116 HE21 GLN 116 6.697 10.984 -1.073 880 HE22 GLN 116 HE22 GLN 116 5.355 11.997 -1.302 881 H HIS 117 H HIS 117 6.123 6.897 -5.717 882 HA HIS 117 HA HIS 117 6.625 5.543 -3.275 883 HB2 HIS 117 HB2 HIS 117 4.544 5.394 -4.768 884 HB3 HIS 117 HB3 HIS 117 5.467 4.247 -5.740 885 HD1 HIS 117 HD1 HIS 117 5.788 4.446 -1.993 886 HD2 HIS 117 HD2 HIS 117 4.033 1.966 -4.846 887 HE1 HIS 117 HE1 HIS 117 5.021 2.380 -0.759 888 H ARG 118 H ARG 118 7.679 4.919 -6.614 889 HA ARG 118 HA ARG 118 9.112 2.557 -6.126 890 HB2 ARG 118 HB2 ARG 118 8.541 3.435 -8.383 891 HB3 ARG 118 HB3 ARG 118 9.749 4.701 -8.165 892 HG2 ARG 118 HG2 ARG 118 11.496 2.966 -7.862 893 HG3 ARG 118 HG3 ARG 118 10.282 1.716 -8.140 894 HD2 ARG 118 HD2 ARG 118 9.817 2.731 -10.377 895 HD3 ARG 118 HD3 ARG 118 11.133 3.867 -10.098 896 HE ARG 118 HE ARG 118 11.385 1.040 -10.738 897 HH11 ARG 118 HH11 ARG 118 12.842 3.912 -9.472 898 HH12 ARG 118 HH12 ARG 118 14.465 3.392 -9.784 899 HH21 ARG 118 HH21 ARG 118 13.510 0.353 -11.151 900 HH22 ARG 118 HH22 ARG 118 14.842 1.377 -10.735 901 H ASN 119 H ASN 119 10.111 5.955 -5.951 902 HA ASN 119 HA ASN 119 12.853 5.532 -5.490 903 HB2 ASN 119 HB2 ASN 119 11.045 7.770 -4.553 904 HB3 ASN 119 HB3 ASN 119 12.806 7.805 -4.475 905 HD21 ASN 119 HD21 ASN 119 11.353 9.710 -6.047 906 HD22 ASN 119 HD22 ASN 119 11.688 9.413 -7.684 907 H ASP 120 H ASP 120 10.092 5.621 -3.291 908 HA ASP 120 HA ASP 120 11.504 5.610 -0.859 909 HB2 ASP 120 HB2 ASP 120 8.793 4.473 -1.570 910 HB3 ASP 120 HB3 ASP 120 9.407 4.607 0.077 911 H VAL 121 H VAL 121 10.554 3.010 -3.039 912 HA VAL 121 HA VAL 121 11.123 0.821 -1.371 913 HB VAL 121 HB VAL 121 11.303 1.082 -4.381 914 HG11 VAL 121 HG11 VAL 121 12.594 -0.847 -3.669 915 HG12 VAL 121 HG12 VAL 121 11.054 -1.418 -4.311 916 HG13 VAL 121 HG13 VAL 121 11.311 -1.347 -2.568 917 HG21 VAL 121 HG21 VAL 121 9.095 1.389 -2.892 918 HG22 VAL 121 HG22 VAL 121 9.134 -0.374 -2.933 919 HG23 VAL 121 HG23 VAL 121 9.059 0.542 -4.438 920 H LEU 122 H LEU 122 13.198 2.643 -3.606 921 HA LEU 122 HA LEU 122 15.517 1.037 -2.846 922 HB2 LEU 122 HB2 LEU 122 15.307 3.389 -4.740 923 HB3 LEU 122 HB3 LEU 122 16.710 2.340 -4.540 924 HG LEU 122 HG LEU 122 13.963 1.463 -5.485 925 HD11 LEU 122 HD11 LEU 122 14.709 2.066 -7.522 926 HD12 LEU 122 HD12 LEU 122 16.000 0.875 -7.356 927 HD13 LEU 122 HD13 LEU 122 16.268 2.544 -6.850 928 HD21 LEU 122 HD21 LEU 122 16.450 0.015 -4.668 929 HD22 LEU 122 HD22 LEU 122 15.554 -0.613 -6.051 930 HD23 LEU 122 HD23 LEU 122 14.763 -0.465 -4.482 931 H ASN 123 H ASN 123 13.897 3.541 -1.496 932 HA ASN 123 HA ASN 123 14.414 5.131 0.074 933 HB2 ASN 123 HB2 ASN 123 16.940 3.477 0.298 934 HB3 ASN 123 HB3 ASN 123 16.437 4.716 1.444 935 HD21 ASN 123 HD21 ASN 123 16.744 1.984 2.253 936 HD22 ASN 123 HD22 ASN 123 15.210 1.370 2.641 937 H ARG 124 H ARG 124 14.867 5.875 -2.561 938 HA ARG 124 HA ARG 124 17.258 7.597 -2.300 939 HB2 ARG 124 HB2 ARG 124 16.128 6.226 -4.742 940 HB3 ARG 124 HB3 ARG 124 17.261 7.571 -4.849 941 HG2 ARG 124 HG2 ARG 124 17.804 5.034 -3.279 942 HG3 ARG 124 HG3 ARG 124 18.352 5.295 -4.934 943 HD2 ARG 124 HD2 ARG 124 19.302 7.554 -3.869 944 HD3 ARG 124 HD3 ARG 124 19.279 6.581 -2.402 945 HE ARG 124 HE ARG 124 20.543 4.919 -4.056 946 HH11 ARG 124 HH11 ARG 124 20.853 8.334 -3.579 947 HH12 ARG 124 HH12 ARG 124 22.528 8.383 -4.017 948 HH21 ARG 124 HH21 ARG 124 22.740 4.977 -4.634 949 HH22 ARG 124 HH22 ARG 124 23.596 6.483 -4.613 950 HHA HEB 125 HHA HEB 125 4.438 -2.301 6.990 951 HHB HEB 125 HHB HEB 125 2.305 1.575 2.463 952 HHC HEB 125 HHC HEB 125 5.304 -1.908 -1.906 953 HHD HEB 125 HHD HEB 125 7.388 -5.784 2.606 954 HMA1 HEB 125 HMA1 HEB 125 1.938 2.207 6.157 955 HMA2 HEB 125 HMA2 HEB 125 0.786 1.596 4.971 956 HMA3 HEB 125 HMA3 HEB 125 2.135 2.608 4.456 957 HAA1 HEB 125 HAA1 HEB 125 2.700 -1.114 7.786 958 HAA2 HEB 125 HAA2 HEB 125 1.912 0.431 7.536 959 HBA1 HEB 125 HBA1 HEB 125 4.091 1.575 7.759 960 HBA2 HEB 125 HBA2 HEB 125 4.871 0.018 8.031 961 HMB1 HEB 125 HMB1 HEB 125 2.357 2.367 -1.230 962 HMB2 HEB 125 HMB2 HEB 125 2.643 2.864 0.438 963 HMB3 HEB 125 HMB3 HEB 125 1.259 1.843 0.048 964 HAB2 HEB 125 HAB2 HEB 125 4.271 -0.354 -2.921 965 HBB1 HEB 125 HBB1 HEB 125 2.053 1.382 -3.338 966 HBB2 HEB 125 HBB2 HEB 125 1.595 0.165 -2.145 967 HBB3 HEB 125 HBB3 HEB 125 2.196 -0.332 -3.728 968 HMC1 HEB 125 HMC1 HEB 125 5.922 -3.972 -2.838 969 HMC2 HEB 125 HMC2 HEB 125 7.260 -5.075 -2.517 970 HMC3 HEB 125 HMC3 HEB 125 7.551 -3.338 -2.601 971 HAC HEB 125 HAC HEB 125 8.821 -5.961 0.379 972 HBC1 HEB 125 HBC1 HEB 125 6.369 -7.030 -1.173 973 HBC2 HEB 125 HBC2 HEB 125 7.981 -7.907 -0.877 974 HMD1 HEB 125 HMD1 HEB 125 7.774 -6.257 6.324 975 HMD2 HEB 125 HMD2 HEB 125 8.248 -6.265 4.629 976 HMD3 HEB 125 HMD3 HEB 125 6.811 -7.146 5.145 977 HAD1 HEB 125 HAD1 HEB 125 6.082 -5.615 7.654 978 HAD2 HEB 125 HAD2 HEB 125 4.903 -4.332 7.845 979 HBD1 HEB 125 HBD1 HEB 125 7.275 -2.935 7.618 980 HBD2 HEB 125 HBD2 HEB 125 7.744 -4.366 8.533 Start of MODEL 3 1 H1 ALA 2 H1 ALA 2 -14.306 8.924 -7.835 2 H2 ALA 2 H2 ALA 2 -13.524 7.474 -7.421 3 H3 ALA 2 H3 ALA 2 -12.948 8.413 -8.714 4 HA ALA 2 HA ALA 2 -11.505 9.249 -7.254 5 HB1 ALA 2 HB1 ALA 2 -13.213 11.068 -7.583 6 HB2 ALA 2 HB2 ALA 2 -12.341 11.180 -6.053 7 HB3 ALA 2 HB3 ALA 2 -13.985 10.543 -6.087 8 H SER 3 H SER 3 -14.214 7.596 -5.855 9 HA SER 3 HA SER 3 -12.673 7.175 -3.363 10 HB2 SER 3 HB2 SER 3 -14.858 8.321 -3.055 11 HB3 SER 3 HB3 SER 3 -15.663 6.933 -3.780 12 HG SER 3 HG SER 3 -15.476 5.935 -1.948 13 H LEU 4 H LEU 4 -12.223 5.116 -2.733 14 HA LEU 4 HA LEU 4 -12.094 3.044 -4.574 15 HB2 LEU 4 HB2 LEU 4 -10.817 3.120 -2.451 16 HB3 LEU 4 HB3 LEU 4 -12.301 2.778 -1.565 17 HG LEU 4 HG LEU 4 -12.546 0.658 -2.869 18 HD11 LEU 4 HD11 LEU 4 -10.056 0.100 -3.839 19 HD12 LEU 4 HD12 LEU 4 -10.180 1.818 -4.213 20 HD13 LEU 4 HD13 LEU 4 -11.386 0.694 -4.833 21 HD21 LEU 4 HD21 LEU 4 -11.578 0.330 -0.750 22 HD22 LEU 4 HD22 LEU 4 -10.106 1.200 -1.185 23 HD23 LEU 4 HD23 LEU 4 -10.402 -0.413 -1.834 24 H TYR 5 H TYR 5 -14.641 3.831 -2.261 25 HA TYR 5 HA TYR 5 -16.184 1.496 -2.554 26 HB2 TYR 5 HB2 TYR 5 -17.081 4.328 -1.964 27 HB3 TYR 5 HB3 TYR 5 -18.048 2.875 -1.707 28 HD1 TYR 5 HD1 TYR 5 -15.082 4.773 -0.592 29 HD2 TYR 5 HD2 TYR 5 -17.560 1.335 0.110 30 HE1 TYR 5 HE1 TYR 5 -14.012 4.454 1.623 31 HE2 TYR 5 HE2 TYR 5 -16.489 1.017 2.325 32 HH TYR 5 HH TYR 5 -14.026 3.300 3.519 33 H GLU 6 H GLU 6 -16.149 4.539 -4.374 34 HA GLU 6 HA GLU 6 -18.364 3.879 -6.051 35 HB2 GLU 6 HB2 GLU 6 -17.564 6.202 -5.651 36 HB3 GLU 6 HB3 GLU 6 -16.117 5.831 -6.591 37 HG2 GLU 6 HG2 GLU 6 -17.568 5.232 -8.527 38 HG3 GLU 6 HG3 GLU 6 -18.977 5.717 -7.588 39 H LYS 7 H LYS 7 -14.851 3.527 -6.359 40 HA LYS 7 HA LYS 7 -14.734 2.771 -9.057 41 HB2 LYS 7 HB2 LYS 7 -12.984 1.854 -6.762 42 HB3 LYS 7 HB3 LYS 7 -12.589 1.701 -8.471 43 HG2 LYS 7 HG2 LYS 7 -13.192 4.362 -7.167 44 HG3 LYS 7 HG3 LYS 7 -11.562 3.708 -7.286 45 HD2 LYS 7 HD2 LYS 7 -12.044 3.475 -9.812 46 HD3 LYS 7 HD3 LYS 7 -13.415 4.546 -9.516 47 HE2 LYS 7 HE2 LYS 7 -11.855 6.171 -9.921 48 HE3 LYS 7 HE3 LYS 7 -11.498 5.923 -8.212 49 HZ1 LYS 7 HZ1 LYS 7 -10.162 4.341 -10.322 50 HZ2 LYS 7 HZ2 LYS 7 -9.680 4.575 -8.710 51 HZ3 LYS 7 HZ3 LYS 7 -9.562 5.849 -9.828 52 H LEU 8 H LEU 8 -15.065 0.743 -6.141 53 HA LEU 8 HA LEU 8 -15.647 -1.569 -7.871 54 HB2 LEU 8 HB2 LEU 8 -15.184 -1.482 -4.879 55 HB3 LEU 8 HB3 LEU 8 -15.302 -2.928 -5.883 56 HG LEU 8 HG LEU 8 -13.174 -0.776 -6.087 57 HD11 LEU 8 HD11 LEU 8 -12.177 -2.025 -4.494 58 HD12 LEU 8 HD12 LEU 8 -12.018 -3.289 -5.714 59 HD13 LEU 8 HD13 LEU 8 -13.403 -3.286 -4.621 60 HD21 LEU 8 HD21 LEU 8 -13.378 -1.500 -8.293 61 HD22 LEU 8 HD22 LEU 8 -13.926 -3.109 -7.821 62 HD23 LEU 8 HD23 LEU 8 -12.223 -2.675 -7.663 63 H GLY 9 H GLY 9 -17.220 0.842 -6.160 64 HA2 GLY 9 HA2 GLY 9 -19.483 1.202 -5.840 65 HA3 GLY 9 HA3 GLY 9 -19.795 -0.380 -6.550 66 H GLY 10 H GLY 10 -17.487 -0.727 -4.186 67 HA2 GLY 10 HA2 GLY 10 -18.836 -0.623 -1.754 68 HA3 GLY 10 HA3 GLY 10 -19.188 -2.200 -2.455 69 H ALA 11 H ALA 11 -17.341 -0.919 -0.220 70 HA ALA 11 HA ALA 11 -14.688 -1.689 -0.841 71 HB1 ALA 11 HB1 ALA 11 -14.521 -1.789 1.750 72 HB2 ALA 11 HB2 ALA 11 -16.172 -1.168 1.719 73 HB3 ALA 11 HB3 ALA 11 -14.866 -0.238 0.985 74 H ALA 12 H ALA 12 -17.480 -3.476 0.191 75 HA ALA 12 HA ALA 12 -16.261 -5.718 1.352 76 HB1 ALA 12 HB1 ALA 12 -18.809 -5.024 1.005 77 HB2 ALA 12 HB2 ALA 12 -18.335 -6.704 1.256 78 HB3 ALA 12 HB3 ALA 12 -18.660 -6.114 -0.373 79 H ALA 13 H ALA 13 -16.714 -4.803 -2.005 80 HA ALA 13 HA ALA 13 -16.096 -7.310 -3.176 81 HB1 ALA 13 HB1 ALA 13 -15.905 -4.476 -4.203 82 HB2 ALA 13 HB2 ALA 13 -17.150 -5.675 -4.554 83 HB3 ALA 13 HB3 ALA 13 -15.522 -5.880 -5.199 84 H VAL 14 H VAL 14 -14.136 -4.804 -1.778 85 HA VAL 14 HA VAL 14 -11.680 -5.297 -3.048 86 HB VAL 14 HB VAL 14 -12.187 -4.423 -0.195 87 HG11 VAL 14 HG11 VAL 14 -9.754 -4.776 -1.845 88 HG12 VAL 14 HG12 VAL 14 -9.935 -4.773 -0.091 89 HG13 VAL 14 HG13 VAL 14 -9.862 -3.247 -0.974 90 HG21 VAL 14 HG21 VAL 14 -13.085 -3.134 -2.364 91 HG22 VAL 14 HG22 VAL 14 -11.419 -2.559 -2.397 92 HG23 VAL 14 HG23 VAL 14 -12.424 -2.266 -0.979 93 H ASP 15 H ASP 15 -13.159 -6.815 -0.194 94 HA ASP 15 HA ASP 15 -10.958 -8.389 0.570 95 HB2 ASP 15 HB2 ASP 15 -12.402 -9.461 2.017 96 HB3 ASP 15 HB3 ASP 15 -13.306 -7.979 1.712 97 H LEU 16 H LEU 16 -13.540 -8.960 -1.780 98 HA LEU 16 HA LEU 16 -12.961 -11.665 -2.336 99 HB2 LEU 16 HB2 LEU 16 -15.030 -10.419 -3.043 100 HB3 LEU 16 HB3 LEU 16 -14.056 -9.611 -4.270 101 HG LEU 16 HG LEU 16 -13.368 -12.032 -4.970 102 HD11 LEU 16 HD11 LEU 16 -16.044 -12.922 -4.154 103 HD12 LEU 16 HD12 LEU 16 -14.948 -12.677 -2.796 104 HD13 LEU 16 HD13 LEU 16 -14.510 -13.785 -4.095 105 HD21 LEU 16 HD21 LEU 16 -15.741 -12.169 -6.169 106 HD22 LEU 16 HD22 LEU 16 -14.584 -10.904 -6.589 107 HD23 LEU 16 HD23 LEU 16 -15.916 -10.551 -5.488 108 H ALA 17 H ALA 17 -11.769 -8.645 -3.773 109 HA ALA 17 HA ALA 17 -10.151 -9.926 -5.751 110 HB1 ALA 17 HB1 ALA 17 -10.824 -7.239 -4.992 111 HB2 ALA 17 HB2 ALA 17 -10.127 -7.818 -6.505 112 HB3 ALA 17 HB3 ALA 17 -9.074 -7.376 -5.161 113 H VAL 18 H VAL 18 -9.557 -8.656 -2.504 114 HA VAL 18 HA VAL 18 -6.750 -8.969 -2.495 115 HB VAL 18 HB VAL 18 -8.758 -8.990 -0.234 116 HG11 VAL 18 HG11 VAL 18 -5.733 -8.987 -0.249 117 HG12 VAL 18 HG12 VAL 18 -6.812 -10.092 0.604 118 HG13 VAL 18 HG13 VAL 18 -6.672 -8.415 1.130 119 HG21 VAL 18 HG21 VAL 18 -8.430 -6.701 -0.116 120 HG22 VAL 18 HG22 VAL 18 -8.204 -6.935 -1.849 121 HG23 VAL 18 HG23 VAL 18 -6.802 -6.795 -0.789 122 H GLU 19 H GLU 19 -9.392 -11.169 -1.665 123 HA GLU 19 HA GLU 19 -7.919 -13.223 -0.476 124 HB2 GLU 19 HB2 GLU 19 -10.406 -13.107 -0.570 125 HB3 GLU 19 HB3 GLU 19 -10.331 -13.532 -2.280 126 HG2 GLU 19 HG2 GLU 19 -9.117 -15.624 -1.665 127 HG3 GLU 19 HG3 GLU 19 -9.334 -15.214 0.036 128 H LYS 20 H LYS 20 -8.763 -12.766 -3.913 129 HA LYS 20 HA LYS 20 -7.412 -15.065 -4.856 130 HB2 LYS 20 HB2 LYS 20 -8.100 -12.473 -6.258 131 HB3 LYS 20 HB3 LYS 20 -7.511 -13.923 -7.070 132 HG2 LYS 20 HG2 LYS 20 -9.444 -15.190 -6.121 133 HG3 LYS 20 HG3 LYS 20 -10.059 -13.681 -5.446 134 HD2 LYS 20 HD2 LYS 20 -10.093 -12.714 -7.751 135 HD3 LYS 20 HD3 LYS 20 -9.615 -14.292 -8.382 136 HE2 LYS 20 HE2 LYS 20 -11.712 -15.053 -6.871 137 HE3 LYS 20 HE3 LYS 20 -12.227 -13.412 -7.262 138 HZ1 LYS 20 HZ1 LYS 20 -12.905 -14.249 -9.189 139 HZ2 LYS 20 HZ2 LYS 20 -12.092 -15.720 -8.941 140 HZ3 LYS 20 HZ3 LYS 20 -11.270 -14.396 -9.618 141 H PHE 21 H PHE 21 -6.390 -11.711 -4.396 142 HA PHE 21 HA PHE 21 -3.884 -11.852 -5.644 143 HB2 PHE 21 HB2 PHE 21 -4.974 -9.753 -4.861 144 HB3 PHE 21 HB3 PHE 21 -4.613 -10.222 -3.200 145 HD1 PHE 21 HD1 PHE 21 -3.179 -9.131 -6.417 146 HD2 PHE 21 HD2 PHE 21 -2.329 -10.220 -2.351 147 HE1 PHE 21 HE1 PHE 21 -0.891 -8.200 -6.646 148 HE2 PHE 21 HE2 PHE 21 -0.041 -9.288 -2.580 149 HZ PHE 21 HZ PHE 21 0.677 -8.278 -4.727 150 H TYR 22 H TYR 22 -4.878 -12.646 -2.340 151 HA TYR 22 HA TYR 22 -2.362 -13.084 -1.209 152 HB2 TYR 22 HB2 TYR 22 -4.492 -13.043 0.064 153 HB3 TYR 22 HB3 TYR 22 -4.915 -14.606 -0.634 154 HD1 TYR 22 HD1 TYR 22 -2.632 -12.832 1.660 155 HD2 TYR 22 HD2 TYR 22 -3.771 -16.643 0.038 156 HE1 TYR 22 HE1 TYR 22 -1.301 -13.977 3.413 157 HE2 TYR 22 HE2 TYR 22 -2.439 -17.787 1.791 158 HH TYR 22 HH TYR 22 -0.916 -15.975 4.415 159 H GLY 23 H GLY 23 -4.434 -15.263 -3.089 160 HA2 GLY 23 HA2 GLY 23 -2.989 -17.635 -2.763 161 HA3 GLY 23 HA3 GLY 23 -3.972 -17.243 -4.170 162 H LYS 24 H LYS 24 -2.577 -15.015 -5.137 163 HA LYS 24 HA LYS 24 -0.530 -16.240 -6.651 164 HB2 LYS 24 HB2 LYS 24 -1.324 -13.366 -6.202 165 HB3 LYS 24 HB3 LYS 24 0.064 -13.791 -7.200 166 HG2 LYS 24 HG2 LYS 24 -1.770 -13.619 -8.711 167 HG3 LYS 24 HG3 LYS 24 -1.515 -15.346 -8.486 168 HD2 LYS 24 HD2 LYS 24 -3.349 -15.474 -6.905 169 HD3 LYS 24 HD3 LYS 24 -3.533 -13.719 -6.917 170 HE2 LYS 24 HE2 LYS 24 -5.229 -14.637 -8.368 171 HE3 LYS 24 HE3 LYS 24 -4.012 -13.872 -9.389 172 HZ1 LYS 24 HZ1 LYS 24 -3.580 -15.805 -10.352 173 HZ2 LYS 24 HZ2 LYS 24 -4.882 -16.491 -9.502 174 HZ3 LYS 24 HZ3 LYS 24 -3.311 -16.564 -8.858 175 H VAL 25 H VAL 25 -0.463 -14.268 -3.724 176 HA VAL 25 HA VAL 25 2.324 -13.840 -3.604 177 HB VAL 25 HB VAL 25 0.238 -13.996 -1.419 178 HG11 VAL 25 HG11 VAL 25 2.157 -12.577 -0.265 179 HG12 VAL 25 HG12 VAL 25 3.192 -13.493 -1.361 180 HG13 VAL 25 HG13 VAL 25 2.179 -14.339 -0.192 181 HG21 VAL 25 HG21 VAL 25 0.108 -12.172 -3.189 182 HG22 VAL 25 HG22 VAL 25 1.673 -11.605 -2.608 183 HG23 VAL 25 HG23 VAL 25 0.275 -11.591 -1.533 184 H LEU 26 H LEU 26 0.274 -16.450 -2.377 185 HA LEU 26 HA LEU 26 2.254 -17.825 -0.910 186 HB2 LEU 26 HB2 LEU 26 -0.393 -18.136 -1.154 187 HB3 LEU 26 HB3 LEU 26 0.118 -19.371 -2.301 188 HG LEU 26 HG LEU 26 -0.092 -20.412 -0.124 189 HD11 LEU 26 HD11 LEU 26 2.018 -21.442 0.010 190 HD12 LEU 26 HD12 LEU 26 2.872 -19.961 -0.418 191 HD13 LEU 26 HD13 LEU 26 1.971 -20.848 -1.648 192 HD21 LEU 26 HD21 LEU 26 0.439 -19.370 1.814 193 HD22 LEU 26 HD22 LEU 26 0.658 -17.912 0.847 194 HD23 LEU 26 HD23 LEU 26 2.044 -18.935 1.225 195 H ALA 27 H ALA 27 1.274 -17.977 -4.310 196 HA ALA 27 HA ALA 27 2.835 -20.230 -5.026 197 HB1 ALA 27 HB1 ALA 27 2.155 -19.810 -7.175 198 HB2 ALA 27 HB2 ALA 27 2.413 -18.071 -7.031 199 HB3 ALA 27 HB3 ALA 27 0.972 -18.809 -6.334 200 H ASP 28 H ASP 28 3.518 -16.754 -4.958 201 HA ASP 28 HA ASP 28 6.219 -17.175 -5.970 202 HB2 ASP 28 HB2 ASP 28 4.884 -15.188 -6.640 203 HB3 ASP 28 HB3 ASP 28 4.906 -14.641 -4.965 204 H GLU 29 H GLU 29 7.369 -18.287 -4.439 205 HA GLU 29 HA GLU 29 7.274 -17.638 -1.644 206 HB2 GLU 29 HB2 GLU 29 7.829 -19.909 -2.521 207 HB3 GLU 29 HB3 GLU 29 9.355 -19.259 -3.125 208 HG2 GLU 29 HG2 GLU 29 9.934 -18.541 -0.814 209 HG3 GLU 29 HG3 GLU 29 8.443 -19.280 -0.233 210 H ARG 30 H ARG 30 9.106 -16.541 -4.376 211 HA ARG 30 HA ARG 30 11.454 -15.621 -3.226 212 HB2 ARG 30 HB2 ARG 30 9.785 -14.323 -5.393 213 HB3 ARG 30 HB3 ARG 30 11.458 -13.907 -5.024 214 HG2 ARG 30 HG2 ARG 30 12.107 -16.277 -5.458 215 HG3 ARG 30 HG3 ARG 30 10.442 -16.614 -5.936 216 HD2 ARG 30 HD2 ARG 30 12.306 -14.618 -7.253 217 HD3 ARG 30 HD3 ARG 30 11.807 -16.169 -7.921 218 HE ARG 30 HE ARG 30 9.443 -14.876 -7.456 219 HH11 ARG 30 HH11 ARG 30 12.389 -14.107 -9.100 220 HH12 ARG 30 HH12 ARG 30 11.628 -13.086 -10.275 221 HH21 ARG 30 HH21 ARG 30 8.440 -13.537 -8.993 222 HH22 ARG 30 HH22 ARG 30 9.393 -12.763 -10.214 223 H VAL 31 H VAL 31 8.253 -14.102 -3.255 224 HA VAL 31 HA VAL 31 9.183 -11.728 -1.899 225 HB VAL 31 HB VAL 31 6.708 -11.246 -1.716 226 HG11 VAL 31 HG11 VAL 31 7.764 -11.973 -4.467 227 HG12 VAL 31 HG12 VAL 31 8.111 -10.469 -3.613 228 HG13 VAL 31 HG13 VAL 31 6.463 -10.832 -4.125 229 HG21 VAL 31 HG21 VAL 31 6.375 -13.612 -3.556 230 HG22 VAL 31 HG22 VAL 31 5.132 -12.708 -2.693 231 HG23 VAL 31 HG23 VAL 31 6.202 -13.796 -1.811 232 H ASN 32 H ASN 32 7.761 -14.800 -1.009 233 HA ASN 32 HA ASN 32 6.871 -14.223 1.576 234 HB2 ASN 32 HB2 ASN 32 8.079 -16.769 0.474 235 HB3 ASN 32 HB3 ASN 32 7.256 -16.647 2.029 236 HD21 ASN 32 HD21 ASN 32 6.139 -18.376 0.151 237 HD22 ASN 32 HD22 ASN 32 4.709 -17.708 -0.475 238 H ARG 33 H ARG 33 10.105 -14.709 0.338 239 HA ARG 33 HA ARG 33 11.513 -15.294 2.659 240 HB2 ARG 33 HB2 ARG 33 12.335 -13.539 0.334 241 HB3 ARG 33 HB3 ARG 33 13.439 -14.179 1.552 242 HG2 ARG 33 HG2 ARG 33 12.711 -16.489 0.942 243 HG3 ARG 33 HG3 ARG 33 11.720 -15.802 -0.347 244 HD2 ARG 33 HD2 ARG 33 13.823 -14.710 -1.241 245 HD3 ARG 33 HD3 ARG 33 14.731 -15.670 -0.077 246 HE ARG 33 HE ARG 33 13.272 -17.550 -1.371 247 HH11 ARG 33 HH11 ARG 33 15.248 -14.908 -2.412 248 HH12 ARG 33 HH12 ARG 33 15.734 -15.671 -3.889 249 HH21 ARG 33 HH21 ARG 33 13.903 -18.558 -3.308 250 HH22 ARG 33 HH22 ARG 33 14.971 -17.738 -4.396 251 H PHE 34 H PHE 34 10.280 -12.200 1.493 252 HA PHE 34 HA PHE 34 11.559 -10.664 3.573 253 HB2 PHE 34 HB2 PHE 34 9.365 -9.968 1.608 254 HB3 PHE 34 HB3 PHE 34 10.123 -8.816 2.710 255 HD1 PHE 34 HD1 PHE 34 12.496 -8.191 2.455 256 HD2 PHE 34 HD2 PHE 34 10.567 -10.858 -0.303 257 HE1 PHE 34 HE1 PHE 34 14.372 -7.899 0.859 258 HE2 PHE 34 HE2 PHE 34 12.442 -10.566 -1.899 259 HZ PHE 34 HZ PHE 34 14.346 -9.087 -1.317 260 H PHE 35 H PHE 35 8.705 -12.547 3.317 261 HA PHE 35 HA PHE 35 7.432 -11.181 5.584 262 HB2 PHE 35 HB2 PHE 35 6.459 -13.308 3.676 263 HB3 PHE 35 HB3 PHE 35 5.548 -12.805 5.099 264 HD1 PHE 35 HD1 PHE 35 4.904 -10.373 5.355 265 HD2 PHE 35 HD2 PHE 35 6.473 -11.978 1.693 266 HE1 PHE 35 HE1 PHE 35 4.033 -8.406 4.121 267 HE2 PHE 35 HE2 PHE 35 5.602 -10.011 0.458 268 HZ PHE 35 HZ PHE 35 4.382 -8.225 1.672 269 H VAL 36 H VAL 36 9.856 -13.172 5.475 270 HA VAL 36 HA VAL 36 9.089 -15.487 6.906 271 HB VAL 36 HB VAL 36 11.482 -15.703 7.429 272 HG11 VAL 36 HG11 VAL 36 11.103 -16.504 5.284 273 HG12 VAL 36 HG12 VAL 36 12.266 -15.224 4.938 274 HG13 VAL 36 HG13 VAL 36 10.543 -14.942 4.690 275 HG21 VAL 36 HG21 VAL 36 11.653 -12.905 6.262 276 HG22 VAL 36 HG22 VAL 36 13.036 -13.912 6.690 277 HG23 VAL 36 HG23 VAL 36 11.940 -13.339 7.947 278 H ASN 37 H ASN 37 10.010 -12.242 7.934 279 HA ASN 37 HA ASN 37 9.926 -13.001 10.751 280 HB2 ASN 37 HB2 ASN 37 10.411 -10.334 9.405 281 HB3 ASN 37 HB3 ASN 37 10.510 -10.623 11.142 282 HD21 ASN 37 HD21 ASN 37 12.781 -9.757 9.567 283 HD22 ASN 37 HD22 ASN 37 13.927 -11.009 9.589 284 H THR 38 H THR 38 7.620 -12.517 8.543 285 HA THR 38 HA THR 38 5.806 -11.214 10.483 286 HB THR 38 HB THR 38 5.649 -11.026 7.467 287 HG1 THR 38 HG1 THR 38 7.078 -9.533 7.767 288 HG21 THR 38 HG21 THR 38 3.466 -10.719 8.187 289 HG22 THR 38 HG22 THR 38 4.080 -9.070 8.306 290 HG23 THR 38 HG23 THR 38 3.964 -10.074 9.751 291 H ASP 39 H ASP 39 3.816 -12.153 10.794 292 HA ASP 39 HA ASP 39 3.542 -14.903 9.922 293 HB2 ASP 39 HB2 ASP 39 1.608 -14.965 11.392 294 HB3 ASP 39 HB3 ASP 39 2.948 -14.180 12.228 295 H MET 40 H MET 40 1.470 -15.695 9.019 296 HA MET 40 HA MET 40 0.833 -14.397 6.599 297 HB2 MET 40 HB2 MET 40 -0.626 -16.564 8.122 298 HB3 MET 40 HB3 MET 40 -1.043 -16.051 6.487 299 HG2 MET 40 HG2 MET 40 1.298 -16.578 5.776 300 HG3 MET 40 HG3 MET 40 1.604 -17.217 7.393 301 HE1 MET 40 HE1 MET 40 2.473 -18.742 5.715 302 HE2 MET 40 HE2 MET 40 1.570 -19.846 4.680 303 HE3 MET 40 HE3 MET 40 1.857 -20.267 6.366 304 H ALA 41 H ALA 41 -0.689 -14.338 9.778 305 HA ALA 41 HA ALA 41 -3.138 -13.159 9.083 306 HB1 ALA 41 HB1 ALA 41 -2.512 -12.071 11.553 307 HB2 ALA 41 HB2 ALA 41 -1.576 -13.566 11.517 308 HB3 ALA 41 HB3 ALA 41 -3.323 -13.614 11.281 309 H LYS 42 H LYS 42 -0.226 -11.529 10.357 310 HA LYS 42 HA LYS 42 -1.154 -8.906 9.877 311 HB2 LYS 42 HB2 LYS 42 1.702 -9.897 10.036 312 HB3 LYS 42 HB3 LYS 42 1.175 -8.225 10.214 313 HG2 LYS 42 HG2 LYS 42 0.245 -10.485 12.008 314 HG3 LYS 42 HG3 LYS 42 1.577 -9.400 12.404 315 HD2 LYS 42 HD2 LYS 42 -0.121 -7.488 11.987 316 HD3 LYS 42 HD3 LYS 42 -1.354 -8.743 12.110 317 HE2 LYS 42 HE2 LYS 42 -0.593 -9.351 14.335 318 HE3 LYS 42 HE3 LYS 42 0.756 -8.221 14.219 319 HZ1 LYS 42 HZ1 LYS 42 -1.511 -6.760 13.638 320 HZ2 LYS 42 HZ2 LYS 42 -0.584 -6.691 15.061 321 HZ3 LYS 42 HZ3 LYS 42 -1.932 -7.721 14.971 322 H GLN 43 H GLN 43 0.578 -11.218 7.879 323 HA GLN 43 HA GLN 43 1.495 -9.543 5.845 324 HB2 GLN 43 HB2 GLN 43 1.981 -12.000 6.091 325 HB3 GLN 43 HB3 GLN 43 0.369 -12.323 5.452 326 HG2 GLN 43 HG2 GLN 43 0.946 -11.030 3.408 327 HG3 GLN 43 HG3 GLN 43 2.575 -10.799 4.039 328 HE21 GLN 43 HE21 GLN 43 1.750 -13.792 5.149 329 HE22 GLN 43 HE22 GLN 43 2.326 -14.746 3.870 330 H LYS 44 H LYS 44 -1.699 -10.998 6.326 331 HA LYS 44 HA LYS 44 -2.849 -10.273 3.871 332 HB2 LYS 44 HB2 LYS 44 -4.055 -10.664 6.611 333 HB3 LYS 44 HB3 LYS 44 -5.025 -10.354 5.170 334 HG2 LYS 44 HG2 LYS 44 -3.964 -12.331 4.078 335 HG3 LYS 44 HG3 LYS 44 -3.111 -12.668 5.584 336 HD2 LYS 44 HD2 LYS 44 -5.061 -13.260 6.716 337 HD3 LYS 44 HD3 LYS 44 -6.094 -12.336 5.624 338 HE2 LYS 44 HE2 LYS 44 -4.560 -14.819 4.808 339 HE3 LYS 44 HE3 LYS 44 -6.258 -14.819 5.287 340 HZ1 LYS 44 HZ1 LYS 44 -6.598 -14.464 3.112 341 HZ2 LYS 44 HZ2 LYS 44 -5.026 -13.880 2.841 342 HZ3 LYS 44 HZ3 LYS 44 -6.219 -12.853 3.480 343 H GLN 45 H GLN 45 -2.403 -8.460 6.858 344 HA GLN 45 HA GLN 45 -4.055 -6.264 6.294 345 HB2 GLN 45 HB2 GLN 45 -2.929 -6.743 8.487 346 HB3 GLN 45 HB3 GLN 45 -1.417 -6.182 7.772 347 HG2 GLN 45 HG2 GLN 45 -2.571 -4.013 7.218 348 HG3 GLN 45 HG3 GLN 45 -3.960 -4.579 8.144 349 HE21 GLN 45 HE21 GLN 45 -3.929 -4.026 10.327 350 HE22 GLN 45 HE22 GLN 45 -2.535 -3.617 11.204 351 H HIS 46 H HIS 46 -0.689 -6.929 5.401 352 HA HIS 46 HA HIS 46 -0.083 -4.420 4.286 353 HB2 HIS 46 HB2 HIS 46 1.589 -6.203 4.777 354 HB3 HIS 46 HB3 HIS 46 0.972 -7.115 3.399 355 HD1 HIS 46 HD1 HIS 46 1.824 -6.468 1.112 356 HD2 HIS 46 HD2 HIS 46 2.756 -3.612 4.002 357 HE1 HIS 46 HE1 HIS 46 3.352 -4.788 -0.009 358 H GLN 47 H GLN 47 -1.430 -7.360 2.792 359 HA GLN 47 HA GLN 47 -1.557 -6.381 0.154 360 HB2 GLN 47 HB2 GLN 47 -3.125 -8.489 1.629 361 HB3 GLN 47 HB3 GLN 47 -3.445 -8.106 -0.061 362 HG2 GLN 47 HG2 GLN 47 -1.727 -10.002 0.538 363 HG3 GLN 47 HG3 GLN 47 -1.373 -8.882 -0.772 364 HE21 GLN 47 HE21 GLN 47 -0.301 -10.019 2.322 365 HE22 GLN 47 HE22 GLN 47 1.005 -8.949 2.493 366 H LYS 48 H LYS 48 -3.796 -6.099 2.872 367 HA LYS 48 HA LYS 48 -6.011 -5.080 1.469 368 HB2 LYS 48 HB2 LYS 48 -6.019 -5.862 3.852 369 HB3 LYS 48 HB3 LYS 48 -5.167 -4.384 4.292 370 HG2 LYS 48 HG2 LYS 48 -7.417 -3.826 4.686 371 HG3 LYS 48 HG3 LYS 48 -7.123 -3.162 3.080 372 HD2 LYS 48 HD2 LYS 48 -8.201 -5.035 2.019 373 HD3 LYS 48 HD3 LYS 48 -8.279 -5.924 3.540 374 HE2 LYS 48 HE2 LYS 48 -10.405 -4.650 2.688 375 HE3 LYS 48 HE3 LYS 48 -9.977 -4.567 4.396 376 HZ1 LYS 48 HZ1 LYS 48 -10.423 -2.425 2.885 377 HZ2 LYS 48 HZ2 LYS 48 -8.741 -2.574 2.686 378 HZ3 LYS 48 HZ3 LYS 48 -9.406 -2.414 4.242 379 H ASP 49 H ASP 49 -3.433 -3.339 3.222 380 HA ASP 49 HA ASP 49 -4.277 -0.751 2.414 381 HB2 ASP 49 HB2 ASP 49 -1.599 -1.767 3.386 382 HB3 ASP 49 HB3 ASP 49 -1.979 -0.062 3.137 383 H PHE 50 H PHE 50 -1.965 -3.072 1.085 384 HA PHE 50 HA PHE 50 -0.792 -1.427 -0.867 385 HB2 PHE 50 HB2 PHE 50 0.034 -3.685 -0.227 386 HB3 PHE 50 HB3 PHE 50 -1.349 -4.396 -1.058 387 HD1 PHE 50 HD1 PHE 50 -1.601 -4.158 -3.516 388 HD2 PHE 50 HD2 PHE 50 1.897 -2.764 -1.449 389 HE1 PHE 50 HE1 PHE 50 -0.385 -4.015 -5.672 390 HE2 PHE 50 HE2 PHE 50 3.114 -2.621 -3.606 391 HZ PHE 50 HZ PHE 50 1.973 -3.247 -5.717 392 H MET 51 H MET 51 -3.620 -3.582 -1.075 393 HA MET 51 HA MET 51 -4.213 -3.081 -3.786 394 HB2 MET 51 HB2 MET 51 -5.145 -4.948 -2.375 395 HB3 MET 51 HB3 MET 51 -6.202 -3.760 -1.612 396 HG2 MET 51 HG2 MET 51 -7.521 -4.657 -3.358 397 HG3 MET 51 HG3 MET 51 -6.915 -3.138 -4.018 398 HE1 MET 51 HE1 MET 51 -7.165 -5.631 -6.948 399 HE2 MET 51 HE2 MET 51 -6.987 -3.883 -6.809 400 HE3 MET 51 HE3 MET 51 -8.117 -4.733 -5.757 401 H THR 52 H THR 52 -5.261 -1.486 -0.801 402 HA THR 52 HA THR 52 -7.165 0.250 -1.956 403 HB THR 52 HB THR 52 -5.440 0.782 0.474 404 HG1 THR 52 HG1 THR 52 -6.606 -1.265 0.420 405 HG21 THR 52 HG21 THR 52 -7.296 2.393 -0.819 406 HG22 THR 52 HG22 THR 52 -6.780 2.557 0.859 407 HG23 THR 52 HG23 THR 52 -8.234 1.638 0.471 408 H TYR 53 H TYR 53 -3.685 0.604 -1.377 409 HA TYR 53 HA TYR 53 -3.443 3.296 -2.163 410 HB2 TYR 53 HB2 TYR 53 -1.676 1.997 -0.982 411 HB3 TYR 53 HB3 TYR 53 -1.383 1.101 -2.473 412 HD1 TYR 53 HD1 TYR 53 -1.211 4.434 -0.868 413 HD2 TYR 53 HD2 TYR 53 -0.235 2.103 -4.340 414 HE1 TYR 53 HE1 TYR 53 0.268 6.256 -1.675 415 HE2 TYR 53 HE2 TYR 53 1.244 3.922 -5.148 416 HH TYR 53 HH TYR 53 2.541 6.093 -3.520 417 H ALA 54 H ALA 54 -3.470 0.297 -4.009 418 HA ALA 54 HA ALA 54 -2.556 1.248 -6.474 419 HB1 ALA 54 HB1 ALA 54 -2.981 -0.865 -7.089 420 HB2 ALA 54 HB2 ALA 54 -4.710 -0.644 -6.824 421 HB3 ALA 54 HB3 ALA 54 -3.669 -1.137 -5.488 422 H PHE 55 H PHE 55 -5.668 1.580 -4.902 423 HA PHE 55 HA PHE 55 -6.887 2.718 -7.302 424 HB2 PHE 55 HB2 PHE 55 -7.939 2.118 -4.537 425 HB3 PHE 55 HB3 PHE 55 -8.885 2.975 -5.756 426 HD1 PHE 55 HD1 PHE 55 -9.319 1.858 -7.987 427 HD2 PHE 55 HD2 PHE 55 -7.693 -0.250 -4.617 428 HE1 PHE 55 HE1 PHE 55 -9.944 -0.299 -9.036 429 HE2 PHE 55 HE2 PHE 55 -8.317 -2.409 -5.668 430 HZ PHE 55 HZ PHE 55 -9.442 -2.433 -7.877 431 H GLY 56 H GLY 56 -4.747 3.866 -5.192 432 HA2 GLY 56 HA2 GLY 56 -4.054 6.060 -4.855 433 HA3 GLY 56 HA3 GLY 56 -5.531 6.615 -5.637 434 H GLY 57 H GLY 57 -5.329 4.389 -2.906 435 HA2 GLY 57 HA2 GLY 57 -7.266 5.844 -1.396 436 HA3 GLY 57 HA3 GLY 57 -6.326 4.468 -0.826 437 H THR 58 H THR 58 -5.314 7.678 -1.992 438 HA THR 58 HA THR 58 -3.288 7.982 -0.044 439 HB THR 58 HB THR 58 -3.133 10.283 -0.836 440 HG1 THR 58 HG1 THR 58 -4.753 11.233 -1.829 441 HG21 THR 58 HG21 THR 58 -3.256 7.954 -2.589 442 HG22 THR 58 HG22 THR 58 -2.068 9.257 -2.539 443 HG23 THR 58 HG23 THR 58 -3.558 9.457 -3.461 444 H ASP 59 H ASP 59 -6.599 8.079 0.304 445 HA ASP 59 HA ASP 59 -7.149 10.231 1.965 446 HB2 ASP 59 HB2 ASP 59 -8.226 7.405 2.042 447 HB3 ASP 59 HB3 ASP 59 -8.904 8.740 2.973 448 H ARG 60 H ARG 60 -5.604 7.148 2.722 449 HA ARG 60 HA ARG 60 -5.367 7.911 5.546 450 HB2 ARG 60 HB2 ARG 60 -6.000 5.544 4.667 451 HB3 ARG 60 HB3 ARG 60 -4.273 5.379 4.351 452 HG2 ARG 60 HG2 ARG 60 -3.811 5.976 6.727 453 HG3 ARG 60 HG3 ARG 60 -5.548 6.039 7.021 454 HD2 ARG 60 HD2 ARG 60 -5.718 3.664 6.266 455 HD3 ARG 60 HD3 ARG 60 -3.963 3.618 6.119 456 HE ARG 60 HE ARG 60 -3.842 3.416 8.426 457 HH11 ARG 60 HH11 ARG 60 -6.935 4.623 7.452 458 HH12 ARG 60 HH12 ARG 60 -7.618 4.550 9.043 459 HH21 ARG 60 HH21 ARG 60 -4.729 3.319 10.514 460 HH22 ARG 60 HH22 ARG 60 -6.369 3.811 10.777 461 H PHE 61 H PHE 61 -2.851 6.020 5.284 462 HA PHE 61 HA PHE 61 -0.607 6.553 5.633 463 HB2 PHE 61 HB2 PHE 61 -0.829 7.688 2.852 464 HB3 PHE 61 HB3 PHE 61 0.498 6.770 3.566 465 HD1 PHE 61 HD1 PHE 61 -0.251 4.365 4.513 466 HD2 PHE 61 HD2 PHE 61 -2.256 6.552 1.408 467 HE1 PHE 61 HE1 PHE 61 -1.261 2.258 3.681 468 HE2 PHE 61 HE2 PHE 61 -3.267 4.445 0.575 469 HZ PHE 61 HZ PHE 61 -2.770 2.298 1.713 470 HA PRO 62 HA PRO 62 -1.533 11.042 6.631 471 HB2 PRO 62 HB2 PRO 62 0.130 10.201 8.953 472 HB3 PRO 62 HB3 PRO 62 -1.374 11.139 8.923 473 HG2 PRO 62 HG2 PRO 62 -1.313 8.585 9.708 474 HG3 PRO 62 HG3 PRO 62 -2.695 9.273 8.841 475 HD2 PRO 62 HD2 PRO 62 -0.594 7.404 7.846 476 HD3 PRO 62 HD3 PRO 62 -2.291 7.570 7.344 477 H GLY 63 H GLY 63 1.362 9.068 6.522 478 HA2 GLY 63 HA2 GLY 63 2.978 10.403 4.910 479 HA3 GLY 63 HA3 GLY 63 3.111 11.411 6.348 480 H ARG 64 H ARG 64 3.679 10.212 8.397 481 HA ARG 64 HA ARG 64 5.485 9.174 9.442 482 HB2 ARG 64 HB2 ARG 64 4.412 6.763 7.976 483 HB3 ARG 64 HB3 ARG 64 5.150 6.823 9.577 484 HG2 ARG 64 HG2 ARG 64 2.536 8.176 8.845 485 HG3 ARG 64 HG3 ARG 64 2.658 6.618 9.661 486 HD2 ARG 64 HD2 ARG 64 4.031 7.780 11.447 487 HD3 ARG 64 HD3 ARG 64 3.601 9.306 10.683 488 HE ARG 64 HE ARG 64 1.189 8.087 11.078 489 HH11 ARG 64 HH11 ARG 64 3.933 8.824 13.047 490 HH12 ARG 64 HH12 ARG 64 3.013 9.014 14.504 491 HH21 ARG 64 HH21 ARG 64 -0.029 8.332 12.984 492 HH22 ARG 64 HH22 ARG 64 0.770 8.735 14.468 493 H SER 65 H SER 65 6.749 6.721 8.528 494 HA SER 65 HA SER 65 8.296 7.725 6.216 495 HB2 SER 65 HB2 SER 65 10.229 6.445 7.510 496 HB3 SER 65 HB3 SER 65 9.854 8.129 7.860 497 HG SER 65 HG SER 65 8.207 6.810 9.330 498 H MET 66 H MET 66 7.108 6.304 4.860 499 HA MET 66 HA MET 66 6.751 3.553 5.297 500 HB2 MET 66 HB2 MET 66 7.015 5.105 2.711 501 HB3 MET 66 HB3 MET 66 6.476 3.428 2.817 502 HG2 MET 66 HG2 MET 66 5.147 5.754 4.239 503 HG3 MET 66 HG3 MET 66 4.573 5.044 2.730 504 HE1 MET 66 HE1 MET 66 3.230 4.009 6.717 505 HE2 MET 66 HE2 MET 66 3.485 5.492 5.800 506 HE3 MET 66 HE3 MET 66 4.849 4.712 6.598 507 H ARG 67 H ARG 67 9.441 5.370 3.926 508 HA ARG 67 HA ARG 67 10.909 3.232 2.848 509 HB2 ARG 67 HB2 ARG 67 11.876 5.825 4.075 510 HB3 ARG 67 HB3 ARG 67 12.871 4.735 3.108 511 HG2 ARG 67 HG2 ARG 67 11.280 4.991 1.218 512 HG3 ARG 67 HG3 ARG 67 10.346 6.135 2.183 513 HD2 ARG 67 HD2 ARG 67 12.420 7.539 2.399 514 HD3 ARG 67 HD3 ARG 67 13.215 6.451 1.267 515 HE ARG 67 HE ARG 67 10.792 7.359 0.129 516 HH11 ARG 67 HH11 ARG 67 13.938 8.449 1.067 517 HH12 ARG 67 HH12 ARG 67 14.018 9.691 -0.137 518 HH21 ARG 67 HH21 ARG 67 10.888 8.985 -1.452 519 HH22 ARG 67 HH22 ARG 67 12.291 9.995 -1.563 520 H ALA 68 H ALA 68 10.822 4.584 6.122 521 HA ALA 68 HA ALA 68 12.952 3.064 7.190 522 HB1 ALA 68 HB1 ALA 68 11.894 3.577 9.393 523 HB2 ALA 68 HB2 ALA 68 10.516 4.259 8.530 524 HB3 ALA 68 HB3 ALA 68 12.109 5.001 8.375 525 H ALA 69 H ALA 69 9.511 2.412 6.806 526 HA ALA 69 HA ALA 69 9.405 0.060 8.379 527 HB1 ALA 69 HB1 ALA 69 7.468 1.476 7.416 528 HB2 ALA 69 HB2 ALA 69 7.266 -0.275 7.460 529 HB3 ALA 69 HB3 ALA 69 7.692 0.526 5.947 530 H HIS 70 H HIS 70 10.318 0.683 5.044 531 HA HIS 70 HA HIS 70 10.661 -2.193 4.553 532 HB2 HIS 70 HB2 HIS 70 10.866 0.178 2.682 533 HB3 HIS 70 HB3 HIS 70 11.047 -1.511 2.207 534 HD1 HIS 70 HD1 HIS 70 8.501 1.054 3.067 535 HD2 HIS 70 HD2 HIS 70 8.607 -3.063 2.423 536 HE1 HIS 70 HE1 HIS 70 6.095 0.309 2.799 537 H GLN 71 H GLN 71 12.442 0.547 5.495 538 HA GLN 71 HA GLN 71 14.935 0.110 4.289 539 HB2 GLN 71 HB2 GLN 71 14.326 2.130 5.616 540 HB3 GLN 71 HB3 GLN 71 14.430 1.158 7.083 541 HG2 GLN 71 HG2 GLN 71 16.786 0.654 6.601 542 HG3 GLN 71 HG3 GLN 71 16.688 1.581 5.104 543 HE21 GLN 71 HE21 GLN 71 18.596 2.476 6.852 544 HE22 GLN 71 HE22 GLN 71 18.088 3.892 7.638 545 H ASP 72 H ASP 72 13.509 -1.288 7.217 546 HA ASP 72 HA ASP 72 15.756 -2.612 8.215 547 HB2 ASP 72 HB2 ASP 72 12.832 -3.383 8.291 548 HB3 ASP 72 HB3 ASP 72 14.088 -4.210 9.211 549 H LEU 73 H LEU 73 13.460 -3.583 5.708 550 HA LEU 73 HA LEU 73 14.394 -6.225 5.356 551 HB2 LEU 73 HB2 LEU 73 13.121 -4.371 3.329 552 HB3 LEU 73 HB3 LEU 73 13.257 -6.125 3.185 553 HG LEU 73 HG LEU 73 11.788 -4.669 5.405 554 HD11 LEU 73 HD11 LEU 73 9.989 -4.657 4.053 555 HD12 LEU 73 HD12 LEU 73 10.159 -6.390 3.772 556 HD13 LEU 73 HD13 LEU 73 11.005 -5.242 2.735 557 HD21 LEU 73 HD21 LEU 73 12.263 -6.670 6.425 558 HD22 LEU 73 HD22 LEU 73 12.556 -7.497 4.895 559 HD23 LEU 73 HD23 LEU 73 10.904 -7.232 5.450 560 H VAL 74 H VAL 74 15.437 -3.133 4.008 561 HA VAL 74 HA VAL 74 17.142 -4.132 1.996 562 HB VAL 74 HB VAL 74 17.296 -1.571 3.602 563 HG11 VAL 74 HG11 VAL 74 19.430 -1.709 2.678 564 HG12 VAL 74 HG12 VAL 74 18.547 -0.904 1.381 565 HG13 VAL 74 HG13 VAL 74 18.877 -2.635 1.282 566 HG21 VAL 74 HG21 VAL 74 15.305 -2.308 1.956 567 HG22 VAL 74 HG22 VAL 74 16.443 -1.717 0.746 568 HG23 VAL 74 HG23 VAL 74 15.887 -0.645 2.030 569 H GLU 75 H GLU 75 17.859 -3.155 5.355 570 HA GLU 75 HA GLU 75 20.609 -3.890 5.225 571 HB2 GLU 75 HB2 GLU 75 18.702 -3.192 7.424 572 HB3 GLU 75 HB3 GLU 75 20.262 -3.907 7.829 573 HG2 GLU 75 HG2 GLU 75 20.468 -1.477 7.834 574 HG3 GLU 75 HG3 GLU 75 21.386 -2.136 6.483 575 H ASN 76 H ASN 76 17.671 -5.576 6.212 576 HA ASN 76 HA ASN 76 19.097 -7.878 7.212 577 HB2 ASN 76 HB2 ASN 76 16.171 -7.519 6.523 578 HB3 ASN 76 HB3 ASN 76 16.858 -8.884 7.399 579 HD21 ASN 76 HD21 ASN 76 14.900 -6.731 8.317 580 HD22 ASN 76 HD22 ASN 76 15.618 -6.075 9.709 581 H ALA 77 H ALA 77 16.823 -7.458 4.491 582 HA ALA 77 HA ALA 77 18.232 -9.648 3.091 583 HB1 ALA 77 HB1 ALA 77 15.881 -10.142 3.595 584 HB2 ALA 77 HB2 ALA 77 16.134 -9.992 1.856 585 HB3 ALA 77 HB3 ALA 77 15.387 -8.672 2.755 586 H GLY 78 H GLY 78 18.301 -9.469 0.716 587 HA2 GLY 78 HA2 GLY 78 19.018 -6.744 -0.072 588 HA3 GLY 78 HA3 GLY 78 19.372 -8.219 -0.969 589 H LEU 79 H LEU 79 17.476 -5.485 -0.924 590 HA LEU 79 HA LEU 79 15.224 -6.731 -2.346 591 HB2 LEU 79 HB2 LEU 79 14.757 -5.097 -0.516 592 HB3 LEU 79 HB3 LEU 79 15.564 -3.854 -1.472 593 HG LEU 79 HG LEU 79 13.951 -4.315 -3.337 594 HD11 LEU 79 HD11 LEU 79 11.787 -5.491 -2.246 595 HD12 LEU 79 HD12 LEU 79 13.044 -6.336 -1.345 596 HD13 LEU 79 HD13 LEU 79 13.024 -6.406 -3.106 597 HD21 LEU 79 HD21 LEU 79 13.432 -2.428 -1.986 598 HD22 LEU 79 HD22 LEU 79 12.957 -3.438 -0.621 599 HD23 LEU 79 HD23 LEU 79 11.932 -3.355 -2.053 600 H THR 80 H THR 80 14.966 -6.567 -4.483 601 HA THR 80 HA THR 80 16.727 -4.707 -5.964 602 HB THR 80 HB THR 80 16.689 -6.433 -7.796 603 HG1 THR 80 HG1 THR 80 16.237 -8.599 -6.671 604 HG21 THR 80 HG21 THR 80 17.851 -7.271 -5.125 605 HG22 THR 80 HG22 THR 80 18.620 -6.200 -6.296 606 HG23 THR 80 HG23 THR 80 18.352 -7.897 -6.695 607 H ASP 81 H ASP 81 15.899 -4.079 -8.096 608 HA ASP 81 HA ASP 81 13.293 -3.047 -7.978 609 HB2 ASP 81 HB2 ASP 81 15.110 -3.516 -10.349 610 HB3 ASP 81 HB3 ASP 81 13.611 -2.591 -10.419 611 H VAL 82 H VAL 82 14.549 -6.013 -9.434 612 HA VAL 82 HA VAL 82 12.331 -6.765 -10.951 613 HB VAL 82 HB VAL 82 14.675 -7.878 -10.706 614 HG11 VAL 82 HG11 VAL 82 14.857 -9.658 -9.153 615 HG12 VAL 82 HG12 VAL 82 13.131 -9.631 -8.792 616 HG13 VAL 82 HG13 VAL 82 14.171 -8.330 -8.220 617 HG21 VAL 82 HG21 VAL 82 12.011 -9.105 -11.268 618 HG22 VAL 82 HG22 VAL 82 13.395 -10.192 -11.159 619 HG23 VAL 82 HG23 VAL 82 13.395 -8.883 -12.339 620 H HIS 83 H HIS 83 12.947 -7.120 -7.488 621 HA HIS 83 HA HIS 83 10.854 -8.857 -6.834 622 HB2 HIS 83 HB2 HIS 83 12.104 -6.608 -5.246 623 HB3 HIS 83 HB3 HIS 83 10.955 -7.763 -4.570 624 HD2 HIS 83 HD2 HIS 83 11.982 -10.609 -5.247 625 HE1 HIS 83 HE1 HIS 83 15.940 -9.316 -4.548 626 HE2 HIS 83 HE2 HIS 83 14.443 -11.353 -4.794 627 H PHE 84 H PHE 84 10.879 -5.310 -7.088 628 HA PHE 84 HA PHE 84 8.219 -4.883 -6.259 629 HB2 PHE 84 HB2 PHE 84 9.927 -3.092 -6.477 630 HB3 PHE 84 HB3 PHE 84 9.833 -3.247 -8.232 631 HD1 PHE 84 HD1 PHE 84 7.900 -2.379 -5.179 632 HD2 PHE 84 HD2 PHE 84 8.019 -2.308 -9.473 633 HE1 PHE 84 HE1 PHE 84 5.927 -0.875 -5.210 634 HE2 PHE 84 HE2 PHE 84 6.046 -0.806 -9.502 635 HZ PHE 84 HZ PHE 84 5.001 -0.089 -7.371 636 H ASP 85 H ASP 85 9.612 -5.317 -9.506 637 HA ASP 85 HA ASP 85 7.174 -5.078 -10.921 638 HB2 ASP 85 HB2 ASP 85 9.478 -4.942 -11.920 639 HB3 ASP 85 HB3 ASP 85 9.589 -6.693 -11.754 640 H ALA 86 H ALA 86 8.758 -7.777 -9.328 641 HA ALA 86 HA ALA 86 7.285 -9.892 -10.455 642 HB1 ALA 86 HB1 ALA 86 8.529 -11.141 -9.062 643 HB2 ALA 86 HB2 ALA 86 7.915 -10.297 -7.641 644 HB3 ALA 86 HB3 ALA 86 9.281 -9.634 -8.538 645 H ILE 87 H ILE 87 6.794 -8.434 -7.220 646 HA ILE 87 HA ILE 87 4.292 -9.657 -6.781 647 HB ILE 87 HB ILE 87 5.813 -8.566 -5.055 648 HG12 ILE 87 HG12 ILE 87 2.939 -7.618 -4.946 649 HG13 ILE 87 HG13 ILE 87 3.390 -9.307 -4.711 650 HG21 ILE 87 HG21 ILE 87 5.643 -6.210 -4.697 651 HG22 ILE 87 HG22 ILE 87 4.330 -6.058 -5.864 652 HG23 ILE 87 HG23 ILE 87 5.965 -6.415 -6.417 653 HD11 ILE 87 HD11 ILE 87 4.400 -6.961 -3.075 654 HD12 ILE 87 HD12 ILE 87 4.890 -8.641 -2.856 655 HD13 ILE 87 HD13 ILE 87 3.222 -8.161 -2.542 656 H ALA 88 H ALA 88 5.218 -6.710 -8.427 657 HA ALA 88 HA ALA 88 2.653 -5.498 -8.523 658 HB1 ALA 88 HB1 ALA 88 4.907 -5.216 -10.521 659 HB2 ALA 88 HB2 ALA 88 4.805 -4.322 -9.004 660 HB3 ALA 88 HB3 ALA 88 3.583 -4.084 -10.254 661 H GLU 89 H GLU 89 4.339 -7.772 -10.647 662 HA GLU 89 HA GLU 89 2.486 -7.753 -12.774 663 HB2 GLU 89 HB2 GLU 89 4.763 -8.757 -12.883 664 HB3 GLU 89 HB3 GLU 89 4.202 -10.067 -11.843 665 HG2 GLU 89 HG2 GLU 89 2.433 -10.594 -13.521 666 HG3 GLU 89 HG3 GLU 89 3.101 -9.349 -14.576 667 H ASN 90 H ASN 90 2.610 -9.591 -9.759 668 HA ASN 90 HA ASN 90 0.581 -11.450 -10.300 669 HB2 ASN 90 HB2 ASN 90 1.385 -10.162 -7.682 670 HB3 ASN 90 HB3 ASN 90 0.321 -11.560 -7.824 671 HD21 ASN 90 HD21 ASN 90 2.829 -11.728 -6.444 672 HD22 ASN 90 HD22 ASN 90 3.854 -12.747 -7.334 673 H LEU 91 H LEU 91 0.429 -8.115 -9.144 674 HA LEU 91 HA LEU 91 -2.295 -8.049 -8.444 675 HB2 LEU 91 HB2 LEU 91 -0.636 -6.270 -7.894 676 HB3 LEU 91 HB3 LEU 91 -0.640 -5.789 -9.590 677 HG LEU 91 HG LEU 91 -3.118 -5.433 -9.426 678 HD11 LEU 91 HD11 LEU 91 -3.977 -6.615 -7.647 679 HD12 LEU 91 HD12 LEU 91 -3.708 -5.077 -6.828 680 HD13 LEU 91 HD13 LEU 91 -2.535 -6.381 -6.659 681 HD21 LEU 91 HD21 LEU 91 -2.320 -3.643 -7.308 682 HD22 LEU 91 HD22 LEU 91 -2.573 -3.284 -9.016 683 HD23 LEU 91 HD23 LEU 91 -0.993 -3.831 -8.453 684 H VAL 92 H VAL 92 -0.655 -7.532 -11.538 685 HA VAL 92 HA VAL 92 -2.929 -6.681 -12.995 686 HB VAL 92 HB VAL 92 -0.371 -8.030 -13.880 687 HG11 VAL 92 HG11 VAL 92 -1.910 -8.485 -15.625 688 HG12 VAL 92 HG12 VAL 92 -1.097 -7.007 -16.137 689 HG13 VAL 92 HG13 VAL 92 -2.713 -6.926 -15.436 690 HG21 VAL 92 HG21 VAL 92 -1.220 -5.169 -14.319 691 HG22 VAL 92 HG22 VAL 92 0.406 -5.850 -14.337 692 HG23 VAL 92 HG23 VAL 92 -0.452 -5.656 -12.808 693 H LEU 93 H LEU 93 -1.486 -9.880 -12.473 694 HA LEU 93 HA LEU 93 -3.213 -11.329 -14.171 695 HB2 LEU 93 HB2 LEU 93 -1.813 -12.264 -11.653 696 HB3 LEU 93 HB3 LEU 93 -2.473 -13.301 -12.918 697 HG LEU 93 HG LEU 93 -0.261 -11.256 -13.282 698 HD11 LEU 93 HD11 LEU 93 -0.070 -14.252 -13.591 699 HD12 LEU 93 HD12 LEU 93 0.208 -13.471 -12.035 700 HD13 LEU 93 HD13 LEU 93 1.238 -13.083 -13.412 701 HD21 LEU 93 HD21 LEU 93 -1.892 -12.918 -15.155 702 HD22 LEU 93 HD22 LEU 93 -0.173 -12.740 -15.508 703 HD23 LEU 93 HD23 LEU 93 -1.203 -11.312 -15.392 704 H THR 94 H THR 94 -3.494 -10.316 -10.806 705 HA THR 94 HA THR 94 -5.700 -11.874 -10.052 706 HB THR 94 HB THR 94 -5.069 -9.051 -9.158 707 HG1 THR 94 HG1 THR 94 -4.080 -11.588 -8.409 708 HG21 THR 94 HG21 THR 94 -6.104 -10.890 -7.174 709 HG22 THR 94 HG22 THR 94 -7.207 -10.768 -8.545 710 HG23 THR 94 HG23 THR 94 -6.729 -9.316 -7.664 711 H LEU 95 H LEU 95 -5.533 -8.718 -11.655 712 HA LEU 95 HA LEU 95 -8.311 -8.188 -11.669 713 HB2 LEU 95 HB2 LEU 95 -6.201 -7.275 -13.641 714 HB3 LEU 95 HB3 LEU 95 -7.790 -6.545 -13.407 715 HG LEU 95 HG LEU 95 -5.595 -6.729 -11.320 716 HD11 LEU 95 HD11 LEU 95 -5.495 -4.293 -11.556 717 HD12 LEU 95 HD12 LEU 95 -6.778 -4.337 -12.764 718 HD13 LEU 95 HD13 LEU 95 -5.208 -5.054 -13.120 719 HD21 LEU 95 HD21 LEU 95 -8.482 -5.940 -11.238 720 HD22 LEU 95 HD22 LEU 95 -7.343 -5.012 -10.263 721 HD23 LEU 95 HD23 LEU 95 -7.507 -6.750 -10.011 722 H GLN 96 H GLN 96 -6.213 -9.994 -13.850 723 HA GLN 96 HA GLN 96 -7.976 -10.283 -16.017 724 HB2 GLN 96 HB2 GLN 96 -5.868 -12.200 -14.991 725 HB3 GLN 96 HB3 GLN 96 -6.635 -12.288 -16.577 726 HG2 GLN 96 HG2 GLN 96 -5.033 -9.931 -15.541 727 HG3 GLN 96 HG3 GLN 96 -4.444 -11.134 -16.686 728 HE21 GLN 96 HE21 GLN 96 -5.339 -8.061 -16.788 729 HE22 GLN 96 HE22 GLN 96 -6.217 -8.010 -18.239 730 H GLU 97 H GLU 97 -7.662 -12.105 -13.006 731 HA GLU 97 HA GLU 97 -9.438 -14.209 -13.675 732 HB2 GLU 97 HB2 GLU 97 -8.669 -13.047 -10.987 733 HB3 GLU 97 HB3 GLU 97 -9.581 -14.542 -11.205 734 HG2 GLU 97 HG2 GLU 97 -7.708 -15.459 -12.558 735 HG3 GLU 97 HG3 GLU 97 -6.790 -13.987 -12.251 736 H LEU 98 H LEU 98 -9.916 -10.973 -12.416 737 HA LEU 98 HA LEU 98 -12.687 -11.373 -11.734 738 HB2 LEU 98 HB2 LEU 98 -11.130 -8.805 -12.126 739 HB3 LEU 98 HB3 LEU 98 -12.712 -8.954 -11.359 740 HG LEU 98 HG LEU 98 -10.158 -10.271 -10.387 741 HD11 LEU 98 HD11 LEU 98 -11.255 -8.543 -8.449 742 HD12 LEU 98 HD12 LEU 98 -11.301 -7.643 -9.966 743 HD13 LEU 98 HD13 LEU 98 -9.773 -8.295 -9.374 744 HD21 LEU 98 HD21 LEU 98 -13.039 -10.495 -9.654 745 HD22 LEU 98 HD22 LEU 98 -11.882 -10.441 -8.324 746 HD23 LEU 98 HD23 LEU 98 -11.757 -11.702 -9.550 747 H ASN 99 H ASN 99 -11.108 -11.191 -14.640 748 HA ASN 99 HA ASN 99 -11.809 -10.875 -16.803 749 HB2 ASN 99 HB2 ASN 99 -13.768 -12.234 -15.828 750 HB3 ASN 99 HB3 ASN 99 -14.629 -10.697 -15.767 751 HD21 ASN 99 HD21 ASN 99 -15.800 -12.455 -17.451 752 HD22 ASN 99 HD22 ASN 99 -15.434 -12.119 -19.075 753 H VAL 100 H VAL 100 -10.865 -8.641 -15.644 754 HA VAL 100 HA VAL 100 -12.799 -6.490 -16.172 755 HB VAL 100 HB VAL 100 -10.054 -6.424 -14.898 756 HG11 VAL 100 HG11 VAL 100 -10.479 -4.318 -16.002 757 HG12 VAL 100 HG12 VAL 100 -10.774 -4.086 -14.279 758 HG13 VAL 100 HG13 VAL 100 -12.132 -4.274 -15.389 759 HG21 VAL 100 HG21 VAL 100 -12.630 -5.753 -13.518 760 HG22 VAL 100 HG22 VAL 100 -11.132 -6.389 -12.839 761 HG23 VAL 100 HG23 VAL 100 -12.211 -7.452 -13.742 762 H SER 101 H SER 101 -12.535 -5.021 -17.790 763 HA SER 101 HA SER 101 -11.172 -5.715 -20.118 764 HB2 SER 101 HB2 SER 101 -13.041 -4.054 -19.944 765 HB3 SER 101 HB3 SER 101 -11.894 -2.906 -19.259 766 HG SER 101 HG SER 101 -10.908 -2.738 -21.158 767 H GLN 102 H GLN 102 -9.202 -5.251 -20.968 768 HA GLN 102 HA GLN 102 -7.014 -4.817 -19.271 769 HB2 GLN 102 HB2 GLN 102 -6.939 -5.894 -21.538 770 HB3 GLN 102 HB3 GLN 102 -7.091 -4.287 -22.246 771 HG2 GLN 102 HG2 GLN 102 -4.747 -4.752 -22.175 772 HG3 GLN 102 HG3 GLN 102 -5.059 -3.623 -20.858 773 HE21 GLN 102 HE21 GLN 102 -4.035 -4.238 -18.958 774 HE22 GLN 102 HE22 GLN 102 -3.737 -5.840 -18.485 775 H ASP 103 H ASP 103 -8.932 -2.568 -21.195 776 HA ASP 103 HA ASP 103 -7.282 -0.323 -21.121 777 HB2 ASP 103 HB2 ASP 103 -10.299 -0.521 -21.012 778 HB3 ASP 103 HB3 ASP 103 -9.419 0.985 -21.264 779 H LEU 104 H LEU 104 -9.651 -1.460 -18.727 780 HA LEU 104 HA LEU 104 -9.295 0.728 -16.938 781 HB2 LEU 104 HB2 LEU 104 -10.284 -2.078 -16.377 782 HB3 LEU 104 HB3 LEU 104 -10.481 -0.684 -15.316 783 HG LEU 104 HG LEU 104 -11.588 -0.930 -18.130 784 HD11 LEU 104 HD11 LEU 104 -13.616 -0.499 -16.215 785 HD12 LEU 104 HD12 LEU 104 -12.579 -1.756 -15.541 786 HD13 LEU 104 HD13 LEU 104 -13.314 -1.976 -17.129 787 HD21 LEU 104 HD21 LEU 104 -11.386 1.301 -16.151 788 HD22 LEU 104 HD22 LEU 104 -12.875 1.171 -17.086 789 HD23 LEU 104 HD23 LEU 104 -11.330 1.358 -17.913 790 H ILE 105 H ILE 105 -7.787 -2.444 -17.272 791 HA ILE 105 HA ILE 105 -6.336 -2.456 -14.856 792 HB ILE 105 HB ILE 105 -5.637 -3.721 -17.517 793 HG12 ILE 105 HG12 ILE 105 -7.032 -4.873 -15.080 794 HG13 ILE 105 HG13 ILE 105 -7.862 -4.351 -16.547 795 HG21 ILE 105 HG21 ILE 105 -4.241 -3.576 -14.983 796 HG22 ILE 105 HG22 ILE 105 -3.721 -4.321 -16.495 797 HG23 ILE 105 HG23 ILE 105 -4.689 -5.244 -15.344 798 HD11 ILE 105 HD11 ILE 105 -7.384 -6.300 -17.562 799 HD12 ILE 105 HD12 ILE 105 -6.681 -6.875 -16.050 800 HD13 ILE 105 HD13 ILE 105 -5.662 -6.077 -17.248 801 H ASP 106 H ASP 106 -5.602 -1.121 -18.046 802 HA ASP 106 HA ASP 106 -2.911 -0.464 -17.633 803 HB2 ASP 106 HB2 ASP 106 -5.030 0.904 -19.302 804 HB3 ASP 106 HB3 ASP 106 -3.314 1.298 -19.374 805 H GLU 107 H GLU 107 -5.875 1.295 -16.819 806 HA GLU 107 HA GLU 107 -4.667 3.704 -15.989 807 HB2 GLU 107 HB2 GLU 107 -7.107 3.404 -16.396 808 HB3 GLU 107 HB3 GLU 107 -7.204 2.451 -14.914 809 HG2 GLU 107 HG2 GLU 107 -6.292 4.396 -13.646 810 HG3 GLU 107 HG3 GLU 107 -6.326 5.344 -15.132 811 H VAL 108 H VAL 108 -5.325 0.678 -14.290 812 HA VAL 108 HA VAL 108 -4.669 1.573 -11.688 813 HB VAL 108 HB VAL 108 -4.567 -1.179 -12.937 814 HG11 VAL 108 HG11 VAL 108 -3.850 -0.174 -10.223 815 HG12 VAL 108 HG12 VAL 108 -3.221 -1.563 -11.110 816 HG13 VAL 108 HG13 VAL 108 -4.787 -1.666 -10.305 817 HG21 VAL 108 HG21 VAL 108 -6.525 -0.408 -10.842 818 HG22 VAL 108 HG22 VAL 108 -6.754 -1.393 -12.288 819 HG23 VAL 108 HG23 VAL 108 -6.736 0.366 -12.413 820 H VAL 109 H VAL 109 -2.734 0.189 -14.303 821 HA VAL 109 HA VAL 109 -0.337 -0.164 -12.876 822 HB VAL 109 HB VAL 109 -0.837 0.427 -15.799 823 HG11 VAL 109 HG11 VAL 109 1.560 -0.774 -15.794 824 HG12 VAL 109 HG12 VAL 109 1.669 0.031 -14.227 825 HG13 VAL 109 HG13 VAL 109 1.399 0.980 -15.690 826 HG21 VAL 109 HG21 VAL 109 -1.457 -1.800 -14.329 827 HG22 VAL 109 HG22 VAL 109 0.176 -2.190 -14.868 828 HG23 VAL 109 HG23 VAL 109 -1.079 -1.828 -16.052 829 H THR 110 H THR 110 -1.641 2.638 -14.610 830 HA THR 110 HA THR 110 0.622 4.301 -14.421 831 HB THR 110 HB THR 110 -2.282 5.152 -14.405 832 HG1 THR 110 HG1 THR 110 -2.041 3.927 -16.180 833 HG21 THR 110 HG21 THR 110 -0.407 6.790 -15.884 834 HG22 THR 110 HG22 THR 110 0.101 6.628 -14.203 835 HG23 THR 110 HG23 THR 110 -1.504 7.255 -14.584 836 H ILE 111 H ILE 111 -2.140 3.867 -12.219 837 HA ILE 111 HA ILE 111 -1.503 5.891 -10.386 838 HB ILE 111 HB ILE 111 -2.865 3.229 -9.927 839 HG12 ILE 111 HG12 ILE 111 -4.007 6.015 -10.307 840 HG13 ILE 111 HG13 ILE 111 -3.904 4.808 -11.589 841 HG21 ILE 111 HG21 ILE 111 -2.578 3.786 -7.740 842 HG22 ILE 111 HG22 ILE 111 -3.834 4.985 -8.052 843 HG23 ILE 111 HG23 ILE 111 -2.134 5.449 -8.127 844 HD11 ILE 111 HD11 ILE 111 -6.123 5.000 -10.222 845 HD12 ILE 111 HD12 ILE 111 -5.235 4.125 -8.977 846 HD13 ILE 111 HD13 ILE 111 -5.473 3.398 -10.565 847 H VAL 112 H VAL 112 -0.666 2.427 -10.273 848 HA VAL 112 HA VAL 112 1.062 2.780 -7.992 849 HB VAL 112 HB VAL 112 1.581 0.413 -8.295 850 HG11 VAL 112 HG11 VAL 112 -1.050 -0.235 -8.715 851 HG12 VAL 112 HG12 VAL 112 -1.176 1.471 -8.281 852 HG13 VAL 112 HG13 VAL 112 -0.402 0.334 -7.177 853 HG21 VAL 112 HG21 VAL 112 0.271 0.906 -10.962 854 HG22 VAL 112 HG22 VAL 112 0.298 -0.712 -10.264 855 HG23 VAL 112 HG23 VAL 112 1.812 0.121 -10.622 856 H GLY 113 H GLY 113 1.372 2.970 -11.419 857 HA2 GLY 113 HA2 GLY 113 4.115 2.371 -11.719 858 HA3 GLY 113 HA3 GLY 113 3.160 3.370 -12.810 859 H SER 114 H SER 114 2.889 4.596 -9.723 860 HA SER 114 HA SER 114 4.174 7.017 -10.285 861 HB2 SER 114 HB2 SER 114 3.631 5.780 -7.575 862 HB3 SER 114 HB3 SER 114 3.977 7.480 -7.880 863 HG SER 114 HG SER 114 2.102 7.309 -9.382 864 H VAL 115 H VAL 115 6.246 7.587 -10.343 865 HA VAL 115 HA VAL 115 8.335 5.720 -9.820 866 HB VAL 115 HB VAL 115 8.388 8.695 -10.359 867 HG11 VAL 115 HG11 VAL 115 10.606 6.655 -10.080 868 HG12 VAL 115 HG12 VAL 115 10.421 8.172 -9.199 869 HG13 VAL 115 HG13 VAL 115 10.823 8.192 -10.916 870 HG21 VAL 115 HG21 VAL 115 9.045 6.301 -12.105 871 HG22 VAL 115 HG22 VAL 115 9.058 7.993 -12.604 872 HG23 VAL 115 HG23 VAL 115 7.535 7.210 -12.179 873 H GLN 116 H GLN 116 7.019 8.490 -8.059 874 HA GLN 116 HA GLN 116 8.966 8.755 -6.077 875 HB2 GLN 116 HB2 GLN 116 7.019 10.291 -6.449 876 HB3 GLN 116 HB3 GLN 116 5.982 9.082 -5.691 877 HG2 GLN 116 HG2 GLN 116 7.465 9.177 -3.664 878 HG3 GLN 116 HG3 GLN 116 8.325 10.519 -4.418 879 HE21 GLN 116 HE21 GLN 116 7.597 12.462 -3.549 880 HE22 GLN 116 HE22 GLN 116 5.982 12.810 -3.161 881 H HIS 117 H HIS 117 6.108 6.647 -6.173 882 HA HIS 117 HA HIS 117 6.483 5.536 -3.591 883 HB2 HIS 117 HB2 HIS 117 4.358 5.451 -4.920 884 HB3 HIS 117 HB3 HIS 117 5.114 4.239 -5.954 885 HD1 HIS 117 HD1 HIS 117 5.489 4.483 -2.191 886 HD2 HIS 117 HD2 HIS 117 3.756 1.970 -5.029 887 HE1 HIS 117 HE1 HIS 117 4.697 2.436 -0.938 888 H ARG 118 H ARG 118 7.483 4.491 -6.834 889 HA ARG 118 HA ARG 118 8.594 2.014 -6.156 890 HB2 ARG 118 HB2 ARG 118 8.241 2.814 -8.479 891 HB3 ARG 118 HB3 ARG 118 9.572 3.952 -8.267 892 HG2 ARG 118 HG2 ARG 118 11.093 2.048 -7.777 893 HG3 ARG 118 HG3 ARG 118 9.761 0.931 -8.076 894 HD2 ARG 118 HD2 ARG 118 9.540 1.879 -10.376 895 HD3 ARG 118 HD3 ARG 118 10.954 2.881 -10.067 896 HE ARG 118 HE ARG 118 12.298 0.984 -10.295 897 HH11 ARG 118 HH11 ARG 118 8.941 0.169 -10.092 898 HH12 ARG 118 HH12 ARG 118 9.175 -1.489 -10.534 899 HH21 ARG 118 HH21 ARG 118 12.613 -1.190 -10.875 900 HH22 ARG 118 HH22 ARG 118 11.254 -2.258 -10.977 901 H ASN 119 H ASN 119 10.047 5.255 -6.164 902 HA ASN 119 HA ASN 119 12.664 4.448 -5.458 903 HB2 ASN 119 HB2 ASN 119 11.217 7.062 -4.985 904 HB3 ASN 119 HB3 ASN 119 12.948 6.818 -4.748 905 HD21 ASN 119 HD21 ASN 119 11.923 8.682 -6.692 906 HD22 ASN 119 HD22 ASN 119 12.333 8.105 -8.234 907 H ASP 120 H ASP 120 9.816 5.270 -3.543 908 HA ASP 120 HA ASP 120 11.023 5.412 -1.014 909 HB2 ASP 120 HB2 ASP 120 8.244 4.538 -1.824 910 HB3 ASP 120 HB3 ASP 120 8.741 4.807 -0.155 911 H VAL 121 H VAL 121 9.821 2.647 -2.863 912 HA VAL 121 HA VAL 121 10.062 0.703 -0.831 913 HB VAL 121 HB VAL 121 10.235 0.456 -3.841 914 HG11 VAL 121 HG11 VAL 121 9.395 -1.972 -2.836 915 HG12 VAL 121 HG12 VAL 121 10.634 -1.491 -1.677 916 HG13 VAL 121 HG13 VAL 121 11.032 -1.618 -3.390 917 HG21 VAL 121 HG21 VAL 121 7.913 -0.241 -3.664 918 HG22 VAL 121 HG22 VAL 121 8.092 1.308 -2.838 919 HG23 VAL 121 HG23 VAL 121 7.991 -0.185 -1.903 920 H LEU 122 H LEU 122 12.339 1.856 -3.287 921 HA LEU 122 HA LEU 122 14.433 0.070 -2.341 922 HB2 LEU 122 HB2 LEU 122 14.524 2.276 -4.415 923 HB3 LEU 122 HB3 LEU 122 15.771 1.063 -4.138 924 HG LEU 122 HG LEU 122 12.929 0.273 -4.787 925 HD11 LEU 122 HD11 LEU 122 13.800 1.785 -6.573 926 HD12 LEU 122 HD12 LEU 122 13.576 0.132 -7.142 927 HD13 LEU 122 HD13 LEU 122 15.193 0.719 -6.757 928 HD21 LEU 122 HD21 LEU 122 13.777 -1.825 -4.742 929 HD22 LEU 122 HD22 LEU 122 15.253 -1.141 -4.066 930 HD23 LEU 122 HD23 LEU 122 15.104 -1.366 -5.805 931 H ASN 123 H ASN 123 13.188 3.029 -1.413 932 HA ASN 123 HA ASN 123 13.905 4.682 0.003 933 HB2 ASN 123 HB2 ASN 123 16.087 2.687 0.654 934 HB3 ASN 123 HB3 ASN 123 15.673 4.110 1.608 935 HD21 ASN 123 HD21 ASN 123 15.492 1.569 2.819 936 HD22 ASN 123 HD22 ASN 123 13.858 1.182 3.063 937 H ARG 124 H ARG 124 14.628 5.021 -2.633 938 HA ARG 124 HA ARG 124 17.216 6.408 -2.343 939 HB2 ARG 124 HB2 ARG 124 16.338 4.719 -4.696 940 HB3 ARG 124 HB3 ARG 124 17.743 5.785 -4.702 941 HG2 ARG 124 HG2 ARG 124 18.640 4.528 -2.731 942 HG3 ARG 124 HG3 ARG 124 17.291 3.404 -2.883 943 HD2 ARG 124 HD2 ARG 124 19.419 3.952 -4.966 944 HD3 ARG 124 HD3 ARG 124 19.231 2.475 -4.025 945 HE ARG 124 HE ARG 124 16.819 2.796 -5.318 946 HH11 ARG 124 HH11 ARG 124 20.157 2.598 -6.207 947 HH12 ARG 124 HH12 ARG 124 19.846 1.886 -7.754 948 HH21 ARG 124 HH21 ARG 124 16.403 1.862 -7.346 949 HH22 ARG 124 HH22 ARG 124 17.720 1.469 -8.399 950 HHA HEB 125 HHA HEB 125 4.314 -2.273 6.807 951 HHB HEB 125 HHB HEB 125 2.020 1.571 2.328 952 HHC HEB 125 HHC HEB 125 5.051 -1.821 -2.090 953 HHD HEB 125 HHD HEB 125 7.295 -5.656 2.364 954 HMA1 HEB 125 HMA1 HEB 125 0.532 1.528 4.908 955 HMA2 HEB 125 HMA2 HEB 125 1.820 2.577 4.324 956 HMA3 HEB 125 HMA3 HEB 125 1.713 2.189 6.036 957 HAA1 HEB 125 HAA1 HEB 125 2.566 -1.121 7.646 958 HAA2 HEB 125 HAA2 HEB 125 1.770 0.424 7.424 959 HBA1 HEB 125 HBA1 HEB 125 4.007 1.540 7.544 960 HBA2 HEB 125 HBA2 HEB 125 4.723 -0.027 7.910 961 HMB1 HEB 125 HMB1 HEB 125 0.956 1.849 -0.092 962 HMB2 HEB 125 HMB2 HEB 125 2.046 2.393 -1.369 963 HMB3 HEB 125 HMB3 HEB 125 2.332 2.881 0.301 964 HAB2 HEB 125 HAB2 HEB 125 3.949 -0.318 -3.095 965 HBB1 HEB 125 HBB1 HEB 125 1.285 0.416 -2.253 966 HBB2 HEB 125 HBB2 HEB 125 1.816 -0.390 -3.729 967 HBB3 HEB 125 HBB3 HEB 125 1.808 1.369 -3.642 968 HMC1 HEB 125 HMC1 HEB 125 7.180 -4.867 -2.743 969 HMC2 HEB 125 HMC2 HEB 125 7.210 -3.106 -2.854 970 HMC3 HEB 125 HMC3 HEB 125 5.688 -3.977 -3.039 971 HAC HEB 125 HAC HEB 125 8.763 -5.700 -0.130 972 HBC1 HEB 125 HBC1 HEB 125 6.114 -7.110 -0.878 973 HBC2 HEB 125 HBC2 HEB 125 7.817 -7.853 -0.862 974 HMD1 HEB 125 HMD1 HEB 125 7.181 -6.872 4.250 975 HMD2 HEB 125 HMD2 HEB 125 7.031 -6.659 5.990 976 HMD3 HEB 125 HMD3 HEB 125 8.365 -5.902 5.123 977 HAD1 HEB 125 HAD1 HEB 125 5.915 -3.528 7.782 978 HAD2 HEB 125 HAD2 HEB 125 6.736 -5.054 7.524 979 HBD1 HEB 125 HBD1 HEB 125 4.842 -6.276 7.832 980 HBD2 HEB 125 HBD2 HEB 125 3.824 -5.095 7.012 Start of MODEL 4 1 H1 ALA 2 H1 ALA 2 -16.097 10.489 1.916 2 H2 ALA 2 H2 ALA 2 -15.405 9.411 3.033 3 H3 ALA 2 H3 ALA 2 -16.536 8.851 1.895 4 HA ALA 2 HA ALA 2 -15.062 9.060 0.118 5 HB1 ALA 2 HB1 ALA 2 -13.088 10.446 1.939 6 HB2 ALA 2 HB2 ALA 2 -14.278 11.346 0.998 7 HB3 ALA 2 HB3 ALA 2 -13.070 10.357 0.178 8 H SER 3 H SER 3 -15.504 6.848 1.242 9 HA SER 3 HA SER 3 -12.925 5.794 2.242 10 HB2 SER 3 HB2 SER 3 -15.714 4.808 2.880 11 HB3 SER 3 HB3 SER 3 -14.213 4.098 3.465 12 HG SER 3 HG SER 3 -13.877 5.816 4.729 13 H LEU 4 H LEU 4 -12.193 3.853 1.410 14 HA LEU 4 HA LEU 4 -12.805 3.255 -1.267 15 HB2 LEU 4 HB2 LEU 4 -10.657 2.693 -0.144 16 HB3 LEU 4 HB3 LEU 4 -11.495 1.445 0.775 17 HG LEU 4 HG LEU 4 -12.197 0.393 -1.391 18 HD11 LEU 4 HD11 LEU 4 -10.865 2.817 -2.405 19 HD12 LEU 4 HD12 LEU 4 -12.066 1.784 -3.181 20 HD13 LEU 4 HD13 LEU 4 -10.361 1.334 -3.214 21 HD21 LEU 4 HD21 LEU 4 -9.513 0.550 -0.258 22 HD22 LEU 4 HD22 LEU 4 -9.478 0.125 -1.968 23 HD23 LEU 4 HD23 LEU 4 -10.401 -0.861 -0.834 24 H TYR 5 H TYR 5 -13.958 1.861 1.763 25 HA TYR 5 HA TYR 5 -15.256 -0.403 0.710 26 HB2 TYR 5 HB2 TYR 5 -16.016 1.251 3.130 27 HB3 TYR 5 HB3 TYR 5 -16.548 -0.397 2.794 28 HD1 TYR 5 HD1 TYR 5 -14.468 -2.024 2.125 29 HD2 TYR 5 HD2 TYR 5 -14.243 1.469 4.613 30 HE1 TYR 5 HE1 TYR 5 -12.405 -2.909 3.180 31 HE2 TYR 5 HE2 TYR 5 -12.179 0.586 5.666 32 HH TYR 5 HH TYR 5 -11.050 -1.511 6.016 33 H GLU 6 H GLU 6 -16.306 2.948 1.073 34 HA GLU 6 HA GLU 6 -19.035 2.585 0.500 35 HB2 GLU 6 HB2 GLU 6 -18.041 4.675 1.411 36 HB3 GLU 6 HB3 GLU 6 -17.322 4.987 -0.169 37 HG2 GLU 6 HG2 GLU 6 -19.601 4.927 -1.179 38 HG3 GLU 6 HG3 GLU 6 -20.282 4.732 0.435 39 H LYS 7 H LYS 7 -16.231 2.943 -1.610 40 HA LYS 7 HA LYS 7 -17.573 3.404 -4.030 41 HB2 LYS 7 HB2 LYS 7 -15.107 3.605 -3.678 42 HB3 LYS 7 HB3 LYS 7 -15.007 1.846 -3.633 43 HG2 LYS 7 HG2 LYS 7 -14.499 2.355 -5.875 44 HG3 LYS 7 HG3 LYS 7 -16.208 1.935 -5.940 45 HD2 LYS 7 HD2 LYS 7 -16.858 4.253 -5.991 46 HD3 LYS 7 HD3 LYS 7 -15.214 4.779 -5.633 47 HE2 LYS 7 HE2 LYS 7 -15.271 3.051 -7.966 48 HE3 LYS 7 HE3 LYS 7 -16.341 4.436 -8.177 49 HZ1 LYS 7 HZ1 LYS 7 -13.698 4.492 -8.594 50 HZ2 LYS 7 HZ2 LYS 7 -13.777 5.047 -6.990 51 HZ3 LYS 7 HZ3 LYS 7 -14.630 5.857 -8.216 52 H LEU 8 H LEU 8 -16.472 0.316 -2.609 53 HA LEU 8 HA LEU 8 -17.661 -1.277 -4.664 54 HB2 LEU 8 HB2 LEU 8 -16.803 -2.067 -1.868 55 HB3 LEU 8 HB3 LEU 8 -17.148 -3.174 -3.197 56 HG LEU 8 HG LEU 8 -14.956 -1.076 -3.144 57 HD11 LEU 8 HD11 LEU 8 -14.315 -3.919 -3.585 58 HD12 LEU 8 HD12 LEU 8 -14.969 -3.568 -1.985 59 HD13 LEU 8 HD13 LEU 8 -13.521 -2.733 -2.549 60 HD21 LEU 8 HD21 LEU 8 -15.480 -1.174 -5.405 61 HD22 LEU 8 HD22 LEU 8 -16.093 -2.824 -5.298 62 HD23 LEU 8 HD23 LEU 8 -14.355 -2.527 -5.288 63 H GLY 9 H GLY 9 -18.701 -0.158 -1.491 64 HA2 GLY 9 HA2 GLY 9 -20.940 0.179 -0.847 65 HA3 GLY 9 HA3 GLY 9 -21.456 -0.851 -2.178 66 H GLY 10 H GLY 10 -18.915 -2.336 -0.607 67 HA2 GLY 10 HA2 GLY 10 -20.358 -3.512 1.596 68 HA3 GLY 10 HA3 GLY 10 -20.200 -4.598 0.219 69 H ALA 11 H ALA 11 -18.749 -3.516 3.039 70 HA ALA 11 HA ALA 11 -15.996 -3.694 2.400 71 HB1 ALA 11 HB1 ALA 11 -16.731 -2.624 4.451 72 HB2 ALA 11 HB2 ALA 11 -15.694 -3.993 4.854 73 HB3 ALA 11 HB3 ALA 11 -17.445 -4.133 5.020 74 H ALA 12 H ALA 12 -18.411 -6.096 3.265 75 HA ALA 12 HA ALA 12 -16.681 -8.235 3.875 76 HB1 ALA 12 HB1 ALA 12 -18.611 -9.336 4.190 77 HB2 ALA 12 HB2 ALA 12 -19.103 -9.086 2.516 78 HB3 ALA 12 HB3 ALA 12 -19.438 -7.849 3.727 79 H ALA 13 H ALA 13 -17.866 -6.964 0.821 80 HA ALA 13 HA ALA 13 -17.125 -9.129 -0.835 81 HB1 ALA 13 HB1 ALA 13 -18.608 -7.169 -1.455 82 HB2 ALA 13 HB2 ALA 13 -17.412 -7.626 -2.667 83 HB3 ALA 13 HB3 ALA 13 -17.134 -6.218 -1.641 84 H VAL 14 H VAL 14 -15.305 -6.453 0.512 85 HA VAL 14 HA VAL 14 -13.055 -6.533 -1.168 86 HB VAL 14 HB VAL 14 -13.317 -5.777 1.747 87 HG11 VAL 14 HG11 VAL 14 -11.040 -6.007 1.688 88 HG12 VAL 14 HG12 VAL 14 -11.126 -4.450 0.865 89 HG13 VAL 14 HG13 VAL 14 -10.976 -5.936 -0.073 90 HG21 VAL 14 HG21 VAL 14 -13.272 -3.492 0.844 91 HG22 VAL 14 HG22 VAL 14 -14.588 -4.407 0.110 92 HG23 VAL 14 HG23 VAL 14 -13.098 -4.128 -0.791 93 H ASP 15 H ASP 15 -13.808 -8.345 1.791 94 HA ASP 15 HA ASP 15 -11.340 -9.609 2.148 95 HB2 ASP 15 HB2 ASP 15 -13.279 -9.650 3.745 96 HB3 ASP 15 HB3 ASP 15 -14.048 -10.837 2.692 97 H LEU 16 H LEU 16 -14.110 -10.535 0.130 98 HA LEU 16 HA LEU 16 -13.068 -13.040 -0.699 99 HB2 LEU 16 HB2 LEU 16 -14.995 -11.212 -2.156 100 HB3 LEU 16 HB3 LEU 16 -14.750 -12.929 -2.474 101 HG LEU 16 HG LEU 16 -15.773 -11.725 0.116 102 HD11 LEU 16 HD11 LEU 16 -17.533 -13.641 -1.031 103 HD12 LEU 16 HD12 LEU 16 -17.069 -12.530 -2.319 104 HD13 LEU 16 HD13 LEU 16 -17.801 -11.908 -0.840 105 HD21 LEU 16 HD21 LEU 16 -14.900 -14.482 -0.687 106 HD22 LEU 16 HD22 LEU 16 -16.239 -14.309 0.448 107 HD23 LEU 16 HD23 LEU 16 -14.656 -13.636 0.842 108 H ALA 17 H ALA 17 -12.819 -9.767 -2.025 109 HA ALA 17 HA ALA 17 -11.465 -10.510 -4.417 110 HB1 ALA 17 HB1 ALA 17 -12.132 -8.385 -4.763 111 HB2 ALA 17 HB2 ALA 17 -10.665 -7.926 -3.899 112 HB3 ALA 17 HB3 ALA 17 -12.200 -8.034 -3.037 113 H VAL 18 H VAL 18 -10.393 -9.569 -1.190 114 HA VAL 18 HA VAL 18 -7.637 -9.326 -1.766 115 HB VAL 18 HB VAL 18 -9.089 -9.999 0.800 116 HG11 VAL 18 HG11 VAL 18 -6.939 -10.769 1.266 117 HG12 VAL 18 HG12 VAL 18 -6.795 -9.067 1.709 118 HG13 VAL 18 HG13 VAL 18 -6.180 -9.628 0.154 119 HG21 VAL 18 HG21 VAL 18 -9.334 -7.721 -0.458 120 HG22 VAL 18 HG22 VAL 18 -7.683 -7.429 0.091 121 HG23 VAL 18 HG23 VAL 18 -8.970 -7.697 1.267 122 H GLU 19 H GLU 19 -9.640 -12.086 -0.829 123 HA GLU 19 HA GLU 19 -7.641 -13.937 -0.245 124 HB2 GLU 19 HB2 GLU 19 -10.227 -14.143 -0.090 125 HB3 GLU 19 HB3 GLU 19 -10.118 -14.729 -1.750 126 HG2 GLU 19 HG2 GLU 19 -8.650 -15.885 0.638 127 HG3 GLU 19 HG3 GLU 19 -10.039 -16.611 -0.169 128 H LYS 20 H LYS 20 -9.023 -13.020 -3.386 129 HA LYS 20 HA LYS 20 -7.673 -14.972 -4.923 130 HB2 LYS 20 HB2 LYS 20 -8.822 -12.264 -5.592 131 HB3 LYS 20 HB3 LYS 20 -8.015 -13.253 -6.805 132 HG2 LYS 20 HG2 LYS 20 -10.284 -13.850 -7.030 133 HG3 LYS 20 HG3 LYS 20 -9.623 -15.143 -6.033 134 HD2 LYS 20 HD2 LYS 20 -10.458 -14.064 -4.009 135 HD3 LYS 20 HD3 LYS 20 -11.028 -12.686 -4.949 136 HE2 LYS 20 HE2 LYS 20 -12.204 -14.814 -6.254 137 HE3 LYS 20 HE3 LYS 20 -12.254 -15.330 -4.568 138 HZ1 LYS 20 HZ1 LYS 20 -12.948 -12.631 -4.651 139 HZ2 LYS 20 HZ2 LYS 20 -13.937 -13.954 -4.249 140 HZ3 LYS 20 HZ3 LYS 20 -13.850 -13.412 -5.857 141 H PHE 21 H PHE 21 -6.816 -11.637 -4.055 142 HA PHE 21 HA PHE 21 -4.356 -11.613 -5.489 143 HB2 PHE 21 HB2 PHE 21 -5.567 -9.561 -4.766 144 HB3 PHE 21 HB3 PHE 21 -5.150 -9.942 -3.094 145 HD1 PHE 21 HD1 PHE 21 -3.700 -9.203 -6.447 146 HD2 PHE 21 HD2 PHE 21 -3.000 -9.433 -2.215 147 HE1 PHE 21 HE1 PHE 21 -1.485 -8.130 -6.753 148 HE2 PHE 21 HE2 PHE 21 -0.785 -8.359 -2.524 149 HZ PHE 21 HZ PHE 21 -0.029 -7.708 -4.793 150 H TYR 22 H TYR 22 -5.176 -12.182 -2.079 151 HA TYR 22 HA TYR 22 -2.563 -12.542 -1.117 152 HB2 TYR 22 HB2 TYR 22 -4.544 -12.261 0.336 153 HB3 TYR 22 HB3 TYR 22 -5.108 -13.863 -0.143 154 HD1 TYR 22 HD1 TYR 22 -2.468 -12.006 1.669 155 HD2 TYR 22 HD2 TYR 22 -4.071 -15.872 0.703 156 HE1 TYR 22 HE1 TYR 22 -1.032 -13.036 3.409 157 HE2 TYR 22 HE2 TYR 22 -2.636 -16.902 2.443 158 HH TYR 22 HH TYR 22 -1.190 -16.532 4.087 159 H GLY 23 H GLY 23 -4.881 -14.871 -2.465 160 HA2 GLY 23 HA2 GLY 23 -3.402 -17.213 -2.015 161 HA3 GLY 23 HA3 GLY 23 -4.592 -16.997 -3.297 162 H LYS 24 H LYS 24 -3.355 -14.928 -4.734 163 HA LYS 24 HA LYS 24 -1.602 -16.370 -6.398 164 HB2 LYS 24 HB2 LYS 24 -2.958 -14.389 -7.098 165 HB3 LYS 24 HB3 LYS 24 -1.864 -13.361 -6.176 166 HG2 LYS 24 HG2 LYS 24 -0.986 -13.253 -8.356 167 HG3 LYS 24 HG3 LYS 24 0.018 -14.479 -7.586 168 HD2 LYS 24 HD2 LYS 24 -1.235 -16.262 -8.618 169 HD3 LYS 24 HD3 LYS 24 -2.461 -15.136 -9.199 170 HE2 LYS 24 HE2 LYS 24 -1.136 -14.364 -10.914 171 HE3 LYS 24 HE3 LYS 24 0.358 -14.613 -10.011 172 HZ1 LYS 24 HZ1 LYS 24 -0.476 -16.206 -11.983 173 HZ2 LYS 24 HZ2 LYS 24 -1.124 -17.019 -10.641 174 HZ3 LYS 24 HZ3 LYS 24 0.545 -16.714 -10.729 175 H VAL 25 H VAL 25 -0.993 -13.983 -3.848 176 HA VAL 25 HA VAL 25 1.809 -13.810 -4.207 177 HB VAL 25 HB VAL 25 0.087 -13.341 -1.763 178 HG11 VAL 25 HG11 VAL 25 3.031 -13.038 -2.268 179 HG12 VAL 25 HG12 VAL 25 2.206 -13.625 -0.825 180 HG13 VAL 25 HG13 VAL 25 2.214 -11.901 -1.195 181 HG21 VAL 25 HG21 VAL 25 1.413 -11.092 -3.103 182 HG22 VAL 25 HG22 VAL 25 -0.268 -11.263 -2.598 183 HG23 VAL 25 HG23 VAL 25 0.261 -11.932 -4.141 184 H LEU 26 H LEU 26 -0.227 -15.908 -2.215 185 HA LEU 26 HA LEU 26 1.789 -17.182 -0.741 186 HB2 LEU 26 HB2 LEU 26 -0.676 -17.374 -0.321 187 HB3 LEU 26 HB3 LEU 26 -0.789 -18.422 -1.733 188 HG LEU 26 HG LEU 26 1.013 -19.869 -0.616 189 HD11 LEU 26 HD11 LEU 26 1.873 -19.193 1.349 190 HD12 LEU 26 HD12 LEU 26 0.261 -19.179 2.062 191 HD13 LEU 26 HD13 LEU 26 0.887 -17.733 1.273 192 HD21 LEU 26 HD21 LEU 26 -1.834 -19.541 0.234 193 HD22 LEU 26 HD22 LEU 26 -0.826 -20.670 1.140 194 HD23 LEU 26 HD23 LEU 26 -1.061 -20.892 -0.594 195 H ALA 27 H ALA 27 0.541 -17.784 -3.981 196 HA ALA 27 HA ALA 27 1.764 -20.274 -4.446 197 HB1 ALA 27 HB1 ALA 27 0.020 -18.917 -5.855 198 HB2 ALA 27 HB2 ALA 27 1.156 -19.992 -6.670 199 HB3 ALA 27 HB3 ALA 27 1.454 -18.254 -6.639 200 H ASP 28 H ASP 28 2.967 -16.963 -4.844 201 HA ASP 28 HA ASP 28 5.498 -17.920 -5.926 202 HB2 ASP 28 HB2 ASP 28 4.449 -15.813 -6.741 203 HB3 ASP 28 HB3 ASP 28 4.684 -15.114 -5.140 204 H GLU 29 H GLU 29 6.699 -18.954 -4.425 205 HA GLU 29 HA GLU 29 6.820 -18.166 -1.674 206 HB2 GLU 29 HB2 GLU 29 8.548 -20.042 -3.301 207 HB3 GLU 29 HB3 GLU 29 8.661 -19.843 -1.551 208 HG2 GLU 29 HG2 GLU 29 6.265 -20.484 -1.351 209 HG3 GLU 29 HG3 GLU 29 6.215 -20.760 -3.091 210 H ARG 30 H ARG 30 8.575 -17.326 -4.548 211 HA ARG 30 HA ARG 30 11.029 -16.512 -3.545 212 HB2 ARG 30 HB2 ARG 30 9.378 -15.259 -5.749 213 HB3 ARG 30 HB3 ARG 30 11.088 -14.936 -5.464 214 HG2 ARG 30 HG2 ARG 30 11.557 -17.371 -5.735 215 HG3 ARG 30 HG3 ARG 30 9.858 -17.625 -6.132 216 HD2 ARG 30 HD2 ARG 30 11.800 -15.869 -7.656 217 HD3 ARG 30 HD3 ARG 30 11.173 -17.426 -8.188 218 HE ARG 30 HE ARG 30 9.003 -15.702 -7.634 219 HH11 ARG 30 HH11 ARG 30 11.629 -16.145 -9.843 220 HH12 ARG 30 HH12 ARG 30 10.817 -15.394 -11.176 221 HH21 ARG 30 HH21 ARG 30 7.931 -14.715 -9.377 222 HH22 ARG 30 HH22 ARG 30 8.723 -14.584 -10.911 223 H VAL 31 H VAL 31 7.969 -14.685 -3.617 224 HA VAL 31 HA VAL 31 9.204 -12.342 -2.460 225 HB VAL 31 HB VAL 31 6.968 -11.399 -2.440 226 HG11 VAL 31 HG11 VAL 31 7.555 -11.083 -4.609 227 HG12 VAL 31 HG12 VAL 31 6.380 -12.352 -4.946 228 HG13 VAL 31 HG13 VAL 31 8.091 -12.750 -4.805 229 HG21 VAL 31 HG21 VAL 31 5.337 -13.331 -3.613 230 HG22 VAL 31 HG22 VAL 31 5.281 -12.814 -1.928 231 HG23 VAL 31 HG23 VAL 31 6.233 -14.224 -2.386 232 H ASN 32 H ASN 32 7.507 -15.161 -1.310 233 HA ASN 32 HA ASN 32 6.699 -14.286 1.221 234 HB2 ASN 32 HB2 ASN 32 7.630 -17.016 0.313 235 HB3 ASN 32 HB3 ASN 32 6.851 -16.697 1.863 236 HD21 ASN 32 HD21 ASN 32 5.610 -18.433 -0.007 237 HD22 ASN 32 HD22 ASN 32 4.211 -17.681 -0.608 238 H ARG 33 H ARG 33 9.857 -15.243 0.036 239 HA ARG 33 HA ARG 33 11.191 -15.773 2.414 240 HB2 ARG 33 HB2 ARG 33 12.219 -14.367 -0.061 241 HB3 ARG 33 HB3 ARG 33 13.237 -15.027 1.221 242 HG2 ARG 33 HG2 ARG 33 12.229 -17.270 0.826 243 HG3 ARG 33 HG3 ARG 33 11.307 -16.592 -0.517 244 HD2 ARG 33 HD2 ARG 33 13.505 -15.858 -1.531 245 HD3 ARG 33 HD3 ARG 33 14.319 -16.794 -0.280 246 HE ARG 33 HE ARG 33 12.812 -17.859 -2.547 247 HH11 ARG 33 HH11 ARG 33 14.373 -18.378 0.499 248 HH12 ARG 33 HH12 ARG 33 14.564 -20.083 0.265 249 HH21 ARG 33 HH21 ARG 33 13.061 -20.094 -2.859 250 HH22 ARG 33 HH22 ARG 33 13.821 -21.055 -1.635 251 H PHE 34 H PHE 34 10.470 -12.648 0.902 252 HA PHE 34 HA PHE 34 11.953 -11.083 2.768 253 HB2 PHE 34 HB2 PHE 34 9.704 -10.389 0.875 254 HB3 PHE 34 HB3 PHE 34 10.549 -9.196 1.862 255 HD1 PHE 34 HD1 PHE 34 12.978 -8.784 1.538 256 HD2 PHE 34 HD2 PHE 34 10.754 -11.399 -1.042 257 HE1 PHE 34 HE1 PHE 34 14.811 -8.696 -0.132 258 HE2 PHE 34 HE2 PHE 34 12.586 -11.310 -2.713 259 HZ PHE 34 HZ PHE 34 14.615 -9.960 -2.257 260 H PHE 35 H PHE 35 8.650 -12.286 2.669 261 HA PHE 35 HA PHE 35 7.797 -10.692 4.923 262 HB2 PHE 35 HB2 PHE 35 6.500 -12.972 3.425 263 HB3 PHE 35 HB3 PHE 35 5.739 -12.133 4.776 264 HD1 PHE 35 HD1 PHE 35 5.332 -9.647 4.620 265 HD2 PHE 35 HD2 PHE 35 6.571 -12.000 1.248 266 HE1 PHE 35 HE1 PHE 35 4.595 -7.840 3.089 267 HE2 PHE 35 HE2 PHE 35 5.836 -10.193 -0.284 268 HZ PHE 35 HZ PHE 35 4.848 -8.113 0.637 269 H VAL 36 H VAL 36 9.886 -13.184 4.798 270 HA VAL 36 HA VAL 36 8.989 -15.058 6.674 271 HB VAL 36 HB VAL 36 11.769 -14.054 6.044 272 HG11 VAL 36 HG11 VAL 36 11.989 -14.918 8.238 273 HG12 VAL 36 HG12 VAL 36 12.405 -16.279 7.197 274 HG13 VAL 36 HG13 VAL 36 10.810 -16.196 7.943 275 HG21 VAL 36 HG21 VAL 36 10.684 -16.790 5.466 276 HG22 VAL 36 HG22 VAL 36 11.895 -15.860 4.583 277 HG23 VAL 36 HG23 VAL 36 10.186 -15.446 4.437 278 H ASN 37 H ASN 37 10.694 -11.981 7.140 279 HA ASN 37 HA ASN 37 11.021 -12.139 9.929 280 HB2 ASN 37 HB2 ASN 37 10.661 -9.720 8.145 281 HB3 ASN 37 HB3 ASN 37 11.190 -9.656 9.826 282 HD21 ASN 37 HD21 ASN 37 12.876 -8.727 7.707 283 HD22 ASN 37 HD22 ASN 37 14.212 -9.768 7.593 284 H THR 38 H THR 38 8.302 -11.174 7.935 285 HA THR 38 HA THR 38 6.748 -10.394 10.300 286 HB THR 38 HB THR 38 5.976 -10.273 7.376 287 HG1 THR 38 HG1 THR 38 7.204 -8.594 7.318 288 HG21 THR 38 HG21 THR 38 4.211 -8.812 8.122 289 HG22 THR 38 HG22 THR 38 4.850 -8.798 9.767 290 HG23 THR 38 HG23 THR 38 4.142 -10.272 9.108 291 H ASP 39 H ASP 39 4.924 -11.478 10.974 292 HA ASP 39 HA ASP 39 4.767 -14.265 10.356 293 HB2 ASP 39 HB2 ASP 39 2.905 -14.310 11.917 294 HB3 ASP 39 HB3 ASP 39 4.207 -13.329 12.587 295 H MET 40 H MET 40 2.891 -15.377 9.524 296 HA MET 40 HA MET 40 1.998 -14.376 7.055 297 HB2 MET 40 HB2 MET 40 0.897 -16.601 8.784 298 HB3 MET 40 HB3 MET 40 0.398 -16.295 7.119 299 HG2 MET 40 HG2 MET 40 2.811 -16.512 6.432 300 HG3 MET 40 HG3 MET 40 3.183 -17.002 8.084 301 HE1 MET 40 HE1 MET 40 -0.084 -18.527 5.630 302 HE2 MET 40 HE2 MET 40 1.305 -18.939 4.628 303 HE3 MET 40 HE3 MET 40 1.084 -17.280 5.176 304 H ALA 41 H ALA 41 0.536 -14.283 10.265 305 HA ALA 41 HA ALA 41 -2.065 -13.517 9.510 306 HB1 ALA 41 HB1 ALA 41 -2.436 -13.363 11.736 307 HB2 ALA 41 HB2 ALA 41 -1.049 -12.304 11.991 308 HB3 ALA 41 HB3 ALA 41 -0.818 -14.049 11.883 309 H LYS 42 H LYS 42 0.584 -11.424 10.697 310 HA LYS 42 HA LYS 42 -0.710 -8.987 10.133 311 HB2 LYS 42 HB2 LYS 42 1.318 -9.297 11.600 312 HB3 LYS 42 HB3 LYS 42 2.277 -9.454 10.128 313 HG2 LYS 42 HG2 LYS 42 2.481 -7.176 10.488 314 HG3 LYS 42 HG3 LYS 42 1.030 -7.197 9.486 315 HD2 LYS 42 HD2 LYS 42 0.376 -5.853 11.295 316 HD3 LYS 42 HD3 LYS 42 -0.240 -7.442 11.754 317 HE2 LYS 42 HE2 LYS 42 2.326 -7.524 12.740 318 HE3 LYS 42 HE3 LYS 42 1.894 -5.832 12.988 319 HZ1 LYS 42 HZ1 LYS 42 0.808 -6.526 14.779 320 HZ2 LYS 42 HZ2 LYS 42 0.949 -8.162 14.340 321 HZ3 LYS 42 HZ3 LYS 42 -0.332 -7.225 13.735 322 H GLN 43 H GLN 43 1.297 -11.103 8.177 323 HA GLN 43 HA GLN 43 1.927 -9.442 6.046 324 HB2 GLN 43 HB2 GLN 43 2.723 -11.794 6.378 325 HB3 GLN 43 HB3 GLN 43 1.143 -12.355 5.829 326 HG2 GLN 43 HG2 GLN 43 1.477 -11.101 3.701 327 HG3 GLN 43 HG3 GLN 43 3.094 -10.661 4.245 328 HE21 GLN 43 HE21 GLN 43 2.737 -13.641 5.550 329 HE22 GLN 43 HE22 GLN 43 3.328 -14.602 4.282 330 H LYS 44 H LYS 44 -1.079 -11.214 6.677 331 HA LYS 44 HA LYS 44 -2.337 -10.796 4.209 332 HB2 LYS 44 HB2 LYS 44 -3.527 -10.984 6.987 333 HB3 LYS 44 HB3 LYS 44 -4.467 -11.036 5.495 334 HG2 LYS 44 HG2 LYS 44 -3.221 -13.020 4.757 335 HG3 LYS 44 HG3 LYS 44 -2.236 -12.958 6.217 336 HD2 LYS 44 HD2 LYS 44 -3.972 -14.593 6.588 337 HD3 LYS 44 HD3 LYS 44 -4.360 -13.176 7.563 338 HE2 LYS 44 HE2 LYS 44 -6.094 -12.507 6.134 339 HE3 LYS 44 HE3 LYS 44 -5.464 -13.437 4.775 340 HZ1 LYS 44 HZ1 LYS 44 -6.948 -14.377 7.136 341 HZ2 LYS 44 HZ2 LYS 44 -5.908 -15.439 6.314 342 HZ3 LYS 44 HZ3 LYS 44 -7.215 -14.722 5.498 343 H GLN 45 H GLN 45 -2.084 -8.718 7.054 344 HA GLN 45 HA GLN 45 -3.914 -6.728 6.261 345 HB2 GLN 45 HB2 GLN 45 -2.909 -6.952 8.543 346 HB3 GLN 45 HB3 GLN 45 -1.392 -6.334 7.886 347 HG2 GLN 45 HG2 GLN 45 -2.516 -4.261 7.196 348 HG3 GLN 45 HG3 GLN 45 -4.049 -4.877 7.808 349 HE21 GLN 45 HE21 GLN 45 -3.264 -2.521 8.949 350 HE22 GLN 45 HE22 GLN 45 -2.652 -2.770 10.513 351 H HIS 46 H HIS 46 -0.471 -7.171 5.565 352 HA HIS 46 HA HIS 46 0.022 -4.687 4.356 353 HB2 HIS 46 HB2 HIS 46 1.772 -6.347 4.991 354 HB3 HIS 46 HB3 HIS 46 1.276 -7.340 3.620 355 HD1 HIS 46 HD1 HIS 46 2.157 -6.699 1.339 356 HD2 HIS 46 HD2 HIS 46 2.835 -3.732 4.185 357 HE1 HIS 46 HE1 HIS 46 3.635 -4.968 0.229 358 H GLN 47 H GLN 47 -1.021 -7.772 2.903 359 HA GLN 47 HA GLN 47 -1.108 -6.872 0.236 360 HB2 GLN 47 HB2 GLN 47 -2.601 -9.054 1.690 361 HB3 GLN 47 HB3 GLN 47 -2.802 -8.761 -0.036 362 HG2 GLN 47 HG2 GLN 47 -0.971 -10.473 0.883 363 HG3 GLN 47 HG3 GLN 47 -0.678 -9.493 -0.549 364 HE21 GLN 47 HE21 GLN 47 0.375 -10.124 2.699 365 HE22 GLN 47 HE22 GLN 47 1.578 -8.928 2.759 366 H LYS 48 H LYS 48 -3.516 -6.767 2.827 367 HA LYS 48 HA LYS 48 -5.691 -5.869 1.268 368 HB2 LYS 48 HB2 LYS 48 -5.876 -6.731 3.599 369 HB3 LYS 48 HB3 LYS 48 -5.119 -5.245 4.174 370 HG2 LYS 48 HG2 LYS 48 -6.944 -3.931 3.118 371 HG3 LYS 48 HG3 LYS 48 -7.718 -5.437 2.624 372 HD2 LYS 48 HD2 LYS 48 -7.791 -6.121 5.037 373 HD3 LYS 48 HD3 LYS 48 -7.181 -4.522 5.462 374 HE2 LYS 48 HE2 LYS 48 -9.140 -3.515 4.268 375 HE3 LYS 48 HE3 LYS 48 -9.774 -5.143 4.021 376 HZ1 LYS 48 HZ1 LYS 48 -10.704 -4.046 5.992 377 HZ2 LYS 48 HZ2 LYS 48 -9.148 -3.952 6.669 378 HZ3 LYS 48 HZ3 LYS 48 -9.865 -5.466 6.386 379 H ASP 49 H ASP 49 -3.245 -4.089 3.138 380 HA ASP 49 HA ASP 49 -4.219 -1.498 2.530 381 HB2 ASP 49 HB2 ASP 49 -1.459 -2.456 3.317 382 HB3 ASP 49 HB3 ASP 49 -1.923 -0.760 3.208 383 H PHE 50 H PHE 50 -1.889 -3.628 0.949 384 HA PHE 50 HA PHE 50 -0.824 -1.828 -0.911 385 HB2 PHE 50 HB2 PHE 50 0.039 -4.123 -0.478 386 HB3 PHE 50 HB3 PHE 50 -1.363 -4.778 -1.325 387 HD1 PHE 50 HD1 PHE 50 1.751 -2.818 -1.690 388 HD2 PHE 50 HD2 PHE 50 -1.574 -4.614 -3.734 389 HE1 PHE 50 HE1 PHE 50 2.910 -2.497 -3.859 390 HE2 PHE 50 HE2 PHE 50 -0.415 -4.292 -5.902 391 HZ PHE 50 HZ PHE 50 1.827 -3.233 -5.965 392 H MET 51 H MET 51 -3.681 -3.932 -1.139 393 HA MET 51 HA MET 51 -4.377 -3.288 -3.792 394 HB2 MET 51 HB2 MET 51 -5.318 -5.198 -2.506 395 HB3 MET 51 HB3 MET 51 -6.234 -4.051 -1.527 396 HG2 MET 51 HG2 MET 51 -7.312 -3.194 -3.610 397 HG3 MET 51 HG3 MET 51 -6.466 -4.442 -4.526 398 HE1 MET 51 HE1 MET 51 -8.968 -5.852 -5.359 399 HE2 MET 51 HE2 MET 51 -9.040 -4.128 -5.004 400 HE3 MET 51 HE3 MET 51 -10.260 -5.209 -4.335 401 H THR 52 H THR 52 -5.250 -1.786 -0.703 402 HA THR 52 HA THR 52 -7.181 0.013 -1.655 403 HB THR 52 HB THR 52 -5.225 0.456 0.612 404 HG1 THR 52 HG1 THR 52 -7.505 -0.308 1.536 405 HG21 THR 52 HG21 THR 52 -7.276 2.078 -0.508 406 HG22 THR 52 HG22 THR 52 -6.349 2.367 0.965 407 HG23 THR 52 HG23 THR 52 -7.868 1.475 1.040 408 H TYR 53 H TYR 53 -3.657 0.288 -1.463 409 HA TYR 53 HA TYR 53 -3.423 2.995 -2.177 410 HB2 TYR 53 HB2 TYR 53 -1.580 1.557 -1.288 411 HB3 TYR 53 HB3 TYR 53 -1.493 0.769 -2.863 412 HD1 TYR 53 HD1 TYR 53 -1.102 4.007 -1.090 413 HD2 TYR 53 HD2 TYR 53 -0.458 1.840 -4.743 414 HE1 TYR 53 HE1 TYR 53 0.330 5.849 -1.929 415 HE2 TYR 53 HE2 TYR 53 0.976 3.684 -5.580 416 HH TYR 53 HH TYR 53 2.438 5.573 -4.361 417 H ALA 54 H ALA 54 -3.717 0.079 -4.152 418 HA ALA 54 HA ALA 54 -3.144 1.218 -6.659 419 HB1 ALA 54 HB1 ALA 54 -3.635 -0.839 -7.447 420 HB2 ALA 54 HB2 ALA 54 -5.223 -0.852 -6.682 421 HB3 ALA 54 HB3 ALA 54 -3.792 -1.292 -5.750 422 H PHE 55 H PHE 55 -6.071 1.210 -4.721 423 HA PHE 55 HA PHE 55 -7.661 2.348 -6.882 424 HB2 PHE 55 HB2 PHE 55 -8.246 1.470 -4.068 425 HB3 PHE 55 HB3 PHE 55 -9.403 2.452 -4.967 426 HD1 PHE 55 HD1 PHE 55 -7.329 -0.651 -5.286 427 HD2 PHE 55 HD2 PHE 55 -10.897 1.429 -6.454 428 HE1 PHE 55 HE1 PHE 55 -8.105 -2.669 -6.499 429 HE2 PHE 55 HE2 PHE 55 -11.675 -0.588 -7.670 430 HZ PHE 55 HZ PHE 55 -10.280 -2.638 -7.691 431 H GLY 56 H GLY 56 -5.323 3.647 -5.176 432 HA2 GLY 56 HA2 GLY 56 -4.798 5.910 -4.945 433 HA3 GLY 56 HA3 GLY 56 -6.478 6.310 -5.287 434 H GLY 57 H GLY 57 -5.332 4.050 -2.827 435 HA2 GLY 57 HA2 GLY 57 -6.950 5.220 -0.791 436 HA3 GLY 57 HA3 GLY 57 -5.733 3.966 -0.557 437 H THR 58 H THR 58 -5.276 7.204 -1.914 438 HA THR 58 HA THR 58 -3.062 7.691 -0.114 439 HB THR 58 HB THR 58 -2.729 9.721 -1.400 440 HG1 THR 58 HG1 THR 58 -4.985 9.139 -2.951 441 HG21 THR 58 HG21 THR 58 -3.492 7.296 -3.040 442 HG22 THR 58 HG22 THR 58 -1.884 7.750 -2.476 443 HG23 THR 58 HG23 THR 58 -2.683 8.706 -3.725 444 H ASP 59 H ASP 59 -6.064 7.623 0.690 445 HA ASP 59 HA ASP 59 -6.986 10.102 1.482 446 HB2 ASP 59 HB2 ASP 59 -8.188 7.915 1.737 447 HB3 ASP 59 HB3 ASP 59 -7.178 7.585 3.144 448 H ARG 60 H ARG 60 -4.547 8.064 3.038 449 HA ARG 60 HA ARG 60 -3.656 10.392 4.570 450 HB2 ARG 60 HB2 ARG 60 -3.459 8.771 6.605 451 HB3 ARG 60 HB3 ARG 60 -5.009 9.537 6.259 452 HG2 ARG 60 HG2 ARG 60 -5.768 7.538 5.070 453 HG3 ARG 60 HG3 ARG 60 -4.199 6.771 5.319 454 HD2 ARG 60 HD2 ARG 60 -5.718 5.927 7.001 455 HD3 ARG 60 HD3 ARG 60 -4.558 6.986 7.794 456 HE ARG 60 HE ARG 60 -7.403 7.526 7.374 457 HH11 ARG 60 HH11 ARG 60 -4.262 8.629 8.329 458 HH12 ARG 60 HH12 ARG 60 -4.861 9.972 9.243 459 HH21 ARG 60 HH21 ARG 60 -8.192 9.288 8.571 460 HH22 ARG 60 HH22 ARG 60 -7.084 10.345 9.379 461 H PHE 61 H PHE 61 -2.157 9.762 2.610 462 HA PHE 61 HA PHE 61 -0.005 8.059 3.716 463 HB2 PHE 61 HB2 PHE 61 -1.081 8.187 0.906 464 HB3 PHE 61 HB3 PHE 61 0.549 7.608 1.247 465 HD1 PHE 61 HD1 PHE 61 -3.040 7.078 2.137 466 HD2 PHE 61 HD2 PHE 61 0.916 5.407 2.022 467 HE1 PHE 61 HE1 PHE 61 -3.957 4.863 2.774 468 HE2 PHE 61 HE2 PHE 61 -0.001 3.193 2.660 469 HZ PHE 61 HZ PHE 61 -2.438 2.920 3.035 470 HA PRO 62 HA PRO 62 1.336 12.450 2.645 471 HB2 PRO 62 HB2 PRO 62 2.431 12.970 5.125 472 HB3 PRO 62 HB3 PRO 62 0.780 13.403 4.646 473 HG2 PRO 62 HG2 PRO 62 1.742 11.132 6.296 474 HG3 PRO 62 HG3 PRO 62 0.257 12.088 6.435 475 HD2 PRO 62 HD2 PRO 62 0.321 9.571 5.359 476 HD3 PRO 62 HD3 PRO 62 -0.880 10.796 4.895 477 H GLY 63 H GLY 63 2.772 9.604 3.990 478 HA2 GLY 63 HA2 GLY 63 4.828 8.638 3.503 479 HA3 GLY 63 HA3 GLY 63 5.222 10.051 2.529 480 H ARG 64 H ARG 64 4.257 9.910 5.936 481 HA ARG 64 HA ARG 64 6.068 11.803 6.858 482 HB2 ARG 64 HB2 ARG 64 4.092 10.879 8.111 483 HB3 ARG 64 HB3 ARG 64 5.052 9.439 8.450 484 HG2 ARG 64 HG2 ARG 64 5.521 10.689 10.343 485 HG3 ARG 64 HG3 ARG 64 6.824 11.234 9.288 486 HD2 ARG 64 HD2 ARG 64 5.762 13.178 10.292 487 HD3 ARG 64 HD3 ARG 64 5.390 13.147 8.571 488 HE ARG 64 HE ARG 64 3.154 12.776 9.107 489 HH11 ARG 64 HH11 ARG 64 5.211 12.303 11.849 490 HH12 ARG 64 HH12 ARG 64 3.905 12.171 12.979 491 HH21 ARG 64 HH21 ARG 64 1.437 12.604 10.583 492 HH22 ARG 64 HH22 ARG 64 1.768 12.341 12.263 493 H SER 65 H SER 65 6.460 8.295 6.532 494 HA SER 65 HA SER 65 9.264 8.453 6.239 495 HB2 SER 65 HB2 SER 65 9.816 7.240 8.426 496 HB3 SER 65 HB3 SER 65 9.477 8.965 8.538 497 HG SER 65 HG SER 65 7.260 7.347 8.694 498 H MET 66 H MET 66 7.257 7.167 4.840 499 HA MET 66 HA MET 66 6.802 4.478 5.514 500 HB2 MET 66 HB2 MET 66 6.967 5.835 2.814 501 HB3 MET 66 HB3 MET 66 6.414 4.177 3.051 502 HG2 MET 66 HG2 MET 66 5.190 6.583 4.426 503 HG3 MET 66 HG3 MET 66 4.541 5.846 2.962 504 HE1 MET 66 HE1 MET 66 3.079 6.319 5.768 505 HE2 MET 66 HE2 MET 66 4.560 5.989 6.661 506 HE3 MET 66 HE3 MET 66 3.139 4.982 6.924 507 H ARG 67 H ARG 67 9.506 6.056 3.909 508 HA ARG 67 HA ARG 67 10.818 3.819 2.862 509 HB2 ARG 67 HB2 ARG 67 11.984 6.366 4.009 510 HB3 ARG 67 HB3 ARG 67 12.878 5.198 3.034 511 HG2 ARG 67 HG2 ARG 67 11.213 5.519 1.200 512 HG3 ARG 67 HG3 ARG 67 10.439 6.775 2.165 513 HD2 ARG 67 HD2 ARG 67 12.671 7.957 2.250 514 HD3 ARG 67 HD3 ARG 67 13.266 6.781 1.080 515 HE ARG 67 HE ARG 67 11.038 7.740 -0.132 516 HH11 ARG 67 HH11 ARG 67 13.751 9.222 1.423 517 HH12 ARG 67 HH12 ARG 67 13.723 10.640 0.429 518 HH21 ARG 67 HH21 ARG 67 10.994 9.598 -1.440 519 HH22 ARG 67 HH22 ARG 67 12.162 10.853 -1.191 520 H ALA 68 H ALA 68 10.827 5.173 6.124 521 HA ALA 68 HA ALA 68 12.927 3.603 7.177 522 HB1 ALA 68 HB1 ALA 68 12.342 5.382 8.551 523 HB2 ALA 68 HB2 ALA 68 11.575 4.028 9.383 524 HB3 ALA 68 HB3 ALA 68 10.612 5.095 8.360 525 H ALA 69 H ALA 69 9.484 2.995 6.758 526 HA ALA 69 HA ALA 69 9.292 0.676 8.356 527 HB1 ALA 69 HB1 ALA 69 7.177 0.405 7.445 528 HB2 ALA 69 HB2 ALA 69 7.675 0.980 5.854 529 HB3 ALA 69 HB3 ALA 69 7.446 2.127 7.173 530 H HIS 70 H HIS 70 10.235 1.165 4.986 531 HA HIS 70 HA HIS 70 10.588 -1.720 4.614 532 HB2 HIS 70 HB2 HIS 70 10.887 0.604 2.699 533 HB3 HIS 70 HB3 HIS 70 11.111 -1.091 2.265 534 HD1 HIS 70 HD1 HIS 70 8.479 1.430 3.100 535 HD2 HIS 70 HD2 HIS 70 8.696 -2.642 2.233 536 HE1 HIS 70 HE1 HIS 70 6.103 0.660 2.675 537 H GLN 71 H GLN 71 12.393 1.040 5.492 538 HA GLN 71 HA GLN 71 14.919 0.482 4.417 539 HB2 GLN 71 HB2 GLN 71 14.269 2.576 5.637 540 HB3 GLN 71 HB3 GLN 71 14.366 1.666 7.145 541 HG2 GLN 71 HG2 GLN 71 16.722 1.140 6.699 542 HG3 GLN 71 HG3 GLN 71 16.635 1.999 5.161 543 HE21 GLN 71 HE21 GLN 71 18.538 2.959 6.884 544 HE22 GLN 71 HE22 GLN 71 18.033 4.412 7.601 545 H ASP 72 H ASP 72 13.318 -0.747 7.319 546 HA ASP 72 HA ASP 72 15.497 -2.091 8.467 547 HB2 ASP 72 HB2 ASP 72 12.542 -2.729 8.530 548 HB3 ASP 72 HB3 ASP 72 13.746 -3.529 9.539 549 H LEU 73 H LEU 73 13.207 -3.091 5.962 550 HA LEU 73 HA LEU 73 13.941 -5.800 5.792 551 HB2 LEU 73 HB2 LEU 73 12.960 -3.936 3.615 552 HB3 LEU 73 HB3 LEU 73 13.014 -5.695 3.496 553 HG LEU 73 HG LEU 73 11.461 -4.148 5.593 554 HD11 LEU 73 HD11 LEU 73 9.529 -4.494 4.321 555 HD12 LEU 73 HD12 LEU 73 10.256 -5.809 3.397 556 HD13 LEU 73 HD13 LEU 73 10.723 -4.141 3.071 557 HD21 LEU 73 HD21 LEU 73 11.754 -6.183 6.624 558 HD22 LEU 73 HD22 LEU 73 12.079 -7.020 5.107 559 HD23 LEU 73 HD23 LEU 73 10.420 -6.642 5.566 560 H VAL 74 H VAL 74 15.306 -2.910 4.279 561 HA VAL 74 HA VAL 74 17.076 -4.217 2.512 562 HB VAL 74 HB VAL 74 17.238 -1.500 3.830 563 HG11 VAL 74 HG11 VAL 74 18.687 -1.375 1.494 564 HG12 VAL 74 HG12 VAL 74 19.115 -2.973 2.106 565 HG13 VAL 74 HG13 VAL 74 19.388 -1.545 3.103 566 HG21 VAL 74 HG21 VAL 74 16.689 -1.939 0.932 567 HG22 VAL 74 HG22 VAL 74 16.049 -0.708 2.021 568 HG23 VAL 74 HG23 VAL 74 15.397 -2.346 2.061 569 H GLU 75 H GLU 75 17.482 -3.101 5.858 570 HA GLU 75 HA GLU 75 20.230 -3.716 6.090 571 HB2 GLU 75 HB2 GLU 75 18.053 -3.573 8.187 572 HB3 GLU 75 HB3 GLU 75 19.774 -3.702 8.548 573 HG2 GLU 75 HG2 GLU 75 18.510 -1.485 6.912 574 HG3 GLU 75 HG3 GLU 75 18.976 -1.346 8.605 575 H ASN 76 H ASN 76 17.314 -5.644 6.563 576 HA ASN 76 HA ASN 76 18.873 -7.934 7.488 577 HB2 ASN 76 HB2 ASN 76 15.904 -7.575 7.028 578 HB3 ASN 76 HB3 ASN 76 16.653 -9.033 7.678 579 HD21 ASN 76 HD21 ASN 76 14.765 -7.513 9.213 580 HD22 ASN 76 HD22 ASN 76 15.587 -6.820 10.527 581 H ALA 77 H ALA 77 16.441 -7.412 4.921 582 HA ALA 77 HA ALA 77 17.802 -9.503 3.339 583 HB1 ALA 77 HB1 ALA 77 15.759 -10.368 3.054 584 HB2 ALA 77 HB2 ALA 77 15.266 -8.889 2.230 585 HB3 ALA 77 HB3 ALA 77 15.048 -9.042 3.973 586 H GLY 78 H GLY 78 18.211 -9.160 1.143 587 HA2 GLY 78 HA2 GLY 78 18.573 -6.357 0.413 588 HA3 GLY 78 HA3 GLY 78 19.215 -7.754 -0.447 589 H LEU 79 H LEU 79 16.758 -5.413 -0.349 590 HA LEU 79 HA LEU 79 15.061 -6.913 -2.232 591 HB2 LEU 79 HB2 LEU 79 13.977 -5.861 -0.244 592 HB3 LEU 79 HB3 LEU 79 14.490 -4.285 -0.846 593 HG LEU 79 HG LEU 79 13.267 -4.782 -2.991 594 HD11 LEU 79 HD11 LEU 79 11.408 -6.620 -2.494 595 HD12 LEU 79 HD12 LEU 79 12.661 -7.272 -1.440 596 HD13 LEU 79 HD13 LEU 79 12.974 -7.073 -3.164 597 HD21 LEU 79 HD21 LEU 79 11.509 -4.937 -0.527 598 HD22 LEU 79 HD22 LEU 79 11.090 -4.239 -2.091 599 HD23 LEU 79 HD23 LEU 79 12.298 -3.457 -1.071 600 H THR 80 H THR 80 14.902 -6.349 -4.325 601 HA THR 80 HA THR 80 16.291 -3.883 -5.183 602 HB THR 80 HB THR 80 16.930 -5.053 -7.231 603 HG1 THR 80 HG1 THR 80 16.550 -7.483 -6.936 604 HG21 THR 80 HG21 THR 80 17.759 -5.833 -4.550 605 HG22 THR 80 HG22 THR 80 18.744 -5.522 -5.979 606 HG23 THR 80 HG23 THR 80 18.039 -7.119 -5.724 607 H ASP 81 H ASP 81 15.519 -3.019 -7.267 608 HA ASP 81 HA ASP 81 12.788 -2.454 -7.220 609 HB2 ASP 81 HB2 ASP 81 14.812 -2.208 -9.445 610 HB3 ASP 81 HB3 ASP 81 13.176 -1.558 -9.537 611 H VAL 82 H VAL 82 14.544 -4.933 -9.047 612 HA VAL 82 HA VAL 82 12.588 -5.659 -10.876 613 HB VAL 82 HB VAL 82 14.988 -6.576 -10.568 614 HG11 VAL 82 HG11 VAL 82 13.559 -8.780 -9.098 615 HG12 VAL 82 HG12 VAL 82 14.283 -7.441 -8.212 616 HG13 VAL 82 HG13 VAL 82 15.292 -8.475 -9.220 617 HG21 VAL 82 HG21 VAL 82 14.213 -8.812 -11.592 618 HG22 VAL 82 HG22 VAL 82 13.705 -7.338 -12.418 619 HG23 VAL 82 HG23 VAL 82 12.572 -8.201 -11.377 620 H HIS 83 H HIS 83 12.871 -6.541 -7.462 621 HA HIS 83 HA HIS 83 10.898 -8.529 -7.363 622 HB2 HIS 83 HB2 HIS 83 11.736 -6.500 -5.280 623 HB3 HIS 83 HB3 HIS 83 10.679 -7.874 -4.953 624 HD2 HIS 83 HD2 HIS 83 11.976 -10.434 -5.079 625 HE1 HIS 83 HE1 HIS 83 15.892 -8.870 -5.329 626 HE2 HIS 83 HE2 HIS 83 14.528 -10.983 -4.976 627 H PHE 84 H PHE 84 10.641 -5.004 -7.114 628 HA PHE 84 HA PHE 84 7.918 -4.825 -6.467 629 HB2 PHE 84 HB2 PHE 84 9.538 -2.928 -6.431 630 HB3 PHE 84 HB3 PHE 84 9.513 -2.918 -8.193 631 HD1 PHE 84 HD1 PHE 84 7.475 -2.392 -5.144 632 HD2 PHE 84 HD2 PHE 84 7.643 -2.032 -9.421 633 HE1 PHE 84 HE1 PHE 84 5.421 -1.003 -5.108 634 HE2 PHE 84 HE2 PHE 84 5.588 -0.642 -9.385 635 HZ PHE 84 HZ PHE 84 4.478 -0.128 -7.228 636 H ASP 85 H ASP 85 9.542 -4.955 -9.619 637 HA ASP 85 HA ASP 85 7.235 -4.664 -11.215 638 HB2 ASP 85 HB2 ASP 85 9.608 -4.452 -12.006 639 HB3 ASP 85 HB3 ASP 85 9.738 -6.208 -11.915 640 H ALA 86 H ALA 86 8.749 -7.478 -9.725 641 HA ALA 86 HA ALA 86 7.291 -9.468 -11.107 642 HB1 ALA 86 HB1 ALA 86 7.909 -10.240 -8.392 643 HB2 ALA 86 HB2 ALA 86 9.272 -9.396 -9.126 644 HB3 ALA 86 HB3 ALA 86 8.600 -10.829 -9.905 645 H ILE 87 H ILE 87 6.792 -8.239 -7.777 646 HA ILE 87 HA ILE 87 4.330 -9.563 -7.399 647 HB ILE 87 HB ILE 87 5.799 -8.556 -5.601 648 HG12 ILE 87 HG12 ILE 87 2.928 -7.610 -5.464 649 HG13 ILE 87 HG13 ILE 87 3.366 -9.314 -5.346 650 HG21 ILE 87 HG21 ILE 87 6.040 -6.340 -6.760 651 HG22 ILE 87 HG22 ILE 87 5.530 -6.207 -5.079 652 HG23 ILE 87 HG23 ILE 87 4.352 -6.007 -6.377 653 HD11 ILE 87 HD11 ILE 87 4.079 -9.079 -3.216 654 HD12 ILE 87 HD12 ILE 87 3.296 -7.498 -3.236 655 HD13 ILE 87 HD13 ILE 87 5.013 -7.637 -3.615 656 H ALA 88 H ALA 88 5.150 -6.520 -8.909 657 HA ALA 88 HA ALA 88 2.570 -5.352 -8.909 658 HB1 ALA 88 HB1 ALA 88 5.118 -4.934 -10.374 659 HB2 ALA 88 HB2 ALA 88 4.103 -3.772 -9.519 660 HB3 ALA 88 HB3 ALA 88 3.656 -4.310 -11.138 661 H GLU 89 H GLU 89 4.218 -7.545 -11.143 662 HA GLU 89 HA GLU 89 2.303 -7.506 -13.209 663 HB2 GLU 89 HB2 GLU 89 4.586 -8.480 -13.407 664 HB3 GLU 89 HB3 GLU 89 4.071 -9.818 -12.381 665 HG2 GLU 89 HG2 GLU 89 2.258 -10.327 -14.017 666 HG3 GLU 89 HG3 GLU 89 2.884 -9.055 -15.063 667 H ASN 90 H ASN 90 2.521 -9.365 -10.222 668 HA ASN 90 HA ASN 90 0.523 -11.263 -10.724 669 HB2 ASN 90 HB2 ASN 90 1.346 -9.952 -8.124 670 HB3 ASN 90 HB3 ASN 90 0.306 -11.370 -8.242 671 HD21 ASN 90 HD21 ASN 90 2.836 -11.495 -6.904 672 HD22 ASN 90 HD22 ASN 90 3.867 -12.494 -7.810 673 H LEU 91 H LEU 91 0.318 -7.934 -9.556 674 HA LEU 91 HA LEU 91 -2.404 -7.932 -8.832 675 HB2 LEU 91 HB2 LEU 91 -0.783 -6.127 -8.268 676 HB3 LEU 91 HB3 LEU 91 -0.795 -5.629 -9.960 677 HG LEU 91 HG LEU 91 -3.286 -5.327 -9.789 678 HD11 LEU 91 HD11 LEU 91 -2.659 -6.180 -6.984 679 HD12 LEU 91 HD12 LEU 91 -4.047 -6.586 -7.992 680 HD13 LEU 91 HD13 LEU 91 -3.940 -4.996 -7.239 681 HD21 LEU 91 HD21 LEU 91 -1.901 -3.366 -9.615 682 HD22 LEU 91 HD22 LEU 91 -1.467 -3.751 -7.949 683 HD23 LEU 91 HD23 LEU 91 -3.112 -3.251 -8.339 684 H VAL 92 H VAL 92 -0.794 -7.366 -11.931 685 HA VAL 92 HA VAL 92 -3.074 -6.520 -13.372 686 HB VAL 92 HB VAL 92 -0.541 -7.901 -14.285 687 HG11 VAL 92 HG11 VAL 92 -3.006 -7.128 -15.716 688 HG12 VAL 92 HG12 VAL 92 -1.739 -8.259 -16.188 689 HG13 VAL 92 HG13 VAL 92 -1.516 -6.529 -16.446 690 HG21 VAL 92 HG21 VAL 92 -1.348 -5.021 -14.687 691 HG22 VAL 92 HG22 VAL 92 0.265 -5.731 -14.749 692 HG23 VAL 92 HG23 VAL 92 -0.554 -5.538 -13.199 693 H LEU 93 H LEU 93 -1.653 -9.728 -12.845 694 HA LEU 93 HA LEU 93 -3.412 -11.164 -14.527 695 HB2 LEU 93 HB2 LEU 93 -1.990 -12.123 -12.030 696 HB3 LEU 93 HB3 LEU 93 -2.654 -13.143 -13.306 697 HG LEU 93 HG LEU 93 -0.425 -11.110 -13.629 698 HD11 LEU 93 HD11 LEU 93 0.526 -13.554 -14.427 699 HD12 LEU 93 HD12 LEU 93 -0.536 -14.011 -13.095 700 HD13 LEU 93 HD13 LEU 93 0.778 -12.865 -12.824 701 HD21 LEU 93 HD21 LEU 93 -0.356 -12.476 -15.914 702 HD22 LEU 93 HD22 LEU 93 -1.418 -11.079 -15.727 703 HD23 LEU 93 HD23 LEU 93 -2.068 -12.710 -15.558 704 H THR 94 H THR 94 -3.633 -10.164 -11.151 705 HA THR 94 HA THR 94 -5.833 -11.719 -10.375 706 HB THR 94 HB THR 94 -5.173 -8.908 -9.467 707 HG1 THR 94 HG1 THR 94 -3.403 -9.944 -8.937 708 HG21 THR 94 HG21 THR 94 -6.841 -11.162 -8.356 709 HG22 THR 94 HG22 THR 94 -7.303 -9.480 -8.614 710 HG23 THR 94 HG23 THR 94 -6.188 -9.898 -7.313 711 H LEU 95 H LEU 95 -5.688 -8.546 -11.953 712 HA LEU 95 HA LEU 95 -8.457 -7.999 -11.902 713 HB2 LEU 95 HB2 LEU 95 -6.395 -7.109 -13.933 714 HB3 LEU 95 HB3 LEU 95 -7.971 -6.368 -13.663 715 HG LEU 95 HG LEU 95 -5.719 -6.552 -11.639 716 HD11 LEU 95 HD11 LEU 95 -5.266 -4.867 -13.327 717 HD12 LEU 95 HD12 LEU 95 -5.788 -4.049 -11.855 718 HD13 LEU 95 HD13 LEU 95 -6.910 -4.242 -13.202 719 HD21 LEU 95 HD21 LEU 95 -7.601 -6.580 -10.280 720 HD22 LEU 95 HD22 LEU 95 -8.600 -5.744 -11.468 721 HD23 LEU 95 HD23 LEU 95 -7.420 -4.842 -10.516 722 H GLN 96 H GLN 96 -6.440 -9.834 -14.133 723 HA GLN 96 HA GLN 96 -8.269 -10.116 -16.247 724 HB2 GLN 96 HB2 GLN 96 -6.158 -12.058 -15.278 725 HB3 GLN 96 HB3 GLN 96 -6.961 -12.124 -16.847 726 HG2 GLN 96 HG2 GLN 96 -5.373 -9.742 -15.855 727 HG3 GLN 96 HG3 GLN 96 -4.718 -10.993 -16.911 728 HE21 GLN 96 HE21 GLN 96 -5.188 -10.843 -19.144 729 HE22 GLN 96 HE22 GLN 96 -6.208 -9.664 -19.813 730 H GLU 97 H GLU 97 -7.912 -11.872 -13.215 731 HA GLU 97 HA GLU 97 -9.662 -14.014 -13.783 732 HB2 GLU 97 HB2 GLU 97 -8.960 -12.697 -11.148 733 HB3 GLU 97 HB3 GLU 97 -9.828 -14.225 -11.306 734 HG2 GLU 97 HG2 GLU 97 -7.908 -15.161 -12.574 735 HG3 GLU 97 HG3 GLU 97 -7.035 -13.648 -12.336 736 H LEU 98 H LEU 98 -10.208 -10.715 -12.750 737 HA LEU 98 HA LEU 98 -13.000 -11.152 -12.114 738 HB2 LEU 98 HB2 LEU 98 -11.493 -8.551 -12.473 739 HB3 LEU 98 HB3 LEU 98 -13.068 -8.756 -11.706 740 HG LEU 98 HG LEU 98 -10.440 -9.921 -10.738 741 HD11 LEU 98 HD11 LEU 98 -10.357 -7.750 -9.968 742 HD12 LEU 98 HD12 LEU 98 -11.351 -8.453 -8.693 743 HD13 LEU 98 HD13 LEU 98 -12.109 -7.557 -10.008 744 HD21 LEU 98 HD21 LEU 98 -11.973 -11.532 -10.054 745 HD22 LEU 98 HD22 LEU 98 -13.305 -10.378 -9.980 746 HD23 LEU 98 HD23 LEU 98 -12.082 -10.396 -8.710 747 H ASN 99 H ASN 99 -11.394 -11.122 -14.955 748 HA ASN 99 HA ASN 99 -12.028 -10.841 -17.145 749 HB2 ASN 99 HB2 ASN 99 -14.095 -12.025 -16.163 750 HB3 ASN 99 HB3 ASN 99 -14.848 -10.430 -16.169 751 HD21 ASN 99 HD21 ASN 99 -16.228 -11.916 -17.816 752 HD22 ASN 99 HD22 ASN 99 -15.766 -11.763 -19.443 753 H VAL 100 H VAL 100 -10.952 -8.629 -16.059 754 HA VAL 100 HA VAL 100 -12.728 -6.385 -16.765 755 HB VAL 100 HB VAL 100 -10.059 -6.355 -15.334 756 HG11 VAL 100 HG11 VAL 100 -10.634 -4.268 -16.554 757 HG12 VAL 100 HG12 VAL 100 -10.657 -4.036 -14.806 758 HG13 VAL 100 HG13 VAL 100 -12.172 -4.207 -15.693 759 HG21 VAL 100 HG21 VAL 100 -11.190 -6.436 -13.328 760 HG22 VAL 100 HG22 VAL 100 -12.318 -7.385 -14.296 761 HG23 VAL 100 HG23 VAL 100 -12.637 -5.678 -13.993 762 H SER 101 H SER 101 -12.264 -5.019 -18.427 763 HA SER 101 HA SER 101 -10.754 -5.891 -20.598 764 HB2 SER 101 HB2 SER 101 -12.525 -4.168 -20.736 765 HB3 SER 101 HB3 SER 101 -11.469 -3.034 -19.899 766 HG SER 101 HG SER 101 -11.088 -4.269 -22.424 767 H GLN 102 H GLN 102 -8.709 -5.545 -21.319 768 HA GLN 102 HA GLN 102 -6.632 -5.165 -19.479 769 HB2 GLN 102 HB2 GLN 102 -6.472 -6.323 -21.709 770 HB3 GLN 102 HB3 GLN 102 -6.454 -4.730 -22.465 771 HG2 GLN 102 HG2 GLN 102 -4.166 -5.275 -22.222 772 HG3 GLN 102 HG3 GLN 102 -4.499 -4.200 -20.865 773 HE21 GLN 102 HE21 GLN 102 -6.122 -6.832 -19.896 774 HE22 GLN 102 HE22 GLN 102 -4.895 -7.688 -19.095 775 H ASP 103 H ASP 103 -8.233 -2.878 -21.647 776 HA ASP 103 HA ASP 103 -6.448 -0.744 -21.480 777 HB2 ASP 103 HB2 ASP 103 -9.463 -0.742 -21.693 778 HB3 ASP 103 HB3 ASP 103 -8.462 0.693 -21.898 779 H LEU 104 H LEU 104 -9.105 -1.634 -19.291 780 HA LEU 104 HA LEU 104 -8.818 0.612 -17.571 781 HB2 LEU 104 HB2 LEU 104 -9.943 -2.135 -16.971 782 HB3 LEU 104 HB3 LEU 104 -10.177 -0.690 -15.990 783 HG LEU 104 HG LEU 104 -11.067 -1.035 -18.869 784 HD11 LEU 104 HD11 LEU 104 -13.177 -0.427 -17.040 785 HD12 LEU 104 HD12 LEU 104 -12.267 -1.790 -16.388 786 HD13 LEU 104 HD13 LEU 104 -12.962 -1.886 -18.006 787 HD21 LEU 104 HD21 LEU 104 -12.350 1.159 -18.043 788 HD22 LEU 104 HD22 LEU 104 -10.732 1.252 -18.739 789 HD23 LEU 104 HD23 LEU 104 -10.942 1.287 -16.989 790 H ILE 105 H ILE 105 -7.377 -2.603 -17.644 791 HA ILE 105 HA ILE 105 -6.155 -2.577 -15.111 792 HB ILE 105 HB ILE 105 -5.219 -3.905 -17.666 793 HG12 ILE 105 HG12 ILE 105 -6.883 -4.983 -15.368 794 HG13 ILE 105 HG13 ILE 105 -7.542 -4.483 -16.926 795 HG21 ILE 105 HG21 ILE 105 -4.514 -5.421 -15.414 796 HG22 ILE 105 HG22 ILE 105 -4.113 -3.759 -14.982 797 HG23 ILE 105 HG23 ILE 105 -3.421 -4.484 -16.433 798 HD11 ILE 105 HD11 ILE 105 -6.283 -6.983 -16.214 799 HD12 ILE 105 HD12 ILE 105 -5.382 -6.205 -17.514 800 HD13 ILE 105 HD13 ILE 105 -7.101 -6.544 -17.714 801 H ASP 106 H ASP 106 -5.077 -1.352 -18.252 802 HA ASP 106 HA ASP 106 -2.434 -0.713 -17.577 803 HB2 ASP 106 HB2 ASP 106 -4.345 0.617 -19.508 804 HB3 ASP 106 HB3 ASP 106 -2.625 0.990 -19.413 805 H GLU 107 H GLU 107 -5.440 1.108 -17.142 806 HA GLU 107 HA GLU 107 -4.288 3.531 -16.270 807 HB2 GLU 107 HB2 GLU 107 -6.680 3.236 -16.924 808 HB3 GLU 107 HB3 GLU 107 -6.943 2.350 -15.423 809 HG2 GLU 107 HG2 GLU 107 -7.592 4.643 -15.038 810 HG3 GLU 107 HG3 GLU 107 -6.080 4.365 -14.177 811 H VAL 108 H VAL 108 -5.137 0.562 -14.570 812 HA VAL 108 HA VAL 108 -4.780 1.512 -11.932 813 HB VAL 108 HB VAL 108 -4.496 -1.263 -13.103 814 HG11 VAL 108 HG11 VAL 108 -4.864 -1.919 -10.651 815 HG12 VAL 108 HG12 VAL 108 -4.435 -0.255 -10.252 816 HG13 VAL 108 HG13 VAL 108 -3.264 -1.297 -11.062 817 HG21 VAL 108 HG21 VAL 108 -6.712 -0.274 -11.329 818 HG22 VAL 108 HG22 VAL 108 -6.742 -1.567 -12.527 819 HG23 VAL 108 HG23 VAL 108 -6.739 0.119 -13.048 820 H VAL 109 H VAL 109 -2.548 0.107 -14.286 821 HA VAL 109 HA VAL 109 -0.321 -0.220 -12.609 822 HB VAL 109 HB VAL 109 -0.505 0.375 -15.567 823 HG11 VAL 109 HG11 VAL 109 1.690 1.016 -15.105 824 HG12 VAL 109 HG12 VAL 109 1.888 -0.710 -15.406 825 HG13 VAL 109 HG13 VAL 109 1.838 -0.104 -13.751 826 HG21 VAL 109 HG21 VAL 109 0.501 -2.220 -14.813 827 HG22 VAL 109 HG22 VAL 109 -0.940 -1.829 -15.751 828 HG23 VAL 109 HG23 VAL 109 -1.032 -1.925 -13.993 829 H THR 110 H THR 110 -1.426 2.579 -14.484 830 HA THR 110 HA THR 110 0.792 4.246 -14.037 831 HB THR 110 HB THR 110 -2.101 5.078 -14.351 832 HG1 THR 110 HG1 THR 110 -0.103 4.746 -16.329 833 HG21 THR 110 HG21 THR 110 0.551 6.475 -14.539 834 HG22 THR 110 HG22 THR 110 -0.939 7.018 -13.768 835 HG23 THR 110 HG23 THR 110 -0.802 7.028 -15.526 836 H ILE 111 H ILE 111 -2.162 3.739 -12.138 837 HA ILE 111 HA ILE 111 -1.779 5.778 -10.249 838 HB ILE 111 HB ILE 111 -3.082 3.071 -9.878 839 HG12 ILE 111 HG12 ILE 111 -4.281 5.770 -10.579 840 HG13 ILE 111 HG13 ILE 111 -3.989 4.479 -11.744 841 HG21 ILE 111 HG21 ILE 111 -4.345 4.307 -8.083 842 HG22 ILE 111 HG22 ILE 111 -3.219 5.649 -8.289 843 HG23 ILE 111 HG23 ILE 111 -2.632 4.085 -7.725 844 HD11 ILE 111 HD11 ILE 111 -5.408 2.978 -10.255 845 HD12 ILE 111 HD12 ILE 111 -6.281 4.271 -11.077 846 HD13 ILE 111 HD13 ILE 111 -5.865 4.433 -9.370 847 H VAL 112 H VAL 112 -0.831 2.341 -10.090 848 HA VAL 112 HA VAL 112 0.645 2.754 -7.637 849 HB VAL 112 HB VAL 112 1.218 0.392 -7.829 850 HG11 VAL 112 HG11 VAL 112 -1.624 1.210 -8.419 851 HG12 VAL 112 HG12 VAL 112 -0.926 0.683 -6.887 852 HG13 VAL 112 HG13 VAL 112 -1.200 -0.485 -8.180 853 HG21 VAL 112 HG21 VAL 112 0.149 0.788 -10.621 854 HG22 VAL 112 HG22 VAL 112 0.159 -0.810 -9.875 855 HG23 VAL 112 HG23 VAL 112 1.675 0.058 -10.122 856 H GLY 113 H GLY 113 1.285 2.876 -11.025 857 HA2 GLY 113 HA2 GLY 113 4.136 2.456 -10.811 858 HA3 GLY 113 HA3 GLY 113 3.259 2.985 -12.243 859 H SER 114 H SER 114 4.494 4.087 -9.106 860 HA SER 114 HA SER 114 4.707 6.810 -10.248 861 HB2 SER 114 HB2 SER 114 4.282 6.034 -7.353 862 HB3 SER 114 HB3 SER 114 4.470 7.677 -7.960 863 HG SER 114 HG SER 114 2.245 6.583 -7.674 864 H VAL 115 H VAL 115 6.639 7.865 -10.033 865 HA VAL 115 HA VAL 115 8.981 6.301 -9.651 866 HB VAL 115 HB VAL 115 8.582 9.291 -9.865 867 HG11 VAL 115 HG11 VAL 115 11.001 7.601 -9.427 868 HG12 VAL 115 HG12 VAL 115 10.678 9.256 -8.909 869 HG13 VAL 115 HG13 VAL 115 11.141 8.929 -10.579 870 HG21 VAL 115 HG21 VAL 115 7.964 8.039 -11.877 871 HG22 VAL 115 HG22 VAL 115 9.488 7.154 -11.821 872 HG23 VAL 115 HG23 VAL 115 9.485 8.885 -12.156 873 H GLN 116 H GLN 116 7.340 8.726 -7.644 874 HA GLN 116 HA GLN 116 9.261 8.918 -5.611 875 HB2 GLN 116 HB2 GLN 116 7.282 10.423 -5.907 876 HB3 GLN 116 HB3 GLN 116 6.263 9.130 -5.272 877 HG2 GLN 116 HG2 GLN 116 6.772 10.532 -3.407 878 HG3 GLN 116 HG3 GLN 116 7.792 9.106 -3.230 879 HE21 GLN 116 HE21 GLN 116 9.939 9.594 -2.780 880 HE22 GLN 116 HE22 GLN 116 10.727 11.028 -3.231 881 H HIS 117 H HIS 117 6.480 6.711 -5.935 882 HA HIS 117 HA HIS 117 6.834 5.432 -3.433 883 HB2 HIS 117 HB2 HIS 117 4.777 5.329 -4.913 884 HB3 HIS 117 HB3 HIS 117 5.652 4.160 -5.903 885 HD1 HIS 117 HD1 HIS 117 5.877 4.339 -2.135 886 HD2 HIS 117 HD2 HIS 117 4.229 1.876 -5.065 887 HE1 HIS 117 HE1 HIS 117 5.045 2.273 -0.939 888 H ARG 118 H ARG 118 7.932 4.581 -6.708 889 HA ARG 118 HA ARG 118 9.231 2.177 -6.039 890 HB2 ARG 118 HB2 ARG 118 8.724 2.919 -8.358 891 HB3 ARG 118 HB3 ARG 118 9.982 4.145 -8.213 892 HG2 ARG 118 HG2 ARG 118 11.652 2.364 -7.780 893 HG3 ARG 118 HG3 ARG 118 10.388 1.148 -7.980 894 HD2 ARG 118 HD2 ARG 118 9.970 2.023 -10.281 895 HD3 ARG 118 HD3 ARG 118 11.329 3.125 -10.076 896 HE ARG 118 HE ARG 118 11.477 0.224 -10.436 897 HH11 ARG 118 HH11 ARG 118 13.035 3.221 -9.672 898 HH12 ARG 118 HH12 ARG 118 14.626 2.644 -10.040 899 HH21 ARG 118 HH21 ARG 118 13.559 -0.534 -10.924 900 HH22 ARG 118 HH22 ARG 118 14.923 0.520 -10.748 901 H ASN 119 H ASN 119 10.403 5.521 -6.150 902 HA ASN 119 HA ASN 119 13.106 4.980 -5.544 903 HB2 ASN 119 HB2 ASN 119 11.429 7.440 -5.006 904 HB3 ASN 119 HB3 ASN 119 13.183 7.370 -4.848 905 HD21 ASN 119 HD21 ASN 119 11.929 9.127 -6.734 906 HD22 ASN 119 HD22 ASN 119 12.308 8.584 -8.297 907 H ASP 120 H ASP 120 10.269 5.473 -3.512 908 HA ASP 120 HA ASP 120 11.541 5.801 -1.040 909 HB2 ASP 120 HB2 ASP 120 8.882 4.536 -1.722 910 HB3 ASP 120 HB3 ASP 120 9.406 4.899 -0.078 911 H VAL 121 H VAL 121 10.686 2.857 -2.813 912 HA VAL 121 HA VAL 121 11.274 1.007 -0.768 913 HB VAL 121 HB VAL 121 11.395 0.752 -3.779 914 HG11 VAL 121 HG11 VAL 121 11.739 -1.299 -1.580 915 HG12 VAL 121 HG12 VAL 121 12.835 -0.958 -2.920 916 HG13 VAL 121 HG13 VAL 121 11.282 -1.737 -3.227 917 HG21 VAL 121 HG21 VAL 121 9.209 -0.042 -3.635 918 HG22 VAL 121 HG22 VAL 121 9.207 1.165 -2.348 919 HG23 VAL 121 HG23 VAL 121 9.396 -0.545 -1.955 920 H LEU 122 H LEU 122 13.298 2.424 -3.314 921 HA LEU 122 HA LEU 122 15.648 0.962 -2.708 922 HB2 LEU 122 HB2 LEU 122 15.318 3.670 -4.020 923 HB3 LEU 122 HB3 LEU 122 16.808 2.726 -4.007 924 HG LEU 122 HG LEU 122 14.165 1.778 -5.159 925 HD11 LEU 122 HD11 LEU 122 16.711 2.633 -6.573 926 HD12 LEU 122 HD12 LEU 122 15.256 3.623 -6.453 927 HD13 LEU 122 HD13 LEU 122 15.214 2.098 -7.338 928 HD21 LEU 122 HD21 LEU 122 15.207 -0.222 -4.754 929 HD22 LEU 122 HD22 LEU 122 16.802 0.521 -4.624 930 HD23 LEU 122 HD23 LEU 122 16.109 0.193 -6.211 931 H ASN 123 H ASN 123 14.216 3.845 -1.356 932 HA ASN 123 HA ASN 123 14.770 5.137 0.457 933 HB2 ASN 123 HB2 ASN 123 16.584 2.812 1.149 934 HB3 ASN 123 HB3 ASN 123 16.085 4.100 2.243 935 HD21 ASN 123 HD21 ASN 123 15.472 1.003 1.981 936 HD22 ASN 123 HD22 ASN 123 13.792 0.950 2.219 937 H ARG 124 H ARG 124 16.053 5.740 -1.910 938 HA ARG 124 HA ARG 124 18.789 5.879 -2.024 939 HB2 ARG 124 HB2 ARG 124 16.781 8.019 -2.770 940 HB3 ARG 124 HB3 ARG 124 18.477 8.029 -3.258 941 HG2 ARG 124 HG2 ARG 124 18.137 5.798 -4.331 942 HG3 ARG 124 HG3 ARG 124 16.422 5.904 -3.933 943 HD2 ARG 124 HD2 ARG 124 17.974 7.827 -5.687 944 HD3 ARG 124 HD3 ARG 124 16.781 6.652 -6.234 945 HE ARG 124 HE ARG 124 15.592 8.335 -4.299 946 HH11 ARG 124 HH11 ARG 124 16.860 8.365 -7.519 947 HH12 ARG 124 HH12 ARG 124 15.820 9.637 -8.065 948 HH21 ARG 124 HH21 ARG 124 14.224 10.003 -5.007 949 HH22 ARG 124 HH22 ARG 124 14.327 10.564 -6.643 950 HHA HEB 125 HHA HEB 125 4.360 -2.468 6.743 951 HHB HEB 125 HHB HEB 125 2.174 1.341 2.185 952 HHC HEB 125 HHC HEB 125 5.523 -1.910 -2.114 953 HHD HEB 125 HHD HEB 125 7.641 -5.736 2.415 954 HMA1 HEB 125 HMA1 HEB 125 2.063 2.429 4.899 955 HMA2 HEB 125 HMA2 HEB 125 0.950 1.358 5.746 956 HMA3 HEB 125 HMA3 HEB 125 0.848 1.522 3.997 957 HAA1 HEB 125 HAA1 HEB 125 2.357 0.655 7.352 958 HAA2 HEB 125 HAA2 HEB 125 3.563 -0.576 7.670 959 HBA1 HEB 125 HBA1 HEB 125 1.915 -2.336 7.433 960 HBA2 HEB 125 HBA2 HEB 125 0.693 -1.175 6.918 961 HMB1 HEB 125 HMB1 HEB 125 2.418 2.613 0.304 962 HMB2 HEB 125 HMB2 HEB 125 1.208 1.570 -0.442 963 HMB3 HEB 125 HMB3 HEB 125 2.468 2.308 -1.431 964 HAB2 HEB 125 HAB2 HEB 125 4.377 -0.450 -3.156 965 HBB1 HEB 125 HBB1 HEB 125 1.703 -0.061 -2.474 966 HBB2 HEB 125 HBB2 HEB 125 2.355 -0.294 -4.096 967 HBB3 HEB 125 HBB3 HEB 125 2.122 1.336 -3.468 968 HMC1 HEB 125 HMC1 HEB 125 6.299 -3.977 -3.046 969 HMC2 HEB 125 HMC2 HEB 125 7.748 -4.912 -2.676 970 HMC3 HEB 125 HMC3 HEB 125 7.827 -3.152 -2.741 971 HAC HEB 125 HAC HEB 125 9.210 -5.747 0.150 972 HBC1 HEB 125 HBC1 HEB 125 6.756 -7.078 -1.176 973 HBC2 HEB 125 HBC2 HEB 125 8.441 -7.820 -0.934 974 HMD1 HEB 125 HMD1 HEB 125 8.276 -6.404 4.368 975 HMD2 HEB 125 HMD2 HEB 125 6.968 -7.136 5.287 976 HMD3 HEB 125 HMD3 HEB 125 8.136 -6.083 6.083 977 HAD1 HEB 125 HAD1 HEB 125 6.097 -3.704 7.797 978 HAD2 HEB 125 HAD2 HEB 125 6.627 -5.358 7.550 979 HBD1 HEB 125 HBD1 HEB 125 4.461 -6.199 7.530 980 HBD2 HEB 125 HBD2 HEB 125 3.756 -4.651 7.071 Start of MODEL 5 1 H1 ALA 2 H1 ALA 2 -14.581 5.635 2.286 2 H2 ALA 2 H2 ALA 2 -14.830 6.797 1.073 3 H3 ALA 2 H3 ALA 2 -14.307 7.276 2.616 4 HA ALA 2 HA ALA 2 -12.750 6.605 0.400 5 HB1 ALA 2 HB1 ALA 2 -12.370 8.352 2.186 6 HB2 ALA 2 HB2 ALA 2 -10.953 7.368 1.822 7 HB3 ALA 2 HB3 ALA 2 -11.898 7.047 3.275 8 H SER 3 H SER 3 -14.217 4.263 1.367 9 HA SER 3 HA SER 3 -11.924 2.517 2.044 10 HB2 SER 3 HB2 SER 3 -13.495 1.042 3.192 11 HB3 SER 3 HB3 SER 3 -13.590 2.665 3.871 12 HG SER 3 HG SER 3 -15.500 1.198 2.680 13 H LEU 4 H LEU 4 -11.812 0.500 1.020 14 HA LEU 4 HA LEU 4 -12.597 0.424 -1.684 15 HB2 LEU 4 HB2 LEU 4 -10.671 -0.834 -0.710 16 HB3 LEU 4 HB3 LEU 4 -11.822 -1.917 0.070 17 HG LEU 4 HG LEU 4 -12.792 -2.412 -2.202 18 HD11 LEU 4 HD11 LEU 4 -12.221 -0.944 -3.827 19 HD12 LEU 4 HD12 LEU 4 -10.685 -1.809 -3.901 20 HD13 LEU 4 HD13 LEU 4 -10.832 -0.352 -2.919 21 HD21 LEU 4 HD21 LEU 4 -11.262 -4.008 -1.249 22 HD22 LEU 4 HD22 LEU 4 -9.871 -3.005 -1.661 23 HD23 LEU 4 HD23 LEU 4 -10.798 -3.796 -2.937 24 H TYR 5 H TYR 5 -14.068 -0.876 1.232 25 HA TYR 5 HA TYR 5 -15.891 -2.671 0.182 26 HB2 TYR 5 HB2 TYR 5 -15.769 -2.575 2.522 27 HB3 TYR 5 HB3 TYR 5 -16.000 -0.828 2.555 28 HD1 TYR 5 HD1 TYR 5 -17.891 -3.554 0.786 29 HD2 TYR 5 HD2 TYR 5 -17.992 -0.378 3.677 30 HE1 TYR 5 HE1 TYR 5 -20.338 -3.857 1.037 31 HE2 TYR 5 HE2 TYR 5 -20.439 -0.685 3.928 32 HH TYR 5 HH TYR 5 -22.283 -2.583 1.764 33 H GLU 6 H GLU 6 -16.197 0.860 0.450 34 HA GLU 6 HA GLU 6 -18.880 0.952 -0.489 35 HB2 GLU 6 HB2 GLU 6 -18.705 3.232 -0.291 36 HB3 GLU 6 HB3 GLU 6 -17.352 2.757 0.732 37 HG2 GLU 6 HG2 GLU 6 -16.399 4.380 -0.665 38 HG3 GLU 6 HG3 GLU 6 -15.952 2.876 -1.461 39 H LYS 7 H LYS 7 -15.760 0.909 -2.091 40 HA LYS 7 HA LYS 7 -16.618 1.803 -4.634 41 HB2 LYS 7 HB2 LYS 7 -14.238 1.652 -3.899 42 HB3 LYS 7 HB3 LYS 7 -14.355 -0.103 -3.995 43 HG2 LYS 7 HG2 LYS 7 -13.430 0.486 -6.076 44 HG3 LYS 7 HG3 LYS 7 -15.142 0.300 -6.443 45 HD2 LYS 7 HD2 LYS 7 -15.492 2.687 -6.375 46 HD3 LYS 7 HD3 LYS 7 -13.869 2.959 -5.741 47 HE2 LYS 7 HE2 LYS 7 -13.047 1.799 -7.903 48 HE3 LYS 7 HE3 LYS 7 -14.680 2.072 -8.508 49 HZ1 LYS 7 HZ1 LYS 7 -14.363 4.453 -7.869 50 HZ2 LYS 7 HZ2 LYS 7 -13.384 3.920 -9.152 51 HZ3 LYS 7 HZ3 LYS 7 -12.725 4.104 -7.597 52 H LEU 8 H LEU 8 -16.047 -1.515 -3.433 53 HA LEU 8 HA LEU 8 -17.147 -2.740 -5.772 54 HB2 LEU 8 HB2 LEU 8 -16.666 -3.920 -3.024 55 HB3 LEU 8 HB3 LEU 8 -16.963 -4.831 -4.505 56 HG LEU 8 HG LEU 8 -14.612 -2.985 -3.986 57 HD11 LEU 8 HD11 LEU 8 -13.574 -4.820 -3.203 58 HD12 LEU 8 HD12 LEU 8 -13.914 -5.665 -4.714 59 HD13 LEU 8 HD13 LEU 8 -15.071 -5.735 -3.385 60 HD21 LEU 8 HD21 LEU 8 -15.653 -4.373 -6.433 61 HD22 LEU 8 HD22 LEU 8 -13.908 -4.226 -6.220 62 HD23 LEU 8 HD23 LEU 8 -14.913 -2.778 -6.285 63 H GLY 9 H GLY 9 -18.415 -1.902 -2.589 64 HA2 GLY 9 HA2 GLY 9 -20.672 -1.432 -2.114 65 HA3 GLY 9 HA3 GLY 9 -21.133 -2.223 -3.618 66 H GLY 10 H GLY 10 -18.900 -4.132 -2.043 67 HA2 GLY 10 HA2 GLY 10 -20.873 -5.553 -0.395 68 HA3 GLY 10 HA3 GLY 10 -20.109 -6.436 -1.713 69 H ALA 11 H ALA 11 -19.836 -5.465 1.523 70 HA ALA 11 HA ALA 11 -17.022 -5.431 1.847 71 HB1 ALA 11 HB1 ALA 11 -19.207 -4.980 3.476 72 HB2 ALA 11 HB2 ALA 11 -17.523 -5.008 4.001 73 HB3 ALA 11 HB3 ALA 11 -18.515 -6.460 4.140 74 H ALA 12 H ALA 12 -19.426 -8.024 1.991 75 HA ALA 12 HA ALA 12 -17.694 -10.048 2.950 76 HB1 ALA 12 HB1 ALA 12 -19.606 -11.212 2.954 77 HB2 ALA 12 HB2 ALA 12 -19.701 -11.126 1.195 78 HB3 ALA 12 HB3 ALA 12 -20.404 -9.843 2.181 79 H ALA 13 H ALA 13 -18.533 -8.972 -0.318 80 HA ALA 13 HA ALA 13 -17.167 -11.023 -1.714 81 HB1 ALA 13 HB1 ALA 13 -17.573 -9.772 -3.647 82 HB2 ALA 13 HB2 ALA 13 -17.469 -8.234 -2.791 83 HB3 ALA 13 HB3 ALA 13 -18.882 -9.269 -2.576 84 H VAL 14 H VAL 14 -16.119 -8.009 -0.278 85 HA VAL 14 HA VAL 14 -13.659 -7.696 -1.603 86 HB VAL 14 HB VAL 14 -14.491 -6.920 1.200 87 HG11 VAL 14 HG11 VAL 14 -12.000 -6.403 -0.407 88 HG12 VAL 14 HG12 VAL 14 -12.151 -6.832 1.296 89 HG13 VAL 14 HG13 VAL 14 -12.565 -5.205 0.758 90 HG21 VAL 14 HG21 VAL 14 -15.330 -4.997 0.278 91 HG22 VAL 14 HG22 VAL 14 -15.489 -6.013 -1.155 92 HG23 VAL 14 HG23 VAL 14 -14.097 -4.944 -0.982 93 H ASP 15 H ASP 15 -14.520 -9.533 1.308 94 HA ASP 15 HA ASP 15 -11.939 -10.264 2.112 95 HB2 ASP 15 HB2 ASP 15 -14.569 -11.725 2.388 96 HB3 ASP 15 HB3 ASP 15 -13.082 -12.220 3.195 97 H LEU 16 H LEU 16 -14.143 -11.814 -0.199 98 HA LEU 16 HA LEU 16 -12.515 -14.091 -0.671 99 HB2 LEU 16 HB2 LEU 16 -14.733 -12.775 -2.230 100 HB3 LEU 16 HB3 LEU 16 -13.881 -14.187 -2.851 101 HG LEU 16 HG LEU 16 -16.022 -14.650 -1.523 102 HD11 LEU 16 HD11 LEU 16 -13.474 -15.973 -1.519 103 HD12 LEU 16 HD12 LEU 16 -15.082 -16.688 -1.405 104 HD13 LEU 16 HD13 LEU 16 -14.229 -16.196 0.058 105 HD21 LEU 16 HD21 LEU 16 -15.431 -12.921 0.245 106 HD22 LEU 16 HD22 LEU 16 -14.226 -14.062 0.844 107 HD23 LEU 16 HD23 LEU 16 -15.936 -14.491 0.870 108 H ALA 17 H ALA 17 -12.700 -10.898 -2.171 109 HA ALA 17 HA ALA 17 -11.020 -11.422 -4.380 110 HB1 ALA 17 HB1 ALA 17 -11.485 -8.836 -2.876 111 HB2 ALA 17 HB2 ALA 17 -12.411 -9.416 -4.259 112 HB3 ALA 17 HB3 ALA 17 -10.717 -8.968 -4.458 113 H VAL 18 H VAL 18 -10.338 -10.422 -1.062 114 HA VAL 18 HA VAL 18 -7.586 -9.870 -1.412 115 HB VAL 18 HB VAL 18 -9.165 -10.716 1.024 116 HG11 VAL 18 HG11 VAL 18 -7.097 -9.662 2.186 117 HG12 VAL 18 HG12 VAL 18 -6.267 -9.961 0.658 118 HG13 VAL 18 HG13 VAL 18 -6.947 -11.308 1.572 119 HG21 VAL 18 HG21 VAL 18 -9.735 -8.537 1.144 120 HG22 VAL 18 HG22 VAL 18 -9.002 -8.303 -0.444 121 HG23 VAL 18 HG23 VAL 18 -8.045 -8.050 1.015 122 H GLU 19 H GLU 19 -9.346 -12.832 -0.595 123 HA GLU 19 HA GLU 19 -7.107 -14.436 0.013 124 HB2 GLU 19 HB2 GLU 19 -9.822 -15.188 -1.092 125 HB3 GLU 19 HB3 GLU 19 -8.634 -16.346 -0.494 126 HG2 GLU 19 HG2 GLU 19 -8.647 -15.193 1.706 127 HG3 GLU 19 HG3 GLU 19 -9.890 -14.099 1.104 128 H LYS 20 H LYS 20 -8.700 -13.672 -3.052 129 HA LYS 20 HA LYS 20 -7.401 -15.578 -4.662 130 HB2 LYS 20 HB2 LYS 20 -8.430 -12.815 -5.345 131 HB3 LYS 20 HB3 LYS 20 -7.909 -14.006 -6.537 132 HG2 LYS 20 HG2 LYS 20 -9.596 -15.602 -5.626 133 HG3 LYS 20 HG3 LYS 20 -10.160 -14.338 -4.534 134 HD2 LYS 20 HD2 LYS 20 -10.631 -12.895 -6.524 135 HD3 LYS 20 HD3 LYS 20 -10.194 -14.251 -7.564 136 HE2 LYS 20 HE2 LYS 20 -12.008 -15.331 -5.725 137 HE3 LYS 20 HE3 LYS 20 -12.683 -13.757 -6.145 138 HZ1 LYS 20 HZ1 LYS 20 -11.705 -15.664 -8.187 139 HZ2 LYS 20 HZ2 LYS 20 -12.685 -14.296 -8.415 140 HZ3 LYS 20 HZ3 LYS 20 -13.308 -15.670 -7.634 141 H PHE 21 H PHE 21 -6.472 -12.290 -3.719 142 HA PHE 21 HA PHE 21 -4.130 -12.148 -5.311 143 HB2 PHE 21 HB2 PHE 21 -5.253 -10.180 -4.268 144 HB3 PHE 21 HB3 PHE 21 -4.679 -10.733 -2.693 145 HD1 PHE 21 HD1 PHE 21 -2.303 -10.674 -2.118 146 HD2 PHE 21 HD2 PHE 21 -3.699 -9.313 -5.945 147 HE1 PHE 21 HE1 PHE 21 -0.111 -9.588 -2.531 148 HE2 PHE 21 HE2 PHE 21 -1.507 -8.228 -6.359 149 HZ PHE 21 HZ PHE 21 0.286 -8.365 -4.651 150 H TYR 22 H TYR 22 -4.698 -13.139 -1.952 151 HA TYR 22 HA TYR 22 -2.043 -13.534 -1.172 152 HB2 TYR 22 HB2 TYR 22 -3.972 -13.577 0.378 153 HB3 TYR 22 HB3 TYR 22 -4.470 -15.123 -0.311 154 HD1 TYR 22 HD1 TYR 22 -1.820 -13.391 1.620 155 HD2 TYR 22 HD2 TYR 22 -3.318 -17.167 0.224 156 HE1 TYR 22 HE1 TYR 22 -0.252 -14.573 3.134 157 HE2 TYR 22 HE2 TYR 22 -1.748 -18.349 1.738 158 HH TYR 22 HH TYR 22 -0.431 -18.027 3.632 159 H GLY 23 H GLY 23 -4.296 -15.724 -2.820 160 HA2 GLY 23 HA2 GLY 23 -2.771 -18.062 -2.759 161 HA3 GLY 23 HA3 GLY 23 -3.918 -17.648 -4.031 162 H LYS 24 H LYS 24 -2.689 -15.343 -5.040 163 HA LYS 24 HA LYS 24 -0.817 -16.440 -6.845 164 HB2 LYS 24 HB2 LYS 24 -1.399 -13.555 -6.128 165 HB3 LYS 24 HB3 LYS 24 -0.418 -14.067 -7.503 166 HG2 LYS 24 HG2 LYS 24 -2.363 -15.386 -8.349 167 HG3 LYS 24 HG3 LYS 24 -3.336 -14.740 -7.027 168 HD2 LYS 24 HD2 LYS 24 -2.851 -12.433 -7.844 169 HD3 LYS 24 HD3 LYS 24 -1.987 -13.132 -9.216 170 HE2 LYS 24 HE2 LYS 24 -4.925 -13.159 -8.614 171 HE3 LYS 24 HE3 LYS 24 -4.101 -12.837 -10.140 172 HZ1 LYS 24 HZ1 LYS 24 -4.330 -15.473 -8.792 173 HZ2 LYS 24 HZ2 LYS 24 -3.463 -15.181 -10.224 174 HZ3 LYS 24 HZ3 LYS 24 -5.150 -14.991 -10.196 175 H VAL 25 H VAL 25 -0.434 -14.549 -3.881 176 HA VAL 25 HA VAL 25 2.375 -14.186 -4.074 177 HB VAL 25 HB VAL 25 0.520 -14.202 -1.683 178 HG11 VAL 25 HG11 VAL 25 2.533 -14.488 -0.602 179 HG12 VAL 25 HG12 VAL 25 2.620 -12.746 -0.867 180 HG13 VAL 25 HG13 VAL 25 3.469 -13.847 -1.952 181 HG21 VAL 25 HG21 VAL 25 0.084 -12.046 -2.218 182 HG22 VAL 25 HG22 VAL 25 0.804 -12.395 -3.790 183 HG23 VAL 25 HG23 VAL 25 1.789 -11.700 -2.502 184 H LEU 26 H LEU 26 0.351 -16.670 -2.575 185 HA LEU 26 HA LEU 26 2.337 -18.090 -1.207 186 HB2 LEU 26 HB2 LEU 26 -0.112 -18.477 -0.977 187 HB3 LEU 26 HB3 LEU 26 -0.114 -19.227 -2.573 188 HG LEU 26 HG LEU 26 1.615 -20.858 -1.727 189 HD11 LEU 26 HD11 LEU 26 2.623 -19.908 0.144 190 HD12 LEU 26 HD12 LEU 26 1.462 -20.994 0.907 191 HD13 LEU 26 HD13 LEU 26 1.102 -19.273 0.770 192 HD21 LEU 26 HD21 LEU 26 -0.501 -21.817 -1.786 193 HD22 LEU 26 HD22 LEU 26 -1.176 -20.644 -0.655 194 HD23 LEU 26 HD23 LEU 26 -0.141 -21.943 -0.063 195 H ALA 27 H ALA 27 1.314 -18.226 -4.587 196 HA ALA 27 HA ALA 27 2.750 -20.530 -5.340 197 HB1 ALA 27 HB1 ALA 27 2.510 -18.329 -7.315 198 HB2 ALA 27 HB2 ALA 27 1.005 -18.925 -6.615 199 HB3 ALA 27 HB3 ALA 27 2.083 -20.034 -7.465 200 H ASP 28 H ASP 28 3.684 -17.114 -5.198 201 HA ASP 28 HA ASP 28 6.365 -17.745 -6.175 202 HB2 ASP 28 HB2 ASP 28 5.222 -15.689 -6.939 203 HB3 ASP 28 HB3 ASP 28 5.187 -15.107 -5.275 204 H GLU 29 H GLU 29 7.516 -18.809 -4.653 205 HA GLU 29 HA GLU 29 7.358 -18.220 -1.851 206 HB2 GLU 29 HB2 GLU 29 9.336 -19.857 -3.453 207 HB3 GLU 29 HB3 GLU 29 9.301 -19.776 -1.690 208 HG2 GLU 29 HG2 GLU 29 6.953 -20.590 -1.723 209 HG3 GLU 29 HG3 GLU 29 7.048 -20.737 -3.476 210 H ARG 30 H ARG 30 9.315 -17.107 -4.507 211 HA ARG 30 HA ARG 30 11.587 -16.184 -3.206 212 HB2 ARG 30 HB2 ARG 30 10.107 -14.967 -5.546 213 HB3 ARG 30 HB3 ARG 30 11.741 -14.523 -5.053 214 HG2 ARG 30 HG2 ARG 30 12.432 -16.906 -5.331 215 HG3 ARG 30 HG3 ARG 30 10.817 -17.271 -5.941 216 HD2 ARG 30 HD2 ARG 30 12.790 -15.319 -7.163 217 HD3 ARG 30 HD3 ARG 30 12.349 -16.896 -7.814 218 HE ARG 30 HE ARG 30 9.962 -15.543 -7.574 219 HH11 ARG 30 HH11 ARG 30 13.021 -15.006 -9.100 220 HH12 ARG 30 HH12 ARG 30 12.364 -14.075 -10.404 221 HH21 ARG 30 HH21 ARG 30 9.092 -14.322 -9.282 222 HH22 ARG 30 HH22 ARG 30 10.139 -13.688 -10.506 223 H VAL 31 H VAL 31 8.429 -14.575 -3.549 224 HA VAL 31 HA VAL 31 9.344 -12.189 -2.211 225 HB VAL 31 HB VAL 31 6.941 -11.544 -2.260 226 HG11 VAL 31 HG11 VAL 31 8.287 -12.574 -4.763 227 HG12 VAL 31 HG12 VAL 31 8.212 -10.915 -4.171 228 HG13 VAL 31 HG13 VAL 31 6.765 -11.685 -4.821 229 HG21 VAL 31 HG21 VAL 31 6.134 -13.944 -2.027 230 HG22 VAL 31 HG22 VAL 31 6.556 -14.165 -3.724 231 HG23 VAL 31 HG23 VAL 31 5.312 -13.000 -3.269 232 H ASN 32 H ASN 32 7.742 -15.160 -1.297 233 HA ASN 32 HA ASN 32 6.707 -14.422 1.197 234 HB2 ASN 32 HB2 ASN 32 7.834 -17.073 0.274 235 HB3 ASN 32 HB3 ASN 32 6.905 -16.842 1.755 236 HD21 ASN 32 HD21 ASN 32 5.961 -18.548 -0.348 237 HD22 ASN 32 HD22 ASN 32 4.573 -17.842 -1.021 238 H ARG 33 H ARG 33 9.979 -15.267 0.229 239 HA ARG 33 HA ARG 33 11.129 -15.777 2.714 240 HB2 ARG 33 HB2 ARG 33 12.327 -14.410 0.294 241 HB3 ARG 33 HB3 ARG 33 13.256 -15.019 1.665 242 HG2 ARG 33 HG2 ARG 33 12.348 -17.289 1.258 243 HG3 ARG 33 HG3 ARG 33 11.467 -16.673 -0.141 244 HD2 ARG 33 HD2 ARG 33 13.508 -17.654 -0.960 245 HD3 ARG 33 HD3 ARG 33 13.677 -15.906 -1.087 246 HE ARG 33 HE ARG 33 15.302 -15.976 0.600 247 HH11 ARG 33 HH11 ARG 33 13.695 -19.014 0.198 248 HH12 ARG 33 HH12 ARG 33 14.823 -19.896 1.173 249 HH21 ARG 33 HH21 ARG 33 16.785 -17.126 1.878 250 HH22 ARG 33 HH22 ARG 33 16.573 -18.828 2.124 251 H PHE 34 H PHE 34 10.497 -12.682 1.111 252 HA PHE 34 HA PHE 34 11.846 -11.071 3.031 253 HB2 PHE 34 HB2 PHE 34 9.714 -10.447 0.986 254 HB3 PHE 34 HB3 PHE 34 10.463 -9.219 2.007 255 HD1 PHE 34 HD1 PHE 34 12.832 -8.643 1.767 256 HD2 PHE 34 HD2 PHE 34 10.988 -11.589 -0.753 257 HE1 PHE 34 HE1 PHE 34 14.776 -8.544 0.229 258 HE2 PHE 34 HE2 PHE 34 12.930 -11.489 -2.293 259 HZ PHE 34 HZ PHE 34 14.824 -9.967 -1.801 260 H PHE 35 H PHE 35 8.588 -12.362 2.817 261 HA PHE 35 HA PHE 35 7.628 -10.710 5.004 262 HB2 PHE 35 HB2 PHE 35 6.343 -12.967 3.459 263 HB3 PHE 35 HB3 PHE 35 5.538 -12.057 4.737 264 HD1 PHE 35 HD1 PHE 35 5.386 -9.507 4.494 265 HD2 PHE 35 HD2 PHE 35 6.443 -12.122 1.256 266 HE1 PHE 35 HE1 PHE 35 4.823 -7.721 2.867 267 HE2 PHE 35 HE2 PHE 35 5.882 -10.337 -0.371 268 HZ PHE 35 HZ PHE 35 5.071 -8.135 0.434 269 H VAL 36 H VAL 36 9.712 -13.161 5.038 270 HA VAL 36 HA VAL 36 8.681 -15.086 6.793 271 HB VAL 36 HB VAL 36 11.491 -14.030 6.439 272 HG11 VAL 36 HG11 VAL 36 10.396 -16.247 8.174 273 HG12 VAL 36 HG12 VAL 36 11.507 -14.954 8.624 274 HG13 VAL 36 HG13 VAL 36 12.059 -16.270 7.588 275 HG21 VAL 36 HG21 VAL 36 10.038 -15.430 4.683 276 HG22 VAL 36 HG22 VAL 36 10.566 -16.773 5.695 277 HG23 VAL 36 HG23 VAL 36 11.759 -15.740 4.908 278 H ASN 37 H ASN 37 10.268 -11.984 7.456 279 HA ASN 37 HA ASN 37 10.372 -12.189 10.259 280 HB2 ASN 37 HB2 ASN 37 10.093 -9.743 8.498 281 HB3 ASN 37 HB3 ASN 37 10.488 -9.704 10.216 282 HD21 ASN 37 HD21 ASN 37 12.308 -8.691 8.248 283 HD22 ASN 37 HD22 ASN 37 13.674 -9.698 8.221 284 H THR 38 H THR 38 7.790 -11.246 8.075 285 HA THR 38 HA THR 38 6.041 -10.592 10.346 286 HB THR 38 HB THR 38 5.542 -10.271 7.378 287 HG1 THR 38 HG1 THR 38 7.181 -8.962 8.888 288 HG21 THR 38 HG21 THR 38 4.078 -9.399 9.870 289 HG22 THR 38 HG22 THR 38 3.455 -10.346 8.520 290 HG23 THR 38 HG23 THR 38 3.812 -8.632 8.305 291 H ASP 39 H ASP 39 4.193 -11.734 10.809 292 HA ASP 39 HA ASP 39 4.098 -14.460 9.883 293 HB2 ASP 39 HB2 ASP 39 2.248 -14.715 11.438 294 HB3 ASP 39 HB3 ASP 39 3.550 -13.820 12.218 295 H MET 40 H MET 40 1.970 -15.415 9.176 296 HA MET 40 HA MET 40 1.170 -14.283 6.728 297 HB2 MET 40 HB2 MET 40 -0.134 -16.402 8.445 298 HB3 MET 40 HB3 MET 40 -0.650 -16.004 6.806 299 HG2 MET 40 HG2 MET 40 1.663 -16.495 6.001 300 HG3 MET 40 HG3 MET 40 2.090 -17.003 7.635 301 HE1 MET 40 HE1 MET 40 2.644 -19.785 6.896 302 HE2 MET 40 HE2 MET 40 2.788 -18.600 5.600 303 HE3 MET 40 HE3 MET 40 1.924 -20.108 5.314 304 H ALA 41 H ALA 41 -0.219 -14.060 9.963 305 HA ALA 41 HA ALA 41 -2.737 -13.030 9.299 306 HB1 ALA 41 HB1 ALA 41 -1.117 -12.208 11.712 307 HB2 ALA 41 HB2 ALA 41 -1.933 -13.766 11.585 308 HB3 ALA 41 HB3 ALA 41 -2.873 -12.274 11.561 309 H LYS 42 H LYS 42 0.148 -11.169 10.313 310 HA LYS 42 HA LYS 42 -0.949 -8.645 9.684 311 HB2 LYS 42 HB2 LYS 42 1.830 -9.674 10.147 312 HB3 LYS 42 HB3 LYS 42 1.602 -8.035 9.537 313 HG2 LYS 42 HG2 LYS 42 1.682 -7.857 11.925 314 HG3 LYS 42 HG3 LYS 42 -0.013 -7.671 11.482 315 HD2 LYS 42 HD2 LYS 42 -0.425 -10.038 12.001 316 HD3 LYS 42 HD3 LYS 42 1.279 -10.254 12.403 317 HE2 LYS 42 HE2 LYS 42 -0.445 -9.791 14.327 318 HE3 LYS 42 HE3 LYS 42 1.121 -8.979 14.353 319 HZ1 LYS 42 HZ1 LYS 42 0.211 -6.993 13.767 320 HZ2 LYS 42 HZ2 LYS 42 -1.105 -7.648 14.619 321 HZ3 LYS 42 HZ3 LYS 42 -1.083 -7.690 12.921 322 H GLN 43 H GLN 43 0.754 -11.026 7.759 323 HA GLN 43 HA GLN 43 1.519 -9.478 5.572 324 HB2 GLN 43 HB2 GLN 43 2.080 -11.894 5.944 325 HB3 GLN 43 HB3 GLN 43 0.439 -12.300 5.441 326 HG2 GLN 43 HG2 GLN 43 0.849 -11.131 3.280 327 HG3 GLN 43 HG3 GLN 43 2.514 -10.842 3.780 328 HE21 GLN 43 HE21 GLN 43 1.907 -13.743 5.160 329 HE22 GLN 43 HE22 GLN 43 2.368 -14.783 3.901 330 H LYS 44 H LYS 44 -1.615 -10.977 6.298 331 HA LYS 44 HA LYS 44 -2.890 -10.412 3.857 332 HB2 LYS 44 HB2 LYS 44 -4.035 -10.625 6.650 333 HB3 LYS 44 HB3 LYS 44 -5.001 -10.582 5.174 334 HG2 LYS 44 HG2 LYS 44 -3.764 -12.590 4.353 335 HG3 LYS 44 HG3 LYS 44 -2.919 -12.663 5.900 336 HD2 LYS 44 HD2 LYS 44 -5.129 -12.840 7.051 337 HD3 LYS 44 HD3 LYS 44 -5.912 -12.895 5.471 338 HE2 LYS 44 HE2 LYS 44 -5.359 -15.066 5.158 339 HE3 LYS 44 HE3 LYS 44 -3.701 -14.802 5.700 340 HZ1 LYS 44 HZ1 LYS 44 -5.575 -16.162 7.075 341 HZ2 LYS 44 HZ2 LYS 44 -5.670 -14.626 7.796 342 HZ3 LYS 44 HZ3 LYS 44 -4.191 -15.462 7.761 343 H GLN 45 H GLN 45 -2.458 -8.469 6.775 344 HA GLN 45 HA GLN 45 -4.182 -6.349 6.132 345 HB2 GLN 45 HB2 GLN 45 -3.075 -6.716 8.349 346 HB3 GLN 45 HB3 GLN 45 -1.565 -6.150 7.636 347 HG2 GLN 45 HG2 GLN 45 -2.708 -4.016 7.016 348 HG3 GLN 45 HG3 GLN 45 -4.146 -4.579 7.867 349 HE21 GLN 45 HE21 GLN 45 -4.264 -3.857 9.990 350 HE22 GLN 45 HE22 GLN 45 -2.929 -3.462 10.961 351 H HIS 46 H HIS 46 -0.821 -6.977 5.231 352 HA HIS 46 HA HIS 46 -0.216 -4.488 4.090 353 HB2 HIS 46 HB2 HIS 46 1.440 -6.289 4.547 354 HB3 HIS 46 HB3 HIS 46 0.781 -7.197 3.187 355 HD1 HIS 46 HD1 HIS 46 1.610 -6.584 0.886 356 HD2 HIS 46 HD2 HIS 46 2.600 -3.704 3.729 357 HE1 HIS 46 HE1 HIS 46 3.133 -4.926 -0.275 358 H GLN 47 H GLN 47 -1.627 -7.406 2.617 359 HA GLN 47 HA GLN 47 -1.778 -6.418 -0.015 360 HB2 GLN 47 HB2 GLN 47 -3.378 -8.503 1.465 361 HB3 GLN 47 HB3 GLN 47 -3.659 -8.130 -0.236 362 HG2 GLN 47 HG2 GLN 47 -2.001 -10.053 0.367 363 HG3 GLN 47 HG3 GLN 47 -1.548 -8.905 -0.889 364 HE21 GLN 47 HE21 GLN 47 -0.442 -10.359 1.958 365 HE22 GLN 47 HE22 GLN 47 0.793 -9.257 2.335 366 H LYS 48 H LYS 48 -4.018 -6.174 2.717 367 HA LYS 48 HA LYS 48 -6.192 -5.052 1.324 368 HB2 LYS 48 HB2 LYS 48 -6.295 -5.927 3.656 369 HB3 LYS 48 HB3 LYS 48 -5.355 -4.537 4.190 370 HG2 LYS 48 HG2 LYS 48 -7.596 -3.905 4.603 371 HG3 LYS 48 HG3 LYS 48 -7.201 -3.098 3.088 372 HD2 LYS 48 HD2 LYS 48 -8.375 -4.743 1.799 373 HD3 LYS 48 HD3 LYS 48 -8.526 -5.819 3.189 374 HE2 LYS 48 HE2 LYS 48 -9.863 -3.955 4.312 375 HE3 LYS 48 HE3 LYS 48 -9.911 -3.168 2.734 376 HZ1 LYS 48 HZ1 LYS 48 -11.735 -4.909 3.533 377 HZ2 LYS 48 HZ2 LYS 48 -10.639 -5.984 2.804 378 HZ3 LYS 48 HZ3 LYS 48 -11.308 -4.710 1.903 379 H ASP 49 H ASP 49 -3.512 -3.508 3.084 380 HA ASP 49 HA ASP 49 -4.280 -0.841 2.448 381 HB2 ASP 49 HB2 ASP 49 -1.619 -2.010 3.292 382 HB3 ASP 49 HB3 ASP 49 -1.951 -0.284 3.162 383 H PHE 50 H PHE 50 -2.126 -3.199 0.948 384 HA PHE 50 HA PHE 50 -0.888 -1.515 -0.926 385 HB2 PHE 50 HB2 PHE 50 -0.173 -3.840 -0.401 386 HB3 PHE 50 HB3 PHE 50 -1.587 -4.440 -1.266 387 HD1 PHE 50 HD1 PHE 50 1.609 -2.595 -1.617 388 HD2 PHE 50 HD2 PHE 50 -1.696 -4.417 -3.670 389 HE1 PHE 50 HE1 PHE 50 2.838 -2.407 -3.763 390 HE2 PHE 50 HE2 PHE 50 -0.467 -4.229 -5.815 391 HZ PHE 50 HZ PHE 50 1.799 -3.223 -5.862 392 H MET 51 H MET 51 -3.816 -3.536 -1.260 393 HA MET 51 HA MET 51 -4.367 -2.809 -3.933 394 HB2 MET 51 HB2 MET 51 -5.395 -4.753 -2.767 395 HB3 MET 51 HB3 MET 51 -6.351 -3.630 -1.800 396 HG2 MET 51 HG2 MET 51 -7.301 -2.682 -3.906 397 HG3 MET 51 HG3 MET 51 -6.418 -3.905 -4.819 398 HE1 MET 51 HE1 MET 51 -6.739 -6.645 -2.974 399 HE2 MET 51 HE2 MET 51 -6.550 -6.190 -4.665 400 HE3 MET 51 HE3 MET 51 -7.929 -7.170 -4.173 401 H THR 52 H THR 52 -5.364 -1.397 -0.841 402 HA THR 52 HA THR 52 -7.214 0.468 -1.849 403 HB THR 52 HB THR 52 -5.413 0.782 0.562 404 HG1 THR 52 HG1 THR 52 -7.927 0.014 1.069 405 HG21 THR 52 HG21 THR 52 -7.924 1.884 1.047 406 HG22 THR 52 HG22 THR 52 -7.563 2.362 -0.612 407 HG23 THR 52 HG23 THR 52 -6.448 2.781 0.689 408 H TYR 53 H TYR 53 -3.711 0.682 -1.347 409 HA TYR 53 HA TYR 53 -3.412 3.404 -2.016 410 HB2 TYR 53 HB2 TYR 53 -1.664 2.005 -0.918 411 HB3 TYR 53 HB3 TYR 53 -1.417 1.169 -2.452 412 HD1 TYR 53 HD1 TYR 53 -1.151 4.434 -0.714 413 HD2 TYR 53 HD2 TYR 53 -0.240 2.209 -4.275 414 HE1 TYR 53 HE1 TYR 53 0.366 6.248 -1.460 415 HE2 TYR 53 HE2 TYR 53 1.276 4.024 -5.021 416 HH TYR 53 HH TYR 53 2.667 5.964 -3.580 417 H ALA 54 H ALA 54 -3.343 0.465 -3.998 418 HA ALA 54 HA ALA 54 -2.618 1.712 -6.434 419 HB1 ALA 54 HB1 ALA 54 -3.106 -0.340 -7.457 420 HB2 ALA 54 HB2 ALA 54 -4.370 -0.727 -6.291 421 HB3 ALA 54 HB3 ALA 54 -2.676 -0.806 -5.812 422 H PHE 55 H PHE 55 -5.677 1.290 -4.785 423 HA PHE 55 HA PHE 55 -7.310 2.038 -7.030 424 HB2 PHE 55 HB2 PHE 55 -7.770 1.542 -4.117 425 HB3 PHE 55 HB3 PHE 55 -9.000 2.406 -5.040 426 HD1 PHE 55 HD1 PHE 55 -6.684 -0.415 -5.927 427 HD2 PHE 55 HD2 PHE 55 -10.742 0.942 -5.558 428 HE1 PHE 55 HE1 PHE 55 -7.487 -2.561 -6.871 429 HE2 PHE 55 HE2 PHE 55 -11.546 -1.204 -6.503 430 HZ PHE 55 HZ PHE 55 -9.919 -2.957 -7.160 431 H GLY 56 H GLY 56 -5.086 3.812 -5.627 432 HA2 GLY 56 HA2 GLY 56 -4.805 6.134 -5.957 433 HA3 GLY 56 HA3 GLY 56 -6.553 6.308 -6.071 434 H GLY 57 H GLY 57 -5.134 4.437 -3.507 435 HA2 GLY 57 HA2 GLY 57 -6.398 6.003 -1.481 436 HA3 GLY 57 HA3 GLY 57 -5.274 4.674 -1.215 437 H THR 58 H THR 58 -4.886 7.790 -2.894 438 HA THR 58 HA THR 58 -2.362 8.225 -1.511 439 HB THR 58 HB THR 58 -2.104 10.125 -3.028 440 HG1 THR 58 HG1 THR 58 -3.932 11.029 -3.520 441 HG21 THR 58 HG21 THR 58 -1.353 8.256 -4.155 442 HG22 THR 58 HG22 THR 58 -2.658 8.743 -5.236 443 HG23 THR 58 HG23 THR 58 -2.917 7.446 -4.070 444 H ASP 59 H ASP 59 -4.986 8.347 -0.095 445 HA ASP 59 HA ASP 59 -5.509 11.092 0.533 446 HB2 ASP 59 HB2 ASP 59 -6.948 10.207 2.285 447 HB3 ASP 59 HB3 ASP 59 -7.196 9.289 0.800 448 H ARG 60 H ARG 60 -2.731 9.912 0.835 449 HA ARG 60 HA ARG 60 -0.917 10.193 2.204 450 HB2 ARG 60 HB2 ARG 60 -2.772 12.073 3.689 451 HB3 ARG 60 HB3 ARG 60 -1.022 11.983 3.885 452 HG2 ARG 60 HG2 ARG 60 -0.752 12.525 1.470 453 HG3 ARG 60 HG3 ARG 60 -2.502 12.704 1.338 454 HD2 ARG 60 HD2 ARG 60 -1.635 14.908 1.664 455 HD3 ARG 60 HD3 ARG 60 -2.344 14.428 3.202 456 HE ARG 60 HE ARG 60 -0.226 14.539 4.130 457 HH11 ARG 60 HH11 ARG 60 -0.042 14.234 0.687 458 HH12 ARG 60 HH12 ARG 60 1.677 14.434 0.624 459 HH21 ARG 60 HH21 ARG 60 2.029 14.801 4.053 460 HH22 ARG 60 HH22 ARG 60 2.850 14.756 2.530 461 H PHE 61 H PHE 61 -0.797 8.128 2.995 462 HA PHE 61 HA PHE 61 -2.437 7.100 5.072 463 HB2 PHE 61 HB2 PHE 61 0.066 6.259 3.688 464 HB3 PHE 61 HB3 PHE 61 -0.316 5.491 5.228 465 HD1 PHE 61 HD1 PHE 61 -2.644 6.765 2.594 466 HD2 PHE 61 HD2 PHE 61 -1.066 3.331 4.636 467 HE1 PHE 61 HE1 PHE 61 -4.316 5.324 1.465 468 HE2 PHE 61 HE2 PHE 61 -2.739 1.891 3.507 469 HZ PHE 61 HZ PHE 61 -4.363 2.888 1.921 470 HA PRO 62 HA PRO 62 -0.758 8.781 8.763 471 HB2 PRO 62 HB2 PRO 62 -0.466 6.448 10.287 472 HB3 PRO 62 HB3 PRO 62 -1.941 7.419 10.149 473 HG2 PRO 62 HG2 PRO 62 -1.198 4.902 8.774 474 HG3 PRO 62 HG3 PRO 62 -2.786 5.476 9.310 475 HD2 PRO 62 HD2 PRO 62 -2.051 5.527 6.701 476 HD3 PRO 62 HD3 PRO 62 -3.119 6.761 7.403 477 H GLY 63 H GLY 63 0.911 6.193 7.145 478 HA2 GLY 63 HA2 GLY 63 3.346 6.454 8.704 479 HA3 GLY 63 HA3 GLY 63 3.114 5.437 7.284 480 H ARG 64 H ARG 64 3.744 8.727 8.381 481 HA ARG 64 HA ARG 64 4.024 9.997 5.902 482 HB2 ARG 64 HB2 ARG 64 5.331 11.669 7.081 483 HB3 ARG 64 HB3 ARG 64 3.991 11.157 8.107 484 HG2 ARG 64 HG2 ARG 64 5.575 9.503 9.187 485 HG3 ARG 64 HG3 ARG 64 6.884 10.286 8.300 486 HD2 ARG 64 HD2 ARG 64 6.235 12.459 9.340 487 HD3 ARG 64 HD3 ARG 64 5.021 11.608 10.293 488 HE ARG 64 HE ARG 64 6.724 10.858 11.678 489 HH11 ARG 64 HH11 ARG 64 7.990 11.986 8.661 490 HH12 ARG 64 HH12 ARG 64 9.647 11.848 9.148 491 HH21 ARG 64 HH21 ARG 64 8.894 10.675 12.323 492 HH22 ARG 64 HH22 ARG 64 10.159 11.106 11.221 493 H SER 65 H SER 65 6.238 7.945 7.703 494 HA SER 65 HA SER 65 8.318 8.366 5.663 495 HB2 SER 65 HB2 SER 65 8.330 7.334 8.476 496 HB3 SER 65 HB3 SER 65 9.622 6.870 7.373 497 HG SER 65 HG SER 65 9.894 8.874 8.657 498 H MET 66 H MET 66 7.025 7.128 4.093 499 HA MET 66 HA MET 66 6.307 4.430 4.421 500 HB2 MET 66 HB2 MET 66 7.090 5.997 1.954 501 HB3 MET 66 HB3 MET 66 6.464 4.350 1.903 502 HG2 MET 66 HG2 MET 66 4.960 6.487 3.393 503 HG3 MET 66 HG3 MET 66 4.790 6.340 1.644 504 HE1 MET 66 HE1 MET 66 3.558 5.034 5.076 505 HE2 MET 66 HE2 MET 66 2.039 4.594 4.300 506 HE3 MET 66 HE3 MET 66 2.757 6.171 3.983 507 H ARG 67 H ARG 67 9.340 5.949 3.458 508 HA ARG 67 HA ARG 67 10.716 3.659 2.584 509 HB2 ARG 67 HB2 ARG 67 11.768 6.167 3.913 510 HB3 ARG 67 HB3 ARG 67 12.768 4.967 3.093 511 HG2 ARG 67 HG2 ARG 67 11.453 5.340 1.012 512 HG3 ARG 67 HG3 ARG 67 10.548 6.608 1.839 513 HD2 ARG 67 HD2 ARG 67 12.747 7.755 2.305 514 HD3 ARG 67 HD3 ARG 67 13.521 6.565 1.262 515 HE ARG 67 HE ARG 67 11.320 7.847 -0.052 516 HH11 ARG 67 HH11 ARG 67 14.617 8.204 0.939 517 HH12 ARG 67 HH12 ARG 67 15.017 9.327 -0.318 518 HH21 ARG 67 HH21 ARG 67 11.837 9.318 -1.702 519 HH22 ARG 67 HH22 ARG 67 13.443 9.959 -1.813 520 H ALA 68 H ALA 68 10.277 5.024 5.816 521 HA ALA 68 HA ALA 68 12.134 3.423 7.190 522 HB1 ALA 68 HB1 ALA 68 10.698 3.904 9.194 523 HB2 ALA 68 HB2 ALA 68 9.537 4.671 8.109 524 HB3 ALA 68 HB3 ALA 68 11.161 5.339 8.277 525 H ALA 69 H ALA 69 8.798 2.817 6.220 526 HA ALA 69 HA ALA 69 8.380 0.472 7.738 527 HB1 ALA 69 HB1 ALA 69 6.902 0.144 5.405 528 HB2 ALA 69 HB2 ALA 69 7.041 1.893 5.579 529 HB3 ALA 69 HB3 ALA 69 6.352 0.929 6.885 530 H HIS 70 H HIS 70 9.851 1.027 4.578 531 HA HIS 70 HA HIS 70 10.296 -1.863 4.264 532 HB2 HIS 70 HB2 HIS 70 10.674 0.436 2.334 533 HB3 HIS 70 HB3 HIS 70 11.011 -1.255 1.963 534 HD1 HIS 70 HD1 HIS 70 8.192 1.143 2.559 535 HD2 HIS 70 HD2 HIS 70 8.692 -2.900 1.676 536 HE1 HIS 70 HE1 HIS 70 5.906 0.263 1.918 537 H GLN 71 H GLN 71 11.885 0.917 5.375 538 HA GLN 71 HA GLN 71 14.519 0.537 4.499 539 HB2 GLN 71 HB2 GLN 71 13.693 2.531 5.755 540 HB3 GLN 71 HB3 GLN 71 13.659 1.548 7.218 541 HG2 GLN 71 HG2 GLN 71 16.090 1.064 6.893 542 HG3 GLN 71 HG3 GLN 71 16.091 2.169 5.519 543 HE21 GLN 71 HE21 GLN 71 16.760 4.241 6.066 544 HE22 GLN 71 HE22 GLN 71 16.563 4.959 7.593 545 H ASP 72 H ASP 72 12.770 -0.893 7.226 546 HA ASP 72 HA ASP 72 14.936 -2.219 8.434 547 HB2 ASP 72 HB2 ASP 72 11.998 -2.926 8.334 548 HB3 ASP 72 HB3 ASP 72 13.173 -3.735 9.370 549 H LEU 73 H LEU 73 12.791 -3.164 5.789 550 HA LEU 73 HA LEU 73 13.586 -5.850 5.553 551 HB2 LEU 73 HB2 LEU 73 12.721 -3.972 3.341 552 HB3 LEU 73 HB3 LEU 73 12.675 -5.735 3.296 553 HG LEU 73 HG LEU 73 11.117 -3.962 5.200 554 HD11 LEU 73 HD11 LEU 73 9.168 -4.691 3.968 555 HD12 LEU 73 HD12 LEU 73 10.138 -5.800 2.999 556 HD13 LEU 73 HD13 LEU 73 10.332 -4.058 2.805 557 HD21 LEU 73 HD21 LEU 73 10.010 -6.363 5.528 558 HD22 LEU 73 HD22 LEU 73 11.424 -5.881 6.466 559 HD23 LEU 73 HD23 LEU 73 11.615 -6.911 5.047 560 H VAL 74 H VAL 74 14.933 -2.881 4.173 561 HA VAL 74 HA VAL 74 16.821 -4.115 2.465 562 HB VAL 74 HB VAL 74 16.803 -1.391 3.779 563 HG11 VAL 74 HG11 VAL 74 19.018 -1.466 3.192 564 HG12 VAL 74 HG12 VAL 74 18.368 -1.104 1.593 565 HG13 VAL 74 HG13 VAL 74 18.772 -2.765 2.025 566 HG21 VAL 74 HG21 VAL 74 16.001 -0.637 1.612 567 HG22 VAL 74 HG22 VAL 74 14.962 -1.953 2.159 568 HG23 VAL 74 HG23 VAL 74 16.195 -2.253 0.934 569 H GLU 75 H GLU 75 17.015 -3.007 5.827 570 HA GLU 75 HA GLU 75 19.779 -3.452 6.185 571 HB2 GLU 75 HB2 GLU 75 17.505 -3.499 8.181 572 HB3 GLU 75 HB3 GLU 75 19.214 -3.502 8.616 573 HG2 GLU 75 HG2 GLU 75 17.849 -1.362 6.958 574 HG3 GLU 75 HG3 GLU 75 18.241 -1.215 8.670 575 H ASN 76 H ASN 76 16.981 -5.582 6.479 576 HA ASN 76 HA ASN 76 18.657 -7.776 7.442 577 HB2 ASN 76 HB2 ASN 76 15.690 -7.616 6.870 578 HB3 ASN 76 HB3 ASN 76 16.514 -9.026 7.534 579 HD21 ASN 76 HD21 ASN 76 14.462 -7.651 9.003 580 HD22 ASN 76 HD22 ASN 76 15.183 -6.924 10.358 581 H ALA 77 H ALA 77 16.282 -7.392 4.796 582 HA ALA 77 HA ALA 77 17.863 -9.338 3.232 583 HB1 ALA 77 HB1 ALA 77 15.345 -9.708 3.877 584 HB2 ALA 77 HB2 ALA 77 15.905 -10.104 2.252 585 HB3 ALA 77 HB3 ALA 77 15.045 -8.593 2.545 586 H GLY 78 H GLY 78 18.315 -8.924 1.057 587 HA2 GLY 78 HA2 GLY 78 18.476 -6.087 0.384 588 HA3 GLY 78 HA3 GLY 78 19.251 -7.413 -0.479 589 H LEU 79 H LEU 79 16.676 -5.232 -0.483 590 HA LEU 79 HA LEU 79 15.098 -6.845 -2.376 591 HB2 LEU 79 HB2 LEU 79 13.920 -5.805 -0.440 592 HB3 LEU 79 HB3 LEU 79 14.382 -4.219 -1.055 593 HG LEU 79 HG LEU 79 13.231 -4.801 -3.221 594 HD11 LEU 79 HD11 LEU 79 12.660 -7.277 -1.626 595 HD12 LEU 79 HD12 LEU 79 13.046 -7.114 -3.339 596 HD13 LEU 79 HD13 LEU 79 11.437 -6.695 -2.754 597 HD21 LEU 79 HD21 LEU 79 12.105 -4.093 -0.677 598 HD22 LEU 79 HD22 LEU 79 10.936 -5.081 -1.554 599 HD23 LEU 79 HD23 LEU 79 11.568 -3.606 -2.285 600 H THR 80 H THR 80 14.994 -6.352 -4.487 601 HA THR 80 HA THR 80 16.249 -3.824 -5.369 602 HB THR 80 HB THR 80 17.062 -4.992 -7.349 603 HG1 THR 80 HG1 THR 80 16.504 -7.492 -6.383 604 HG21 THR 80 HG21 THR 80 18.811 -5.228 -5.922 605 HG22 THR 80 HG22 THR 80 18.310 -6.917 -5.843 606 HG23 THR 80 HG23 THR 80 17.779 -5.781 -4.603 607 H ASP 81 H ASP 81 15.517 -3.128 -7.558 608 HA ASP 81 HA ASP 81 12.766 -2.700 -7.618 609 HB2 ASP 81 HB2 ASP 81 14.834 -2.515 -9.807 610 HB3 ASP 81 HB3 ASP 81 13.169 -1.967 -9.994 611 H VAL 82 H VAL 82 14.673 -5.214 -9.240 612 HA VAL 82 HA VAL 82 12.792 -6.154 -11.047 613 HB VAL 82 HB VAL 82 15.217 -6.940 -10.653 614 HG11 VAL 82 HG11 VAL 82 15.608 -8.683 -9.138 615 HG12 VAL 82 HG12 VAL 82 13.896 -9.089 -9.014 616 HG13 VAL 82 HG13 VAL 82 14.517 -7.638 -8.231 617 HG21 VAL 82 HG21 VAL 82 14.405 -8.142 -12.400 618 HG22 VAL 82 HG22 VAL 82 12.838 -8.370 -11.625 619 HG23 VAL 82 HG23 VAL 82 14.183 -9.436 -11.222 620 H HIS 83 H HIS 83 13.047 -6.804 -7.578 621 HA HIS 83 HA HIS 83 11.147 -8.857 -7.388 622 HB2 HIS 83 HB2 HIS 83 11.880 -6.685 -5.413 623 HB3 HIS 83 HB3 HIS 83 10.876 -8.083 -5.024 624 HD2 HIS 83 HD2 HIS 83 12.282 -10.567 -4.915 625 HE1 HIS 83 HE1 HIS 83 16.130 -8.891 -5.359 626 HE2 HIS 83 HE2 HIS 83 14.852 -11.014 -4.805 627 H PHE 84 H PHE 84 10.765 -5.339 -7.367 628 HA PHE 84 HA PHE 84 8.036 -5.207 -6.743 629 HB2 PHE 84 HB2 PHE 84 9.584 -3.256 -6.834 630 HB3 PHE 84 HB3 PHE 84 9.577 -3.373 -8.593 631 HD1 PHE 84 HD1 PHE 84 7.505 -2.681 -5.603 632 HD2 PHE 84 HD2 PHE 84 7.674 -2.666 -9.896 633 HE1 PHE 84 HE1 PHE 84 5.404 -1.368 -5.681 634 HE2 PHE 84 HE2 PHE 84 5.572 -1.352 -9.974 635 HZ PHE 84 HZ PHE 84 4.436 -0.703 -7.866 636 H ASP 85 H ASP 85 9.680 -5.562 -9.864 637 HA ASP 85 HA ASP 85 7.420 -5.394 -11.523 638 HB2 ASP 85 HB2 ASP 85 9.812 -5.352 -12.278 639 HB3 ASP 85 HB3 ASP 85 9.875 -7.093 -12.001 640 H ALA 86 H ALA 86 8.814 -8.111 -9.749 641 HA ALA 86 HA ALA 86 7.239 -10.143 -10.950 642 HB1 ALA 86 HB1 ALA 86 7.791 -11.022 -8.376 643 HB2 ALA 86 HB2 ALA 86 9.113 -9.909 -8.731 644 HB3 ALA 86 HB3 ALA 86 8.801 -11.277 -9.800 645 H ILE 87 H ILE 87 6.911 -8.650 -7.709 646 HA ILE 87 HA ILE 87 4.389 -9.794 -7.167 647 HB ILE 87 HB ILE 87 5.988 -8.735 -5.499 648 HG12 ILE 87 HG12 ILE 87 3.149 -7.693 -5.344 649 HG13 ILE 87 HG13 ILE 87 3.560 -9.388 -5.077 650 HG21 ILE 87 HG21 ILE 87 5.862 -6.355 -5.147 651 HG22 ILE 87 HG22 ILE 87 4.592 -6.188 -6.358 652 HG23 ILE 87 HG23 ILE 87 6.231 -6.612 -6.851 653 HD11 ILE 87 HD11 ILE 87 3.440 -7.800 -3.012 654 HD12 ILE 87 HD12 ILE 87 5.007 -7.217 -3.574 655 HD13 ILE 87 HD13 ILE 87 4.801 -8.913 -3.139 656 H ALA 88 H ALA 88 5.343 -6.921 -8.910 657 HA ALA 88 HA ALA 88 2.843 -5.593 -8.919 658 HB1 ALA 88 HB1 ALA 88 4.860 -4.415 -9.561 659 HB2 ALA 88 HB2 ALA 88 3.750 -4.424 -10.931 660 HB3 ALA 88 HB3 ALA 88 5.127 -5.527 -10.904 661 H GLU 89 H GLU 89 4.271 -8.044 -11.030 662 HA GLU 89 HA GLU 89 2.309 -8.011 -13.053 663 HB2 GLU 89 HB2 GLU 89 4.518 -9.162 -13.216 664 HB3 GLU 89 HB3 GLU 89 3.923 -10.387 -12.097 665 HG2 GLU 89 HG2 GLU 89 3.600 -11.233 -14.333 666 HG3 GLU 89 HG3 GLU 89 2.015 -10.804 -13.694 667 H ASN 90 H ASN 90 2.484 -9.697 -9.955 668 HA ASN 90 HA ASN 90 0.320 -11.449 -10.288 669 HB2 ASN 90 HB2 ASN 90 1.343 -10.081 -7.790 670 HB3 ASN 90 HB3 ASN 90 0.189 -11.414 -7.799 671 HD21 ASN 90 HD21 ASN 90 2.748 -11.678 -6.539 672 HD22 ASN 90 HD22 ASN 90 3.662 -12.801 -7.424 673 H LEU 91 H LEU 91 0.433 -8.055 -9.318 674 HA LEU 91 HA LEU 91 -2.237 -7.774 -8.481 675 HB2 LEU 91 HB2 LEU 91 -0.449 -6.072 -8.134 676 HB3 LEU 91 HB3 LEU 91 -0.510 -5.703 -9.856 677 HG LEU 91 HG LEU 91 -2.966 -5.192 -9.583 678 HD11 LEU 91 HD11 LEU 91 -3.112 -4.553 -6.877 679 HD12 LEU 91 HD12 LEU 91 -2.341 -6.137 -6.888 680 HD13 LEU 91 HD13 LEU 91 -3.910 -5.915 -7.661 681 HD21 LEU 91 HD21 LEU 91 -2.556 -3.000 -8.446 682 HD22 LEU 91 HD22 LEU 91 -1.340 -3.380 -9.664 683 HD23 LEU 91 HD23 LEU 91 -0.971 -3.592 -7.953 684 H VAL 92 H VAL 92 -0.750 -7.535 -11.684 685 HA VAL 92 HA VAL 92 -3.041 -6.625 -13.072 686 HB VAL 92 HB VAL 92 -0.645 -8.217 -14.006 687 HG11 VAL 92 HG11 VAL 92 -2.948 -6.969 -15.518 688 HG12 VAL 92 HG12 VAL 92 -2.365 -8.630 -15.610 689 HG13 VAL 92 HG13 VAL 92 -1.397 -7.317 -16.280 690 HG21 VAL 92 HG21 VAL 92 -0.619 -5.718 -13.078 691 HG22 VAL 92 HG22 VAL 92 -1.215 -5.361 -14.699 692 HG23 VAL 92 HG23 VAL 92 0.336 -6.174 -14.490 693 H LEU 93 H LEU 93 -1.807 -9.884 -12.400 694 HA LEU 93 HA LEU 93 -3.703 -11.309 -13.924 695 HB2 LEU 93 HB2 LEU 93 -2.297 -12.178 -11.387 696 HB3 LEU 93 HB3 LEU 93 -3.061 -13.241 -12.568 697 HG LEU 93 HG LEU 93 -0.708 -11.400 -13.093 698 HD11 LEU 93 HD11 LEU 93 -1.010 -14.372 -12.675 699 HD12 LEU 93 HD12 LEU 93 0.128 -13.265 -11.909 700 HD13 LEU 93 HD13 LEU 93 0.341 -13.719 -13.600 701 HD21 LEU 93 HD21 LEU 93 -2.502 -13.030 -14.851 702 HD22 LEU 93 HD22 LEU 93 -0.787 -12.956 -15.256 703 HD23 LEU 93 HD23 LEU 93 -1.737 -11.473 -15.169 704 H THR 94 H THR 94 -3.781 -10.068 -10.622 705 HA THR 94 HA THR 94 -6.081 -11.402 -9.718 706 HB THR 94 HB THR 94 -5.169 -8.612 -8.980 707 HG1 THR 94 HG1 THR 94 -3.686 -9.545 -7.812 708 HG21 THR 94 HG21 THR 94 -6.262 -9.231 -6.803 709 HG22 THR 94 HG22 THR 94 -6.893 -10.677 -7.590 710 HG23 THR 94 HG23 THR 94 -7.391 -9.080 -8.148 711 H LEU 95 H LEU 95 -5.717 -8.342 -11.477 712 HA LEU 95 HA LEU 95 -8.434 -7.574 -11.399 713 HB2 LEU 95 HB2 LEU 95 -6.382 -6.954 -13.539 714 HB3 LEU 95 HB3 LEU 95 -7.874 -6.064 -13.229 715 HG LEU 95 HG LEU 95 -5.522 -6.350 -11.336 716 HD11 LEU 95 HD11 LEU 95 -5.225 -4.748 -13.215 717 HD12 LEU 95 HD12 LEU 95 -5.301 -3.933 -11.653 718 HD13 LEU 95 HD13 LEU 95 -6.703 -3.925 -12.721 719 HD21 LEU 95 HD21 LEU 95 -7.326 -6.250 -9.863 720 HD22 LEU 95 HD22 LEU 95 -8.322 -5.324 -10.986 721 HD23 LEU 95 HD23 LEU 95 -7.007 -4.535 -10.115 722 H GLN 96 H GLN 96 -6.626 -9.685 -13.564 723 HA GLN 96 HA GLN 96 -8.514 -9.922 -15.628 724 HB2 GLN 96 HB2 GLN 96 -6.568 -11.988 -14.570 725 HB3 GLN 96 HB3 GLN 96 -7.411 -12.084 -16.116 726 HG2 GLN 96 HG2 GLN 96 -5.517 -9.866 -15.288 727 HG3 GLN 96 HG3 GLN 96 -5.125 -11.181 -16.393 728 HE21 GLN 96 HE21 GLN 96 -5.674 -8.038 -16.621 729 HE22 GLN 96 HE22 GLN 96 -6.623 -7.957 -18.026 730 H GLU 97 H GLU 97 -8.237 -11.561 -12.518 731 HA GLU 97 HA GLU 97 -10.230 -13.524 -12.949 732 HB2 GLU 97 HB2 GLU 97 -9.249 -12.234 -10.391 733 HB3 GLU 97 HB3 GLU 97 -10.293 -13.655 -10.460 734 HG2 GLU 97 HG2 GLU 97 -8.564 -14.839 -11.789 735 HG3 GLU 97 HG3 GLU 97 -7.513 -13.431 -11.650 736 H LEU 98 H LEU 98 -10.350 -10.163 -11.976 737 HA LEU 98 HA LEU 98 -13.136 -10.262 -11.196 738 HB2 LEU 98 HB2 LEU 98 -11.364 -7.861 -11.712 739 HB3 LEU 98 HB3 LEU 98 -12.913 -7.861 -10.867 740 HG LEU 98 HG LEU 98 -10.393 -9.300 -9.983 741 HD11 LEU 98 HD11 LEU 98 -9.925 -7.387 -8.898 742 HD12 LEU 98 HD12 LEU 98 -11.461 -7.508 -8.042 743 HD13 LEU 98 HD13 LEU 98 -11.372 -6.637 -9.573 744 HD21 LEU 98 HD21 LEU 98 -12.091 -10.689 -9.188 745 HD22 LEU 98 HD22 LEU 98 -13.248 -9.365 -9.053 746 HD23 LEU 98 HD23 LEU 98 -11.955 -9.532 -7.866 747 H ASN 99 H ASN 99 -11.646 -10.427 -14.121 748 HA ASN 99 HA ASN 99 -12.354 -10.119 -16.285 749 HB2 ASN 99 HB2 ASN 99 -14.458 -11.132 -15.200 750 HB3 ASN 99 HB3 ASN 99 -15.088 -9.485 -15.190 751 HD21 ASN 99 HD21 ASN 99 -16.578 -11.069 -16.757 752 HD22 ASN 99 HD22 ASN 99 -16.211 -10.883 -18.403 753 H VAL 100 H VAL 100 -11.059 -7.985 -15.300 754 HA VAL 100 HA VAL 100 -12.695 -5.615 -15.915 755 HB VAL 100 HB VAL 100 -9.927 -5.789 -14.700 756 HG11 VAL 100 HG11 VAL 100 -10.295 -3.426 -14.155 757 HG12 VAL 100 HG12 VAL 100 -11.885 -3.481 -14.916 758 HG13 VAL 100 HG13 VAL 100 -10.432 -3.670 -15.897 759 HG21 VAL 100 HG21 VAL 100 -12.208 -6.603 -13.486 760 HG22 VAL 100 HG22 VAL 100 -12.289 -4.876 -13.142 761 HG23 VAL 100 HG23 VAL 100 -10.892 -5.815 -12.618 762 H SER 101 H SER 101 -12.261 -4.305 -17.629 763 HA SER 101 HA SER 101 -10.961 -5.324 -19.885 764 HB2 SER 101 HB2 SER 101 -12.664 -3.530 -19.956 765 HB3 SER 101 HB3 SER 101 -11.509 -2.421 -19.222 766 HG SER 101 HG SER 101 -10.842 -3.867 -21.545 767 H GLN 102 H GLN 102 -8.965 -5.030 -20.784 768 HA GLN 102 HA GLN 102 -6.745 -4.729 -19.098 769 HB2 GLN 102 HB2 GLN 102 -6.780 -5.912 -21.312 770 HB3 GLN 102 HB3 GLN 102 -6.781 -4.331 -22.096 771 HG2 GLN 102 HG2 GLN 102 -4.494 -5.002 -22.009 772 HG3 GLN 102 HG3 GLN 102 -4.688 -3.805 -20.728 773 HE21 GLN 102 HE21 GLN 102 -6.303 -6.564 -19.720 774 HE22 GLN 102 HE22 GLN 102 -5.059 -7.280 -18.812 775 H ASP 103 H ASP 103 -8.405 -2.394 -21.172 776 HA ASP 103 HA ASP 103 -6.530 -0.332 -21.148 777 HB2 ASP 103 HB2 ASP 103 -9.550 -0.216 -21.165 778 HB3 ASP 103 HB3 ASP 103 -8.512 1.181 -21.445 779 H LEU 104 H LEU 104 -9.064 -1.097 -18.776 780 HA LEU 104 HA LEU 104 -8.591 1.154 -17.110 781 HB2 LEU 104 HB2 LEU 104 -9.748 -1.551 -16.395 782 HB3 LEU 104 HB3 LEU 104 -9.873 -0.087 -15.420 783 HG LEU 104 HG LEU 104 -10.967 -0.441 -18.227 784 HD11 LEU 104 HD11 LEU 104 -12.734 -1.347 -17.157 785 HD12 LEU 104 HD12 LEU 104 -12.999 0.231 -16.415 786 HD13 LEU 104 HD13 LEU 104 -12.034 -0.986 -15.578 787 HD21 LEU 104 HD21 LEU 104 -10.572 1.835 -18.161 788 HD22 LEU 104 HD22 LEU 104 -10.634 1.900 -16.400 789 HD23 LEU 104 HD23 LEU 104 -12.128 1.800 -17.333 790 H ILE 105 H ILE 105 -7.234 -2.094 -17.244 791 HA ILE 105 HA ILE 105 -5.856 -2.085 -14.795 792 HB ILE 105 HB ILE 105 -5.098 -3.431 -17.398 793 HG12 ILE 105 HG12 ILE 105 -6.635 -4.482 -15.001 794 HG13 ILE 105 HG13 ILE 105 -7.383 -3.964 -16.512 795 HG21 ILE 105 HG21 ILE 105 -4.247 -4.990 -15.269 796 HG22 ILE 105 HG22 ILE 105 -3.885 -3.351 -14.731 797 HG23 ILE 105 HG23 ILE 105 -3.216 -3.948 -16.249 798 HD11 ILE 105 HD11 ILE 105 -6.052 -6.475 -15.888 799 HD12 ILE 105 HD12 ILE 105 -5.346 -5.705 -17.309 800 HD13 ILE 105 HD13 ILE 105 -7.071 -6.066 -17.267 801 H ASP 106 H ASP 106 -4.936 -0.890 -18.001 802 HA ASP 106 HA ASP 106 -2.252 -0.288 -17.470 803 HB2 ASP 106 HB2 ASP 106 -4.242 1.058 -19.308 804 HB3 ASP 106 HB3 ASP 106 -2.514 1.408 -19.304 805 H GLU 107 H GLU 107 -5.203 1.584 -16.901 806 HA GLU 107 HA GLU 107 -3.928 3.974 -16.063 807 HB2 GLU 107 HB2 GLU 107 -6.657 2.848 -15.387 808 HB3 GLU 107 HB3 GLU 107 -6.128 4.488 -15.007 809 HG2 GLU 107 HG2 GLU 107 -5.706 4.889 -17.422 810 HG3 GLU 107 HG3 GLU 107 -6.311 3.272 -17.778 811 H VAL 108 H VAL 108 -4.888 1.032 -14.383 812 HA VAL 108 HA VAL 108 -4.497 1.952 -11.736 813 HB VAL 108 HB VAL 108 -4.337 -0.823 -12.929 814 HG11 VAL 108 HG11 VAL 108 -4.140 0.180 -10.093 815 HG12 VAL 108 HG12 VAL 108 -3.129 -1.010 -10.913 816 HG13 VAL 108 HG13 VAL 108 -4.777 -1.428 -10.441 817 HG21 VAL 108 HG21 VAL 108 -6.587 -1.060 -12.111 818 HG22 VAL 108 HG22 VAL 108 -6.529 0.464 -12.996 819 HG23 VAL 108 HG23 VAL 108 -6.491 0.467 -11.233 820 H VAL 109 H VAL 109 -2.330 0.455 -14.096 821 HA VAL 109 HA VAL 109 -0.118 0.042 -12.413 822 HB VAL 109 HB VAL 109 -0.278 0.598 -15.380 823 HG11 VAL 109 HG11 VAL 109 2.056 -0.600 -15.211 824 HG12 VAL 109 HG12 VAL 109 2.040 0.014 -13.558 825 HG13 VAL 109 HG13 VAL 109 1.948 1.135 -14.916 826 HG21 VAL 109 HG21 VAL 109 -1.316 -1.509 -14.297 827 HG22 VAL 109 HG22 VAL 109 0.347 -1.997 -13.965 828 HG23 VAL 109 HG23 VAL 109 -0.188 -1.758 -15.629 829 H THR 110 H THR 110 -1.117 2.864 -14.306 830 HA THR 110 HA THR 110 1.176 4.437 -13.949 831 HB THR 110 HB THR 110 -1.690 5.395 -14.130 832 HG1 THR 110 HG1 THR 110 0.220 4.875 -16.160 833 HG21 THR 110 HG21 THR 110 1.002 6.680 -14.597 834 HG22 THR 110 HG22 THR 110 -0.296 7.228 -13.537 835 HG23 THR 110 HG23 THR 110 -0.482 7.336 -15.288 836 H ILE 111 H ILE 111 -1.705 4.063 -11.910 837 HA ILE 111 HA ILE 111 -1.152 6.086 -10.050 838 HB ILE 111 HB ILE 111 -2.526 3.426 -9.603 839 HG12 ILE 111 HG12 ILE 111 -3.686 6.161 -10.226 840 HG13 ILE 111 HG13 ILE 111 -3.460 4.890 -11.429 841 HG21 ILE 111 HG21 ILE 111 -2.321 5.966 -7.986 842 HG22 ILE 111 HG22 ILE 111 -2.059 4.305 -7.456 843 HG23 ILE 111 HG23 ILE 111 -3.692 4.874 -7.801 844 HD11 ILE 111 HD11 ILE 111 -4.830 3.390 -9.846 845 HD12 ILE 111 HD12 ILE 111 -5.711 4.643 -10.720 846 HD13 ILE 111 HD13 ILE 111 -5.287 4.882 -9.025 847 H VAL 112 H VAL 112 -0.309 2.621 -9.933 848 HA VAL 112 HA VAL 112 1.348 3.026 -7.582 849 HB VAL 112 HB VAL 112 1.730 0.629 -7.687 850 HG11 VAL 112 HG11 VAL 112 -1.093 1.569 -8.205 851 HG12 VAL 112 HG12 VAL 112 -0.346 1.152 -6.663 852 HG13 VAL 112 HG13 VAL 112 -0.733 -0.115 -7.827 853 HG21 VAL 112 HG21 VAL 112 0.457 -0.576 -9.625 854 HG22 VAL 112 HG22 VAL 112 2.039 0.125 -9.963 855 HG23 VAL 112 HG23 VAL 112 0.574 0.980 -10.446 856 H GLY 113 H GLY 113 1.713 3.061 -10.991 857 HA2 GLY 113 HA2 GLY 113 4.499 2.353 -11.076 858 HA3 GLY 113 HA3 GLY 113 3.558 3.050 -12.389 859 H SER 114 H SER 114 3.276 4.804 -9.493 860 HA SER 114 HA SER 114 4.382 7.157 -10.551 861 HB2 SER 114 HB2 SER 114 4.012 6.415 -7.640 862 HB3 SER 114 HB3 SER 114 4.233 8.044 -8.271 863 HG SER 114 HG SER 114 2.281 7.910 -9.281 864 H VAL 115 H VAL 115 6.353 8.163 -10.310 865 HA VAL 115 HA VAL 115 8.643 6.501 -10.062 866 HB VAL 115 HB VAL 115 8.350 9.510 -10.123 867 HG11 VAL 115 HG11 VAL 115 10.865 9.152 -10.898 868 HG12 VAL 115 HG12 VAL 115 10.730 7.707 -9.895 869 HG13 VAL 115 HG13 VAL 115 10.461 9.300 -9.187 870 HG21 VAL 115 HG21 VAL 115 7.813 7.776 -12.109 871 HG22 VAL 115 HG22 VAL 115 9.561 7.887 -12.312 872 HG23 VAL 115 HG23 VAL 115 8.568 9.341 -12.410 873 H GLN 116 H GLN 116 7.121 8.853 -7.889 874 HA GLN 116 HA GLN 116 9.095 8.928 -5.909 875 HB2 GLN 116 HB2 GLN 116 7.111 10.441 -6.050 876 HB3 GLN 116 HB3 GLN 116 6.110 9.111 -5.468 877 HG2 GLN 116 HG2 GLN 116 7.567 8.958 -3.443 878 HG3 GLN 116 HG3 GLN 116 8.443 10.379 -4.008 879 HE21 GLN 116 HE21 GLN 116 7.685 12.293 -3.110 880 HE22 GLN 116 HE22 GLN 116 6.092 12.562 -2.590 881 H HIS 117 H HIS 117 6.330 6.715 -6.280 882 HA HIS 117 HA HIS 117 6.724 5.318 -3.855 883 HB2 HIS 117 HB2 HIS 117 4.683 5.245 -5.395 884 HB3 HIS 117 HB3 HIS 117 5.594 4.088 -6.366 885 HD1 HIS 117 HD1 HIS 117 5.907 4.178 -2.626 886 HD2 HIS 117 HD2 HIS 117 4.007 1.871 -5.531 887 HE1 HIS 117 HE1 HIS 117 5.036 2.122 -1.441 888 H ARG 118 H ARG 118 7.887 4.688 -7.155 889 HA ARG 118 HA ARG 118 9.210 2.265 -6.637 890 HB2 ARG 118 HB2 ARG 118 8.778 3.183 -8.905 891 HB3 ARG 118 HB3 ARG 118 10.001 4.419 -8.614 892 HG2 ARG 118 HG2 ARG 118 11.685 2.624 -8.238 893 HG3 ARG 118 HG3 ARG 118 10.456 1.421 -8.634 894 HD2 ARG 118 HD2 ARG 118 10.162 2.524 -10.858 895 HD3 ARG 118 HD3 ARG 118 11.490 3.608 -10.459 896 HE ARG 118 HE ARG 118 12.991 1.816 -10.733 897 HH11 ARG 118 HH11 ARG 118 9.678 0.832 -10.939 898 HH12 ARG 118 HH12 ARG 118 10.039 -0.724 -11.609 899 HH21 ARG 118 HH21 ARG 118 13.470 -0.222 -11.613 900 HH22 ARG 118 HH22 ARG 118 12.185 -1.320 -11.990 901 H ASN 119 H ASN 119 10.333 5.622 -6.421 902 HA ASN 119 HA ASN 119 13.025 5.073 -5.788 903 HB2 ASN 119 HB2 ASN 119 11.283 7.434 -5.048 904 HB3 ASN 119 HB3 ASN 119 13.036 7.380 -4.853 905 HD21 ASN 119 HD21 ASN 119 11.795 9.301 -6.581 906 HD22 ASN 119 HD22 ASN 119 12.217 8.927 -8.181 907 H ASP 120 H ASP 120 10.129 5.321 -3.791 908 HA ASP 120 HA ASP 120 11.348 5.394 -1.268 909 HB2 ASP 120 HB2 ASP 120 8.698 4.218 -2.128 910 HB3 ASP 120 HB3 ASP 120 9.190 4.423 -0.448 911 H VAL 121 H VAL 121 10.558 2.670 -3.380 912 HA VAL 121 HA VAL 121 11.041 0.593 -1.543 913 HB VAL 121 HB VAL 121 11.342 0.698 -4.551 914 HG11 VAL 121 HG11 VAL 121 12.035 -1.386 -2.588 915 HG12 VAL 121 HG12 VAL 121 12.516 -1.228 -4.277 916 HG13 VAL 121 HG13 VAL 121 10.954 -1.938 -3.867 917 HG21 VAL 121 HG21 VAL 121 9.129 0.181 -4.623 918 HG22 VAL 121 HG22 VAL 121 9.090 0.795 -2.971 919 HG23 VAL 121 HG23 VAL 121 9.254 -0.936 -3.265 920 H LEU 122 H LEU 122 13.215 2.282 -3.784 921 HA LEU 122 HA LEU 122 15.520 0.739 -3.062 922 HB2 LEU 122 HB2 LEU 122 15.313 3.419 -4.455 923 HB3 LEU 122 HB3 LEU 122 16.768 2.427 -4.355 924 HG LEU 122 HG LEU 122 14.150 1.576 -5.633 925 HD11 LEU 122 HD11 LEU 122 15.083 3.075 -7.168 926 HD12 LEU 122 HD12 LEU 122 15.799 1.546 -7.675 927 HD13 LEU 122 HD13 LEU 122 16.738 2.677 -6.701 928 HD21 LEU 122 HD21 LEU 122 15.057 -0.460 -5.054 929 HD22 LEU 122 HD22 LEU 122 16.695 0.186 -4.939 930 HD23 LEU 122 HD23 LEU 122 15.999 -0.179 -6.517 931 H ASN 123 H ASN 123 13.882 3.404 -1.658 932 HA ASN 123 HA ASN 123 14.312 4.707 0.182 933 HB2 ASN 123 HB2 ASN 123 16.362 2.546 0.723 934 HB3 ASN 123 HB3 ASN 123 15.896 3.798 1.869 935 HD21 ASN 123 HD21 ASN 123 15.488 0.921 2.274 936 HD22 ASN 123 HD22 ASN 123 13.813 0.674 2.380 937 H ARG 124 H ARG 124 15.452 5.564 -2.183 938 HA ARG 124 HA ARG 124 18.117 6.541 -1.360 939 HB2 ARG 124 HB2 ARG 124 16.889 6.273 -4.113 940 HB3 ARG 124 HB3 ARG 124 18.455 7.015 -3.785 941 HG2 ARG 124 HG2 ARG 124 19.219 4.892 -2.743 942 HG3 ARG 124 HG3 ARG 124 17.671 4.154 -3.156 943 HD2 ARG 124 HD2 ARG 124 19.244 3.549 -4.882 944 HD3 ARG 124 HD3 ARG 124 18.128 4.729 -5.566 945 HE ARG 124 HE ARG 124 19.938 6.136 -5.863 946 HH11 ARG 124 HH11 ARG 124 20.614 3.799 -3.402 947 HH12 ARG 124 HH12 ARG 124 22.255 4.305 -3.179 948 HH21 ARG 124 HH21 ARG 124 22.090 6.805 -5.575 949 HH22 ARG 124 HH22 ARG 124 23.091 6.007 -4.410 950 HHA HEB 125 HHA HEB 125 4.452 -2.713 6.175 951 HHB HEB 125 HHB HEB 125 2.284 1.299 1.787 952 HHC HEB 125 HHC HEB 125 5.211 -2.074 -2.718 953 HHD HEB 125 HHD HEB 125 7.289 -6.114 1.650 954 HMA1 HEB 125 HMA1 HEB 125 1.246 1.331 5.406 955 HMA2 HEB 125 HMA2 HEB 125 1.074 1.541 3.669 956 HMA3 HEB 125 HMA3 HEB 125 2.388 2.346 4.527 957 HAA1 HEB 125 HAA1 HEB 125 2.692 0.524 6.927 958 HAA2 HEB 125 HAA2 HEB 125 3.835 -0.784 7.166 959 HBA1 HEB 125 HBA1 HEB 125 2.070 -2.435 7.002 960 HBA2 HEB 125 HBA2 HEB 125 0.897 -1.193 6.572 961 HMB1 HEB 125 HMB1 HEB 125 2.507 2.587 -0.093 962 HMB2 HEB 125 HMB2 HEB 125 1.199 1.620 -0.774 963 HMB3 HEB 125 HMB3 HEB 125 2.440 2.296 -1.830 964 HAB2 HEB 125 HAB2 HEB 125 4.136 -0.509 -3.681 965 HBB1 HEB 125 HBB1 HEB 125 2.001 1.356 -3.990 966 HBB2 HEB 125 HBB2 HEB 125 1.507 0.118 -2.836 967 HBB3 HEB 125 HBB3 HEB 125 2.050 -0.347 -4.447 968 HMC1 HEB 125 HMC1 HEB 125 7.455 -3.508 -3.469 969 HMC2 HEB 125 HMC2 HEB 125 5.811 -4.096 -3.720 970 HMC3 HEB 125 HMC3 HEB 125 7.126 -5.239 -3.444 971 HAC HEB 125 HAC HEB 125 8.778 -6.130 -0.855 972 HBC1 HEB 125 HBC1 HEB 125 6.072 -7.449 -1.562 973 HBC2 HEB 125 HBC2 HEB 125 7.749 -8.249 -1.576 974 HMD1 HEB 125 HMD1 HEB 125 8.137 -6.703 3.633 975 HMD2 HEB 125 HMD2 HEB 125 6.702 -7.544 4.217 976 HMD3 HEB 125 HMD3 HEB 125 7.746 -6.680 5.347 977 HAD1 HEB 125 HAD1 HEB 125 6.079 -6.057 6.726 978 HAD2 HEB 125 HAD2 HEB 125 4.897 -4.784 6.961 979 HBD1 HEB 125 HBD1 HEB 125 7.031 -3.224 6.893 980 HBD2 HEB 125 HBD2 HEB 125 7.861 -4.710 7.348 Start of MODEL 6 1 H1 ALA 2 H1 ALA 2 -11.829 4.733 4.759 2 H2 ALA 2 H2 ALA 2 -11.377 5.797 6.004 3 H3 ALA 2 H3 ALA 2 -12.371 4.461 6.342 4 HA ALA 2 HA ALA 2 -9.526 4.383 5.499 5 HB1 ALA 2 HB1 ALA 2 -9.859 2.984 7.871 6 HB2 ALA 2 HB2 ALA 2 -10.928 4.373 8.071 7 HB3 ALA 2 HB3 ALA 2 -9.215 4.620 7.728 8 H SER 3 H SER 3 -12.198 3.136 4.483 9 HA SER 3 HA SER 3 -11.277 0.327 4.639 10 HB2 SER 3 HB2 SER 3 -14.113 1.327 4.301 11 HB3 SER 3 HB3 SER 3 -13.605 -0.357 4.377 12 HG SER 3 HG SER 3 -13.427 1.629 6.392 13 H LEU 4 H LEU 4 -11.099 -0.809 2.770 14 HA LEU 4 HA LEU 4 -10.807 0.633 0.336 15 HB2 LEU 4 HB2 LEU 4 -9.489 -1.391 0.937 16 HB3 LEU 4 HB3 LEU 4 -10.948 -2.361 0.735 17 HG LEU 4 HG LEU 4 -11.128 -1.490 -1.616 18 HD11 LEU 4 HD11 LEU 4 -8.800 0.053 -0.669 19 HD12 LEU 4 HD12 LEU 4 -9.921 0.400 -1.984 20 HD13 LEU 4 HD13 LEU 4 -8.573 -0.705 -2.245 21 HD21 LEU 4 HD21 LEU 4 -8.908 -2.729 -2.341 22 HD22 LEU 4 HD22 LEU 4 -10.214 -3.629 -1.571 23 HD23 LEU 4 HD23 LEU 4 -8.815 -3.122 -0.624 24 H TYR 5 H TYR 5 -13.347 -1.511 1.590 25 HA TYR 5 HA TYR 5 -14.788 -1.689 -0.851 26 HB2 TYR 5 HB2 TYR 5 -16.500 -2.732 0.365 27 HB3 TYR 5 HB3 TYR 5 -15.030 -3.173 1.233 28 HD1 TYR 5 HD1 TYR 5 -18.077 -1.101 1.280 29 HD2 TYR 5 HD2 TYR 5 -14.521 -2.213 3.416 30 HE1 TYR 5 HE1 TYR 5 -18.993 -0.068 3.341 31 HE2 TYR 5 HE2 TYR 5 -15.435 -1.177 5.478 32 HH TYR 5 HH TYR 5 -18.187 -0.673 6.214 33 H GLU 6 H GLU 6 -14.516 0.828 1.484 34 HA GLU 6 HA GLU 6 -17.008 2.073 1.267 35 HB2 GLU 6 HB2 GLU 6 -15.199 2.758 2.840 36 HB3 GLU 6 HB3 GLU 6 -14.322 3.453 1.477 37 HG2 GLU 6 HG2 GLU 6 -15.569 5.232 2.539 38 HG3 GLU 6 HG3 GLU 6 -16.341 4.877 0.995 39 H LYS 7 H LYS 7 -14.163 2.258 -0.835 40 HA LYS 7 HA LYS 7 -15.285 4.236 -2.581 41 HB2 LYS 7 HB2 LYS 7 -12.974 2.317 -2.939 42 HB3 LYS 7 HB3 LYS 7 -13.387 3.605 -4.072 43 HG2 LYS 7 HG2 LYS 7 -13.154 5.258 -2.212 44 HG3 LYS 7 HG3 LYS 7 -12.612 3.948 -1.162 45 HD2 LYS 7 HD2 LYS 7 -10.759 3.481 -2.773 46 HD3 LYS 7 HD3 LYS 7 -11.267 4.885 -3.713 47 HE2 LYS 7 HE2 LYS 7 -9.565 5.748 -2.331 48 HE3 LYS 7 HE3 LYS 7 -11.044 6.190 -1.478 49 HZ1 LYS 7 HZ1 LYS 7 -9.786 5.244 0.179 50 HZ2 LYS 7 HZ2 LYS 7 -9.098 4.077 -0.845 51 HZ3 LYS 7 HZ3 LYS 7 -10.709 3.917 -0.333 52 H LEU 8 H LEU 8 -14.725 0.724 -2.918 53 HA LEU 8 HA LEU 8 -15.997 0.469 -5.429 54 HB2 LEU 8 HB2 LEU 8 -15.659 -1.623 -3.267 55 HB3 LEU 8 HB3 LEU 8 -16.004 -1.933 -4.967 56 HG LEU 8 HG LEU 8 -13.516 -0.587 -3.870 57 HD11 LEU 8 HD11 LEU 8 -13.296 -3.017 -5.516 58 HD12 LEU 8 HD12 LEU 8 -14.115 -3.274 -3.975 59 HD13 LEU 8 HD13 LEU 8 -12.484 -2.605 -4.005 60 HD21 LEU 8 HD21 LEU 8 -13.769 0.420 -5.956 61 HD22 LEU 8 HD22 LEU 8 -14.622 -0.966 -6.634 62 HD23 LEU 8 HD23 LEU 8 -12.876 -1.035 -6.400 63 H GLY 9 H GLY 9 -17.209 0.265 -2.127 64 HA2 GLY 9 HA2 GLY 9 -19.406 0.691 -1.432 65 HA3 GLY 9 HA3 GLY 9 -19.930 0.601 -3.110 66 H GLY 10 H GLY 10 -17.906 -1.984 -2.220 67 HA2 GLY 10 HA2 GLY 10 -20.114 -3.696 -1.333 68 HA3 GLY 10 HA3 GLY 10 -19.339 -4.112 -2.857 69 H ALA 11 H ALA 11 -19.278 -4.558 0.465 70 HA ALA 11 HA ALA 11 -16.502 -4.919 0.949 71 HB1 ALA 11 HB1 ALA 11 -17.193 -5.310 3.050 72 HB2 ALA 11 HB2 ALA 11 -18.221 -6.647 2.536 73 HB3 ALA 11 HB3 ALA 11 -18.827 -4.991 2.471 74 H ALA 12 H ALA 12 -19.050 -7.060 -0.216 75 HA ALA 12 HA ALA 12 -17.628 -9.490 -0.020 76 HB1 ALA 12 HB1 ALA 12 -19.347 -9.546 -2.299 77 HB2 ALA 12 HB2 ALA 12 -20.139 -8.614 -1.029 78 HB3 ALA 12 HB3 ALA 12 -19.609 -10.265 -0.710 79 H ALA 13 H ALA 13 -17.780 -7.031 -2.557 80 HA ALA 13 HA ALA 13 -16.362 -8.483 -4.533 81 HB1 ALA 13 HB1 ALA 13 -17.601 -5.996 -4.371 82 HB2 ALA 13 HB2 ALA 13 -16.757 -6.653 -5.772 83 HB3 ALA 13 HB3 ALA 13 -15.900 -5.614 -4.634 84 H VAL 14 H VAL 14 -15.317 -6.333 -1.926 85 HA VAL 14 HA VAL 14 -12.601 -6.135 -2.683 86 HB VAL 14 HB VAL 14 -13.946 -5.918 0.017 87 HG11 VAL 14 HG11 VAL 14 -11.586 -4.520 0.177 88 HG12 VAL 14 HG12 VAL 14 -11.105 -5.930 -0.766 89 HG13 VAL 14 HG13 VAL 14 -11.834 -6.141 0.826 90 HG21 VAL 14 HG21 VAL 14 -13.399 -3.464 -0.429 91 HG22 VAL 14 HG22 VAL 14 -14.648 -4.163 -1.458 92 HG23 VAL 14 HG23 VAL 14 -13.013 -3.944 -2.082 93 H ASP 15 H ASP 15 -14.296 -8.393 -0.523 94 HA ASP 15 HA ASP 15 -12.041 -9.815 0.366 95 HB2 ASP 15 HB2 ASP 15 -14.908 -10.700 -0.004 96 HB3 ASP 15 HB3 ASP 15 -13.679 -11.656 0.822 97 H LEU 16 H LEU 16 -14.115 -10.269 -2.474 98 HA LEU 16 HA LEU 16 -12.986 -12.703 -3.351 99 HB2 LEU 16 HB2 LEU 16 -15.125 -11.748 -4.197 100 HB3 LEU 16 HB3 LEU 16 -14.202 -10.507 -5.043 101 HG LEU 16 HG LEU 16 -12.957 -12.343 -6.236 102 HD11 LEU 16 HD11 LEU 16 -13.171 -14.290 -4.988 103 HD12 LEU 16 HD12 LEU 16 -14.430 -14.546 -6.195 104 HD13 LEU 16 HD13 LEU 16 -14.858 -13.971 -4.585 105 HD21 LEU 16 HD21 LEU 16 -15.349 -13.127 -7.344 106 HD22 LEU 16 HD22 LEU 16 -14.511 -11.625 -7.733 107 HD23 LEU 16 HD23 LEU 16 -15.801 -11.629 -6.531 108 H ALA 17 H ALA 17 -12.150 -9.324 -4.027 109 HA ALA 17 HA ALA 17 -10.121 -9.909 -5.938 110 HB1 ALA 17 HB1 ALA 17 -9.635 -7.616 -5.893 111 HB2 ALA 17 HB2 ALA 17 -10.135 -7.446 -4.211 112 HB3 ALA 17 HB3 ALA 17 -11.346 -7.671 -5.472 113 H VAL 18 H VAL 18 -10.069 -9.261 -2.450 114 HA VAL 18 HA VAL 18 -7.250 -9.347 -2.162 115 HB VAL 18 HB VAL 18 -9.482 -9.817 -0.178 116 HG11 VAL 18 HG11 VAL 18 -6.485 -9.761 0.120 117 HG12 VAL 18 HG12 VAL 18 -7.646 -10.883 0.831 118 HG13 VAL 18 HG13 VAL 18 -7.524 -9.234 1.444 119 HG21 VAL 18 HG21 VAL 18 -9.483 -7.562 0.112 120 HG22 VAL 18 HG22 VAL 18 -8.680 -7.510 -1.457 121 HG23 VAL 18 HG23 VAL 18 -7.726 -7.463 0.025 122 H GLU 19 H GLU 19 -9.770 -11.829 -1.839 123 HA GLU 19 HA GLU 19 -8.114 -13.891 -0.869 124 HB2 GLU 19 HB2 GLU 19 -10.602 -13.948 -0.863 125 HB3 GLU 19 HB3 GLU 19 -10.572 -14.173 -2.612 126 HG2 GLU 19 HG2 GLU 19 -9.194 -16.225 -2.289 127 HG3 GLU 19 HG3 GLU 19 -9.348 -16.022 -0.545 128 H LYS 20 H LYS 20 -9.074 -13.065 -4.204 129 HA LYS 20 HA LYS 20 -7.644 -15.169 -5.444 130 HB2 LYS 20 HB2 LYS 20 -8.531 -12.474 -6.490 131 HB3 LYS 20 HB3 LYS 20 -7.829 -13.740 -7.498 132 HG2 LYS 20 HG2 LYS 20 -9.630 -15.284 -6.829 133 HG3 LYS 20 HG3 LYS 20 -10.328 -14.032 -5.803 134 HD2 LYS 20 HD2 LYS 20 -11.529 -14.064 -7.918 135 HD3 LYS 20 HD3 LYS 20 -10.578 -12.581 -7.828 136 HE2 LYS 20 HE2 LYS 20 -9.255 -13.185 -9.567 137 HE3 LYS 20 HE3 LYS 20 -9.121 -14.851 -9.005 138 HZ1 LYS 20 HZ1 LYS 20 -11.755 -14.182 -9.915 139 HZ2 LYS 20 HZ2 LYS 20 -10.765 -15.498 -10.333 140 HZ3 LYS 20 HZ3 LYS 20 -10.584 -14.009 -11.130 141 H PHE 21 H PHE 21 -6.772 -11.813 -4.692 142 HA PHE 21 HA PHE 21 -4.236 -11.837 -5.943 143 HB2 PHE 21 HB2 PHE 21 -5.403 -9.769 -5.225 144 HB3 PHE 21 HB3 PHE 21 -5.123 -10.219 -3.542 145 HD1 PHE 21 HD1 PHE 21 -3.504 -9.193 -6.708 146 HD2 PHE 21 HD2 PHE 21 -2.930 -10.054 -2.539 147 HE1 PHE 21 HE1 PHE 21 -1.235 -8.197 -6.813 148 HE2 PHE 21 HE2 PHE 21 -0.662 -9.058 -2.645 149 HZ PHE 21 HZ PHE 21 0.186 -8.129 -4.783 150 H TYR 22 H TYR 22 -5.259 -12.542 -2.620 151 HA TYR 22 HA TYR 22 -2.722 -12.945 -1.501 152 HB2 TYR 22 HB2 TYR 22 -4.795 -12.762 -0.174 153 HB3 TYR 22 HB3 TYR 22 -5.314 -14.334 -0.784 154 HD1 TYR 22 HD1 TYR 22 -2.788 -12.583 1.284 155 HD2 TYR 22 HD2 TYR 22 -4.346 -16.383 0.024 156 HE1 TYR 22 HE1 TYR 22 -1.456 -13.713 3.045 157 HE2 TYR 22 HE2 TYR 22 -3.014 -17.513 1.785 158 HH TYR 22 HH TYR 22 -1.190 -15.663 4.178 159 H GLY 23 H GLY 23 -4.901 -15.221 -3.143 160 HA2 GLY 23 HA2 GLY 23 -3.439 -17.571 -2.701 161 HA3 GLY 23 HA3 GLY 23 -4.509 -17.291 -4.072 162 H LYS 24 H LYS 24 -3.211 -15.176 -5.319 163 HA LYS 24 HA LYS 24 -1.248 -16.508 -6.840 164 HB2 LYS 24 HB2 LYS 24 -2.623 -14.588 -7.645 165 HB3 LYS 24 HB3 LYS 24 -1.692 -13.523 -6.596 166 HG2 LYS 24 HG2 LYS 24 -0.613 -13.318 -8.682 167 HG3 LYS 24 HG3 LYS 24 0.391 -14.480 -7.818 168 HD2 LYS 24 HD2 LYS 24 -0.608 -16.333 -8.986 169 HD3 LYS 24 HD3 LYS 24 -1.855 -15.296 -9.679 170 HE2 LYS 24 HE2 LYS 24 0.476 -15.966 -10.948 171 HE3 LYS 24 HE3 LYS 24 -0.478 -14.529 -11.314 172 HZ1 LYS 24 HZ1 LYS 24 1.666 -14.600 -9.266 173 HZ2 LYS 24 HZ2 LYS 24 0.855 -13.232 -9.862 174 HZ3 LYS 24 HZ3 LYS 24 1.916 -14.098 -10.867 175 H VAL 25 H VAL 25 -1.008 -14.186 -4.181 176 HA VAL 25 HA VAL 25 1.790 -13.811 -4.271 177 HB VAL 25 HB VAL 25 -0.169 -13.603 -1.976 178 HG11 VAL 25 HG11 VAL 25 1.732 -12.117 -1.047 179 HG12 VAL 25 HG12 VAL 25 2.772 -12.960 -2.194 180 HG13 VAL 25 HG13 VAL 25 1.938 -13.865 -0.930 181 HG21 VAL 25 HG21 VAL 25 0.137 -12.050 -4.255 182 HG22 VAL 25 HG22 VAL 25 1.108 -11.193 -3.056 183 HG23 VAL 25 HG23 VAL 25 -0.598 -11.513 -2.744 184 H LEU 26 H LEU 26 -0.235 -16.154 -2.549 185 HA LEU 26 HA LEU 26 1.750 -17.349 -0.977 186 HB2 LEU 26 HB2 LEU 26 -0.696 -17.761 -0.747 187 HB3 LEU 26 HB3 LEU 26 -0.646 -18.704 -2.235 188 HG LEU 26 HG LEU 26 1.098 -20.174 -1.162 189 HD11 LEU 26 HD11 LEU 26 0.515 -18.294 1.102 190 HD12 LEU 26 HD12 LEU 26 2.055 -18.983 0.589 191 HD13 LEU 26 HD13 LEU 26 0.894 -19.976 1.469 192 HD21 LEU 26 HD21 LEU 26 -1.631 -19.915 0.131 193 HD22 LEU 26 HD22 LEU 26 -0.558 -21.290 0.396 194 HD23 LEU 26 HD23 LEU 26 -1.183 -20.957 -1.220 195 H ALA 27 H ALA 27 0.807 -17.898 -4.331 196 HA ALA 27 HA ALA 27 2.299 -20.246 -4.786 197 HB1 ALA 27 HB1 ALA 27 1.847 -18.133 -6.882 198 HB2 ALA 27 HB2 ALA 27 0.520 -19.128 -6.280 199 HB3 ALA 27 HB3 ALA 27 1.899 -19.886 -7.076 200 H ASP 28 H ASP 28 3.190 -16.832 -4.875 201 HA ASP 28 HA ASP 28 5.832 -17.396 -5.935 202 HB2 ASP 28 HB2 ASP 28 4.638 -15.298 -6.488 203 HB3 ASP 28 HB3 ASP 28 4.704 -14.832 -4.790 204 H GLU 29 H GLU 29 7.017 -18.597 -4.531 205 HA GLU 29 HA GLU 29 7.032 -18.164 -1.699 206 HB2 GLU 29 HB2 GLU 29 8.892 -19.734 -3.498 207 HB3 GLU 29 HB3 GLU 29 8.943 -19.762 -1.735 208 HG2 GLU 29 HG2 GLU 29 6.580 -20.532 -1.702 209 HG3 GLU 29 HG3 GLU 29 6.588 -20.573 -3.464 210 H ARG 30 H ARG 30 8.860 -16.925 -4.393 211 HA ARG 30 HA ARG 30 11.218 -16.122 -3.165 212 HB2 ARG 30 HB2 ARG 30 9.645 -14.741 -5.349 213 HB3 ARG 30 HB3 ARG 30 11.314 -14.364 -4.920 214 HG2 ARG 30 HG2 ARG 30 11.927 -16.742 -5.374 215 HG3 ARG 30 HG3 ARG 30 10.274 -17.030 -5.918 216 HD2 ARG 30 HD2 ARG 30 12.234 -15.060 -7.125 217 HD3 ARG 30 HD3 ARG 30 11.710 -16.579 -7.846 218 HE ARG 30 HE ARG 30 9.583 -14.690 -7.219 219 HH11 ARG 30 HH11 ARG 30 11.838 -15.947 -9.522 220 HH12 ARG 30 HH12 ARG 30 10.948 -15.396 -10.901 221 HH21 ARG 30 HH21 ARG 30 8.409 -13.962 -9.023 222 HH22 ARG 30 HH22 ARG 30 9.008 -14.271 -10.620 223 H VAL 31 H VAL 31 8.083 -14.433 -3.259 224 HA VAL 31 HA VAL 31 9.119 -12.157 -1.815 225 HB VAL 31 HB VAL 31 6.750 -11.428 -1.749 226 HG11 VAL 31 HG11 VAL 31 7.928 -12.404 -4.358 227 HG12 VAL 31 HG12 VAL 31 7.968 -10.773 -3.690 228 HG13 VAL 31 HG13 VAL 31 6.453 -11.439 -4.297 229 HG21 VAL 31 HG21 VAL 31 6.196 -13.971 -3.298 230 HG22 VAL 31 HG22 VAL 31 5.021 -12.778 -2.746 231 HG23 VAL 31 HG23 VAL 31 5.856 -13.802 -1.577 232 H ASN 32 H ASN 32 7.490 -15.145 -1.035 233 HA ASN 32 HA ASN 32 6.537 -14.562 1.528 234 HB2 ASN 32 HB2 ASN 32 7.624 -17.154 0.408 235 HB3 ASN 32 HB3 ASN 32 6.743 -17.015 1.929 236 HD21 ASN 32 HD21 ASN 32 5.711 -18.591 -0.217 237 HD22 ASN 32 HD22 ASN 32 4.311 -17.838 -0.812 238 H ARG 33 H ARG 33 9.779 -15.318 0.416 239 HA ARG 33 HA ARG 33 11.013 -16.031 2.799 240 HB2 ARG 33 HB2 ARG 33 12.116 -14.405 0.500 241 HB3 ARG 33 HB3 ARG 33 13.094 -15.132 1.775 242 HG2 ARG 33 HG2 ARG 33 12.195 -17.364 1.163 243 HG3 ARG 33 HG3 ARG 33 11.282 -16.620 -0.149 244 HD2 ARG 33 HD2 ARG 33 13.314 -17.484 -1.105 245 HD3 ARG 33 HD3 ARG 33 13.470 -15.731 -1.046 246 HE ARG 33 HE ARG 33 15.155 -15.975 0.551 247 HH11 ARG 33 HH11 ARG 33 13.449 -18.937 0.018 248 HH12 ARG 33 HH12 ARG 33 14.569 -19.906 0.916 249 HH21 ARG 33 HH21 ARG 33 16.630 -17.238 1.730 250 HH22 ARG 33 HH22 ARG 33 16.372 -18.944 1.886 251 H PHE 34 H PHE 34 10.282 -12.799 1.547 252 HA PHE 34 HA PHE 34 11.676 -11.369 3.570 253 HB2 PHE 34 HB2 PHE 34 9.427 -10.583 1.714 254 HB3 PHE 34 HB3 PHE 34 10.207 -9.453 2.823 255 HD1 PHE 34 HD1 PHE 34 12.580 -8.848 2.552 256 HD2 PHE 34 HD2 PHE 34 10.596 -11.451 -0.228 257 HE1 PHE 34 HE1 PHE 34 14.437 -8.539 0.938 258 HE2 PHE 34 HE2 PHE 34 12.453 -11.142 -1.843 259 HZ PHE 34 HZ PHE 34 14.374 -9.687 -1.259 260 H PHE 35 H PHE 35 8.450 -12.730 3.378 261 HA PHE 35 HA PHE 35 7.543 -11.347 5.761 262 HB2 PHE 35 HB2 PHE 35 6.287 -13.503 4.056 263 HB3 PHE 35 HB3 PHE 35 5.506 -12.776 5.461 264 HD1 PHE 35 HD1 PHE 35 4.988 -10.332 5.483 265 HD2 PHE 35 HD2 PHE 35 6.463 -12.318 1.973 266 HE1 PHE 35 HE1 PHE 35 4.256 -8.415 4.091 267 HE2 PHE 35 HE2 PHE 35 5.733 -10.400 0.580 268 HZ PHE 35 HZ PHE 35 4.629 -8.449 1.640 269 H VAL 36 H VAL 36 9.737 -13.667 5.460 270 HA VAL 36 HA VAL 36 8.905 -15.800 7.083 271 HB VAL 36 HB VAL 36 11.637 -14.584 6.646 272 HG11 VAL 36 HG11 VAL 36 10.705 -16.816 8.396 273 HG12 VAL 36 HG12 VAL 36 12.066 -15.715 8.611 274 HG13 VAL 36 HG13 VAL 36 12.195 -17.066 7.485 275 HG21 VAL 36 HG21 VAL 36 10.819 -17.293 5.707 276 HG22 VAL 36 HG22 VAL 36 11.851 -16.097 4.924 277 HG23 VAL 36 HG23 VAL 36 10.097 -15.912 4.882 278 H ASN 37 H ASN 37 10.296 -12.654 7.913 279 HA ASN 37 HA ASN 37 10.310 -13.265 10.754 280 HB2 ASN 37 HB2 ASN 37 10.881 -10.696 9.256 281 HB3 ASN 37 HB3 ASN 37 11.108 -10.933 10.988 282 HD21 ASN 37 HD21 ASN 37 13.312 -10.281 9.275 283 HD22 ASN 37 HD22 ASN 37 14.354 -11.619 9.218 284 H THR 38 H THR 38 7.890 -12.695 8.698 285 HA THR 38 HA THR 38 6.340 -11.121 10.667 286 HB THR 38 HB THR 38 5.918 -11.230 7.671 287 HG1 THR 38 HG1 THR 38 7.692 -10.006 8.019 288 HG21 THR 38 HG21 THR 38 4.543 -9.830 9.959 289 HG22 THR 38 HG22 THR 38 3.825 -10.791 8.665 290 HG23 THR 38 HG23 THR 38 4.467 -9.185 8.318 291 H ASP 39 H ASP 39 4.341 -11.891 11.254 292 HA ASP 39 HA ASP 39 3.859 -14.691 10.794 293 HB2 ASP 39 HB2 ASP 39 1.897 -14.340 12.266 294 HB3 ASP 39 HB3 ASP 39 3.391 -13.735 12.977 295 H MET 40 H MET 40 1.733 -15.512 10.132 296 HA MET 40 HA MET 40 1.039 -14.669 7.541 297 HB2 MET 40 HB2 MET 40 -0.516 -16.379 9.496 298 HB3 MET 40 HB3 MET 40 -0.840 -16.259 7.767 299 HG2 MET 40 HG2 MET 40 1.777 -17.191 8.984 300 HG3 MET 40 HG3 MET 40 0.541 -18.252 8.311 301 HE1 MET 40 HE1 MET 40 -0.297 -18.312 6.179 302 HE2 MET 40 HE2 MET 40 0.508 -17.857 4.679 303 HE3 MET 40 HE3 MET 40 -0.444 -16.662 5.557 304 H ALA 41 H ALA 41 -0.359 -13.916 10.692 305 HA ALA 41 HA ALA 41 -2.771 -12.767 9.788 306 HB1 ALA 41 HB1 ALA 41 -3.138 -12.314 11.977 307 HB2 ALA 41 HB2 ALA 41 -1.558 -11.561 12.189 308 HB3 ALA 41 HB3 ALA 41 -1.710 -13.318 12.231 309 H LYS 42 H LYS 42 0.239 -11.122 10.812 310 HA LYS 42 HA LYS 42 -0.587 -8.538 10.058 311 HB2 LYS 42 HB2 LYS 42 2.230 -9.635 10.190 312 HB3 LYS 42 HB3 LYS 42 1.780 -7.931 10.199 313 HG2 LYS 42 HG2 LYS 42 0.835 -9.919 12.280 314 HG3 LYS 42 HG3 LYS 42 2.249 -8.887 12.487 315 HD2 LYS 42 HD2 LYS 42 0.653 -6.925 11.940 316 HD3 LYS 42 HD3 LYS 42 -0.647 -8.074 12.255 317 HE2 LYS 42 HE2 LYS 42 0.548 -8.576 14.470 318 HE3 LYS 42 HE3 LYS 42 1.490 -7.118 14.160 319 HZ1 LYS 42 HZ1 LYS 42 -0.283 -6.324 15.371 320 HZ2 LYS 42 HZ2 LYS 42 -1.400 -7.389 14.661 321 HZ3 LYS 42 HZ3 LYS 42 -0.813 -6.058 13.782 322 H GLN 43 H GLN 43 0.963 -11.121 8.237 323 HA GLN 43 HA GLN 43 1.828 -9.692 6.007 324 HB2 GLN 43 HB2 GLN 43 2.264 -12.117 6.453 325 HB3 GLN 43 HB3 GLN 43 0.602 -12.458 5.967 326 HG2 GLN 43 HG2 GLN 43 1.065 -11.374 3.767 327 HG3 GLN 43 HG3 GLN 43 2.748 -11.176 4.253 328 HE21 GLN 43 HE21 GLN 43 1.934 -13.993 5.719 329 HE22 GLN 43 HE22 GLN 43 2.335 -15.097 4.493 330 H LYS 44 H LYS 44 -1.375 -11.081 6.684 331 HA LYS 44 HA LYS 44 -2.564 -10.421 4.215 332 HB2 LYS 44 HB2 LYS 44 -3.788 -10.744 6.963 333 HB3 LYS 44 HB3 LYS 44 -4.718 -10.605 5.470 334 HG2 LYS 44 HG2 LYS 44 -3.492 -12.592 4.575 335 HG3 LYS 44 HG3 LYS 44 -2.697 -12.765 6.140 336 HD2 LYS 44 HD2 LYS 44 -4.942 -12.958 7.216 337 HD3 LYS 44 HD3 LYS 44 -5.680 -12.907 5.615 338 HE2 LYS 44 HE2 LYS 44 -3.702 -14.856 5.375 339 HE3 LYS 44 HE3 LYS 44 -4.382 -15.136 6.979 340 HZ1 LYS 44 HZ1 LYS 44 -5.749 -15.160 4.364 341 HZ2 LYS 44 HZ2 LYS 44 -6.622 -14.903 5.798 342 HZ3 LYS 44 HZ3 LYS 44 -5.753 -16.346 5.576 343 H GLN 45 H GLN 45 -2.145 -8.593 7.201 344 HA GLN 45 HA GLN 45 -3.831 -6.423 6.608 345 HB2 GLN 45 HB2 GLN 45 -2.784 -6.888 8.832 346 HB3 GLN 45 HB3 GLN 45 -1.244 -6.331 8.174 347 HG2 GLN 45 HG2 GLN 45 -2.240 -4.139 7.667 348 HG3 GLN 45 HG3 GLN 45 -3.791 -4.689 8.299 349 HE21 GLN 45 HE21 GLN 45 -2.760 -2.476 9.556 350 HE22 GLN 45 HE22 GLN 45 -2.125 -2.884 11.076 351 H HIS 46 H HIS 46 -0.433 -7.029 5.794 352 HA HIS 46 HA HIS 46 0.176 -4.500 4.738 353 HB2 HIS 46 HB2 HIS 46 1.855 -6.272 5.214 354 HB3 HIS 46 HB3 HIS 46 1.259 -7.172 3.818 355 HD1 HIS 46 HD1 HIS 46 2.023 -6.416 1.515 356 HD2 HIS 46 HD2 HIS 46 3.111 -3.733 4.515 357 HE1 HIS 46 HE1 HIS 46 3.567 -4.723 0.436 358 H GLN 47 H GLN 47 -1.162 -7.398 3.169 359 HA GLN 47 HA GLN 47 -1.223 -6.382 0.543 360 HB2 GLN 47 HB2 GLN 47 -2.857 -8.480 1.962 361 HB3 GLN 47 HB3 GLN 47 -3.138 -8.071 0.271 362 HG2 GLN 47 HG2 GLN 47 -1.497 -10.012 0.804 363 HG3 GLN 47 HG3 GLN 47 -1.011 -8.816 -0.395 364 HE21 GLN 47 HE21 GLN 47 0.065 -10.422 2.365 365 HE22 GLN 47 HE22 GLN 47 1.288 -9.340 2.828 366 H LYS 48 H LYS 48 -3.496 -6.073 3.228 367 HA LYS 48 HA LYS 48 -5.665 -4.983 1.815 368 HB2 LYS 48 HB2 LYS 48 -5.726 -5.744 4.194 369 HB3 LYS 48 HB3 LYS 48 -4.794 -4.317 4.639 370 HG2 LYS 48 HG2 LYS 48 -7.015 -3.651 5.038 371 HG3 LYS 48 HG3 LYS 48 -6.679 -2.981 3.442 372 HD2 LYS 48 HD2 LYS 48 -7.846 -4.787 2.353 373 HD3 LYS 48 HD3 LYS 48 -7.987 -5.680 3.868 374 HE2 LYS 48 HE2 LYS 48 -9.903 -4.608 4.347 375 HE3 LYS 48 HE3 LYS 48 -9.077 -3.052 4.242 376 HZ1 LYS 48 HZ1 LYS 48 -10.970 -3.391 2.654 377 HZ2 LYS 48 HZ2 LYS 48 -10.009 -4.544 1.857 378 HZ3 LYS 48 HZ3 LYS 48 -9.502 -2.924 1.943 379 H ASP 49 H ASP 49 -2.941 -3.372 3.449 380 HA ASP 49 HA ASP 49 -3.705 -0.732 2.720 381 HB2 ASP 49 HB2 ASP 49 -1.022 -1.889 3.504 382 HB3 ASP 49 HB3 ASP 49 -1.341 -0.166 3.312 383 H PHE 50 H PHE 50 -1.591 -3.151 1.262 384 HA PHE 50 HA PHE 50 -0.448 -1.573 -0.758 385 HB2 PHE 50 HB2 PHE 50 0.314 -3.853 -0.132 386 HB3 PHE 50 HB3 PHE 50 -1.140 -4.517 -0.876 387 HD1 PHE 50 HD1 PHE 50 2.048 -2.757 -1.510 388 HD2 PHE 50 HD2 PHE 50 -1.408 -4.594 -3.282 389 HE1 PHE 50 HE1 PHE 50 3.161 -2.714 -3.726 390 HE2 PHE 50 HE2 PHE 50 -0.295 -4.551 -5.498 391 HZ PHE 50 HZ PHE 50 1.989 -3.611 -5.719 392 H MET 51 H MET 51 -3.399 -3.560 -0.777 393 HA MET 51 HA MET 51 -4.101 -3.117 -3.466 394 HB2 MET 51 HB2 MET 51 -5.093 -4.859 -1.967 395 HB3 MET 51 HB3 MET 51 -5.987 -3.579 -1.147 396 HG2 MET 51 HG2 MET 51 -7.481 -4.459 -2.788 397 HG3 MET 51 HG3 MET 51 -6.899 -2.931 -3.444 398 HE1 MET 51 HE1 MET 51 -7.353 -6.562 -3.752 399 HE2 MET 51 HE2 MET 51 -6.994 -6.802 -5.459 400 HE3 MET 51 HE3 MET 51 -8.199 -5.610 -4.979 401 H THR 52 H THR 52 -4.845 -1.305 -0.516 402 HA THR 52 HA THR 52 -6.716 0.487 -1.607 403 HB THR 52 HB THR 52 -4.719 1.035 0.600 404 HG1 THR 52 HG1 THR 52 -5.817 -0.403 1.630 405 HG21 THR 52 HG21 THR 52 -7.341 2.197 0.901 406 HG22 THR 52 HG22 THR 52 -6.652 2.672 -0.651 407 HG23 THR 52 HG23 THR 52 -5.775 3.004 0.842 408 H TYR 53 H TYR 53 -3.182 0.603 -1.468 409 HA TYR 53 HA TYR 53 -2.820 3.221 -2.411 410 HB2 TYR 53 HB2 TYR 53 -1.030 1.782 -1.434 411 HB3 TYR 53 HB3 TYR 53 -1.025 0.840 -2.926 412 HD1 TYR 53 HD1 TYR 53 -0.385 4.190 -1.470 413 HD2 TYR 53 HD2 TYR 53 -0.019 1.686 -4.942 414 HE1 TYR 53 HE1 TYR 53 1.118 5.861 -2.517 415 HE2 TYR 53 HE2 TYR 53 1.484 3.360 -5.987 416 HH TYR 53 HH TYR 53 2.247 5.484 -5.848 417 H ALA 54 H ALA 54 -3.315 0.173 -4.125 418 HA ALA 54 HA ALA 54 -2.717 1.046 -6.726 419 HB1 ALA 54 HB1 ALA 54 -3.411 -1.016 -7.351 420 HB2 ALA 54 HB2 ALA 54 -4.947 -0.864 -6.498 421 HB3 ALA 54 HB3 ALA 54 -3.490 -1.325 -5.617 422 H PHE 55 H PHE 55 -5.586 1.457 -4.751 423 HA PHE 55 HA PHE 55 -7.090 2.558 -7.005 424 HB2 PHE 55 HB2 PHE 55 -7.823 1.964 -4.138 425 HB3 PHE 55 HB3 PHE 55 -8.903 2.811 -5.245 426 HD1 PHE 55 HD1 PHE 55 -9.619 1.689 -7.385 427 HD2 PHE 55 HD2 PHE 55 -7.525 -0.405 -4.275 428 HE1 PHE 55 HE1 PHE 55 -10.334 -0.474 -8.362 429 HE2 PHE 55 HE2 PHE 55 -8.239 -2.570 -5.254 430 HZ PHE 55 HZ PHE 55 -9.644 -2.605 -7.296 431 H GLY 56 H GLY 56 -4.681 3.789 -5.420 432 HA2 GLY 56 HA2 GLY 56 -4.028 6.028 -5.301 433 HA3 GLY 56 HA3 GLY 56 -5.698 6.506 -5.584 434 H GLY 57 H GLY 57 -4.563 4.270 -3.098 435 HA2 GLY 57 HA2 GLY 57 -6.024 5.584 -1.036 436 HA3 GLY 57 HA3 GLY 57 -4.850 4.290 -0.810 437 H THR 58 H THR 58 -3.692 6.967 -2.578 438 HA THR 58 HA THR 58 -1.651 7.574 -0.721 439 HB THR 58 HB THR 58 -1.091 9.403 -2.210 440 HG1 THR 58 HG1 THR 58 -3.762 9.243 -2.726 441 HG21 THR 58 HG21 THR 58 -2.190 7.277 -4.032 442 HG22 THR 58 HG22 THR 58 -0.883 6.899 -2.909 443 HG23 THR 58 HG23 THR 58 -0.657 8.143 -4.139 444 H ASP 59 H ASP 59 -4.866 8.200 -0.464 445 HA ASP 59 HA ASP 59 -5.184 10.842 0.259 446 HB2 ASP 59 HB2 ASP 59 -6.992 9.121 0.153 447 HB3 ASP 59 HB3 ASP 59 -6.423 8.486 1.695 448 H ARG 60 H ARG 60 -3.804 8.203 2.175 449 HA ARG 60 HA ARG 60 -2.922 10.229 4.141 450 HB2 ARG 60 HB2 ARG 60 -4.785 8.803 5.022 451 HB3 ARG 60 HB3 ARG 60 -3.742 7.396 4.811 452 HG2 ARG 60 HG2 ARG 60 -2.068 8.405 6.317 453 HG3 ARG 60 HG3 ARG 60 -3.107 9.814 6.527 454 HD2 ARG 60 HD2 ARG 60 -3.466 8.348 8.414 455 HD3 ARG 60 HD3 ARG 60 -4.899 8.278 7.393 456 HE ARG 60 HE ARG 60 -3.381 6.211 6.474 457 HH11 ARG 60 HH11 ARG 60 -4.451 7.248 9.597 458 HH12 ARG 60 HH12 ARG 60 -4.520 5.649 10.257 459 HH21 ARG 60 HH21 ARG 60 -3.470 4.110 7.333 460 HH22 ARG 60 HH22 ARG 60 -3.965 3.871 8.976 461 H PHE 61 H PHE 61 -1.062 10.080 2.515 462 HA PHE 61 HA PHE 61 0.868 8.120 3.558 463 HB2 PHE 61 HB2 PHE 61 0.049 8.484 0.701 464 HB3 PHE 61 HB3 PHE 61 1.713 8.034 1.079 465 HD1 PHE 61 HD1 PHE 61 -1.840 7.041 1.492 466 HD2 PHE 61 HD2 PHE 61 2.265 5.844 1.875 467 HE1 PHE 61 HE1 PHE 61 -2.560 4.696 1.863 468 HE2 PHE 61 HE2 PHE 61 1.548 3.501 2.248 469 HZ PHE 61 HZ PHE 61 -0.865 2.926 2.241 470 HA PRO 62 HA PRO 62 2.342 12.589 3.150 471 HB2 PRO 62 HB2 PRO 62 3.175 12.756 5.792 472 HB3 PRO 62 HB3 PRO 62 1.613 13.332 5.181 473 HG2 PRO 62 HG2 PRO 62 2.272 10.842 6.646 474 HG3 PRO 62 HG3 PRO 62 0.811 11.844 6.708 475 HD2 PRO 62 HD2 PRO 62 0.929 9.466 5.366 476 HD3 PRO 62 HD3 PRO 62 -0.149 10.795 4.886 477 H GLY 63 H GLY 63 3.586 9.567 4.289 478 HA2 GLY 63 HA2 GLY 63 5.666 8.609 3.899 479 HA3 GLY 63 HA3 GLY 63 6.188 10.121 3.159 480 H ARG 64 H ARG 64 4.835 9.646 6.395 481 HA ARG 64 HA ARG 64 6.610 11.321 7.723 482 HB2 ARG 64 HB2 ARG 64 4.481 10.447 8.668 483 HB3 ARG 64 HB3 ARG 64 5.250 8.874 8.870 484 HG2 ARG 64 HG2 ARG 64 6.998 9.963 10.293 485 HG3 ARG 64 HG3 ARG 64 6.096 11.476 10.174 486 HD2 ARG 64 HD2 ARG 64 5.033 8.874 11.309 487 HD3 ARG 64 HD3 ARG 64 5.534 10.274 12.254 488 HE ARG 64 HE ARG 64 3.676 11.389 10.704 489 HH11 ARG 64 HH11 ARG 64 3.723 8.347 12.358 490 HH12 ARG 64 HH12 ARG 64 2.008 8.291 12.588 491 HH21 ARG 64 HH21 ARG 64 1.426 11.318 11.004 492 HH22 ARG 64 HH22 ARG 64 0.708 9.972 11.823 493 H SER 65 H SER 65 6.852 7.846 7.079 494 HA SER 65 HA SER 65 9.689 7.867 7.148 495 HB2 SER 65 HB2 SER 65 8.892 6.134 9.364 496 HB3 SER 65 HB3 SER 65 10.225 7.280 9.254 497 HG SER 65 HG SER 65 7.736 7.566 10.338 498 H MET 66 H MET 66 7.569 6.905 5.462 499 HA MET 66 HA MET 66 7.081 4.153 5.679 500 HB2 MET 66 HB2 MET 66 7.341 5.889 3.212 501 HB3 MET 66 HB3 MET 66 6.703 4.245 3.214 502 HG2 MET 66 HG2 MET 66 5.575 6.527 4.862 503 HG3 MET 66 HG3 MET 66 4.903 5.971 3.329 504 HE1 MET 66 HE1 MET 66 3.478 4.757 7.199 505 HE2 MET 66 HE2 MET 66 3.417 6.192 6.180 506 HE3 MET 66 HE3 MET 66 4.916 5.766 7.000 507 H ARG 67 H ARG 67 9.807 5.920 4.289 508 HA ARG 67 HA ARG 67 11.096 3.749 3.040 509 HB2 ARG 67 HB2 ARG 67 12.260 6.258 4.272 510 HB3 ARG 67 HB3 ARG 67 13.146 5.147 3.228 511 HG2 ARG 67 HG2 ARG 67 11.451 5.525 1.440 512 HG3 ARG 67 HG3 ARG 67 10.660 6.713 2.478 513 HD2 ARG 67 HD2 ARG 67 12.853 7.955 2.584 514 HD3 ARG 67 HD3 ARG 67 13.473 6.847 1.364 515 HE ARG 67 HE ARG 67 11.048 7.961 0.439 516 HH11 ARG 67 HH11 ARG 67 14.321 8.811 1.175 517 HH12 ARG 67 HH12 ARG 67 14.393 10.095 0.013 518 HH21 ARG 67 HH21 ARG 67 11.136 9.643 -1.086 519 HH22 ARG 67 HH22 ARG 67 12.591 10.566 -1.266 520 H ALA 68 H ALA 68 11.162 4.943 6.359 521 HA ALA 68 HA ALA 68 13.306 3.353 7.291 522 HB1 ALA 68 HB1 ALA 68 11.675 5.308 8.367 523 HB2 ALA 68 HB2 ALA 68 12.900 4.392 9.245 524 HB3 ALA 68 HB3 ALA 68 11.217 3.864 9.269 525 H ALA 69 H ALA 69 9.857 2.738 6.940 526 HA ALA 69 HA ALA 69 9.709 0.376 8.475 527 HB1 ALA 69 HB1 ALA 69 8.036 0.671 6.021 528 HB2 ALA 69 HB2 ALA 69 7.851 1.864 7.307 529 HB3 ALA 69 HB3 ALA 69 7.573 0.155 7.643 530 H HIS 70 H HIS 70 10.579 0.948 5.096 531 HA HIS 70 HA HIS 70 10.940 -1.925 4.652 532 HB2 HIS 70 HB2 HIS 70 11.207 0.443 2.784 533 HB3 HIS 70 HB3 HIS 70 11.411 -1.244 2.310 534 HD1 HIS 70 HD1 HIS 70 8.820 1.296 3.163 535 HD2 HIS 70 HD2 HIS 70 8.975 -2.796 2.384 536 HE1 HIS 70 HE1 HIS 70 6.430 0.547 2.793 537 H GLN 71 H GLN 71 12.744 0.815 5.575 538 HA GLN 71 HA GLN 71 15.259 0.303 4.449 539 HB2 GLN 71 HB2 GLN 71 14.623 2.367 5.707 540 HB3 GLN 71 HB3 GLN 71 14.713 1.434 7.201 541 HG2 GLN 71 HG2 GLN 71 16.833 2.527 6.952 542 HG3 GLN 71 HG3 GLN 71 17.093 0.830 6.551 543 HE21 GLN 71 HE21 GLN 71 18.562 0.783 4.838 544 HE22 GLN 71 HE22 GLN 71 18.467 1.765 3.457 545 H ASP 72 H ASP 72 13.716 -1.000 7.353 546 HA ASP 72 HA ASP 72 15.923 -2.330 8.452 547 HB2 ASP 72 HB2 ASP 72 12.983 -3.033 8.511 548 HB3 ASP 72 HB3 ASP 72 14.208 -3.828 9.498 549 H LEU 73 H LEU 73 13.622 -3.344 5.959 550 HA LEU 73 HA LEU 73 14.477 -6.023 5.733 551 HB2 LEU 73 HB2 LEU 73 13.319 -4.233 3.583 552 HB3 LEU 73 HB3 LEU 73 13.368 -5.995 3.554 553 HG LEU 73 HG LEU 73 11.894 -4.286 5.581 554 HD11 LEU 73 HD11 LEU 73 11.156 -5.046 3.003 555 HD12 LEU 73 HD12 LEU 73 10.060 -4.536 4.287 556 HD13 LEU 73 HD13 LEU 73 10.385 -6.251 4.036 557 HD21 LEU 73 HD21 LEU 73 10.962 -6.737 6.040 558 HD22 LEU 73 HD22 LEU 73 12.432 -6.166 6.831 559 HD23 LEU 73 HD23 LEU 73 12.542 -7.207 5.410 560 H VAL 74 H VAL 74 15.606 -3.043 4.200 561 HA VAL 74 HA VAL 74 17.359 -4.246 2.332 562 HB VAL 74 HB VAL 74 17.455 -1.522 3.649 563 HG11 VAL 74 HG11 VAL 74 19.531 -1.437 2.744 564 HG12 VAL 74 HG12 VAL 74 18.700 -1.340 1.191 565 HG13 VAL 74 HG13 VAL 74 19.267 -2.898 1.791 566 HG21 VAL 74 HG21 VAL 74 16.753 -1.219 1.002 567 HG22 VAL 74 HG22 VAL 74 15.612 -1.252 2.346 568 HG23 VAL 74 HG23 VAL 74 15.934 -2.722 1.427 569 H GLU 75 H GLU 75 17.837 -3.106 5.656 570 HA GLU 75 HA GLU 75 20.627 -3.543 5.763 571 HB2 GLU 75 HB2 GLU 75 18.546 -3.529 7.960 572 HB3 GLU 75 HB3 GLU 75 20.288 -3.536 8.236 573 HG2 GLU 75 HG2 GLU 75 18.791 -1.423 6.658 574 HG3 GLU 75 HG3 GLU 75 19.335 -1.241 8.326 575 H ASN 76 H ASN 76 17.862 -5.648 6.370 576 HA ASN 76 HA ASN 76 19.595 -7.827 7.245 577 HB2 ASN 76 HB2 ASN 76 16.598 -7.672 6.859 578 HB3 ASN 76 HB3 ASN 76 17.460 -9.072 7.494 579 HD21 ASN 76 HD21 ASN 76 15.513 -7.687 9.075 580 HD22 ASN 76 HD22 ASN 76 16.317 -6.932 10.365 581 H ALA 77 H ALA 77 17.061 -7.489 4.746 582 HA ALA 77 HA ALA 77 18.536 -9.469 3.123 583 HB1 ALA 77 HB1 ALA 77 16.431 -10.023 2.080 584 HB2 ALA 77 HB2 ALA 77 15.621 -8.692 2.906 585 HB3 ALA 77 HB3 ALA 77 16.211 -10.075 3.828 586 H GLY 78 H GLY 78 18.840 -9.097 0.910 587 HA2 GLY 78 HA2 GLY 78 19.008 -6.279 0.186 588 HA3 GLY 78 HA3 GLY 78 19.655 -7.638 -0.732 589 H LEU 79 H LEU 79 17.036 -5.466 -0.352 590 HA LEU 79 HA LEU 79 15.359 -6.986 -2.237 591 HB2 LEU 79 HB2 LEU 79 14.349 -6.155 -0.090 592 HB3 LEU 79 HB3 LEU 79 14.635 -4.511 -0.657 593 HG LEU 79 HG LEU 79 13.350 -5.301 -2.799 594 HD11 LEU 79 HD11 LEU 79 11.573 -6.986 -2.168 595 HD12 LEU 79 HD12 LEU 79 12.509 -7.336 -0.717 596 HD13 LEU 79 HD13 LEU 79 13.195 -7.660 -2.308 597 HD21 LEU 79 HD21 LEU 79 11.243 -4.583 -1.784 598 HD22 LEU 79 HD22 LEU 79 12.567 -3.611 -1.140 599 HD23 LEU 79 HD23 LEU 79 11.879 -4.916 -0.173 600 H THR 80 H THR 80 15.047 -6.304 -4.278 601 HA THR 80 HA THR 80 16.105 -3.641 -5.009 602 HB THR 80 HB THR 80 16.909 -4.531 -7.084 603 HG1 THR 80 HG1 THR 80 16.075 -7.108 -6.362 604 HG21 THR 80 HG21 THR 80 18.416 -4.880 -5.207 605 HG22 THR 80 HG22 THR 80 18.498 -6.283 -6.272 606 HG23 THR 80 HG23 THR 80 17.578 -6.370 -4.770 607 H ASP 81 H ASP 81 15.183 -2.849 -7.117 608 HA ASP 81 HA ASP 81 12.440 -2.484 -6.935 609 HB2 ASP 81 HB2 ASP 81 14.284 -2.247 -9.315 610 HB3 ASP 81 HB3 ASP 81 12.604 -1.715 -9.329 611 H VAL 82 H VAL 82 14.230 -4.984 -8.673 612 HA VAL 82 HA VAL 82 12.309 -5.966 -10.383 613 HB VAL 82 HB VAL 82 14.714 -6.801 -9.972 614 HG11 VAL 82 HG11 VAL 82 14.025 -7.374 -7.518 615 HG12 VAL 82 HG12 VAL 82 15.068 -8.496 -8.389 616 HG13 VAL 82 HG13 VAL 82 13.344 -8.836 -8.228 617 HG21 VAL 82 HG21 VAL 82 13.551 -7.867 -11.706 618 HG22 VAL 82 HG22 VAL 82 12.305 -8.484 -10.621 619 HG23 VAL 82 HG23 VAL 82 13.912 -9.211 -10.623 620 H HIS 83 H HIS 83 12.581 -6.485 -6.894 621 HA HIS 83 HA HIS 83 10.626 -8.475 -6.603 622 HB2 HIS 83 HB2 HIS 83 11.426 -6.241 -4.724 623 HB3 HIS 83 HB3 HIS 83 10.406 -7.606 -4.271 624 HD2 HIS 83 HD2 HIS 83 11.774 -10.117 -4.116 625 HE1 HIS 83 HE1 HIS 83 15.644 -8.498 -4.591 626 HE2 HIS 83 HE2 HIS 83 14.339 -10.591 -3.989 627 H PHE 84 H PHE 84 10.345 -4.938 -6.625 628 HA PHE 84 HA PHE 84 7.595 -4.761 -6.063 629 HB2 PHE 84 HB2 PHE 84 9.179 -2.841 -6.044 630 HB3 PHE 84 HB3 PHE 84 9.248 -2.916 -7.805 631 HD1 PHE 84 HD1 PHE 84 7.048 -2.263 -4.895 632 HD2 PHE 84 HD2 PHE 84 7.431 -2.120 -9.170 633 HE1 PHE 84 HE1 PHE 84 4.982 -0.899 -5.036 634 HE2 PHE 84 HE2 PHE 84 5.366 -0.757 -9.310 635 HZ PHE 84 HZ PHE 84 4.140 -0.145 -7.243 636 H ASP 85 H ASP 85 9.339 -5.013 -9.143 637 HA ASP 85 HA ASP 85 7.122 -4.797 -10.857 638 HB2 ASP 85 HB2 ASP 85 9.523 -4.686 -11.554 639 HB3 ASP 85 HB3 ASP 85 9.623 -6.431 -11.328 640 H ALA 86 H ALA 86 8.507 -7.565 -9.159 641 HA ALA 86 HA ALA 86 7.005 -9.571 -10.484 642 HB1 ALA 86 HB1 ALA 86 8.739 -9.384 -8.121 643 HB2 ALA 86 HB2 ALA 86 8.608 -10.663 -9.329 644 HB3 ALA 86 HB3 ALA 86 7.469 -10.600 -7.984 645 H ILE 87 H ILE 87 6.536 -8.201 -7.204 646 HA ILE 87 HA ILE 87 4.011 -9.405 -6.809 647 HB ILE 87 HB ILE 87 5.532 -8.403 -5.036 648 HG12 ILE 87 HG12 ILE 87 2.684 -7.384 -4.922 649 HG13 ILE 87 HG13 ILE 87 3.083 -9.093 -4.752 650 HG21 ILE 87 HG21 ILE 87 5.798 -6.219 -6.283 651 HG22 ILE 87 HG22 ILE 87 5.360 -6.042 -4.586 652 HG23 ILE 87 HG23 ILE 87 4.136 -5.837 -5.837 653 HD11 ILE 87 HD11 ILE 87 4.675 -7.236 -3.078 654 HD12 ILE 87 HD12 ILE 87 3.993 -8.812 -2.676 655 HD13 ILE 87 HD13 ILE 87 2.969 -7.377 -2.652 656 H ALA 88 H ALA 88 4.988 -6.394 -8.320 657 HA ALA 88 HA ALA 88 2.417 -5.185 -8.417 658 HB1 ALA 88 HB1 ALA 88 3.419 -3.767 -10.196 659 HB2 ALA 88 HB2 ALA 88 4.842 -4.809 -10.190 660 HB3 ALA 88 HB3 ALA 88 4.434 -3.865 -8.757 661 H GLU 89 H GLU 89 4.209 -7.279 -10.643 662 HA GLU 89 HA GLU 89 2.384 -7.189 -12.791 663 HB2 GLU 89 HB2 GLU 89 4.702 -8.097 -12.929 664 HB3 GLU 89 HB3 GLU 89 4.176 -9.493 -11.988 665 HG2 GLU 89 HG2 GLU 89 2.453 -9.970 -13.727 666 HG3 GLU 89 HG3 GLU 89 3.090 -8.636 -14.685 667 H ASN 90 H ASN 90 2.531 -9.177 -9.883 668 HA ASN 90 HA ASN 90 0.618 -11.108 -10.542 669 HB2 ASN 90 HB2 ASN 90 1.275 -9.863 -7.864 670 HB3 ASN 90 HB3 ASN 90 0.282 -11.304 -8.077 671 HD21 ASN 90 HD21 ASN 90 2.747 -11.412 -6.624 672 HD22 ASN 90 HD22 ASN 90 3.848 -12.349 -7.515 673 H LEU 91 H LEU 91 0.245 -7.831 -9.266 674 HA LEU 91 HA LEU 91 -2.512 -7.944 -8.694 675 HB2 LEU 91 HB2 LEU 91 -0.981 -6.115 -7.967 676 HB3 LEU 91 HB3 LEU 91 -0.923 -5.547 -9.634 677 HG LEU 91 HG LEU 91 -3.425 -5.330 -9.586 678 HD11 LEU 91 HD11 LEU 91 -4.329 -6.611 -7.909 679 HD12 LEU 91 HD12 LEU 91 -4.137 -5.118 -6.991 680 HD13 LEU 91 HD13 LEU 91 -2.934 -6.399 -6.851 681 HD21 LEU 91 HD21 LEU 91 -3.420 -3.247 -8.350 682 HD22 LEU 91 HD22 LEU 91 -1.842 -3.426 -9.116 683 HD23 LEU 91 HD23 LEU 91 -2.030 -3.765 -7.396 684 H VAL 92 H VAL 92 -0.748 -7.175 -11.665 685 HA VAL 92 HA VAL 92 -2.994 -6.366 -13.193 686 HB VAL 92 HB VAL 92 -0.323 -7.519 -14.023 687 HG11 VAL 92 HG11 VAL 92 -1.485 -7.875 -15.974 688 HG12 VAL 92 HG12 VAL 92 -1.164 -6.155 -16.186 689 HG13 VAL 92 HG13 VAL 92 -2.728 -6.692 -15.573 690 HG21 VAL 92 HG21 VAL 92 -1.439 -4.697 -13.946 691 HG22 VAL 92 HG22 VAL 92 0.142 -5.142 -14.588 692 HG23 VAL 92 HG23 VAL 92 -0.205 -5.352 -12.871 693 H LEU 93 H LEU 93 -1.374 -9.504 -12.802 694 HA LEU 93 HA LEU 93 -2.948 -10.931 -14.665 695 HB2 LEU 93 HB2 LEU 93 -1.566 -11.962 -12.175 696 HB3 LEU 93 HB3 LEU 93 -2.118 -12.940 -13.533 697 HG LEU 93 HG LEU 93 -0.019 -10.754 -13.654 698 HD11 LEU 93 HD11 LEU 93 1.200 -13.004 -14.513 699 HD12 LEU 93 HD12 LEU 93 0.046 -13.714 -13.385 700 HD13 LEU 93 HD13 LEU 93 1.201 -12.508 -12.820 701 HD21 LEU 93 HD21 LEU 93 0.228 -11.978 -16.002 702 HD22 LEU 93 HD22 LEU 93 -0.938 -10.674 -15.785 703 HD23 LEU 93 HD23 LEU 93 -1.474 -12.353 -15.729 704 H THR 94 H THR 94 -3.414 -10.152 -11.263 705 HA THR 94 HA THR 94 -5.498 -11.914 -10.657 706 HB THR 94 HB THR 94 -5.167 -9.080 -9.649 707 HG1 THR 94 HG1 THR 94 -4.019 -11.547 -8.872 708 HG21 THR 94 HG21 THR 94 -6.083 -10.779 -7.629 709 HG22 THR 94 HG22 THR 94 -7.001 -11.260 -9.057 710 HG23 THR 94 HG23 THR 94 -7.042 -9.585 -8.505 711 H LEU 95 H LEU 95 -5.581 -8.703 -12.162 712 HA LEU 95 HA LEU 95 -8.390 -8.426 -12.245 713 HB2 LEU 95 HB2 LEU 95 -6.338 -7.301 -14.168 714 HB3 LEU 95 HB3 LEU 95 -7.984 -6.713 -13.939 715 HG LEU 95 HG LEU 95 -5.787 -6.736 -11.846 716 HD11 LEU 95 HD11 LEU 95 -5.568 -4.988 -13.602 717 HD12 LEU 95 HD12 LEU 95 -5.938 -4.295 -12.024 718 HD13 LEU 95 HD13 LEU 95 -7.207 -4.444 -13.240 719 HD21 LEU 95 HD21 LEU 95 -8.737 -6.214 -11.745 720 HD22 LEU 95 HD22 LEU 95 -7.677 -5.235 -10.730 721 HD23 LEU 95 HD23 LEU 95 -7.697 -6.990 -10.549 722 H GLN 96 H GLN 96 -6.091 -9.978 -14.427 723 HA GLN 96 HA GLN 96 -7.814 -10.404 -16.611 724 HB2 GLN 96 HB2 GLN 96 -5.474 -12.051 -15.622 725 HB3 GLN 96 HB3 GLN 96 -6.260 -12.266 -17.187 726 HG2 GLN 96 HG2 GLN 96 -5.715 -9.954 -17.803 727 HG3 GLN 96 HG3 GLN 96 -4.971 -9.696 -16.226 728 HE21 GLN 96 HE21 GLN 96 -3.432 -9.363 -18.590 729 HE22 GLN 96 HE22 GLN 96 -2.281 -10.608 -18.672 730 H GLU 97 H GLU 97 -7.311 -12.215 -13.629 731 HA GLU 97 HA GLU 97 -8.796 -14.519 -14.314 732 HB2 GLU 97 HB2 GLU 97 -8.280 -13.233 -11.623 733 HB3 GLU 97 HB3 GLU 97 -8.980 -14.838 -11.844 734 HG2 GLU 97 HG2 GLU 97 -6.955 -15.523 -13.106 735 HG3 GLU 97 HG3 GLU 97 -6.251 -13.935 -12.811 736 H LEU 98 H LEU 98 -9.712 -11.354 -13.130 737 HA LEU 98 HA LEU 98 -12.451 -12.085 -12.568 738 HB2 LEU 98 HB2 LEU 98 -11.164 -9.357 -12.841 739 HB3 LEU 98 HB3 LEU 98 -12.768 -9.680 -12.184 740 HG LEU 98 HG LEU 98 -10.162 -10.741 -11.052 741 HD11 LEU 98 HD11 LEU 98 -10.064 -8.671 -10.130 742 HD12 LEU 98 HD12 LEU 98 -11.413 -9.203 -9.127 743 HD13 LEU 98 HD13 LEU 98 -11.720 -8.290 -10.605 744 HD21 LEU 98 HD21 LEU 98 -13.062 -11.199 -10.459 745 HD22 LEU 98 HD22 LEU 98 -11.923 -11.173 -9.111 746 HD23 LEU 98 HD23 LEU 98 -11.719 -12.339 -10.416 747 H ASN 99 H ASN 99 -10.768 -11.715 -15.384 748 HA ASN 99 HA ASN 99 -11.386 -11.431 -17.578 749 HB2 ASN 99 HB2 ASN 99 -13.253 -12.989 -16.730 750 HB3 ASN 99 HB3 ASN 99 -14.258 -11.542 -16.677 751 HD21 ASN 99 HD21 ASN 99 -15.384 -11.161 -18.584 752 HD22 ASN 99 HD22 ASN 99 -14.893 -11.675 -20.125 753 H VAL 100 H VAL 100 -10.721 -9.145 -16.324 754 HA VAL 100 HA VAL 100 -12.818 -7.172 -16.935 755 HB VAL 100 HB VAL 100 -10.173 -6.817 -15.502 756 HG11 VAL 100 HG11 VAL 100 -12.586 -4.994 -15.726 757 HG12 VAL 100 HG12 VAL 100 -11.073 -4.773 -16.603 758 HG13 VAL 100 HG13 VAL 100 -11.100 -4.648 -14.844 759 HG21 VAL 100 HG21 VAL 100 -12.229 -8.238 -14.526 760 HG22 VAL 100 HG22 VAL 100 -12.822 -6.623 -14.139 761 HG23 VAL 100 HG23 VAL 100 -11.270 -7.168 -13.502 762 H SER 101 H SER 101 -12.575 -5.633 -18.496 763 HA SER 101 HA SER 101 -11.035 -6.124 -20.746 764 HB2 SER 101 HB2 SER 101 -12.969 -4.583 -20.690 765 HB3 SER 101 HB3 SER 101 -12.008 -3.428 -19.773 766 HG SER 101 HG SER 101 -11.930 -2.950 -21.985 767 H GLN 102 H GLN 102 -9.046 -5.543 -21.458 768 HA GLN 102 HA GLN 102 -6.976 -5.096 -19.625 769 HB2 GLN 102 HB2 GLN 102 -6.732 -6.082 -21.917 770 HB3 GLN 102 HB3 GLN 102 -6.918 -4.457 -22.580 771 HG2 GLN 102 HG2 GLN 102 -4.560 -4.848 -22.399 772 HG3 GLN 102 HG3 GLN 102 -4.987 -3.748 -21.089 773 HE21 GLN 102 HE21 GLN 102 -3.631 -4.359 -19.377 774 HE22 GLN 102 HE22 GLN 102 -3.466 -5.949 -18.808 775 H ASP 103 H ASP 103 -8.853 -2.833 -21.579 776 HA ASP 103 HA ASP 103 -7.285 -0.548 -21.320 777 HB2 ASP 103 HB2 ASP 103 -10.293 -0.833 -21.401 778 HB3 ASP 103 HB3 ASP 103 -9.446 0.707 -21.544 779 H LEU 104 H LEU 104 -9.720 -1.864 -19.091 780 HA LEU 104 HA LEU 104 -9.579 0.274 -17.221 781 HB2 LEU 104 HB2 LEU 104 -10.372 -2.613 -16.774 782 HB3 LEU 104 HB3 LEU 104 -10.713 -1.268 -15.686 783 HG LEU 104 HG LEU 104 -11.703 -1.530 -18.542 784 HD11 LEU 104 HD11 LEU 104 -13.909 -1.361 -16.972 785 HD12 LEU 104 HD12 LEU 104 -12.817 -2.207 -15.875 786 HD13 LEU 104 HD13 LEU 104 -13.185 -2.895 -17.457 787 HD21 LEU 104 HD21 LEU 104 -11.744 0.671 -16.514 788 HD22 LEU 104 HD22 LEU 104 -13.169 0.456 -17.531 789 HD23 LEU 104 HD23 LEU 104 -11.598 0.769 -18.270 790 H ILE 105 H ILE 105 -7.834 -2.765 -17.592 791 HA ILE 105 HA ILE 105 -6.473 -2.756 -15.122 792 HB ILE 105 HB ILE 105 -5.582 -3.883 -17.788 793 HG12 ILE 105 HG12 ILE 105 -7.028 -5.202 -15.468 794 HG13 ILE 105 HG13 ILE 105 -7.808 -4.686 -16.963 795 HG21 ILE 105 HG21 ILE 105 -3.682 -4.379 -16.681 796 HG22 ILE 105 HG22 ILE 105 -4.641 -5.435 -15.646 797 HG23 ILE 105 HG23 ILE 105 -4.341 -3.765 -15.166 798 HD11 ILE 105 HD11 ILE 105 -5.559 -6.189 -17.758 799 HD12 ILE 105 HD12 ILE 105 -7.253 -6.670 -17.869 800 HD13 ILE 105 HD13 ILE 105 -6.304 -7.101 -16.446 801 H ASP 106 H ASP 106 -5.732 -1.274 -18.244 802 HA ASP 106 HA ASP 106 -3.103 -0.458 -17.732 803 HB2 ASP 106 HB2 ASP 106 -5.265 0.820 -19.416 804 HB3 ASP 106 HB3 ASP 106 -3.579 1.336 -19.426 805 H GLU 107 H GLU 107 -6.193 1.082 -16.939 806 HA GLU 107 HA GLU 107 -5.162 3.533 -16.000 807 HB2 GLU 107 HB2 GLU 107 -7.571 3.080 -16.470 808 HB3 GLU 107 HB3 GLU 107 -7.631 2.083 -15.016 809 HG2 GLU 107 HG2 GLU 107 -8.419 4.284 -14.418 810 HG3 GLU 107 HG3 GLU 107 -6.817 4.085 -13.712 811 H VAL 108 H VAL 108 -5.651 0.411 -14.433 812 HA VAL 108 HA VAL 108 -5.092 1.240 -11.783 813 HB VAL 108 HB VAL 108 -4.808 -1.452 -13.132 814 HG11 VAL 108 HG11 VAL 108 -3.514 -1.851 -11.279 815 HG12 VAL 108 HG12 VAL 108 -5.092 -2.028 -10.514 816 HG13 VAL 108 HG13 VAL 108 -4.210 -0.507 -10.374 817 HG21 VAL 108 HG21 VAL 108 -6.953 -1.925 -12.200 818 HG22 VAL 108 HG22 VAL 108 -7.098 -0.315 -12.906 819 HG23 VAL 108 HG23 VAL 108 -6.898 -0.499 -11.164 820 H VAL 109 H VAL 109 -3.053 0.076 -14.423 821 HA VAL 109 HA VAL 109 -0.656 -0.241 -12.998 822 HB VAL 109 HB VAL 109 -1.166 0.496 -15.884 823 HG11 VAL 109 HG11 VAL 109 1.356 0.107 -14.326 824 HG12 VAL 109 HG12 VAL 109 1.037 1.170 -15.698 825 HG13 VAL 109 HG13 VAL 109 1.284 -0.557 -15.958 826 HG21 VAL 109 HG21 VAL 109 -0.137 -2.120 -14.807 827 HG22 VAL 109 HG22 VAL 109 -0.986 -1.803 -16.320 828 HG23 VAL 109 HG23 VAL 109 -1.867 -1.778 -14.792 829 H THR 110 H THR 110 -2.065 2.602 -14.574 830 HA THR 110 HA THR 110 0.122 4.339 -14.301 831 HB THR 110 HB THR 110 -2.816 5.057 -14.201 832 HG1 THR 110 HG1 THR 110 -1.595 3.799 -16.056 833 HG21 THR 110 HG21 THR 110 -0.262 6.579 -14.605 834 HG22 THR 110 HG22 THR 110 -1.684 7.019 -13.659 835 HG23 THR 110 HG23 THR 110 -1.729 7.121 -15.419 836 H ILE 111 H ILE 111 -2.541 3.606 -12.069 837 HA ILE 111 HA ILE 111 -2.015 5.561 -10.139 838 HB ILE 111 HB ILE 111 -3.085 2.756 -9.749 839 HG12 ILE 111 HG12 ILE 111 -4.542 5.398 -10.072 840 HG13 ILE 111 HG13 ILE 111 -4.314 4.236 -11.379 841 HG21 ILE 111 HG21 ILE 111 -4.236 4.264 -7.820 842 HG22 ILE 111 HG22 ILE 111 -2.681 5.085 -7.945 843 HG23 ILE 111 HG23 ILE 111 -2.742 3.364 -7.564 844 HD11 ILE 111 HD11 ILE 111 -5.427 2.505 -9.898 845 HD12 ILE 111 HD12 ILE 111 -6.486 3.809 -10.436 846 HD13 ILE 111 HD13 ILE 111 -5.839 3.820 -8.796 847 H VAL 112 H VAL 112 -0.794 2.216 -10.341 848 HA VAL 112 HA VAL 112 0.974 2.612 -8.083 849 HB VAL 112 HB VAL 112 1.723 0.323 -8.555 850 HG11 VAL 112 HG11 VAL 112 -1.281 0.707 -8.767 851 HG12 VAL 112 HG12 VAL 112 -0.347 0.630 -7.272 852 HG13 VAL 112 HG13 VAL 112 -0.482 -0.796 -8.301 853 HG21 VAL 112 HG21 VAL 112 0.573 -0.890 -10.457 854 HG22 VAL 112 HG22 VAL 112 1.735 0.334 -10.972 855 HG23 VAL 112 HG23 VAL 112 0.006 0.680 -11.026 856 H GLY 113 H GLY 113 1.068 3.144 -11.450 857 HA2 GLY 113 HA2 GLY 113 3.727 2.721 -12.140 858 HA3 GLY 113 HA3 GLY 113 2.701 3.968 -12.842 859 H SER 114 H SER 114 2.329 5.180 -10.108 860 HA SER 114 HA SER 114 3.986 7.310 -10.181 861 HB2 SER 114 HB2 SER 114 3.088 5.839 -7.695 862 HB3 SER 114 HB3 SER 114 3.767 7.464 -7.700 863 HG SER 114 HG SER 114 1.661 6.903 -9.448 864 H VAL 115 H VAL 115 6.106 7.405 -10.474 865 HA VAL 115 HA VAL 115 7.932 5.342 -9.804 866 HB VAL 115 HB VAL 115 8.373 8.250 -10.509 867 HG11 VAL 115 HG11 VAL 115 10.379 7.710 -9.453 868 HG12 VAL 115 HG12 VAL 115 10.712 7.185 -11.104 869 HG13 VAL 115 HG13 VAL 115 10.260 6.002 -9.878 870 HG21 VAL 115 HG21 VAL 115 7.347 6.863 -12.276 871 HG22 VAL 115 HG22 VAL 115 8.636 5.673 -12.095 872 HG23 VAL 115 HG23 VAL 115 9.005 7.287 -12.700 873 H GLN 116 H GLN 116 6.938 8.299 -8.163 874 HA GLN 116 HA GLN 116 8.915 8.575 -6.258 875 HB2 GLN 116 HB2 GLN 116 6.961 10.101 -6.577 876 HB3 GLN 116 HB3 GLN 116 5.954 8.916 -5.745 877 HG2 GLN 116 HG2 GLN 116 7.464 9.066 -3.770 878 HG3 GLN 116 HG3 GLN 116 8.385 10.319 -4.598 879 HE21 GLN 116 HE21 GLN 116 6.229 10.117 -2.195 880 HE22 GLN 116 HE22 GLN 116 5.311 11.519 -2.466 881 H HIS 117 H HIS 117 6.115 6.383 -6.189 882 HA HIS 117 HA HIS 117 6.529 5.403 -3.573 883 HB2 HIS 117 HB2 HIS 117 4.452 5.061 -4.942 884 HB3 HIS 117 HB3 HIS 117 5.342 3.879 -5.901 885 HD1 HIS 117 HD1 HIS 117 5.760 4.253 -2.170 886 HD2 HIS 117 HD2 HIS 117 4.005 1.610 -4.874 887 HE1 HIS 117 HE1 HIS 117 5.074 2.221 -0.832 888 H ARG 118 H ARG 118 7.700 4.295 -6.730 889 HA ARG 118 HA ARG 118 9.009 1.964 -5.877 890 HB2 ARG 118 HB2 ARG 118 8.605 2.555 -8.251 891 HB3 ARG 118 HB3 ARG 118 9.818 3.828 -8.122 892 HG2 ARG 118 HG2 ARG 118 11.513 2.125 -7.493 893 HG3 ARG 118 HG3 ARG 118 10.298 0.863 -7.703 894 HD2 ARG 118 HD2 ARG 118 9.999 1.598 -10.068 895 HD3 ARG 118 HD3 ARG 118 11.300 2.763 -9.842 896 HE ARG 118 HE ARG 118 12.080 0.075 -9.158 897 HH11 ARG 118 HH11 ARG 118 11.615 2.367 -11.708 898 HH12 ARG 118 HH12 ARG 118 12.762 1.624 -12.772 899 HH21 ARG 118 HH21 ARG 118 13.586 -0.904 -10.546 900 HH22 ARG 118 HH22 ARG 118 13.878 -0.229 -12.114 901 H ASN 119 H ASN 119 10.098 5.330 -6.021 902 HA ASN 119 HA ASN 119 12.802 4.925 -5.393 903 HB2 ASN 119 HB2 ASN 119 10.985 7.255 -4.741 904 HB3 ASN 119 HB3 ASN 119 12.742 7.282 -4.593 905 HD21 ASN 119 HD21 ASN 119 11.363 9.040 -6.397 906 HD22 ASN 119 HD22 ASN 119 11.768 8.591 -7.984 907 H ASP 120 H ASP 120 9.951 5.178 -3.326 908 HA ASP 120 HA ASP 120 11.241 5.438 -0.848 909 HB2 ASP 120 HB2 ASP 120 8.617 4.115 -1.559 910 HB3 ASP 120 HB3 ASP 120 9.149 4.431 0.091 911 H VAL 121 H VAL 121 10.460 2.569 -2.771 912 HA VAL 121 HA VAL 121 11.136 0.632 -0.832 913 HB VAL 121 HB VAL 121 11.206 0.537 -3.854 914 HG11 VAL 121 HG11 VAL 121 11.714 -1.576 -1.758 915 HG12 VAL 121 HG12 VAL 121 12.672 -1.200 -3.190 916 HG13 VAL 121 HG13 VAL 121 11.110 -1.999 -3.360 917 HG21 VAL 121 HG21 VAL 121 9.005 -0.008 -3.721 918 HG22 VAL 121 HG22 VAL 121 9.079 0.679 -2.098 919 HG23 VAL 121 HG23 VAL 121 9.263 -1.060 -2.330 920 H LEU 122 H LEU 122 13.068 2.228 -3.345 921 HA LEU 122 HA LEU 122 15.468 0.801 -2.840 922 HB2 LEU 122 HB2 LEU 122 15.046 3.540 -4.060 923 HB3 LEU 122 HB3 LEU 122 16.552 2.623 -4.117 924 HG LEU 122 HG LEU 122 13.893 1.678 -5.235 925 HD11 LEU 122 HD11 LEU 122 14.815 2.126 -7.411 926 HD12 LEU 122 HD12 LEU 122 16.396 2.505 -6.728 927 HD13 LEU 122 HD13 LEU 122 15.035 3.592 -6.455 928 HD21 LEU 122 HD21 LEU 122 14.966 -0.322 -4.889 929 HD22 LEU 122 HD22 LEU 122 16.559 0.431 -4.809 930 HD23 LEU 122 HD23 LEU 122 15.805 0.129 -6.374 931 H ASN 123 H ASN 123 14.011 3.636 -1.394 932 HA ASN 123 HA ASN 123 14.584 4.898 0.436 933 HB2 ASN 123 HB2 ASN 123 16.386 2.544 1.056 934 HB3 ASN 123 HB3 ASN 123 15.950 3.828 2.177 935 HD21 ASN 123 HD21 ASN 123 15.260 0.745 1.880 936 HD22 ASN 123 HD22 ASN 123 13.589 0.726 2.177 937 H ARG 124 H ARG 124 15.865 5.573 -1.924 938 HA ARG 124 HA ARG 124 18.702 5.786 -1.592 939 HB2 ARG 124 HB2 ARG 124 16.789 7.269 -3.410 940 HB3 ARG 124 HB3 ARG 124 18.547 7.382 -3.500 941 HG2 ARG 124 HG2 ARG 124 18.656 4.915 -3.837 942 HG3 ARG 124 HG3 ARG 124 16.894 4.867 -3.851 943 HD2 ARG 124 HD2 ARG 124 17.621 4.945 -6.146 944 HD3 ARG 124 HD3 ARG 124 16.946 6.524 -5.753 945 HE ARG 124 HE ARG 124 19.688 6.649 -5.227 946 HH11 ARG 124 HH11 ARG 124 17.537 6.125 -7.886 947 HH12 ARG 124 HH12 ARG 124 18.612 6.796 -9.067 948 HH21 ARG 124 HH21 ARG 124 21.104 7.530 -6.771 949 HH22 ARG 124 HH22 ARG 124 20.631 7.592 -8.435 950 HHA HEB 125 HHA HEB 125 4.832 -2.253 7.088 951 HHB HEB 125 HHB HEB 125 2.456 1.417 2.509 952 HHC HEB 125 HHC HEB 125 5.490 -2.075 -1.833 953 HHD HEB 125 HHD HEB 125 7.818 -5.740 2.724 954 HMA1 HEB 125 HMA1 HEB 125 2.525 2.614 5.179 955 HMA2 HEB 125 HMA2 HEB 125 1.442 1.601 6.133 956 HMA3 HEB 125 HMA3 HEB 125 1.241 1.700 4.388 957 HAA1 HEB 125 HAA1 HEB 125 2.931 0.939 7.680 958 HAA2 HEB 125 HAA2 HEB 125 4.122 -0.311 7.982 959 HBA1 HEB 125 HBA1 HEB 125 2.478 -2.015 8.069 960 HBA2 HEB 125 HBA2 HEB 125 1.256 -0.982 7.329 961 HMB1 HEB 125 HMB1 HEB 125 1.359 1.598 0.069 962 HMB2 HEB 125 HMB2 HEB 125 2.457 2.145 -1.197 963 HMB3 HEB 125 HMB3 HEB 125 2.711 2.656 0.472 964 HAB2 HEB 125 HAB2 HEB 125 4.343 -0.617 -2.870 965 HBB1 HEB 125 HBB1 HEB 125 1.693 -0.241 -2.057 966 HBB2 HEB 125 HBB2 HEB 125 2.268 -0.585 -3.688 967 HBB3 HEB 125 HBB3 HEB 125 2.036 1.083 -3.172 968 HMC1 HEB 125 HMC1 HEB 125 6.164 -4.337 -2.704 969 HMC2 HEB 125 HMC2 HEB 125 7.731 -5.077 -2.384 970 HMC3 HEB 125 HMC3 HEB 125 7.603 -3.328 -2.572 971 HAC HEB 125 HAC HEB 125 9.189 -5.942 0.524 972 HBC1 HEB 125 HBC1 HEB 125 6.809 -7.088 -1.084 973 HBC2 HEB 125 HBC2 HEB 125 8.441 -7.912 -0.752 974 HMD1 HEB 125 HMD1 HEB 125 7.454 -6.743 6.305 975 HMD2 HEB 125 HMD2 HEB 125 8.867 -5.872 5.715 976 HMD3 HEB 125 HMD3 HEB 125 7.882 -6.823 4.609 977 HAD1 HEB 125 HAD1 HEB 125 6.751 -5.367 7.864 978 HAD2 HEB 125 HAD2 HEB 125 5.386 -4.276 7.992 979 HBD1 HEB 125 HBD1 HEB 125 7.115 -2.377 7.860 980 HBD2 HEB 125 HBD2 HEB 125 8.322 -3.625 8.169 Start of MODEL 7 1 H1 ALA 2 H1 ALA 2 -19.590 7.463 0.118 2 H2 ALA 2 H2 ALA 2 -21.002 7.499 -0.826 3 H3 ALA 2 H3 ALA 2 -19.480 7.664 -1.562 4 HA ALA 2 HA ALA 2 -20.798 5.261 -0.519 5 HB1 ALA 2 HB1 ALA 2 -20.901 5.339 -2.845 6 HB2 ALA 2 HB2 ALA 2 -19.411 4.428 -2.602 7 HB3 ALA 2 HB3 ALA 2 -19.340 6.147 -2.988 8 H SER 3 H SER 3 -19.294 3.307 -0.514 9 HA SER 3 HA SER 3 -16.726 4.032 0.766 10 HB2 SER 3 HB2 SER 3 -18.404 3.137 2.370 11 HB3 SER 3 HB3 SER 3 -18.490 1.660 1.416 12 HG SER 3 HG SER 3 -16.365 1.248 1.893 13 H LEU 4 H LEU 4 -14.926 2.828 0.242 14 HA LEU 4 HA LEU 4 -14.739 1.717 -2.313 15 HB2 LEU 4 HB2 LEU 4 -12.803 2.533 -1.009 16 HB3 LEU 4 HB3 LEU 4 -12.971 1.158 0.081 17 HG LEU 4 HG LEU 4 -12.664 -0.372 -1.879 18 HD11 LEU 4 HD11 LEU 4 -13.236 0.781 -3.808 19 HD12 LEU 4 HD12 LEU 4 -11.483 0.957 -3.850 20 HD13 LEU 4 HD13 LEU 4 -12.487 2.280 -3.259 21 HD21 LEU 4 HD21 LEU 4 -10.564 1.634 -1.082 22 HD22 LEU 4 HD22 LEU 4 -10.191 0.380 -2.265 23 HD23 LEU 4 HD23 LEU 4 -10.696 -0.067 -0.635 24 H TYR 5 H TYR 5 -15.345 0.184 0.812 25 HA TYR 5 HA TYR 5 -15.086 -2.499 -0.007 26 HB2 TYR 5 HB2 TYR 5 -16.867 -1.322 2.141 27 HB3 TYR 5 HB3 TYR 5 -16.437 -3.025 1.985 28 HD1 TYR 5 HD1 TYR 5 -14.060 -3.749 2.260 29 HD2 TYR 5 HD2 TYR 5 -15.325 0.278 3.049 30 HE1 TYR 5 HE1 TYR 5 -11.961 -3.336 3.515 31 HE2 TYR 5 HE2 TYR 5 -13.227 0.692 4.305 32 HH TYR 5 HH TYR 5 -11.232 -1.717 5.392 33 H GLU 6 H GLU 6 -17.846 -0.278 -0.045 34 HA GLU 6 HA GLU 6 -19.796 -2.168 -0.847 35 HB2 GLU 6 HB2 GLU 6 -20.311 0.080 0.092 36 HB3 GLU 6 HB3 GLU 6 -19.746 0.804 -1.414 37 HG2 GLU 6 HG2 GLU 6 -21.441 -0.537 -2.655 38 HG3 GLU 6 HG3 GLU 6 -22.045 -1.150 -1.115 39 H LYS 7 H LYS 7 -17.573 -0.101 -2.651 40 HA LYS 7 HA LYS 7 -18.627 -0.487 -5.227 41 HB2 LYS 7 HB2 LYS 7 -15.770 -0.013 -4.345 42 HB3 LYS 7 HB3 LYS 7 -16.337 0.101 -6.011 43 HG2 LYS 7 HG2 LYS 7 -17.990 1.828 -5.289 44 HG3 LYS 7 HG3 LYS 7 -17.294 1.770 -3.669 45 HD2 LYS 7 HD2 LYS 7 -15.074 2.373 -4.648 46 HD3 LYS 7 HD3 LYS 7 -15.856 2.554 -6.219 47 HE2 LYS 7 HE2 LYS 7 -16.584 4.615 -5.683 48 HE3 LYS 7 HE3 LYS 7 -17.328 4.012 -4.203 49 HZ1 LYS 7 HZ1 LYS 7 -14.554 4.956 -4.605 50 HZ2 LYS 7 HZ2 LYS 7 -14.997 4.018 -3.260 51 HZ3 LYS 7 HZ3 LYS 7 -15.715 5.537 -3.512 52 H LEU 8 H LEU 8 -16.478 -2.456 -3.265 53 HA LEU 8 HA LEU 8 -15.987 -4.331 -5.439 54 HB2 LEU 8 HB2 LEU 8 -15.193 -4.490 -2.523 55 HB3 LEU 8 HB3 LEU 8 -14.580 -5.503 -3.830 56 HG LEU 8 HG LEU 8 -14.235 -2.500 -3.575 57 HD11 LEU 8 HD11 LEU 8 -12.490 -4.891 -3.083 58 HD12 LEU 8 HD12 LEU 8 -12.643 -3.409 -2.139 59 HD13 LEU 8 HD13 LEU 8 -11.752 -3.398 -3.662 60 HD21 LEU 8 HD21 LEU 8 -12.601 -3.107 -5.569 61 HD22 LEU 8 HD22 LEU 8 -14.309 -2.801 -5.883 62 HD23 LEU 8 HD23 LEU 8 -13.713 -4.458 -5.788 63 H GLY 9 H GLY 9 -18.611 -3.768 -3.670 64 HA2 GLY 9 HA2 GLY 9 -20.518 -5.184 -3.681 65 HA3 GLY 9 HA3 GLY 9 -19.449 -6.581 -3.766 66 H GLY 10 H GLY 10 -18.517 -4.179 -1.520 67 HA2 GLY 10 HA2 GLY 10 -19.093 -3.938 0.779 68 HA3 GLY 10 HA3 GLY 10 -19.905 -5.499 0.711 69 H ALA 11 H ALA 11 -18.232 -5.054 2.784 70 HA ALA 11 HA ALA 11 -15.524 -5.747 2.398 71 HB1 ALA 11 HB1 ALA 11 -17.401 -5.687 4.712 72 HB2 ALA 11 HB2 ALA 11 -15.850 -4.875 4.497 73 HB3 ALA 11 HB3 ALA 11 -15.898 -6.592 4.894 74 H ALA 12 H ALA 12 -18.426 -7.702 2.837 75 HA ALA 12 HA ALA 12 -17.168 -10.176 3.334 76 HB1 ALA 12 HB1 ALA 12 -19.314 -10.776 3.553 77 HB2 ALA 12 HB2 ALA 12 -19.539 -10.607 1.812 78 HB3 ALA 12 HB3 ALA 12 -19.820 -9.228 2.875 79 H ALA 13 H ALA 13 -18.168 -8.612 0.305 80 HA ALA 13 HA ALA 13 -17.375 -10.756 -1.392 81 HB1 ALA 13 HB1 ALA 13 -18.070 -7.871 -1.787 82 HB2 ALA 13 HB2 ALA 13 -18.851 -9.310 -2.442 83 HB3 ALA 13 HB3 ALA 13 -17.313 -8.763 -3.107 84 H VAL 14 H VAL 14 -15.725 -8.001 -0.006 85 HA VAL 14 HA VAL 14 -13.447 -7.958 -1.663 86 HB VAL 14 HB VAL 14 -13.795 -7.177 1.238 87 HG11 VAL 14 HG11 VAL 14 -11.721 -5.690 0.396 88 HG12 VAL 14 HG12 VAL 14 -11.455 -7.115 -0.609 89 HG13 VAL 14 HG13 VAL 14 -11.496 -7.270 1.147 90 HG21 VAL 14 HG21 VAL 14 -14.419 -5.102 0.458 91 HG22 VAL 14 HG22 VAL 14 -14.984 -6.070 -0.903 92 HG23 VAL 14 HG23 VAL 14 -13.432 -5.237 -0.997 93 H ASP 15 H ASP 15 -14.205 -9.824 1.246 94 HA ASP 15 HA ASP 15 -11.686 -10.898 1.771 95 HB2 ASP 15 HB2 ASP 15 -14.434 -12.114 2.116 96 HB3 ASP 15 HB3 ASP 15 -12.957 -12.821 2.769 97 H LEU 16 H LEU 16 -14.189 -11.978 -0.500 98 HA LEU 16 HA LEU 16 -12.850 -14.353 -1.308 99 HB2 LEU 16 HB2 LEU 16 -14.971 -12.660 -2.638 100 HB3 LEU 16 HB3 LEU 16 -14.369 -14.169 -3.324 101 HG LEU 16 HG LEU 16 -14.949 -15.280 -1.115 102 HD11 LEU 16 HD11 LEU 16 -15.162 -13.525 0.432 103 HD12 LEU 16 HD12 LEU 16 -16.839 -13.940 0.085 104 HD13 LEU 16 HD13 LEU 16 -16.105 -12.533 -0.678 105 HD21 LEU 16 HD21 LEU 16 -17.405 -15.335 -1.640 106 HD22 LEU 16 HD22 LEU 16 -16.384 -15.572 -3.058 107 HD23 LEU 16 HD23 LEU 16 -17.148 -14.008 -2.775 108 H ALA 17 H ALA 17 -12.876 -11.033 -2.544 109 HA ALA 17 HA ALA 17 -11.285 -11.561 -4.845 110 HB1 ALA 17 HB1 ALA 17 -10.945 -8.872 -3.862 111 HB2 ALA 17 HB2 ALA 17 -12.639 -9.348 -3.752 112 HB3 ALA 17 HB3 ALA 17 -11.798 -9.429 -5.300 113 H VAL 18 H VAL 18 -10.535 -10.436 -1.568 114 HA VAL 18 HA VAL 18 -7.779 -9.973 -1.986 115 HB VAL 18 HB VAL 18 -9.332 -10.656 0.517 116 HG11 VAL 18 HG11 VAL 18 -7.248 -11.130 1.325 117 HG12 VAL 18 HG12 VAL 18 -7.091 -9.374 1.371 118 HG13 VAL 18 HG13 VAL 18 -6.435 -10.282 0.009 119 HG21 VAL 18 HG21 VAL 18 -8.089 -8.005 -0.150 120 HG22 VAL 18 HG22 VAL 18 -9.501 -8.353 0.848 121 HG23 VAL 18 HG23 VAL 18 -9.619 -8.448 -0.909 122 H GLU 19 H GLU 19 -9.586 -12.845 -0.973 123 HA GLU 19 HA GLU 19 -7.425 -14.473 -0.254 124 HB2 GLU 19 HB2 GLU 19 -9.821 -15.023 0.139 125 HB3 GLU 19 HB3 GLU 19 -9.996 -15.352 -1.586 126 HG2 GLU 19 HG2 GLU 19 -8.194 -17.064 -1.406 127 HG3 GLU 19 HG3 GLU 19 -8.134 -16.780 0.332 128 H LYS 20 H LYS 20 -8.887 -13.866 -3.429 129 HA LYS 20 HA LYS 20 -7.427 -15.808 -4.866 130 HB2 LYS 20 HB2 LYS 20 -8.600 -13.167 -5.762 131 HB3 LYS 20 HB3 LYS 20 -7.954 -14.389 -6.856 132 HG2 LYS 20 HG2 LYS 20 -9.567 -16.041 -5.900 133 HG3 LYS 20 HG3 LYS 20 -10.263 -14.747 -4.926 134 HD2 LYS 20 HD2 LYS 20 -10.749 -13.481 -7.021 135 HD3 LYS 20 HD3 LYS 20 -10.155 -14.856 -7.953 136 HE2 LYS 20 HE2 LYS 20 -12.646 -14.618 -6.305 137 HE3 LYS 20 HE3 LYS 20 -12.428 -15.331 -7.903 138 HZ1 LYS 20 HZ1 LYS 20 -11.790 -16.472 -5.263 139 HZ2 LYS 20 HZ2 LYS 20 -10.967 -17.014 -6.647 140 HZ3 LYS 20 HZ3 LYS 20 -12.655 -17.165 -6.547 141 H PHE 21 H PHE 21 -6.755 -12.385 -4.183 142 HA PHE 21 HA PHE 21 -4.321 -12.289 -5.657 143 HB2 PHE 21 HB2 PHE 21 -5.621 -10.269 -5.010 144 HB3 PHE 21 HB3 PHE 21 -5.180 -10.557 -3.326 145 HD1 PHE 21 HD1 PHE 21 -3.742 -9.955 -6.719 146 HD2 PHE 21 HD2 PHE 21 -3.087 -9.849 -2.475 147 HE1 PHE 21 HE1 PHE 21 -1.577 -8.799 -7.079 148 HE2 PHE 21 HE2 PHE 21 -0.923 -8.694 -2.841 149 HZ PHE 21 HZ PHE 21 -0.170 -8.168 -5.141 150 H TYR 22 H TYR 22 -5.048 -12.734 -2.207 151 HA TYR 22 HA TYR 22 -2.393 -12.916 -1.297 152 HB2 TYR 22 HB2 TYR 22 -4.354 -12.625 0.187 153 HB3 TYR 22 HB3 TYR 22 -4.846 -14.282 -0.167 154 HD1 TYR 22 HD1 TYR 22 -2.260 -12.176 1.437 155 HD2 TYR 22 HD2 TYR 22 -3.683 -16.174 0.777 156 HE1 TYR 22 HE1 TYR 22 -0.726 -13.011 3.198 157 HE2 TYR 22 HE2 TYR 22 -2.150 -17.011 2.538 158 HH TYR 22 HH TYR 22 0.376 -15.129 3.818 159 H GLY 23 H GLY 23 -4.634 -15.404 -2.474 160 HA2 GLY 23 HA2 GLY 23 -3.112 -17.673 -1.885 161 HA3 GLY 23 HA3 GLY 23 -4.262 -17.553 -3.213 162 H LYS 24 H LYS 24 -3.088 -15.621 -4.798 163 HA LYS 24 HA LYS 24 -1.170 -17.107 -6.237 164 HB2 LYS 24 HB2 LYS 24 -2.634 -15.323 -7.201 165 HB3 LYS 24 HB3 LYS 24 -1.640 -14.122 -6.379 166 HG2 LYS 24 HG2 LYS 24 0.366 -15.058 -7.564 167 HG3 LYS 24 HG3 LYS 24 -0.721 -16.103 -8.480 168 HD2 LYS 24 HD2 LYS 24 -1.233 -13.145 -8.403 169 HD3 LYS 24 HD3 LYS 24 -0.004 -13.786 -9.492 170 HE2 LYS 24 HE2 LYS 24 -1.540 -14.834 -10.828 171 HE3 LYS 24 HE3 LYS 24 -2.613 -15.205 -9.480 172 HZ1 LYS 24 HZ1 LYS 24 -2.351 -12.392 -9.997 173 HZ2 LYS 24 HZ2 LYS 24 -3.750 -13.329 -9.777 174 HZ3 LYS 24 HZ3 LYS 24 -3.009 -13.248 -11.304 175 H VAL 25 H VAL 25 -0.862 -14.489 -3.885 176 HA VAL 25 HA VAL 25 1.903 -14.021 -4.171 177 HB VAL 25 HB VAL 25 0.063 -13.690 -1.792 178 HG11 VAL 25 HG11 VAL 25 2.319 -13.842 -0.948 179 HG12 VAL 25 HG12 VAL 25 1.885 -12.133 -0.988 180 HG13 VAL 25 HG13 VAL 25 2.925 -12.808 -2.240 181 HG21 VAL 25 HG21 VAL 25 -0.418 -11.620 -2.635 182 HG22 VAL 25 HG22 VAL 25 0.059 -12.351 -4.167 183 HG23 VAL 25 HG23 VAL 25 1.217 -11.385 -3.254 184 H LEU 26 H LEU 26 0.079 -16.280 -2.149 185 HA LEU 26 HA LEU 26 2.200 -17.275 -0.606 186 HB2 LEU 26 HB2 LEU 26 -0.226 -17.722 -0.199 187 HB3 LEU 26 HB3 LEU 26 -0.219 -18.808 -1.586 188 HG LEU 26 HG LEU 26 1.721 -20.030 -0.413 189 HD11 LEU 26 HD11 LEU 26 1.491 -19.764 2.146 190 HD12 LEU 26 HD12 LEU 26 0.726 -18.218 1.791 191 HD13 LEU 26 HD13 LEU 26 2.388 -18.518 1.284 192 HD21 LEU 26 HD21 LEU 26 -0.237 -21.266 -0.422 193 HD22 LEU 26 HD22 LEU 26 -1.163 -20.000 0.382 194 HD23 LEU 26 HD23 LEU 26 -0.053 -21.007 1.313 195 H ALA 27 H ALA 27 1.074 -18.109 -3.839 196 HA ALA 27 HA ALA 27 2.556 -20.468 -4.212 197 HB1 ALA 27 HB1 ALA 27 0.738 -19.147 -5.698 198 HB2 ALA 27 HB2 ALA 27 1.809 -20.379 -6.365 199 HB3 ALA 27 HB3 ALA 27 2.210 -18.672 -6.545 200 H ASP 28 H ASP 28 3.438 -17.068 -4.615 201 HA ASP 28 HA ASP 28 6.040 -17.744 -5.719 202 HB2 ASP 28 HB2 ASP 28 4.829 -15.713 -6.449 203 HB3 ASP 28 HB3 ASP 28 4.947 -15.071 -4.812 204 H GLU 29 H GLU 29 7.375 -18.710 -4.308 205 HA GLU 29 HA GLU 29 7.456 -18.100 -1.510 206 HB2 GLU 29 HB2 GLU 29 8.066 -20.319 -2.459 207 HB3 GLU 29 HB3 GLU 29 9.492 -19.580 -3.188 208 HG2 GLU 29 HG2 GLU 29 10.233 -18.854 -0.920 209 HG3 GLU 29 HG3 GLU 29 8.853 -19.706 -0.228 210 H ARG 30 H ARG 30 9.128 -16.927 -4.338 211 HA ARG 30 HA ARG 30 11.461 -15.901 -3.250 212 HB2 ARG 30 HB2 ARG 30 9.715 -14.745 -5.433 213 HB3 ARG 30 HB3 ARG 30 11.365 -14.223 -5.090 214 HG2 ARG 30 HG2 ARG 30 12.135 -16.576 -5.445 215 HG3 ARG 30 HG3 ARG 30 10.491 -17.006 -5.918 216 HD2 ARG 30 HD2 ARG 30 12.275 -14.971 -7.283 217 HD3 ARG 30 HD3 ARG 30 11.828 -16.553 -7.913 218 HE ARG 30 HE ARG 30 10.216 -14.170 -7.971 219 HH11 ARG 30 HH11 ARG 30 10.205 -17.627 -7.808 220 HH12 ARG 30 HH12 ARG 30 8.634 -17.793 -8.518 221 HH21 ARG 30 HH21 ARG 30 8.155 -14.380 -8.903 222 HH22 ARG 30 HH22 ARG 30 7.474 -15.955 -9.139 223 H VAL 31 H VAL 31 8.225 -14.416 -3.301 224 HA VAL 31 HA VAL 31 9.154 -12.007 -2.015 225 HB VAL 31 HB VAL 31 6.701 -11.507 -1.816 226 HG11 VAL 31 HG11 VAL 31 6.349 -11.420 -4.316 227 HG12 VAL 31 HG12 VAL 31 7.830 -12.361 -4.497 228 HG13 VAL 31 HG13 VAL 31 7.890 -10.750 -3.780 229 HG21 VAL 31 HG21 VAL 31 5.114 -13.023 -2.833 230 HG22 VAL 31 HG22 VAL 31 6.047 -13.942 -1.652 231 HG23 VAL 31 HG23 VAL 31 6.409 -14.090 -3.371 232 H ASN 32 H ASN 32 7.760 -15.054 -1.016 233 HA ASN 32 HA ASN 32 6.914 -14.409 1.569 234 HB2 ASN 32 HB2 ASN 32 8.098 -16.980 0.503 235 HB3 ASN 32 HB3 ASN 32 7.305 -16.824 2.069 236 HD21 ASN 32 HD21 ASN 32 6.252 -18.559 0.053 237 HD22 ASN 32 HD22 ASN 32 4.771 -17.923 -0.478 238 H ARG 33 H ARG 33 10.127 -14.975 0.294 239 HA ARG 33 HA ARG 33 11.561 -15.511 2.608 240 HB2 ARG 33 HB2 ARG 33 12.372 -13.846 0.215 241 HB3 ARG 33 HB3 ARG 33 13.487 -14.460 1.437 242 HG2 ARG 33 HG2 ARG 33 12.780 -16.772 0.914 243 HG3 ARG 33 HG3 ARG 33 11.689 -16.152 -0.326 244 HD2 ARG 33 HD2 ARG 33 13.726 -16.843 -1.423 245 HD3 ARG 33 HD3 ARG 33 13.677 -15.083 -1.436 246 HE ARG 33 HE ARG 33 15.546 -15.077 -0.059 247 HH11 ARG 33 HH11 ARG 33 14.020 -18.182 -0.077 248 HH12 ARG 33 HH12 ARG 33 15.279 -18.960 0.824 249 HH21 ARG 33 HH21 ARG 33 17.201 -16.089 1.122 250 HH22 ARG 33 HH22 ARG 33 17.081 -17.774 1.502 251 H PHE 34 H PHE 34 10.483 -12.391 1.322 252 HA PHE 34 HA PHE 34 11.837 -10.804 3.270 253 HB2 PHE 34 HB2 PHE 34 9.500 -10.212 1.446 254 HB3 PHE 34 HB3 PHE 34 10.266 -9.007 2.481 255 HD1 PHE 34 HD1 PHE 34 12.633 -8.354 2.122 256 HD2 PHE 34 HD2 PHE 34 10.602 -11.050 -0.534 257 HE1 PHE 34 HE1 PHE 34 14.412 -8.025 0.426 258 HE2 PHE 34 HE2 PHE 34 12.381 -10.722 -2.230 259 HZ PHE 34 HZ PHE 34 14.287 -9.209 -1.750 260 H PHE 35 H PHE 35 8.739 -12.429 3.181 261 HA PHE 35 HA PHE 35 7.782 -11.039 5.556 262 HB2 PHE 35 HB2 PHE 35 6.580 -13.251 3.882 263 HB3 PHE 35 HB3 PHE 35 5.789 -12.522 5.280 264 HD1 PHE 35 HD1 PHE 35 5.278 -10.053 5.268 265 HD2 PHE 35 HD2 PHE 35 6.619 -12.146 1.766 266 HE1 PHE 35 HE1 PHE 35 4.471 -8.189 3.845 267 HE2 PHE 35 HE2 PHE 35 5.814 -10.281 0.343 268 HZ PHE 35 HZ PHE 35 4.739 -8.303 1.382 269 H VAL 36 H VAL 36 10.077 -13.234 5.256 270 HA VAL 36 HA VAL 36 9.370 -15.443 6.819 271 HB VAL 36 HB VAL 36 12.013 -14.013 6.490 272 HG11 VAL 36 HG11 VAL 36 11.277 -16.513 8.016 273 HG12 VAL 36 HG12 VAL 36 12.249 -15.147 8.560 274 HG13 VAL 36 HG13 VAL 36 12.899 -16.274 7.369 275 HG21 VAL 36 HG21 VAL 36 12.378 -15.455 4.741 276 HG22 VAL 36 HG22 VAL 36 10.615 -15.448 4.677 277 HG23 VAL 36 HG23 VAL 36 11.463 -16.761 5.492 278 H ASN 37 H ASN 37 10.486 -12.223 7.773 279 HA ASN 37 HA ASN 37 10.459 -12.914 10.595 280 HB2 ASN 37 HB2 ASN 37 10.865 -10.262 9.190 281 HB3 ASN 37 HB3 ASN 37 11.058 -10.533 10.922 282 HD21 ASN 37 HD21 ASN 37 13.253 -9.653 9.302 283 HD22 ASN 37 HD22 ASN 37 14.401 -10.902 9.241 284 H THR 38 H THR 38 8.072 -12.456 8.463 285 HA THR 38 HA THR 38 6.324 -11.132 10.451 286 HB THR 38 HB THR 38 6.056 -11.015 7.437 287 HG1 THR 38 HG1 THR 38 6.674 -8.893 9.185 288 HG21 THR 38 HG21 THR 38 3.921 -10.899 8.665 289 HG22 THR 38 HG22 THR 38 4.318 -9.341 7.939 290 HG23 THR 38 HG23 THR 38 4.569 -9.600 9.666 291 H ASP 39 H ASP 39 4.397 -12.116 10.908 292 HA ASP 39 HA ASP 39 4.114 -14.874 10.101 293 HB2 ASP 39 HB2 ASP 39 2.214 -14.910 11.629 294 HB3 ASP 39 HB3 ASP 39 3.591 -14.126 12.401 295 H MET 40 H MET 40 1.966 -15.702 9.356 296 HA MET 40 HA MET 40 1.281 -14.583 6.872 297 HB2 MET 40 HB2 MET 40 -0.185 -16.573 8.613 298 HB3 MET 40 HB3 MET 40 -0.650 -16.181 6.958 299 HG2 MET 40 HG2 MET 40 1.635 -16.839 6.199 300 HG3 MET 40 HG3 MET 40 2.009 -17.331 7.851 301 HE1 MET 40 HE1 MET 40 2.245 -19.378 5.348 302 HE2 MET 40 HE2 MET 40 1.728 -20.772 6.294 303 HE3 MET 40 HE3 MET 40 2.719 -19.524 7.046 304 H ALA 41 H ALA 41 -0.188 -14.217 10.066 305 HA ALA 41 HA ALA 41 -2.595 -13.005 9.261 306 HB1 ALA 41 HB1 ALA 41 -1.294 -12.084 11.777 307 HB2 ALA 41 HB2 ALA 41 -1.663 -13.803 11.632 308 HB3 ALA 41 HB3 ALA 41 -2.954 -12.609 11.492 309 H LYS 42 H LYS 42 0.406 -11.439 10.415 310 HA LYS 42 HA LYS 42 -0.435 -8.802 9.881 311 HB2 LYS 42 HB2 LYS 42 2.347 -9.979 10.045 312 HB3 LYS 42 HB3 LYS 42 1.999 -8.251 9.986 313 HG2 LYS 42 HG2 LYS 42 0.581 -8.511 12.027 314 HG3 LYS 42 HG3 LYS 42 1.074 -10.202 12.114 315 HD2 LYS 42 HD2 LYS 42 3.455 -9.464 12.236 316 HD3 LYS 42 HD3 LYS 42 2.903 -7.789 12.269 317 HE2 LYS 42 HE2 LYS 42 1.861 -9.796 14.262 318 HE3 LYS 42 HE3 LYS 42 3.385 -8.951 14.539 319 HZ1 LYS 42 HZ1 LYS 42 0.786 -8.007 14.949 320 HZ2 LYS 42 HZ2 LYS 42 1.476 -7.084 13.701 321 HZ3 LYS 42 HZ3 LYS 42 2.250 -7.192 15.209 322 H GLN 43 H GLN 43 1.163 -11.221 7.877 323 HA GLN 43 HA GLN 43 1.999 -9.601 5.760 324 HB2 GLN 43 HB2 GLN 43 2.553 -12.021 6.048 325 HB3 GLN 43 HB3 GLN 43 0.910 -12.416 5.542 326 HG2 GLN 43 HG2 GLN 43 1.309 -11.202 3.406 327 HG3 GLN 43 HG3 GLN 43 2.974 -10.914 3.907 328 HE21 GLN 43 HE21 GLN 43 2.359 -13.856 5.222 329 HE22 GLN 43 HE22 GLN 43 2.835 -14.862 3.940 330 H LYS 44 H LYS 44 -1.137 -11.199 6.288 331 HA LYS 44 HA LYS 44 -2.330 -10.427 3.858 332 HB2 LYS 44 HB2 LYS 44 -3.557 -11.011 6.560 333 HB3 LYS 44 HB3 LYS 44 -4.491 -10.785 5.081 334 HG2 LYS 44 HG2 LYS 44 -3.265 -12.652 4.021 335 HG3 LYS 44 HG3 LYS 44 -2.335 -12.878 5.500 336 HD2 LYS 44 HD2 LYS 44 -4.092 -14.485 5.611 337 HD3 LYS 44 HD3 LYS 44 -4.573 -13.185 6.699 338 HE2 LYS 44 HE2 LYS 44 -5.522 -12.543 4.072 339 HE3 LYS 44 HE3 LYS 44 -5.992 -14.200 4.441 340 HZ1 LYS 44 HZ1 LYS 44 -7.192 -11.902 5.353 341 HZ2 LYS 44 HZ2 LYS 44 -6.350 -12.515 6.695 342 HZ3 LYS 44 HZ3 LYS 44 -7.487 -13.485 5.887 343 H GLN 45 H GLN 45 -1.994 -8.758 6.942 344 HA GLN 45 HA GLN 45 -3.806 -6.659 6.506 345 HB2 GLN 45 HB2 GLN 45 -2.648 -7.182 8.668 346 HB3 GLN 45 HB3 GLN 45 -1.178 -6.478 7.993 347 HG2 GLN 45 HG2 GLN 45 -2.230 -4.725 9.228 348 HG3 GLN 45 HG3 GLN 45 -2.552 -4.379 7.530 349 HE21 GLN 45 HE21 GLN 45 -4.702 -3.882 7.114 350 HE22 GLN 45 HE22 GLN 45 -6.023 -4.428 8.028 351 H HIS 46 H HIS 46 -0.395 -7.005 5.591 352 HA HIS 46 HA HIS 46 -0.008 -4.393 4.617 353 HB2 HIS 46 HB2 HIS 46 1.838 -5.980 5.035 354 HB3 HIS 46 HB3 HIS 46 1.300 -6.951 3.664 355 HD1 HIS 46 HD1 HIS 46 2.250 -6.318 1.437 356 HD2 HIS 46 HD2 HIS 46 2.514 -3.184 4.172 357 HE1 HIS 46 HE1 HIS 46 3.525 -4.461 0.278 358 H GLN 47 H GLN 47 -1.095 -7.354 2.975 359 HA GLN 47 HA GLN 47 -1.239 -6.299 0.374 360 HB2 GLN 47 HB2 GLN 47 -2.736 -8.524 1.750 361 HB3 GLN 47 HB3 GLN 47 -3.012 -8.118 0.057 362 HG2 GLN 47 HG2 GLN 47 -1.247 -9.949 0.627 363 HG3 GLN 47 HG3 GLN 47 -0.844 -8.734 -0.578 364 HE21 GLN 47 HE21 GLN 47 0.364 -10.252 2.156 365 HE22 GLN 47 HE22 GLN 47 1.497 -9.080 2.627 366 H LYS 48 H LYS 48 -3.561 -6.235 3.043 367 HA LYS 48 HA LYS 48 -5.768 -5.233 1.608 368 HB2 LYS 48 HB2 LYS 48 -5.869 -6.109 3.940 369 HB3 LYS 48 HB3 LYS 48 -5.036 -4.655 4.489 370 HG2 LYS 48 HG2 LYS 48 -6.863 -3.270 3.535 371 HG3 LYS 48 HG3 LYS 48 -7.710 -4.744 3.062 372 HD2 LYS 48 HD2 LYS 48 -7.696 -5.454 5.467 373 HD3 LYS 48 HD3 LYS 48 -7.011 -3.882 5.883 374 HE2 LYS 48 HE2 LYS 48 -9.117 -3.088 5.986 375 HE3 LYS 48 HE3 LYS 48 -9.209 -3.302 4.237 376 HZ1 LYS 48 HZ1 LYS 48 -10.609 -4.685 6.217 377 HZ2 LYS 48 HZ2 LYS 48 -9.565 -5.795 5.465 378 HZ3 LYS 48 HZ3 LYS 48 -10.679 -4.908 4.537 379 H ASP 49 H ASP 49 -3.168 -3.558 3.364 380 HA ASP 49 HA ASP 49 -4.081 -0.929 2.794 381 HB2 ASP 49 HB2 ASP 49 -1.334 -1.978 3.504 382 HB3 ASP 49 HB3 ASP 49 -1.750 -0.268 3.415 383 H PHE 50 H PHE 50 -1.823 -3.126 1.190 384 HA PHE 50 HA PHE 50 -0.824 -1.343 -0.745 385 HB2 PHE 50 HB2 PHE 50 0.132 -3.589 -0.246 386 HB3 PHE 50 HB3 PHE 50 -1.263 -4.324 -1.035 387 HD1 PHE 50 HD1 PHE 50 1.786 -2.310 -1.543 388 HD2 PHE 50 HD2 PHE 50 -1.555 -4.222 -3.447 389 HE1 PHE 50 HE1 PHE 50 2.882 -2.033 -3.749 390 HE2 PHE 50 HE2 PHE 50 -0.458 -3.942 -5.654 391 HZ PHE 50 HZ PHE 50 1.760 -2.846 -5.804 392 H MET 51 H MET 51 -3.586 -3.575 -0.834 393 HA MET 51 HA MET 51 -4.375 -3.077 -3.484 394 HB2 MET 51 HB2 MET 51 -5.202 -4.943 -2.028 395 HB3 MET 51 HB3 MET 51 -6.185 -3.764 -1.161 396 HG2 MET 51 HG2 MET 51 -7.276 -3.144 -3.320 397 HG3 MET 51 HG3 MET 51 -6.358 -4.424 -4.115 398 HE1 MET 51 HE1 MET 51 -8.579 -4.632 -4.903 399 HE2 MET 51 HE2 MET 51 -10.010 -5.188 -4.037 400 HE3 MET 51 HE3 MET 51 -8.859 -6.363 -4.667 401 H THR 52 H THR 52 -5.232 -1.458 -0.449 402 HA THR 52 HA THR 52 -7.225 0.242 -1.491 403 HB THR 52 HB THR 52 -5.341 0.808 0.810 404 HG1 THR 52 HG1 THR 52 -7.907 -0.381 0.865 405 HG21 THR 52 HG21 THR 52 -8.045 1.737 1.117 406 HG22 THR 52 HG22 THR 52 -7.391 2.342 -0.406 407 HG23 THR 52 HG23 THR 52 -6.553 2.676 1.110 408 H TYR 53 H TYR 53 -3.714 0.603 -1.247 409 HA TYR 53 HA TYR 53 -3.525 3.298 -2.017 410 HB2 TYR 53 HB2 TYR 53 -1.657 1.956 -1.070 411 HB3 TYR 53 HB3 TYR 53 -1.547 1.083 -2.598 412 HD1 TYR 53 HD1 TYR 53 -1.162 4.396 -0.980 413 HD2 TYR 53 HD2 TYR 53 -0.577 2.091 -4.558 414 HE1 TYR 53 HE1 TYR 53 0.244 6.210 -1.920 415 HE2 TYR 53 HE2 TYR 53 0.828 3.905 -5.497 416 HH TYR 53 HH TYR 53 1.072 7.021 -3.962 417 H ALA 54 H ALA 54 -3.732 0.338 -3.937 418 HA ALA 54 HA ALA 54 -3.116 1.408 -6.454 419 HB1 ALA 54 HB1 ALA 54 -5.136 -0.566 -6.779 420 HB2 ALA 54 HB2 ALA 54 -4.132 -1.050 -5.412 421 HB3 ALA 54 HB3 ALA 54 -3.393 -0.746 -6.985 422 H PHE 55 H PHE 55 -6.070 1.518 -4.572 423 HA PHE 55 HA PHE 55 -7.595 2.628 -6.801 424 HB2 PHE 55 HB2 PHE 55 -8.288 1.879 -3.963 425 HB3 PHE 55 HB3 PHE 55 -9.409 2.765 -4.997 426 HD1 PHE 55 HD1 PHE 55 -7.168 -0.244 -5.139 427 HD2 PHE 55 HD2 PHE 55 -10.895 1.538 -6.307 428 HE1 PHE 55 HE1 PHE 55 -7.839 -2.367 -6.231 429 HE2 PHE 55 HE2 PHE 55 -11.566 -0.583 -7.404 430 HZ PHE 55 HZ PHE 55 -10.039 -2.537 -7.364 431 H GLY 56 H GLY 56 -5.269 3.914 -5.092 432 HA2 GLY 56 HA2 GLY 56 -4.727 6.192 -4.943 433 HA3 GLY 56 HA3 GLY 56 -6.426 6.591 -5.181 434 H GLY 57 H GLY 57 -5.549 4.177 -2.857 435 HA2 GLY 57 HA2 GLY 57 -6.838 5.549 -0.720 436 HA3 GLY 57 HA3 GLY 57 -5.899 4.066 -0.585 437 H THR 58 H THR 58 -4.805 7.223 -1.786 438 HA THR 58 HA THR 58 -2.397 7.161 -0.310 439 HB THR 58 HB THR 58 -2.097 9.458 -1.032 440 HG1 THR 58 HG1 THR 58 -3.790 10.623 -1.850 441 HG21 THR 58 HG21 THR 58 -2.152 7.435 -2.690 442 HG22 THR 58 HG22 THR 58 -2.104 9.075 -3.338 443 HG23 THR 58 HG23 THR 58 -3.630 8.192 -3.284 444 H ASP 59 H ASP 59 -5.608 8.149 0.488 445 HA ASP 59 HA ASP 59 -5.001 9.887 2.658 446 HB2 ASP 59 HB2 ASP 59 -7.466 8.255 2.019 447 HB3 ASP 59 HB3 ASP 59 -7.372 9.425 3.334 448 H ARG 60 H ARG 60 -5.559 9.378 4.943 449 HA ARG 60 HA ARG 60 -5.342 8.144 6.866 450 HB2 ARG 60 HB2 ARG 60 -6.332 6.241 4.970 451 HB3 ARG 60 HB3 ARG 60 -5.087 5.462 5.945 452 HG2 ARG 60 HG2 ARG 60 -7.353 7.094 7.123 453 HG3 ARG 60 HG3 ARG 60 -7.420 5.344 6.920 454 HD2 ARG 60 HD2 ARG 60 -6.304 5.086 8.851 455 HD3 ARG 60 HD3 ARG 60 -4.934 5.953 8.165 456 HE ARG 60 HE ARG 60 -5.532 7.752 9.484 457 HH11 ARG 60 HH11 ARG 60 -8.257 5.687 8.952 458 HH12 ARG 60 HH12 ARG 60 -9.318 6.594 9.977 459 HH21 ARG 60 HH21 ARG 60 -6.918 8.947 10.827 460 HH22 ARG 60 HH22 ARG 60 -8.560 8.439 11.039 461 H PHE 61 H PHE 61 -3.157 8.284 4.387 462 HA PHE 61 HA PHE 61 -1.021 7.206 6.123 463 HB2 PHE 61 HB2 PHE 61 -0.941 7.098 3.105 464 HB3 PHE 61 HB3 PHE 61 0.133 6.295 4.250 465 HD1 PHE 61 HD1 PHE 61 -1.449 4.970 6.168 466 HD2 PHE 61 HD2 PHE 61 -2.344 5.602 2.013 467 HE1 PHE 61 HE1 PHE 61 -2.951 2.997 6.190 468 HE2 PHE 61 HE2 PHE 61 -3.846 3.627 2.038 469 HZ PHE 61 HZ PHE 61 -4.149 2.327 4.127 470 HA PRO 62 HA PRO 62 -0.338 11.656 4.792 471 HB2 PRO 62 HB2 PRO 62 -0.223 12.722 7.310 472 HB3 PRO 62 HB3 PRO 62 -1.724 12.575 6.378 473 HG2 PRO 62 HG2 PRO 62 -0.695 10.880 8.590 474 HG3 PRO 62 HG3 PRO 62 -2.354 11.378 8.224 475 HD2 PRO 62 HD2 PRO 62 -1.353 8.887 7.626 476 HD3 PRO 62 HD3 PRO 62 -2.685 9.653 6.734 477 H GLY 63 H GLY 63 1.658 12.671 4.754 478 HA2 GLY 63 HA2 GLY 63 3.878 13.107 5.304 479 HA3 GLY 63 HA3 GLY 63 3.749 11.961 6.634 480 H ARG 64 H ARG 64 5.962 11.442 5.726 481 HA ARG 64 HA ARG 64 5.708 9.415 3.586 482 HB2 ARG 64 HB2 ARG 64 8.278 9.918 3.373 483 HB3 ARG 64 HB3 ARG 64 7.105 10.984 2.600 484 HG2 ARG 64 HG2 ARG 64 7.276 12.605 4.338 485 HG3 ARG 64 HG3 ARG 64 8.134 11.484 5.398 486 HD2 ARG 64 HD2 ARG 64 9.754 13.018 4.457 487 HD3 ARG 64 HD3 ARG 64 10.006 11.434 3.731 488 HE ARG 64 HE ARG 64 9.202 12.278 1.687 489 HH11 ARG 64 HH11 ARG 64 8.902 14.548 4.284 490 HH12 ARG 64 HH12 ARG 64 8.588 15.900 3.247 491 HH21 ARG 64 HH21 ARG 64 8.791 14.045 0.324 492 HH22 ARG 64 HH22 ARG 64 8.525 15.615 1.007 493 H SER 65 H SER 65 8.739 9.711 5.099 494 HA SER 65 HA SER 65 9.953 8.234 6.379 495 HB2 SER 65 HB2 SER 65 8.354 9.362 8.052 496 HB3 SER 65 HB3 SER 65 7.436 7.859 7.994 497 HG SER 65 HG SER 65 9.880 8.422 9.136 498 H MET 66 H MET 66 7.648 7.241 4.372 499 HA MET 66 HA MET 66 6.975 4.624 5.138 500 HB2 MET 66 HB2 MET 66 7.364 5.819 2.385 501 HB3 MET 66 HB3 MET 66 6.640 4.240 2.691 502 HG2 MET 66 HG2 MET 66 5.610 6.845 3.849 503 HG3 MET 66 HG3 MET 66 4.937 6.053 2.424 504 HE1 MET 66 HE1 MET 66 4.811 6.275 6.303 505 HE2 MET 66 HE2 MET 66 3.135 5.740 6.208 506 HE3 MET 66 HE3 MET 66 3.714 6.999 5.119 507 H ARG 67 H ARG 67 9.844 5.944 3.587 508 HA ARG 67 HA ARG 67 11.040 3.568 2.712 509 HB2 ARG 67 HB2 ARG 67 12.334 6.093 3.772 510 HB3 ARG 67 HB3 ARG 67 13.180 4.819 2.894 511 HG2 ARG 67 HG2 ARG 67 11.612 5.151 0.979 512 HG3 ARG 67 HG3 ARG 67 10.886 6.504 1.848 513 HD2 ARG 67 HD2 ARG 67 13.184 7.547 1.962 514 HD3 ARG 67 HD3 ARG 67 13.746 6.273 0.884 515 HE ARG 67 HE ARG 67 12.537 7.269 -0.871 516 HH11 ARG 67 HH11 ARG 67 11.941 8.773 2.189 517 HH12 ARG 67 HH12 ARG 67 11.151 10.157 1.510 518 HH21 ARG 67 HH21 ARG 67 11.501 9.081 -1.767 519 HH22 ARG 67 HH22 ARG 67 10.903 10.331 -0.729 520 H ALA 68 H ALA 68 10.981 5.103 5.887 521 HA ALA 68 HA ALA 68 12.924 3.476 7.136 522 HB1 ALA 68 HB1 ALA 68 11.334 5.619 7.890 523 HB2 ALA 68 HB2 ALA 68 12.449 4.740 8.936 524 HB3 ALA 68 HB3 ALA 68 10.744 4.294 8.894 525 H ALA 69 H ALA 69 9.456 3.078 6.620 526 HA ALA 69 HA ALA 69 9.086 0.837 8.306 527 HB1 ALA 69 HB1 ALA 69 7.416 2.412 6.864 528 HB2 ALA 69 HB2 ALA 69 6.950 0.845 7.525 529 HB3 ALA 69 HB3 ALA 69 7.457 0.975 5.841 530 H HIS 70 H HIS 70 10.107 1.161 4.945 531 HA HIS 70 HA HIS 70 10.228 -1.748 4.634 532 HB2 HIS 70 HB2 HIS 70 10.806 0.494 2.683 533 HB3 HIS 70 HB3 HIS 70 10.831 -1.226 2.292 534 HD1 HIS 70 HD1 HIS 70 8.528 1.632 2.877 535 HD2 HIS 70 HD2 HIS 70 8.230 -2.498 2.398 536 HE1 HIS 70 HE1 HIS 70 6.077 1.134 2.477 537 H GLN 71 H GLN 71 12.234 0.840 5.558 538 HA GLN 71 HA GLN 71 14.734 0.092 4.547 539 HB2 GLN 71 HB2 GLN 71 14.249 2.218 5.758 540 HB3 GLN 71 HB3 GLN 71 14.180 1.302 7.264 541 HG2 GLN 71 HG2 GLN 71 16.501 0.500 6.840 542 HG3 GLN 71 HG3 GLN 71 16.564 1.520 5.403 543 HE21 GLN 71 HE21 GLN 71 17.681 1.524 8.466 544 HE22 GLN 71 HE22 GLN 71 17.605 3.182 8.820 545 H ASP 72 H ASP 72 12.956 -1.072 7.373 546 HA ASP 72 HA ASP 72 14.976 -2.538 8.621 547 HB2 ASP 72 HB2 ASP 72 12.011 -3.095 8.412 548 HB3 ASP 72 HB3 ASP 72 13.102 -3.969 9.484 549 H LEU 73 H LEU 73 12.859 -3.414 5.923 550 HA LEU 73 HA LEU 73 13.642 -6.124 5.714 551 HB2 LEU 73 HB2 LEU 73 12.654 -4.217 3.577 552 HB3 LEU 73 HB3 LEU 73 12.746 -5.970 3.410 553 HG LEU 73 HG LEU 73 11.136 -4.529 5.539 554 HD11 LEU 73 HD11 LEU 73 10.578 -5.128 2.750 555 HD12 LEU 73 HD12 LEU 73 9.616 -4.205 3.905 556 HD13 LEU 73 HD13 LEU 73 9.445 -5.959 3.817 557 HD21 LEU 73 HD21 LEU 73 10.133 -7.067 5.274 558 HD22 LEU 73 HD22 LEU 73 11.317 -6.593 6.493 559 HD23 LEU 73 HD23 LEU 73 11.852 -7.345 4.989 560 H VAL 74 H VAL 74 14.942 -3.139 4.356 561 HA VAL 74 HA VAL 74 16.806 -4.309 2.582 562 HB VAL 74 HB VAL 74 16.796 -1.631 3.987 563 HG11 VAL 74 HG11 VAL 74 18.729 -2.918 2.111 564 HG12 VAL 74 HG12 VAL 74 19.018 -1.731 3.384 565 HG13 VAL 74 HG13 VAL 74 18.342 -1.219 1.838 566 HG21 VAL 74 HG21 VAL 74 15.846 -0.798 1.975 567 HG22 VAL 74 HG22 VAL 74 14.966 -2.293 2.293 568 HG23 VAL 74 HG23 VAL 74 16.248 -2.265 1.083 569 H GLU 75 H GLU 75 17.037 -3.350 5.983 570 HA GLU 75 HA GLU 75 19.810 -3.753 6.292 571 HB2 GLU 75 HB2 GLU 75 17.558 -3.970 8.303 572 HB3 GLU 75 HB3 GLU 75 19.272 -3.953 8.719 573 HG2 GLU 75 HG2 GLU 75 17.840 -1.759 7.192 574 HG3 GLU 75 HG3 GLU 75 18.236 -1.698 8.909 575 H ASN 76 H ASN 76 17.071 -5.972 6.493 576 HA ASN 76 HA ASN 76 18.833 -8.168 7.294 577 HB2 ASN 76 HB2 ASN 76 15.844 -8.053 6.841 578 HB3 ASN 76 HB3 ASN 76 16.725 -9.478 7.393 579 HD21 ASN 76 HD21 ASN 76 14.704 -8.248 9.017 580 HD22 ASN 76 HD22 ASN 76 15.459 -7.578 10.382 581 H ALA 77 H ALA 77 16.343 -7.714 4.766 582 HA ALA 77 HA ALA 77 17.919 -9.516 3.033 583 HB1 ALA 77 HB1 ALA 77 15.565 -10.197 3.676 584 HB2 ALA 77 HB2 ALA 77 15.885 -10.127 1.943 585 HB3 ALA 77 HB3 ALA 77 14.996 -8.822 2.730 586 H GLY 78 H GLY 78 18.342 -8.941 0.907 587 HA2 GLY 78 HA2 GLY 78 18.386 -6.082 0.387 588 HA3 GLY 78 HA3 GLY 78 19.116 -7.340 -0.608 589 H LEU 79 H LEU 79 16.640 -5.120 -0.442 590 HA LEU 79 HA LEU 79 14.878 -6.647 -2.245 591 HB2 LEU 79 HB2 LEU 79 13.858 -5.597 -0.229 592 HB3 LEU 79 HB3 LEU 79 14.353 -4.018 -0.841 593 HG LEU 79 HG LEU 79 13.047 -4.472 -2.929 594 HD11 LEU 79 HD11 LEU 79 12.568 -7.026 -1.450 595 HD12 LEU 79 HD12 LEU 79 12.791 -6.756 -3.179 596 HD13 LEU 79 HD13 LEU 79 11.247 -6.372 -2.418 597 HD21 LEU 79 HD21 LEU 79 12.148 -3.593 -0.479 598 HD22 LEU 79 HD22 LEU 79 10.999 -4.880 -0.846 599 HD23 LEU 79 HD23 LEU 79 11.206 -3.537 -1.968 600 H THR 80 H THR 80 14.726 -6.141 -4.348 601 HA THR 80 HA THR 80 15.979 -3.621 -5.253 602 HB THR 80 HB THR 80 16.723 -4.765 -7.261 603 HG1 THR 80 HG1 THR 80 15.428 -6.990 -6.081 604 HG21 THR 80 HG21 THR 80 17.568 -5.436 -4.589 605 HG22 THR 80 HG22 THR 80 18.545 -5.259 -6.046 606 HG23 THR 80 HG23 THR 80 17.816 -6.817 -5.657 607 H ASP 81 H ASP 81 15.180 -2.920 -7.430 608 HA ASP 81 HA ASP 81 12.436 -2.438 -7.376 609 HB2 ASP 81 HB2 ASP 81 14.410 -2.304 -9.655 610 HB3 ASP 81 HB3 ASP 81 12.750 -1.724 -9.772 611 H VAL 82 H VAL 82 14.226 -5.004 -9.046 612 HA VAL 82 HA VAL 82 12.272 -5.926 -10.776 613 HB VAL 82 HB VAL 82 14.689 -6.786 -10.387 614 HG11 VAL 82 HG11 VAL 82 14.030 -7.456 -7.974 615 HG12 VAL 82 HG12 VAL 82 14.978 -8.609 -8.911 616 HG13 VAL 82 HG13 VAL 82 13.239 -8.842 -8.722 617 HG21 VAL 82 HG21 VAL 82 13.627 -9.226 -11.003 618 HG22 VAL 82 HG22 VAL 82 13.770 -7.899 -12.155 619 HG23 VAL 82 HG23 VAL 82 12.246 -8.175 -11.312 620 H HIS 83 H HIS 83 12.625 -6.568 -7.308 621 HA HIS 83 HA HIS 83 10.612 -8.509 -7.049 622 HB2 HIS 83 HB2 HIS 83 11.566 -6.410 -5.088 623 HB3 HIS 83 HB3 HIS 83 10.511 -7.759 -4.668 624 HD2 HIS 83 HD2 HIS 83 11.782 -10.326 -4.705 625 HE1 HIS 83 HE1 HIS 83 15.694 -8.829 -5.233 626 HE2 HIS 83 HE2 HIS 83 14.329 -10.902 -4.701 627 H PHE 84 H PHE 84 10.475 -4.974 -6.974 628 HA PHE 84 HA PHE 84 7.796 -4.653 -6.224 629 HB2 PHE 84 HB2 PHE 84 9.471 -2.817 -6.376 630 HB3 PHE 84 HB3 PHE 84 9.390 -2.927 -8.134 631 HD1 PHE 84 HD1 PHE 84 7.531 -2.031 -5.070 632 HD2 PHE 84 HD2 PHE 84 7.458 -2.134 -9.364 633 HE1 PHE 84 HE1 PHE 84 5.535 -0.559 -5.072 634 HE2 PHE 84 HE2 PHE 84 5.462 -0.662 -9.366 635 HZ PHE 84 HZ PHE 84 4.501 0.127 -7.219 636 H ASP 85 H ASP 85 9.258 -5.040 -9.436 637 HA ASP 85 HA ASP 85 6.881 -4.760 -10.933 638 HB2 ASP 85 HB2 ASP 85 9.218 -4.667 -11.845 639 HB3 ASP 85 HB3 ASP 85 9.299 -6.419 -11.666 640 H ALA 86 H ALA 86 8.352 -7.513 -9.312 641 HA ALA 86 HA ALA 86 6.857 -9.567 -10.522 642 HB1 ALA 86 HB1 ALA 86 8.902 -9.631 -8.865 643 HB2 ALA 86 HB2 ALA 86 7.748 -10.963 -8.908 644 HB3 ALA 86 HB3 ALA 86 7.638 -9.743 -7.640 645 H ILE 87 H ILE 87 6.316 -8.127 -7.281 646 HA ILE 87 HA ILE 87 3.793 -9.339 -6.920 647 HB ILE 87 HB ILE 87 5.294 -8.265 -5.147 648 HG12 ILE 87 HG12 ILE 87 2.390 -7.401 -5.081 649 HG13 ILE 87 HG13 ILE 87 2.895 -9.075 -4.845 650 HG21 ILE 87 HG21 ILE 87 3.745 -5.755 -5.659 651 HG22 ILE 87 HG22 ILE 87 5.199 -6.053 -6.610 652 HG23 ILE 87 HG23 ILE 87 5.299 -5.966 -4.852 653 HD11 ILE 87 HD11 ILE 87 2.666 -8.022 -2.666 654 HD12 ILE 87 HD12 ILE 87 3.708 -6.688 -3.163 655 HD13 ILE 87 HD13 ILE 87 4.378 -8.309 -2.977 656 H ALA 88 H ALA 88 4.777 -6.364 -8.488 657 HA ALA 88 HA ALA 88 2.202 -5.163 -8.637 658 HB1 ALA 88 HB1 ALA 88 4.476 -4.782 -10.591 659 HB2 ALA 88 HB2 ALA 88 4.423 -4.007 -9.008 660 HB3 ALA 88 HB3 ALA 88 3.181 -3.647 -10.206 661 H GLU 89 H GLU 89 4.027 -7.294 -10.801 662 HA GLU 89 HA GLU 89 2.232 -7.255 -12.972 663 HB2 GLU 89 HB2 GLU 89 4.550 -8.164 -13.059 664 HB3 GLU 89 HB3 GLU 89 4.012 -9.539 -12.092 665 HG2 GLU 89 HG2 GLU 89 2.317 -10.064 -13.841 666 HG3 GLU 89 HG3 GLU 89 2.961 -8.749 -14.823 667 H ASN 90 H ASN 90 2.339 -9.186 -10.025 668 HA ASN 90 HA ASN 90 0.414 -11.115 -10.678 669 HB2 ASN 90 HB2 ASN 90 1.090 -9.860 -8.010 670 HB3 ASN 90 HB3 ASN 90 0.078 -11.289 -8.207 671 HD21 ASN 90 HD21 ASN 90 2.527 -11.442 -6.756 672 HD22 ASN 90 HD22 ASN 90 3.621 -12.392 -7.641 673 H LEU 91 H LEU 91 0.073 -7.824 -9.446 674 HA LEU 91 HA LEU 91 -2.678 -7.898 -8.848 675 HB2 LEU 91 HB2 LEU 91 -1.099 -6.075 -8.181 676 HB3 LEU 91 HB3 LEU 91 -1.087 -5.528 -9.855 677 HG LEU 91 HG LEU 91 -3.645 -5.395 -9.672 678 HD11 LEU 91 HD11 LEU 91 -4.161 -6.607 -7.714 679 HD12 LEU 91 HD12 LEU 91 -4.308 -4.927 -7.207 680 HD13 LEU 91 HD13 LEU 91 -2.864 -5.847 -6.792 681 HD21 LEU 91 HD21 LEU 91 -1.642 -3.620 -8.332 682 HD22 LEU 91 HD22 LEU 91 -3.355 -3.250 -8.125 683 HD23 LEU 91 HD23 LEU 91 -2.653 -3.303 -9.742 684 H VAL 92 H VAL 92 -0.939 -7.223 -11.853 685 HA VAL 92 HA VAL 92 -3.156 -6.373 -13.379 686 HB VAL 92 HB VAL 92 -0.571 -7.710 -14.204 687 HG11 VAL 92 HG11 VAL 92 -2.934 -6.740 -15.757 688 HG12 VAL 92 HG12 VAL 92 -1.838 -8.080 -16.100 689 HG13 VAL 92 HG13 VAL 92 -1.329 -6.421 -16.415 690 HG21 VAL 92 HG21 VAL 92 -1.417 -4.824 -14.513 691 HG22 VAL 92 HG22 VAL 92 0.207 -5.500 -14.627 692 HG23 VAL 92 HG23 VAL 92 -0.598 -5.402 -13.061 693 H LEU 93 H LEU 93 -1.727 -9.587 -12.886 694 HA LEU 93 HA LEU 93 -3.405 -10.981 -14.681 695 HB2 LEU 93 HB2 LEU 93 -2.079 -12.008 -12.159 696 HB3 LEU 93 HB3 LEU 93 -2.688 -12.993 -13.489 697 HG LEU 93 HG LEU 93 -0.459 -10.944 -13.664 698 HD11 LEU 93 HD11 LEU 93 -0.551 -13.796 -13.079 699 HD12 LEU 93 HD12 LEU 93 0.812 -12.681 -12.980 700 HD13 LEU 93 HD13 LEU 93 0.419 -13.459 -14.513 701 HD21 LEU 93 HD21 LEU 93 -2.003 -12.506 -15.704 702 HD22 LEU 93 HD22 LEU 93 -0.285 -12.225 -15.983 703 HD23 LEU 93 HD23 LEU 93 -1.384 -10.857 -15.796 704 H THR 94 H THR 94 -3.773 -10.099 -11.285 705 HA THR 94 HA THR 94 -5.995 -11.689 -10.658 706 HB THR 94 HB THR 94 -5.383 -8.914 -9.619 707 HG1 THR 94 HG1 THR 94 -4.189 -11.367 -9.296 708 HG21 THR 94 HG21 THR 94 -7.173 -9.232 -8.301 709 HG22 THR 94 HG22 THR 94 -6.452 -10.718 -7.681 710 HG23 THR 94 HG23 THR 94 -7.492 -10.769 -9.104 711 H LEU 95 H LEU 95 -5.807 -8.457 -12.110 712 HA LEU 95 HA LEU 95 -8.582 -7.932 -12.144 713 HB2 LEU 95 HB2 LEU 95 -6.448 -6.946 -14.056 714 HB3 LEU 95 HB3 LEU 95 -8.044 -6.231 -13.826 715 HG LEU 95 HG LEU 95 -5.880 -6.468 -11.713 716 HD11 LEU 95 HD11 LEU 95 -7.017 -4.120 -13.256 717 HD12 LEU 95 HD12 LEU 95 -5.358 -4.719 -13.304 718 HD13 LEU 95 HD13 LEU 95 -5.978 -3.956 -11.840 719 HD21 LEU 95 HD21 LEU 95 -7.647 -4.815 -10.608 720 HD22 LEU 95 HD22 LEU 95 -7.817 -6.562 -10.439 721 HD23 LEU 95 HD23 LEU 95 -8.773 -5.695 -11.642 722 H GLN 96 H GLN 96 -6.463 -9.649 -14.376 723 HA GLN 96 HA GLN 96 -8.224 -9.863 -16.557 724 HB2 GLN 96 HB2 GLN 96 -6.069 -11.760 -15.598 725 HB3 GLN 96 HB3 GLN 96 -6.871 -11.867 -17.166 726 HG2 GLN 96 HG2 GLN 96 -6.084 -9.615 -17.744 727 HG3 GLN 96 HG3 GLN 96 -5.319 -9.463 -16.164 728 HE21 GLN 96 HE21 GLN 96 -3.763 -9.265 -18.542 729 HE22 GLN 96 HE22 GLN 96 -2.747 -10.622 -18.638 730 H GLU 97 H GLU 97 -7.909 -11.758 -13.604 731 HA GLU 97 HA GLU 97 -9.626 -13.887 -14.323 732 HB2 GLU 97 HB2 GLU 97 -8.967 -12.721 -11.607 733 HB3 GLU 97 HB3 GLU 97 -9.820 -14.243 -11.863 734 HG2 GLU 97 HG2 GLU 97 -7.878 -15.089 -13.160 735 HG3 GLU 97 HG3 GLU 97 -7.021 -13.585 -12.825 736 H LEU 98 H LEU 98 -10.213 -10.657 -13.114 737 HA LEU 98 HA LEU 98 -13.002 -11.145 -12.517 738 HB2 LEU 98 HB2 LEU 98 -11.521 -8.517 -12.773 739 HB3 LEU 98 HB3 LEU 98 -13.096 -8.766 -12.020 740 HG LEU 98 HG LEU 98 -10.460 -9.941 -11.087 741 HD11 LEU 98 HD11 LEU 98 -12.331 -7.961 -9.754 742 HD12 LEU 98 HD12 LEU 98 -10.849 -7.513 -10.601 743 HD13 LEU 98 HD13 LEU 98 -10.769 -8.507 -9.146 744 HD21 LEU 98 HD21 LEU 98 -11.991 -11.589 -10.481 745 HD22 LEU 98 HD22 LEU 98 -13.325 -10.444 -10.343 746 HD23 LEU 98 HD23 LEU 98 -12.091 -10.517 -9.084 747 H ASN 99 H ASN 99 -11.380 -10.973 -15.350 748 HA ASN 99 HA ASN 99 -12.017 -10.625 -17.530 749 HB2 ASN 99 HB2 ASN 99 -14.079 -11.859 -16.583 750 HB3 ASN 99 HB3 ASN 99 -14.845 -10.271 -16.559 751 HD21 ASN 99 HD21 ASN 99 -16.330 -11.231 -18.264 752 HD22 ASN 99 HD22 ASN 99 -15.801 -11.249 -19.876 753 H VAL 100 H VAL 100 -10.972 -8.440 -16.347 754 HA VAL 100 HA VAL 100 -12.770 -6.194 -16.990 755 HB VAL 100 HB VAL 100 -10.116 -6.187 -15.530 756 HG11 VAL 100 HG11 VAL 100 -11.692 -3.931 -14.916 757 HG12 VAL 100 HG12 VAL 100 -11.777 -4.108 -16.669 758 HG13 VAL 100 HG13 VAL 100 -10.211 -3.962 -15.872 759 HG21 VAL 100 HG21 VAL 100 -12.394 -7.262 -14.563 760 HG22 VAL 100 HG22 VAL 100 -12.701 -5.567 -14.184 761 HG23 VAL 100 HG23 VAL 100 -11.265 -6.367 -13.545 762 H SER 101 H SER 101 -12.313 -4.775 -18.607 763 HA SER 101 HA SER 101 -10.767 -5.548 -20.786 764 HB2 SER 101 HB2 SER 101 -12.551 -3.832 -20.877 765 HB3 SER 101 HB3 SER 101 -11.509 -2.723 -19.992 766 HG SER 101 HG SER 101 -11.518 -3.367 -22.620 767 H GLN 102 H GLN 102 -8.713 -5.155 -21.469 768 HA GLN 102 HA GLN 102 -6.665 -4.840 -19.588 769 HB2 GLN 102 HB2 GLN 102 -6.444 -5.897 -21.850 770 HB3 GLN 102 HB3 GLN 102 -6.466 -4.279 -22.552 771 HG2 GLN 102 HG2 GLN 102 -4.160 -4.850 -22.298 772 HG3 GLN 102 HG3 GLN 102 -4.525 -3.718 -20.997 773 HE21 GLN 102 HE21 GLN 102 -3.805 -4.397 -18.979 774 HE22 GLN 102 HE22 GLN 102 -3.566 -6.014 -18.524 775 H ASP 103 H ASP 103 -8.262 -2.469 -21.668 776 HA ASP 103 HA ASP 103 -6.503 -0.326 -21.370 777 HB2 ASP 103 HB2 ASP 103 -9.514 -0.347 -21.633 778 HB3 ASP 103 HB3 ASP 103 -8.525 1.107 -21.756 779 H LEU 104 H LEU 104 -9.176 -1.360 -19.268 780 HA LEU 104 HA LEU 104 -8.945 0.805 -17.436 781 HB2 LEU 104 HB2 LEU 104 -10.051 -1.979 -16.998 782 HB3 LEU 104 HB3 LEU 104 -10.312 -0.592 -15.943 783 HG LEU 104 HG LEU 104 -11.155 -0.780 -18.851 784 HD11 LEU 104 HD11 LEU 104 -12.857 -1.955 -17.892 785 HD12 LEU 104 HD12 LEU 104 -13.412 -0.366 -17.368 786 HD13 LEU 104 HD13 LEU 104 -12.471 -1.377 -16.271 787 HD21 LEU 104 HD21 LEU 104 -12.478 1.347 -17.903 788 HD22 LEU 104 HD22 LEU 104 -10.861 1.497 -18.589 789 HD23 LEU 104 HD23 LEU 104 -11.074 1.429 -16.840 790 H ILE 105 H ILE 105 -7.482 -2.396 -17.633 791 HA ILE 105 HA ILE 105 -6.289 -2.458 -15.080 792 HB ILE 105 HB ILE 105 -5.335 -3.713 -17.666 793 HG12 ILE 105 HG12 ILE 105 -7.040 -4.850 -15.426 794 HG13 ILE 105 HG13 ILE 105 -7.673 -4.293 -16.975 795 HG21 ILE 105 HG21 ILE 105 -4.690 -5.289 -15.420 796 HG22 ILE 105 HG22 ILE 105 -4.238 -3.641 -14.987 797 HG23 ILE 105 HG23 ILE 105 -3.570 -4.386 -16.439 798 HD11 ILE 105 HD11 ILE 105 -7.186 -6.286 -17.893 799 HD12 ILE 105 HD12 ILE 105 -6.545 -6.843 -16.347 800 HD13 ILE 105 HD13 ILE 105 -5.482 -6.045 -17.506 801 H ASP 106 H ASP 106 -5.185 -1.146 -18.173 802 HA ASP 106 HA ASP 106 -2.541 -0.547 -17.471 803 HB2 ASP 106 HB2 ASP 106 -4.433 0.846 -19.374 804 HB3 ASP 106 HB3 ASP 106 -2.711 1.204 -19.262 805 H GLU 107 H GLU 107 -5.534 1.270 -16.964 806 HA GLU 107 HA GLU 107 -4.354 3.667 -16.047 807 HB2 GLU 107 HB2 GLU 107 -7.043 2.431 -15.411 808 HB3 GLU 107 HB3 GLU 107 -6.576 4.080 -14.994 809 HG2 GLU 107 HG2 GLU 107 -6.151 4.543 -17.399 810 HG3 GLU 107 HG3 GLU 107 -6.701 2.915 -17.790 811 H VAL 108 H VAL 108 -5.239 0.670 -14.409 812 HA VAL 108 HA VAL 108 -4.861 1.580 -11.752 813 HB VAL 108 HB VAL 108 -4.657 -1.186 -12.963 814 HG11 VAL 108 HG11 VAL 108 -3.576 -1.612 -10.988 815 HG12 VAL 108 HG12 VAL 108 -5.218 -1.595 -10.345 816 HG13 VAL 108 HG13 VAL 108 -4.203 -0.158 -10.212 817 HG21 VAL 108 HG21 VAL 108 -6.833 -0.036 -11.209 818 HG22 VAL 108 HG22 VAL 108 -6.904 -1.461 -12.245 819 HG23 VAL 108 HG23 VAL 108 -6.867 0.149 -12.964 820 H VAL 109 H VAL 109 -2.682 0.090 -14.113 821 HA VAL 109 HA VAL 109 -0.454 -0.233 -12.416 822 HB VAL 109 HB VAL 109 -0.633 0.188 -15.406 823 HG11 VAL 109 HG11 VAL 109 1.703 -0.965 -15.224 824 HG12 VAL 109 HG12 VAL 109 1.693 -0.346 -13.572 825 HG13 VAL 109 HG13 VAL 109 1.590 0.772 -14.933 826 HG21 VAL 109 HG21 VAL 109 -0.074 -2.305 -15.317 827 HG22 VAL 109 HG22 VAL 109 -1.688 -1.863 -14.761 828 HG23 VAL 109 HG23 VAL 109 -0.420 -2.225 -13.590 829 H THR 110 H THR 110 -1.518 2.474 -14.433 830 HA THR 110 HA THR 110 0.740 4.111 -14.184 831 HB THR 110 HB THR 110 -2.147 5.001 -14.350 832 HG1 THR 110 HG1 THR 110 -2.073 4.186 -16.264 833 HG21 THR 110 HG21 THR 110 -0.973 6.896 -15.644 834 HG22 THR 110 HG22 THR 110 0.513 6.315 -14.893 835 HG23 THR 110 HG23 THR 110 -0.814 6.899 -13.888 836 H ILE 111 H ILE 111 -2.079 3.741 -12.065 837 HA ILE 111 HA ILE 111 -1.582 5.862 -10.312 838 HB ILE 111 HB ILE 111 -2.777 3.146 -9.709 839 HG12 ILE 111 HG12 ILE 111 -4.107 5.791 -10.377 840 HG13 ILE 111 HG13 ILE 111 -3.871 4.482 -11.536 841 HG21 ILE 111 HG21 ILE 111 -2.218 4.176 -7.626 842 HG22 ILE 111 HG22 ILE 111 -3.930 4.510 -7.881 843 HG23 ILE 111 HG23 ILE 111 -2.731 5.764 -8.193 844 HD11 ILE 111 HD11 ILE 111 -6.069 4.146 -10.718 845 HD12 ILE 111 HD12 ILE 111 -5.591 4.495 -9.055 846 HD13 ILE 111 HD13 ILE 111 -5.087 2.988 -9.820 847 H VAL 112 H VAL 112 -0.522 2.464 -10.067 848 HA VAL 112 HA VAL 112 1.185 3.073 -7.799 849 HB VAL 112 HB VAL 112 1.754 0.704 -7.859 850 HG11 VAL 112 HG11 VAL 112 -0.886 -0.020 -8.216 851 HG12 VAL 112 HG12 VAL 112 -1.008 1.707 -7.880 852 HG13 VAL 112 HG13 VAL 112 -0.209 0.638 -6.727 853 HG21 VAL 112 HG21 VAL 112 0.643 -0.713 -9.652 854 HG22 VAL 112 HG22 VAL 112 1.954 0.316 -10.228 855 HG23 VAL 112 HG23 VAL 112 0.277 0.786 -10.504 856 H GLY 113 H GLY 113 1.436 2.930 -11.231 857 HA2 GLY 113 HA2 GLY 113 4.254 2.450 -11.402 858 HA3 GLY 113 HA3 GLY 113 3.220 3.054 -12.692 859 H SER 114 H SER 114 4.523 4.170 -9.551 860 HA SER 114 HA SER 114 5.005 6.800 -10.820 861 HB2 SER 114 HB2 SER 114 4.488 6.183 -7.901 862 HB3 SER 114 HB3 SER 114 4.797 7.781 -8.577 863 HG SER 114 HG SER 114 2.781 7.855 -9.134 864 H VAL 115 H VAL 115 7.001 7.718 -10.627 865 HA VAL 115 HA VAL 115 9.223 6.019 -10.147 866 HB VAL 115 HB VAL 115 9.032 9.019 -10.473 867 HG11 VAL 115 HG11 VAL 115 11.144 9.012 -9.648 868 HG12 VAL 115 HG12 VAL 115 11.587 8.248 -11.174 869 HG13 VAL 115 HG13 VAL 115 11.269 7.255 -9.752 870 HG21 VAL 115 HG21 VAL 115 8.500 7.149 -12.327 871 HG22 VAL 115 HG22 VAL 115 10.257 7.172 -12.471 872 HG23 VAL 115 HG23 VAL 115 9.331 8.652 -12.730 873 H GLN 116 H GLN 116 7.710 8.603 -8.247 874 HA GLN 116 HA GLN 116 9.616 8.786 -6.206 875 HB2 GLN 116 HB2 GLN 116 7.699 10.350 -6.554 876 HB3 GLN 116 HB3 GLN 116 6.624 9.112 -5.901 877 HG2 GLN 116 HG2 GLN 116 7.889 9.105 -3.793 878 HG3 GLN 116 HG3 GLN 116 8.994 10.316 -4.441 879 HE21 GLN 116 HE21 GLN 116 7.686 11.061 -2.142 880 HE22 GLN 116 HE22 GLN 116 6.452 12.177 -2.483 881 H HIS 117 H HIS 117 6.773 6.660 -6.482 882 HA HIS 117 HA HIS 117 7.033 5.463 -3.932 883 HB2 HIS 117 HB2 HIS 117 5.036 5.364 -5.540 884 HB3 HIS 117 HB3 HIS 117 5.911 4.071 -6.361 885 HD1 HIS 117 HD1 HIS 117 6.044 4.529 -2.627 886 HD2 HIS 117 HD2 HIS 117 4.216 2.006 -5.396 887 HE1 HIS 117 HE1 HIS 117 5.013 2.642 -1.295 888 H ARG 118 H ARG 118 8.191 4.454 -7.143 889 HA ARG 118 HA ARG 118 9.429 2.058 -6.328 890 HB2 ARG 118 HB2 ARG 118 8.971 2.669 -8.691 891 HB3 ARG 118 HB3 ARG 118 10.239 3.892 -8.598 892 HG2 ARG 118 HG2 ARG 118 11.879 2.119 -8.021 893 HG3 ARG 118 HG3 ARG 118 10.608 0.909 -8.190 894 HD2 ARG 118 HD2 ARG 118 10.264 1.661 -10.545 895 HD3 ARG 118 HD3 ARG 118 11.627 2.760 -10.362 896 HE ARG 118 HE ARG 118 12.579 0.258 -9.644 897 HH11 ARG 118 HH11 ARG 118 11.091 1.750 -12.389 898 HH12 ARG 118 HH12 ARG 118 11.888 0.737 -13.545 899 HH21 ARG 118 HH21 ARG 118 13.632 -1.073 -11.156 900 HH22 ARG 118 HH22 ARG 118 13.328 -0.861 -12.848 901 H ASN 119 H ASN 119 10.651 5.378 -6.557 902 HA ASN 119 HA ASN 119 13.347 4.851 -5.963 903 HB2 ASN 119 HB2 ASN 119 11.663 7.299 -5.394 904 HB3 ASN 119 HB3 ASN 119 13.418 7.240 -5.251 905 HD21 ASN 119 HD21 ASN 119 12.162 9.002 -7.118 906 HD22 ASN 119 HD22 ASN 119 12.521 8.465 -8.688 907 H ASP 120 H ASP 120 10.543 5.322 -3.880 908 HA ASP 120 HA ASP 120 11.866 5.627 -1.425 909 HB2 ASP 120 HB2 ASP 120 9.186 4.387 -2.071 910 HB3 ASP 120 HB3 ASP 120 9.741 4.737 -0.435 911 H VAL 121 H VAL 121 10.946 2.717 -3.218 912 HA VAL 121 HA VAL 121 11.582 0.837 -1.205 913 HB VAL 121 HB VAL 121 11.570 0.603 -4.221 914 HG11 VAL 121 HG11 VAL 121 12.057 -1.414 -2.035 915 HG12 VAL 121 HG12 VAL 121 12.944 -1.185 -3.543 916 HG13 VAL 121 HG13 VAL 121 11.334 -1.905 -3.567 917 HG21 VAL 121 HG21 VAL 121 9.348 0.174 -4.022 918 HG22 VAL 121 HG22 VAL 121 9.488 0.937 -2.437 919 HG23 VAL 121 HG23 VAL 121 9.582 -0.819 -2.583 920 H LEU 122 H LEU 122 13.497 2.230 -3.845 921 HA LEU 122 HA LEU 122 15.851 0.727 -3.366 922 HB2 LEU 122 HB2 LEU 122 15.526 3.456 -4.637 923 HB3 LEU 122 HB3 LEU 122 16.967 2.445 -4.739 924 HG LEU 122 HG LEU 122 14.208 1.665 -5.733 925 HD11 LEU 122 HD11 LEU 122 16.294 3.246 -6.911 926 HD12 LEU 122 HD12 LEU 122 14.763 2.746 -7.627 927 HD13 LEU 122 HD13 LEU 122 16.186 1.716 -7.781 928 HD21 LEU 122 HD21 LEU 122 16.796 0.232 -5.383 929 HD22 LEU 122 HD22 LEU 122 15.932 -0.064 -6.891 930 HD23 LEU 122 HD23 LEU 122 15.149 -0.398 -5.346 931 H ASN 123 H ASN 123 14.579 3.686 -1.983 932 HA ASN 123 HA ASN 123 15.284 4.992 -0.232 933 HB2 ASN 123 HB2 ASN 123 16.911 2.530 0.449 934 HB3 ASN 123 HB3 ASN 123 16.627 3.895 1.525 935 HD21 ASN 123 HD21 ASN 123 15.653 0.873 1.374 936 HD22 ASN 123 HD22 ASN 123 13.998 1.019 1.722 937 H ARG 124 H ARG 124 16.537 5.429 -2.661 938 HA ARG 124 HA ARG 124 19.260 5.371 -2.875 939 HB2 ARG 124 HB2 ARG 124 17.417 7.673 -3.555 940 HB3 ARG 124 HB3 ARG 124 19.080 7.521 -4.122 941 HG2 ARG 124 HG2 ARG 124 18.498 5.344 -5.174 942 HG3 ARG 124 HG3 ARG 124 16.825 5.566 -4.662 943 HD2 ARG 124 HD2 ARG 124 16.985 6.314 -6.948 944 HD3 ARG 124 HD3 ARG 124 16.807 7.742 -5.933 945 HE ARG 124 HE ARG 124 19.490 7.533 -6.138 946 HH11 ARG 124 HH11 ARG 124 16.917 7.367 -8.444 947 HH12 ARG 124 HH12 ARG 124 17.859 8.008 -9.749 948 HH21 ARG 124 HH21 ARG 124 20.732 8.376 -7.844 949 HH22 ARG 124 HH22 ARG 124 20.019 8.580 -9.409 950 HHA HEB 125 HHA HEB 125 3.900 -1.361 6.716 951 HHB HEB 125 HHB HEB 125 2.028 2.209 1.838 952 HHC HEB 125 HHC HEB 125 5.149 -1.627 -2.140 953 HHD HEB 125 HHD HEB 125 6.965 -5.196 2.729 954 HMA1 HEB 125 HMA1 HEB 125 0.929 2.777 5.369 955 HMA2 HEB 125 HMA2 HEB 125 0.682 2.635 3.635 956 HMA3 HEB 125 HMA3 HEB 125 2.062 3.536 4.257 957 HAA1 HEB 125 HAA1 HEB 125 2.249 -0.071 7.387 958 HAA2 HEB 125 HAA2 HEB 125 1.336 1.356 6.965 959 HBA1 HEB 125 HBA1 HEB 125 3.164 2.795 7.355 960 HBA2 HEB 125 HBA2 HEB 125 4.327 1.472 7.287 961 HMB1 HEB 125 HMB1 HEB 125 1.092 2.274 -0.826 962 HMB2 HEB 125 HMB2 HEB 125 2.411 2.844 -1.848 963 HMB3 HEB 125 HMB3 HEB 125 2.358 3.294 -0.144 964 HAB2 HEB 125 HAB2 HEB 125 4.127 -0.171 -3.316 965 HBB1 HEB 125 HBB1 HEB 125 2.065 1.768 -3.841 966 HBB2 HEB 125 HBB2 HEB 125 1.491 0.559 -2.693 967 HBB3 HEB 125 HBB3 HEB 125 2.116 0.057 -4.263 968 HMC1 HEB 125 HMC1 HEB 125 7.345 -4.701 -2.399 969 HMC2 HEB 125 HMC2 HEB 125 7.153 -2.973 -2.701 970 HMC3 HEB 125 HMC3 HEB 125 5.768 -4.054 -2.854 971 HAC HEB 125 HAC HEB 125 8.552 -5.498 0.420 972 HBC1 HEB 125 HBC1 HEB 125 5.957 -6.815 -0.625 973 HBC2 HEB 125 HBC2 HEB 125 7.604 -7.633 -0.361 974 HMD1 HEB 125 HMD1 HEB 125 6.448 -5.893 6.394 975 HMD2 HEB 125 HMD2 HEB 125 7.860 -5.272 5.541 976 HMD3 HEB 125 HMD3 HEB 125 6.671 -6.254 4.687 977 HAD1 HEB 125 HAD1 HEB 125 5.422 -2.568 7.865 978 HAD2 HEB 125 HAD2 HEB 125 6.186 -4.144 7.776 979 HBD1 HEB 125 HBD1 HEB 125 4.206 -5.275 8.021 980 HBD2 HEB 125 HBD2 HEB 125 3.268 -4.026 7.205 Start of MODEL 8 1 H1 ALA 2 H1 ALA 2 -15.659 6.947 -5.280 2 H2 ALA 2 H2 ALA 2 -14.907 7.477 -6.708 3 H3 ALA 2 H3 ALA 2 -16.024 8.478 -5.911 4 HA ALA 2 HA ALA 2 -13.357 8.648 -5.637 5 HB1 ALA 2 HB1 ALA 2 -15.069 9.319 -3.280 6 HB2 ALA 2 HB2 ALA 2 -15.463 10.069 -4.826 7 HB3 ALA 2 HB3 ALA 2 -13.869 10.308 -4.112 8 H SER 3 H SER 3 -15.411 6.367 -4.035 9 HA SER 3 HA SER 3 -13.131 5.510 -2.353 10 HB2 SER 3 HB2 SER 3 -16.087 5.217 -1.773 11 HB3 SER 3 HB3 SER 3 -14.775 4.633 -0.753 12 HG SER 3 HG SER 3 -15.448 7.302 -1.427 13 H LEU 4 H LEU 4 -12.720 3.302 -2.192 14 HA LEU 4 HA LEU 4 -13.119 1.747 -4.485 15 HB2 LEU 4 HB2 LEU 4 -11.311 1.379 -2.819 16 HB3 LEU 4 HB3 LEU 4 -12.515 0.764 -1.686 17 HG LEU 4 HG LEU 4 -13.149 -0.974 -3.374 18 HD11 LEU 4 HD11 LEU 4 -12.523 -0.391 -5.492 19 HD12 LEU 4 HD12 LEU 4 -11.018 -1.197 -5.053 20 HD13 LEU 4 HD13 LEU 4 -11.146 0.557 -4.934 21 HD21 LEU 4 HD21 LEU 4 -10.269 -0.838 -2.442 22 HD22 LEU 4 HD22 LEU 4 -10.996 -2.289 -3.130 23 HD23 LEU 4 HD23 LEU 4 -11.621 -1.619 -1.623 24 H TYR 5 H TYR 5 -14.948 1.937 -1.476 25 HA TYR 5 HA TYR 5 -16.551 -0.343 -1.783 26 HB2 TYR 5 HB2 TYR 5 -17.248 2.315 -0.511 27 HB3 TYR 5 HB3 TYR 5 -18.135 0.809 -0.280 28 HD1 TYR 5 HD1 TYR 5 -17.027 -1.139 0.825 29 HD2 TYR 5 HD2 TYR 5 -15.174 2.728 0.622 30 HE1 TYR 5 HE1 TYR 5 -15.447 -1.804 2.618 31 HE2 TYR 5 HE2 TYR 5 -13.594 2.066 2.416 32 HH TYR 5 HH TYR 5 -13.468 0.452 4.248 33 H GLU 6 H GLU 6 -16.953 2.953 -3.023 34 HA GLU 6 HA GLU 6 -19.545 2.569 -4.108 35 HB2 GLU 6 HB2 GLU 6 -17.353 4.519 -4.843 36 HB3 GLU 6 HB3 GLU 6 -19.004 4.596 -5.460 37 HG2 GLU 6 HG2 GLU 6 -19.849 4.751 -3.133 38 HG3 GLU 6 HG3 GLU 6 -18.188 4.743 -2.545 39 H LYS 7 H LYS 7 -16.292 2.099 -5.419 40 HA LYS 7 HA LYS 7 -17.052 1.673 -8.110 41 HB2 LYS 7 HB2 LYS 7 -14.684 0.491 -6.643 42 HB3 LYS 7 HB3 LYS 7 -14.849 0.684 -8.387 43 HG2 LYS 7 HG2 LYS 7 -14.882 2.983 -6.409 44 HG3 LYS 7 HG3 LYS 7 -13.458 2.476 -7.317 45 HD2 LYS 7 HD2 LYS 7 -14.908 2.781 -9.426 46 HD3 LYS 7 HD3 LYS 7 -16.027 3.655 -8.380 47 HE2 LYS 7 HE2 LYS 7 -14.358 5.285 -7.809 48 HE3 LYS 7 HE3 LYS 7 -13.087 4.340 -8.585 49 HZ1 LYS 7 HZ1 LYS 7 -13.949 6.237 -9.924 50 HZ2 LYS 7 HZ2 LYS 7 -15.436 5.423 -10.035 51 HZ3 LYS 7 HZ3 LYS 7 -14.035 4.733 -10.704 52 H LEU 8 H LEU 8 -16.277 -0.696 -5.548 53 HA LEU 8 HA LEU 8 -17.113 -2.930 -7.125 54 HB2 LEU 8 HB2 LEU 8 -16.716 -2.729 -4.130 55 HB3 LEU 8 HB3 LEU 8 -16.830 -4.222 -5.063 56 HG LEU 8 HG LEU 8 -14.691 -2.089 -5.360 57 HD11 LEU 8 HD11 LEU 8 -14.886 -4.097 -3.481 58 HD12 LEU 8 HD12 LEU 8 -13.375 -3.367 -4.026 59 HD13 LEU 8 HD13 LEU 8 -13.944 -4.868 -4.757 60 HD21 LEU 8 HD21 LEU 8 -13.728 -4.091 -6.804 61 HD22 LEU 8 HD22 LEU 8 -14.857 -2.941 -7.521 62 HD23 LEU 8 HD23 LEU 8 -15.432 -4.513 -6.966 63 H GLY 9 H GLY 9 -18.641 -0.931 -4.651 64 HA2 GLY 9 HA2 GLY 9 -20.937 -0.533 -4.419 65 HA3 GLY 9 HA3 GLY 9 -21.258 -1.865 -5.525 66 H GLY 10 H GLY 10 -19.011 -2.782 -3.193 67 HA2 GLY 10 HA2 GLY 10 -20.807 -3.451 -1.053 68 HA3 GLY 10 HA3 GLY 10 -20.448 -4.838 -2.077 69 H ALA 11 H ALA 11 -19.589 -3.463 0.720 70 HA ALA 11 HA ALA 11 -16.758 -3.398 0.658 71 HB1 ALA 11 HB1 ALA 11 -18.610 -3.948 2.989 72 HB2 ALA 11 HB2 ALA 11 -18.079 -2.353 2.454 73 HB3 ALA 11 HB3 ALA 11 -16.909 -3.500 3.108 74 H ALA 12 H ALA 12 -19.084 -5.983 1.225 75 HA ALA 12 HA ALA 12 -17.298 -7.921 2.228 76 HB1 ALA 12 HB1 ALA 12 -19.995 -7.942 0.980 77 HB2 ALA 12 HB2 ALA 12 -19.450 -8.645 2.503 78 HB3 ALA 12 HB3 ALA 12 -19.103 -9.464 0.980 79 H ALA 13 H ALA 13 -18.071 -6.883 -1.034 80 HA ALA 13 HA ALA 13 -16.879 -9.027 -2.438 81 HB1 ALA 13 HB1 ALA 13 -18.363 -7.493 -3.577 82 HB2 ALA 13 HB2 ALA 13 -16.773 -7.402 -4.334 83 HB3 ALA 13 HB3 ALA 13 -17.295 -6.135 -3.223 84 H VAL 14 H VAL 14 -15.558 -6.168 -0.912 85 HA VAL 14 HA VAL 14 -13.070 -6.034 -2.206 86 HB VAL 14 HB VAL 14 -13.791 -5.365 0.657 87 HG11 VAL 14 HG11 VAL 14 -11.389 -5.599 0.465 88 HG12 VAL 14 HG12 VAL 14 -11.769 -3.877 0.485 89 HG13 VAL 14 HG13 VAL 14 -11.375 -4.675 -1.037 90 HG21 VAL 14 HG21 VAL 14 -15.043 -4.184 -1.204 91 HG22 VAL 14 HG22 VAL 14 -13.490 -3.552 -1.752 92 HG23 VAL 14 HG23 VAL 14 -14.105 -3.118 -0.158 93 H ASP 15 H ASP 15 -14.073 -7.854 0.681 94 HA ASP 15 HA ASP 15 -11.551 -8.953 1.290 95 HB2 ASP 15 HB2 ASP 15 -14.342 -9.983 1.829 96 HB3 ASP 15 HB3 ASP 15 -12.880 -10.692 2.512 97 H LEU 16 H LEU 16 -14.177 -10.106 -0.794 98 HA LEU 16 HA LEU 16 -13.073 -12.639 -1.381 99 HB2 LEU 16 HB2 LEU 16 -14.863 -10.920 -3.116 100 HB3 LEU 16 HB3 LEU 16 -14.612 -12.658 -3.280 101 HG LEU 16 HG LEU 16 -15.820 -11.250 -0.880 102 HD11 LEU 16 HD11 LEU 16 -17.884 -11.881 -1.662 103 HD12 LEU 16 HD12 LEU 16 -17.260 -13.335 -2.442 104 HD13 LEU 16 HD13 LEU 16 -17.063 -11.763 -3.218 105 HD21 LEU 16 HD21 LEU 16 -16.336 -13.800 -0.387 106 HD22 LEU 16 HD22 LEU 16 -14.784 -13.105 0.076 107 HD23 LEU 16 HD23 LEU 16 -14.915 -14.065 -1.397 108 H ALA 17 H ALA 17 -12.715 -9.476 -2.936 109 HA ALA 17 HA ALA 17 -11.161 -10.415 -5.132 110 HB1 ALA 17 HB1 ALA 17 -11.108 -7.631 -3.961 111 HB2 ALA 17 HB2 ALA 17 -12.413 -8.212 -4.996 112 HB3 ALA 17 HB3 ALA 17 -10.767 -8.112 -5.623 113 H VAL 18 H VAL 18 -10.370 -9.116 -1.942 114 HA VAL 18 HA VAL 18 -7.575 -8.915 -2.313 115 HB VAL 18 HB VAL 18 -9.232 -9.310 0.185 116 HG11 VAL 18 HG11 VAL 18 -6.299 -9.159 -0.274 117 HG12 VAL 18 HG12 VAL 18 -7.196 -9.916 1.044 118 HG13 VAL 18 HG13 VAL 18 -6.933 -8.172 1.042 119 HG21 VAL 18 HG21 VAL 18 -9.393 -7.028 0.262 120 HG22 VAL 18 HG22 VAL 18 -9.134 -7.157 -1.477 121 HG23 VAL 18 HG23 VAL 18 -7.779 -6.792 -0.409 122 H GLU 19 H GLU 19 -9.644 -11.554 -1.174 123 HA GLU 19 HA GLU 19 -7.644 -13.311 -0.304 124 HB2 GLU 19 HB2 GLU 19 -10.084 -13.629 0.070 125 HB3 GLU 19 HB3 GLU 19 -10.260 -14.050 -1.634 126 HG2 GLU 19 HG2 GLU 19 -8.614 -15.895 -1.311 127 HG3 GLU 19 HG3 GLU 19 -8.558 -15.508 0.408 128 H LYS 20 H LYS 20 -8.965 -12.745 -3.541 129 HA LYS 20 HA LYS 20 -7.716 -14.906 -4.849 130 HB2 LYS 20 HB2 LYS 20 -8.487 -12.171 -5.897 131 HB3 LYS 20 HB3 LYS 20 -8.010 -13.536 -6.909 132 HG2 LYS 20 HG2 LYS 20 -9.870 -14.872 -5.914 133 HG3 LYS 20 HG3 LYS 20 -10.383 -13.437 -5.025 134 HD2 LYS 20 HD2 LYS 20 -10.624 -12.230 -7.201 135 HD3 LYS 20 HD3 LYS 20 -10.241 -13.733 -8.039 136 HE2 LYS 20 HE2 LYS 20 -12.675 -13.043 -6.417 137 HE3 LYS 20 HE3 LYS 20 -12.578 -13.780 -8.016 138 HZ1 LYS 20 HZ1 LYS 20 -13.193 -15.382 -6.295 139 HZ2 LYS 20 HZ2 LYS 20 -11.732 -15.078 -5.482 140 HZ3 LYS 20 HZ3 LYS 20 -11.717 -15.787 -7.026 141 H PHE 21 H PHE 21 -6.624 -11.589 -4.226 142 HA PHE 21 HA PHE 21 -4.180 -11.781 -5.651 143 HB2 PHE 21 HB2 PHE 21 -5.214 -9.635 -4.965 144 HB3 PHE 21 HB3 PHE 21 -4.844 -10.016 -3.283 145 HD1 PHE 21 HD1 PHE 21 -3.369 -9.279 -6.604 146 HD2 PHE 21 HD2 PHE 21 -2.611 -9.831 -2.413 147 HE1 PHE 21 HE1 PHE 21 -1.075 -8.386 -6.901 148 HE2 PHE 21 HE2 PHE 21 -0.317 -8.937 -2.709 149 HZ PHE 21 HZ PHE 21 0.451 -8.215 -4.954 150 H TYR 22 H TYR 22 -5.020 -12.305 -2.243 151 HA TYR 22 HA TYR 22 -2.444 -12.745 -1.246 152 HB2 TYR 22 HB2 TYR 22 -4.467 -12.468 0.161 153 HB3 TYR 22 HB3 TYR 22 -5.013 -14.067 -0.343 154 HD1 TYR 22 HD1 TYR 22 -2.404 -12.216 1.523 155 HD2 TYR 22 HD2 TYR 22 -3.997 -16.077 0.519 156 HE1 TYR 22 HE1 TYR 22 -0.997 -13.254 3.283 157 HE2 TYR 22 HE2 TYR 22 -2.590 -17.115 2.278 158 HH TYR 22 HH TYR 22 -0.557 -16.644 3.519 159 H GLY 23 H GLY 23 -4.740 -15.002 -2.744 160 HA2 GLY 23 HA2 GLY 23 -3.368 -17.392 -2.274 161 HA3 GLY 23 HA3 GLY 23 -4.427 -17.096 -3.650 162 H LYS 24 H LYS 24 -3.071 -15.098 -4.983 163 HA LYS 24 HA LYS 24 -1.127 -16.549 -6.430 164 HB2 LYS 24 HB2 LYS 24 -1.698 -13.578 -6.334 165 HB3 LYS 24 HB3 LYS 24 -0.638 -14.354 -7.512 166 HG2 LYS 24 HG2 LYS 24 -2.550 -15.808 -8.207 167 HG3 LYS 24 HG3 LYS 24 -3.594 -14.902 -7.111 168 HD2 LYS 24 HD2 LYS 24 -2.999 -12.811 -8.339 169 HD3 LYS 24 HD3 LYS 24 -2.071 -13.782 -9.482 170 HE2 LYS 24 HE2 LYS 24 -4.396 -15.141 -9.559 171 HE3 LYS 24 HE3 LYS 24 -5.019 -13.540 -9.160 172 HZ1 LYS 24 HZ1 LYS 24 -3.436 -12.794 -11.048 173 HZ2 LYS 24 HZ2 LYS 24 -4.945 -13.472 -11.440 174 HZ3 LYS 24 HZ3 LYS 24 -3.534 -14.413 -11.543 175 H VAL 25 H VAL 25 -0.887 -14.181 -3.827 176 HA VAL 25 HA VAL 25 1.900 -13.759 -3.928 177 HB VAL 25 HB VAL 25 -0.068 -13.592 -1.638 178 HG11 VAL 25 HG11 VAL 25 1.931 -12.026 -0.822 179 HG12 VAL 25 HG12 VAL 25 2.886 -13.155 -1.782 180 HG13 VAL 25 HG13 VAL 25 1.905 -13.748 -0.442 181 HG21 VAL 25 HG21 VAL 25 1.167 -11.136 -2.572 182 HG22 VAL 25 HG22 VAL 25 -0.545 -11.547 -2.464 183 HG23 VAL 25 HG23 VAL 25 0.377 -11.983 -3.903 184 H LEU 26 H LEU 26 -0.068 -16.131 -2.176 185 HA LEU 26 HA LEU 26 1.988 -17.310 -0.667 186 HB2 LEU 26 HB2 LEU 26 -0.447 -17.711 -0.317 187 HB3 LEU 26 HB3 LEU 26 -0.469 -18.669 -1.797 188 HG LEU 26 HG LEU 26 1.303 -20.142 -0.806 189 HD11 LEU 26 HD11 LEU 26 2.422 -19.160 0.917 190 HD12 LEU 26 HD12 LEU 26 1.093 -19.775 1.898 191 HD13 LEU 26 HD13 LEU 26 1.068 -18.107 1.326 192 HD21 LEU 26 HD21 LEU 26 -0.372 -20.933 1.134 193 HD22 LEU 26 HD22 LEU 26 -0.745 -21.174 -0.573 194 HD23 LEU 26 HD23 LEU 26 -1.449 -19.813 0.300 195 H ALA 27 H ALA 27 0.876 -17.889 -3.965 196 HA ALA 27 HA ALA 27 2.347 -20.243 -4.466 197 HB1 ALA 27 HB1 ALA 27 1.997 -18.369 -6.724 198 HB2 ALA 27 HB2 ALA 27 0.519 -18.810 -5.869 199 HB3 ALA 27 HB3 ALA 27 1.534 -20.065 -6.579 200 H ASP 28 H ASP 28 3.203 -16.822 -4.708 201 HA ASP 28 HA ASP 28 5.802 -17.429 -5.862 202 HB2 ASP 28 HB2 ASP 28 4.560 -15.384 -6.502 203 HB3 ASP 28 HB3 ASP 28 4.694 -14.805 -4.842 204 H GLU 29 H GLU 29 7.136 -18.455 -4.481 205 HA GLU 29 HA GLU 29 7.230 -17.919 -1.669 206 HB2 GLU 29 HB2 GLU 29 9.108 -19.443 -3.486 207 HB3 GLU 29 HB3 GLU 29 9.238 -19.397 -1.727 208 HG2 GLU 29 HG2 GLU 29 6.930 -20.304 -1.556 209 HG3 GLU 29 HG3 GLU 29 6.863 -20.414 -3.314 210 H ARG 30 H ARG 30 8.875 -16.667 -4.472 211 HA ARG 30 HA ARG 30 11.228 -15.684 -3.379 212 HB2 ARG 30 HB2 ARG 30 9.464 -14.451 -5.506 213 HB3 ARG 30 HB3 ARG 30 11.126 -13.962 -5.172 214 HG2 ARG 30 HG2 ARG 30 11.859 -16.312 -5.609 215 HG3 ARG 30 HG3 ARG 30 10.202 -16.708 -6.067 216 HD2 ARG 30 HD2 ARG 30 11.989 -14.658 -7.403 217 HD3 ARG 30 HD3 ARG 30 11.505 -16.214 -8.073 218 HE ARG 30 HE ARG 30 9.912 -13.805 -7.989 219 HH11 ARG 30 HH11 ARG 30 9.916 -17.264 -8.079 220 HH12 ARG 30 HH12 ARG 30 8.349 -17.385 -8.805 221 HH21 ARG 30 HH21 ARG 30 7.857 -13.955 -8.942 222 HH22 ARG 30 HH22 ARG 30 7.183 -15.511 -9.295 223 H VAL 31 H VAL 31 7.994 -14.192 -3.360 224 HA VAL 31 HA VAL 31 8.957 -11.837 -1.986 225 HB VAL 31 HB VAL 31 6.560 -11.224 -1.866 226 HG11 VAL 31 HG11 VAL 31 7.640 -12.224 -4.514 227 HG12 VAL 31 HG12 VAL 31 7.743 -10.588 -3.864 228 HG13 VAL 31 HG13 VAL 31 6.185 -11.236 -4.378 229 HG21 VAL 31 HG21 VAL 31 5.775 -13.618 -1.612 230 HG22 VAL 31 HG22 VAL 31 6.095 -13.833 -3.332 231 HG23 VAL 31 HG23 VAL 31 4.874 -12.679 -2.802 232 H ASN 32 H ASN 32 7.524 -14.899 -1.129 233 HA ASN 32 HA ASN 32 6.604 -14.338 1.452 234 HB2 ASN 32 HB2 ASN 32 7.802 -16.878 0.330 235 HB3 ASN 32 HB3 ASN 32 6.965 -16.770 1.878 236 HD21 ASN 32 HD21 ASN 32 5.935 -18.437 -0.181 237 HD22 ASN 32 HD22 ASN 32 4.483 -17.765 -0.749 238 H ARG 33 H ARG 33 9.852 -14.882 0.252 239 HA ARG 33 HA ARG 33 11.206 -15.499 2.597 240 HB2 ARG 33 HB2 ARG 33 12.108 -13.797 0.264 241 HB3 ARG 33 HB3 ARG 33 13.179 -14.431 1.514 242 HG2 ARG 33 HG2 ARG 33 12.420 -16.738 0.941 243 HG3 ARG 33 HG3 ARG 33 11.464 -16.063 -0.378 244 HD2 ARG 33 HD2 ARG 33 14.471 -15.848 -0.064 245 HD3 ARG 33 HD3 ARG 33 13.619 -16.857 -1.230 246 HE ARG 33 HE ARG 33 12.728 -14.247 -1.634 247 HH11 ARG 33 HH11 ARG 33 15.684 -16.044 -1.742 248 HH12 ARG 33 HH12 ARG 33 16.396 -15.064 -2.978 249 HH21 ARG 33 HH21 ARG 33 13.655 -12.957 -3.257 250 HH22 ARG 33 HH22 ARG 33 15.248 -13.316 -3.837 251 H PHE 34 H PHE 34 10.179 -12.343 1.368 252 HA PHE 34 HA PHE 34 11.495 -10.810 3.383 253 HB2 PHE 34 HB2 PHE 34 9.204 -10.167 1.520 254 HB3 PHE 34 HB3 PHE 34 9.942 -8.990 2.605 255 HD1 PHE 34 HD1 PHE 34 12.272 -8.262 2.289 256 HD2 PHE 34 HD2 PHE 34 10.396 -11.014 -0.420 257 HE1 PHE 34 HE1 PHE 34 14.090 -7.883 0.645 258 HE2 PHE 34 HE2 PHE 34 12.213 -10.636 -2.065 259 HZ PHE 34 HZ PHE 34 14.059 -9.070 -1.532 260 H PHE 35 H PHE 35 8.392 -12.416 3.188 261 HA PHE 35 HA PHE 35 7.381 -11.064 5.561 262 HB2 PHE 35 HB2 PHE 35 6.219 -13.240 3.816 263 HB3 PHE 35 HB3 PHE 35 5.396 -12.544 5.212 264 HD1 PHE 35 HD1 PHE 35 4.906 -10.067 5.253 265 HD2 PHE 35 HD2 PHE 35 6.294 -12.090 1.728 266 HE1 PHE 35 HE1 PHE 35 4.140 -8.164 3.860 267 HE2 PHE 35 HE2 PHE 35 5.531 -10.186 0.334 268 HZ PHE 35 HZ PHE 35 4.454 -8.224 1.400 269 H VAL 36 H VAL 36 9.694 -13.233 5.335 270 HA VAL 36 HA VAL 36 8.864 -15.430 6.912 271 HB VAL 36 HB VAL 36 11.265 -15.792 7.316 272 HG11 VAL 36 HG11 VAL 36 11.928 -15.496 4.764 273 HG12 VAL 36 HG12 VAL 36 10.214 -15.111 4.600 274 HG13 VAL 36 HG13 VAL 36 10.709 -16.675 5.248 275 HG21 VAL 36 HG21 VAL 36 12.656 -13.949 5.911 276 HG22 VAL 36 HG22 VAL 36 12.363 -13.799 7.644 277 HG23 VAL 36 HG23 VAL 36 11.341 -12.932 6.498 278 H ASN 37 H ASN 37 10.020 -12.211 7.725 279 HA ASN 37 HA ASN 37 10.149 -12.821 10.570 280 HB2 ASN 37 HB2 ASN 37 10.501 -10.217 9.068 281 HB3 ASN 37 HB3 ASN 37 10.789 -10.445 10.792 282 HD21 ASN 37 HD21 ASN 37 12.877 -9.644 8.952 283 HD22 ASN 37 HD22 ASN 37 14.016 -10.900 8.891 284 H THR 38 H THR 38 7.669 -12.423 8.537 285 HA THR 38 HA THR 38 6.016 -11.025 10.555 286 HB THR 38 HB THR 38 5.623 -10.984 7.553 287 HG1 THR 38 HG1 THR 38 6.044 -8.595 8.491 288 HG21 THR 38 HG21 THR 38 4.001 -9.148 8.197 289 HG22 THR 38 HG22 THR 38 4.202 -9.660 9.873 290 HG23 THR 38 HG23 THR 38 3.517 -10.772 8.686 291 H ASP 39 H ASP 39 4.077 -11.968 11.091 292 HA ASP 39 HA ASP 39 3.765 -14.753 10.446 293 HB2 ASP 39 HB2 ASP 39 1.845 -14.682 11.936 294 HB3 ASP 39 HB3 ASP 39 3.193 -13.821 12.674 295 H MET 40 H MET 40 1.763 -15.675 9.592 296 HA MET 40 HA MET 40 1.092 -14.619 7.075 297 HB2 MET 40 HB2 MET 40 -0.310 -16.688 8.777 298 HB3 MET 40 HB3 MET 40 -0.707 -16.353 7.091 299 HG2 MET 40 HG2 MET 40 1.688 -16.836 6.499 300 HG3 MET 40 HG3 MET 40 1.949 -17.333 8.170 301 HE1 MET 40 HE1 MET 40 -1.280 -18.072 5.699 302 HE2 MET 40 HE2 MET 40 -0.391 -19.326 4.838 303 HE3 MET 40 HE3 MET 40 0.272 -17.697 4.936 304 H ALA 41 H ALA 41 -0.522 -14.350 10.211 305 HA ALA 41 HA ALA 41 -2.965 -13.285 9.284 306 HB1 ALA 41 HB1 ALA 41 -2.296 -14.129 11.649 307 HB2 ALA 41 HB2 ALA 41 -3.436 -12.789 11.519 308 HB3 ALA 41 HB3 ALA 41 -1.745 -12.474 11.907 309 H LYS 42 H LYS 42 -0.161 -11.556 10.679 310 HA LYS 42 HA LYS 42 -1.121 -8.966 10.138 311 HB2 LYS 42 HB2 LYS 42 0.785 -9.569 11.680 312 HB3 LYS 42 HB3 LYS 42 1.786 -9.786 10.244 313 HG2 LYS 42 HG2 LYS 42 1.313 -7.458 9.563 314 HG3 LYS 42 HG3 LYS 42 0.336 -7.238 11.016 315 HD2 LYS 42 HD2 LYS 42 2.376 -7.867 12.372 316 HD3 LYS 42 HD3 LYS 42 3.308 -7.807 10.876 317 HE2 LYS 42 HE2 LYS 42 2.813 -5.474 10.566 318 HE3 LYS 42 HE3 LYS 42 1.632 -5.493 11.876 319 HZ1 LYS 42 HZ1 LYS 42 3.286 -5.697 13.471 320 HZ2 LYS 42 HZ2 LYS 42 3.956 -4.596 12.365 321 HZ3 LYS 42 HZ3 LYS 42 4.451 -6.220 12.356 322 H GLN 43 H GLN 43 0.689 -11.262 8.196 323 HA GLN 43 HA GLN 43 1.600 -9.622 6.142 324 HB2 GLN 43 HB2 GLN 43 2.151 -12.035 6.417 325 HB3 GLN 43 HB3 GLN 43 0.528 -12.435 5.852 326 HG2 GLN 43 HG2 GLN 43 0.995 -11.199 3.741 327 HG3 GLN 43 HG3 GLN 43 2.643 -10.920 4.299 328 HE21 GLN 43 HE21 GLN 43 1.966 -13.872 5.562 329 HE22 GLN 43 HE22 GLN 43 2.485 -14.869 4.290 330 H LYS 44 H LYS 44 -1.586 -11.132 6.569 331 HA LYS 44 HA LYS 44 -2.677 -10.453 4.073 332 HB2 LYS 44 HB2 LYS 44 -4.019 -10.765 6.767 333 HB3 LYS 44 HB3 LYS 44 -4.883 -10.635 5.235 334 HG2 LYS 44 HG2 LYS 44 -3.624 -12.625 4.402 335 HG3 LYS 44 HG3 LYS 44 -2.889 -12.787 5.997 336 HD2 LYS 44 HD2 LYS 44 -5.174 -12.978 6.988 337 HD3 LYS 44 HD3 LYS 44 -5.848 -12.942 5.358 338 HE2 LYS 44 HE2 LYS 44 -5.681 -15.249 5.860 339 HE3 LYS 44 HE3 LYS 44 -4.264 -14.920 4.863 340 HZ1 LYS 44 HZ1 LYS 44 -3.616 -16.185 6.777 341 HZ2 LYS 44 HZ2 LYS 44 -4.349 -15.069 7.827 342 HZ3 LYS 44 HZ3 LYS 44 -2.983 -14.618 6.924 343 H GLN 45 H GLN 45 -2.371 -8.610 7.061 344 HA GLN 45 HA GLN 45 -4.049 -6.454 6.423 345 HB2 GLN 45 HB2 GLN 45 -3.018 -6.896 8.662 346 HB3 GLN 45 HB3 GLN 45 -1.480 -6.326 8.014 347 HG2 GLN 45 HG2 GLN 45 -2.581 -4.162 7.421 348 HG3 GLN 45 HG3 GLN 45 -4.052 -4.734 8.207 349 HE21 GLN 45 HE21 GLN 45 -4.232 -4.139 10.369 350 HE22 GLN 45 HE22 GLN 45 -2.926 -3.759 11.384 351 H HIS 46 H HIS 46 -0.640 -7.046 5.652 352 HA HIS 46 HA HIS 46 -0.047 -4.521 4.562 353 HB2 HIS 46 HB2 HIS 46 1.657 -6.238 5.110 354 HB3 HIS 46 HB3 HIS 46 1.095 -7.201 3.742 355 HD1 HIS 46 HD1 HIS 46 1.815 -6.477 1.403 356 HD2 HIS 46 HD2 HIS 46 2.940 -3.752 4.350 357 HE1 HIS 46 HE1 HIS 46 3.371 -4.818 0.288 358 H GLN 47 H GLN 47 -1.244 -7.492 3.004 359 HA GLN 47 HA GLN 47 -1.295 -6.494 0.370 360 HB2 GLN 47 HB2 GLN 47 -2.886 -8.660 1.744 361 HB3 GLN 47 HB3 GLN 47 -3.067 -8.293 0.029 362 HG2 GLN 47 HG2 GLN 47 -1.355 -10.139 0.794 363 HG3 GLN 47 HG3 GLN 47 -0.918 -9.020 -0.494 364 HE21 GLN 47 HE21 GLN 47 0.076 -10.238 2.537 365 HE22 GLN 47 HE22 GLN 47 1.268 -9.077 2.874 366 H LYS 48 H LYS 48 -3.659 -6.326 2.993 367 HA LYS 48 HA LYS 48 -5.838 -5.350 1.507 368 HB2 LYS 48 HB2 LYS 48 -5.957 -6.140 3.871 369 HB3 LYS 48 HB3 LYS 48 -5.124 -4.668 4.369 370 HG2 LYS 48 HG2 LYS 48 -6.942 -3.318 3.346 371 HG3 LYS 48 HG3 LYS 48 -7.789 -4.807 2.929 372 HD2 LYS 48 HD2 LYS 48 -7.786 -5.419 5.364 373 HD3 LYS 48 HD3 LYS 48 -7.106 -3.830 5.715 374 HE2 LYS 48 HE2 LYS 48 -9.527 -3.743 5.999 375 HE3 LYS 48 HE3 LYS 48 -9.074 -2.782 4.592 376 HZ1 LYS 48 HZ1 LYS 48 -9.464 -5.408 3.741 377 HZ2 LYS 48 HZ2 LYS 48 -10.399 -4.038 3.369 378 HZ3 LYS 48 HZ3 LYS 48 -10.792 -4.999 4.714 379 H ASP 49 H ASP 49 -3.276 -3.610 3.265 380 HA ASP 49 HA ASP 49 -4.166 -1.009 2.543 381 HB2 ASP 49 HB2 ASP 49 -1.452 -2.022 3.415 382 HB3 ASP 49 HB3 ASP 49 -1.861 -0.318 3.228 383 H PHE 50 H PHE 50 -1.877 -3.288 1.121 384 HA PHE 50 HA PHE 50 -0.760 -1.604 -0.833 385 HB2 PHE 50 HB2 PHE 50 0.124 -3.842 -0.209 386 HB3 PHE 50 HB3 PHE 50 -1.255 -4.584 -1.019 387 HD1 PHE 50 HD1 PHE 50 1.851 -2.647 -1.496 388 HD2 PHE 50 HD2 PHE 50 -1.446 -4.596 -3.440 389 HE1 PHE 50 HE1 PHE 50 3.039 -2.492 -3.668 390 HE2 PHE 50 HE2 PHE 50 -0.258 -4.441 -5.611 391 HZ PHE 50 HZ PHE 50 1.985 -3.389 -5.726 392 H MET 51 H MET 51 -3.536 -3.832 -1.026 393 HA MET 51 HA MET 51 -4.173 -3.301 -3.725 394 HB2 MET 51 HB2 MET 51 -5.025 -5.240 -2.401 395 HB3 MET 51 HB3 MET 51 -6.073 -4.127 -1.520 396 HG2 MET 51 HG2 MET 51 -7.102 -3.433 -3.676 397 HG3 MET 51 HG3 MET 51 -6.105 -4.623 -4.510 398 HE1 MET 51 HE1 MET 51 -9.333 -6.500 -4.859 399 HE2 MET 51 HE2 MET 51 -7.974 -5.649 -5.590 400 HE3 MET 51 HE3 MET 51 -9.282 -4.732 -4.847 401 H THR 52 H THR 52 -5.239 -1.801 -0.700 402 HA THR 52 HA THR 52 -7.228 -0.126 -1.787 403 HB THR 52 HB THR 52 -5.467 0.425 0.612 404 HG1 THR 52 HG1 THR 52 -7.921 -0.975 0.364 405 HG21 THR 52 HG21 THR 52 -8.235 1.255 0.764 406 HG22 THR 52 HG22 THR 52 -7.452 1.969 -0.646 407 HG23 THR 52 HG23 THR 52 -6.773 2.221 0.963 408 H TYR 53 H TYR 53 -3.748 0.312 -1.359 409 HA TYR 53 HA TYR 53 -3.573 3.028 -2.038 410 HB2 TYR 53 HB2 TYR 53 -1.718 1.694 -1.062 411 HB3 TYR 53 HB3 TYR 53 -1.539 0.860 -2.607 412 HD1 TYR 53 HD1 TYR 53 -1.265 4.134 -0.892 413 HD2 TYR 53 HD2 TYR 53 -0.516 1.934 -4.504 414 HE1 TYR 53 HE1 TYR 53 0.144 5.994 -1.732 415 HE2 TYR 53 HE2 TYR 53 0.892 3.794 -5.346 416 HH TYR 53 HH TYR 53 1.048 6.869 -3.700 417 H ALA 54 H ALA 54 -3.706 0.135 -4.051 418 HA ALA 54 HA ALA 54 -2.978 1.240 -6.512 419 HB1 ALA 54 HB1 ALA 54 -3.654 -1.229 -5.741 420 HB2 ALA 54 HB2 ALA 54 -3.710 -0.728 -7.431 421 HB3 ALA 54 HB3 ALA 54 -5.187 -0.752 -6.469 422 H PHE 55 H PHE 55 -5.966 1.467 -4.708 423 HA PHE 55 HA PHE 55 -7.359 2.707 -6.961 424 HB2 PHE 55 HB2 PHE 55 -8.242 1.989 -4.160 425 HB3 PHE 55 HB3 PHE 55 -9.274 2.808 -5.333 426 HD1 PHE 55 HD1 PHE 55 -9.903 1.680 -7.459 427 HD2 PHE 55 HD2 PHE 55 -7.727 -0.357 -4.366 428 HE1 PHE 55 HE1 PHE 55 -10.458 -0.501 -8.504 429 HE2 PHE 55 HE2 PHE 55 -8.284 -2.536 -5.412 430 HZ PHE 55 HZ PHE 55 -9.648 -2.608 -7.480 431 H GLY 56 H GLY 56 -5.087 3.783 -4.978 432 HA2 GLY 56 HA2 GLY 56 -4.430 6.027 -4.735 433 HA3 GLY 56 HA3 GLY 56 -6.080 6.527 -5.090 434 H GLY 57 H GLY 57 -5.713 3.993 -2.801 435 HA2 GLY 57 HA2 GLY 57 -7.070 5.302 -0.736 436 HA3 GLY 57 HA3 GLY 57 -6.068 3.869 -0.530 437 H THR 58 H THR 58 -5.842 7.401 -0.891 438 HA THR 58 HA THR 58 -3.349 7.356 0.688 439 HB THR 58 HB THR 58 -2.910 9.569 -0.224 440 HG1 THR 58 HG1 THR 58 -4.758 10.570 -0.545 441 HG21 THR 58 HG21 THR 58 -3.693 8.435 -2.767 442 HG22 THR 58 HG22 THR 58 -3.045 7.183 -1.708 443 HG23 THR 58 HG23 THR 58 -2.078 8.611 -2.080 444 H ASP 59 H ASP 59 -6.312 7.280 1.538 445 HA ASP 59 HA ASP 59 -7.075 9.662 2.756 446 HB2 ASP 59 HB2 ASP 59 -7.536 6.801 3.614 447 HB3 ASP 59 HB3 ASP 59 -8.340 8.186 4.350 448 H ARG 60 H ARG 60 -4.884 7.136 3.931 449 HA ARG 60 HA ARG 60 -3.834 9.039 5.894 450 HB2 ARG 60 HB2 ARG 60 -4.902 6.302 6.620 451 HB3 ARG 60 HB3 ARG 60 -3.919 7.304 7.688 452 HG2 ARG 60 HG2 ARG 60 -5.621 9.121 7.487 453 HG3 ARG 60 HG3 ARG 60 -6.626 8.030 6.530 454 HD2 ARG 60 HD2 ARG 60 -5.714 7.574 9.385 455 HD3 ARG 60 HD3 ARG 60 -7.347 7.991 8.870 456 HE ARG 60 HE ARG 60 -6.064 5.387 8.639 457 HH11 ARG 60 HH11 ARG 60 -8.607 7.522 7.667 458 HH12 ARG 60 HH12 ARG 60 -9.662 6.252 7.143 459 HH21 ARG 60 HH21 ARG 60 -7.442 3.715 7.954 460 HH22 ARG 60 HH22 ARG 60 -9.001 4.096 7.305 461 H PHE 61 H PHE 61 -2.016 9.012 4.450 462 HA PHE 61 HA PHE 61 -0.288 6.666 4.893 463 HB2 PHE 61 HB2 PHE 61 -1.102 7.884 2.301 464 HB3 PHE 61 HB3 PHE 61 0.573 7.355 2.463 465 HD1 PHE 61 HD1 PHE 61 -2.968 6.254 2.675 466 HD2 PHE 61 HD2 PHE 61 1.148 5.031 2.563 467 HE1 PHE 61 HE1 PHE 61 -3.677 3.899 2.354 468 HE2 PHE 61 HE2 PHE 61 0.439 2.675 2.242 469 HZ PHE 61 HZ PHE 61 -1.973 2.110 2.138 470 HA PRO 62 HA PRO 62 1.697 10.632 6.304 471 HB2 PRO 62 HB2 PRO 62 3.152 8.582 7.902 472 HB3 PRO 62 HB3 PRO 62 2.440 10.121 8.420 473 HG2 PRO 62 HG2 PRO 62 1.302 7.773 8.994 474 HG3 PRO 62 HG3 PRO 62 0.347 9.228 8.662 475 HD2 PRO 62 HD2 PRO 62 0.797 6.839 6.932 476 HD3 PRO 62 HD3 PRO 62 -0.610 7.921 7.021 477 H GLY 63 H GLY 63 3.590 11.466 5.532 478 HA2 GLY 63 HA2 GLY 63 5.200 9.768 3.788 479 HA3 GLY 63 HA3 GLY 63 5.272 11.524 3.896 480 H ARG 64 H ARG 64 7.649 10.743 3.812 481 HA ARG 64 HA ARG 64 9.644 10.193 4.890 482 HB2 ARG 64 HB2 ARG 64 9.088 12.653 5.307 483 HB3 ARG 64 HB3 ARG 64 8.568 12.154 6.915 484 HG2 ARG 64 HG2 ARG 64 10.834 12.770 7.208 485 HG3 ARG 64 HG3 ARG 64 10.870 11.011 7.113 486 HD2 ARG 64 HD2 ARG 64 12.328 11.188 5.410 487 HD3 ARG 64 HD3 ARG 64 11.050 11.922 4.447 488 HE ARG 64 HE ARG 64 13.206 13.323 5.831 489 HH11 ARG 64 HH11 ARG 64 10.181 13.428 4.152 490 HH12 ARG 64 HH12 ARG 64 10.312 15.105 3.739 491 HH21 ARG 64 HH21 ARG 64 13.382 15.523 5.295 492 HH22 ARG 64 HH22 ARG 64 12.124 16.291 4.386 493 H SER 65 H SER 65 8.928 7.993 5.464 494 HA SER 65 HA SER 65 9.583 7.234 8.021 495 HB2 SER 65 HB2 SER 65 7.121 6.618 8.765 496 HB3 SER 65 HB3 SER 65 7.807 8.197 9.133 497 HG SER 65 HG SER 65 6.005 7.456 7.086 498 H MET 66 H MET 66 7.416 6.635 5.311 499 HA MET 66 HA MET 66 7.020 3.880 5.656 500 HB2 MET 66 HB2 MET 66 7.184 5.502 3.105 501 HB3 MET 66 HB3 MET 66 6.567 3.853 3.212 502 HG2 MET 66 HG2 MET 66 5.449 6.217 4.749 503 HG3 MET 66 HG3 MET 66 4.742 5.546 3.279 504 HE1 MET 66 HE1 MET 66 4.874 5.584 6.959 505 HE2 MET 66 HE2 MET 66 3.457 4.583 7.264 506 HE3 MET 66 HE3 MET 66 3.342 5.942 6.149 507 H ARG 67 H ARG 67 9.675 5.670 4.163 508 HA ARG 67 HA ARG 67 10.994 3.518 2.931 509 HB2 ARG 67 HB2 ARG 67 12.126 6.047 4.149 510 HB3 ARG 67 HB3 ARG 67 13.029 4.943 3.110 511 HG2 ARG 67 HG2 ARG 67 11.303 5.277 1.334 512 HG3 ARG 67 HG3 ARG 67 10.527 6.483 2.362 513 HD2 ARG 67 HD2 ARG 67 12.726 7.721 2.421 514 HD3 ARG 67 HD3 ARG 67 13.326 6.592 1.209 515 HE ARG 67 HE ARG 67 11.944 7.620 -0.385 516 HH11 ARG 67 HH11 ARG 67 11.341 8.761 2.826 517 HH12 ARG 67 HH12 ARG 67 10.369 10.101 2.317 518 HH21 ARG 67 HH21 ARG 67 10.669 9.376 -1.061 519 HH22 ARG 67 HH22 ARG 67 9.988 10.448 0.116 520 H ALA 68 H ALA 68 11.130 4.739 6.247 521 HA ALA 68 HA ALA 68 13.296 3.168 7.139 522 HB1 ALA 68 HB1 ALA 68 11.510 5.029 8.265 523 HB2 ALA 68 HB2 ALA 68 12.919 4.299 9.036 524 HB3 ALA 68 HB3 ALA 68 11.330 3.554 9.216 525 H ALA 69 H ALA 69 9.839 2.505 6.887 526 HA ALA 69 HA ALA 69 9.801 0.097 8.359 527 HB1 ALA 69 HB1 ALA 69 7.785 -0.353 6.720 528 HB2 ALA 69 HB2 ALA 69 8.045 1.334 6.276 529 HB3 ALA 69 HB3 ALA 69 7.673 0.910 7.947 530 H HIS 70 H HIS 70 10.540 0.805 4.982 531 HA HIS 70 HA HIS 70 10.919 -2.048 4.422 532 HB2 HIS 70 HB2 HIS 70 11.038 0.377 2.614 533 HB3 HIS 70 HB3 HIS 70 11.246 -1.292 2.081 534 HD1 HIS 70 HD1 HIS 70 8.661 1.181 3.091 535 HD2 HIS 70 HD2 HIS 70 8.845 -2.907 2.295 536 HE1 HIS 70 HE1 HIS 70 6.268 0.391 2.844 537 H GLN 71 H GLN 71 12.724 0.728 5.296 538 HA GLN 71 HA GLN 71 15.176 0.255 4.020 539 HB2 GLN 71 HB2 GLN 71 14.612 2.310 5.317 540 HB3 GLN 71 HB3 GLN 71 14.772 1.374 6.803 541 HG2 GLN 71 HG2 GLN 71 17.023 1.493 6.739 542 HG3 GLN 71 HG3 GLN 71 17.067 1.004 5.045 543 HE21 GLN 71 HE21 GLN 71 18.099 2.587 3.832 544 HE22 GLN 71 HE22 GLN 71 17.924 4.260 4.061 545 H ASP 72 H ASP 72 13.814 -1.082 6.993 546 HA ASP 72 HA ASP 72 16.091 -2.403 7.957 547 HB2 ASP 72 HB2 ASP 72 13.162 -3.123 8.176 548 HB3 ASP 72 HB3 ASP 72 14.443 -3.924 9.083 549 H LEU 73 H LEU 73 13.674 -3.386 5.572 550 HA LEU 73 HA LEU 73 14.465 -6.066 5.265 551 HB2 LEU 73 HB2 LEU 73 13.335 -4.200 3.166 552 HB3 LEU 73 HB3 LEU 73 13.329 -5.962 3.102 553 HG LEU 73 HG LEU 73 11.939 -4.254 5.188 554 HD11 LEU 73 HD11 LEU 73 11.120 -4.778 2.629 555 HD12 LEU 73 HD12 LEU 73 10.023 -4.500 3.982 556 HD13 LEU 73 HD13 LEU 73 10.427 -6.147 3.498 557 HD21 LEU 73 HD21 LEU 73 12.415 -6.185 6.380 558 HD22 LEU 73 HD22 LEU 73 12.489 -7.186 4.930 559 HD23 LEU 73 HD23 LEU 73 10.927 -6.691 5.579 560 H VAL 74 H VAL 74 15.614 -3.098 3.710 561 HA VAL 74 HA VAL 74 17.341 -4.352 1.844 562 HB VAL 74 HB VAL 74 17.363 -1.583 3.058 563 HG11 VAL 74 HG11 VAL 74 18.766 -1.210 0.856 564 HG12 VAL 74 HG12 VAL 74 19.152 -2.920 1.051 565 HG13 VAL 74 HG13 VAL 74 19.567 -1.771 2.324 566 HG21 VAL 74 HG21 VAL 74 16.576 -1.060 0.678 567 HG22 VAL 74 HG22 VAL 74 15.422 -1.910 1.703 568 HG23 VAL 74 HG23 VAL 74 16.337 -2.796 0.483 569 H GLU 75 H GLU 75 17.861 -3.090 5.118 570 HA GLU 75 HA GLU 75 20.657 -3.519 5.194 571 HB2 GLU 75 HB2 GLU 75 18.622 -3.413 7.433 572 HB3 GLU 75 HB3 GLU 75 20.371 -3.375 7.662 573 HG2 GLU 75 HG2 GLU 75 18.783 -1.373 6.027 574 HG3 GLU 75 HG3 GLU 75 19.388 -1.094 7.659 575 H ASN 76 H ASN 76 17.901 -5.589 5.934 576 HA ASN 76 HA ASN 76 19.643 -7.728 6.890 577 HB2 ASN 76 HB2 ASN 76 16.640 -7.644 6.518 578 HB3 ASN 76 HB3 ASN 76 17.545 -8.944 7.294 579 HD21 ASN 76 HD21 ASN 76 15.517 -6.845 8.367 580 HD22 ASN 76 HD22 ASN 76 16.309 -6.196 9.723 581 H ALA 77 H ALA 77 17.073 -7.497 4.415 582 HA ALA 77 HA ALA 77 18.486 -9.592 2.888 583 HB1 ALA 77 HB1 ALA 77 15.953 -9.703 3.710 584 HB2 ALA 77 HB2 ALA 77 16.456 -10.384 2.163 585 HB3 ALA 77 HB3 ALA 77 15.694 -8.795 2.220 586 H GLY 78 H GLY 78 18.891 -9.321 0.695 587 HA2 GLY 78 HA2 GLY 78 19.213 -6.579 -0.171 588 HA3 GLY 78 HA3 GLY 78 19.702 -8.022 -1.056 589 H LEU 79 H LEU 79 17.692 -5.449 -1.194 590 HA LEU 79 HA LEU 79 15.522 -6.902 -2.563 591 HB2 LEU 79 HB2 LEU 79 14.897 -5.303 -0.750 592 HB3 LEU 79 HB3 LEU 79 15.613 -4.002 -1.701 593 HG LEU 79 HG LEU 79 14.067 -4.632 -3.590 594 HD11 LEU 79 HD11 LEU 79 13.183 -6.590 -1.498 595 HD12 LEU 79 HD12 LEU 79 13.342 -6.810 -3.240 596 HD13 LEU 79 HD13 LEU 79 11.973 -5.912 -2.588 597 HD21 LEU 79 HD21 LEU 79 11.950 -3.854 -2.201 598 HD22 LEU 79 HD22 LEU 79 13.304 -2.753 -2.453 599 HD23 LEU 79 HD23 LEU 79 13.143 -3.617 -0.925 600 H THR 80 H THR 80 15.259 -6.752 -4.711 601 HA THR 80 HA THR 80 16.932 -4.792 -6.164 602 HB THR 80 HB THR 80 17.124 -6.432 -7.973 603 HG1 THR 80 HG1 THR 80 15.990 -8.356 -6.282 604 HG21 THR 80 HG21 THR 80 18.874 -6.493 -6.322 605 HG22 THR 80 HG22 THR 80 18.453 -8.163 -6.701 606 HG23 THR 80 HG23 THR 80 17.867 -7.422 -5.212 607 H ASP 81 H ASP 81 16.085 -4.178 -8.297 608 HA ASP 81 HA ASP 81 13.481 -3.172 -8.148 609 HB2 ASP 81 HB2 ASP 81 15.278 -3.626 -10.533 610 HB3 ASP 81 HB3 ASP 81 13.765 -2.724 -10.600 611 H VAL 82 H VAL 82 14.685 -6.132 -9.700 612 HA VAL 82 HA VAL 82 12.387 -6.801 -11.143 613 HB VAL 82 HB VAL 82 14.708 -7.939 -11.125 614 HG11 VAL 82 HG11 VAL 82 13.373 -9.807 -9.178 615 HG12 VAL 82 HG12 VAL 82 14.351 -8.462 -8.594 616 HG13 VAL 82 HG13 VAL 82 15.078 -9.699 -9.618 617 HG21 VAL 82 HG21 VAL 82 13.619 -10.134 -11.795 618 HG22 VAL 82 HG22 VAL 82 12.965 -8.706 -12.599 619 HG23 VAL 82 HG23 VAL 82 12.083 -9.447 -11.264 620 H HIS 83 H HIS 83 13.167 -7.346 -7.733 621 HA HIS 83 HA HIS 83 11.065 -9.088 -7.095 622 HB2 HIS 83 HB2 HIS 83 12.478 -6.996 -5.435 623 HB3 HIS 83 HB3 HIS 83 11.300 -8.128 -4.769 624 HD2 HIS 83 HD2 HIS 83 12.125 -10.978 -5.542 625 HE1 HIS 83 HE1 HIS 83 16.199 -9.937 -5.173 626 HE2 HIS 83 HE2 HIS 83 14.566 -11.876 -5.321 627 H PHE 84 H PHE 84 11.176 -5.534 -7.101 628 HA PHE 84 HA PHE 84 8.569 -5.096 -6.127 629 HB2 PHE 84 HB2 PHE 84 10.324 -3.339 -6.319 630 HB3 PHE 84 HB3 PHE 84 10.127 -3.373 -8.071 631 HD1 PHE 84 HD1 PHE 84 8.470 -2.570 -4.859 632 HD2 PHE 84 HD2 PHE 84 8.197 -2.398 -9.142 633 HE1 PHE 84 HE1 PHE 84 6.545 -1.017 -4.674 634 HE2 PHE 84 HE2 PHE 84 6.272 -0.846 -8.957 635 HZ PHE 84 HZ PHE 84 5.446 -0.155 -6.722 636 H ASP 85 H ASP 85 9.813 -5.404 -9.438 637 HA ASP 85 HA ASP 85 7.344 -4.981 -10.753 638 HB2 ASP 85 HB2 ASP 85 9.608 -4.881 -11.825 639 HB3 ASP 85 HB3 ASP 85 9.674 -6.640 -11.733 640 H ALA 86 H ALA 86 8.862 -7.845 -9.388 641 HA ALA 86 HA ALA 86 7.344 -9.845 -10.591 642 HB1 ALA 86 HB1 ALA 86 9.340 -10.115 -9.045 643 HB2 ALA 86 HB2 ALA 86 8.022 -11.261 -8.805 644 HB3 ALA 86 HB3 ALA 86 8.217 -9.898 -7.704 645 H ILE 87 H ILE 87 6.718 -8.410 -7.363 646 HA ILE 87 HA ILE 87 4.189 -9.629 -7.067 647 HB ILE 87 HB ILE 87 5.637 -8.555 -5.251 648 HG12 ILE 87 HG12 ILE 87 2.730 -7.699 -5.269 649 HG13 ILE 87 HG13 ILE 87 3.233 -9.370 -5.017 650 HG21 ILE 87 HG21 ILE 87 5.753 -6.283 -5.040 651 HG22 ILE 87 HG22 ILE 87 4.114 -6.042 -5.645 652 HG23 ILE 87 HG23 ILE 87 5.438 -6.318 -6.773 653 HD11 ILE 87 HD11 ILE 87 4.614 -8.650 -3.088 654 HD12 ILE 87 HD12 ILE 87 2.912 -8.251 -2.856 655 HD13 ILE 87 HD13 ILE 87 4.057 -6.993 -3.324 656 H ALA 88 H ALA 88 5.218 -6.763 -8.743 657 HA ALA 88 HA ALA 88 2.731 -5.419 -8.889 658 HB1 ALA 88 HB1 ALA 88 4.745 -5.307 -11.110 659 HB2 ALA 88 HB2 ALA 88 5.135 -4.621 -9.533 660 HB3 ALA 88 HB3 ALA 88 3.751 -4.013 -10.440 661 H GLU 89 H GLU 89 4.248 -7.874 -10.949 662 HA GLU 89 HA GLU 89 2.305 -7.839 -13.004 663 HB2 GLU 89 HB2 GLU 89 4.173 -10.027 -12.070 664 HB3 GLU 89 HB3 GLU 89 3.182 -10.132 -13.526 665 HG2 GLU 89 HG2 GLU 89 4.257 -8.068 -14.385 666 HG3 GLU 89 HG3 GLU 89 5.279 -8.019 -12.951 667 H ASN 90 H ASN 90 2.504 -9.558 -9.931 668 HA ASN 90 HA ASN 90 0.456 -11.424 -10.310 669 HB2 ASN 90 HB2 ASN 90 1.289 -9.958 -7.797 670 HB3 ASN 90 HB3 ASN 90 0.223 -11.361 -7.828 671 HD21 ASN 90 HD21 ASN 90 2.738 -11.445 -6.463 672 HD22 ASN 90 HD22 ASN 90 3.757 -12.520 -7.291 673 H LEU 91 H LEU 91 0.323 -8.023 -9.359 674 HA LEU 91 HA LEU 91 -2.419 -7.920 -8.693 675 HB2 LEU 91 HB2 LEU 91 -0.759 -6.139 -8.156 676 HB3 LEU 91 HB3 LEU 91 -0.712 -5.713 -9.867 677 HG LEU 91 HG LEU 91 -3.196 -5.335 -9.779 678 HD11 LEU 91 HD11 LEU 91 -4.233 -6.258 -7.988 679 HD12 LEU 91 HD12 LEU 91 -3.661 -4.849 -7.096 680 HD13 LEU 91 HD13 LEU 91 -2.736 -6.349 -7.061 681 HD21 LEU 91 HD21 LEU 91 -1.191 -3.756 -8.214 682 HD22 LEU 91 HD22 LEU 91 -2.885 -3.276 -8.120 683 HD23 LEU 91 HD23 LEU 91 -2.066 -3.315 -9.680 684 H VAL 92 H VAL 92 -0.696 -7.520 -11.758 685 HA VAL 92 HA VAL 92 -2.920 -6.687 -13.301 686 HB VAL 92 HB VAL 92 -0.365 -8.102 -14.087 687 HG11 VAL 92 HG11 VAL 92 -1.927 -8.537 -15.843 688 HG12 VAL 92 HG12 VAL 92 -0.980 -7.149 -16.380 689 HG13 VAL 92 HG13 VAL 92 -2.606 -6.912 -15.735 690 HG21 VAL 92 HG21 VAL 92 0.575 -6.034 -14.182 691 HG22 VAL 92 HG22 VAL 92 -0.757 -5.549 -13.133 692 HG23 VAL 92 HG23 VAL 92 -0.875 -5.309 -14.876 693 H LEU 93 H LEU 93 -1.534 -9.892 -12.650 694 HA LEU 93 HA LEU 93 -3.224 -11.361 -14.364 695 HB2 LEU 93 HB2 LEU 93 -1.922 -12.242 -11.775 696 HB3 LEU 93 HB3 LEU 93 -2.573 -13.310 -13.019 697 HG LEU 93 HG LEU 93 -0.302 -11.334 -13.393 698 HD11 LEU 93 HD11 LEU 93 0.989 -13.010 -12.619 699 HD12 LEU 93 HD12 LEU 93 0.465 -13.984 -13.993 700 HD13 LEU 93 HD13 LEU 93 -0.412 -14.071 -12.465 701 HD21 LEU 93 HD21 LEU 93 -1.918 -13.026 -15.256 702 HD22 LEU 93 HD22 LEU 93 -0.189 -12.883 -15.568 703 HD23 LEU 93 HD23 LEU 93 -1.198 -11.438 -15.523 704 H THR 94 H THR 94 -3.621 -10.253 -11.039 705 HA THR 94 HA THR 94 -5.866 -11.766 -10.326 706 HB THR 94 HB THR 94 -5.259 -8.915 -9.510 707 HG1 THR 94 HG1 THR 94 -3.718 -10.903 -9.244 708 HG21 THR 94 HG21 THR 94 -6.475 -9.589 -7.448 709 HG22 THR 94 HG22 THR 94 -6.849 -11.139 -8.203 710 HG23 THR 94 HG23 THR 94 -7.502 -9.648 -8.880 711 H LEU 95 H LEU 95 -5.628 -8.663 -12.028 712 HA LEU 95 HA LEU 95 -8.410 -8.160 -12.180 713 HB2 LEU 95 HB2 LEU 95 -6.217 -7.258 -14.065 714 HB3 LEU 95 HB3 LEU 95 -7.824 -6.545 -13.922 715 HG LEU 95 HG LEU 95 -5.719 -6.650 -11.740 716 HD11 LEU 95 HD11 LEU 95 -5.331 -4.993 -13.575 717 HD12 LEU 95 HD12 LEU 95 -5.635 -4.231 -12.014 718 HD13 LEU 95 HD13 LEU 95 -6.912 -4.292 -13.228 719 HD21 LEU 95 HD21 LEU 95 -7.691 -6.711 -10.516 720 HD22 LEU 95 HD22 LEU 95 -8.624 -5.912 -11.782 721 HD23 LEU 95 HD23 LEU 95 -7.536 -4.971 -10.760 722 H GLN 96 H GLN 96 -6.192 -9.998 -14.209 723 HA GLN 96 HA GLN 96 -7.842 -10.347 -16.455 724 HB2 GLN 96 HB2 GLN 96 -5.781 -12.229 -15.278 725 HB3 GLN 96 HB3 GLN 96 -6.470 -12.361 -16.897 726 HG2 GLN 96 HG2 GLN 96 -4.922 -9.975 -15.844 727 HG3 GLN 96 HG3 GLN 96 -4.281 -11.203 -16.935 728 HE21 GLN 96 HE21 GLN 96 -5.138 -8.139 -17.165 729 HE22 GLN 96 HE22 GLN 96 -5.967 -8.121 -18.646 730 H GLU 97 H GLU 97 -7.671 -12.088 -13.389 731 HA GLU 97 HA GLU 97 -9.392 -14.225 -14.082 732 HB2 GLU 97 HB2 GLU 97 -8.794 -12.964 -11.397 733 HB3 GLU 97 HB3 GLU 97 -9.674 -14.477 -11.617 734 HG2 GLU 97 HG2 GLU 97 -7.714 -15.417 -12.821 735 HG3 GLU 97 HG3 GLU 97 -6.833 -13.921 -12.516 736 H LEU 98 H LEU 98 -9.966 -10.948 -12.995 737 HA LEU 98 HA LEU 98 -12.779 -11.367 -12.477 738 HB2 LEU 98 HB2 LEU 98 -11.251 -8.773 -12.791 739 HB3 LEU 98 HB3 LEU 98 -12.851 -8.972 -12.075 740 HG LEU 98 HG LEU 98 -10.260 -10.146 -11.022 741 HD11 LEU 98 HD11 LEU 98 -10.137 -8.052 -10.134 742 HD12 LEU 98 HD12 LEU 98 -11.376 -8.644 -9.027 743 HD13 LEU 98 HD13 LEU 98 -11.839 -7.715 -10.452 744 HD21 LEU 98 HD21 LEU 98 -11.825 -11.746 -10.384 745 HD22 LEU 98 HD22 LEU 98 -13.151 -10.584 -10.350 746 HD23 LEU 98 HD23 LEU 98 -11.967 -10.607 -9.045 747 H ASN 99 H ASN 99 -11.021 -11.245 -15.263 748 HA ASN 99 HA ASN 99 -11.565 -10.934 -17.474 749 HB2 ASN 99 HB2 ASN 99 -13.601 -12.263 -16.621 750 HB3 ASN 99 HB3 ASN 99 -14.447 -10.716 -16.628 751 HD21 ASN 99 HD21 ASN 99 -15.587 -12.370 -18.374 752 HD22 ASN 99 HD22 ASN 99 -15.087 -12.092 -19.971 753 H VAL 100 H VAL 100 -10.677 -8.694 -16.280 754 HA VAL 100 HA VAL 100 -12.552 -6.536 -16.986 755 HB VAL 100 HB VAL 100 -9.919 -6.401 -15.494 756 HG11 VAL 100 HG11 VAL 100 -10.661 -4.134 -14.914 757 HG12 VAL 100 HG12 VAL 100 -12.136 -4.361 -15.854 758 HG13 VAL 100 HG13 VAL 100 -10.571 -4.313 -16.666 759 HG21 VAL 100 HG21 VAL 100 -12.553 -5.897 -14.191 760 HG22 VAL 100 HG22 VAL 100 -11.085 -6.607 -13.519 761 HG23 VAL 100 HG23 VAL 100 -12.147 -7.577 -14.540 762 H SER 101 H SER 101 -12.122 -5.086 -18.588 763 HA SER 101 HA SER 101 -10.546 -5.803 -20.763 764 HB2 SER 101 HB2 SER 101 -12.379 -4.133 -20.838 765 HB3 SER 101 HB3 SER 101 -11.356 -2.999 -19.962 766 HG SER 101 HG SER 101 -11.374 -2.894 -22.357 767 H GLN 102 H GLN 102 -8.503 -5.361 -21.433 768 HA GLN 102 HA GLN 102 -6.471 -4.978 -19.545 769 HB2 GLN 102 HB2 GLN 102 -6.221 -6.057 -21.798 770 HB3 GLN 102 HB3 GLN 102 -6.268 -4.446 -22.513 771 HG2 GLN 102 HG2 GLN 102 -3.956 -4.949 -22.245 772 HG3 GLN 102 HG3 GLN 102 -4.351 -3.843 -20.931 773 HE21 GLN 102 HE21 GLN 102 -5.860 -6.692 -20.123 774 HE22 GLN 102 HE22 GLN 102 -4.637 -7.395 -19.180 775 H ASP 103 H ASP 103 -8.129 -2.674 -21.649 776 HA ASP 103 HA ASP 103 -6.425 -0.485 -21.401 777 HB2 ASP 103 HB2 ASP 103 -9.439 -0.588 -21.615 778 HB3 ASP 103 HB3 ASP 103 -8.494 0.893 -21.760 779 H LEU 104 H LEU 104 -9.039 -1.554 -19.239 780 HA LEU 104 HA LEU 104 -8.828 0.640 -17.440 781 HB2 LEU 104 HB2 LEU 104 -9.848 -2.165 -16.930 782 HB3 LEU 104 HB3 LEU 104 -10.139 -0.759 -15.906 783 HG LEU 104 HG LEU 104 -11.018 -1.062 -18.794 784 HD11 LEU 104 HD11 LEU 104 -13.131 -0.569 -16.919 785 HD12 LEU 104 HD12 LEU 104 -12.183 -1.941 -16.348 786 HD13 LEU 104 HD13 LEU 104 -12.898 -1.973 -17.960 787 HD21 LEU 104 HD21 LEU 104 -10.983 1.218 -16.857 788 HD22 LEU 104 HD22 LEU 104 -12.373 1.067 -17.930 789 HD23 LEU 104 HD23 LEU 104 -10.752 1.232 -18.605 790 H ILE 105 H ILE 105 -7.280 -2.520 -17.628 791 HA ILE 105 HA ILE 105 -6.050 -2.534 -15.097 792 HB ILE 105 HB ILE 105 -5.094 -3.765 -17.694 793 HG12 ILE 105 HG12 ILE 105 -6.702 -4.955 -15.410 794 HG13 ILE 105 HG13 ILE 105 -7.396 -4.422 -16.941 795 HG21 ILE 105 HG21 ILE 105 -3.250 -4.225 -16.460 796 HG22 ILE 105 HG22 ILE 105 -4.278 -5.352 -15.575 797 HG23 ILE 105 HG23 ILE 105 -4.027 -3.717 -14.961 798 HD11 ILE 105 HD11 ILE 105 -6.101 -6.918 -16.332 799 HD12 ILE 105 HD12 ILE 105 -5.187 -6.079 -17.585 800 HD13 ILE 105 HD13 ILE 105 -6.898 -6.429 -17.826 801 H ASP 106 H ASP 106 -5.016 -1.187 -18.204 802 HA ASP 106 HA ASP 106 -2.389 -0.498 -17.516 803 HB2 ASP 106 HB2 ASP 106 -4.339 0.840 -19.401 804 HB3 ASP 106 HB3 ASP 106 -2.628 1.254 -19.298 805 H GLU 107 H GLU 107 -5.439 1.229 -17.021 806 HA GLU 107 HA GLU 107 -4.343 3.649 -16.067 807 HB2 GLU 107 HB2 GLU 107 -6.721 3.336 -16.749 808 HB3 GLU 107 HB3 GLU 107 -6.980 2.384 -15.287 809 HG2 GLU 107 HG2 GLU 107 -6.231 4.335 -13.926 810 HG3 GLU 107 HG3 GLU 107 -6.095 5.281 -15.408 811 H VAL 108 H VAL 108 -5.155 0.612 -14.469 812 HA VAL 108 HA VAL 108 -4.825 1.489 -11.799 813 HB VAL 108 HB VAL 108 -4.520 -1.247 -13.055 814 HG11 VAL 108 HG11 VAL 108 -4.013 -0.260 -10.324 815 HG12 VAL 108 HG12 VAL 108 -3.496 -1.761 -11.092 816 HG13 VAL 108 HG13 VAL 108 -5.113 -1.636 -10.402 817 HG21 VAL 108 HG21 VAL 108 -6.766 0.297 -12.715 818 HG22 VAL 108 HG22 VAL 108 -6.738 -0.621 -11.210 819 HG23 VAL 108 HG23 VAL 108 -6.768 -1.466 -12.758 820 H VAL 109 H VAL 109 -2.568 0.171 -14.182 821 HA VAL 109 HA VAL 109 -0.349 -0.189 -12.501 822 HB VAL 109 HB VAL 109 -0.519 0.490 -15.443 823 HG11 VAL 109 HG11 VAL 109 1.672 1.119 -14.960 824 HG12 VAL 109 HG12 VAL 109 1.878 -0.602 -15.287 825 HG13 VAL 109 HG13 VAL 109 1.813 -0.022 -13.622 826 HG21 VAL 109 HG21 VAL 109 0.477 -2.131 -14.636 827 HG22 VAL 109 HG22 VAL 109 -0.832 -1.728 -15.747 828 HG23 VAL 109 HG23 VAL 109 -1.146 -1.828 -14.014 829 H THR 110 H THR 110 -1.477 2.658 -14.282 830 HA THR 110 HA THR 110 0.724 4.332 -13.822 831 HB THR 110 HB THR 110 -2.185 5.145 -14.007 832 HG1 THR 110 HG1 THR 110 -1.855 4.116 -15.850 833 HG21 THR 110 HG21 THR 110 0.444 6.585 -14.364 834 HG22 THR 110 HG22 THR 110 -0.909 7.026 -13.322 835 HG23 THR 110 HG23 THR 110 -1.054 7.190 -15.073 836 H ILE 111 H ILE 111 -2.161 3.717 -11.848 837 HA ILE 111 HA ILE 111 -1.735 5.682 -9.892 838 HB ILE 111 HB ILE 111 -2.991 2.944 -9.586 839 HG12 ILE 111 HG12 ILE 111 -4.251 5.650 -10.139 840 HG13 ILE 111 HG13 ILE 111 -3.975 4.413 -11.366 841 HG21 ILE 111 HG21 ILE 111 -2.508 5.152 -7.734 842 HG22 ILE 111 HG22 ILE 111 -3.070 3.513 -7.401 843 HG23 ILE 111 HG23 ILE 111 -4.223 4.761 -7.874 844 HD11 ILE 111 HD11 ILE 111 -5.326 2.828 -9.908 845 HD12 ILE 111 HD12 ILE 111 -6.245 4.147 -10.633 846 HD13 ILE 111 HD13 ILE 111 -5.771 4.231 -8.936 847 H VAL 112 H VAL 112 -0.758 2.250 -9.894 848 HA VAL 112 HA VAL 112 0.840 2.614 -7.500 849 HB VAL 112 HB VAL 112 1.356 0.244 -7.737 850 HG11 VAL 112 HG11 VAL 112 -1.038 -0.623 -7.872 851 HG12 VAL 112 HG12 VAL 112 -1.520 1.027 -8.266 852 HG13 VAL 112 HG13 VAL 112 -0.767 0.677 -6.711 853 HG21 VAL 112 HG21 VAL 112 0.111 -0.888 -9.758 854 HG22 VAL 112 HG22 VAL 112 1.692 -0.152 -10.019 855 HG23 VAL 112 HG23 VAL 112 0.228 0.714 -10.484 856 H GLY 113 H GLY 113 1.276 2.839 -10.895 857 HA2 GLY 113 HA2 GLY 113 4.081 2.256 -10.980 858 HA3 GLY 113 HA3 GLY 113 3.139 3.038 -12.245 859 H SER 114 H SER 114 2.781 4.517 -9.198 860 HA SER 114 HA SER 114 3.807 6.990 -10.031 861 HB2 SER 114 HB2 SER 114 3.453 5.943 -7.213 862 HB3 SER 114 HB3 SER 114 3.682 7.633 -7.652 863 HG SER 114 HG SER 114 1.597 7.640 -7.895 864 H VAL 115 H VAL 115 5.782 7.906 -9.975 865 HA VAL 115 HA VAL 115 8.086 6.265 -9.642 866 HB VAL 115 HB VAL 115 7.780 9.255 -9.973 867 HG11 VAL 115 HG11 VAL 115 10.121 7.546 -9.422 868 HG12 VAL 115 HG12 VAL 115 9.933 9.290 -9.237 869 HG13 VAL 115 HG13 VAL 115 10.307 8.606 -10.819 870 HG21 VAL 115 HG21 VAL 115 7.337 7.189 -11.759 871 HG22 VAL 115 HG22 VAL 115 9.014 7.629 -12.087 872 HG23 VAL 115 HG23 VAL 115 7.743 8.846 -12.205 873 H GLN 116 H GLN 116 6.589 8.802 -7.668 874 HA GLN 116 HA GLN 116 8.592 9.081 -5.741 875 HB2 GLN 116 HB2 GLN 116 6.561 10.530 -5.986 876 HB3 GLN 116 HB3 GLN 116 5.615 9.243 -5.239 877 HG2 GLN 116 HG2 GLN 116 6.201 10.734 -3.467 878 HG3 GLN 116 HG3 GLN 116 7.264 9.337 -3.295 879 HE21 GLN 116 HE21 GLN 116 9.410 9.909 -2.961 880 HE22 GLN 116 HE22 GLN 116 10.141 11.330 -3.533 881 H HIS 117 H HIS 117 5.858 6.799 -5.848 882 HA HIS 117 HA HIS 117 6.344 5.626 -3.320 883 HB2 HIS 117 HB2 HIS 117 4.240 5.380 -4.678 884 HB3 HIS 117 HB3 HIS 117 5.117 4.263 -5.723 885 HD1 HIS 117 HD1 HIS 117 5.542 4.426 -1.971 886 HD2 HIS 117 HD2 HIS 117 3.851 1.910 -4.831 887 HE1 HIS 117 HE1 HIS 117 4.885 2.311 -0.754 888 H ARG 118 H ARG 118 7.397 4.719 -6.593 889 HA ARG 118 HA ARG 118 8.766 2.366 -5.922 890 HB2 ARG 118 HB2 ARG 118 8.252 3.091 -8.243 891 HB3 ARG 118 HB3 ARG 118 9.479 4.350 -8.094 892 HG2 ARG 118 HG2 ARG 118 11.186 2.606 -7.633 893 HG3 ARG 118 HG3 ARG 118 9.954 1.364 -7.859 894 HD2 ARG 118 HD2 ARG 118 9.561 2.243 -10.166 895 HD3 ARG 118 HD3 ARG 118 10.894 3.368 -9.929 896 HE ARG 118 HE ARG 118 11.779 0.734 -9.381 897 HH11 ARG 118 HH11 ARG 118 10.764 2.799 -11.965 898 HH12 ARG 118 HH12 ARG 118 11.717 1.995 -13.167 899 HH21 ARG 118 HH21 ARG 118 13.033 -0.325 -10.950 900 HH22 ARG 118 HH22 ARG 118 13.003 0.227 -12.593 901 H ASN 119 H ASN 119 9.860 5.740 -6.000 902 HA ASN 119 HA ASN 119 12.580 5.268 -5.422 903 HB2 ASN 119 HB2 ASN 119 10.821 7.646 -4.777 904 HB3 ASN 119 HB3 ASN 119 12.577 7.632 -4.630 905 HD21 ASN 119 HD21 ASN 119 11.260 9.420 -6.437 906 HD22 ASN 119 HD22 ASN 119 11.644 8.953 -8.023 907 H ASP 120 H ASP 120 9.759 5.709 -3.331 908 HA ASP 120 HA ASP 120 11.154 5.825 -0.875 909 HB2 ASP 120 HB2 ASP 120 8.341 4.920 -1.522 910 HB3 ASP 120 HB3 ASP 120 8.954 5.148 0.115 911 H VAL 121 H VAL 121 9.754 3.105 -2.684 912 HA VAL 121 HA VAL 121 10.372 1.125 -0.735 913 HB VAL 121 HB VAL 121 9.846 0.923 -3.707 914 HG11 VAL 121 HG11 VAL 121 9.288 -1.529 -2.834 915 HG12 VAL 121 HG12 VAL 121 10.502 -1.121 -1.621 916 HG13 VAL 121 HG13 VAL 121 10.922 -1.094 -3.334 917 HG21 VAL 121 HG21 VAL 121 7.975 -0.144 -1.672 918 HG22 VAL 121 HG22 VAL 121 7.634 0.745 -3.156 919 HG23 VAL 121 HG23 VAL 121 8.130 1.612 -1.702 920 H LEU 122 H LEU 122 12.022 2.228 -3.678 921 HA LEU 122 HA LEU 122 14.250 0.424 -3.269 922 HB2 LEU 122 HB2 LEU 122 13.962 2.740 -5.198 923 HB3 LEU 122 HB3 LEU 122 15.185 1.469 -5.262 924 HG LEU 122 HG LEU 122 12.189 1.076 -5.534 925 HD11 LEU 122 HD11 LEU 122 12.636 0.575 -7.833 926 HD12 LEU 122 HD12 LEU 122 14.377 0.562 -7.561 927 HD13 LEU 122 HD13 LEU 122 13.486 2.082 -7.489 928 HD21 LEU 122 HD21 LEU 122 13.185 -1.277 -6.266 929 HD22 LEU 122 HD22 LEU 122 12.863 -0.926 -4.569 930 HD23 LEU 122 HD23 LEU 122 14.505 -0.797 -5.200 931 H ASN 123 H ASN 123 13.324 3.450 -2.072 932 HA ASN 123 HA ASN 123 14.401 5.051 -0.827 933 HB2 ASN 123 HB2 ASN 123 16.415 2.812 -0.500 934 HB3 ASN 123 HB3 ASN 123 16.409 4.305 0.436 935 HD21 ASN 123 HD21 ASN 123 16.064 1.728 1.677 936 HD22 ASN 123 HD22 ASN 123 14.488 1.656 2.300 937 H ARG 124 H ARG 124 14.725 5.250 -3.571 938 HA ARG 124 HA ARG 124 16.140 5.998 -5.254 939 HB2 ARG 124 HB2 ARG 124 16.879 7.708 -2.875 940 HB3 ARG 124 HB3 ARG 124 17.324 8.084 -4.540 941 HG2 ARG 124 HG2 ARG 124 14.895 8.037 -5.143 942 HG3 ARG 124 HG3 ARG 124 14.514 7.811 -3.435 943 HD2 ARG 124 HD2 ARG 124 15.977 10.172 -4.646 944 HD3 ARG 124 HD3 ARG 124 14.337 10.180 -4.005 945 HE ARG 124 HE ARG 124 15.916 9.291 -1.925 946 HH11 ARG 124 HH11 ARG 124 15.779 12.053 -4.005 947 HH12 ARG 124 HH12 ARG 124 16.430 13.144 -2.828 948 HH21 ARG 124 HH21 ARG 124 16.772 10.716 -0.376 949 HH22 ARG 124 HH22 ARG 124 16.991 12.387 -0.774 950 HHA HEB 125 HHA HEB 125 4.593 -2.581 6.912 951 HHB HEB 125 HHB HEB 125 2.245 1.292 2.502 952 HHC HEB 125 HHC HEB 125 5.388 -1.915 -1.975 953 HHD HEB 125 HHD HEB 125 7.688 -5.804 2.419 954 HMA1 HEB 125 HMA1 HEB 125 1.008 1.469 4.374 955 HMA2 HEB 125 HMA2 HEB 125 2.270 2.349 5.235 956 HMA3 HEB 125 HMA3 HEB 125 1.181 1.276 6.113 957 HAA1 HEB 125 HAA1 HEB 125 2.649 0.546 7.645 958 HAA2 HEB 125 HAA2 HEB 125 3.868 -0.687 7.897 959 HBA1 HEB 125 HBA1 HEB 125 2.172 -2.442 7.649 960 HBA2 HEB 125 HBA2 HEB 125 0.940 -1.221 7.337 961 HMB1 HEB 125 HMB1 HEB 125 2.443 2.611 0.573 962 HMB2 HEB 125 HMB2 HEB 125 1.153 1.547 0.011 963 HMB3 HEB 125 HMB3 HEB 125 2.296 2.234 -1.143 964 HAB2 HEB 125 HAB2 HEB 125 4.225 -0.423 -2.950 965 HBB1 HEB 125 HBB1 HEB 125 2.156 -0.387 -3.785 966 HBB2 HEB 125 HBB2 HEB 125 1.883 1.245 -3.173 967 HBB3 HEB 125 HBB3 HEB 125 1.565 -0.148 -2.141 968 HMC1 HEB 125 HMC1 HEB 125 7.739 -4.810 -2.647 969 HMC2 HEB 125 HMC2 HEB 125 7.478 -3.069 -2.757 970 HMC3 HEB 125 HMC3 HEB 125 6.122 -4.178 -2.959 971 HAC HEB 125 HAC HEB 125 9.116 -5.845 0.202 972 HBC1 HEB 125 HBC1 HEB 125 6.748 -6.972 -1.434 973 HBC2 HEB 125 HBC2 HEB 125 8.397 -7.777 -1.145 974 HMD1 HEB 125 HMD1 HEB 125 8.763 -6.067 5.064 975 HMD2 HEB 125 HMD2 HEB 125 7.564 -7.084 4.269 976 HMD3 HEB 125 HMD3 HEB 125 7.520 -6.874 6.011 977 HAD1 HEB 125 HAD1 HEB 125 6.299 -5.860 7.493 978 HAD2 HEB 125 HAD2 HEB 125 5.203 -4.525 7.745 979 HBD1 HEB 125 HBD1 HEB 125 7.538 -3.170 7.526 980 HBD2 HEB 125 HBD2 HEB 125 8.117 -4.688 8.209 Start of MODEL 9 1 H1 ALA 2 H1 ALA 2 -14.177 9.670 -3.854 2 H2 ALA 2 H2 ALA 2 -14.306 9.742 -2.160 3 H3 ALA 2 H3 ALA 2 -14.120 8.242 -2.939 4 HA ALA 2 HA ALA 2 -11.933 9.250 -3.828 5 HB1 ALA 2 HB1 ALA 2 -10.977 10.795 -2.050 6 HB2 ALA 2 HB2 ALA 2 -12.621 10.970 -1.433 7 HB3 ALA 2 HB3 ALA 2 -12.230 11.508 -3.066 8 H SER 3 H SER 3 -13.597 7.340 -1.959 9 HA SER 3 HA SER 3 -11.244 6.352 -0.463 10 HB2 SER 3 HB2 SER 3 -12.738 5.570 1.289 11 HB3 SER 3 HB3 SER 3 -12.982 7.296 1.042 12 HG SER 3 HG SER 3 -14.970 6.842 0.579 13 H LEU 4 H LEU 4 -11.131 4.048 -0.191 14 HA LEU 4 HA LEU 4 -11.589 2.571 -2.511 15 HB2 LEU 4 HB2 LEU 4 -9.978 1.948 -0.725 16 HB3 LEU 4 HB3 LEU 4 -11.333 1.505 0.311 17 HG LEU 4 HG LEU 4 -12.072 -0.123 -1.456 18 HD11 LEU 4 HD11 LEU 4 -11.143 0.546 -3.478 19 HD12 LEU 4 HD12 LEU 4 -10.012 -0.720 -3.007 20 HD13 LEU 4 HD13 LEU 4 -9.597 0.972 -2.745 21 HD21 LEU 4 HD21 LEU 4 -9.529 -0.278 0.082 22 HD22 LEU 4 HD22 LEU 4 -9.799 -1.537 -1.122 23 HD23 LEU 4 HD23 LEU 4 -10.964 -1.298 0.179 24 H TYR 5 H TYR 5 -13.538 2.848 0.433 25 HA TYR 5 HA TYR 5 -15.460 0.882 -0.184 26 HB2 TYR 5 HB2 TYR 5 -15.227 1.898 2.049 27 HB3 TYR 5 HB3 TYR 5 -15.799 3.437 1.406 28 HD1 TYR 5 HD1 TYR 5 -18.130 3.743 0.733 29 HD2 TYR 5 HD2 TYR 5 -16.747 0.003 2.327 30 HE1 TYR 5 HE1 TYR 5 -20.477 3.020 1.070 31 HE2 TYR 5 HE2 TYR 5 -19.095 -0.720 2.665 32 HH TYR 5 HH TYR 5 -21.803 1.478 2.035 33 H GLU 6 H GLU 6 -15.339 4.353 -0.887 34 HA GLU 6 HA GLU 6 -17.890 4.537 -2.096 35 HB2 GLU 6 HB2 GLU 6 -16.553 6.475 -1.272 36 HB3 GLU 6 HB3 GLU 6 -15.459 6.252 -2.637 37 HG2 GLU 6 HG2 GLU 6 -17.065 7.943 -3.259 38 HG3 GLU 6 HG3 GLU 6 -17.445 6.484 -4.170 39 H LYS 7 H LYS 7 -14.713 3.680 -3.360 40 HA LYS 7 HA LYS 7 -15.223 3.952 -6.094 41 HB2 LYS 7 HB2 LYS 7 -12.994 3.476 -5.063 42 HB3 LYS 7 HB3 LYS 7 -13.523 1.818 -4.785 43 HG2 LYS 7 HG2 LYS 7 -12.377 1.658 -6.829 44 HG3 LYS 7 HG3 LYS 7 -14.056 1.809 -7.341 45 HD2 LYS 7 HD2 LYS 7 -13.776 4.165 -7.807 46 HD3 LYS 7 HD3 LYS 7 -12.169 4.166 -7.081 47 HE2 LYS 7 HE2 LYS 7 -13.031 2.729 -9.605 48 HE3 LYS 7 HE3 LYS 7 -11.900 4.077 -9.483 49 HZ1 LYS 7 HZ1 LYS 7 -10.503 2.271 -9.578 50 HZ2 LYS 7 HZ2 LYS 7 -11.539 1.270 -8.677 51 HZ3 LYS 7 HZ3 LYS 7 -10.644 2.489 -7.903 52 H LEU 8 H LEU 8 -15.531 0.999 -4.091 53 HA LEU 8 HA LEU 8 -17.067 -0.263 -6.241 54 HB2 LEU 8 HB2 LEU 8 -16.170 -1.389 -3.577 55 HB3 LEU 8 HB3 LEU 8 -16.895 -2.301 -4.901 56 HG LEU 8 HG LEU 8 -14.247 -0.821 -4.976 57 HD11 LEU 8 HD11 LEU 8 -13.816 -3.440 -5.696 58 HD12 LEU 8 HD12 LEU 8 -15.069 -3.605 -4.468 59 HD13 LEU 8 HD13 LEU 8 -13.555 -2.790 -4.079 60 HD21 LEU 8 HD21 LEU 8 -14.206 -2.168 -7.252 61 HD22 LEU 8 HD22 LEU 8 -15.002 -0.597 -7.171 62 HD23 LEU 8 HD23 LEU 8 -15.960 -2.076 -7.100 63 H GLY 9 H GLY 9 -17.470 0.999 -2.992 64 HA2 GLY 9 HA2 GLY 9 -19.479 1.840 -2.108 65 HA3 GLY 9 HA3 GLY 9 -20.366 0.995 -3.372 66 H GLY 10 H GLY 10 -18.067 -1.039 -2.001 67 HA2 GLY 10 HA2 GLY 10 -19.768 -1.963 0.191 68 HA3 GLY 10 HA3 GLY 10 -19.541 -3.080 -1.151 69 H ALA 11 H ALA 11 -18.302 -2.003 1.787 70 HA ALA 11 HA ALA 11 -15.524 -2.438 1.436 71 HB1 ALA 11 HB1 ALA 11 -15.568 -1.570 3.498 72 HB2 ALA 11 HB2 ALA 11 -16.213 -3.099 4.096 73 HB3 ALA 11 HB3 ALA 11 -17.313 -1.813 3.596 74 H ALA 12 H ALA 12 -18.206 -4.564 2.312 75 HA ALA 12 HA ALA 12 -16.665 -6.814 3.050 76 HB1 ALA 12 HB1 ALA 12 -19.466 -6.636 1.917 77 HB2 ALA 12 HB2 ALA 12 -19.019 -6.675 3.623 78 HB3 ALA 12 HB3 ALA 12 -18.757 -8.094 2.610 79 H ALA 13 H ALA 13 -18.037 -5.798 -0.064 80 HA ALA 13 HA ALA 13 -17.279 -8.105 -1.520 81 HB1 ALA 13 HB1 ALA 13 -17.369 -5.428 -2.846 82 HB2 ALA 13 HB2 ALA 13 -18.851 -6.066 -2.134 83 HB3 ALA 13 HB3 ALA 13 -18.016 -6.975 -3.393 84 H VAL 14 H VAL 14 -15.599 -5.129 -0.702 85 HA VAL 14 HA VAL 14 -13.420 -5.366 -2.471 86 HB VAL 14 HB VAL 14 -13.544 -4.118 0.286 87 HG11 VAL 14 HG11 VAL 14 -11.692 -2.801 -1.387 88 HG12 VAL 14 HG12 VAL 14 -11.360 -4.523 -1.567 89 HG13 VAL 14 HG13 VAL 14 -11.332 -3.783 0.033 90 HG21 VAL 14 HG21 VAL 14 -13.462 -2.239 -1.865 91 HG22 VAL 14 HG22 VAL 14 -14.763 -2.505 -0.706 92 HG23 VAL 14 HG23 VAL 14 -14.734 -3.408 -2.219 93 H ASP 15 H ASP 15 -13.962 -6.632 0.792 94 HA ASP 15 HA ASP 15 -11.399 -7.637 1.294 95 HB2 ASP 15 HB2 ASP 15 -13.267 -7.476 2.953 96 HB3 ASP 15 HB3 ASP 15 -14.010 -8.876 2.181 97 H LEU 16 H LEU 16 -14.135 -9.103 -0.429 98 HA LEU 16 HA LEU 16 -13.109 -11.690 -0.712 99 HB2 LEU 16 HB2 LEU 16 -15.054 -10.028 -2.253 100 HB3 LEU 16 HB3 LEU 16 -14.479 -11.531 -2.975 101 HG LEU 16 HG LEU 16 -16.587 -11.750 -1.578 102 HD11 LEU 16 HD11 LEU 16 -14.264 -13.396 -1.694 103 HD12 LEU 16 HD12 LEU 16 -15.935 -13.897 -1.438 104 HD13 LEU 16 HD13 LEU 16 -14.908 -13.509 -0.058 105 HD21 LEU 16 HD21 LEU 16 -16.542 -11.438 0.735 106 HD22 LEU 16 HD22 LEU 16 -15.503 -10.125 0.187 107 HD23 LEU 16 HD23 LEU 16 -14.790 -11.604 0.826 108 H ALA 17 H ALA 17 -12.627 -8.814 -2.743 109 HA ALA 17 HA ALA 17 -11.067 -10.125 -4.724 110 HB1 ALA 17 HB1 ALA 17 -11.973 -7.456 -4.171 111 HB2 ALA 17 HB2 ALA 17 -11.395 -8.134 -5.693 112 HB3 ALA 17 HB3 ALA 17 -10.252 -7.419 -4.555 113 H VAL 18 H VAL 18 -10.286 -8.517 -1.689 114 HA VAL 18 HA VAL 18 -7.478 -8.438 -2.007 115 HB VAL 18 HB VAL 18 -9.202 -8.522 0.475 116 HG11 VAL 18 HG11 VAL 18 -7.080 -9.250 1.220 117 HG12 VAL 18 HG12 VAL 18 -7.046 -7.506 1.483 118 HG13 VAL 18 HG13 VAL 18 -6.227 -8.203 0.086 119 HG21 VAL 18 HG21 VAL 18 -8.826 -6.544 -1.454 120 HG22 VAL 18 HG22 VAL 18 -7.708 -6.093 -0.167 121 HG23 VAL 18 HG23 VAL 18 -9.424 -6.287 0.186 122 H GLU 19 H GLU 19 -9.640 -10.885 -0.606 123 HA GLU 19 HA GLU 19 -7.635 -12.581 0.418 124 HB2 GLU 19 HB2 GLU 19 -10.430 -13.194 -0.561 125 HB3 GLU 19 HB3 GLU 19 -9.403 -14.353 0.282 126 HG2 GLU 19 HG2 GLU 19 -9.228 -12.772 2.192 127 HG3 GLU 19 HG3 GLU 19 -10.326 -11.674 1.359 128 H LYS 20 H LYS 20 -9.134 -12.389 -2.787 129 HA LYS 20 HA LYS 20 -8.026 -14.752 -3.854 130 HB2 LYS 20 HB2 LYS 20 -8.807 -12.164 -5.217 131 HB3 LYS 20 HB3 LYS 20 -8.409 -13.660 -6.066 132 HG2 LYS 20 HG2 LYS 20 -10.227 -14.814 -4.802 133 HG3 LYS 20 HG3 LYS 20 -10.666 -13.266 -4.081 134 HD2 LYS 20 HD2 LYS 20 -11.017 -12.345 -6.380 135 HD3 LYS 20 HD3 LYS 20 -10.706 -13.954 -7.033 136 HE2 LYS 20 HE2 LYS 20 -12.596 -14.409 -5.041 137 HE3 LYS 20 HE3 LYS 20 -13.127 -12.900 -5.785 138 HZ1 LYS 20 HZ1 LYS 20 -13.833 -15.177 -6.786 139 HZ2 LYS 20 HZ2 LYS 20 -12.294 -15.129 -7.506 140 HZ3 LYS 20 HZ3 LYS 20 -13.418 -13.891 -7.811 141 H PHE 21 H PHE 21 -6.813 -11.429 -3.714 142 HA PHE 21 HA PHE 21 -4.474 -11.862 -5.256 143 HB2 PHE 21 HB2 PHE 21 -5.395 -9.618 -4.765 144 HB3 PHE 21 HB3 PHE 21 -4.948 -9.820 -3.071 145 HD1 PHE 21 HD1 PHE 21 -3.629 -9.522 -6.525 146 HD2 PHE 21 HD2 PHE 21 -2.669 -9.611 -2.339 147 HE1 PHE 21 HE1 PHE 21 -1.328 -8.751 -7.036 148 HE2 PHE 21 HE2 PHE 21 -0.368 -8.841 -2.851 149 HZ PHE 21 HZ PHE 21 0.302 -8.410 -5.199 150 H TYR 22 H TYR 22 -5.099 -11.978 -1.762 151 HA TYR 22 HA TYR 22 -2.473 -12.391 -0.892 152 HB2 TYR 22 HB2 TYR 22 -4.381 -11.893 0.607 153 HB3 TYR 22 HB3 TYR 22 -5.009 -13.517 0.317 154 HD1 TYR 22 HD1 TYR 22 -2.199 -11.583 1.770 155 HD2 TYR 22 HD2 TYR 22 -4.021 -15.449 1.351 156 HE1 TYR 22 HE1 TYR 22 -0.705 -12.478 3.536 157 HE2 TYR 22 HE2 TYR 22 -2.528 -16.345 3.117 158 HH TYR 22 HH TYR 22 -0.955 -15.871 4.606 159 H GLY 23 H GLY 23 -4.940 -14.735 -1.919 160 HA2 GLY 23 HA2 GLY 23 -3.526 -17.084 -1.315 161 HA3 GLY 23 HA3 GLY 23 -4.765 -16.940 -2.558 162 H LYS 24 H LYS 24 -3.586 -15.116 -4.276 163 HA LYS 24 HA LYS 24 -1.897 -16.758 -5.826 164 HB2 LYS 24 HB2 LYS 24 -3.311 -14.898 -6.714 165 HB3 LYS 24 HB3 LYS 24 -2.183 -13.750 -5.992 166 HG2 LYS 24 HG2 LYS 24 -0.341 -14.746 -7.321 167 HG3 LYS 24 HG3 LYS 24 -1.497 -15.845 -8.074 168 HD2 LYS 24 HD2 LYS 24 -2.789 -13.834 -8.862 169 HD3 LYS 24 HD3 LYS 24 -1.473 -12.822 -8.264 170 HE2 LYS 24 HE2 LYS 24 -0.330 -13.182 -10.164 171 HE3 LYS 24 HE3 LYS 24 -0.323 -14.914 -9.831 172 HZ1 LYS 24 HZ1 LYS 24 -1.381 -14.562 -11.917 173 HZ2 LYS 24 HZ2 LYS 24 -2.410 -13.373 -11.272 174 HZ3 LYS 24 HZ3 LYS 24 -2.586 -14.998 -10.806 175 H VAL 25 H VAL 25 -1.230 -14.130 -3.564 176 HA VAL 25 HA VAL 25 1.516 -13.820 -4.083 177 HB VAL 25 HB VAL 25 -0.094 -13.389 -1.561 178 HG11 VAL 25 HG11 VAL 25 2.812 -13.110 -2.148 179 HG12 VAL 25 HG12 VAL 25 2.000 -13.443 -0.618 180 HG13 VAL 25 HG13 VAL 25 2.053 -11.796 -1.248 181 HG21 VAL 25 HG21 VAL 25 -0.472 -12.036 -3.748 182 HG22 VAL 25 HG22 VAL 25 1.101 -11.318 -3.401 183 HG23 VAL 25 HG23 VAL 25 -0.225 -11.134 -2.252 184 H LEU 26 H LEU 26 -0.228 -16.005 -1.914 185 HA LEU 26 HA LEU 26 1.976 -17.083 -0.552 186 HB2 LEU 26 HB2 LEU 26 -0.794 -17.537 -0.641 187 HB3 LEU 26 HB3 LEU 26 -0.053 -19.082 -1.060 188 HG LEU 26 HG LEU 26 -0.303 -18.936 1.364 189 HD11 LEU 26 HD11 LEU 26 1.744 -19.846 1.767 190 HD12 LEU 26 HD12 LEU 26 2.598 -18.412 1.197 191 HD13 LEU 26 HD13 LEU 26 2.002 -19.601 0.040 192 HD21 LEU 26 HD21 LEU 26 1.649 -16.778 1.749 193 HD22 LEU 26 HD22 LEU 26 0.100 -17.044 2.547 194 HD23 LEU 26 HD23 LEU 26 0.157 -16.233 0.982 195 H ALA 27 H ALA 27 0.573 -17.842 -3.689 196 HA ALA 27 HA ALA 27 1.926 -20.264 -4.176 197 HB1 ALA 27 HB1 ALA 27 1.508 -18.520 -6.513 198 HB2 ALA 27 HB2 ALA 27 0.070 -18.785 -5.526 199 HB3 ALA 27 HB3 ALA 27 0.935 -20.161 -6.210 200 H ASP 28 H ASP 28 2.886 -16.895 -4.648 201 HA ASP 28 HA ASP 28 5.373 -17.652 -5.949 202 HB2 ASP 28 HB2 ASP 28 4.178 -15.588 -6.596 203 HB3 ASP 28 HB3 ASP 28 4.425 -14.949 -4.973 204 H GLU 29 H GLU 29 6.781 -18.660 -4.639 205 HA GLU 29 HA GLU 29 7.087 -18.052 -1.859 206 HB2 GLU 29 HB2 GLU 29 7.557 -20.287 -2.847 207 HB3 GLU 29 HB3 GLU 29 8.951 -19.593 -3.676 208 HG2 GLU 29 HG2 GLU 29 9.873 -18.894 -1.468 209 HG3 GLU 29 HG3 GLU 29 8.517 -19.695 -0.677 210 H ARG 30 H ARG 30 8.611 -16.942 -4.802 211 HA ARG 30 HA ARG 30 11.037 -15.984 -3.859 212 HB2 ARG 30 HB2 ARG 30 9.217 -14.776 -5.950 213 HB3 ARG 30 HB3 ARG 30 10.906 -14.333 -5.709 214 HG2 ARG 30 HG2 ARG 30 11.546 -16.717 -6.092 215 HG3 ARG 30 HG3 ARG 30 9.856 -17.079 -6.452 216 HD2 ARG 30 HD2 ARG 30 11.626 -15.128 -7.953 217 HD3 ARG 30 HD3 ARG 30 11.085 -16.700 -8.534 218 HE ARG 30 HE ARG 30 8.883 -15.008 -7.808 219 HH11 ARG 30 HH11 ARG 30 11.246 -15.711 -10.237 220 HH12 ARG 30 HH12 ARG 30 10.287 -15.100 -11.543 221 HH21 ARG 30 HH21 ARG 30 7.619 -14.205 -9.516 222 HH22 ARG 30 HH22 ARG 30 8.234 -14.247 -11.135 223 H VAL 31 H VAL 31 7.854 -14.393 -3.760 224 HA VAL 31 HA VAL 31 8.946 -12.020 -2.519 225 HB VAL 31 HB VAL 31 6.569 -11.336 -2.317 226 HG11 VAL 31 HG11 VAL 31 6.112 -11.694 -4.906 227 HG12 VAL 31 HG12 VAL 31 7.769 -12.298 -4.889 228 HG13 VAL 31 HG13 VAL 31 7.425 -10.650 -4.364 229 HG21 VAL 31 HG21 VAL 31 5.701 -13.663 -1.943 230 HG22 VAL 31 HG22 VAL 31 6.011 -14.002 -3.645 231 HG23 VAL 31 HG23 VAL 31 4.821 -12.784 -3.193 232 H ASN 32 H ASN 32 7.417 -14.990 -1.488 233 HA ASN 32 HA ASN 32 6.645 -14.304 1.108 234 HB2 ASN 32 HB2 ASN 32 7.699 -16.930 0.038 235 HB3 ASN 32 HB3 ASN 32 6.920 -16.730 1.607 236 HD21 ASN 32 HD21 ASN 32 5.778 -18.421 -0.397 237 HD22 ASN 32 HD22 ASN 32 4.325 -17.718 -0.924 238 H ARG 33 H ARG 33 9.811 -15.041 -0.210 239 HA ARG 33 HA ARG 33 11.236 -15.613 2.108 240 HB2 ARG 33 HB2 ARG 33 12.116 -14.076 -0.345 241 HB3 ARG 33 HB3 ARG 33 13.209 -14.706 0.889 242 HG2 ARG 33 HG2 ARG 33 12.313 -16.996 0.459 243 HG3 ARG 33 HG3 ARG 33 11.331 -16.334 -0.846 244 HD2 ARG 33 HD2 ARG 33 14.355 -16.268 -0.677 245 HD3 ARG 33 HD3 ARG 33 13.396 -17.271 -1.762 246 HE ARG 33 HE ARG 33 12.744 -14.518 -2.108 247 HH11 ARG 33 HH11 ARG 33 15.172 -16.904 -2.732 248 HH12 ARG 33 HH12 ARG 33 15.772 -16.122 -4.156 249 HH21 ARG 33 HH21 ARG 33 13.526 -13.486 -3.974 250 HH22 ARG 33 HH22 ARG 33 14.840 -14.186 -4.859 251 H PHE 34 H PHE 34 10.340 -12.470 0.741 252 HA PHE 34 HA PHE 34 11.804 -10.924 2.644 253 HB2 PHE 34 HB2 PHE 34 9.517 -10.230 0.795 254 HB3 PHE 34 HB3 PHE 34 10.350 -9.048 1.806 255 HD1 PHE 34 HD1 PHE 34 12.762 -8.566 1.455 256 HD2 PHE 34 HD2 PHE 34 10.567 -11.168 -1.162 257 HE1 PHE 34 HE1 PHE 34 14.567 -8.388 -0.238 258 HE2 PHE 34 HE2 PHE 34 12.370 -10.991 -2.854 259 HZ PHE 34 HZ PHE 34 14.371 -9.600 -2.391 260 H PHE 35 H PHE 35 8.610 -12.349 2.596 261 HA PHE 35 HA PHE 35 7.737 -10.822 4.917 262 HB2 PHE 35 HB2 PHE 35 6.410 -13.015 3.314 263 HB3 PHE 35 HB3 PHE 35 5.664 -12.206 4.694 264 HD1 PHE 35 HD1 PHE 35 5.423 -9.659 4.623 265 HD2 PHE 35 HD2 PHE 35 6.372 -12.024 1.168 266 HE1 PHE 35 HE1 PHE 35 4.722 -7.790 3.153 267 HE2 PHE 35 HE2 PHE 35 5.673 -10.155 -0.305 268 HZ PHE 35 HZ PHE 35 4.846 -8.038 0.688 269 H VAL 36 H VAL 36 9.846 -13.261 4.649 270 HA VAL 36 HA VAL 36 8.950 -15.276 6.380 271 HB VAL 36 HB VAL 36 11.722 -14.213 5.823 272 HG11 VAL 36 HG11 VAL 36 10.787 -16.481 7.585 273 HG12 VAL 36 HG12 VAL 36 11.935 -15.199 7.971 274 HG13 VAL 36 HG13 VAL 36 12.389 -16.483 6.849 275 HG21 VAL 36 HG21 VAL 36 10.636 -16.914 5.085 276 HG22 VAL 36 HG22 VAL 36 11.873 -15.953 4.275 277 HG23 VAL 36 HG23 VAL 36 10.171 -15.510 4.125 278 H ASN 37 H ASN 37 10.650 -12.237 7.076 279 HA ASN 37 HA ASN 37 10.934 -12.600 9.854 280 HB2 ASN 37 HB2 ASN 37 10.647 -10.057 8.239 281 HB3 ASN 37 HB3 ASN 37 11.149 -10.122 9.928 282 HD21 ASN 37 HD21 ASN 37 12.888 -9.079 7.904 283 HD22 ASN 37 HD22 ASN 37 14.206 -10.137 7.739 284 H THR 38 H THR 38 8.273 -11.417 7.889 285 HA THR 38 HA THR 38 6.695 -10.765 10.271 286 HB THR 38 HB THR 38 6.000 -10.468 7.339 287 HG1 THR 38 HG1 THR 38 7.267 -8.819 7.465 288 HG21 THR 38 HG21 THR 38 3.976 -10.475 8.544 289 HG22 THR 38 HG22 THR 38 4.381 -8.764 8.418 290 HG23 THR 38 HG23 THR 38 4.690 -9.634 9.920 291 H ASP 39 H ASP 39 4.868 -11.865 10.887 292 HA ASP 39 HA ASP 39 4.664 -14.607 10.079 293 HB2 ASP 39 HB2 ASP 39 2.835 -14.735 11.681 294 HB3 ASP 39 HB3 ASP 39 4.181 -13.842 12.387 295 H MET 40 H MET 40 2.626 -15.598 9.343 296 HA MET 40 HA MET 40 1.745 -14.494 6.914 297 HB2 MET 40 HB2 MET 40 0.550 -16.667 8.643 298 HB3 MET 40 HB3 MET 40 -0.005 -16.287 7.013 299 HG2 MET 40 HG2 MET 40 2.315 -16.682 6.175 300 HG3 MET 40 HG3 MET 40 2.785 -17.178 7.801 301 HE1 MET 40 HE1 MET 40 3.536 -18.732 5.789 302 HE2 MET 40 HE2 MET 40 2.720 -20.257 5.455 303 HE3 MET 40 HE3 MET 40 3.418 -19.970 7.047 304 H ALA 41 H ALA 41 0.381 -14.340 10.165 305 HA ALA 41 HA ALA 41 -2.178 -13.392 9.509 306 HB1 ALA 41 HB1 ALA 41 -0.632 -13.767 11.872 307 HB2 ALA 41 HB2 ALA 41 -2.375 -13.532 11.732 308 HB3 ALA 41 HB3 ALA 41 -1.309 -12.139 11.918 309 H LYS 42 H LYS 42 0.674 -11.488 10.530 310 HA LYS 42 HA LYS 42 -0.486 -8.967 10.025 311 HB2 LYS 42 HB2 LYS 42 2.418 -9.810 10.071 312 HB3 LYS 42 HB3 LYS 42 1.864 -8.137 10.042 313 HG2 LYS 42 HG2 LYS 42 0.580 -8.567 12.139 314 HG3 LYS 42 HG3 LYS 42 1.268 -10.191 12.190 315 HD2 LYS 42 HD2 LYS 42 3.552 -9.176 12.209 316 HD3 LYS 42 HD3 LYS 42 2.806 -7.580 12.298 317 HE2 LYS 42 HE2 LYS 42 2.414 -9.809 14.317 318 HE3 LYS 42 HE3 LYS 42 3.447 -8.397 14.544 319 HZ1 LYS 42 HZ1 LYS 42 0.525 -8.581 14.504 320 HZ2 LYS 42 HZ2 LYS 42 1.242 -7.157 13.917 321 HZ3 LYS 42 HZ3 LYS 42 1.537 -7.665 15.511 322 H GLN 43 H GLN 43 1.249 -11.224 7.966 323 HA GLN 43 HA GLN 43 1.878 -9.582 5.809 324 HB2 GLN 43 HB2 GLN 43 2.553 -11.979 6.080 325 HB3 GLN 43 HB3 GLN 43 0.912 -12.442 5.624 326 HG2 GLN 43 HG2 GLN 43 1.191 -11.190 3.486 327 HG3 GLN 43 HG3 GLN 43 2.862 -10.852 3.934 328 HE21 GLN 43 HE21 GLN 43 2.404 -13.819 5.239 329 HE22 GLN 43 HE22 GLN 43 2.863 -14.799 3.932 330 H LYS 44 H LYS 44 -1.178 -11.199 6.593 331 HA LYS 44 HA LYS 44 -2.545 -10.650 4.202 332 HB2 LYS 44 HB2 LYS 44 -3.594 -10.903 7.031 333 HB3 LYS 44 HB3 LYS 44 -4.608 -10.880 5.587 334 HG2 LYS 44 HG2 LYS 44 -3.343 -12.852 4.719 335 HG3 LYS 44 HG3 LYS 44 -2.452 -12.909 6.240 336 HD2 LYS 44 HD2 LYS 44 -4.617 -13.152 7.456 337 HD3 LYS 44 HD3 LYS 44 -5.449 -13.217 5.902 338 HE2 LYS 44 HE2 LYS 44 -4.370 -15.255 5.295 339 HE3 LYS 44 HE3 LYS 44 -3.196 -15.107 6.602 340 HZ1 LYS 44 HZ1 LYS 44 -4.781 -15.625 8.193 341 HZ2 LYS 44 HZ2 LYS 44 -5.169 -16.679 6.919 342 HZ3 LYS 44 HZ3 LYS 44 -6.088 -15.273 7.170 343 H GLN 45 H GLN 45 -2.107 -8.716 7.133 344 HA GLN 45 HA GLN 45 -3.883 -6.626 6.485 345 HB2 GLN 45 HB2 GLN 45 -2.839 -7.002 8.728 346 HB3 GLN 45 HB3 GLN 45 -1.315 -6.406 8.068 347 HG2 GLN 45 HG2 GLN 45 -2.458 -4.278 7.448 348 HG3 GLN 45 HG3 GLN 45 -3.924 -4.872 8.225 349 HE21 GLN 45 HE21 GLN 45 -1.589 -6.188 10.106 350 HE22 GLN 45 HE22 GLN 45 -1.384 -4.948 11.246 351 H HIS 46 H HIS 46 -0.458 -7.130 5.730 352 HA HIS 46 HA HIS 46 0.059 -4.610 4.591 353 HB2 HIS 46 HB2 HIS 46 1.819 -6.242 5.187 354 HB3 HIS 46 HB3 HIS 46 1.293 -7.274 3.856 355 HD1 HIS 46 HD1 HIS 46 2.194 -6.735 1.564 356 HD2 HIS 46 HD2 HIS 46 2.814 -3.620 4.264 357 HE1 HIS 46 HE1 HIS 46 3.640 -5.031 0.372 358 H GLN 47 H GLN 47 -1.056 -7.645 3.107 359 HA GLN 47 HA GLN 47 -1.096 -6.733 0.446 360 HB2 GLN 47 HB2 GLN 47 -2.410 -8.953 1.948 361 HB3 GLN 47 HB3 GLN 47 -3.050 -8.545 0.358 362 HG2 GLN 47 HG2 GLN 47 -1.387 -10.229 0.003 363 HG3 GLN 47 HG3 GLN 47 -0.664 -8.712 -0.520 364 HE21 GLN 47 HE21 GLN 47 0.708 -11.182 0.505 365 HE22 GLN 47 HE22 GLN 47 1.611 -10.670 1.847 366 H LYS 48 H LYS 48 -3.484 -6.517 3.040 367 HA LYS 48 HA LYS 48 -5.658 -5.600 1.504 368 HB2 LYS 48 HB2 LYS 48 -5.799 -6.350 3.880 369 HB3 LYS 48 HB3 LYS 48 -4.990 -4.859 4.363 370 HG2 LYS 48 HG2 LYS 48 -6.808 -3.548 3.295 371 HG3 LYS 48 HG3 LYS 48 -7.631 -5.053 2.886 372 HD2 LYS 48 HD2 LYS 48 -7.665 -5.630 5.328 373 HD3 LYS 48 HD3 LYS 48 -7.002 -4.031 5.670 374 HE2 LYS 48 HE2 LYS 48 -9.558 -4.457 4.104 375 HE3 LYS 48 HE3 LYS 48 -9.528 -4.197 5.848 376 HZ1 LYS 48 HZ1 LYS 48 -9.548 -2.042 5.357 377 HZ2 LYS 48 HZ2 LYS 48 -9.185 -2.313 3.719 378 HZ3 LYS 48 HZ3 LYS 48 -7.936 -2.224 4.866 379 H ASP 49 H ASP 49 -3.122 -3.805 3.245 380 HA ASP 49 HA ASP 49 -4.038 -1.223 2.496 381 HB2 ASP 49 HB2 ASP 49 -1.305 -2.199 3.349 382 HB3 ASP 49 HB3 ASP 49 -1.734 -0.502 3.151 383 H PHE 50 H PHE 50 -1.696 -3.470 1.094 384 HA PHE 50 HA PHE 50 -0.666 -1.782 -0.909 385 HB2 PHE 50 HB2 PHE 50 0.335 -3.956 -0.256 386 HB3 PHE 50 HB3 PHE 50 -1.029 -4.786 -1.004 387 HD1 PHE 50 HD1 PHE 50 1.967 -2.714 -1.629 388 HD2 PHE 50 HD2 PHE 50 -1.276 -4.895 -3.415 389 HE1 PHE 50 HE1 PHE 50 3.086 -2.575 -3.837 390 HE2 PHE 50 HE2 PHE 50 -0.154 -4.756 -5.622 391 HZ PHE 50 HZ PHE 50 2.026 -3.595 -5.833 392 H MET 51 H MET 51 -3.383 -4.074 -0.962 393 HA MET 51 HA MET 51 -4.081 -3.740 -3.667 394 HB2 MET 51 HB2 MET 51 -4.911 -5.537 -2.100 395 HB3 MET 51 HB3 MET 51 -5.992 -4.331 -1.401 396 HG2 MET 51 HG2 MET 51 -7.338 -5.341 -3.039 397 HG3 MET 51 HG3 MET 51 -6.727 -3.908 -3.864 398 HE1 MET 51 HE1 MET 51 -6.813 -6.453 -6.740 399 HE2 MET 51 HE2 MET 51 -7.141 -4.793 -6.248 400 HE3 MET 51 HE3 MET 51 -7.963 -6.124 -5.437 401 H THR 52 H THR 52 -5.052 -1.977 -0.756 402 HA THR 52 HA THR 52 -7.067 -0.386 -1.918 403 HB THR 52 HB THR 52 -5.216 0.349 0.362 404 HG1 THR 52 HG1 THR 52 -6.380 -0.941 1.548 405 HG21 THR 52 HG21 THR 52 -6.428 2.236 0.467 406 HG22 THR 52 HG22 THR 52 -7.895 1.276 0.657 407 HG23 THR 52 HG23 THR 52 -7.344 1.734 -0.954 408 H TYR 53 H TYR 53 -3.570 0.079 -1.639 409 HA TYR 53 HA TYR 53 -3.429 2.722 -2.572 410 HB2 TYR 53 HB2 TYR 53 -1.547 1.457 -1.522 411 HB3 TYR 53 HB3 TYR 53 -1.389 0.533 -3.016 412 HD1 TYR 53 HD1 TYR 53 -1.112 3.904 -1.508 413 HD2 TYR 53 HD2 TYR 53 -0.423 1.504 -5.002 414 HE1 TYR 53 HE1 TYR 53 0.259 5.723 -2.485 415 HE2 TYR 53 HE2 TYR 53 0.949 3.324 -5.980 416 HH TYR 53 HH TYR 53 1.323 5.647 -5.791 417 H ALA 54 H ALA 54 -3.597 -0.352 -4.292 418 HA ALA 54 HA ALA 54 -2.948 0.523 -6.868 419 HB1 ALA 54 HB1 ALA 54 -5.074 -1.542 -6.344 420 HB2 ALA 54 HB2 ALA 54 -3.377 -1.871 -6.000 421 HB3 ALA 54 HB3 ALA 54 -3.886 -1.489 -7.645 422 H PHE 55 H PHE 55 -5.887 0.882 -5.005 423 HA PHE 55 HA PHE 55 -7.392 1.834 -7.318 424 HB2 PHE 55 HB2 PHE 55 -8.115 1.486 -4.404 425 HB3 PHE 55 HB3 PHE 55 -9.213 2.168 -5.603 426 HD1 PHE 55 HD1 PHE 55 -9.615 0.770 -7.758 427 HD2 PHE 55 HD2 PHE 55 -7.987 -0.846 -4.127 428 HE1 PHE 55 HE1 PHE 55 -10.246 -1.512 -8.492 429 HE2 PHE 55 HE2 PHE 55 -8.621 -3.129 -4.861 430 HZ PHE 55 HZ PHE 55 -9.748 -3.463 -7.043 431 H GLY 56 H GLY 56 -5.027 3.181 -5.636 432 HA2 GLY 56 HA2 GLY 56 -4.420 5.463 -5.810 433 HA3 GLY 56 HA3 GLY 56 -6.123 5.879 -5.982 434 H GLY 57 H GLY 57 -5.334 3.632 -3.504 435 HA2 GLY 57 HA2 GLY 57 -6.469 5.078 -1.417 436 HA3 GLY 57 HA3 GLY 57 -5.315 3.765 -1.205 437 H THR 58 H THR 58 -5.539 7.236 -1.889 438 HA THR 58 HA THR 58 -2.832 7.596 -0.767 439 HB THR 58 HB THR 58 -2.779 9.723 -1.942 440 HG1 THR 58 HG1 THR 58 -5.384 9.039 -2.828 441 HG21 THR 58 HG21 THR 58 -2.076 8.522 -3.706 442 HG22 THR 58 HG22 THR 58 -3.746 8.409 -4.262 443 HG23 THR 58 HG23 THR 58 -3.081 7.161 -3.208 444 H ASP 59 H ASP 59 -5.372 7.222 0.746 445 HA ASP 59 HA ASP 59 -6.426 9.563 1.791 446 HB2 ASP 59 HB2 ASP 59 -5.893 6.910 3.138 447 HB3 ASP 59 HB3 ASP 59 -6.842 8.204 3.867 448 H ARG 60 H ARG 60 -3.415 7.904 2.631 449 HA ARG 60 HA ARG 60 -2.259 10.306 3.657 450 HB2 ARG 60 HB2 ARG 60 -3.736 9.701 5.566 451 HB3 ARG 60 HB3 ARG 60 -2.893 8.157 5.692 452 HG2 ARG 60 HG2 ARG 60 -0.773 9.318 6.103 453 HG3 ARG 60 HG3 ARG 60 -1.574 10.879 5.916 454 HD2 ARG 60 HD2 ARG 60 -1.408 10.436 8.279 455 HD3 ARG 60 HD3 ARG 60 -3.096 10.232 7.819 456 HE ARG 60 HE ARG 60 -2.138 7.715 7.593 457 HH11 ARG 60 HH11 ARG 60 -1.870 10.151 10.035 458 HH12 ARG 60 HH12 ARG 60 -1.761 9.022 11.345 459 HH21 ARG 60 HH21 ARG 60 -1.996 6.228 9.305 460 HH22 ARG 60 HH22 ARG 60 -1.832 6.801 10.931 461 H PHE 61 H PHE 61 -0.788 9.533 1.999 462 HA PHE 61 HA PHE 61 1.087 7.516 3.072 463 HB2 PHE 61 HB2 PHE 61 0.109 7.816 0.227 464 HB3 PHE 61 HB3 PHE 61 1.529 6.869 0.671 465 HD1 PHE 61 HD1 PHE 61 -2.120 7.254 1.379 466 HD2 PHE 61 HD2 PHE 61 1.303 4.661 1.473 467 HE1 PHE 61 HE1 PHE 61 -3.581 5.345 1.991 468 HE2 PHE 61 HE2 PHE 61 -0.158 2.753 2.085 469 HZ PHE 61 HZ PHE 61 -2.601 3.095 2.343 470 HA PRO 62 HA PRO 62 3.136 11.652 2.369 471 HB2 PRO 62 HB2 PRO 62 4.801 10.517 4.558 472 HB3 PRO 62 HB3 PRO 62 4.093 12.135 4.399 473 HG2 PRO 62 HG2 PRO 62 3.106 10.315 6.091 474 HG3 PRO 62 HG3 PRO 62 2.072 11.483 5.250 475 HD2 PRO 62 HD2 PRO 62 2.428 8.565 4.726 476 HD3 PRO 62 HD3 PRO 62 0.991 9.588 4.500 477 H GLY 63 H GLY 63 4.444 8.397 2.838 478 HA2 GLY 63 HA2 GLY 63 5.910 7.247 1.424 479 HA3 GLY 63 HA3 GLY 63 6.205 8.746 0.548 480 H ARG 64 H ARG 64 6.446 9.316 3.837 481 HA ARG 64 HA ARG 64 9.379 9.313 3.665 482 HB2 ARG 64 HB2 ARG 64 7.467 10.652 5.592 483 HB3 ARG 64 HB3 ARG 64 9.224 10.738 5.720 484 HG2 ARG 64 HG2 ARG 64 7.913 11.463 3.119 485 HG3 ARG 64 HG3 ARG 64 7.903 12.629 4.441 486 HD2 ARG 64 HD2 ARG 64 10.374 11.305 3.282 487 HD3 ARG 64 HD3 ARG 64 9.863 12.962 2.980 488 HE ARG 64 HE ARG 64 11.056 11.932 5.436 489 HH11 ARG 64 HH11 ARG 64 9.359 14.458 3.789 490 HH12 ARG 64 HH12 ARG 64 9.800 15.686 4.928 491 HH21 ARG 64 HH21 ARG 64 11.637 13.538 6.935 492 HH22 ARG 64 HH22 ARG 64 11.088 15.165 6.710 493 H SER 65 H SER 65 7.070 8.776 6.326 494 HA SER 65 HA SER 65 8.788 7.202 7.882 495 HB2 SER 65 HB2 SER 65 5.766 7.102 7.816 496 HB3 SER 65 HB3 SER 65 6.802 6.563 9.134 497 HG SER 65 HG SER 65 5.944 8.715 9.388 498 H MET 66 H MET 66 6.606 6.340 5.267 499 HA MET 66 HA MET 66 6.443 3.580 5.651 500 HB2 MET 66 HB2 MET 66 6.529 5.144 3.059 501 HB3 MET 66 HB3 MET 66 6.018 3.461 3.209 502 HG2 MET 66 HG2 MET 66 4.731 5.799 4.652 503 HG3 MET 66 HG3 MET 66 4.084 5.024 3.205 504 HE1 MET 66 HE1 MET 66 2.822 4.133 7.215 505 HE2 MET 66 HE2 MET 66 2.639 5.442 6.051 506 HE3 MET 66 HE3 MET 66 4.177 5.218 6.879 507 H ARG 67 H ARG 67 8.984 5.531 4.164 508 HA ARG 67 HA ARG 67 10.479 3.462 2.994 509 HB2 ARG 67 HB2 ARG 67 11.400 6.086 4.190 510 HB3 ARG 67 HB3 ARG 67 12.401 5.035 3.187 511 HG2 ARG 67 HG2 ARG 67 10.709 5.218 1.365 512 HG3 ARG 67 HG3 ARG 67 9.799 6.353 2.362 513 HD2 ARG 67 HD2 ARG 67 11.870 7.789 2.468 514 HD3 ARG 67 HD3 ARG 67 12.605 6.714 1.283 515 HE ARG 67 HE ARG 67 10.062 7.671 0.384 516 HH11 ARG 67 HH11 ARG 67 13.390 8.509 0.832 517 HH12 ARG 67 HH12 ARG 67 13.409 9.686 -0.439 518 HH21 ARG 67 HH21 ARG 67 10.079 9.213 -1.285 519 HH22 ARG 67 HH22 ARG 67 11.534 10.085 -1.637 520 H ALA 68 H ALA 68 10.416 4.713 6.295 521 HA ALA 68 HA ALA 68 12.676 3.303 7.257 522 HB1 ALA 68 HB1 ALA 68 11.250 5.235 8.330 523 HB2 ALA 68 HB2 ALA 68 12.055 4.052 9.362 524 HB3 ALA 68 HB3 ALA 68 10.332 3.898 9.023 525 H ALA 69 H ALA 69 9.266 2.457 6.953 526 HA ALA 69 HA ALA 69 9.322 0.083 8.484 527 HB1 ALA 69 HB1 ALA 69 7.499 1.369 6.573 528 HB2 ALA 69 HB2 ALA 69 7.141 0.505 8.068 529 HB3 ALA 69 HB3 ALA 69 7.409 -0.392 6.574 530 H HIS 70 H HIS 70 10.039 0.752 5.092 531 HA HIS 70 HA HIS 70 10.501 -2.073 4.529 532 HB2 HIS 70 HB2 HIS 70 10.830 0.382 2.787 533 HB3 HIS 70 HB3 HIS 70 10.981 -1.287 2.240 534 HD1 HIS 70 HD1 HIS 70 8.482 1.322 3.071 535 HD2 HIS 70 HD2 HIS 70 8.485 -2.778 2.318 536 HE1 HIS 70 HE1 HIS 70 6.069 0.666 2.669 537 H GLN 71 H GLN 71 12.253 0.685 5.554 538 HA GLN 71 HA GLN 71 14.800 0.202 4.488 539 HB2 GLN 71 HB2 GLN 71 14.093 2.255 5.740 540 HB3 GLN 71 HB3 GLN 71 14.190 1.318 7.232 541 HG2 GLN 71 HG2 GLN 71 16.562 0.840 6.796 542 HG3 GLN 71 HG3 GLN 71 16.474 1.743 5.284 543 HE21 GLN 71 HE21 GLN 71 18.340 2.686 7.052 544 HE22 GLN 71 HE22 GLN 71 17.800 4.107 7.810 545 H ASP 72 H ASP 72 13.177 -1.162 7.314 546 HA ASP 72 HA ASP 72 15.350 -2.432 8.525 547 HB2 ASP 72 HB2 ASP 72 12.445 -3.255 8.370 548 HB3 ASP 72 HB3 ASP 72 13.631 -4.028 9.419 549 H LEU 73 H LEU 73 13.263 -3.510 5.872 550 HA LEU 73 HA LEU 73 14.296 -6.134 5.660 551 HB2 LEU 73 HB2 LEU 73 13.117 -4.387 3.483 552 HB3 LEU 73 HB3 LEU 73 13.288 -6.142 3.430 553 HG LEU 73 HG LEU 73 11.610 -4.576 5.414 554 HD11 LEU 73 HD11 LEU 73 10.047 -4.699 3.794 555 HD12 LEU 73 HD12 LEU 73 10.068 -6.451 4.001 556 HD13 LEU 73 HD13 LEU 73 11.095 -5.693 2.782 557 HD21 LEU 73 HD21 LEU 73 12.464 -7.440 5.223 558 HD22 LEU 73 HD22 LEU 73 10.824 -7.096 5.776 559 HD23 LEU 73 HD23 LEU 73 12.208 -6.442 6.655 560 H VAL 74 H VAL 74 15.294 -3.051 4.276 561 HA VAL 74 HA VAL 74 17.199 -4.059 2.444 562 HB VAL 74 HB VAL 74 16.997 -1.390 3.851 563 HG11 VAL 74 HG11 VAL 74 18.510 -0.671 1.917 564 HG12 VAL 74 HG12 VAL 74 18.849 -2.384 1.675 565 HG13 VAL 74 HG13 VAL 74 19.285 -1.606 3.196 566 HG21 VAL 74 HG21 VAL 74 16.577 -1.485 0.973 567 HG22 VAL 74 HG22 VAL 74 15.510 -0.865 2.234 568 HG23 VAL 74 HG23 VAL 74 15.475 -2.577 1.812 569 H GLU 75 H GLU 75 17.415 -3.161 5.856 570 HA GLU 75 HA GLU 75 20.208 -3.232 6.127 571 HB2 GLU 75 HB2 GLU 75 18.042 -3.899 8.133 572 HB3 GLU 75 HB3 GLU 75 19.742 -3.666 8.537 573 HG2 GLU 75 HG2 GLU 75 17.987 -1.603 7.177 574 HG3 GLU 75 HG3 GLU 75 18.405 -1.599 8.890 575 H ASN 76 H ASN 76 17.800 -5.823 6.252 576 HA ASN 76 HA ASN 76 20.011 -7.770 6.514 577 HB2 ASN 76 HB2 ASN 76 17.075 -8.063 7.189 578 HB3 ASN 76 HB3 ASN 76 18.272 -9.352 7.308 579 HD21 ASN 76 HD21 ASN 76 16.850 -8.430 9.619 580 HD22 ASN 76 HD22 ASN 76 17.958 -7.662 10.651 581 H ALA 77 H ALA 77 16.733 -7.610 5.101 582 HA ALA 77 HA ALA 77 17.354 -9.576 3.105 583 HB1 ALA 77 HB1 ALA 77 15.124 -9.560 2.665 584 HB2 ALA 77 HB2 ALA 77 15.028 -7.800 2.682 585 HB3 ALA 77 HB3 ALA 77 15.036 -8.696 4.200 586 H GLY 78 H GLY 78 17.619 -9.291 0.890 587 HA2 GLY 78 HA2 GLY 78 18.580 -6.616 0.111 588 HA3 GLY 78 HA3 GLY 78 18.997 -8.129 -0.689 589 H LEU 79 H LEU 79 16.500 -5.699 -0.258 590 HA LEU 79 HA LEU 79 14.915 -6.889 -2.430 591 HB2 LEU 79 HB2 LEU 79 13.787 -6.228 -0.291 592 HB3 LEU 79 HB3 LEU 79 14.219 -4.556 -0.633 593 HG LEU 79 HG LEU 79 13.049 -4.950 -2.925 594 HD11 LEU 79 HD11 LEU 79 12.739 -7.328 -2.874 595 HD12 LEU 79 HD12 LEU 79 11.142 -6.619 -2.650 596 HD13 LEU 79 HD13 LEU 79 12.019 -7.266 -1.266 597 HD21 LEU 79 HD21 LEU 79 11.623 -4.746 -0.264 598 HD22 LEU 79 HD22 LEU 79 10.788 -4.537 -1.803 599 HD23 LEU 79 HD23 LEU 79 12.086 -3.435 -1.348 600 H THR 80 H THR 80 14.874 -6.029 -4.412 601 HA THR 80 HA THR 80 16.015 -3.327 -4.782 602 HB THR 80 HB THR 80 17.037 -4.051 -6.848 603 HG1 THR 80 HG1 THR 80 16.079 -6.647 -6.277 604 HG21 THR 80 HG21 THR 80 18.647 -5.705 -5.971 605 HG22 THR 80 HG22 THR 80 17.563 -6.039 -4.621 606 HG23 THR 80 HG23 THR 80 18.310 -4.450 -4.779 607 H ASP 81 H ASP 81 15.360 -2.390 -6.956 608 HA ASP 81 HA ASP 81 12.619 -2.002 -7.057 609 HB2 ASP 81 HB2 ASP 81 14.718 -1.651 -9.198 610 HB3 ASP 81 HB3 ASP 81 13.052 -1.106 -9.375 611 H VAL 82 H VAL 82 14.576 -4.388 -8.797 612 HA VAL 82 HA VAL 82 12.738 -5.230 -10.700 613 HB VAL 82 HB VAL 82 15.181 -6.003 -10.271 614 HG11 VAL 82 HG11 VAL 82 13.760 -8.270 -8.875 615 HG12 VAL 82 HG12 VAL 82 14.453 -6.929 -7.968 616 HG13 VAL 82 HG13 VAL 82 15.492 -7.947 -8.961 617 HG21 VAL 82 HG21 VAL 82 13.893 -6.770 -12.178 618 HG22 VAL 82 HG22 VAL 82 12.960 -7.867 -11.161 619 HG23 VAL 82 HG23 VAL 82 14.672 -8.173 -11.449 620 H HIS 83 H HIS 83 12.981 -6.145 -7.284 621 HA HIS 83 HA HIS 83 11.089 -8.214 -7.274 622 HB2 HIS 83 HB2 HIS 83 11.842 -6.222 -5.126 623 HB3 HIS 83 HB3 HIS 83 10.800 -7.618 -4.848 624 HD2 HIS 83 HD2 HIS 83 12.140 -10.165 -5.084 625 HE1 HIS 83 HE1 HIS 83 16.030 -8.524 -5.132 626 HE2 HIS 83 HE2 HIS 83 14.697 -10.675 -4.928 627 H PHE 84 H PHE 84 10.683 -4.709 -6.934 628 HA PHE 84 HA PHE 84 7.952 -4.654 -6.315 629 HB2 PHE 84 HB2 PHE 84 9.468 -2.683 -6.241 630 HB3 PHE 84 HB3 PHE 84 9.487 -2.664 -8.005 631 HD1 PHE 84 HD1 PHE 84 7.376 -2.203 -5.000 632 HD2 PHE 84 HD2 PHE 84 7.582 -1.905 -9.280 633 HE1 PHE 84 HE1 PHE 84 5.259 -0.913 -5.012 634 HE2 PHE 84 HE2 PHE 84 5.464 -0.614 -9.291 635 HZ PHE 84 HZ PHE 84 4.302 -0.118 -7.157 636 H ASP 85 H ASP 85 9.608 -4.721 -9.447 637 HA ASP 85 HA ASP 85 7.313 -4.497 -11.072 638 HB2 ASP 85 HB2 ASP 85 9.673 -4.209 -11.847 639 HB3 ASP 85 HB3 ASP 85 9.881 -5.955 -11.725 640 H ALA 86 H ALA 86 8.877 -7.264 -9.549 641 HA ALA 86 HA ALA 86 7.588 -9.325 -10.945 642 HB1 ALA 86 HB1 ALA 86 9.517 -9.569 -9.342 643 HB2 ALA 86 HB2 ALA 86 8.231 -10.758 -9.133 644 HB3 ALA 86 HB3 ALA 86 8.359 -9.393 -8.025 645 H ILE 87 H ILE 87 6.724 -8.085 -7.694 646 HA ILE 87 HA ILE 87 4.256 -9.451 -7.583 647 HB ILE 87 HB ILE 87 5.527 -8.433 -5.636 648 HG12 ILE 87 HG12 ILE 87 2.620 -7.602 -5.793 649 HG13 ILE 87 HG13 ILE 87 3.123 -9.282 -5.610 650 HG21 ILE 87 HG21 ILE 87 4.068 -5.921 -6.498 651 HG22 ILE 87 HG22 ILE 87 5.792 -6.190 -6.757 652 HG23 ILE 87 HG23 ILE 87 5.150 -6.105 -5.118 653 HD11 ILE 87 HD11 ILE 87 2.791 -7.393 -3.554 654 HD12 ILE 87 HD12 ILE 87 4.534 -7.586 -3.731 655 HD13 ILE 87 HD13 ILE 87 3.521 -8.993 -3.412 656 H ALA 88 H ALA 88 5.202 -6.460 -9.075 657 HA ALA 88 HA ALA 88 2.673 -5.218 -9.265 658 HB1 ALA 88 HB1 ALA 88 3.661 -3.826 -10.948 659 HB2 ALA 88 HB2 ALA 88 4.914 -5.020 -11.284 660 HB3 ALA 88 HB3 ALA 88 4.912 -4.153 -9.748 661 H GLU 89 H GLU 89 4.352 -7.513 -11.391 662 HA GLU 89 HA GLU 89 2.423 -7.497 -13.466 663 HB2 GLU 89 HB2 GLU 89 4.432 -9.596 -12.626 664 HB3 GLU 89 HB3 GLU 89 3.457 -9.696 -14.093 665 HG2 GLU 89 HG2 GLU 89 4.391 -7.526 -14.844 666 HG3 GLU 89 HG3 GLU 89 5.399 -7.474 -13.400 667 H ASN 90 H ASN 90 2.735 -9.359 -10.489 668 HA ASN 90 HA ASN 90 0.791 -11.317 -10.987 669 HB2 ASN 90 HB2 ASN 90 1.606 -10.008 -8.383 670 HB3 ASN 90 HB3 ASN 90 0.609 -11.456 -8.503 671 HD21 ASN 90 HD21 ASN 90 3.149 -11.528 -7.194 672 HD22 ASN 90 HD22 ASN 90 4.203 -12.480 -8.123 673 H LEU 91 H LEU 91 0.503 -8.007 -9.789 674 HA LEU 91 HA LEU 91 -2.214 -8.093 -9.041 675 HB2 LEU 91 HB2 LEU 91 -0.609 -6.255 -8.470 676 HB3 LEU 91 HB3 LEU 91 -0.691 -5.721 -10.148 677 HG LEU 91 HG LEU 91 -3.233 -5.599 -9.834 678 HD11 LEU 91 HD11 LEU 91 -4.105 -6.257 -7.868 679 HD12 LEU 91 HD12 LEU 91 -3.134 -5.051 -7.027 680 HD13 LEU 91 HD13 LEU 91 -2.493 -6.672 -7.289 681 HD21 LEU 91 HD21 LEU 91 -1.941 -3.572 -9.958 682 HD22 LEU 91 HD22 LEU 91 -1.339 -3.788 -8.314 683 HD23 LEU 91 HD23 LEU 91 -3.038 -3.400 -8.588 684 H VAL 92 H VAL 92 -0.629 -7.425 -12.134 685 HA VAL 92 HA VAL 92 -2.935 -6.614 -13.554 686 HB VAL 92 HB VAL 92 -0.365 -7.902 -14.499 687 HG11 VAL 92 HG11 VAL 92 -1.440 -6.459 -16.603 688 HG12 VAL 92 HG12 VAL 92 -2.856 -7.242 -15.903 689 HG13 VAL 92 HG13 VAL 92 -1.488 -8.214 -16.442 690 HG21 VAL 92 HG21 VAL 92 -1.333 -5.030 -14.632 691 HG22 VAL 92 HG22 VAL 92 0.264 -5.629 -15.078 692 HG23 VAL 92 HG23 VAL 92 -0.242 -5.646 -13.390 693 H LEU 93 H LEU 93 -1.403 -9.792 -13.132 694 HA LEU 93 HA LEU 93 -3.144 -11.230 -14.831 695 HB2 LEU 93 HB2 LEU 93 -1.658 -12.225 -12.386 696 HB3 LEU 93 HB3 LEU 93 -2.306 -13.221 -13.690 697 HG LEU 93 HG LEU 93 -0.146 -11.109 -13.966 698 HD11 LEU 93 HD11 LEU 93 0.872 -13.006 -13.005 699 HD12 LEU 93 HD12 LEU 93 1.121 -13.243 -14.734 700 HD13 LEU 93 HD13 LEU 93 -0.160 -14.123 -13.899 701 HD21 LEU 93 HD21 LEU 93 -1.761 -12.693 -15.931 702 HD22 LEU 93 HD22 LEU 93 -0.064 -12.384 -16.299 703 HD23 LEU 93 HD23 LEU 93 -1.171 -11.035 -16.048 704 H THR 94 H THR 94 -3.340 -10.330 -11.429 705 HA THR 94 HA THR 94 -5.477 -11.971 -10.654 706 HB THR 94 HB THR 94 -4.898 -9.159 -9.694 707 HG1 THR 94 HG1 THR 94 -3.118 -10.059 -9.065 708 HG21 THR 94 HG21 THR 94 -6.244 -11.520 -8.353 709 HG22 THR 94 HG22 THR 94 -7.076 -10.099 -8.985 710 HG23 THR 94 HG23 THR 94 -5.964 -9.939 -7.625 711 H LEU 95 H LEU 95 -5.458 -8.760 -12.165 712 HA LEU 95 HA LEU 95 -8.255 -8.331 -12.071 713 HB2 LEU 95 HB2 LEU 95 -6.239 -7.270 -14.069 714 HB3 LEU 95 HB3 LEU 95 -7.850 -6.616 -13.774 715 HG LEU 95 HG LEU 95 -5.592 -6.765 -11.753 716 HD11 LEU 95 HD11 LEU 95 -6.872 -4.483 -13.281 717 HD12 LEU 95 HD12 LEU 95 -5.184 -4.993 -13.333 718 HD13 LEU 95 HD13 LEU 95 -5.835 -4.244 -11.875 719 HD21 LEU 95 HD21 LEU 95 -7.466 -6.929 -10.396 720 HD22 LEU 95 HD22 LEU 95 -8.509 -6.111 -11.560 721 HD23 LEU 95 HD23 LEU 95 -7.379 -5.177 -10.578 722 H GLN 96 H GLN 96 -6.163 -9.984 -14.376 723 HA GLN 96 HA GLN 96 -7.983 -10.267 -16.497 724 HB2 GLN 96 HB2 GLN 96 -5.787 -12.149 -15.597 725 HB3 GLN 96 HB3 GLN 96 -6.592 -12.200 -17.166 726 HG2 GLN 96 HG2 GLN 96 -5.127 -9.767 -16.111 727 HG3 GLN 96 HG3 GLN 96 -4.390 -10.966 -17.172 728 HE21 GLN 96 HE21 GLN 96 -4.799 -10.777 -19.408 729 HE22 GLN 96 HE22 GLN 96 -5.885 -9.659 -20.080 730 H GLU 97 H GLU 97 -7.525 -12.135 -13.543 731 HA GLU 97 HA GLU 97 -9.213 -14.309 -14.194 732 HB2 GLU 97 HB2 GLU 97 -8.494 -13.111 -11.508 733 HB3 GLU 97 HB3 GLU 97 -9.315 -14.657 -11.730 734 HG2 GLU 97 HG2 GLU 97 -7.395 -15.459 -13.086 735 HG3 GLU 97 HG3 GLU 97 -6.567 -13.932 -12.785 736 H LEU 98 H LEU 98 -9.836 -11.092 -12.964 737 HA LEU 98 HA LEU 98 -12.592 -11.643 -12.281 738 HB2 LEU 98 HB2 LEU 98 -11.178 -8.982 -12.577 739 HB3 LEU 98 HB3 LEU 98 -12.725 -9.265 -11.781 740 HG LEU 98 HG LEU 98 -10.039 -10.385 -10.925 741 HD11 LEU 98 HD11 LEU 98 -9.927 -8.344 -9.934 742 HD12 LEU 98 HD12 LEU 98 -11.125 -8.996 -8.816 743 HD13 LEU 98 HD13 LEU 98 -11.641 -8.023 -10.193 744 HD21 LEU 98 HD21 LEU 98 -12.871 -10.936 -10.087 745 HD22 LEU 98 HD22 LEU 98 -11.590 -11.001 -8.877 746 HD23 LEU 98 HD23 LEU 98 -11.529 -12.064 -10.283 747 H ASN 99 H ASN 99 -11.042 -11.382 -15.165 748 HA ASN 99 HA ASN 99 -11.746 -11.019 -17.323 749 HB2 ASN 99 HB2 ASN 99 -13.700 -12.402 -16.376 750 HB3 ASN 99 HB3 ASN 99 -14.562 -10.869 -16.262 751 HD21 ASN 99 HD21 ASN 99 -15.785 -12.519 -17.981 752 HD22 ASN 99 HD22 ASN 99 -15.420 -12.160 -19.599 753 H VAL 100 H VAL 100 -10.797 -8.803 -16.135 754 HA VAL 100 HA VAL 100 -12.742 -6.652 -16.657 755 HB VAL 100 HB VAL 100 -10.028 -6.510 -15.319 756 HG11 VAL 100 HG11 VAL 100 -10.836 -4.406 -16.396 757 HG12 VAL 100 HG12 VAL 100 -10.749 -4.278 -14.640 758 HG13 VAL 100 HG13 VAL 100 -12.307 -4.510 -15.431 759 HG21 VAL 100 HG21 VAL 100 -12.587 -6.111 -13.840 760 HG22 VAL 100 HG22 VAL 100 -11.064 -6.802 -13.283 761 HG23 VAL 100 HG23 VAL 100 -12.163 -7.769 -14.266 762 H SER 101 H SER 101 -12.418 -5.146 -18.235 763 HA SER 101 HA SER 101 -10.963 -5.783 -20.517 764 HB2 SER 101 HB2 SER 101 -12.815 -4.139 -20.448 765 HB3 SER 101 HB3 SER 101 -11.766 -3.015 -19.589 766 HG SER 101 HG SER 101 -10.372 -3.063 -21.390 767 H GLN 102 H GLN 102 -8.978 -5.263 -21.309 768 HA GLN 102 HA GLN 102 -6.830 -4.924 -19.541 769 HB2 GLN 102 HB2 GLN 102 -6.703 -5.910 -21.839 770 HB3 GLN 102 HB3 GLN 102 -6.847 -4.279 -22.495 771 HG2 GLN 102 HG2 GLN 102 -4.501 -4.771 -22.400 772 HG3 GLN 102 HG3 GLN 102 -4.834 -3.650 -21.081 773 HE21 GLN 102 HE21 GLN 102 -3.299 -4.346 -19.531 774 HE22 GLN 102 HE22 GLN 102 -3.241 -5.925 -18.910 775 H ASP 103 H ASP 103 -8.682 -2.567 -21.403 776 HA ASP 103 HA ASP 103 -7.010 -0.355 -21.219 777 HB2 ASP 103 HB2 ASP 103 -10.028 -0.511 -21.122 778 HB3 ASP 103 HB3 ASP 103 -9.126 0.993 -21.301 779 H LEU 104 H LEU 104 -9.341 -1.601 -18.845 780 HA LEU 104 HA LEU 104 -9.035 0.514 -16.976 781 HB2 LEU 104 HB2 LEU 104 -9.811 -2.370 -16.474 782 HB3 LEU 104 HB3 LEU 104 -10.080 -1.017 -15.375 783 HG LEU 104 HG LEU 104 -11.253 -1.303 -18.158 784 HD11 LEU 104 HD11 LEU 104 -12.684 -2.631 -16.970 785 HD12 LEU 104 HD12 LEU 104 -13.344 -1.086 -16.432 786 HD13 LEU 104 HD13 LEU 104 -12.187 -1.952 -15.421 787 HD21 LEU 104 HD21 LEU 104 -11.148 0.926 -16.161 788 HD22 LEU 104 HD22 LEU 104 -12.634 0.711 -17.086 789 HD23 LEU 104 HD23 LEU 104 -11.110 0.999 -17.923 790 H ILE 105 H ILE 105 -7.343 -2.534 -17.491 791 HA ILE 105 HA ILE 105 -5.818 -2.572 -15.125 792 HB ILE 105 HB ILE 105 -5.127 -3.647 -17.869 793 HG12 ILE 105 HG12 ILE 105 -6.366 -5.003 -15.453 794 HG13 ILE 105 HG13 ILE 105 -7.266 -4.483 -16.877 795 HG21 ILE 105 HG21 ILE 105 -3.669 -5.199 -16.529 796 HG22 ILE 105 HG22 ILE 105 -3.990 -4.198 -15.113 797 HG23 ILE 105 HG23 ILE 105 -3.133 -3.520 -16.497 798 HD11 ILE 105 HD11 ILE 105 -5.710 -6.889 -16.498 799 HD12 ILE 105 HD12 ILE 105 -5.071 -5.962 -17.855 800 HD13 ILE 105 HD13 ILE 105 -6.765 -6.453 -17.842 801 H ASP 106 H ASP 106 -5.266 -1.023 -18.258 802 HA ASP 106 HA ASP 106 -2.610 -0.219 -17.881 803 HB2 ASP 106 HB2 ASP 106 -4.862 1.105 -19.407 804 HB3 ASP 106 HB3 ASP 106 -3.174 1.607 -19.507 805 H GLU 107 H GLU 107 -5.650 1.317 -16.901 806 HA GLU 107 HA GLU 107 -4.498 3.717 -15.918 807 HB2 GLU 107 HB2 GLU 107 -7.077 2.313 -15.180 808 HB3 GLU 107 HB3 GLU 107 -6.646 3.945 -14.669 809 HG2 GLU 107 HG2 GLU 107 -6.435 4.612 -17.053 810 HG3 GLU 107 HG3 GLU 107 -6.944 2.994 -17.532 811 H VAL 108 H VAL 108 -5.134 0.566 -14.474 812 HA VAL 108 HA VAL 108 -4.585 1.271 -11.786 813 HB VAL 108 HB VAL 108 -4.385 -1.377 -13.236 814 HG11 VAL 108 HG11 VAL 108 -4.069 -0.632 -10.325 815 HG12 VAL 108 HG12 VAL 108 -2.998 -1.616 -11.323 816 HG13 VAL 108 HG13 VAL 108 -4.565 -2.251 -10.820 817 HG21 VAL 108 HG21 VAL 108 -6.579 -1.744 -12.563 818 HG22 VAL 108 HG22 VAL 108 -6.619 -0.001 -12.827 819 HG23 VAL 108 HG23 VAL 108 -6.452 -0.642 -11.193 820 H VAL 109 H VAL 109 -2.547 0.130 -14.438 821 HA VAL 109 HA VAL 109 -0.191 -0.336 -12.988 822 HB VAL 109 HB VAL 109 -0.614 0.548 -15.848 823 HG11 VAL 109 HG11 VAL 109 1.802 -0.619 -15.894 824 HG12 VAL 109 HG12 VAL 109 1.855 0.030 -14.255 825 HG13 VAL 109 HG13 VAL 109 1.608 1.114 -15.625 826 HG21 VAL 109 HG21 VAL 109 -0.580 -1.720 -16.381 827 HG22 VAL 109 HG22 VAL 109 -1.385 -1.764 -14.812 828 HG23 VAL 109 HG23 VAL 109 0.331 -2.151 -14.935 829 H THR 110 H THR 110 -1.451 2.627 -14.475 830 HA THR 110 HA THR 110 0.795 4.262 -14.065 831 HB THR 110 HB THR 110 -2.115 5.093 -14.008 832 HG1 THR 110 HG1 THR 110 -0.525 4.092 -15.957 833 HG21 THR 110 HG21 THR 110 -0.695 6.885 -13.261 834 HG22 THR 110 HG22 THR 110 -1.112 7.219 -14.941 835 HG23 THR 110 HG23 THR 110 0.476 6.564 -14.542 836 H ILE 111 H ILE 111 -1.964 3.537 -11.952 837 HA ILE 111 HA ILE 111 -1.380 5.369 -9.905 838 HB ILE 111 HB ILE 111 -2.678 2.642 -9.698 839 HG12 ILE 111 HG12 ILE 111 -3.907 5.401 -9.994 840 HG13 ILE 111 HG13 ILE 111 -3.733 4.246 -11.315 841 HG21 ILE 111 HG21 ILE 111 -2.591 3.072 -7.479 842 HG22 ILE 111 HG22 ILE 111 -3.766 4.349 -7.795 843 HG23 ILE 111 HG23 ILE 111 -2.044 4.727 -7.745 844 HD11 ILE 111 HD11 ILE 111 -5.354 3.885 -8.781 845 HD12 ILE 111 HD12 ILE 111 -5.050 2.593 -9.943 846 HD13 ILE 111 HD13 ILE 111 -5.971 4.017 -10.428 847 H VAL 112 H VAL 112 -0.483 1.927 -10.190 848 HA VAL 112 HA VAL 112 1.258 2.093 -7.878 849 HB VAL 112 HB VAL 112 1.727 -0.261 -8.330 850 HG11 VAL 112 HG11 VAL 112 -0.250 -0.142 -7.118 851 HG12 VAL 112 HG12 VAL 112 -0.817 -0.978 -8.563 852 HG13 VAL 112 HG13 VAL 112 -1.093 0.755 -8.381 853 HG21 VAL 112 HG21 VAL 112 1.885 -0.548 -10.630 854 HG22 VAL 112 HG22 VAL 112 0.477 0.461 -10.956 855 HG23 VAL 112 HG23 VAL 112 0.263 -1.181 -10.346 856 H GLY 113 H GLY 113 1.510 2.538 -11.275 857 HA2 GLY 113 HA2 GLY 113 4.317 1.960 -11.512 858 HA3 GLY 113 HA3 GLY 113 3.310 2.762 -12.713 859 H SER 114 H SER 114 2.985 4.208 -9.678 860 HA SER 114 HA SER 114 4.041 6.680 -10.499 861 HB2 SER 114 HB2 SER 114 3.603 5.651 -7.686 862 HB3 SER 114 HB3 SER 114 3.841 7.337 -8.133 863 HG SER 114 HG SER 114 1.589 6.006 -8.075 864 H VAL 115 H VAL 115 6.017 7.589 -10.374 865 HA VAL 115 HA VAL 115 8.302 5.932 -9.970 866 HB VAL 115 HB VAL 115 8.023 8.922 -10.325 867 HG11 VAL 115 HG11 VAL 115 10.526 8.563 -11.011 868 HG12 VAL 115 HG12 VAL 115 10.412 7.123 -10.000 869 HG13 VAL 115 HG13 VAL 115 10.120 8.716 -9.302 870 HG21 VAL 115 HG21 VAL 115 8.867 6.693 -12.206 871 HG22 VAL 115 HG22 VAL 115 8.803 8.408 -12.611 872 HG23 VAL 115 HG23 VAL 115 7.316 7.532 -12.247 873 H GLN 116 H GLN 116 6.754 8.480 -8.056 874 HA GLN 116 HA GLN 116 8.697 8.778 -6.073 875 HB2 GLN 116 HB2 GLN 116 6.675 10.221 -6.380 876 HB3 GLN 116 HB3 GLN 116 5.703 8.931 -5.669 877 HG2 GLN 116 HG2 GLN 116 7.133 9.025 -3.630 878 HG3 GLN 116 HG3 GLN 116 8.005 10.384 -4.336 879 HE21 GLN 116 HE21 GLN 116 4.981 10.867 -5.487 880 HE22 GLN 116 HE22 GLN 116 4.329 11.816 -4.239 881 H HIS 117 H HIS 117 5.991 6.474 -6.261 882 HA HIS 117 HA HIS 117 6.355 5.329 -3.708 883 HB2 HIS 117 HB2 HIS 117 4.365 5.040 -5.271 884 HB3 HIS 117 HB3 HIS 117 5.338 3.847 -6.133 885 HD1 HIS 117 HD1 HIS 117 5.563 4.227 -2.402 886 HD2 HIS 117 HD2 HIS 117 3.813 1.645 -5.168 887 HE1 HIS 117 HE1 HIS 117 4.732 2.236 -1.087 888 H ARG 118 H ARG 118 7.651 4.427 -6.893 889 HA ARG 118 HA ARG 118 9.018 2.103 -6.114 890 HB2 ARG 118 HB2 ARG 118 8.657 2.795 -8.469 891 HB3 ARG 118 HB3 ARG 118 9.824 4.100 -8.244 892 HG2 ARG 118 HG2 ARG 118 11.557 2.422 -7.652 893 HG3 ARG 118 HG3 ARG 118 10.389 1.134 -7.954 894 HD2 ARG 118 HD2 ARG 118 10.125 1.973 -10.288 895 HD3 ARG 118 HD3 ARG 118 11.382 3.166 -9.972 896 HE ARG 118 HE ARG 118 12.123 0.388 -9.482 897 HH11 ARG 118 HH11 ARG 118 12.052 3.106 -11.624 898 HH12 ARG 118 HH12 ARG 118 13.354 2.537 -12.613 899 HH21 ARG 118 HH21 ARG 118 13.834 -0.364 -10.775 900 HH22 ARG 118 HH22 ARG 118 14.363 0.572 -12.133 901 H ASN 119 H ASN 119 10.003 5.502 -6.084 902 HA ASN 119 HA ASN 119 12.699 5.137 -5.379 903 HB2 ASN 119 HB2 ASN 119 10.809 7.413 -4.750 904 HB3 ASN 119 HB3 ASN 119 12.557 7.472 -4.523 905 HD21 ASN 119 HD21 ASN 119 11.236 9.249 -6.343 906 HD22 ASN 119 HD22 ASN 119 11.713 8.845 -7.921 907 H ASP 120 H ASP 120 9.769 5.271 -3.415 908 HA ASP 120 HA ASP 120 10.946 5.525 -0.887 909 HB2 ASP 120 HB2 ASP 120 8.414 4.102 -1.723 910 HB3 ASP 120 HB3 ASP 120 8.866 4.415 -0.049 911 H VAL 121 H VAL 121 10.384 2.661 -2.889 912 HA VAL 121 HA VAL 121 11.042 0.709 -0.965 913 HB VAL 121 HB VAL 121 11.328 0.698 -3.977 914 HG11 VAL 121 HG11 VAL 121 12.595 -1.149 -3.636 915 HG12 VAL 121 HG12 VAL 121 11.093 -1.923 -3.129 916 HG13 VAL 121 HG13 VAL 121 12.175 -1.224 -1.926 917 HG21 VAL 121 HG21 VAL 121 9.221 -0.396 -3.981 918 HG22 VAL 121 HG22 VAL 121 9.032 0.911 -2.813 919 HG23 VAL 121 HG23 VAL 121 9.304 -0.739 -2.253 920 H LEU 122 H LEU 122 13.044 2.477 -3.296 921 HA LEU 122 HA LEU 122 15.480 1.157 -2.686 922 HB2 LEU 122 HB2 LEU 122 15.007 3.923 -3.824 923 HB3 LEU 122 HB3 LEU 122 16.545 3.060 -3.840 924 HG LEU 122 HG LEU 122 13.981 2.085 -5.137 925 HD11 LEU 122 HD11 LEU 122 14.610 3.590 -6.724 926 HD12 LEU 122 HD12 LEU 122 15.841 2.392 -7.123 927 HD13 LEU 122 HD13 LEU 122 16.239 3.747 -6.066 928 HD21 LEU 122 HD21 LEU 122 16.659 0.889 -4.620 929 HD22 LEU 122 HD22 LEU 122 15.975 0.615 -6.222 930 HD23 LEU 122 HD23 LEU 122 15.089 0.102 -4.786 931 H ASN 123 H ASN 123 13.727 3.739 -1.164 932 HA ASN 123 HA ASN 123 14.083 4.926 0.765 933 HB2 ASN 123 HB2 ASN 123 16.170 2.794 1.292 934 HB3 ASN 123 HB3 ASN 123 15.536 3.929 2.480 935 HD21 ASN 123 HD21 ASN 123 15.297 0.889 2.318 936 HD22 ASN 123 HD22 ASN 123 13.628 0.594 2.405 937 H ARG 124 H ARG 124 15.290 5.921 -1.501 938 HA ARG 124 HA ARG 124 17.859 6.961 -0.463 939 HB2 ARG 124 HB2 ARG 124 17.021 6.675 -3.358 940 HB3 ARG 124 HB3 ARG 124 18.580 7.255 -2.774 941 HG2 ARG 124 HG2 ARG 124 17.504 4.514 -2.077 942 HG3 ARG 124 HG3 ARG 124 18.500 4.806 -3.502 943 HD2 ARG 124 HD2 ARG 124 20.210 5.864 -1.935 944 HD3 ARG 124 HD3 ARG 124 19.262 5.211 -0.602 945 HE ARG 124 HE ARG 124 20.197 3.153 -1.061 946 HH11 ARG 124 HH11 ARG 124 20.310 5.183 -3.860 947 HH12 ARG 124 HH12 ARG 124 21.194 4.044 -4.821 948 HH21 ARG 124 HH21 ARG 124 21.356 1.654 -2.314 949 HH22 ARG 124 HH22 ARG 124 21.785 2.046 -3.946 950 HHA HEB 125 HHA HEB 125 4.268 -2.033 6.838 951 HHB HEB 125 HHB HEB 125 1.935 1.506 2.141 952 HHC HEB 125 HHC HEB 125 5.144 -1.991 -2.063 953 HHD HEB 125 HHD HEB 125 7.414 -5.550 2.611 954 HMA1 HEB 125 HMA1 HEB 125 0.407 1.550 4.666 955 HMA2 HEB 125 HMA2 HEB 125 1.688 2.611 4.081 956 HMA3 HEB 125 HMA3 HEB 125 1.534 2.288 5.802 957 HAA1 HEB 125 HAA1 HEB 125 2.458 -0.916 7.577 958 HAA2 HEB 125 HAA2 HEB 125 1.599 0.579 7.260 959 HBA1 HEB 125 HBA1 HEB 125 3.827 1.771 7.349 960 HBA2 HEB 125 HBA2 HEB 125 4.534 0.256 7.909 961 HMB1 HEB 125 HMB1 HEB 125 2.133 2.678 0.157 962 HMB2 HEB 125 HMB2 HEB 125 0.878 1.576 -0.410 963 HMB3 HEB 125 HMB3 HEB 125 2.061 2.223 -1.546 964 HAB2 HEB 125 HAB2 HEB 125 3.978 -0.585 -3.150 965 HBB1 HEB 125 HBB1 HEB 125 1.911 -0.530 -3.977 966 HBB2 HEB 125 HBB2 HEB 125 1.777 1.186 -3.595 967 HBB3 HEB 125 HBB3 HEB 125 1.318 -0.023 -2.396 968 HMC1 HEB 125 HMC1 HEB 125 5.914 -4.436 -2.860 969 HMC2 HEB 125 HMC2 HEB 125 7.593 -4.836 -2.500 970 HMC3 HEB 125 HMC3 HEB 125 7.125 -3.157 -2.769 971 HAC HEB 125 HAC HEB 125 8.910 -5.689 0.257 972 HBC1 HEB 125 HBC1 HEB 125 6.384 -7.130 -0.792 973 HBC2 HEB 125 HBC2 HEB 125 8.087 -7.848 -0.595 974 HMD1 HEB 125 HMD1 HEB 125 8.445 -5.620 5.393 975 HMD2 HEB 125 HMD2 HEB 125 7.322 -6.667 4.529 976 HMD3 HEB 125 HMD3 HEB 125 7.130 -6.412 6.252 977 HAD1 HEB 125 HAD1 HEB 125 6.128 -5.163 7.704 978 HAD2 HEB 125 HAD2 HEB 125 4.839 -3.986 7.796 979 HBD1 HEB 125 HBD1 HEB 125 6.614 -2.184 7.759 980 HBD2 HEB 125 HBD2 HEB 125 7.812 -3.465 7.934 Start of MODEL 10 1 H1 ALA 2 H1 ALA 2 -21.626 5.851 -1.644 2 H2 ALA 2 H2 ALA 2 -20.560 4.573 -1.989 3 H3 ALA 2 H3 ALA 2 -20.842 5.784 -3.147 4 HA ALA 2 HA ALA 2 -19.033 6.794 -2.388 5 HB1 ALA 2 HB1 ALA 2 -20.251 8.415 -1.316 6 HB2 ALA 2 HB2 ALA 2 -19.498 7.704 0.112 7 HB3 ALA 2 HB3 ALA 2 -21.140 7.246 -0.339 8 H SER 3 H SER 3 -19.742 3.859 -1.337 9 HA SER 3 HA SER 3 -17.460 3.738 0.544 10 HB2 SER 3 HB2 SER 3 -19.885 1.933 0.436 11 HB3 SER 3 HB3 SER 3 -18.533 1.772 1.551 12 HG SER 3 HG SER 3 -20.587 3.047 2.123 13 H LEU 4 H LEU 4 -16.005 2.026 0.319 14 HA LEU 4 HA LEU 4 -15.370 1.226 -2.280 15 HB2 LEU 4 HB2 LEU 4 -13.796 1.240 -0.344 16 HB3 LEU 4 HB3 LEU 4 -14.616 -0.184 0.290 17 HG LEU 4 HG LEU 4 -14.123 -1.283 -1.986 18 HD11 LEU 4 HD11 LEU 4 -11.974 -0.275 -2.996 19 HD12 LEU 4 HD12 LEU 4 -12.407 1.198 -2.132 20 HD13 LEU 4 HD13 LEU 4 -13.492 0.543 -3.358 21 HD21 LEU 4 HD21 LEU 4 -12.921 -2.032 -0.066 22 HD22 LEU 4 HD22 LEU 4 -11.980 -0.543 0.015 23 HD23 LEU 4 HD23 LEU 4 -11.695 -1.697 -1.289 24 H TYR 5 H TYR 5 -17.270 -0.401 0.218 25 HA TYR 5 HA TYR 5 -17.490 -2.914 -1.038 26 HB2 TYR 5 HB2 TYR 5 -19.566 -1.584 0.714 27 HB3 TYR 5 HB3 TYR 5 -19.354 -3.313 0.444 28 HD1 TYR 5 HD1 TYR 5 -16.633 -3.951 0.775 29 HD2 TYR 5 HD2 TYR 5 -18.872 -0.906 2.816 30 HE1 TYR 5 HE1 TYR 5 -15.035 -4.045 2.662 31 HE2 TYR 5 HE2 TYR 5 -17.270 -0.999 4.706 32 HH TYR 5 HH TYR 5 -15.055 -3.499 5.115 33 H GLU 6 H GLU 6 -19.484 0.007 -1.277 34 HA GLU 6 HA GLU 6 -21.502 -1.117 -2.917 35 HB2 GLU 6 HB2 GLU 6 -20.586 1.741 -2.553 36 HB3 GLU 6 HB3 GLU 6 -22.017 1.274 -3.472 37 HG2 GLU 6 HG2 GLU 6 -22.922 0.144 -1.461 38 HG3 GLU 6 HG3 GLU 6 -21.512 0.668 -0.545 39 H LYS 7 H LYS 7 -18.391 0.375 -3.647 40 HA LYS 7 HA LYS 7 -18.737 0.814 -6.391 41 HB2 LYS 7 HB2 LYS 7 -16.794 1.609 -5.050 42 HB3 LYS 7 HB3 LYS 7 -16.193 -0.049 -4.997 43 HG2 LYS 7 HG2 LYS 7 -16.137 -0.087 -7.480 44 HG3 LYS 7 HG3 LYS 7 -16.670 1.594 -7.502 45 HD2 LYS 7 HD2 LYS 7 -14.652 2.187 -6.128 46 HD3 LYS 7 HD3 LYS 7 -14.096 0.522 -6.314 47 HE2 LYS 7 HE2 LYS 7 -13.001 1.664 -8.062 48 HE3 LYS 7 HE3 LYS 7 -14.392 0.928 -8.858 49 HZ1 LYS 7 HZ1 LYS 7 -14.689 3.027 -9.580 50 HZ2 LYS 7 HZ2 LYS 7 -13.844 3.726 -8.283 51 HZ3 LYS 7 HZ3 LYS 7 -15.454 3.225 -8.080 52 H LEU 8 H LEU 8 -17.496 -2.061 -4.692 53 HA LEU 8 HA LEU 8 -17.172 -3.601 -7.081 54 HB2 LEU 8 HB2 LEU 8 -17.427 -4.537 -4.211 55 HB3 LEU 8 HB3 LEU 8 -16.818 -5.490 -5.565 56 HG LEU 8 HG LEU 8 -15.584 -2.944 -4.469 57 HD11 LEU 8 HD11 LEU 8 -15.365 -5.320 -3.322 58 HD12 LEU 8 HD12 LEU 8 -13.951 -4.283 -3.503 59 HD13 LEU 8 HD13 LEU 8 -14.222 -5.609 -4.632 60 HD21 LEU 8 HD21 LEU 8 -15.035 -2.826 -6.727 61 HD22 LEU 8 HD22 LEU 8 -15.101 -4.576 -6.941 62 HD23 LEU 8 HD23 LEU 8 -13.719 -3.836 -6.131 63 H GLY 9 H GLY 9 -19.778 -3.081 -4.808 64 HA2 GLY 9 HA2 GLY 9 -22.066 -3.377 -5.403 65 HA3 GLY 9 HA3 GLY 9 -21.573 -4.588 -6.583 66 H GLY 10 H GLY 10 -19.804 -5.136 -3.846 67 HA2 GLY 10 HA2 GLY 10 -21.688 -6.470 -2.170 68 HA3 GLY 10 HA3 GLY 10 -20.869 -7.616 -3.229 69 H ALA 11 H ALA 11 -20.741 -6.141 -0.259 70 HA ALA 11 HA ALA 11 -17.991 -5.643 0.112 71 HB1 ALA 11 HB1 ALA 11 -19.476 -6.696 2.434 72 HB2 ALA 11 HB2 ALA 11 -20.216 -5.305 1.639 73 HB3 ALA 11 HB3 ALA 11 -18.568 -5.195 2.260 74 H ALA 12 H ALA 12 -19.904 -8.589 0.311 75 HA ALA 12 HA ALA 12 -18.001 -10.223 1.602 76 HB1 ALA 12 HB1 ALA 12 -20.569 -10.557 0.621 77 HB2 ALA 12 HB2 ALA 12 -19.569 -11.816 1.345 78 HB3 ALA 12 HB3 ALA 12 -19.599 -11.613 -0.406 79 H ALA 13 H ALA 13 -18.353 -9.184 -1.718 80 HA ALA 13 HA ALA 13 -16.684 -11.086 -2.961 81 HB1 ALA 13 HB1 ALA 13 -16.826 -9.752 -4.846 82 HB2 ALA 13 HB2 ALA 13 -16.763 -8.253 -3.920 83 HB3 ALA 13 HB3 ALA 13 -18.245 -9.208 -3.952 84 H VAL 14 H VAL 14 -15.981 -8.202 -1.109 85 HA VAL 14 HA VAL 14 -13.349 -7.710 -1.932 86 HB VAL 14 HB VAL 14 -14.698 -7.309 0.743 87 HG11 VAL 14 HG11 VAL 14 -12.511 -7.203 1.450 88 HG12 VAL 14 HG12 VAL 14 -12.649 -5.572 0.795 89 HG13 VAL 14 HG13 VAL 14 -11.896 -6.846 -0.163 90 HG21 VAL 14 HG21 VAL 14 -13.963 -5.426 -1.523 91 HG22 VAL 14 HG22 VAL 14 -14.733 -4.951 -0.011 92 HG23 VAL 14 HG23 VAL 14 -15.591 -5.992 -1.146 93 H ASP 15 H ASP 15 -14.578 -9.862 0.626 94 HA ASP 15 HA ASP 15 -12.080 -10.702 1.609 95 HB2 ASP 15 HB2 ASP 15 -14.295 -11.105 2.707 96 HB3 ASP 15 HB3 ASP 15 -14.618 -12.343 1.495 97 H LEU 16 H LEU 16 -14.134 -12.029 -0.967 98 HA LEU 16 HA LEU 16 -12.451 -14.258 -1.526 99 HB2 LEU 16 HB2 LEU 16 -14.640 -12.870 -3.066 100 HB3 LEU 16 HB3 LEU 16 -13.742 -14.223 -3.750 101 HG LEU 16 HG LEU 16 -15.923 -14.803 -2.533 102 HD11 LEU 16 HD11 LEU 16 -14.953 -16.828 -2.555 103 HD12 LEU 16 HD12 LEU 16 -14.179 -16.451 -1.016 104 HD13 LEU 16 HD13 LEU 16 -13.352 -16.091 -2.530 105 HD21 LEU 16 HD21 LEU 16 -14.209 -14.369 -0.074 106 HD22 LEU 16 HD22 LEU 16 -15.909 -14.828 -0.131 107 HD23 LEU 16 HD23 LEU 16 -15.420 -13.207 -0.620 108 H ALA 17 H ALA 17 -12.671 -10.974 -2.819 109 HA ALA 17 HA ALA 17 -10.880 -11.323 -4.981 110 HB1 ALA 17 HB1 ALA 17 -11.561 -8.845 -3.382 111 HB2 ALA 17 HB2 ALA 17 -12.350 -9.388 -4.862 112 HB3 ALA 17 HB3 ALA 17 -10.672 -8.847 -4.905 113 H VAL 18 H VAL 18 -10.393 -10.369 -1.608 114 HA VAL 18 HA VAL 18 -7.640 -9.741 -1.825 115 HB VAL 18 HB VAL 18 -9.292 -10.661 0.538 116 HG11 VAL 18 HG11 VAL 18 -7.255 -11.008 1.489 117 HG12 VAL 18 HG12 VAL 18 -7.163 -9.248 1.539 118 HG13 VAL 18 HG13 VAL 18 -6.408 -10.133 0.213 119 HG21 VAL 18 HG21 VAL 18 -9.936 -8.501 0.710 120 HG22 VAL 18 HG22 VAL 18 -9.284 -8.267 -0.913 121 HG23 VAL 18 HG23 VAL 18 -8.282 -7.926 0.499 122 H GLU 19 H GLU 19 -9.368 -12.742 -1.101 123 HA GLU 19 HA GLU 19 -7.167 -14.316 -0.359 124 HB2 GLU 19 HB2 GLU 19 -9.557 -14.969 -0.084 125 HB3 GLU 19 HB3 GLU 19 -9.649 -15.230 -1.827 126 HG2 GLU 19 HG2 GLU 19 -7.786 -16.876 -1.643 127 HG3 GLU 19 HG3 GLU 19 -7.809 -16.667 0.106 128 H LYS 20 H LYS 20 -8.535 -13.605 -3.555 129 HA LYS 20 HA LYS 20 -6.985 -15.432 -5.033 130 HB2 LYS 20 HB2 LYS 20 -8.152 -12.756 -5.830 131 HB3 LYS 20 HB3 LYS 20 -7.449 -13.912 -6.963 132 HG2 LYS 20 HG2 LYS 20 -9.079 -15.627 -6.163 133 HG3 LYS 20 HG3 LYS 20 -9.830 -14.393 -5.150 134 HD2 LYS 20 HD2 LYS 20 -10.246 -13.020 -7.191 135 HD3 LYS 20 HD3 LYS 20 -9.595 -14.335 -8.172 136 HE2 LYS 20 HE2 LYS 20 -11.405 -15.698 -6.669 137 HE3 LYS 20 HE3 LYS 20 -12.203 -14.129 -6.785 138 HZ1 LYS 20 HZ1 LYS 20 -12.773 -15.640 -8.621 139 HZ2 LYS 20 HZ2 LYS 20 -11.142 -15.657 -9.100 140 HZ3 LYS 20 HZ3 LYS 20 -12.035 -14.212 -9.161 141 H PHE 21 H PHE 21 -6.375 -12.051 -4.124 142 HA PHE 21 HA PHE 21 -3.900 -11.820 -5.499 143 HB2 PHE 21 HB2 PHE 21 -5.263 -9.887 -4.673 144 HB3 PHE 21 HB3 PHE 21 -4.785 -10.312 -3.029 145 HD1 PHE 21 HD1 PHE 21 -3.468 -9.310 -6.366 146 HD2 PHE 21 HD2 PHE 21 -2.644 -9.721 -2.172 147 HE1 PHE 21 HE1 PHE 21 -1.334 -8.083 -6.663 148 HE2 PHE 21 HE2 PHE 21 -0.509 -8.491 -2.472 149 HZ PHE 21 HZ PHE 21 0.143 -7.673 -4.718 150 H TYR 22 H TYR 22 -4.750 -12.678 -2.168 151 HA TYR 22 HA TYR 22 -2.154 -12.883 -1.123 152 HB2 TYR 22 HB2 TYR 22 -4.207 -12.894 0.254 153 HB3 TYR 22 HB3 TYR 22 -4.602 -14.495 -0.369 154 HD1 TYR 22 HD1 TYR 22 -2.226 -12.561 1.704 155 HD2 TYR 22 HD2 TYR 22 -3.410 -16.466 0.364 156 HE1 TYR 22 HE1 TYR 22 -0.773 -13.593 3.429 157 HE2 TYR 22 HE2 TYR 22 -1.958 -17.498 2.089 158 HH TYR 22 HH TYR 22 -0.557 -17.141 3.763 159 H GLY 23 H GLY 23 -4.180 -15.271 -2.789 160 HA2 GLY 23 HA2 GLY 23 -2.609 -17.544 -2.423 161 HA3 GLY 23 HA3 GLY 23 -3.644 -17.260 -3.818 162 H LYS 24 H LYS 24 -2.360 -14.992 -4.882 163 HA LYS 24 HA LYS 24 -0.338 -16.177 -6.443 164 HB2 LYS 24 HB2 LYS 24 -0.968 -13.259 -5.947 165 HB3 LYS 24 HB3 LYS 24 0.127 -13.847 -7.200 166 HG2 LYS 24 HG2 LYS 24 -1.746 -15.216 -8.132 167 HG3 LYS 24 HG3 LYS 24 -2.826 -14.488 -6.942 168 HD2 LYS 24 HD2 LYS 24 -2.242 -12.235 -7.851 169 HD3 LYS 24 HD3 LYS 24 -1.278 -13.023 -9.099 170 HE2 LYS 24 HE2 LYS 24 -4.109 -13.917 -8.746 171 HE3 LYS 24 HE3 LYS 24 -3.823 -12.367 -9.536 172 HZ1 LYS 24 HZ1 LYS 24 -2.659 -13.352 -11.247 173 HZ2 LYS 24 HZ2 LYS 24 -3.882 -14.494 -10.952 174 HZ3 LYS 24 HZ3 LYS 24 -2.311 -14.756 -10.360 175 H VAL 25 H VAL 25 -0.206 -14.154 -3.551 176 HA VAL 25 HA VAL 25 2.594 -13.738 -3.525 177 HB VAL 25 HB VAL 25 0.547 -13.759 -1.299 178 HG11 VAL 25 HG11 VAL 25 3.503 -13.389 -1.303 179 HG12 VAL 25 HG12 VAL 25 2.447 -13.992 -0.026 180 HG13 VAL 25 HG13 VAL 25 2.560 -12.259 -0.330 181 HG21 VAL 25 HG21 VAL 25 0.296 -12.019 -3.063 182 HG22 VAL 25 HG22 VAL 25 1.954 -11.503 -2.763 183 HG23 VAL 25 HG23 VAL 25 0.734 -11.321 -1.504 184 H LEU 26 H LEU 26 0.531 -16.230 -2.077 185 HA LEU 26 HA LEU 26 2.513 -17.577 -0.610 186 HB2 LEU 26 HB2 LEU 26 0.050 -17.948 -0.397 187 HB3 LEU 26 HB3 LEU 26 0.083 -18.790 -1.943 188 HG LEU 26 HG LEU 26 1.876 -20.308 -0.920 189 HD11 LEU 26 HD11 LEU 26 2.604 -19.173 1.009 190 HD12 LEU 26 HD12 LEU 26 1.539 -20.419 1.658 191 HD13 LEU 26 HD13 LEU 26 0.962 -18.761 1.502 192 HD21 LEU 26 HD21 LEU 26 -1.018 -20.207 -0.140 193 HD22 LEU 26 HD22 LEU 26 0.014 -21.451 0.565 194 HD23 LEU 26 HD23 LEU 26 -0.185 -21.357 -1.185 195 H ALA 27 H ALA 27 1.509 -17.839 -3.983 196 HA ALA 27 HA ALA 27 2.952 -20.170 -4.640 197 HB1 ALA 27 HB1 ALA 27 1.484 -18.099 -6.043 198 HB2 ALA 27 HB2 ALA 27 1.723 -19.791 -6.477 199 HB3 ALA 27 HB3 ALA 27 2.923 -18.584 -6.938 200 H ASP 28 H ASP 28 3.876 -16.752 -4.618 201 HA ASP 28 HA ASP 28 6.523 -17.371 -5.667 202 HB2 ASP 28 HB2 ASP 28 5.365 -15.301 -6.348 203 HB3 ASP 28 HB3 ASP 28 5.381 -14.752 -4.674 204 H GLU 29 H GLU 29 7.832 -18.377 -4.271 205 HA GLU 29 HA GLU 29 7.753 -17.970 -1.437 206 HB2 GLU 29 HB2 GLU 29 9.789 -19.339 -3.207 207 HB3 GLU 29 HB3 GLU 29 9.803 -19.382 -1.443 208 HG2 GLU 29 HG2 GLU 29 7.526 -20.375 -1.473 209 HG3 GLU 29 HG3 GLU 29 7.576 -20.392 -3.235 210 H ARG 30 H ARG 30 9.513 -16.543 -4.083 211 HA ARG 30 HA ARG 30 11.762 -15.537 -2.802 212 HB2 ARG 30 HB2 ARG 30 10.113 -14.298 -5.014 213 HB3 ARG 30 HB3 ARG 30 11.725 -13.758 -4.543 214 HG2 ARG 30 HG2 ARG 30 12.575 -16.071 -4.983 215 HG3 ARG 30 HG3 ARG 30 10.974 -16.505 -5.585 216 HD2 ARG 30 HD2 ARG 30 12.791 -14.356 -6.709 217 HD3 ARG 30 HD3 ARG 30 12.415 -15.903 -7.464 218 HE ARG 30 HE ARG 30 10.683 -13.564 -7.338 219 HH11 ARG 30 HH11 ARG 30 11.020 -16.965 -7.885 220 HH12 ARG 30 HH12 ARG 30 9.576 -17.095 -8.833 221 HH21 ARG 30 HH21 ARG 30 8.788 -13.728 -8.580 222 HH22 ARG 30 HH22 ARG 30 8.312 -15.262 -9.227 223 H VAL 31 H VAL 31 8.495 -14.117 -2.962 224 HA VAL 31 HA VAL 31 9.303 -11.773 -1.485 225 HB VAL 31 HB VAL 31 6.879 -11.250 -1.459 226 HG11 VAL 31 HG11 VAL 31 8.406 -11.930 -3.930 227 HG12 VAL 31 HG12 VAL 31 7.789 -10.370 -3.385 228 HG13 VAL 31 HG13 VAL 31 6.696 -11.544 -4.119 229 HG21 VAL 31 HG21 VAL 31 5.309 -12.743 -2.551 230 HG22 VAL 31 HG22 VAL 31 6.151 -13.654 -1.296 231 HG23 VAL 31 HG23 VAL 31 6.608 -13.850 -2.988 232 H ASN 32 H ASN 32 7.901 -14.889 -0.750 233 HA ASN 32 HA ASN 32 6.853 -14.401 1.793 234 HB2 ASN 32 HB2 ASN 32 8.191 -16.885 0.702 235 HB3 ASN 32 HB3 ASN 32 7.259 -16.826 2.197 236 HD21 ASN 32 HD21 ASN 32 6.445 -18.474 -0.005 237 HD22 ASN 32 HD22 ASN 32 4.993 -17.849 -0.625 238 H ARG 33 H ARG 33 10.170 -14.915 0.753 239 HA ARG 33 HA ARG 33 11.382 -15.471 3.199 240 HB2 ARG 33 HB2 ARG 33 12.449 -13.895 0.848 241 HB3 ARG 33 HB3 ARG 33 13.434 -14.509 2.177 242 HG2 ARG 33 HG2 ARG 33 12.675 -16.813 1.654 243 HG3 ARG 33 HG3 ARG 33 11.750 -16.183 0.290 244 HD2 ARG 33 HD2 ARG 33 13.852 -16.985 -0.573 245 HD3 ARG 33 HD3 ARG 33 13.895 -15.225 -0.620 246 HE ARG 33 HE ARG 33 14.997 -16.290 1.817 247 HH11 ARG 33 HH11 ARG 33 15.577 -15.594 -1.521 248 HH12 ARG 33 HH12 ARG 33 17.290 -15.421 -1.331 249 HH21 ARG 33 HH21 ARG 33 17.242 -16.064 2.076 250 HH22 ARG 33 HH22 ARG 33 18.232 -15.686 0.707 251 H PHE 34 H PHE 34 10.459 -12.365 1.787 252 HA PHE 34 HA PHE 34 11.725 -10.746 3.762 253 HB2 PHE 34 HB2 PHE 34 9.498 -10.193 1.799 254 HB3 PHE 34 HB3 PHE 34 10.186 -8.962 2.859 255 HD1 PHE 34 HD1 PHE 34 10.893 -11.278 0.063 256 HD2 PHE 34 HD2 PHE 34 12.405 -8.078 2.493 257 HE1 PHE 34 HE1 PHE 34 12.770 -10.962 -1.525 258 HE2 PHE 34 HE2 PHE 34 14.284 -7.761 0.907 259 HZ PHE 34 HZ PHE 34 14.466 -9.204 -1.103 260 H PHE 35 H PHE 35 8.589 -12.306 3.553 261 HA PHE 35 HA PHE 35 7.530 -10.837 5.823 262 HB2 PHE 35 HB2 PHE 35 6.431 -13.139 4.202 263 HB3 PHE 35 HB3 PHE 35 5.568 -12.367 5.534 264 HD1 PHE 35 HD1 PHE 35 5.109 -9.866 5.409 265 HD2 PHE 35 HD2 PHE 35 6.473 -12.155 2.042 266 HE1 PHE 35 HE1 PHE 35 4.349 -8.068 3.880 267 HE2 PHE 35 HE2 PHE 35 5.713 -10.357 0.512 268 HZ PHE 35 HZ PHE 35 4.651 -8.313 1.431 269 H VAL 36 H VAL 36 9.864 -13.002 5.773 270 HA VAL 36 HA VAL 36 9.019 -15.076 7.510 271 HB VAL 36 HB VAL 36 11.424 -15.420 7.934 272 HG11 VAL 36 HG11 VAL 36 12.069 -15.380 5.369 273 HG12 VAL 36 HG12 VAL 36 10.365 -14.967 5.168 274 HG13 VAL 36 HG13 VAL 36 10.820 -16.477 5.956 275 HG21 VAL 36 HG21 VAL 36 12.879 -13.769 6.444 276 HG22 VAL 36 HG22 VAL 36 12.443 -13.337 8.098 277 HG23 VAL 36 HG23 VAL 36 11.532 -12.670 6.743 278 H ASN 37 H ASN 37 10.160 -11.803 8.059 279 HA ASN 37 HA ASN 37 10.391 -12.181 10.931 280 HB2 ASN 37 HB2 ASN 37 10.534 -9.675 9.235 281 HB3 ASN 37 HB3 ASN 37 10.921 -9.772 10.953 282 HD21 ASN 37 HD21 ASN 37 12.821 -9.027 8.836 283 HD22 ASN 37 HD22 ASN 37 14.044 -10.205 8.844 284 H THR 38 H THR 38 7.840 -11.961 8.905 285 HA THR 38 HA THR 38 6.164 -10.626 10.943 286 HB THR 38 HB THR 38 5.744 -10.545 7.945 287 HG1 THR 38 HG1 THR 38 6.452 -8.459 8.095 288 HG21 THR 38 HG21 THR 38 4.311 -9.253 10.279 289 HG22 THR 38 HG22 THR 38 3.650 -10.443 9.158 290 HG23 THR 38 HG23 THR 38 4.040 -8.820 8.591 291 H ASP 39 H ASP 39 4.255 -11.637 11.467 292 HA ASP 39 HA ASP 39 4.041 -14.423 10.825 293 HB2 ASP 39 HB2 ASP 39 2.006 -14.354 12.219 294 HB3 ASP 39 HB3 ASP 39 3.374 -13.589 13.025 295 H MET 40 H MET 40 2.131 -15.437 9.908 296 HA MET 40 HA MET 40 1.467 -14.437 7.371 297 HB2 MET 40 HB2 MET 40 0.093 -16.526 9.074 298 HB3 MET 40 HB3 MET 40 -0.276 -16.229 7.374 299 HG2 MET 40 HG2 MET 40 2.135 -16.655 6.836 300 HG3 MET 40 HG3 MET 40 2.391 -17.103 8.523 301 HE1 MET 40 HE1 MET 40 0.933 -18.553 9.753 302 HE2 MET 40 HE2 MET 40 0.384 -20.130 9.192 303 HE3 MET 40 HE3 MET 40 -0.667 -18.726 9.018 304 H ALA 41 H ALA 41 -0.168 -14.128 10.478 305 HA ALA 41 HA ALA 41 -2.665 -13.225 9.576 306 HB1 ALA 41 HB1 ALA 41 -3.087 -12.635 11.779 307 HB2 ALA 41 HB2 ALA 41 -1.433 -12.089 12.059 308 HB3 ALA 41 HB3 ALA 41 -1.792 -13.815 11.982 309 H LYS 42 H LYS 42 0.079 -11.239 10.735 310 HA LYS 42 HA LYS 42 -1.047 -8.765 9.974 311 HB2 LYS 42 HB2 LYS 42 1.856 -9.548 10.326 312 HB3 LYS 42 HB3 LYS 42 1.266 -7.892 10.185 313 HG2 LYS 42 HG2 LYS 42 -0.190 -8.282 12.176 314 HG3 LYS 42 HG3 LYS 42 0.531 -9.882 12.351 315 HD2 LYS 42 HD2 LYS 42 2.777 -8.805 12.533 316 HD3 LYS 42 HD3 LYS 42 1.988 -7.228 12.489 317 HE2 LYS 42 HE2 LYS 42 1.422 -9.382 14.548 318 HE3 LYS 42 HE3 LYS 42 2.463 -7.985 14.816 319 HZ1 LYS 42 HZ1 LYS 42 0.174 -6.911 13.814 320 HZ2 LYS 42 HZ2 LYS 42 0.620 -6.947 15.453 321 HZ3 LYS 42 HZ3 LYS 42 -0.396 -8.154 14.819 322 H GLN 43 H GLN 43 0.900 -11.115 8.236 323 HA GLN 43 HA GLN 43 1.742 -9.605 6.062 324 HB2 GLN 43 HB2 GLN 43 2.369 -11.982 6.542 325 HB3 GLN 43 HB3 GLN 43 0.781 -12.471 5.951 326 HG2 GLN 43 HG2 GLN 43 1.286 -11.350 3.781 327 HG3 GLN 43 HG3 GLN 43 2.905 -10.993 4.375 328 HE21 GLN 43 HE21 GLN 43 2.251 -13.880 5.795 329 HE22 GLN 43 HE22 GLN 43 2.842 -14.938 4.606 330 H LYS 44 H LYS 44 -1.371 -11.229 6.588 331 HA LYS 44 HA LYS 44 -2.482 -10.771 4.051 332 HB2 LYS 44 HB2 LYS 44 -3.814 -10.986 6.759 333 HB3 LYS 44 HB3 LYS 44 -4.679 -10.999 5.222 334 HG2 LYS 44 HG2 LYS 44 -3.360 -12.973 4.508 335 HG3 LYS 44 HG3 LYS 44 -2.539 -12.975 6.070 336 HD2 LYS 44 HD2 LYS 44 -4.251 -14.530 6.422 337 HD3 LYS 44 HD3 LYS 44 -4.969 -13.046 7.049 338 HE2 LYS 44 HE2 LYS 44 -6.692 -13.544 5.652 339 HE3 LYS 44 HE3 LYS 44 -5.641 -12.890 4.396 340 HZ1 LYS 44 HZ1 LYS 44 -4.699 -15.268 4.336 341 HZ2 LYS 44 HZ2 LYS 44 -6.188 -14.959 3.581 342 HZ3 LYS 44 HZ3 LYS 44 -6.145 -15.704 5.107 343 H GLN 45 H GLN 45 -2.310 -8.727 6.921 344 HA GLN 45 HA GLN 45 -4.094 -6.712 6.129 345 HB2 GLN 45 HB2 GLN 45 -3.077 -6.939 8.401 346 HB3 GLN 45 HB3 GLN 45 -1.555 -6.347 7.733 347 HG2 GLN 45 HG2 GLN 45 -2.655 -4.260 7.038 348 HG3 GLN 45 HG3 GLN 45 -4.191 -4.849 7.672 349 HE21 GLN 45 HE21 GLN 45 -3.350 -2.499 8.787 350 HE22 GLN 45 HE22 GLN 45 -2.725 -2.748 10.345 351 H HIS 46 H HIS 46 -0.662 -7.188 5.405 352 HA HIS 46 HA HIS 46 -0.159 -4.709 4.184 353 HB2 HIS 46 HB2 HIS 46 1.592 -6.362 4.808 354 HB3 HIS 46 HB3 HIS 46 1.068 -7.379 3.465 355 HD1 HIS 46 HD1 HIS 46 2.106 -6.889 1.239 356 HD2 HIS 46 HD2 HIS 46 2.457 -3.664 3.853 357 HE1 HIS 46 HE1 HIS 46 3.527 -5.159 0.054 358 H GLN 47 H GLN 47 -1.308 -7.774 2.787 359 HA GLN 47 HA GLN 47 -1.361 -6.961 0.099 360 HB2 GLN 47 HB2 GLN 47 -3.022 -8.968 1.627 361 HB3 GLN 47 HB3 GLN 47 -3.172 -8.735 -0.113 362 HG2 GLN 47 HG2 GLN 47 -1.533 -10.567 0.821 363 HG3 GLN 47 HG3 GLN 47 -1.048 -9.578 -0.549 364 HE21 GLN 47 HE21 GLN 47 0.021 -10.691 2.428 365 HE22 GLN 47 HE22 GLN 47 1.196 -9.508 2.743 366 H LYS 48 H LYS 48 -3.736 -6.582 2.694 367 HA LYS 48 HA LYS 48 -5.852 -5.591 1.108 368 HB2 LYS 48 HB2 LYS 48 -6.084 -6.356 3.469 369 HB3 LYS 48 HB3 LYS 48 -5.221 -4.908 3.988 370 HG2 LYS 48 HG2 LYS 48 -6.955 -3.503 2.900 371 HG3 LYS 48 HG3 LYS 48 -7.835 -4.966 2.452 372 HD2 LYS 48 HD2 LYS 48 -7.963 -5.574 4.876 373 HD3 LYS 48 HD3 LYS 48 -7.215 -4.025 5.267 374 HE2 LYS 48 HE2 LYS 48 -9.664 -4.093 3.527 375 HE3 LYS 48 HE3 LYS 48 -9.834 -4.228 5.278 376 HZ1 LYS 48 HZ1 LYS 48 -9.499 -2.065 5.477 377 HZ2 LYS 48 HZ2 LYS 48 -9.455 -1.920 3.785 378 HZ3 LYS 48 HZ3 LYS 48 -8.018 -2.165 4.657 379 H ASP 49 H ASP 49 -3.294 -3.913 2.932 380 HA ASP 49 HA ASP 49 -4.090 -1.291 2.188 381 HB2 ASP 49 HB2 ASP 49 -1.425 -2.380 3.116 382 HB3 ASP 49 HB3 ASP 49 -1.781 -0.664 2.923 383 H PHE 50 H PHE 50 -1.772 -3.594 0.819 384 HA PHE 50 HA PHE 50 -0.636 -1.890 -1.115 385 HB2 PHE 50 HB2 PHE 50 0.293 -4.100 -0.466 386 HB3 PHE 50 HB3 PHE 50 -1.056 -4.883 -1.290 387 HD1 PHE 50 HD1 PHE 50 2.009 -2.875 -1.738 388 HD2 PHE 50 HD2 PHE 50 -1.213 -4.916 -3.712 389 HE1 PHE 50 HE1 PHE 50 3.224 -2.708 -3.894 390 HE2 PHE 50 HE2 PHE 50 0.002 -4.749 -5.868 391 HZ PHE 50 HZ PHE 50 2.221 -3.644 -5.959 392 H MET 51 H MET 51 -3.298 -4.243 -1.405 393 HA MET 51 HA MET 51 -3.905 -3.684 -4.102 394 HB2 MET 51 HB2 MET 51 -4.678 -5.671 -2.709 395 HB3 MET 51 HB3 MET 51 -5.894 -4.595 -2.020 396 HG2 MET 51 HG2 MET 51 -6.751 -4.115 -4.286 397 HG3 MET 51 HG3 MET 51 -5.543 -5.201 -4.971 398 HE1 MET 51 HE1 MET 51 -9.634 -6.146 -3.605 399 HE2 MET 51 HE2 MET 51 -8.990 -5.185 -4.936 400 HE3 MET 51 HE3 MET 51 -8.777 -4.633 -3.276 401 H THR 52 H THR 52 -5.013 -2.261 -1.069 402 HA THR 52 HA THR 52 -7.093 -0.664 -2.108 403 HB THR 52 HB THR 52 -5.304 -0.077 0.265 404 HG1 THR 52 HG1 THR 52 -7.510 -1.761 -0.147 405 HG21 THR 52 HG21 THR 52 -7.844 0.809 0.828 406 HG22 THR 52 HG22 THR 52 -7.702 1.174 -0.891 407 HG23 THR 52 HG23 THR 52 -6.528 1.830 0.250 408 H TYR 53 H TYR 53 -3.621 -0.129 -1.789 409 HA TYR 53 HA TYR 53 -3.508 2.601 -2.381 410 HB2 TYR 53 HB2 TYR 53 -1.587 1.250 -1.583 411 HB3 TYR 53 HB3 TYR 53 -1.503 0.470 -3.162 412 HD1 TYR 53 HD1 TYR 53 -1.118 3.681 -1.355 413 HD2 TYR 53 HD2 TYR 53 -0.613 1.616 -5.088 414 HE1 TYR 53 HE1 TYR 53 0.234 5.572 -2.218 415 HE2 TYR 53 HE2 TYR 53 0.740 3.508 -5.950 416 HH TYR 53 HH TYR 53 1.421 6.358 -3.913 417 H ALA 54 H ALA 54 -3.708 -0.200 -4.526 418 HA ALA 54 HA ALA 54 -3.151 1.050 -6.961 419 HB1 ALA 54 HB1 ALA 54 -3.869 -1.480 -6.195 420 HB2 ALA 54 HB2 ALA 54 -3.730 -0.937 -7.866 421 HB3 ALA 54 HB3 ALA 54 -5.304 -0.947 -7.072 422 H PHE 55 H PHE 55 -6.096 1.019 -5.038 423 HA PHE 55 HA PHE 55 -7.734 2.182 -7.098 424 HB2 PHE 55 HB2 PHE 55 -8.132 1.775 -4.134 425 HB3 PHE 55 HB3 PHE 55 -9.335 2.551 -5.164 426 HD1 PHE 55 HD1 PHE 55 -10.450 1.299 -6.972 427 HD2 PHE 55 HD2 PHE 55 -7.660 -0.602 -4.318 428 HE1 PHE 55 HE1 PHE 55 -11.247 -0.924 -7.728 429 HE2 PHE 55 HE2 PHE 55 -8.458 -2.825 -5.074 430 HZ PHE 55 HZ PHE 55 -10.249 -2.987 -6.780 431 H GLY 56 H GLY 56 -5.270 3.414 -5.240 432 HA2 GLY 56 HA2 GLY 56 -4.516 5.654 -5.443 433 HA3 GLY 56 HA3 GLY 56 -6.172 6.157 -5.765 434 H GLY 57 H GLY 57 -6.019 3.964 -3.202 435 HA2 GLY 57 HA2 GLY 57 -7.053 5.689 -1.277 436 HA3 GLY 57 HA3 GLY 57 -6.234 4.171 -0.917 437 H THR 58 H THR 58 -5.663 7.596 -1.626 438 HA THR 58 HA THR 58 -3.029 7.407 -0.322 439 HB THR 58 HB THR 58 -2.545 9.557 -1.369 440 HG1 THR 58 HG1 THR 58 -5.033 9.406 -2.672 441 HG21 THR 58 HG21 THR 58 -3.351 8.653 -3.838 442 HG22 THR 58 HG22 THR 58 -3.393 7.176 -2.874 443 HG23 THR 58 HG23 THR 58 -1.902 8.111 -2.992 444 H ASP 59 H ASP 59 -5.890 7.662 0.881 445 HA ASP 59 HA ASP 59 -6.233 10.141 2.093 446 HB2 ASP 59 HB2 ASP 59 -6.852 7.365 3.120 447 HB3 ASP 59 HB3 ASP 59 -7.385 8.841 3.923 448 H ARG 60 H ARG 60 -4.166 7.437 3.018 449 HA ARG 60 HA ARG 60 -2.461 9.194 4.544 450 HB2 ARG 60 HB2 ARG 60 -2.654 7.691 6.613 451 HB3 ARG 60 HB3 ARG 60 -3.963 8.839 6.332 452 HG2 ARG 60 HG2 ARG 60 -5.233 7.003 5.174 453 HG3 ARG 60 HG3 ARG 60 -3.968 5.880 5.675 454 HD2 ARG 60 HD2 ARG 60 -5.731 5.755 7.313 455 HD3 ARG 60 HD3 ARG 60 -4.377 6.607 8.053 456 HE ARG 60 HE ARG 60 -6.322 8.349 6.800 457 HH11 ARG 60 HH11 ARG 60 -5.373 6.612 9.636 458 HH12 ARG 60 HH12 ARG 60 -6.239 7.642 10.726 459 HH21 ARG 60 HH21 ARG 60 -7.460 9.707 8.220 460 HH22 ARG 60 HH22 ARG 60 -7.422 9.396 9.924 461 H PHE 61 H PHE 61 -1.053 8.431 2.881 462 HA PHE 61 HA PHE 61 0.103 5.806 3.529 463 HB2 PHE 61 HB2 PHE 61 -0.942 6.720 0.902 464 HB3 PHE 61 HB3 PHE 61 0.563 5.799 0.897 465 HD1 PHE 61 HD1 PHE 61 -2.936 5.762 2.207 466 HD2 PHE 61 HD2 PHE 61 0.532 3.452 1.163 467 HE1 PHE 61 HE1 PHE 61 -4.223 3.672 2.556 468 HE2 PHE 61 HE2 PHE 61 -0.756 1.361 1.513 469 HZ PHE 61 HZ PHE 61 -3.134 1.471 2.211 470 HA PRO 62 HA PRO 62 3.579 8.383 1.253 471 HB2 PRO 62 HB2 PRO 62 2.853 11.133 1.346 472 HB3 PRO 62 HB3 PRO 62 3.031 10.121 -0.096 473 HG2 PRO 62 HG2 PRO 62 0.596 10.936 1.341 474 HG3 PRO 62 HG3 PRO 62 0.817 10.490 -0.357 475 HD2 PRO 62 HD2 PRO 62 -0.419 8.858 1.420 476 HD3 PRO 62 HD3 PRO 62 0.526 8.228 0.055 477 H GLY 63 H GLY 63 1.621 9.093 3.959 478 HA2 GLY 63 HA2 GLY 63 3.614 10.631 5.409 479 HA3 GLY 63 HA3 GLY 63 2.057 10.081 6.027 480 H ARG 64 H ARG 64 3.663 9.653 7.898 481 HA ARG 64 HA ARG 64 4.857 8.167 9.195 482 HB2 ARG 64 HB2 ARG 64 3.244 6.232 7.512 483 HB3 ARG 64 HB3 ARG 64 4.122 5.798 8.979 484 HG2 ARG 64 HG2 ARG 64 2.782 7.475 10.242 485 HG3 ARG 64 HG3 ARG 64 1.861 7.809 8.775 486 HD2 ARG 64 HD2 ARG 64 1.269 5.359 8.689 487 HD3 ARG 64 HD3 ARG 64 2.017 5.180 10.271 488 HE ARG 64 HE ARG 64 -0.483 6.593 9.678 489 HH11 ARG 64 HH11 ARG 64 1.996 5.699 11.934 490 HH12 ARG 64 HH12 ARG 64 1.038 6.056 13.330 491 HH21 ARG 64 HH21 ARG 64 -1.733 7.061 11.511 492 HH22 ARG 64 HH22 ARG 64 -1.069 6.826 13.093 493 H SER 65 H SER 65 5.927 8.988 6.490 494 HA SER 65 HA SER 65 7.535 8.323 4.940 495 HB2 SER 65 HB2 SER 65 8.585 8.007 7.708 496 HB3 SER 65 HB3 SER 65 9.581 7.411 6.382 497 HG SER 65 HG SER 65 9.266 9.902 7.195 498 H MET 66 H MET 66 6.488 6.626 3.842 499 HA MET 66 HA MET 66 6.325 3.959 4.703 500 HB2 MET 66 HB2 MET 66 6.435 5.161 1.934 501 HB3 MET 66 HB3 MET 66 6.136 3.450 2.236 502 HG2 MET 66 HG2 MET 66 4.486 5.692 3.434 503 HG3 MET 66 HG3 MET 66 4.035 4.804 1.978 504 HE1 MET 66 HE1 MET 66 2.726 3.873 5.996 505 HE2 MET 66 HE2 MET 66 2.270 5.025 4.744 506 HE3 MET 66 HE3 MET 66 3.823 5.191 5.560 507 H ARG 67 H ARG 67 8.914 5.728 3.101 508 HA ARG 67 HA ARG 67 10.500 3.604 2.247 509 HB2 ARG 67 HB2 ARG 67 11.348 6.298 3.335 510 HB3 ARG 67 HB3 ARG 67 12.404 5.186 2.462 511 HG2 ARG 67 HG2 ARG 67 10.825 5.261 0.532 512 HG3 ARG 67 HG3 ARG 67 9.872 6.467 1.397 513 HD2 ARG 67 HD2 ARG 67 11.959 7.882 1.541 514 HD3 ARG 67 HD3 ARG 67 12.739 6.728 0.463 515 HE ARG 67 HE ARG 67 11.420 7.535 -1.301 516 HH11 ARG 67 HH11 ARG 67 10.467 8.826 1.765 517 HH12 ARG 67 HH12 ARG 67 9.426 10.034 1.088 518 HH21 ARG 67 HH21 ARG 67 10.058 9.116 -2.197 519 HH22 ARG 67 HH22 ARG 67 9.195 10.199 -1.156 520 H ALA 68 H ALA 68 10.262 5.108 5.446 521 HA ALA 68 HA ALA 68 12.430 3.734 6.635 522 HB1 ALA 68 HB1 ALA 68 11.866 4.958 8.430 523 HB2 ALA 68 HB2 ALA 68 10.246 4.263 8.478 524 HB3 ALA 68 HB3 ALA 68 10.579 5.652 7.444 525 H ALA 69 H ALA 69 9.010 2.917 6.261 526 HA ALA 69 HA ALA 69 9.006 0.641 7.941 527 HB1 ALA 69 HB1 ALA 69 7.171 0.271 5.786 528 HB2 ALA 69 HB2 ALA 69 7.162 1.976 6.235 529 HB3 ALA 69 HB3 ALA 69 6.827 0.742 7.450 530 H HIS 70 H HIS 70 9.842 1.102 4.548 531 HA HIS 70 HA HIS 70 10.237 -1.774 4.180 532 HB2 HIS 70 HB2 HIS 70 10.556 0.549 2.265 533 HB3 HIS 70 HB3 HIS 70 10.748 -1.152 1.836 534 HD1 HIS 70 HD1 HIS 70 8.185 1.451 2.486 535 HD2 HIS 70 HD2 HIS 70 8.283 -2.689 2.002 536 HE1 HIS 70 HE1 HIS 70 5.788 0.714 2.133 537 H GLN 71 H GLN 71 12.032 1.020 5.021 538 HA GLN 71 HA GLN 71 14.571 0.406 3.987 539 HB2 GLN 71 HB2 GLN 71 13.918 2.566 5.080 540 HB3 GLN 71 HB3 GLN 71 13.990 1.743 6.638 541 HG2 GLN 71 HG2 GLN 71 16.362 1.113 6.126 542 HG3 GLN 71 HG3 GLN 71 16.265 2.101 4.670 543 HE21 GLN 71 HE21 GLN 71 14.311 3.671 6.829 544 HE22 GLN 71 HE22 GLN 71 15.441 4.735 7.517 545 H ASP 72 H ASP 72 12.940 -0.649 6.942 546 HA ASP 72 HA ASP 72 15.094 -1.902 8.212 547 HB2 ASP 72 HB2 ASP 72 12.149 -2.590 8.226 548 HB3 ASP 72 HB3 ASP 72 13.335 -3.302 9.317 549 H LEU 73 H LEU 73 12.887 -3.099 5.714 550 HA LEU 73 HA LEU 73 13.725 -5.793 5.739 551 HB2 LEU 73 HB2 LEU 73 12.704 -4.176 3.391 552 HB3 LEU 73 HB3 LEU 73 12.721 -5.935 3.518 553 HG LEU 73 HG LEU 73 11.171 -4.031 5.298 554 HD11 LEU 73 HD11 LEU 73 9.380 -4.421 3.965 555 HD12 LEU 73 HD12 LEU 73 9.761 -6.137 3.818 556 HD13 LEU 73 HD13 LEU 73 10.555 -4.964 2.768 557 HD21 LEU 73 HD21 LEU 73 11.776 -6.963 5.432 558 HD22 LEU 73 HD22 LEU 73 10.178 -6.413 5.937 559 HD23 LEU 73 HD23 LEU 73 11.620 -5.794 6.743 560 H VAL 74 H VAL 74 14.926 -2.955 4.001 561 HA VAL 74 HA VAL 74 16.775 -4.323 2.348 562 HB VAL 74 HB VAL 74 16.740 -1.470 3.354 563 HG11 VAL 74 HG11 VAL 74 18.634 -2.984 1.624 564 HG12 VAL 74 HG12 VAL 74 18.930 -1.592 2.666 565 HG13 VAL 74 HG13 VAL 74 18.182 -1.367 1.085 566 HG21 VAL 74 HG21 VAL 74 16.069 -2.559 0.612 567 HG22 VAL 74 HG22 VAL 74 15.721 -0.953 1.254 568 HG23 VAL 74 HG23 VAL 74 14.850 -2.357 1.870 569 H GLU 75 H GLU 75 17.078 -2.831 5.552 570 HA GLU 75 HA GLU 75 19.867 -3.184 5.830 571 HB2 GLU 75 HB2 GLU 75 17.686 -3.010 7.920 572 HB3 GLU 75 HB3 GLU 75 19.412 -2.940 8.272 573 HG2 GLU 75 HG2 GLU 75 17.941 -1.036 6.428 574 HG3 GLU 75 HG3 GLU 75 18.403 -0.675 8.090 575 H ASN 76 H ASN 76 17.123 -5.292 6.529 576 HA ASN 76 HA ASN 76 18.862 -7.325 7.693 577 HB2 ASN 76 HB2 ASN 76 15.884 -7.286 7.164 578 HB3 ASN 76 HB3 ASN 76 16.744 -8.599 7.967 579 HD21 ASN 76 HD21 ASN 76 14.703 -7.125 9.328 580 HD22 ASN 76 HD22 ASN 76 15.432 -6.227 10.570 581 H ALA 77 H ALA 77 16.440 -7.308 5.063 582 HA ALA 77 HA ALA 77 18.037 -9.397 3.714 583 HB1 ALA 77 HB1 ALA 77 16.033 -10.455 3.816 584 HB2 ALA 77 HB2 ALA 77 15.635 -9.435 2.433 585 HB3 ALA 77 HB3 ALA 77 15.140 -8.953 4.056 586 H GLY 78 H GLY 78 18.504 -9.209 1.522 587 HA2 GLY 78 HA2 GLY 78 18.738 -6.512 0.535 588 HA3 GLY 78 HA3 GLY 78 19.263 -7.977 -0.291 589 H LEU 79 H LEU 79 17.323 -5.453 -0.708 590 HA LEU 79 HA LEU 79 15.093 -6.973 -1.897 591 HB2 LEU 79 HB2 LEU 79 14.542 -5.148 -0.284 592 HB3 LEU 79 HB3 LEU 79 15.298 -3.997 -1.386 593 HG LEU 79 HG LEU 79 13.718 -4.771 -3.180 594 HD11 LEU 79 HD11 LEU 79 12.816 -6.492 -0.902 595 HD12 LEU 79 HD12 LEU 79 12.927 -6.875 -2.619 596 HD13 LEU 79 HD13 LEU 79 11.596 -5.884 -2.022 597 HD21 LEU 79 HD21 LEU 79 13.195 -2.735 -1.987 598 HD22 LEU 79 HD22 LEU 79 12.574 -3.643 -0.609 599 HD23 LEU 79 HD23 LEU 79 11.700 -3.658 -2.140 600 H THR 80 H THR 80 14.822 -7.062 -4.055 601 HA THR 80 HA THR 80 16.561 -5.344 -5.721 602 HB THR 80 HB THR 80 16.727 -7.185 -7.316 603 HG1 THR 80 HG1 THR 80 15.732 -9.095 -6.932 604 HG21 THR 80 HG21 THR 80 17.987 -8.796 -5.845 605 HG22 THR 80 HG22 THR 80 17.386 -7.901 -4.449 606 HG23 THR 80 HG23 THR 80 18.442 -7.108 -5.619 607 H ASP 81 H ASP 81 15.750 -4.946 -7.904 608 HA ASP 81 HA ASP 81 13.157 -3.883 -7.903 609 HB2 ASP 81 HB2 ASP 81 14.999 -4.569 -10.197 610 HB3 ASP 81 HB3 ASP 81 13.511 -3.640 -10.367 611 H VAL 82 H VAL 82 14.355 -6.998 -9.098 612 HA VAL 82 HA VAL 82 12.188 -7.802 -10.626 613 HB VAL 82 HB VAL 82 14.416 -9.020 -10.187 614 HG11 VAL 82 HG11 VAL 82 12.823 -10.521 -8.127 615 HG12 VAL 82 HG12 VAL 82 13.762 -9.109 -7.648 616 HG13 VAL 82 HG13 VAL 82 14.568 -10.494 -8.379 617 HG21 VAL 82 HG21 VAL 82 13.347 -11.217 -10.695 618 HG22 VAL 82 HG22 VAL 82 12.680 -9.905 -11.666 619 HG23 VAL 82 HG23 VAL 82 11.780 -10.523 -10.279 620 H HIS 83 H HIS 83 12.544 -7.840 -7.108 621 HA HIS 83 HA HIS 83 10.310 -9.396 -6.456 622 HB2 HIS 83 HB2 HIS 83 11.555 -7.056 -4.996 623 HB3 HIS 83 HB3 HIS 83 10.326 -8.114 -4.302 624 HD2 HIS 83 HD2 HIS 83 11.230 -10.748 -3.681 625 HE1 HIS 83 HE1 HIS 83 15.296 -10.017 -4.555 626 HE2 HIS 83 HE2 HIS 83 13.668 -11.673 -3.527 627 H PHE 84 H PHE 84 10.572 -5.898 -7.027 628 HA PHE 84 HA PHE 84 7.879 -5.256 -6.478 629 HB2 PHE 84 HB2 PHE 84 9.719 -3.591 -6.660 630 HB3 PHE 84 HB3 PHE 84 9.766 -3.874 -8.400 631 HD1 PHE 84 HD1 PHE 84 7.711 -2.576 -5.605 632 HD2 PHE 84 HD2 PHE 84 8.059 -3.005 -9.864 633 HE1 PHE 84 HE1 PHE 84 5.857 -0.961 -5.918 634 HE2 PHE 84 HE2 PHE 84 6.204 -1.389 -10.178 635 HZ PHE 84 HZ PHE 84 5.103 -0.367 -8.206 636 H ASP 85 H ASP 85 9.536 -6.079 -9.510 637 HA ASP 85 HA ASP 85 7.356 -5.730 -11.243 638 HB2 ASP 85 HB2 ASP 85 9.732 -6.039 -11.945 639 HB3 ASP 85 HB3 ASP 85 9.593 -7.744 -11.523 640 H ALA 86 H ALA 86 8.349 -8.496 -9.280 641 HA ALA 86 HA ALA 86 6.529 -10.363 -10.402 642 HB1 ALA 86 HB1 ALA 86 7.213 -10.723 -7.562 643 HB2 ALA 86 HB2 ALA 86 8.601 -10.524 -8.632 644 HB3 ALA 86 HB3 ALA 86 7.438 -11.817 -8.927 645 H ILE 87 H ILE 87 6.375 -8.655 -7.257 646 HA ILE 87 HA ILE 87 3.721 -9.431 -6.690 647 HB ILE 87 HB ILE 87 5.438 -8.497 -5.062 648 HG12 ILE 87 HG12 ILE 87 2.754 -7.094 -4.997 649 HG13 ILE 87 HG13 ILE 87 2.942 -8.810 -4.634 650 HG21 ILE 87 HG21 ILE 87 4.379 -5.842 -6.063 651 HG22 ILE 87 HG22 ILE 87 5.945 -6.499 -6.538 652 HG23 ILE 87 HG23 ILE 87 5.628 -6.110 -4.847 653 HD11 ILE 87 HD11 ILE 87 4.650 -6.766 -3.231 654 HD12 ILE 87 HD12 ILE 87 4.220 -8.395 -2.709 655 HD13 ILE 87 HD13 ILE 87 3.016 -7.106 -2.661 656 H ALA 88 H ALA 88 5.058 -6.739 -8.502 657 HA ALA 88 HA ALA 88 2.662 -5.205 -8.650 658 HB1 ALA 88 HB1 ALA 88 3.817 -4.101 -10.587 659 HB2 ALA 88 HB2 ALA 88 5.123 -5.272 -10.406 660 HB3 ALA 88 HB3 ALA 88 4.772 -4.135 -9.104 661 H GLU 89 H GLU 89 4.155 -7.611 -10.790 662 HA GLU 89 HA GLU 89 2.270 -7.436 -12.882 663 HB2 GLU 89 HB2 GLU 89 4.485 -8.562 -13.056 664 HB3 GLU 89 HB3 GLU 89 3.868 -9.863 -12.036 665 HG2 GLU 89 HG2 GLU 89 2.045 -10.249 -13.693 666 HG3 GLU 89 HG3 GLU 89 2.765 -9.019 -14.731 667 H ASN 90 H ASN 90 2.336 -9.330 -9.904 668 HA ASN 90 HA ASN 90 0.215 -11.077 -10.437 669 HB2 ASN 90 HB2 ASN 90 1.096 -9.846 -7.817 670 HB3 ASN 90 HB3 ASN 90 -0.031 -11.194 -7.959 671 HD21 ASN 90 HD21 ASN 90 2.478 -11.482 -6.599 672 HD22 ASN 90 HD22 ASN 90 3.451 -12.540 -7.503 673 H LEU 91 H LEU 91 0.218 -7.749 -9.244 674 HA LEU 91 HA LEU 91 -2.508 -7.583 -8.549 675 HB2 LEU 91 HB2 LEU 91 -0.778 -5.899 -7.929 676 HB3 LEU 91 HB3 LEU 91 -0.738 -5.370 -9.610 677 HG LEU 91 HG LEU 91 -3.202 -4.907 -9.462 678 HD11 LEU 91 HD11 LEU 91 -4.245 -5.931 -7.727 679 HD12 LEU 91 HD12 LEU 91 -3.639 -4.590 -6.755 680 HD13 LEU 91 HD13 LEU 91 -2.746 -6.109 -6.817 681 HD21 LEU 91 HD21 LEU 91 -1.100 -3.510 -7.873 682 HD22 LEU 91 HD22 LEU 91 -2.769 -3.001 -7.617 683 HD23 LEU 91 HD23 LEU 91 -2.061 -2.920 -9.230 684 H VAL 92 H VAL 92 -0.822 -7.049 -11.615 685 HA VAL 92 HA VAL 92 -3.033 -6.038 -13.058 686 HB VAL 92 HB VAL 92 -0.574 -7.536 -13.987 687 HG11 VAL 92 HG11 VAL 92 -1.861 -7.778 -15.871 688 HG12 VAL 92 HG12 VAL 92 -1.366 -6.105 -16.134 689 HG13 VAL 92 HG13 VAL 92 -2.943 -6.457 -15.427 690 HG21 VAL 92 HG21 VAL 92 0.343 -5.380 -14.417 691 HG22 VAL 92 HG22 VAL 92 -0.395 -5.246 -12.821 692 HG23 VAL 92 HG23 VAL 92 -1.225 -4.592 -14.232 693 H LEU 93 H LEU 93 -1.787 -9.330 -12.613 694 HA LEU 93 HA LEU 93 -3.613 -10.621 -14.344 695 HB2 LEU 93 HB2 LEU 93 -2.244 -11.732 -11.882 696 HB3 LEU 93 HB3 LEU 93 -2.956 -12.673 -13.192 697 HG LEU 93 HG LEU 93 -0.629 -10.746 -13.448 698 HD11 LEU 93 HD11 LEU 93 -0.098 -12.913 -12.350 699 HD12 LEU 93 HD12 LEU 93 0.672 -12.765 -13.930 700 HD13 LEU 93 HD13 LEU 93 -0.771 -13.762 -13.742 701 HD21 LEU 93 HD21 LEU 93 -0.618 -12.028 -15.775 702 HD22 LEU 93 HD22 LEU 93 -1.627 -10.600 -15.541 703 HD23 LEU 93 HD23 LEU 93 -2.337 -12.211 -15.428 704 H THR 94 H THR 94 -3.780 -9.732 -10.933 705 HA THR 94 HA THR 94 -6.054 -11.198 -10.205 706 HB THR 94 HB THR 94 -5.255 -8.458 -9.200 707 HG1 THR 94 HG1 THR 94 -3.551 -9.922 -9.041 708 HG21 THR 94 HG21 THR 94 -7.075 -8.694 -7.900 709 HG22 THR 94 HG22 THR 94 -6.299 -10.096 -7.164 710 HG23 THR 94 HG23 THR 94 -7.378 -10.308 -8.542 711 H LEU 95 H LEU 95 -5.764 -7.969 -11.655 712 HA LEU 95 HA LEU 95 -8.517 -7.326 -11.581 713 HB2 LEU 95 HB2 LEU 95 -6.406 -6.398 -13.547 714 HB3 LEU 95 HB3 LEU 95 -7.966 -5.624 -13.260 715 HG LEU 95 HG LEU 95 -5.746 -5.972 -11.220 716 HD11 LEU 95 HD11 LEU 95 -5.901 -3.401 -11.310 717 HD12 LEU 95 HD12 LEU 95 -6.793 -3.629 -12.814 718 HD13 LEU 95 HD13 LEU 95 -5.131 -4.202 -12.679 719 HD21 LEU 95 HD21 LEU 95 -7.658 -6.024 -9.896 720 HD22 LEU 95 HD22 LEU 95 -8.602 -5.073 -11.044 721 HD23 LEU 95 HD23 LEU 95 -7.403 -4.283 -10.020 722 H GLN 96 H GLN 96 -6.540 -9.091 -13.905 723 HA GLN 96 HA GLN 96 -8.390 -9.213 -16.022 724 HB2 GLN 96 HB2 GLN 96 -6.258 -11.188 -15.175 725 HB3 GLN 96 HB3 GLN 96 -7.123 -11.247 -16.711 726 HG2 GLN 96 HG2 GLN 96 -6.289 -9.014 -17.292 727 HG3 GLN 96 HG3 GLN 96 -5.463 -8.903 -15.739 728 HE21 GLN 96 HE21 GLN 96 -3.982 -8.717 -18.159 729 HE22 GLN 96 HE22 GLN 96 -3.013 -10.102 -18.311 730 H GLU 97 H GLU 97 -8.006 -11.167 -13.116 731 HA GLU 97 HA GLU 97 -9.821 -13.228 -13.791 732 HB2 GLU 97 HB2 GLU 97 -8.991 -12.140 -11.091 733 HB3 GLU 97 HB3 GLU 97 -9.904 -13.629 -11.334 734 HG2 GLU 97 HG2 GLU 97 -8.059 -14.511 -12.740 735 HG3 GLU 97 HG3 GLU 97 -7.139 -13.041 -12.427 736 H LEU 98 H LEU 98 -10.241 -10.009 -12.489 737 HA LEU 98 HA LEU 98 -13.014 -10.418 -11.771 738 HB2 LEU 98 HB2 LEU 98 -11.455 -7.836 -12.026 739 HB3 LEU 98 HB3 LEU 98 -13.002 -8.053 -11.208 740 HG LEU 98 HG LEU 98 -10.369 -9.344 -10.430 741 HD11 LEU 98 HD11 LEU 98 -11.841 -7.725 -8.474 742 HD12 LEU 98 HD12 LEU 98 -11.315 -6.801 -9.882 743 HD13 LEU 98 HD13 LEU 98 -10.133 -7.680 -8.911 744 HD21 LEU 98 HD21 LEU 98 -11.935 -9.909 -8.367 745 HD22 LEU 98 HD22 LEU 98 -11.921 -10.954 -9.788 746 HD23 LEU 98 HD23 LEU 98 -13.213 -9.773 -9.575 747 H ASN 99 H ASN 99 -11.513 -10.211 -14.672 748 HA ASN 99 HA ASN 99 -12.236 -9.775 -16.809 749 HB2 ASN 99 HB2 ASN 99 -14.279 -10.994 -15.830 750 HB3 ASN 99 HB3 ASN 99 -15.003 -9.394 -15.682 751 HD21 ASN 99 HD21 ASN 99 -16.407 -10.899 -17.385 752 HD22 ASN 99 HD22 ASN 99 -16.048 -10.558 -19.008 753 H VAL 100 H VAL 100 -11.066 -7.659 -15.646 754 HA VAL 100 HA VAL 100 -12.835 -5.343 -16.061 755 HB VAL 100 HB VAL 100 -10.045 -5.462 -14.890 756 HG11 VAL 100 HG11 VAL 100 -10.600 -3.171 -14.112 757 HG12 VAL 100 HG12 VAL 100 -12.129 -3.259 -14.986 758 HG13 VAL 100 HG13 VAL 100 -10.605 -3.282 -15.872 759 HG21 VAL 100 HG21 VAL 100 -12.435 -4.807 -13.245 760 HG22 VAL 100 HG22 VAL 100 -10.981 -5.704 -12.807 761 HG23 VAL 100 HG23 VAL 100 -12.262 -6.495 -13.727 762 H SER 101 H SER 101 -12.498 -3.880 -17.669 763 HA SER 101 HA SER 101 -11.212 -4.625 -20.022 764 HB2 SER 101 HB2 SER 101 -12.942 -2.871 -19.897 765 HB3 SER 101 HB3 SER 101 -11.806 -1.816 -19.061 766 HG SER 101 HG SER 101 -10.743 -2.869 -21.325 767 H GLN 102 H GLN 102 -9.228 -4.287 -20.893 768 HA GLN 102 HA GLN 102 -6.990 -4.059 -19.225 769 HB2 GLN 102 HB2 GLN 102 -7.031 -5.100 -21.504 770 HB3 GLN 102 HB3 GLN 102 -7.078 -3.475 -22.191 771 HG2 GLN 102 HG2 GLN 102 -4.774 -4.131 -22.174 772 HG3 GLN 102 HG3 GLN 102 -4.972 -2.977 -20.857 773 HE21 GLN 102 HE21 GLN 102 -3.615 -3.712 -19.203 774 HE22 GLN 102 HE22 GLN 102 -3.574 -5.310 -18.633 775 H ASP 103 H ASP 103 -8.712 -1.615 -21.114 776 HA ASP 103 HA ASP 103 -6.863 0.465 -20.992 777 HB2 ASP 103 HB2 ASP 103 -9.885 0.548 -20.916 778 HB3 ASP 103 HB3 ASP 103 -8.867 1.971 -21.132 779 H LEU 104 H LEU 104 -9.320 -0.504 -18.614 780 HA LEU 104 HA LEU 104 -8.804 1.626 -16.798 781 HB2 LEU 104 HB2 LEU 104 -9.957 -1.121 -16.256 782 HB3 LEU 104 HB3 LEU 104 -10.058 0.271 -15.179 783 HG LEU 104 HG LEU 104 -11.216 0.108 -17.978 784 HD11 LEU 104 HD11 LEU 104 -12.935 -0.893 -16.907 785 HD12 LEU 104 HD12 LEU 104 -13.222 0.660 -16.120 786 HD13 LEU 104 HD13 LEU 104 -12.230 -0.562 -15.323 787 HD21 LEU 104 HD21 LEU 104 -12.344 2.292 -16.949 788 HD22 LEU 104 HD22 LEU 104 -10.776 2.374 -17.753 789 HD23 LEU 104 HD23 LEU 104 -10.862 2.323 -15.992 790 H ILE 105 H ILE 105 -7.495 -1.620 -17.199 791 HA ILE 105 HA ILE 105 -6.027 -1.761 -14.795 792 HB ILE 105 HB ILE 105 -5.432 -3.035 -17.476 793 HG12 ILE 105 HG12 ILE 105 -6.912 -4.114 -15.056 794 HG13 ILE 105 HG13 ILE 105 -7.696 -3.523 -16.521 795 HG21 ILE 105 HG21 ILE 105 -3.570 -3.803 -16.466 796 HG22 ILE 105 HG22 ILE 105 -4.602 -4.647 -15.311 797 HG23 ILE 105 HG23 ILE 105 -4.022 -3.020 -14.951 798 HD11 ILE 105 HD11 ILE 105 -7.488 -5.613 -17.344 799 HD12 ILE 105 HD12 ILE 105 -6.420 -6.094 -16.026 800 HD13 ILE 105 HD13 ILE 105 -5.756 -5.301 -17.454 801 H ASP 106 H ASP 106 -5.229 -0.442 -17.981 802 HA ASP 106 HA ASP 106 -2.496 0.013 -17.587 803 HB2 ASP 106 HB2 ASP 106 -4.527 1.554 -19.214 804 HB3 ASP 106 HB3 ASP 106 -2.787 1.829 -19.298 805 H GLU 107 H GLU 107 -5.306 2.014 -16.752 806 HA GLU 107 HA GLU 107 -3.821 4.254 -15.831 807 HB2 GLU 107 HB2 GLU 107 -6.610 3.302 -15.139 808 HB3 GLU 107 HB3 GLU 107 -5.944 4.866 -14.670 809 HG2 GLU 107 HG2 GLU 107 -5.557 5.394 -17.066 810 HG3 GLU 107 HG3 GLU 107 -6.294 3.856 -17.507 811 H VAL 108 H VAL 108 -5.015 1.323 -14.276 812 HA VAL 108 HA VAL 108 -4.397 2.066 -11.608 813 HB VAL 108 HB VAL 108 -4.697 -0.646 -12.912 814 HG11 VAL 108 HG11 VAL 108 -3.540 -1.230 -10.995 815 HG12 VAL 108 HG12 VAL 108 -5.178 -1.156 -10.342 816 HG13 VAL 108 HG13 VAL 108 -4.074 0.200 -10.112 817 HG21 VAL 108 HG21 VAL 108 -6.902 -0.215 -12.749 818 HG22 VAL 108 HG22 VAL 108 -6.540 1.394 -12.125 819 HG23 VAL 108 HG23 VAL 108 -6.725 0.039 -11.012 820 H VAL 109 H VAL 109 -2.584 0.395 -14.142 821 HA VAL 109 HA VAL 109 -0.386 -0.430 -12.605 822 HB VAL 109 HB VAL 109 -0.584 0.334 -15.524 823 HG11 VAL 109 HG11 VAL 109 1.547 -1.103 -15.640 824 HG12 VAL 109 HG12 VAL 109 1.674 -0.849 -13.900 825 HG13 VAL 109 HG13 VAL 109 1.727 0.530 -14.998 826 HG21 VAL 109 HG21 VAL 109 -1.822 -1.705 -14.365 827 HG22 VAL 109 HG22 VAL 109 -0.220 -2.439 -14.438 828 HG23 VAL 109 HG23 VAL 109 -1.019 -1.917 -15.921 829 H THR 110 H THR 110 -1.013 2.615 -14.313 830 HA THR 110 HA THR 110 1.507 3.798 -13.927 831 HB THR 110 HB THR 110 -1.177 5.190 -14.044 832 HG1 THR 110 HG1 THR 110 -1.197 4.487 -16.003 833 HG21 THR 110 HG21 THR 110 0.339 6.955 -15.153 834 HG22 THR 110 HG22 THR 110 1.683 6.061 -14.443 835 HG23 THR 110 HG23 THR 110 0.454 6.780 -13.403 836 H ILE 111 H ILE 111 -1.394 3.773 -11.889 837 HA ILE 111 HA ILE 111 -0.535 5.599 -9.939 838 HB ILE 111 HB ILE 111 -2.326 3.177 -9.635 839 HG12 ILE 111 HG12 ILE 111 -2.998 6.100 -10.097 840 HG13 ILE 111 HG13 ILE 111 -3.018 4.864 -11.355 841 HG21 ILE 111 HG21 ILE 111 -3.096 5.183 -7.854 842 HG22 ILE 111 HG22 ILE 111 -1.335 5.165 -7.745 843 HG23 ILE 111 HG23 ILE 111 -2.253 3.691 -7.438 844 HD11 ILE 111 HD11 ILE 111 -5.048 5.477 -9.401 845 HD12 ILE 111 HD12 ILE 111 -4.502 3.812 -9.187 846 HD13 ILE 111 HD13 ILE 111 -5.122 4.344 -10.751 847 H VAL 112 H VAL 112 -0.292 2.038 -9.953 848 HA VAL 112 HA VAL 112 1.386 2.049 -7.592 849 HB VAL 112 HB VAL 112 1.401 -0.364 -7.835 850 HG11 VAL 112 HG11 VAL 112 -0.699 -0.404 -7.024 851 HG12 VAL 112 HG12 VAL 112 -1.360 -0.138 -8.637 852 HG13 VAL 112 HG13 VAL 112 -0.926 1.239 -7.623 853 HG21 VAL 112 HG21 VAL 112 1.703 -0.807 -10.116 854 HG22 VAL 112 HG22 VAL 112 0.435 0.320 -10.601 855 HG23 VAL 112 HG23 VAL 112 0.007 -1.233 -9.884 856 H GLY 113 H GLY 113 1.805 2.113 -11.017 857 HA2 GLY 113 HA2 GLY 113 4.565 1.191 -10.925 858 HA3 GLY 113 HA3 GLY 113 3.677 1.697 -12.358 859 H SER 114 H SER 114 3.352 3.875 -9.773 860 HA SER 114 HA SER 114 4.538 6.020 -11.141 861 HB2 SER 114 HB2 SER 114 4.080 5.742 -8.162 862 HB3 SER 114 HB3 SER 114 4.343 7.250 -9.033 863 HG SER 114 HG SER 114 2.097 6.673 -8.638 864 H VAL 115 H VAL 115 6.523 7.018 -10.995 865 HA VAL 115 HA VAL 115 8.767 5.373 -10.435 866 HB VAL 115 HB VAL 115 8.538 8.343 -10.949 867 HG11 VAL 115 HG11 VAL 115 10.854 6.579 -10.308 868 HG12 VAL 115 HG12 VAL 115 10.625 8.297 -9.979 869 HG13 VAL 115 HG13 VAL 115 11.079 7.761 -11.597 870 HG21 VAL 115 HG21 VAL 115 8.975 7.827 -13.189 871 HG22 VAL 115 HG22 VAL 115 7.955 6.472 -12.705 872 HG23 VAL 115 HG23 VAL 115 9.705 6.271 -12.790 873 H GLN 116 H GLN 116 7.259 8.066 -8.686 874 HA GLN 116 HA GLN 116 9.189 8.354 -6.670 875 HB2 GLN 116 HB2 GLN 116 7.289 9.924 -7.125 876 HB3 GLN 116 HB3 GLN 116 6.208 8.757 -6.363 877 HG2 GLN 116 HG2 GLN 116 7.498 8.891 -4.279 878 HG3 GLN 116 HG3 GLN 116 8.620 10.023 -5.032 879 HE21 GLN 116 HE21 GLN 116 7.369 10.978 -2.784 880 HE22 GLN 116 HE22 GLN 116 6.152 12.090 -3.194 881 H HIS 117 H HIS 117 6.293 6.284 -6.794 882 HA HIS 117 HA HIS 117 6.576 5.241 -4.173 883 HB2 HIS 117 HB2 HIS 117 4.495 5.107 -5.563 884 HB3 HIS 117 HB3 HIS 117 5.289 3.876 -6.546 885 HD1 HIS 117 HD1 HIS 117 5.463 4.242 -2.767 886 HD2 HIS 117 HD2 HIS 117 3.995 1.581 -5.620 887 HE1 HIS 117 HE1 HIS 117 4.657 2.213 -1.495 888 H ARG 118 H ARG 118 7.606 3.999 -7.346 889 HA ARG 118 HA ARG 118 8.731 1.589 -6.455 890 HB2 ARG 118 HB2 ARG 118 8.322 2.168 -8.838 891 HB3 ARG 118 HB3 ARG 118 9.666 3.309 -8.764 892 HG2 ARG 118 HG2 ARG 118 11.185 1.451 -8.127 893 HG3 ARG 118 HG3 ARG 118 9.838 0.321 -8.275 894 HD2 ARG 118 HD2 ARG 118 9.563 1.024 -10.652 895 HD3 ARG 118 HD3 ARG 118 10.989 2.044 -10.487 896 HE ARG 118 HE ARG 118 10.954 -0.826 -10.785 897 HH11 ARG 118 HH11 ARG 118 12.645 1.921 -9.534 898 HH12 ARG 118 HH12 ARG 118 14.199 1.158 -9.576 899 HH21 ARG 118 HH21 ARG 118 12.988 -1.835 -10.841 900 HH22 ARG 118 HH22 ARG 118 14.394 -0.969 -10.316 901 H ASN 119 H ASN 119 10.158 4.819 -6.808 902 HA ASN 119 HA ASN 119 12.797 4.108 -6.088 903 HB2 ASN 119 HB2 ASN 119 11.325 6.738 -5.821 904 HB3 ASN 119 HB3 ASN 119 13.061 6.538 -5.593 905 HD21 ASN 119 HD21 ASN 119 12.045 8.221 -7.667 906 HD22 ASN 119 HD22 ASN 119 12.409 7.507 -9.163 907 H ASP 120 H ASP 120 9.976 5.053 -4.193 908 HA ASP 120 HA ASP 120 11.228 5.444 -1.712 909 HB2 ASP 120 HB2 ASP 120 8.453 4.451 -2.383 910 HB3 ASP 120 HB3 ASP 120 8.976 4.890 -0.758 911 H VAL 121 H VAL 121 10.043 2.504 -3.281 912 HA VAL 121 HA VAL 121 10.370 0.755 -1.088 913 HB VAL 121 HB VAL 121 10.468 0.258 -4.071 914 HG11 VAL 121 HG11 VAL 121 9.932 -2.144 -3.231 915 HG12 VAL 121 HG12 VAL 121 10.634 -1.603 -1.707 916 HG13 VAL 121 HG13 VAL 121 11.608 -1.598 -3.177 917 HG21 VAL 121 HG21 VAL 121 8.247 -0.894 -2.656 918 HG22 VAL 121 HG22 VAL 121 8.220 0.337 -3.919 919 HG23 VAL 121 HG23 VAL 121 8.370 0.812 -2.228 920 H LEU 122 H LEU 122 12.564 1.733 -3.691 921 HA LEU 122 HA LEU 122 14.725 0.077 -2.705 922 HB2 LEU 122 HB2 LEU 122 14.733 2.263 -4.802 923 HB3 LEU 122 HB3 LEU 122 16.026 1.100 -4.512 924 HG LEU 122 HG LEU 122 13.196 0.427 -5.372 925 HD11 LEU 122 HD11 LEU 122 15.813 0.102 -6.867 926 HD12 LEU 122 HD12 LEU 122 14.711 1.457 -7.108 927 HD13 LEU 122 HD13 LEU 122 14.188 -0.182 -7.491 928 HD21 LEU 122 HD21 LEU 122 13.805 -1.471 -4.195 929 HD22 LEU 122 HD22 LEU 122 15.529 -1.192 -4.432 930 HD23 LEU 122 HD23 LEU 122 14.552 -1.845 -5.747 931 H ASN 123 H ASN 123 13.425 3.083 -1.907 932 HA ASN 123 HA ASN 123 14.117 4.792 -0.541 933 HB2 ASN 123 HB2 ASN 123 16.222 2.779 0.288 934 HB3 ASN 123 HB3 ASN 123 15.813 4.256 1.157 935 HD21 ASN 123 HD21 ASN 123 15.471 1.272 1.877 936 HD22 ASN 123 HD22 ASN 123 13.840 1.153 2.332 937 H ARG 124 H ARG 124 15.015 4.832 -3.203 938 HA ARG 124 HA ARG 124 17.363 6.531 -2.898 939 HB2 ARG 124 HB2 ARG 124 17.354 4.095 -4.696 940 HB3 ARG 124 HB3 ARG 124 18.554 5.385 -4.771 941 HG2 ARG 124 HG2 ARG 124 19.066 4.957 -2.345 942 HG3 ARG 124 HG3 ARG 124 17.996 3.556 -2.420 943 HD2 ARG 124 HD2 ARG 124 19.389 2.680 -4.319 944 HD3 ARG 124 HD3 ARG 124 20.516 4.003 -4.036 945 HE ARG 124 HE ARG 124 19.918 2.318 -1.728 946 HH11 ARG 124 HH11 ARG 124 21.979 3.072 -4.404 947 HH12 ARG 124 HH12 ARG 124 23.362 2.265 -3.744 948 HH21 ARG 124 HH21 ARG 124 21.727 1.258 -0.856 949 HH22 ARG 124 HH22 ARG 124 23.220 1.237 -1.735 950 HHA HEB 125 HHA HEB 125 3.791 -2.146 6.398 951 HHB HEB 125 HHB HEB 125 1.736 1.395 1.572 952 HHC HEB 125 HHC HEB 125 5.239 -2.058 -2.432 953 HHD HEB 125 HHD HEB 125 7.221 -5.625 2.372 954 HMA1 HEB 125 HMA1 HEB 125 1.362 2.493 3.498 955 HMA2 HEB 125 HMA2 HEB 125 1.083 2.155 5.201 956 HMA3 HEB 125 HMA3 HEB 125 0.050 1.416 3.977 957 HAA1 HEB 125 HAA1 HEB 125 1.928 -1.047 7.021 958 HAA2 HEB 125 HAA2 HEB 125 1.072 0.437 6.653 959 HBA1 HEB 125 HBA1 HEB 125 3.150 1.723 6.990 960 HBA2 HEB 125 HBA2 HEB 125 4.008 0.230 7.365 961 HMB1 HEB 125 HMB1 HEB 125 2.092 2.127 -2.098 962 HMB2 HEB 125 HMB2 HEB 125 2.043 2.575 -0.392 963 HMB3 HEB 125 HMB3 HEB 125 0.841 1.463 -1.048 964 HAB2 HEB 125 HAB2 HEB 125 4.149 -0.640 -3.589 965 HBB1 HEB 125 HBB1 HEB 125 1.414 -0.130 -2.985 966 HBB2 HEB 125 HBB2 HEB 125 2.113 -0.727 -4.490 967 HBB3 HEB 125 HBB3 HEB 125 1.926 1.006 -4.233 968 HMC1 HEB 125 HMC1 HEB 125 7.600 -3.347 -2.908 969 HMC2 HEB 125 HMC2 HEB 125 6.053 -4.128 -3.234 970 HMC3 HEB 125 HMC3 HEB 125 7.452 -5.098 -2.771 971 HAC HEB 125 HAC HEB 125 8.877 -5.741 0.093 972 HBC1 HEB 125 HBC1 HEB 125 6.409 -7.213 -1.046 973 HBC2 HEB 125 HBC2 HEB 125 8.106 -7.916 -0.768 974 HMD1 HEB 125 HMD1 HEB 125 6.618 -6.503 5.989 975 HMD2 HEB 125 HMD2 HEB 125 8.029 -5.746 5.252 976 HMD3 HEB 125 HMD3 HEB 125 6.961 -6.764 4.284 977 HAD1 HEB 125 HAD1 HEB 125 5.370 -3.289 7.546 978 HAD2 HEB 125 HAD2 HEB 125 6.235 -4.808 7.427 979 HBD1 HEB 125 HBD1 HEB 125 4.318 -6.074 7.552 980 HBD2 HEB 125 HBD2 HEB 125 3.323 -4.835 6.790 Start of MODEL 11 1 H1 ALA 2 H1 ALA 2 -12.067 11.907 -0.477 2 H2 ALA 2 H2 ALA 2 -11.610 10.968 0.862 3 H3 ALA 2 H3 ALA 2 -13.171 11.633 0.781 4 HA ALA 2 HA ALA 2 -13.932 9.853 -0.256 5 HB1 ALA 2 HB1 ALA 2 -12.881 11.168 -2.260 6 HB2 ALA 2 HB2 ALA 2 -13.355 9.486 -2.498 7 HB3 ALA 2 HB3 ALA 2 -11.660 9.896 -2.229 8 H SER 3 H SER 3 -13.724 7.621 -0.125 9 HA SER 3 HA SER 3 -11.070 6.584 0.657 10 HB2 SER 3 HB2 SER 3 -12.096 5.223 2.383 11 HB3 SER 3 HB3 SER 3 -12.520 6.911 2.655 12 HG SER 3 HG SER 3 -14.531 6.389 2.377 13 H LEU 4 H LEU 4 -10.813 4.276 0.332 14 HA LEU 4 HA LEU 4 -11.598 3.394 -2.197 15 HB2 LEU 4 HB2 LEU 4 -9.662 2.511 -0.899 16 HB3 LEU 4 HB3 LEU 4 -10.793 1.676 0.161 17 HG LEU 4 HG LEU 4 -11.732 0.557 -1.939 18 HD11 LEU 4 HD11 LEU 4 -9.880 0.431 -3.761 19 HD12 LEU 4 HD12 LEU 4 -9.298 1.940 -3.059 20 HD13 LEU 4 HD13 LEU 4 -10.925 1.849 -3.733 21 HD21 LEU 4 HD21 LEU 4 -10.415 -0.797 -0.515 22 HD22 LEU 4 HD22 LEU 4 -8.940 0.094 -0.892 23 HD23 LEU 4 HD23 LEU 4 -9.655 -0.977 -2.097 24 H TYR 5 H TYR 5 -13.064 2.869 0.967 25 HA TYR 5 HA TYR 5 -14.891 0.852 0.273 26 HB2 TYR 5 HB2 TYR 5 -15.169 3.073 2.313 27 HB3 TYR 5 HB3 TYR 5 -16.179 1.630 2.238 28 HD1 TYR 5 HD1 TYR 5 -15.190 -0.619 2.640 29 HD2 TYR 5 HD2 TYR 5 -12.925 2.989 3.179 30 HE1 TYR 5 HE1 TYR 5 -13.499 -1.877 3.947 31 HE2 TYR 5 HE2 TYR 5 -11.234 1.731 4.486 32 HH TYR 5 HH TYR 5 -11.691 -1.047 5.890 33 H GLU 6 H GLU 6 -15.124 4.378 0.033 34 HA GLU 6 HA GLU 6 -17.858 4.477 -0.699 35 HB2 GLU 6 HB2 GLU 6 -15.588 6.405 -1.217 36 HB3 GLU 6 HB3 GLU 6 -17.283 6.760 -1.550 37 HG2 GLU 6 HG2 GLU 6 -16.180 5.977 1.164 38 HG3 GLU 6 HG3 GLU 6 -16.559 7.625 0.669 39 H LYS 7 H LYS 7 -14.891 4.147 -2.599 40 HA LYS 7 HA LYS 7 -16.042 4.567 -5.145 41 HB2 LYS 7 HB2 LYS 7 -13.694 2.784 -4.459 42 HB3 LYS 7 HB3 LYS 7 -14.052 3.497 -6.030 43 HG2 LYS 7 HG2 LYS 7 -13.501 5.097 -3.514 44 HG3 LYS 7 HG3 LYS 7 -12.300 4.756 -4.758 45 HD2 LYS 7 HD2 LYS 7 -13.980 5.807 -6.412 46 HD3 LYS 7 HD3 LYS 7 -14.798 6.438 -4.980 47 HE2 LYS 7 HE2 LYS 7 -13.305 8.165 -5.573 48 HE3 LYS 7 HE3 LYS 7 -12.468 7.312 -4.276 49 HZ1 LYS 7 HZ1 LYS 7 -11.621 7.715 -6.912 50 HZ2 LYS 7 HZ2 LYS 7 -11.854 6.048 -6.692 51 HZ3 LYS 7 HZ3 LYS 7 -10.812 6.906 -5.661 52 H LEU 8 H LEU 8 -15.285 1.505 -3.463 53 HA LEU 8 HA LEU 8 -16.587 -0.112 -5.424 54 HB2 LEU 8 HB2 LEU 8 -15.847 -0.775 -2.563 55 HB3 LEU 8 HB3 LEU 8 -16.265 -1.939 -3.822 56 HG LEU 8 HG LEU 8 -13.902 -0.035 -3.867 57 HD11 LEU 8 HD11 LEU 8 -14.264 -2.948 -3.251 58 HD12 LEU 8 HD12 LEU 8 -13.233 -1.759 -2.456 59 HD13 LEU 8 HD13 LEU 8 -12.771 -2.418 -4.025 60 HD21 LEU 8 HD21 LEU 8 -15.150 -1.834 -5.913 61 HD22 LEU 8 HD22 LEU 8 -13.393 -1.691 -5.884 62 HD23 LEU 8 HD23 LEU 8 -14.391 -0.257 -6.127 63 H GLY 9 H GLY 9 -17.572 1.278 -2.332 64 HA2 GLY 9 HA2 GLY 9 -19.730 1.782 -1.624 65 HA3 GLY 9 HA3 GLY 9 -20.359 0.984 -3.061 66 H GLY 10 H GLY 10 -18.074 -0.868 -1.322 67 HA2 GLY 10 HA2 GLY 10 -19.890 -2.079 0.552 68 HA3 GLY 10 HA3 GLY 10 -19.641 -3.075 -0.879 69 H ALA 11 H ALA 11 -18.474 -2.300 2.174 70 HA ALA 11 HA ALA 11 -15.690 -2.704 1.862 71 HB1 ALA 11 HB1 ALA 11 -15.628 -2.964 4.254 72 HB2 ALA 11 HB2 ALA 11 -17.352 -3.330 4.307 73 HB3 ALA 11 HB3 ALA 11 -16.807 -1.708 3.877 74 H ALA 12 H ALA 12 -18.390 -4.915 2.307 75 HA ALA 12 HA ALA 12 -16.927 -7.233 2.953 76 HB1 ALA 12 HB1 ALA 12 -19.369 -7.467 1.258 77 HB2 ALA 12 HB2 ALA 12 -19.538 -6.718 2.846 78 HB3 ALA 12 HB3 ALA 12 -18.915 -8.361 2.709 79 H ALA 13 H ALA 13 -17.702 -5.717 -0.129 80 HA ALA 13 HA ALA 13 -16.905 -7.848 -1.809 81 HB1 ALA 13 HB1 ALA 13 -17.158 -6.358 -3.567 82 HB2 ALA 13 HB2 ALA 13 -16.558 -4.989 -2.632 83 HB3 ALA 13 HB3 ALA 13 -18.181 -5.615 -2.337 84 H VAL 14 H VAL 14 -15.115 -5.311 -0.174 85 HA VAL 14 HA VAL 14 -12.714 -5.439 -1.632 86 HB VAL 14 HB VAL 14 -13.196 -4.798 1.286 87 HG11 VAL 14 HG11 VAL 14 -10.916 -3.473 0.520 88 HG12 VAL 14 HG12 VAL 14 -10.740 -5.008 -0.331 89 HG13 VAL 14 HG13 VAL 14 -10.936 -4.989 1.421 90 HG21 VAL 14 HG21 VAL 14 -13.810 -2.744 0.572 91 HG22 VAL 14 HG22 VAL 14 -13.913 -3.433 -1.047 92 HG23 VAL 14 HG23 VAL 14 -12.428 -2.643 -0.518 93 H ASP 15 H ASP 15 -13.810 -7.271 1.209 94 HA ASP 15 HA ASP 15 -11.439 -8.693 1.685 95 HB2 ASP 15 HB2 ASP 15 -13.428 -8.594 3.204 96 HB3 ASP 15 HB3 ASP 15 -14.256 -9.704 2.113 97 H LEU 16 H LEU 16 -14.180 -9.414 -0.450 98 HA LEU 16 HA LEU 16 -13.338 -11.998 -1.229 99 HB2 LEU 16 HB2 LEU 16 -15.624 -11.048 -1.609 100 HB3 LEU 16 HB3 LEU 16 -14.939 -10.012 -2.859 101 HG LEU 16 HG LEU 16 -14.056 -12.137 -3.964 102 HD11 LEU 16 HD11 LEU 16 -14.297 -14.079 -2.856 103 HD12 LEU 16 HD12 LEU 16 -16.047 -13.906 -2.981 104 HD13 LEU 16 HD13 LEU 16 -15.197 -13.268 -1.575 105 HD21 LEU 16 HD21 LEU 16 -16.474 -12.778 -4.721 106 HD22 LEU 16 HD22 LEU 16 -15.888 -11.147 -5.049 107 HD23 LEU 16 HD23 LEU 16 -16.971 -11.438 -3.689 108 H ALA 17 H ALA 17 -12.720 -8.784 -2.604 109 HA ALA 17 HA ALA 17 -11.232 -9.744 -4.846 110 HB1 ALA 17 HB1 ALA 17 -12.107 -7.209 -3.816 111 HB2 ALA 17 HB2 ALA 17 -11.561 -7.612 -5.443 112 HB3 ALA 17 HB3 ALA 17 -10.392 -7.118 -4.218 113 H VAL 18 H VAL 18 -10.362 -8.570 -1.623 114 HA VAL 18 HA VAL 18 -7.561 -8.547 -1.999 115 HB VAL 18 HB VAL 18 -9.235 -8.862 0.498 116 HG11 VAL 18 HG11 VAL 18 -6.255 -8.497 0.109 117 HG12 VAL 18 HG12 VAL 18 -7.076 -9.773 1.009 118 HG13 VAL 18 HG13 VAL 18 -7.075 -8.119 1.624 119 HG21 VAL 18 HG21 VAL 18 -8.926 -6.698 -1.170 120 HG22 VAL 18 HG22 VAL 18 -7.637 -6.433 0.004 121 HG23 VAL 18 HG23 VAL 18 -9.309 -6.588 0.548 122 H GLU 19 H GLU 19 -9.786 -11.071 -0.880 123 HA GLU 19 HA GLU 19 -7.873 -12.946 -0.048 124 HB2 GLU 19 HB2 GLU 19 -10.328 -13.108 0.371 125 HB3 GLU 19 HB3 GLU 19 -10.552 -13.537 -1.325 126 HG2 GLU 19 HG2 GLU 19 -10.450 -15.591 -0.059 127 HG3 GLU 19 HG3 GLU 19 -8.949 -15.451 -0.971 128 H LYS 20 H LYS 20 -9.289 -12.359 -3.253 129 HA LYS 20 HA LYS 20 -8.104 -14.566 -4.560 130 HB2 LYS 20 HB2 LYS 20 -8.951 -11.868 -5.640 131 HB3 LYS 20 HB3 LYS 20 -8.500 -13.249 -6.641 132 HG2 LYS 20 HG2 LYS 20 -10.297 -14.586 -5.542 133 HG3 LYS 20 HG3 LYS 20 -10.788 -13.143 -4.654 134 HD2 LYS 20 HD2 LYS 20 -11.142 -11.974 -6.833 135 HD3 LYS 20 HD3 LYS 20 -10.775 -13.485 -7.667 136 HE2 LYS 20 HE2 LYS 20 -12.666 -14.270 -5.813 137 HE3 LYS 20 HE3 LYS 20 -13.231 -12.666 -6.281 138 HZ1 LYS 20 HZ1 LYS 20 -13.996 -14.618 -7.681 139 HZ2 LYS 20 HZ2 LYS 20 -12.410 -14.677 -8.287 140 HZ3 LYS 20 HZ3 LYS 20 -13.358 -13.285 -8.513 141 H PHE 21 H PHE 21 -7.015 -11.225 -4.092 142 HA PHE 21 HA PHE 21 -4.646 -11.420 -5.626 143 HB2 PHE 21 HB2 PHE 21 -5.610 -9.267 -4.972 144 HB3 PHE 21 HB3 PHE 21 -5.282 -9.622 -3.276 145 HD1 PHE 21 HD1 PHE 21 -3.573 -9.320 -6.599 146 HD2 PHE 21 HD2 PHE 21 -3.223 -9.039 -2.329 147 HE1 PHE 21 HE1 PHE 21 -1.273 -8.418 -6.843 148 HE2 PHE 21 HE2 PHE 21 -0.927 -8.138 -2.577 149 HZ PHE 21 HZ PHE 21 0.047 -7.828 -4.834 150 H TYR 22 H TYR 22 -5.294 -11.951 -2.176 151 HA TYR 22 HA TYR 22 -2.656 -12.335 -1.324 152 HB2 TYR 22 HB2 TYR 22 -4.571 -12.117 0.216 153 HB3 TYR 22 HB3 TYR 22 -5.150 -13.705 -0.291 154 HD1 TYR 22 HD1 TYR 22 -2.403 -11.900 1.425 155 HD2 TYR 22 HD2 TYR 22 -4.103 -15.728 0.478 156 HE1 TYR 22 HE1 TYR 22 -0.881 -12.978 3.059 157 HE2 TYR 22 HE2 TYR 22 -2.581 -16.808 2.112 158 HH TYR 22 HH TYR 22 -0.570 -14.916 4.276 159 H GLY 23 H GLY 23 -4.985 -14.643 -2.688 160 HA2 GLY 23 HA2 GLY 23 -3.500 -16.990 -2.332 161 HA3 GLY 23 HA3 GLY 23 -4.681 -16.730 -3.613 162 H LYS 24 H LYS 24 -3.504 -14.665 -5.025 163 HA LYS 24 HA LYS 24 -1.660 -16.034 -6.663 164 HB2 LYS 24 HB2 LYS 24 -3.111 -14.138 -7.403 165 HB3 LYS 24 HB3 LYS 24 -2.096 -13.043 -6.468 166 HG2 LYS 24 HG2 LYS 24 -1.193 -12.897 -8.637 167 HG3 LYS 24 HG3 LYS 24 -0.123 -14.043 -7.834 168 HD2 LYS 24 HD2 LYS 24 -1.215 -15.919 -8.871 169 HD3 LYS 24 HD3 LYS 24 -2.522 -14.899 -9.474 170 HE2 LYS 24 HE2 LYS 24 -1.345 -14.464 -11.338 171 HE3 LYS 24 HE3 LYS 24 -0.024 -13.811 -10.370 172 HZ1 LYS 24 HZ1 LYS 24 -0.059 -16.182 -11.814 173 HZ2 LYS 24 HZ2 LYS 24 -0.036 -16.620 -10.174 174 HZ3 LYS 24 HZ3 LYS 24 1.173 -15.603 -10.803 175 H VAL 25 H VAL 25 -1.237 -13.642 -4.093 176 HA VAL 25 HA VAL 25 1.536 -13.229 -4.398 177 HB VAL 25 HB VAL 25 -0.258 -13.029 -1.971 178 HG11 VAL 25 HG11 VAL 25 1.925 -11.377 -1.563 179 HG12 VAL 25 HG12 VAL 25 2.655 -12.826 -2.253 180 HG13 VAL 25 HG13 VAL 25 1.675 -12.942 -0.792 181 HG21 VAL 25 HG21 VAL 25 0.889 -10.590 -3.067 182 HG22 VAL 25 HG22 VAL 25 -0.803 -10.992 -2.775 183 HG23 VAL 25 HG23 VAL 25 -0.031 -11.468 -4.288 184 H LEU 26 H LEU 26 -0.311 -15.593 -2.517 185 HA LEU 26 HA LEU 26 1.810 -16.757 -1.100 186 HB2 LEU 26 HB2 LEU 26 -0.609 -17.195 -0.680 187 HB3 LEU 26 HB3 LEU 26 -0.660 -18.148 -2.162 188 HG LEU 26 HG LEU 26 1.196 -19.576 -1.211 189 HD11 LEU 26 HD11 LEU 26 1.158 -19.385 1.425 190 HD12 LEU 26 HD12 LEU 26 0.709 -17.714 1.093 191 HD13 LEU 26 HD13 LEU 26 2.232 -18.357 0.478 192 HD21 LEU 26 HD21 LEU 26 -0.298 -20.873 0.197 193 HD22 LEU 26 HD22 LEU 26 -1.244 -20.179 -1.119 194 HD23 LEU 26 HD23 LEU 26 -1.312 -19.462 0.490 195 H ALA 27 H ALA 27 0.613 -17.305 -4.368 196 HA ALA 27 HA ALA 27 2.063 -19.645 -4.952 197 HB1 ALA 27 HB1 ALA 27 0.180 -18.490 -6.295 198 HB2 ALA 27 HB2 ALA 27 1.476 -19.280 -7.194 199 HB3 ALA 27 HB3 ALA 27 1.475 -17.526 -7.004 200 H ASP 28 H ASP 28 2.967 -16.233 -5.071 201 HA ASP 28 HA ASP 28 5.516 -16.810 -6.341 202 HB2 ASP 28 HB2 ASP 28 4.311 -14.698 -6.792 203 HB3 ASP 28 HB3 ASP 28 4.499 -14.245 -5.099 204 H GLU 29 H GLU 29 6.874 -17.957 -5.095 205 HA GLU 29 HA GLU 29 7.080 -17.661 -2.258 206 HB2 GLU 29 HB2 GLU 29 7.615 -19.762 -3.490 207 HB3 GLU 29 HB3 GLU 29 9.035 -18.962 -4.166 208 HG2 GLU 29 HG2 GLU 29 9.750 -20.214 -2.227 209 HG3 GLU 29 HG3 GLU 29 9.804 -18.502 -1.812 210 H ARG 30 H ARG 30 8.679 -16.207 -5.001 211 HA ARG 30 HA ARG 30 11.062 -15.338 -3.887 212 HB2 ARG 30 HB2 ARG 30 9.279 -13.938 -5.886 213 HB3 ARG 30 HB3 ARG 30 10.944 -13.475 -5.538 214 HG2 ARG 30 HG2 ARG 30 11.665 -15.792 -6.151 215 HG3 ARG 30 HG3 ARG 30 10.004 -16.143 -6.627 216 HD2 ARG 30 HD2 ARG 30 11.791 -14.003 -7.814 217 HD3 ARG 30 HD3 ARG 30 11.304 -15.504 -8.595 218 HE ARG 30 HE ARG 30 9.709 -13.110 -8.319 219 HH11 ARG 30 HH11 ARG 30 9.726 -16.549 -8.698 220 HH12 ARG 30 HH12 ARG 30 8.160 -16.614 -9.436 221 HH21 ARG 30 HH21 ARG 30 7.655 -13.186 -9.285 222 HH22 ARG 30 HH22 ARG 30 6.988 -14.711 -9.768 223 H VAL 31 H VAL 31 7.858 -13.791 -3.679 224 HA VAL 31 HA VAL 31 8.904 -11.556 -2.177 225 HB VAL 31 HB VAL 31 6.526 -10.918 -1.926 226 HG11 VAL 31 HG11 VAL 31 7.683 -11.657 -4.601 227 HG12 VAL 31 HG12 VAL 31 7.444 -10.058 -3.898 228 HG13 VAL 31 HG13 VAL 31 6.062 -10.966 -4.511 229 HG21 VAL 31 HG21 VAL 31 5.716 -13.321 -1.804 230 HG22 VAL 31 HG22 VAL 31 5.951 -13.409 -3.549 231 HG23 VAL 31 HG23 VAL 31 4.779 -12.279 -2.875 232 H ASN 32 H ASN 32 7.436 -14.645 -1.464 233 HA ASN 32 HA ASN 32 6.629 -14.239 1.181 234 HB2 ASN 32 HB2 ASN 32 7.744 -16.719 -0.142 235 HB3 ASN 32 HB3 ASN 32 6.965 -16.698 1.438 236 HD21 ASN 32 HD21 ASN 32 5.874 -18.195 -0.757 237 HD22 ASN 32 HD22 ASN 32 4.398 -17.482 -1.197 238 H ARG 33 H ARG 33 9.822 -14.778 -0.169 239 HA ARG 33 HA ARG 33 11.243 -15.564 2.080 240 HB2 ARG 33 HB2 ARG 33 12.103 -13.736 -0.171 241 HB3 ARG 33 HB3 ARG 33 13.202 -14.478 0.992 242 HG2 ARG 33 HG2 ARG 33 12.414 -16.720 0.295 243 HG3 ARG 33 HG3 ARG 33 11.349 -15.966 -0.892 244 HD2 ARG 33 HD2 ARG 33 13.357 -16.634 -2.047 245 HD3 ARG 33 HD3 ARG 33 13.383 -14.878 -1.908 246 HE ARG 33 HE ARG 33 15.235 -15.066 -0.517 247 HH11 ARG 33 HH11 ARG 33 13.620 -18.105 -0.871 248 HH12 ARG 33 HH12 ARG 33 14.852 -19.011 -0.059 249 HH21 ARG 33 HH21 ARG 33 16.856 -16.247 0.549 250 HH22 ARG 33 HH22 ARG 33 16.684 -17.960 0.745 251 H PHE 34 H PHE 34 10.287 -12.300 1.081 252 HA PHE 34 HA PHE 34 11.706 -10.943 3.145 253 HB2 PHE 34 HB2 PHE 34 9.363 -10.117 1.425 254 HB3 PHE 34 HB3 PHE 34 10.176 -9.034 2.555 255 HD1 PHE 34 HD1 PHE 34 12.550 -8.407 2.216 256 HD2 PHE 34 HD2 PHE 34 10.414 -10.798 -0.640 257 HE1 PHE 34 HE1 PHE 34 14.312 -7.959 0.528 258 HE2 PHE 34 HE2 PHE 34 12.174 -10.351 -2.330 259 HZ PHE 34 HZ PHE 34 14.122 -8.933 -1.746 260 H PHE 35 H PHE 35 8.513 -12.386 2.935 261 HA PHE 35 HA PHE 35 7.650 -11.209 5.448 262 HB2 PHE 35 HB2 PHE 35 6.347 -13.229 3.615 263 HB3 PHE 35 HB3 PHE 35 5.598 -12.570 5.071 264 HD1 PHE 35 HD1 PHE 35 5.240 -10.068 5.249 265 HD2 PHE 35 HD2 PHE 35 6.380 -11.993 1.584 266 HE1 PHE 35 HE1 PHE 35 4.511 -8.070 3.972 267 HE2 PHE 35 HE2 PHE 35 5.653 -9.996 0.307 268 HZ PHE 35 HZ PHE 35 4.717 -8.034 1.502 269 H VAL 36 H VAL 36 9.864 -13.448 4.938 270 HA VAL 36 HA VAL 36 9.076 -15.753 6.322 271 HB VAL 36 HB VAL 36 11.777 -14.418 6.074 272 HG11 VAL 36 HG11 VAL 36 12.491 -16.869 6.698 273 HG12 VAL 36 HG12 VAL 36 10.908 -16.934 7.471 274 HG13 VAL 36 HG13 VAL 36 12.090 -15.731 7.984 275 HG21 VAL 36 HG21 VAL 36 10.305 -15.608 4.156 276 HG22 VAL 36 HG22 VAL 36 11.070 -17.038 4.846 277 HG23 VAL 36 HG23 VAL 36 12.065 -15.730 4.207 278 H ASN 37 H ASN 37 10.303 -12.656 7.501 279 HA ASN 37 HA ASN 37 10.292 -13.562 10.266 280 HB2 ASN 37 HB2 ASN 37 10.793 -10.830 9.058 281 HB3 ASN 37 HB3 ASN 37 10.994 -11.240 10.762 282 HD21 ASN 37 HD21 ASN 37 13.206 -10.327 9.188 283 HD22 ASN 37 HD22 ASN 37 14.301 -11.612 9.013 284 H THR 38 H THR 38 7.886 -12.920 8.239 285 HA THR 38 HA THR 38 6.246 -11.561 10.294 286 HB THR 38 HB THR 38 5.849 -11.489 7.295 287 HG1 THR 38 HG1 THR 38 7.605 -10.252 7.793 288 HG21 THR 38 HG21 THR 38 4.370 -9.484 8.166 289 HG22 THR 38 HG22 THR 38 4.372 -10.412 9.667 290 HG23 THR 38 HG23 THR 38 3.735 -11.129 8.187 291 H ASP 39 H ASP 39 4.277 -12.458 10.807 292 HA ASP 39 HA ASP 39 3.914 -15.237 10.150 293 HB2 ASP 39 HB2 ASP 39 2.009 -15.139 11.657 294 HB3 ASP 39 HB3 ASP 39 3.382 -14.312 12.389 295 H MET 40 H MET 40 1.835 -16.096 9.362 296 HA MET 40 HA MET 40 1.164 -15.048 6.839 297 HB2 MET 40 HB2 MET 40 -0.276 -17.042 8.596 298 HB3 MET 40 HB3 MET 40 -0.719 -16.698 6.923 299 HG2 MET 40 HG2 MET 40 1.609 -17.303 6.233 300 HG3 MET 40 HG3 MET 40 1.943 -17.771 7.901 301 HE1 MET 40 HE1 MET 40 1.735 -21.202 6.168 302 HE2 MET 40 HE2 MET 40 2.648 -20.137 7.233 303 HE3 MET 40 HE3 MET 40 2.414 -19.692 5.544 304 H ALA 41 H ALA 41 -0.354 -14.661 10.006 305 HA ALA 41 HA ALA 41 -2.781 -13.522 9.136 306 HB1 ALA 41 HB1 ALA 41 -2.427 -12.334 11.535 307 HB2 ALA 41 HB2 ALA 41 -1.268 -13.656 11.675 308 HB3 ALA 41 HB3 ALA 41 -2.967 -14.002 11.350 309 H LYS 42 H LYS 42 0.103 -11.848 10.435 310 HA LYS 42 HA LYS 42 -0.778 -9.247 9.832 311 HB2 LYS 42 HB2 LYS 42 1.112 -9.779 11.364 312 HB3 LYS 42 HB3 LYS 42 2.085 -10.220 9.960 313 HG2 LYS 42 HG2 LYS 42 1.756 -7.941 9.036 314 HG3 LYS 42 HG3 LYS 42 0.843 -7.502 10.478 315 HD2 LYS 42 HD2 LYS 42 2.858 -8.104 11.857 316 HD3 LYS 42 HD3 LYS 42 3.754 -8.333 10.356 317 HE2 LYS 42 HE2 LYS 42 3.172 -5.977 9.719 318 HE3 LYS 42 HE3 LYS 42 2.453 -5.771 11.315 319 HZ1 LYS 42 HZ1 LYS 42 4.692 -4.977 11.368 320 HZ2 LYS 42 HZ2 LYS 42 5.283 -6.427 10.707 321 HZ3 LYS 42 HZ3 LYS 42 4.621 -6.411 12.272 322 H GLN 43 H GLN 43 0.919 -11.650 7.919 323 HA GLN 43 HA GLN 43 1.858 -10.105 5.811 324 HB2 GLN 43 HB2 GLN 43 2.274 -12.551 6.179 325 HB3 GLN 43 HB3 GLN 43 0.649 -12.866 5.573 326 HG2 GLN 43 HG2 GLN 43 1.251 -11.695 3.456 327 HG3 GLN 43 HG3 GLN 43 2.896 -11.507 4.062 328 HE21 GLN 43 HE21 GLN 43 2.088 -14.371 5.379 329 HE22 GLN 43 HE22 GLN 43 2.547 -15.429 4.134 330 H LYS 44 H LYS 44 -1.378 -11.487 6.304 331 HA LYS 44 HA LYS 44 -2.463 -10.774 3.803 332 HB2 LYS 44 HB2 LYS 44 -3.803 -11.107 6.497 333 HB3 LYS 44 HB3 LYS 44 -4.667 -10.941 4.969 334 HG2 LYS 44 HG2 LYS 44 -3.450 -12.942 4.106 335 HG3 LYS 44 HG3 LYS 44 -2.704 -13.136 5.692 336 HD2 LYS 44 HD2 LYS 44 -4.986 -13.308 6.698 337 HD3 LYS 44 HD3 LYS 44 -5.672 -13.242 5.073 338 HE2 LYS 44 HE2 LYS 44 -4.464 -15.278 4.447 339 HE3 LYS 44 HE3 LYS 44 -3.691 -15.329 6.031 340 HZ1 LYS 44 HZ1 LYS 44 -5.498 -16.212 6.955 341 HZ2 LYS 44 HZ2 LYS 44 -6.027 -16.538 5.373 342 HZ3 LYS 44 HZ3 LYS 44 -6.550 -15.134 6.174 343 H GLN 45 H GLN 45 -2.115 -8.986 6.819 344 HA GLN 45 HA GLN 45 -3.764 -6.794 6.200 345 HB2 GLN 45 HB2 GLN 45 -2.801 -7.311 8.452 346 HB3 GLN 45 HB3 GLN 45 -1.241 -6.733 7.865 347 HG2 GLN 45 HG2 GLN 45 -2.224 -4.537 7.369 348 HG3 GLN 45 HG3 GLN 45 -3.799 -5.108 7.916 349 HE21 GLN 45 HE21 GLN 45 -2.852 -2.919 9.266 350 HE22 GLN 45 HE22 GLN 45 -2.282 -3.352 10.805 351 H HIS 46 H HIS 46 -0.330 -7.391 5.509 352 HA HIS 46 HA HIS 46 0.291 -4.838 4.502 353 HB2 HIS 46 HB2 HIS 46 1.997 -6.537 5.048 354 HB3 HIS 46 HB3 HIS 46 1.461 -7.504 3.673 355 HD1 HIS 46 HD1 HIS 46 2.506 -6.970 1.460 356 HD2 HIS 46 HD2 HIS 46 2.970 -3.847 4.179 357 HE1 HIS 46 HE1 HIS 46 3.973 -5.245 0.325 358 H GLN 47 H GLN 47 -0.855 -7.765 2.836 359 HA GLN 47 HA GLN 47 -0.838 -6.710 0.224 360 HB2 GLN 47 HB2 GLN 47 -2.474 -8.894 1.514 361 HB3 GLN 47 HB3 GLN 47 -2.589 -8.503 -0.199 362 HG2 GLN 47 HG2 GLN 47 -0.906 -10.365 0.647 363 HG3 GLN 47 HG3 GLN 47 -0.457 -9.282 -0.664 364 HE21 GLN 47 HE21 GLN 47 0.611 -10.502 2.298 365 HE22 GLN 47 HE22 GLN 47 1.769 -9.313 2.656 366 H LYS 48 H LYS 48 -3.285 -6.594 2.781 367 HA LYS 48 HA LYS 48 -5.405 -5.574 1.236 368 HB2 LYS 48 HB2 LYS 48 -5.619 -6.423 3.574 369 HB3 LYS 48 HB3 LYS 48 -4.804 -4.963 4.139 370 HG2 LYS 48 HG2 LYS 48 -6.573 -3.567 3.177 371 HG3 LYS 48 HG3 LYS 48 -7.366 -4.996 2.515 372 HD2 LYS 48 HD2 LYS 48 -8.529 -4.474 4.540 373 HD3 LYS 48 HD3 LYS 48 -7.520 -5.875 4.898 374 HE2 LYS 48 HE2 LYS 48 -6.000 -3.472 5.369 375 HE3 LYS 48 HE3 LYS 48 -7.532 -3.372 6.232 376 HZ1 LYS 48 HZ1 LYS 48 -7.056 -5.198 7.490 377 HZ2 LYS 48 HZ2 LYS 48 -5.489 -4.574 7.283 378 HZ3 LYS 48 HZ3 LYS 48 -6.020 -5.881 6.334 379 H ASP 49 H ASP 49 -2.868 -3.908 3.089 380 HA ASP 49 HA ASP 49 -3.727 -1.275 2.455 381 HB2 ASP 49 HB2 ASP 49 -1.017 -2.337 3.286 382 HB3 ASP 49 HB3 ASP 49 -1.428 -0.625 3.179 383 H PHE 50 H PHE 50 -1.473 -3.529 0.949 384 HA PHE 50 HA PHE 50 -0.311 -1.794 -0.928 385 HB2 PHE 50 HB2 PHE 50 0.512 -4.077 -0.400 386 HB3 PHE 50 HB3 PHE 50 -0.885 -4.750 -1.240 387 HD1 PHE 50 HD1 PHE 50 2.268 -2.865 -1.639 388 HD2 PHE 50 HD2 PHE 50 -1.061 -4.680 -3.657 389 HE1 PHE 50 HE1 PHE 50 3.468 -2.666 -3.801 390 HE2 PHE 50 HE2 PHE 50 0.138 -4.479 -5.818 391 HZ PHE 50 HZ PHE 50 2.404 -3.473 -5.890 392 H MET 51 H MET 51 -3.164 -3.911 -1.216 393 HA MET 51 HA MET 51 -3.758 -3.243 -3.900 394 HB2 MET 51 HB2 MET 51 -4.664 -5.228 -2.701 395 HB3 MET 51 HB3 MET 51 -5.685 -4.147 -1.751 396 HG2 MET 51 HG2 MET 51 -6.686 -3.291 -3.871 397 HG3 MET 51 HG3 MET 51 -5.732 -4.473 -4.765 398 HE1 MET 51 HE1 MET 51 -7.801 -4.752 -5.753 399 HE2 MET 51 HE2 MET 51 -9.320 -4.793 -4.862 400 HE3 MET 51 HE3 MET 51 -8.622 -6.293 -5.468 401 H THR 52 H THR 52 -4.854 -1.876 -0.814 402 HA THR 52 HA THR 52 -6.811 -0.138 -1.836 403 HB THR 52 HB THR 52 -5.034 0.310 0.574 404 HG1 THR 52 HG1 THR 52 -5.999 -1.588 0.933 405 HG21 THR 52 HG21 THR 52 -6.218 2.211 0.774 406 HG22 THR 52 HG22 THR 52 -7.665 1.226 0.982 407 HG23 THR 52 HG23 THR 52 -7.208 1.792 -0.624 408 H TYR 53 H TYR 53 -3.338 0.357 -1.289 409 HA TYR 53 HA TYR 53 -3.266 3.082 -2.022 410 HB2 TYR 53 HB2 TYR 53 -1.444 1.883 -0.814 411 HB3 TYR 53 HB3 TYR 53 -1.055 1.039 -2.312 412 HD1 TYR 53 HD1 TYR 53 -1.155 4.350 -0.648 413 HD2 TYR 53 HD2 TYR 53 0.072 2.151 -4.128 414 HE1 TYR 53 HE1 TYR 53 0.217 6.279 -1.385 415 HE2 TYR 53 HE2 TYR 53 1.443 4.081 -4.866 416 HH TYR 53 HH TYR 53 1.088 7.087 -3.835 417 H ALA 54 H ALA 54 -3.033 0.107 -3.903 418 HA ALA 54 HA ALA 54 -2.163 1.193 -6.340 419 HB1 ALA 54 HB1 ALA 54 -2.172 -1.187 -6.055 420 HB2 ALA 54 HB2 ALA 54 -3.307 -0.815 -7.353 421 HB3 ALA 54 HB3 ALA 54 -3.907 -1.201 -5.741 422 H PHE 55 H PHE 55 -5.346 1.079 -4.864 423 HA PHE 55 HA PHE 55 -6.647 2.082 -7.271 424 HB2 PHE 55 HB2 PHE 55 -7.586 1.239 -4.547 425 HB3 PHE 55 HB3 PHE 55 -8.640 2.188 -5.594 426 HD1 PHE 55 HD1 PHE 55 -6.364 -0.797 -5.785 427 HD2 PHE 55 HD2 PHE 55 -10.019 1.049 -7.082 428 HE1 PHE 55 HE1 PHE 55 -6.943 -2.842 -7.062 429 HE2 PHE 55 HE2 PHE 55 -10.597 -0.995 -8.362 430 HZ PHE 55 HZ PHE 55 -9.060 -2.940 -8.352 431 H GLY 56 H GLY 56 -4.624 3.512 -5.303 432 HA2 GLY 56 HA2 GLY 56 -4.213 5.813 -5.122 433 HA3 GLY 56 HA3 GLY 56 -5.877 6.127 -5.606 434 H GLY 57 H GLY 57 -5.241 3.788 -3.132 435 HA2 GLY 57 HA2 GLY 57 -6.933 4.963 -1.231 436 HA3 GLY 57 HA3 GLY 57 -5.729 3.726 -0.885 437 H THR 58 H THR 58 -5.981 7.215 -1.541 438 HA THR 58 HA THR 58 -3.697 7.661 0.278 439 HB THR 58 HB THR 58 -3.363 9.774 -0.859 440 HG1 THR 58 HG1 THR 58 -5.677 9.050 -2.331 441 HG21 THR 58 HG21 THR 58 -2.297 7.933 -1.965 442 HG22 THR 58 HG22 THR 58 -3.035 8.918 -3.227 443 HG23 THR 58 HG23 THR 58 -3.813 7.422 -2.708 444 H ASP 59 H ASP 59 -6.496 7.170 1.076 445 HA ASP 59 HA ASP 59 -7.954 9.435 1.708 446 HB2 ASP 59 HB2 ASP 59 -8.894 8.126 3.566 447 HB3 ASP 59 HB3 ASP 59 -8.757 7.147 2.107 448 H ARG 60 H ARG 60 -5.491 7.845 3.751 449 HA ARG 60 HA ARG 60 -4.278 10.207 4.632 450 HB2 ARG 60 HB2 ARG 60 -5.138 10.346 6.953 451 HB3 ARG 60 HB3 ARG 60 -6.367 10.741 5.759 452 HG2 ARG 60 HG2 ARG 60 -7.116 8.307 5.906 453 HG3 ARG 60 HG3 ARG 60 -6.064 8.163 7.315 454 HD2 ARG 60 HD2 ARG 60 -7.263 10.110 8.339 455 HD3 ARG 60 HD3 ARG 60 -8.385 10.078 6.984 456 HE ARG 60 HE ARG 60 -8.386 7.508 8.026 457 HH11 ARG 60 HH11 ARG 60 -9.037 10.730 9.116 458 HH12 ARG 60 HH12 ARG 60 -10.224 10.244 10.279 459 HH21 ARG 60 HH21 ARG 60 -9.944 6.865 9.552 460 HH22 ARG 60 HH22 ARG 60 -10.737 8.058 10.526 461 H PHE 61 H PHE 61 -3.105 7.968 3.849 462 HA PHE 61 HA PHE 61 -2.609 5.926 5.652 463 HB2 PHE 61 HB2 PHE 61 -1.076 7.165 3.425 464 HB3 PHE 61 HB3 PHE 61 -0.177 6.134 4.538 465 HD1 PHE 61 HD1 PHE 61 -3.748 5.883 3.464 466 HD2 PHE 61 HD2 PHE 61 0.173 4.136 3.341 467 HE1 PHE 61 HE1 PHE 61 -4.683 3.861 2.372 468 HE2 PHE 61 HE2 PHE 61 -0.762 2.114 2.250 469 HZ PHE 61 HZ PHE 61 -3.190 1.977 1.765 470 HA PRO 62 HA PRO 62 -0.543 7.516 9.170 471 HB2 PRO 62 HB2 PRO 62 1.713 5.814 9.206 472 HB3 PRO 62 HB3 PRO 62 0.162 5.536 10.015 473 HG2 PRO 62 HG2 PRO 62 1.190 4.436 7.477 474 HG3 PRO 62 HG3 PRO 62 0.054 3.736 8.641 475 HD2 PRO 62 HD2 PRO 62 -0.752 4.732 6.244 476 HD3 PRO 62 HD3 PRO 62 -1.780 4.793 7.694 477 H GLY 63 H GLY 63 1.089 8.934 9.773 478 HA2 GLY 63 HA2 GLY 63 2.471 10.274 7.662 479 HA3 GLY 63 HA3 GLY 63 2.598 10.633 9.380 480 H ARG 64 H ARG 64 4.811 10.831 9.471 481 HA ARG 64 HA ARG 64 6.971 10.104 9.779 482 HB2 ARG 64 HB2 ARG 64 5.680 8.118 10.833 483 HB3 ARG 64 HB3 ARG 64 6.051 7.272 9.331 484 HG2 ARG 64 HG2 ARG 64 8.461 7.734 9.676 485 HG3 ARG 64 HG3 ARG 64 8.078 8.547 11.194 486 HD2 ARG 64 HD2 ARG 64 8.746 6.270 11.694 487 HD3 ARG 64 HD3 ARG 64 7.019 6.428 12.002 488 HE ARG 64 HE ARG 64 7.180 5.560 9.397 489 HH11 ARG 64 HH11 ARG 64 8.361 4.501 12.473 490 HH12 ARG 64 HH12 ARG 64 8.327 2.819 12.061 491 HH21 ARG 64 HH21 ARG 64 7.133 3.359 8.851 492 HH22 ARG 64 HH22 ARG 64 7.632 2.172 10.009 493 H SER 65 H SER 65 7.502 7.337 8.260 494 HA SER 65 HA SER 65 7.492 8.348 5.516 495 HB2 SER 65 HB2 SER 65 9.816 8.287 5.190 496 HB3 SER 65 HB3 SER 65 9.637 9.080 6.753 497 HG SER 65 HG SER 65 9.690 6.590 7.353 498 H MET 66 H MET 66 7.184 6.762 4.078 499 HA MET 66 HA MET 66 6.618 4.116 4.912 500 HB2 MET 66 HB2 MET 66 7.140 5.253 2.156 501 HB3 MET 66 HB3 MET 66 6.530 3.627 2.464 502 HG2 MET 66 HG2 MET 66 5.183 6.178 3.402 503 HG3 MET 66 HG3 MET 66 4.702 5.255 1.978 504 HE1 MET 66 HE1 MET 66 2.901 4.904 5.878 505 HE2 MET 66 HE2 MET 66 2.854 6.037 4.529 506 HE3 MET 66 HE3 MET 66 4.296 5.936 5.536 507 H ARG 67 H ARG 67 9.475 5.665 3.601 508 HA ARG 67 HA ARG 67 10.978 3.441 2.848 509 HB2 ARG 67 HB2 ARG 67 11.904 6.049 4.076 510 HB3 ARG 67 HB3 ARG 67 12.952 4.888 3.261 511 HG2 ARG 67 HG2 ARG 67 11.599 5.132 1.199 512 HG3 ARG 67 HG3 ARG 67 10.594 6.331 2.015 513 HD2 ARG 67 HD2 ARG 67 12.669 7.688 2.426 514 HD3 ARG 67 HD3 ARG 67 13.558 6.542 1.428 515 HE ARG 67 HE ARG 67 11.219 7.696 0.152 516 HH11 ARG 67 HH11 ARG 67 14.606 7.915 0.812 517 HH12 ARG 67 HH12 ARG 67 14.951 8.907 -0.565 518 HH21 ARG 67 HH21 ARG 67 11.664 8.992 -1.662 519 HH22 ARG 67 HH22 ARG 67 13.288 9.513 -1.969 520 H ALA 68 H ALA 68 10.530 4.911 6.037 521 HA ALA 68 HA ALA 68 12.496 3.450 7.423 522 HB1 ALA 68 HB1 ALA 68 10.566 3.838 9.311 523 HB2 ALA 68 HB2 ALA 68 10.132 5.065 8.122 524 HB3 ALA 68 HB3 ALA 68 11.746 5.058 8.832 525 H ALA 69 H ALA 69 9.147 2.694 6.609 526 HA ALA 69 HA ALA 69 8.910 0.368 8.208 527 HB1 ALA 69 HB1 ALA 69 6.942 -0.115 6.923 528 HB2 ALA 69 HB2 ALA 69 7.492 0.907 5.594 529 HB3 ALA 69 HB3 ALA 69 7.016 1.636 7.128 530 H HIS 70 H HIS 70 10.141 0.927 4.953 531 HA HIS 70 HA HIS 70 10.592 -1.951 4.588 532 HB2 HIS 70 HB2 HIS 70 10.974 0.364 2.675 533 HB3 HIS 70 HB3 HIS 70 11.171 -1.344 2.275 534 HD1 HIS 70 HD1 HIS 70 8.586 1.269 2.901 535 HD2 HIS 70 HD2 HIS 70 8.707 -2.845 2.235 536 HE1 HIS 70 HE1 HIS 70 6.204 0.551 2.420 537 H GLN 71 H GLN 71 12.236 0.804 5.681 538 HA GLN 71 HA GLN 71 14.837 0.416 4.712 539 HB2 GLN 71 HB2 GLN 71 14.063 2.408 6.007 540 HB3 GLN 71 HB3 GLN 71 14.077 1.415 7.466 541 HG2 GLN 71 HG2 GLN 71 16.491 0.920 7.051 542 HG3 GLN 71 HG3 GLN 71 16.451 2.033 5.685 543 HE21 GLN 71 HE21 GLN 71 17.220 4.067 6.241 544 HE22 GLN 71 HE22 GLN 71 17.055 4.789 7.767 545 H ASP 72 H ASP 72 13.136 -1.077 7.424 546 HA ASP 72 HA ASP 72 15.291 -2.367 8.656 547 HB2 ASP 72 HB2 ASP 72 12.400 -3.217 8.397 548 HB3 ASP 72 HB3 ASP 72 13.567 -3.985 9.473 549 H LEU 73 H LEU 73 13.286 -3.362 5.910 550 HA LEU 73 HA LEU 73 14.254 -5.991 5.656 551 HB2 LEU 73 HB2 LEU 73 13.332 -4.139 3.446 552 HB3 LEU 73 HB3 LEU 73 13.401 -5.900 3.376 553 HG LEU 73 HG LEU 73 11.662 -4.242 5.227 554 HD11 LEU 73 HD11 LEU 73 10.524 -6.258 3.381 555 HD12 LEU 73 HD12 LEU 73 11.228 -4.839 2.604 556 HD13 LEU 73 HD13 LEU 73 9.936 -4.646 3.790 557 HD21 LEU 73 HD21 LEU 73 12.094 -6.124 6.526 558 HD22 LEU 73 HD22 LEU 73 12.359 -7.159 5.122 559 HD23 LEU 73 HD23 LEU 73 10.720 -6.697 5.580 560 H VAL 74 H VAL 74 15.440 -2.926 4.335 561 HA VAL 74 HA VAL 74 17.427 -3.983 2.643 562 HB VAL 74 HB VAL 74 17.257 -1.334 4.085 563 HG11 VAL 74 HG11 VAL 74 19.516 -1.379 3.574 564 HG12 VAL 74 HG12 VAL 74 18.872 -0.791 2.041 565 HG13 VAL 74 HG13 VAL 74 19.294 -2.494 2.225 566 HG21 VAL 74 HG21 VAL 74 15.760 -2.381 1.995 567 HG22 VAL 74 HG22 VAL 74 17.006 -1.446 1.167 568 HG23 VAL 74 HG23 VAL 74 15.959 -0.666 2.352 569 H GLU 75 H GLU 75 17.505 -3.089 6.069 570 HA GLU 75 HA GLU 75 20.276 -3.369 6.472 571 HB2 GLU 75 HB2 GLU 75 17.972 -3.798 8.387 572 HB3 GLU 75 HB3 GLU 75 19.667 -3.692 8.865 573 HG2 GLU 75 HG2 GLU 75 19.801 -1.434 7.858 574 HG3 GLU 75 HG3 GLU 75 18.094 -1.535 7.426 575 H ASN 76 H ASN 76 17.650 -5.735 6.509 576 HA ASN 76 HA ASN 76 19.527 -7.867 7.232 577 HB2 ASN 76 HB2 ASN 76 16.527 -7.872 6.853 578 HB3 ASN 76 HB3 ASN 76 17.481 -9.282 7.311 579 HD21 ASN 76 HD21 ASN 76 15.439 -8.152 9.025 580 HD22 ASN 76 HD22 ASN 76 16.209 -7.543 10.410 581 H ALA 77 H ALA 77 16.967 -7.461 4.763 582 HA ALA 77 HA ALA 77 18.593 -9.145 2.956 583 HB1 ALA 77 HB1 ALA 77 16.041 -9.585 3.758 584 HB2 ALA 77 HB2 ALA 77 16.690 -10.137 2.213 585 HB3 ALA 77 HB3 ALA 77 15.757 -8.642 2.295 586 H GLY 78 H GLY 78 19.007 -8.485 0.868 587 HA2 GLY 78 HA2 GLY 78 18.928 -5.638 0.382 588 HA3 GLY 78 HA3 GLY 78 19.597 -6.866 -0.691 589 H LEU 79 H LEU 79 17.219 -4.613 -0.444 590 HA LEU 79 HA LEU 79 15.293 -6.142 -2.068 591 HB2 LEU 79 HB2 LEU 79 14.438 -5.043 0.000 592 HB3 LEU 79 HB3 LEU 79 14.906 -3.483 -0.677 593 HG LEU 79 HG LEU 79 13.444 -3.948 -2.650 594 HD11 LEU 79 HD11 LEU 79 11.676 -5.833 -1.988 595 HD12 LEU 79 HD12 LEU 79 13.059 -6.484 -1.111 596 HD13 LEU 79 HD13 LEU 79 13.157 -6.236 -2.855 597 HD21 LEU 79 HD21 LEU 79 12.696 -2.738 -0.512 598 HD22 LEU 79 HD22 LEU 79 11.883 -4.241 -0.075 599 HD23 LEU 79 HD23 LEU 79 11.412 -3.377 -1.537 600 H THR 80 H THR 80 15.011 -5.674 -4.160 601 HA THR 80 HA THR 80 16.170 -3.157 -5.186 602 HB THR 80 HB THR 80 16.950 -4.305 -7.152 603 HG1 THR 80 HG1 THR 80 15.830 -6.641 -6.010 604 HG21 THR 80 HG21 THR 80 18.449 -6.073 -6.064 605 HG22 THR 80 HG22 THR 80 17.625 -5.692 -4.552 606 HG23 THR 80 HG23 THR 80 18.547 -4.445 -5.391 607 H ASP 81 H ASP 81 15.255 -2.512 -7.310 608 HA ASP 81 HA ASP 81 12.486 -2.195 -7.181 609 HB2 ASP 81 HB2 ASP 81 14.403 -1.912 -9.494 610 HB3 ASP 81 HB3 ASP 81 12.707 -1.439 -9.577 611 H VAL 82 H VAL 82 14.384 -4.662 -8.872 612 HA VAL 82 HA VAL 82 12.482 -5.666 -10.610 613 HB VAL 82 HB VAL 82 14.925 -6.427 -10.215 614 HG11 VAL 82 HG11 VAL 82 14.254 -7.116 -7.793 615 HG12 VAL 82 HG12 VAL 82 15.310 -8.189 -8.709 616 HG13 VAL 82 HG13 VAL 82 13.593 -8.560 -8.558 617 HG21 VAL 82 HG21 VAL 82 12.687 -8.397 -10.782 618 HG22 VAL 82 HG22 VAL 82 14.384 -8.669 -11.178 619 HG23 VAL 82 HG23 VAL 82 13.494 -7.364 -11.962 620 H HIS 83 H HIS 83 12.796 -6.247 -7.132 621 HA HIS 83 HA HIS 83 10.913 -8.308 -6.871 622 HB2 HIS 83 HB2 HIS 83 11.642 -6.084 -4.952 623 HB3 HIS 83 HB3 HIS 83 10.663 -7.486 -4.523 624 HD2 HIS 83 HD2 HIS 83 12.119 -10.020 -4.714 625 HE1 HIS 83 HE1 HIS 83 15.915 -8.175 -4.639 626 HE2 HIS 83 HE2 HIS 83 14.688 -10.390 -4.441 627 H PHE 84 H PHE 84 10.511 -4.795 -6.916 628 HA PHE 84 HA PHE 84 7.781 -4.662 -6.282 629 HB2 PHE 84 HB2 PHE 84 9.325 -2.713 -6.394 630 HB3 PHE 84 HB3 PHE 84 9.333 -2.856 -8.151 631 HD1 PHE 84 HD1 PHE 84 7.227 -2.127 -5.192 632 HD2 PHE 84 HD2 PHE 84 7.457 -2.145 -9.480 633 HE1 PHE 84 HE1 PHE 84 5.138 -0.798 -5.308 634 HE2 PHE 84 HE2 PHE 84 5.367 -0.817 -9.598 635 HZ PHE 84 HZ PHE 84 4.207 -0.143 -7.513 636 H ASP 85 H ASP 85 9.423 -5.013 -9.404 637 HA ASP 85 HA ASP 85 7.167 -4.878 -11.065 638 HB2 ASP 85 HB2 ASP 85 9.550 -4.801 -11.820 639 HB3 ASP 85 HB3 ASP 85 9.655 -6.535 -11.523 640 H ALA 86 H ALA 86 8.577 -7.587 -9.287 641 HA ALA 86 HA ALA 86 7.056 -9.636 -10.514 642 HB1 ALA 86 HB1 ALA 86 9.129 -9.909 -9.072 643 HB2 ALA 86 HB2 ALA 86 7.818 -11.045 -8.756 644 HB3 ALA 86 HB3 ALA 86 8.078 -9.676 -7.675 645 H ILE 87 H ILE 87 6.604 -8.138 -7.287 646 HA ILE 87 HA ILE 87 4.101 -9.353 -6.817 647 HB ILE 87 HB ILE 87 5.619 -8.268 -5.101 648 HG12 ILE 87 HG12 ILE 87 2.768 -7.255 -5.005 649 HG13 ILE 87 HG13 ILE 87 3.176 -8.956 -4.772 650 HG21 ILE 87 HG21 ILE 87 4.220 -5.742 -6.028 651 HG22 ILE 87 HG22 ILE 87 5.898 -6.138 -6.407 652 HG23 ILE 87 HG23 ILE 87 5.408 -5.885 -4.732 653 HD11 ILE 87 HD11 ILE 87 4.182 -8.580 -2.737 654 HD12 ILE 87 HD12 ILE 87 3.043 -7.233 -2.718 655 HD13 ILE 87 HD13 ILE 87 4.722 -6.963 -3.185 656 H ALA 88 H ALA 88 5.010 -6.388 -8.462 657 HA ALA 88 HA ALA 88 2.423 -5.222 -8.578 658 HB1 ALA 88 HB1 ALA 88 4.839 -4.906 -10.374 659 HB2 ALA 88 HB2 ALA 88 4.375 -3.867 -9.026 660 HB3 ALA 88 HB3 ALA 88 3.385 -3.912 -10.484 661 H GLU 89 H GLU 89 4.195 -7.418 -10.715 662 HA GLU 89 HA GLU 89 2.341 -7.456 -12.839 663 HB2 GLU 89 HB2 GLU 89 4.665 -8.348 -12.960 664 HB3 GLU 89 HB3 GLU 89 4.165 -9.697 -11.940 665 HG2 GLU 89 HG2 GLU 89 2.423 -10.281 -13.628 666 HG3 GLU 89 HG3 GLU 89 3.037 -8.992 -14.664 667 H ASN 90 H ASN 90 2.538 -9.280 -9.827 668 HA ASN 90 HA ASN 90 0.644 -11.266 -10.362 669 HB2 ASN 90 HB2 ASN 90 1.283 -9.860 -7.759 670 HB3 ASN 90 HB3 ASN 90 0.322 -11.332 -7.891 671 HD21 ASN 90 HD21 ASN 90 2.786 -11.307 -6.436 672 HD22 ASN 90 HD22 ASN 90 3.909 -12.267 -7.273 673 H LEU 91 H LEU 91 0.230 -7.929 -9.259 674 HA LEU 91 HA LEU 91 -2.530 -8.053 -8.694 675 HB2 LEU 91 HB2 LEU 91 -1.022 -6.167 -8.052 676 HB3 LEU 91 HB3 LEU 91 -0.979 -5.676 -9.745 677 HG LEU 91 HG LEU 91 -3.491 -5.517 -9.692 678 HD11 LEU 91 HD11 LEU 91 -4.016 -5.149 -6.995 679 HD12 LEU 91 HD12 LEU 91 -2.990 -6.582 -7.006 680 HD13 LEU 91 HD13 LEU 91 -4.482 -6.559 -7.944 681 HD21 LEU 91 HD21 LEU 91 -3.518 -3.367 -8.566 682 HD22 LEU 91 HD22 LEU 91 -1.954 -3.553 -9.360 683 HD23 LEU 91 HD23 LEU 91 -2.094 -3.800 -7.619 684 H VAL 92 H VAL 92 -0.758 -7.425 -11.688 685 HA VAL 92 HA VAL 92 -2.994 -6.712 -13.272 686 HB VAL 92 HB VAL 92 -0.332 -7.937 -14.028 687 HG11 VAL 92 HG11 VAL 92 -1.334 -6.519 -16.201 688 HG12 VAL 92 HG12 VAL 92 -2.742 -7.389 -15.593 689 HG13 VAL 92 HG13 VAL 92 -1.287 -8.276 -16.050 690 HG21 VAL 92 HG21 VAL 92 -1.361 -5.091 -14.250 691 HG22 VAL 92 HG22 VAL 92 0.276 -5.653 -14.590 692 HG23 VAL 92 HG23 VAL 92 -0.335 -5.669 -12.936 693 H LEU 93 H LEU 93 -1.410 -9.824 -12.637 694 HA LEU 93 HA LEU 93 -2.976 -11.367 -14.420 695 HB2 LEU 93 HB2 LEU 93 -1.615 -12.234 -11.857 696 HB3 LEU 93 HB3 LEU 93 -2.160 -13.298 -13.154 697 HG LEU 93 HG LEU 93 -0.055 -11.127 -13.403 698 HD11 LEU 93 HD11 LEU 93 1.349 -13.219 -13.966 699 HD12 LEU 93 HD12 LEU 93 0.039 -14.141 -13.227 700 HD13 LEU 93 HD13 LEU 93 0.937 -12.960 -12.271 701 HD21 LEU 93 HD21 LEU 93 0.206 -12.519 -15.659 702 HD22 LEU 93 HD22 LEU 93 -0.946 -11.189 -15.543 703 HD23 LEU 93 HD23 LEU 93 -1.502 -12.855 -15.375 704 H THR 94 H THR 94 -3.444 -10.389 -11.063 705 HA THR 94 HA THR 94 -5.563 -12.095 -10.392 706 HB THR 94 HB THR 94 -5.168 -9.236 -9.479 707 HG1 THR 94 HG1 THR 94 -4.303 -11.465 -8.046 708 HG21 THR 94 HG21 THR 94 -6.361 -9.988 -7.479 709 HG22 THR 94 HG22 THR 94 -6.506 -11.611 -8.153 710 HG23 THR 94 HG23 THR 94 -7.356 -10.263 -8.908 711 H LEU 95 H LEU 95 -5.574 -8.928 -11.992 712 HA LEU 95 HA LEU 95 -8.376 -8.595 -12.091 713 HB2 LEU 95 HB2 LEU 95 -6.294 -7.564 -14.033 714 HB3 LEU 95 HB3 LEU 95 -7.928 -6.935 -13.827 715 HG LEU 95 HG LEU 95 -5.743 -6.954 -11.724 716 HD11 LEU 95 HD11 LEU 95 -7.034 -4.761 -13.366 717 HD12 LEU 95 HD12 LEU 95 -5.333 -5.227 -13.351 718 HD13 LEU 95 HD13 LEU 95 -6.046 -4.450 -11.939 719 HD21 LEU 95 HD21 LEU 95 -7.669 -7.142 -10.437 720 HD22 LEU 95 HD22 LEU 95 -8.680 -6.355 -11.649 721 HD23 LEU 95 HD23 LEU 95 -7.597 -5.393 -10.644 722 H GLN 96 H GLN 96 -6.107 -10.267 -14.207 723 HA GLN 96 HA GLN 96 -7.822 -10.713 -16.393 724 HB2 GLN 96 HB2 GLN 96 -5.537 -12.394 -15.335 725 HB3 GLN 96 HB3 GLN 96 -6.307 -12.623 -16.905 726 HG2 GLN 96 HG2 GLN 96 -5.729 -10.267 -17.490 727 HG3 GLN 96 HG3 GLN 96 -4.864 -10.131 -15.959 728 HE21 GLN 96 HE21 GLN 96 -4.424 -13.288 -16.851 729 HE22 GLN 96 HE22 GLN 96 -2.973 -13.138 -17.719 730 H GLU 97 H GLU 97 -7.397 -12.438 -13.350 731 HA GLU 97 HA GLU 97 -8.912 -14.736 -13.979 732 HB2 GLU 97 HB2 GLU 97 -8.428 -13.372 -11.319 733 HB3 GLU 97 HB3 GLU 97 -9.133 -14.977 -11.509 734 HG2 GLU 97 HG2 GLU 97 -7.092 -15.713 -12.713 735 HG3 GLU 97 HG3 GLU 97 -6.382 -14.121 -12.454 736 H LEU 98 H LEU 98 -9.808 -11.518 -12.911 737 HA LEU 98 HA LEU 98 -12.574 -12.250 -12.428 738 HB2 LEU 98 HB2 LEU 98 -11.303 -9.506 -12.571 739 HB3 LEU 98 HB3 LEU 98 -12.893 -9.894 -11.913 740 HG LEU 98 HG LEU 98 -10.225 -10.864 -10.844 741 HD11 LEU 98 HD11 LEU 98 -10.759 -9.493 -8.908 742 HD12 LEU 98 HD12 LEU 98 -12.327 -9.070 -9.596 743 HD13 LEU 98 HD13 LEU 98 -10.845 -8.484 -10.352 744 HD21 LEU 98 HD21 LEU 98 -11.926 -11.597 -8.945 745 HD22 LEU 98 HD22 LEU 98 -11.634 -12.643 -10.334 746 HD23 LEU 98 HD23 LEU 98 -13.072 -11.625 -10.285 747 H ASN 99 H ASN 99 -10.813 -11.864 -15.169 748 HA ASN 99 HA ASN 99 -11.356 -11.504 -17.372 749 HB2 ASN 99 HB2 ASN 99 -13.295 -13.017 -16.582 750 HB3 ASN 99 HB3 ASN 99 -14.256 -11.538 -16.570 751 HD21 ASN 99 HD21 ASN 99 -15.466 -12.753 -18.380 752 HD22 ASN 99 HD22 ASN 99 -14.860 -12.602 -19.959 753 H VAL 100 H VAL 100 -10.646 -9.246 -16.114 754 HA VAL 100 HA VAL 100 -12.693 -7.218 -16.714 755 HB VAL 100 HB VAL 100 -10.034 -6.912 -15.298 756 HG11 VAL 100 HG11 VAL 100 -10.899 -4.735 -14.637 757 HG12 VAL 100 HG12 VAL 100 -12.434 -5.063 -15.441 758 HG13 VAL 100 HG13 VAL 100 -10.964 -4.861 -16.395 759 HG21 VAL 100 HG21 VAL 100 -11.084 -7.353 -13.312 760 HG22 VAL 100 HG22 VAL 100 -12.173 -8.289 -14.335 761 HG23 VAL 100 HG23 VAL 100 -12.611 -6.651 -13.848 762 H SER 101 H SER 101 -12.409 -5.668 -18.258 763 HA SER 101 HA SER 101 -10.905 -6.190 -20.525 764 HB2 SER 101 HB2 SER 101 -12.804 -4.598 -20.425 765 HB3 SER 101 HB3 SER 101 -11.785 -3.467 -19.539 766 HG SER 101 HG SER 101 -10.744 -3.006 -21.324 767 H GLN 102 H GLN 102 -8.934 -5.590 -21.292 768 HA GLN 102 HA GLN 102 -6.800 -5.245 -19.508 769 HB2 GLN 102 HB2 GLN 102 -6.661 -6.145 -21.852 770 HB3 GLN 102 HB3 GLN 102 -6.813 -4.487 -22.434 771 HG2 GLN 102 HG2 GLN 102 -4.471 -4.904 -22.347 772 HG3 GLN 102 HG3 GLN 102 -4.824 -3.930 -20.921 773 HE21 GLN 102 HE21 GLN 102 -6.141 -6.973 -20.385 774 HE22 GLN 102 HE22 GLN 102 -4.848 -7.669 -19.532 775 H ASP 103 H ASP 103 -8.700 -2.879 -21.315 776 HA ASP 103 HA ASP 103 -7.090 -0.633 -21.049 777 HB2 ASP 103 HB2 ASP 103 -10.103 -0.872 -20.972 778 HB3 ASP 103 HB3 ASP 103 -9.243 0.662 -21.093 779 H LEU 104 H LEU 104 -9.381 -2.024 -18.722 780 HA LEU 104 HA LEU 104 -9.146 0.042 -16.787 781 HB2 LEU 104 HB2 LEU 104 -9.837 -2.878 -16.379 782 HB3 LEU 104 HB3 LEU 104 -10.149 -1.571 -15.239 783 HG LEU 104 HG LEU 104 -11.311 -1.811 -18.031 784 HD11 LEU 104 HD11 LEU 104 -13.324 -1.625 -16.082 785 HD12 LEU 104 HD12 LEU 104 -12.147 -2.755 -15.412 786 HD13 LEU 104 HD13 LEU 104 -12.870 -3.067 -16.991 787 HD21 LEU 104 HD21 LEU 104 -11.273 0.369 -15.977 788 HD22 LEU 104 HD22 LEU 104 -12.745 0.138 -16.918 789 HD23 LEU 104 HD23 LEU 104 -11.223 0.489 -17.735 790 H ILE 105 H ILE 105 -7.361 -2.939 -17.384 791 HA ILE 105 HA ILE 105 -5.849 -3.006 -15.014 792 HB ILE 105 HB ILE 105 -5.114 -3.960 -17.791 793 HG12 ILE 105 HG12 ILE 105 -6.282 -5.447 -15.418 794 HG13 ILE 105 HG13 ILE 105 -7.216 -4.908 -16.814 795 HG21 ILE 105 HG21 ILE 105 -3.129 -3.775 -16.389 796 HG22 ILE 105 HG22 ILE 105 -3.571 -5.476 -16.538 797 HG23 ILE 105 HG23 ILE 105 -3.955 -4.592 -15.062 798 HD11 ILE 105 HD11 ILE 105 -5.561 -7.263 -16.541 799 HD12 ILE 105 HD12 ILE 105 -4.979 -6.260 -17.870 800 HD13 ILE 105 HD13 ILE 105 -6.652 -6.821 -17.855 801 H ASP 106 H ASP 106 -5.311 -1.342 -18.091 802 HA ASP 106 HA ASP 106 -2.692 -0.450 -17.629 803 HB2 ASP 106 HB2 ASP 106 -4.949 0.810 -19.202 804 HB3 ASP 106 HB3 ASP 106 -3.278 1.372 -19.249 805 H GLU 107 H GLU 107 -5.816 0.945 -16.707 806 HA GLU 107 HA GLU 107 -4.835 3.394 -15.699 807 HB2 GLU 107 HB2 GLU 107 -7.235 2.903 -16.172 808 HB3 GLU 107 HB3 GLU 107 -7.264 1.854 -14.753 809 HG2 GLU 107 HG2 GLU 107 -8.099 4.016 -14.078 810 HG3 GLU 107 HG3 GLU 107 -6.491 3.825 -13.383 811 H VAL 108 H VAL 108 -5.249 0.212 -14.230 812 HA VAL 108 HA VAL 108 -4.695 0.967 -11.558 813 HB VAL 108 HB VAL 108 -4.363 -1.670 -13.001 814 HG11 VAL 108 HG11 VAL 108 -3.007 -2.042 -11.167 815 HG12 VAL 108 HG12 VAL 108 -4.575 -2.398 -10.443 816 HG13 VAL 108 HG13 VAL 108 -3.821 -0.824 -10.186 817 HG21 VAL 108 HG21 VAL 108 -6.446 -0.870 -10.964 818 HG22 VAL 108 HG22 VAL 108 -6.493 -2.212 -12.107 819 HG23 VAL 108 HG23 VAL 108 -6.672 -0.555 -12.685 820 H VAL 109 H VAL 109 -2.636 -0.102 -14.227 821 HA VAL 109 HA VAL 109 -0.231 -0.364 -12.791 822 HB VAL 109 HB VAL 109 -0.748 0.342 -15.684 823 HG11 VAL 109 HG11 VAL 109 1.800 -0.207 -14.161 824 HG12 VAL 109 HG12 VAL 109 1.456 1.104 -15.289 825 HG13 VAL 109 HG13 VAL 109 1.677 -0.540 -15.889 826 HG21 VAL 109 HG21 VAL 109 -1.478 -1.916 -14.696 827 HG22 VAL 109 HG22 VAL 109 0.240 -2.254 -14.484 828 HG23 VAL 109 HG23 VAL 109 -0.411 -1.982 -16.100 829 H THR 110 H THR 110 -1.695 2.423 -14.417 830 HA THR 110 HA THR 110 0.445 4.213 -14.166 831 HB THR 110 HB THR 110 -2.508 4.861 -14.086 832 HG1 THR 110 HG1 THR 110 -2.446 4.124 -16.035 833 HG21 THR 110 HG21 THR 110 -0.030 6.463 -14.758 834 HG22 THR 110 HG22 THR 110 -1.198 6.784 -13.476 835 HG23 THR 110 HG23 THR 110 -1.664 6.988 -15.164 836 H ILE 111 H ILE 111 -2.185 3.455 -11.901 837 HA ILE 111 HA ILE 111 -1.679 5.476 -10.025 838 HB ILE 111 HB ILE 111 -2.706 2.672 -9.528 839 HG12 ILE 111 HG12 ILE 111 -4.216 5.264 -9.989 840 HG13 ILE 111 HG13 ILE 111 -3.963 4.038 -11.232 841 HG21 ILE 111 HG21 ILE 111 -3.894 4.278 -7.687 842 HG22 ILE 111 HG22 ILE 111 -2.334 5.086 -7.841 843 HG23 ILE 111 HG23 ILE 111 -2.405 3.387 -7.374 844 HD11 ILE 111 HD11 ILE 111 -5.072 2.366 -9.732 845 HD12 ILE 111 HD12 ILE 111 -6.144 3.678 -10.222 846 HD13 ILE 111 HD13 ILE 111 -5.435 3.675 -8.607 847 H VAL 112 H VAL 112 -0.437 2.134 -10.136 848 HA VAL 112 HA VAL 112 1.329 2.602 -7.891 849 HB VAL 112 HB VAL 112 2.048 0.314 -8.224 850 HG11 VAL 112 HG11 VAL 112 -0.059 0.479 -7.095 851 HG12 VAL 112 HG12 VAL 112 -0.237 -0.812 -8.283 852 HG13 VAL 112 HG13 VAL 112 -0.919 0.782 -8.605 853 HG21 VAL 112 HG21 VAL 112 1.138 -0.979 -10.175 854 HG22 VAL 112 HG22 VAL 112 2.260 0.296 -10.648 855 HG23 VAL 112 HG23 VAL 112 0.524 0.536 -10.837 856 H GLY 113 H GLY 113 1.450 2.963 -11.303 857 HA2 GLY 113 HA2 GLY 113 4.205 2.597 -11.787 858 HA3 GLY 113 HA3 GLY 113 3.118 3.584 -12.758 859 H SER 114 H SER 114 2.997 4.596 -9.565 860 HA SER 114 HA SER 114 4.097 7.129 -10.082 861 HB2 SER 114 HB2 SER 114 3.748 5.731 -7.421 862 HB3 SER 114 HB3 SER 114 4.011 7.458 -7.645 863 HG SER 114 HG SER 114 1.755 6.654 -7.441 864 H VAL 115 H VAL 115 6.119 7.903 -10.053 865 HA VAL 115 HA VAL 115 8.347 6.131 -9.854 866 HB VAL 115 HB VAL 115 8.187 9.146 -10.015 867 HG11 VAL 115 HG11 VAL 115 10.655 8.607 -10.881 868 HG12 VAL 115 HG12 VAL 115 10.481 7.243 -9.777 869 HG13 VAL 115 HG13 VAL 115 10.324 8.893 -9.172 870 HG21 VAL 115 HG21 VAL 115 7.340 7.938 -11.991 871 HG22 VAL 115 HG22 VAL 115 8.830 6.996 -12.061 872 HG23 VAL 115 HG23 VAL 115 8.869 8.734 -12.361 873 H GLN 116 H GLN 116 6.995 8.629 -7.738 874 HA GLN 116 HA GLN 116 9.028 8.710 -5.824 875 HB2 GLN 116 HB2 GLN 116 7.098 10.290 -5.968 876 HB3 GLN 116 HB3 GLN 116 6.069 9.024 -5.294 877 HG2 GLN 116 HG2 GLN 116 7.485 8.922 -3.287 878 HG3 GLN 116 HG3 GLN 116 8.544 10.160 -3.961 879 HE21 GLN 116 HE21 GLN 116 7.440 10.824 -1.548 880 HE22 GLN 116 HE22 GLN 116 6.179 11.944 -1.739 881 H HIS 117 H HIS 117 6.195 6.559 -6.027 882 HA HIS 117 HA HIS 117 6.607 5.281 -3.541 883 HB2 HIS 117 HB2 HIS 117 4.521 5.152 -4.973 884 HB3 HIS 117 HB3 HIS 117 5.384 3.992 -5.984 885 HD1 HIS 117 HD1 HIS 117 5.672 4.198 -2.221 886 HD2 HIS 117 HD2 HIS 117 4.051 1.671 -5.110 887 HE1 HIS 117 HE1 HIS 117 4.929 2.117 -1.001 888 H ARG 118 H ARG 118 7.675 4.433 -6.827 889 HA ARG 118 HA ARG 118 8.982 2.031 -6.170 890 HB2 ARG 118 HB2 ARG 118 8.483 2.771 -8.487 891 HB3 ARG 118 HB3 ARG 118 9.724 4.014 -8.334 892 HG2 ARG 118 HG2 ARG 118 11.413 2.253 -7.887 893 HG3 ARG 118 HG3 ARG 118 10.167 1.023 -8.107 894 HD2 ARG 118 HD2 ARG 118 9.767 1.895 -10.410 895 HD3 ARG 118 HD3 ARG 118 11.102 3.023 -10.184 896 HE ARG 118 HE ARG 118 12.319 0.695 -9.669 897 HH11 ARG 118 HH11 ARG 118 10.075 1.624 -12.133 898 HH12 ARG 118 HH12 ARG 118 10.707 0.528 -13.317 899 HH21 ARG 118 HH21 ARG 118 13.153 -0.744 -11.215 900 HH22 ARG 118 HH22 ARG 118 12.451 -0.812 -12.797 901 H ASN 119 H ASN 119 10.115 5.386 -6.201 902 HA ASN 119 HA ASN 119 12.832 4.906 -5.679 903 HB2 ASN 119 HB2 ASN 119 11.087 7.250 -4.894 904 HB3 ASN 119 HB3 ASN 119 12.847 7.235 -4.800 905 HD21 ASN 119 HD21 ASN 119 11.467 9.086 -6.499 906 HD22 ASN 119 HD22 ASN 119 11.808 8.680 -8.112 907 H ASP 120 H ASP 120 10.046 5.134 -3.523 908 HA ASP 120 HA ASP 120 11.404 5.293 -1.076 909 HB2 ASP 120 HB2 ASP 120 8.754 4.005 -1.758 910 HB3 ASP 120 HB3 ASP 120 9.337 4.252 -0.115 911 H VAL 121 H VAL 121 10.612 2.513 -3.111 912 HA VAL 121 HA VAL 121 11.288 0.485 -1.277 913 HB VAL 121 HB VAL 121 11.387 0.560 -4.300 914 HG11 VAL 121 HG11 VAL 121 12.330 -1.460 -2.374 915 HG12 VAL 121 HG12 VAL 121 12.674 -1.302 -4.097 916 HG13 VAL 121 HG13 VAL 121 11.187 -2.085 -3.562 917 HG21 VAL 121 HG21 VAL 121 9.180 0.111 -4.162 918 HG22 VAL 121 HG22 VAL 121 9.281 0.420 -2.428 919 HG23 VAL 121 HG23 VAL 121 9.478 -1.220 -3.044 920 H LEU 122 H LEU 122 13.261 2.260 -3.641 921 HA LEU 122 HA LEU 122 15.668 0.823 -2.963 922 HB2 LEU 122 HB2 LEU 122 15.321 3.402 -4.512 923 HB3 LEU 122 HB3 LEU 122 16.782 2.415 -4.451 924 HG LEU 122 HG LEU 122 14.085 1.525 -5.522 925 HD11 LEU 122 HD11 LEU 122 14.794 2.450 -7.449 926 HD12 LEU 122 HD12 LEU 122 16.127 1.295 -7.454 927 HD13 LEU 122 HD13 LEU 122 16.341 2.885 -6.722 928 HD21 LEU 122 HD21 LEU 122 14.990 -0.472 -4.777 929 HD22 LEU 122 HD22 LEU 122 16.649 0.112 -4.905 930 HD23 LEU 122 HD23 LEU 122 15.771 -0.372 -6.355 931 H ASN 123 H ASN 123 13.946 3.425 -1.609 932 HA ASN 123 HA ASN 123 14.360 4.833 0.146 933 HB2 ASN 123 HB2 ASN 123 16.619 2.883 0.636 934 HB3 ASN 123 HB3 ASN 123 16.130 4.147 1.759 935 HD21 ASN 123 HD21 ASN 123 15.987 1.268 2.303 936 HD22 ASN 123 HD22 ASN 123 14.347 0.898 2.541 937 H ARG 124 H ARG 124 15.255 5.857 -2.238 938 HA ARG 124 HA ARG 124 17.992 6.801 -1.806 939 HB2 ARG 124 HB2 ARG 124 16.032 7.288 -4.059 940 HB3 ARG 124 HB3 ARG 124 17.641 8.003 -3.979 941 HG2 ARG 124 HG2 ARG 124 18.356 5.459 -3.598 942 HG3 ARG 124 HG3 ARG 124 16.849 5.165 -4.469 943 HD2 ARG 124 HD2 ARG 124 18.536 5.316 -6.151 944 HD3 ARG 124 HD3 ARG 124 17.679 6.855 -6.197 945 HE ARG 124 HE ARG 124 19.703 7.383 -4.483 946 HH11 ARG 124 HH11 ARG 124 19.555 5.897 -7.608 947 HH12 ARG 124 HH12 ARG 124 21.155 6.381 -8.063 948 HH21 ARG 124 HH21 ARG 124 21.799 8.016 -5.073 949 HH22 ARG 124 HH22 ARG 124 22.425 7.580 -6.629 950 HHA HEB 125 HHA HEB 125 4.483 -2.507 6.750 951 HHB HEB 125 HHB HEB 125 2.147 1.181 2.170 952 HHC HEB 125 HHC HEB 125 5.469 -2.086 -2.133 953 HHD HEB 125 HHD HEB 125 7.697 -5.828 2.422 954 HMA1 HEB 125 HMA1 HEB 125 2.068 2.319 4.859 955 HMA2 HEB 125 HMA2 HEB 125 0.996 1.243 5.755 956 HMA3 HEB 125 HMA3 HEB 125 0.852 1.368 4.006 957 HAA1 HEB 125 HAA1 HEB 125 2.449 0.600 7.343 958 HAA2 HEB 125 HAA2 HEB 125 3.697 -0.590 7.656 959 HBA1 HEB 125 HBA1 HEB 125 1.937 -2.374 7.209 960 HBA2 HEB 125 HBA2 HEB 125 0.745 -1.077 7.250 961 HMB1 HEB 125 HMB1 HEB 125 1.113 1.332 -0.386 962 HMB2 HEB 125 HMB2 HEB 125 2.294 2.045 -1.484 963 HMB3 HEB 125 HMB3 HEB 125 2.341 2.436 0.234 964 HAB2 HEB 125 HAB2 HEB 125 4.305 -0.638 -3.181 965 HBB1 HEB 125 HBB1 HEB 125 1.620 -0.303 -2.470 966 HBB2 HEB 125 HBB2 HEB 125 2.266 -0.582 -4.087 967 HBB3 HEB 125 HBB3 HEB 125 2.001 1.065 -3.516 968 HMC1 HEB 125 HMC1 HEB 125 6.235 -4.116 -3.049 969 HMC2 HEB 125 HMC2 HEB 125 7.647 -5.113 -2.699 970 HMC3 HEB 125 HMC3 HEB 125 7.806 -3.358 -2.783 971 HAC HEB 125 HAC HEB 125 9.171 -5.928 0.254 972 HBC1 HEB 125 HBC1 HEB 125 6.868 -7.087 -1.452 973 HBC2 HEB 125 HBC2 HEB 125 8.509 -7.880 -1.093 974 HMD1 HEB 125 HMD1 HEB 125 8.514 -6.304 4.448 975 HMD2 HEB 125 HMD2 HEB 125 7.121 -7.219 5.017 976 HMD3 HEB 125 HMD3 HEB 125 8.070 -6.256 6.147 977 HAD1 HEB 125 HAD1 HEB 125 6.329 -5.703 7.457 978 HAD2 HEB 125 HAD2 HEB 125 5.052 -4.512 7.618 979 HBD1 HEB 125 HBD1 HEB 125 7.097 -2.816 7.542 980 HBD2 HEB 125 HBD2 HEB 125 7.982 -4.229 8.113 Start of MODEL 12 1 H1 ALA 2 H1 ALA 2 -16.365 9.332 -5.918 2 H2 ALA 2 H2 ALA 2 -17.073 8.881 -7.396 3 H3 ALA 2 H3 ALA 2 -16.061 10.243 -7.316 4 HA ALA 2 HA ALA 2 -15.283 7.772 -8.078 5 HB1 ALA 2 HB1 ALA 2 -12.940 8.838 -7.319 6 HB2 ALA 2 HB2 ALA 2 -13.952 10.272 -7.141 7 HB3 ALA 2 HB3 ALA 2 -13.842 9.456 -8.702 8 H SER 3 H SER 3 -16.119 6.258 -6.493 9 HA SER 3 HA SER 3 -14.373 6.009 -4.116 10 HB2 SER 3 HB2 SER 3 -17.241 5.094 -4.425 11 HB3 SER 3 HB3 SER 3 -16.237 4.871 -2.996 12 HG SER 3 HG SER 3 -15.990 7.319 -3.284 13 H LEU 4 H LEU 4 -13.612 3.952 -3.587 14 HA LEU 4 HA LEU 4 -12.934 2.248 -5.696 15 HB2 LEU 4 HB2 LEU 4 -11.758 2.336 -3.506 16 HB3 LEU 4 HB3 LEU 4 -13.138 1.527 -2.762 17 HG LEU 4 HG LEU 4 -12.831 -0.370 -4.370 18 HD11 LEU 4 HD11 LEU 4 -11.638 0.230 -6.218 19 HD12 LEU 4 HD12 LEU 4 -10.246 -0.194 -5.222 20 HD13 LEU 4 HD13 LEU 4 -10.750 1.489 -5.360 21 HD21 LEU 4 HD21 LEU 4 -10.848 -1.294 -3.241 22 HD22 LEU 4 HD22 LEU 4 -11.863 -0.428 -2.087 23 HD23 LEU 4 HD23 LEU 4 -10.390 0.322 -2.704 24 H TYR 5 H TYR 5 -15.624 2.092 -3.399 25 HA TYR 5 HA TYR 5 -16.583 -0.461 -4.064 26 HB2 TYR 5 HB2 TYR 5 -17.373 0.805 -2.110 27 HB3 TYR 5 HB3 TYR 5 -18.154 1.970 -3.179 28 HD1 TYR 5 HD1 TYR 5 -18.177 -1.551 -2.022 29 HD2 TYR 5 HD2 TYR 5 -20.217 1.463 -4.302 30 HE1 TYR 5 HE1 TYR 5 -20.176 -3.011 -2.167 31 HE2 TYR 5 HE2 TYR 5 -22.216 0.003 -4.445 32 HH TYR 5 HH TYR 5 -22.245 -3.224 -2.921 33 H GLU 6 H GLU 6 -17.308 2.722 -5.453 34 HA GLU 6 HA GLU 6 -19.310 1.874 -7.250 35 HB2 GLU 6 HB2 GLU 6 -18.858 4.246 -6.651 36 HB3 GLU 6 HB3 GLU 6 -17.368 4.171 -7.592 37 HG2 GLU 6 HG2 GLU 6 -18.709 3.540 -9.598 38 HG3 GLU 6 HG3 GLU 6 -20.179 3.742 -8.644 39 H LYS 7 H LYS 7 -15.789 2.034 -7.534 40 HA LYS 7 HA LYS 7 -15.606 1.511 -10.298 41 HB2 LYS 7 HB2 LYS 7 -13.682 0.864 -8.053 42 HB3 LYS 7 HB3 LYS 7 -13.290 0.774 -9.770 43 HG2 LYS 7 HG2 LYS 7 -13.804 3.164 -10.031 44 HG3 LYS 7 HG3 LYS 7 -14.246 3.267 -8.328 45 HD2 LYS 7 HD2 LYS 7 -12.041 4.000 -8.246 46 HD3 LYS 7 HD3 LYS 7 -11.825 2.273 -7.959 47 HE2 LYS 7 HE2 LYS 7 -10.231 2.908 -9.646 48 HE3 LYS 7 HE3 LYS 7 -11.504 2.000 -10.460 49 HZ1 LYS 7 HZ1 LYS 7 -12.546 4.334 -10.765 50 HZ2 LYS 7 HZ2 LYS 7 -11.293 3.835 -11.797 51 HZ3 LYS 7 HZ3 LYS 7 -10.964 4.889 -10.506 52 H LEU 8 H LEU 8 -15.409 -0.722 -7.515 53 HA LEU 8 HA LEU 8 -15.250 -3.058 -9.163 54 HB2 LEU 8 HB2 LEU 8 -15.996 -2.800 -6.240 55 HB3 LEU 8 HB3 LEU 8 -15.545 -4.292 -7.065 56 HG LEU 8 HG LEU 8 -13.782 -1.844 -6.736 57 HD11 LEU 8 HD11 LEU 8 -13.895 -4.548 -5.398 58 HD12 LEU 8 HD12 LEU 8 -13.840 -2.952 -4.646 59 HD13 LEU 8 HD13 LEU 8 -12.405 -3.605 -5.439 60 HD21 LEU 8 HD21 LEU 8 -13.014 -2.761 -8.729 61 HD22 LEU 8 HD22 LEU 8 -13.543 -4.389 -8.302 62 HD23 LEU 8 HD23 LEU 8 -12.088 -3.713 -7.569 63 H GLY 9 H GLY 9 -17.858 -1.416 -7.423 64 HA2 GLY 9 HA2 GLY 9 -20.136 -1.441 -7.833 65 HA3 GLY 9 HA3 GLY 9 -19.837 -2.498 -9.209 66 H GLY 10 H GLY 10 -18.466 -3.511 -6.220 67 HA2 GLY 10 HA2 GLY 10 -20.698 -4.931 -5.159 68 HA3 GLY 10 HA3 GLY 10 -19.710 -5.993 -6.156 69 H ALA 11 H ALA 11 -20.192 -4.918 -3.068 70 HA ALA 11 HA ALA 11 -17.545 -4.667 -2.069 71 HB1 ALA 11 HB1 ALA 11 -18.966 -5.558 0.078 72 HB2 ALA 11 HB2 ALA 11 -20.258 -4.934 -0.945 73 HB3 ALA 11 HB3 ALA 11 -18.931 -3.878 -0.457 74 H ALA 12 H ALA 12 -19.700 -7.415 -2.551 75 HA ALA 12 HA ALA 12 -18.255 -9.328 -1.070 76 HB1 ALA 12 HB1 ALA 12 -20.446 -9.312 -2.974 77 HB2 ALA 12 HB2 ALA 12 -20.126 -10.425 -1.645 78 HB3 ALA 12 HB3 ALA 12 -19.387 -10.699 -3.222 79 H ALA 13 H ALA 13 -17.870 -8.105 -4.345 80 HA ALA 13 HA ALA 13 -16.099 -10.075 -5.312 81 HB1 ALA 13 HB1 ALA 13 -17.114 -7.526 -6.181 82 HB2 ALA 13 HB2 ALA 13 -16.453 -8.844 -7.148 83 HB3 ALA 13 HB3 ALA 13 -15.378 -7.613 -6.484 84 H VAL 14 H VAL 14 -15.612 -7.290 -3.252 85 HA VAL 14 HA VAL 14 -12.833 -6.981 -3.529 86 HB VAL 14 HB VAL 14 -14.622 -6.489 -1.140 87 HG11 VAL 14 HG11 VAL 14 -11.723 -5.851 -1.687 88 HG12 VAL 14 HG12 VAL 14 -12.431 -6.591 -0.251 89 HG13 VAL 14 HG13 VAL 14 -12.684 -4.876 -0.574 90 HG21 VAL 14 HG21 VAL 14 -13.423 -4.401 -2.936 91 HG22 VAL 14 HG22 VAL 14 -14.895 -4.324 -1.968 92 HG23 VAL 14 HG23 VAL 14 -14.871 -5.263 -3.461 93 H ASP 15 H ASP 15 -14.727 -9.035 -1.325 94 HA ASP 15 HA ASP 15 -12.564 -10.045 0.166 95 HB2 ASP 15 HB2 ASP 15 -15.243 -11.277 -0.505 96 HB3 ASP 15 HB3 ASP 15 -14.112 -11.951 0.667 97 H LEU 16 H LEU 16 -14.096 -11.224 -2.813 98 HA LEU 16 HA LEU 16 -12.500 -13.571 -3.031 99 HB2 LEU 16 HB2 LEU 16 -14.214 -12.023 -4.959 100 HB3 LEU 16 HB3 LEU 16 -13.257 -13.400 -5.498 101 HG LEU 16 HG LEU 16 -15.660 -13.917 -4.796 102 HD11 LEU 16 HD11 LEU 16 -14.312 -15.640 -2.960 103 HD12 LEU 16 HD12 LEU 16 -13.214 -15.319 -4.301 104 HD13 LEU 16 HD13 LEU 16 -14.814 -15.991 -4.613 105 HD21 LEU 16 HD21 LEU 16 -15.497 -12.365 -2.775 106 HD22 LEU 16 HD22 LEU 16 -14.529 -13.620 -2.004 107 HD23 LEU 16 HD23 LEU 16 -16.197 -13.952 -2.466 108 H ALA 17 H ALA 17 -12.159 -10.270 -4.248 109 HA ALA 17 HA ALA 17 -10.027 -10.711 -6.026 110 HB1 ALA 17 HB1 ALA 17 -11.485 -8.553 -5.422 111 HB2 ALA 17 HB2 ALA 17 -9.895 -8.426 -6.176 112 HB3 ALA 17 HB3 ALA 17 -10.068 -8.194 -4.436 113 H VAL 18 H VAL 18 -10.045 -9.962 -2.556 114 HA VAL 18 HA VAL 18 -7.209 -9.860 -2.289 115 HB VAL 18 HB VAL 18 -9.409 -10.301 -0.259 116 HG11 VAL 18 HG11 VAL 18 -7.431 -9.474 1.271 117 HG12 VAL 18 HG12 VAL 18 -6.420 -10.140 -0.012 118 HG13 VAL 18 HG13 VAL 18 -7.553 -11.182 0.848 119 HG21 VAL 18 HG21 VAL 18 -9.272 -7.992 0.143 120 HG22 VAL 18 HG22 VAL 18 -9.083 -8.079 -1.608 121 HG23 VAL 18 HG23 VAL 18 -7.667 -7.865 -0.579 122 H GLU 19 H GLU 19 -9.630 -12.409 -1.840 123 HA GLU 19 HA GLU 19 -7.924 -14.357 -0.731 124 HB2 GLU 19 HB2 GLU 19 -10.406 -14.492 -0.749 125 HB3 GLU 19 HB3 GLU 19 -10.348 -14.806 -2.484 126 HG2 GLU 19 HG2 GLU 19 -8.921 -16.800 -2.042 127 HG3 GLU 19 HG3 GLU 19 -9.093 -16.509 -0.313 128 H LYS 20 H LYS 20 -8.839 -13.738 -4.124 129 HA LYS 20 HA LYS 20 -7.364 -15.876 -5.232 130 HB2 LYS 20 HB2 LYS 20 -8.224 -13.232 -6.419 131 HB3 LYS 20 HB3 LYS 20 -7.487 -14.534 -7.353 132 HG2 LYS 20 HG2 LYS 20 -9.307 -16.061 -6.595 133 HG3 LYS 20 HG3 LYS 20 -10.069 -14.700 -5.772 134 HD2 LYS 20 HD2 LYS 20 -10.175 -13.492 -7.958 135 HD3 LYS 20 HD3 LYS 20 -9.538 -14.936 -8.746 136 HE2 LYS 20 HE2 LYS 20 -11.544 -16.105 -7.450 137 HE3 LYS 20 HE3 LYS 20 -12.224 -14.479 -7.514 138 HZ1 LYS 20 HZ1 LYS 20 -11.092 -15.736 -9.929 139 HZ2 LYS 20 HZ2 LYS 20 -12.228 -14.479 -9.813 140 HZ3 LYS 20 HZ3 LYS 20 -12.682 -16.074 -9.447 141 H PHE 21 H PHE 21 -6.506 -12.514 -4.533 142 HA PHE 21 HA PHE 21 -3.953 -12.542 -5.748 143 HB2 PHE 21 HB2 PHE 21 -5.177 -10.485 -5.027 144 HB3 PHE 21 HB3 PHE 21 -4.832 -10.915 -3.352 145 HD1 PHE 21 HD1 PHE 21 -3.360 -9.852 -6.567 146 HD2 PHE 21 HD2 PHE 21 -2.589 -10.739 -2.436 147 HE1 PHE 21 HE1 PHE 21 -1.118 -8.812 -6.763 148 HE2 PHE 21 HE2 PHE 21 -0.346 -9.699 -2.632 149 HZ PHE 21 HZ PHE 21 0.390 -8.736 -4.795 150 H TYR 22 H TYR 22 -4.990 -13.172 -2.405 151 HA TYR 22 HA TYR 22 -2.437 -13.618 -1.313 152 HB2 TYR 22 HB2 TYR 22 -4.482 -13.290 0.042 153 HB3 TYR 22 HB3 TYR 22 -5.064 -14.872 -0.481 154 HD1 TYR 22 HD1 TYR 22 -2.431 -13.109 1.445 155 HD2 TYR 22 HD2 TYR 22 -4.154 -16.908 0.421 156 HE1 TYR 22 HE1 TYR 22 -1.105 -14.193 3.238 157 HE2 TYR 22 HE2 TYR 22 -2.829 -17.992 2.215 158 HH TYR 22 HH TYR 22 -0.584 -17.432 3.433 159 H GLY 23 H GLY 23 -4.744 -15.846 -2.837 160 HA2 GLY 23 HA2 GLY 23 -3.409 -18.251 -2.321 161 HA3 GLY 23 HA3 GLY 23 -4.464 -17.961 -3.700 162 H LYS 24 H LYS 24 -3.101 -16.025 -5.088 163 HA LYS 24 HA LYS 24 -1.166 -17.525 -6.494 164 HB2 LYS 24 HB2 LYS 24 -2.492 -15.638 -7.454 165 HB3 LYS 24 HB3 LYS 24 -1.512 -14.519 -6.503 166 HG2 LYS 24 HG2 LYS 24 0.530 -15.384 -7.612 167 HG3 LYS 24 HG3 LYS 24 -0.471 -16.457 -8.591 168 HD2 LYS 24 HD2 LYS 24 -1.684 -14.448 -9.463 169 HD3 LYS 24 HD3 LYS 24 -0.549 -13.427 -8.580 170 HE2 LYS 24 HE2 LYS 24 0.240 -15.468 -10.679 171 HE3 LYS 24 HE3 LYS 24 0.113 -13.733 -10.962 172 HZ1 LYS 24 HZ1 LYS 24 1.690 -13.627 -8.913 173 HZ2 LYS 24 HZ2 LYS 24 2.320 -13.946 -10.458 174 HZ3 LYS 24 HZ3 LYS 24 2.073 -15.217 -9.359 175 H VAL 25 H VAL 25 -0.892 -15.025 -4.006 176 HA VAL 25 HA VAL 25 1.905 -14.682 -4.115 177 HB VAL 25 HB VAL 25 -0.036 -14.352 -1.815 178 HG11 VAL 25 HG11 VAL 25 1.901 -14.332 -0.601 179 HG12 VAL 25 HG12 VAL 25 2.052 -12.704 -1.264 180 HG13 VAL 25 HG13 VAL 25 2.906 -14.049 -2.022 181 HG21 VAL 25 HG21 VAL 25 1.193 -11.980 -2.987 182 HG22 VAL 25 HG22 VAL 25 -0.515 -12.338 -2.724 183 HG23 VAL 25 HG23 VAL 25 0.293 -12.908 -4.185 184 H LEU 26 H LEU 26 -0.136 -16.939 -2.309 185 HA LEU 26 HA LEU 26 1.842 -18.080 -0.678 186 HB2 LEU 26 HB2 LEU 26 -0.605 -18.459 -0.419 187 HB3 LEU 26 HB3 LEU 26 -0.573 -19.460 -1.870 188 HG LEU 26 HG LEU 26 1.141 -20.918 -0.764 189 HD11 LEU 26 HD11 LEU 26 2.204 -19.870 0.961 190 HD12 LEU 26 HD12 LEU 26 0.848 -20.478 1.913 191 HD13 LEU 26 HD13 LEU 26 0.828 -18.823 1.305 192 HD21 LEU 26 HD21 LEU 26 -0.797 -21.322 1.242 193 HD22 LEU 26 HD22 LEU 26 -0.718 -22.117 -0.331 194 HD23 LEU 26 HD23 LEU 26 -1.673 -20.647 -0.133 195 H ALA 27 H ALA 27 0.899 -18.745 -4.012 196 HA ALA 27 HA ALA 27 2.313 -21.143 -4.383 197 HB1 ALA 27 HB1 ALA 27 1.998 -19.043 -6.522 198 HB2 ALA 27 HB2 ALA 27 0.632 -20.003 -5.955 199 HB3 ALA 27 HB3 ALA 27 2.018 -20.797 -6.701 200 H ASP 28 H ASP 28 3.340 -17.761 -4.712 201 HA ASP 28 HA ASP 28 6.053 -18.614 -5.403 202 HB2 ASP 28 HB2 ASP 28 4.985 -16.691 -6.581 203 HB3 ASP 28 HB3 ASP 28 4.956 -15.816 -5.051 204 H GLU 29 H GLU 29 7.064 -19.407 -3.630 205 HA GLU 29 HA GLU 29 6.745 -18.294 -1.005 206 HB2 GLU 29 HB2 GLU 29 8.757 -20.259 -2.121 207 HB3 GLU 29 HB3 GLU 29 8.614 -19.839 -0.414 208 HG2 GLU 29 HG2 GLU 29 6.238 -20.578 -0.460 209 HG3 GLU 29 HG3 GLU 29 6.446 -21.071 -2.140 210 H ARG 30 H ARG 30 8.773 -17.613 -3.708 211 HA ARG 30 HA ARG 30 11.081 -16.608 -2.561 212 HB2 ARG 30 HB2 ARG 30 9.558 -15.538 -4.947 213 HB3 ARG 30 HB3 ARG 30 11.227 -15.131 -4.548 214 HG2 ARG 30 HG2 ARG 30 11.803 -17.560 -4.660 215 HG3 ARG 30 HG3 ARG 30 10.153 -17.892 -5.191 216 HD2 ARG 30 HD2 ARG 30 12.190 -16.158 -6.615 217 HD3 ARG 30 HD3 ARG 30 11.603 -17.732 -7.143 218 HE ARG 30 HE ARG 30 10.236 -15.200 -7.424 219 HH11 ARG 30 HH11 ARG 30 9.934 -18.639 -7.170 220 HH12 ARG 30 HH12 ARG 30 8.410 -18.703 -7.988 221 HH21 ARG 30 HH21 ARG 30 8.237 -15.278 -8.497 222 HH22 ARG 30 HH22 ARG 30 7.448 -16.800 -8.739 223 H VAL 31 H VAL 31 7.938 -14.996 -2.946 224 HA VAL 31 HA VAL 31 8.907 -12.507 -1.856 225 HB VAL 31 HB VAL 31 6.585 -11.778 -1.981 226 HG11 VAL 31 HG11 VAL 31 7.845 -13.239 -4.263 227 HG12 VAL 31 HG12 VAL 31 7.480 -11.523 -4.094 228 HG13 VAL 31 HG13 VAL 31 6.190 -12.666 -4.465 229 HG21 VAL 31 HG21 VAL 31 5.225 -13.894 -3.176 230 HG22 VAL 31 HG22 VAL 31 5.018 -13.341 -1.514 231 HG23 VAL 31 HG23 VAL 31 6.129 -14.662 -1.872 232 H ASN 32 H ASN 32 7.327 -15.379 -0.643 233 HA ASN 32 HA ASN 32 6.365 -14.423 1.808 234 HB2 ASN 32 HB2 ASN 32 7.436 -17.156 1.074 235 HB3 ASN 32 HB3 ASN 32 6.558 -16.793 2.559 236 HD21 ASN 32 HD21 ASN 32 5.491 -18.658 0.693 237 HD22 ASN 32 HD22 ASN 32 4.103 -17.983 -0.014 238 H ARG 33 H ARG 33 9.606 -15.325 0.807 239 HA ARG 33 HA ARG 33 10.840 -15.685 3.272 240 HB2 ARG 33 HB2 ARG 33 11.939 -14.409 0.759 241 HB3 ARG 33 HB3 ARG 33 12.920 -14.930 2.129 242 HG2 ARG 33 HG2 ARG 33 12.021 -17.237 1.857 243 HG3 ARG 33 HG3 ARG 33 11.135 -16.697 0.430 244 HD2 ARG 33 HD2 ARG 33 13.183 -17.692 -0.346 245 HD3 ARG 33 HD3 ARG 33 13.341 -15.950 -0.548 246 HE ARG 33 HE ARG 33 14.367 -16.651 1.981 247 HH11 ARG 33 HH11 ARG 33 14.991 -17.075 -1.396 248 HH12 ARG 33 HH12 ARG 33 16.708 -17.208 -1.204 249 HH21 ARG 33 HH21 ARG 33 16.617 -16.828 2.242 250 HH22 ARG 33 HH22 ARG 33 17.627 -17.069 0.857 251 H PHE 34 H PHE 34 10.082 -12.683 1.559 252 HA PHE 34 HA PHE 34 11.450 -10.954 3.360 253 HB2 PHE 34 HB2 PHE 34 9.219 -10.471 1.381 254 HB3 PHE 34 HB3 PHE 34 9.986 -9.183 2.312 255 HD1 PHE 34 HD1 PHE 34 12.344 -8.592 1.950 256 HD2 PHE 34 HD2 PHE 34 10.419 -11.640 -0.384 257 HE1 PHE 34 HE1 PHE 34 14.209 -8.520 0.316 258 HE2 PHE 34 HE2 PHE 34 12.282 -11.568 -2.018 259 HZ PHE 34 HZ PHE 34 14.179 -10.007 -1.667 260 H PHE 35 H PHE 35 8.247 -12.376 3.335 261 HA PHE 35 HA PHE 35 7.295 -10.657 5.478 262 HB2 PHE 35 HB2 PHE 35 6.054 -13.016 4.053 263 HB3 PHE 35 HB3 PHE 35 5.256 -12.115 5.343 264 HD1 PHE 35 HD1 PHE 35 4.797 -9.661 5.046 265 HD2 PHE 35 HD2 PHE 35 6.199 -12.142 1.834 266 HE1 PHE 35 HE1 PHE 35 4.078 -7.944 3.409 267 HE2 PHE 35 HE2 PHE 35 5.481 -10.425 0.194 268 HZ PHE 35 HZ PHE 35 4.420 -8.326 0.982 269 H VAL 36 H VAL 36 9.443 -13.086 5.519 270 HA VAL 36 HA VAL 36 8.513 -14.924 7.418 271 HB VAL 36 HB VAL 36 11.292 -13.883 6.853 272 HG11 VAL 36 HG11 VAL 36 10.314 -15.970 8.804 273 HG12 VAL 36 HG12 VAL 36 11.451 -14.654 9.089 274 HG13 VAL 36 HG13 VAL 36 11.936 -16.044 8.118 275 HG21 VAL 36 HG21 VAL 36 10.316 -16.669 6.354 276 HG22 VAL 36 HG22 VAL 36 11.500 -15.720 5.455 277 HG23 VAL 36 HG23 VAL 36 9.777 -15.389 5.267 278 H ASN 37 H ASN 37 10.203 -11.826 7.879 279 HA ASN 37 HA ASN 37 10.320 -11.929 10.699 280 HB2 ASN 37 HB2 ASN 37 10.253 -9.564 8.813 281 HB3 ASN 37 HB3 ASN 37 10.606 -9.452 10.536 282 HD21 ASN 37 HD21 ASN 37 12.563 -8.678 8.616 283 HD22 ASN 37 HD22 ASN 37 13.843 -9.791 8.670 284 H THR 38 H THR 38 7.836 -10.854 8.456 285 HA THR 38 HA THR 38 6.143 -9.866 10.624 286 HB THR 38 HB THR 38 5.555 -10.055 7.660 287 HG1 THR 38 HG1 THR 38 7.033 -8.559 7.619 288 HG21 THR 38 HG21 THR 38 3.929 -8.219 8.281 289 HG22 THR 38 HG22 THR 38 4.271 -8.584 9.972 290 HG23 THR 38 HG23 THR 38 3.533 -9.808 8.938 291 H ASP 39 H ASP 39 4.302 -10.863 11.350 292 HA ASP 39 HA ASP 39 4.082 -13.694 10.893 293 HB2 ASP 39 HB2 ASP 39 2.277 -13.618 12.516 294 HB3 ASP 39 HB3 ASP 39 3.627 -12.647 13.099 295 H MET 40 H MET 40 1.895 -14.669 10.427 296 HA MET 40 HA MET 40 1.059 -13.956 7.838 297 HB2 MET 40 HB2 MET 40 -0.290 -15.670 9.934 298 HB3 MET 40 HB3 MET 40 -0.803 -15.566 8.250 299 HG2 MET 40 HG2 MET 40 1.520 -16.264 7.574 300 HG3 MET 40 HG3 MET 40 1.876 -16.536 9.278 301 HE1 MET 40 HE1 MET 40 -1.678 -17.624 7.239 302 HE2 MET 40 HE2 MET 40 -0.674 -18.758 6.340 303 HE3 MET 40 HE3 MET 40 -0.240 -17.052 6.383 304 H ALA 41 H ALA 41 -0.207 -13.100 11.018 305 HA ALA 41 HA ALA 41 -2.706 -12.093 10.233 306 HB1 ALA 41 HB1 ALA 41 -1.023 -12.009 12.588 307 HB2 ALA 41 HB2 ALA 41 -2.781 -11.934 12.467 308 HB3 ALA 41 HB3 ALA 41 -1.824 -10.458 12.331 309 H LYS 42 H LYS 42 0.275 -10.215 10.882 310 HA LYS 42 HA LYS 42 -0.745 -7.797 9.825 311 HB2 LYS 42 HB2 LYS 42 2.038 -8.798 10.396 312 HB3 LYS 42 HB3 LYS 42 1.775 -7.232 9.634 313 HG2 LYS 42 HG2 LYS 42 1.860 -6.693 11.919 314 HG3 LYS 42 HG3 LYS 42 0.130 -6.803 11.619 315 HD2 LYS 42 HD2 LYS 42 0.151 -9.144 12.438 316 HD3 LYS 42 HD3 LYS 42 1.876 -8.995 12.772 317 HE2 LYS 42 HE2 LYS 42 -0.219 -7.166 13.970 318 HE3 LYS 42 HE3 LYS 42 0.394 -8.607 14.782 319 HZ1 LYS 42 HZ1 LYS 42 2.016 -6.291 13.874 320 HZ2 LYS 42 HZ2 LYS 42 2.633 -7.693 14.608 321 HZ3 LYS 42 HZ3 LYS 42 1.609 -6.656 15.479 322 H GLN 43 H GLN 43 0.894 -10.529 8.364 323 HA GLN 43 HA GLN 43 1.704 -9.410 5.945 324 HB2 GLN 43 HB2 GLN 43 2.209 -11.733 6.733 325 HB3 GLN 43 HB3 GLN 43 0.556 -12.183 6.318 326 HG2 GLN 43 HG2 GLN 43 0.978 -11.424 3.978 327 HG3 GLN 43 HG3 GLN 43 2.656 -11.107 4.415 328 HE21 GLN 43 HE21 GLN 43 1.968 -13.692 6.293 329 HE22 GLN 43 HE22 GLN 43 2.382 -14.955 5.238 330 H LYS 44 H LYS 44 -1.460 -10.778 6.843 331 HA LYS 44 HA LYS 44 -2.669 -10.480 4.306 332 HB2 LYS 44 HB2 LYS 44 -3.884 -10.514 7.077 333 HB3 LYS 44 HB3 LYS 44 -4.819 -10.578 5.582 334 HG2 LYS 44 HG2 LYS 44 -3.537 -12.619 4.919 335 HG3 LYS 44 HG3 LYS 44 -2.733 -12.583 6.487 336 HD2 LYS 44 HD2 LYS 44 -4.966 -12.719 7.594 337 HD3 LYS 44 HD3 LYS 44 -5.711 -12.879 6.003 338 HE2 LYS 44 HE2 LYS 44 -3.488 -14.735 6.810 339 HE3 LYS 44 HE3 LYS 44 -5.136 -15.045 7.356 340 HZ1 LYS 44 HZ1 LYS 44 -4.618 -16.161 5.254 341 HZ2 LYS 44 HZ2 LYS 44 -4.326 -14.654 4.526 342 HZ3 LYS 44 HZ3 LYS 44 -5.883 -15.044 5.083 343 H GLN 45 H GLN 45 -2.380 -8.309 7.077 344 HA GLN 45 HA GLN 45 -4.108 -6.278 6.173 345 HB2 GLN 45 HB2 GLN 45 -3.168 -6.461 8.484 346 HB3 GLN 45 HB3 GLN 45 -1.611 -5.933 7.845 347 HG2 GLN 45 HG2 GLN 45 -2.720 -3.863 6.984 348 HG3 GLN 45 HG3 GLN 45 -4.211 -4.378 7.769 349 HE21 GLN 45 HE21 GLN 45 -4.485 -3.431 9.786 350 HE22 GLN 45 HE22 GLN 45 -3.227 -2.980 10.832 351 H HIS 46 H HIS 46 -0.668 -6.875 5.588 352 HA HIS 46 HA HIS 46 -0.046 -4.463 4.298 353 HB2 HIS 46 HB2 HIS 46 1.626 -6.159 5.018 354 HB3 HIS 46 HB3 HIS 46 1.097 -7.199 3.696 355 HD1 HIS 46 HD1 HIS 46 1.979 -6.682 1.372 356 HD2 HIS 46 HD2 HIS 46 2.863 -3.672 4.115 357 HE1 HIS 46 HE1 HIS 46 3.555 -5.084 0.199 358 H GLN 47 H GLN 47 -1.269 -7.532 2.978 359 HA GLN 47 HA GLN 47 -1.249 -6.769 0.266 360 HB2 GLN 47 HB2 GLN 47 -2.841 -8.795 1.825 361 HB3 GLN 47 HB3 GLN 47 -3.126 -8.536 0.105 362 HG2 GLN 47 HG2 GLN 47 -1.438 -10.372 0.747 363 HG3 GLN 47 HG3 GLN 47 -0.933 -9.211 -0.476 364 HE21 GLN 47 HE21 GLN 47 0.097 -10.706 2.346 365 HE22 GLN 47 HE22 GLN 47 1.267 -9.575 2.829 366 H LYS 48 H LYS 48 -3.663 -6.345 2.818 367 HA LYS 48 HA LYS 48 -5.777 -5.419 1.202 368 HB2 LYS 48 HB2 LYS 48 -5.947 -6.082 3.622 369 HB3 LYS 48 HB3 LYS 48 -5.170 -4.553 4.036 370 HG2 LYS 48 HG2 LYS 48 -7.011 -3.421 2.657 371 HG3 LYS 48 HG3 LYS 48 -7.843 -4.976 2.689 372 HD2 LYS 48 HD2 LYS 48 -6.910 -3.495 5.165 373 HD3 LYS 48 HD3 LYS 48 -8.555 -3.429 4.534 374 HE2 LYS 48 HE2 LYS 48 -8.360 -6.066 4.623 375 HE3 LYS 48 HE3 LYS 48 -7.108 -5.720 5.816 376 HZ1 LYS 48 HZ1 LYS 48 -9.765 -5.830 6.318 377 HZ2 LYS 48 HZ2 LYS 48 -9.491 -4.159 6.178 378 HZ3 LYS 48 HZ3 LYS 48 -8.612 -5.076 7.307 379 H ASP 49 H ASP 49 -3.293 -3.611 3.012 380 HA ASP 49 HA ASP 49 -4.100 -1.051 2.090 381 HB2 ASP 49 HB2 ASP 49 -1.459 -2.036 3.187 382 HB3 ASP 49 HB3 ASP 49 -1.833 -0.341 2.879 383 H PHE 50 H PHE 50 -1.721 -3.401 0.939 384 HA PHE 50 HA PHE 50 -0.507 -1.798 -1.030 385 HB2 PHE 50 HB2 PHE 50 0.373 -3.985 -0.227 386 HB3 PHE 50 HB3 PHE 50 -0.929 -4.793 -1.098 387 HD1 PHE 50 HD1 PHE 50 2.146 -2.770 -1.449 388 HD2 PHE 50 HD2 PHE 50 -0.925 -4.953 -3.514 389 HE1 PHE 50 HE1 PHE 50 3.483 -2.679 -3.535 390 HE2 PHE 50 HE2 PHE 50 0.413 -4.860 -5.600 391 HZ PHE 50 HZ PHE 50 2.617 -3.724 -5.610 392 H MET 51 H MET 51 -3.208 -4.114 -1.285 393 HA MET 51 HA MET 51 -3.683 -3.687 -4.042 394 HB2 MET 51 HB2 MET 51 -4.527 -5.642 -2.757 395 HB3 MET 51 HB3 MET 51 -5.660 -4.573 -1.928 396 HG2 MET 51 HG2 MET 51 -6.613 -3.929 -4.143 397 HG3 MET 51 HG3 MET 51 -5.541 -5.099 -4.913 398 HE1 MET 51 HE1 MET 51 -9.199 -6.087 -5.088 399 HE2 MET 51 HE2 MET 51 -7.905 -7.041 -5.808 400 HE3 MET 51 HE3 MET 51 -7.803 -5.282 -5.819 401 H THR 52 H THR 52 -5.176 -2.284 -1.131 402 HA THR 52 HA THR 52 -7.069 -0.675 -2.464 403 HB THR 52 HB THR 52 -5.713 -0.118 0.184 404 HG1 THR 52 HG1 THR 52 -6.605 -2.087 0.380 405 HG21 THR 52 HG21 THR 52 -8.473 0.605 0.061 406 HG22 THR 52 HG22 THR 52 -7.663 1.298 -1.343 407 HG23 THR 52 HG23 THR 52 -7.079 1.661 0.282 408 H TYR 53 H TYR 53 -3.726 -0.058 -1.480 409 HA TYR 53 HA TYR 53 -3.631 2.682 -2.113 410 HB2 TYR 53 HB2 TYR 53 -1.899 1.452 -0.806 411 HB3 TYR 53 HB3 TYR 53 -1.368 0.682 -2.302 412 HD1 TYR 53 HD1 TYR 53 -1.701 3.922 -0.527 413 HD2 TYR 53 HD2 TYR 53 -0.080 1.881 -3.941 414 HE1 TYR 53 HE1 TYR 53 -0.313 5.908 -1.056 415 HE2 TYR 53 HE2 TYR 53 1.308 3.867 -4.471 416 HH TYR 53 HH TYR 53 2.051 5.847 -3.698 417 H ALA 54 H ALA 54 -3.162 -0.202 -4.094 418 HA ALA 54 HA ALA 54 -2.113 1.016 -6.393 419 HB1 ALA 54 HB1 ALA 54 -2.382 -1.489 -5.850 420 HB2 ALA 54 HB2 ALA 54 -2.627 -0.986 -7.523 421 HB3 ALA 54 HB3 ALA 54 -4.017 -1.316 -6.488 422 H PHE 55 H PHE 55 -5.410 0.782 -5.205 423 HA PHE 55 HA PHE 55 -6.524 1.839 -7.678 424 HB2 PHE 55 HB2 PHE 55 -7.672 0.922 -5.061 425 HB3 PHE 55 HB3 PHE 55 -8.646 1.895 -6.163 426 HD1 PHE 55 HD1 PHE 55 -6.801 -1.297 -5.780 427 HD2 PHE 55 HD2 PHE 55 -9.440 1.013 -8.257 428 HE1 PHE 55 HE1 PHE 55 -7.262 -3.305 -7.159 429 HE2 PHE 55 HE2 PHE 55 -9.902 -0.995 -9.637 430 HZ PHE 55 HZ PHE 55 -8.813 -3.154 -9.088 431 H GLY 56 H GLY 56 -4.743 3.220 -5.388 432 HA2 GLY 56 HA2 GLY 56 -4.370 5.547 -5.215 433 HA3 GLY 56 HA3 GLY 56 -6.012 5.831 -5.784 434 H GLY 57 H GLY 57 -5.881 3.398 -3.444 435 HA2 GLY 57 HA2 GLY 57 -7.502 4.706 -1.587 436 HA3 GLY 57 HA3 GLY 57 -6.527 3.283 -1.238 437 H THR 58 H THR 58 -6.314 6.817 -1.552 438 HA THR 58 HA THR 58 -3.807 7.025 -0.192 439 HB THR 58 HB THR 58 -4.215 9.418 -0.221 440 HG1 THR 58 HG1 THR 58 -6.226 9.888 0.179 441 HG21 THR 58 HG21 THR 58 -5.438 9.010 -2.798 442 HG22 THR 58 HG22 THR 58 -4.267 7.728 -2.489 443 HG23 THR 58 HG23 THR 58 -3.764 9.418 -2.423 444 H ASP 59 H ASP 59 -6.930 6.366 0.863 445 HA ASP 59 HA ASP 59 -7.150 7.757 3.278 446 HB2 ASP 59 HB2 ASP 59 -8.930 6.347 2.206 447 HB3 ASP 59 HB3 ASP 59 -8.066 4.920 2.778 448 H ARG 60 H ARG 60 -6.727 7.114 5.442 449 HA ARG 60 HA ARG 60 -5.372 6.373 7.138 450 HB2 ARG 60 HB2 ARG 60 -5.208 3.945 5.336 451 HB3 ARG 60 HB3 ARG 60 -4.626 3.999 6.999 452 HG2 ARG 60 HG2 ARG 60 -6.922 4.635 7.743 453 HG3 ARG 60 HG3 ARG 60 -7.480 4.443 6.080 454 HD2 ARG 60 HD2 ARG 60 -6.631 2.081 6.136 455 HD3 ARG 60 HD3 ARG 60 -6.277 2.298 7.847 456 HE ARG 60 HE ARG 60 -9.018 2.884 7.058 457 HH11 ARG 60 HH11 ARG 60 -6.709 0.595 8.243 458 HH12 ARG 60 HH12 ARG 60 -7.895 -0.429 8.981 459 HH21 ARG 60 HH21 ARG 60 -10.580 1.547 8.025 460 HH22 ARG 60 HH22 ARG 60 -10.087 0.111 8.858 461 H PHE 61 H PHE 61 -3.056 4.765 7.055 462 HA PHE 61 HA PHE 61 -0.781 5.072 6.874 463 HB2 PHE 61 HB2 PHE 61 -1.144 6.011 4.060 464 HB3 PHE 61 HB3 PHE 61 0.015 4.857 4.719 465 HD1 PHE 61 HD1 PHE 61 -1.931 3.172 6.329 466 HD2 PHE 61 HD2 PHE 61 -2.107 4.690 2.314 467 HE1 PHE 61 HE1 PHE 61 -3.428 1.303 5.688 468 HE2 PHE 61 HE2 PHE 61 -3.605 2.819 1.674 469 HZ PHE 61 HZ PHE 61 -4.265 1.126 3.361 470 HA PRO 62 HA PRO 62 -1.424 9.755 7.080 471 HB2 PRO 62 HB2 PRO 62 -0.782 9.945 9.764 472 HB3 PRO 62 HB3 PRO 62 -2.432 9.822 9.131 473 HG2 PRO 62 HG2 PRO 62 -0.705 7.730 10.334 474 HG3 PRO 62 HG3 PRO 62 -2.457 7.963 10.458 475 HD2 PRO 62 HD2 PRO 62 -1.331 6.071 8.843 476 HD3 PRO 62 HD3 PRO 62 -2.883 6.852 8.473 477 H GLY 63 H GLY 63 0.276 11.106 6.746 478 HA2 GLY 63 HA2 GLY 63 2.437 11.952 6.825 479 HA3 GLY 63 HA3 GLY 63 2.862 10.674 7.961 480 H ARG 64 H ARG 64 4.827 10.900 6.407 481 HA ARG 64 HA ARG 64 4.445 9.037 4.143 482 HB2 ARG 64 HB2 ARG 64 5.129 11.311 3.451 483 HB3 ARG 64 HB3 ARG 64 6.567 11.174 4.461 484 HG2 ARG 64 HG2 ARG 64 7.255 9.166 3.155 485 HG3 ARG 64 HG3 ARG 64 5.853 9.395 2.111 486 HD2 ARG 64 HD2 ARG 64 8.070 11.418 2.532 487 HD3 ARG 64 HD3 ARG 64 7.892 10.382 1.118 488 HE ARG 64 HE ARG 64 6.303 12.735 1.757 489 HH11 ARG 64 HH11 ARG 64 6.644 9.810 -0.060 490 HH12 ARG 64 HH12 ARG 64 5.553 10.298 -1.314 491 HH21 ARG 64 HH21 ARG 64 4.869 13.382 0.117 492 HH22 ARG 64 HH22 ARG 64 4.549 12.320 -1.214 493 H SER 65 H SER 65 7.605 9.993 5.180 494 HA SER 65 HA SER 65 9.392 8.588 5.695 495 HB2 SER 65 HB2 SER 65 9.197 7.799 8.036 496 HB3 SER 65 HB3 SER 65 8.669 9.468 7.848 497 HG SER 65 HG SER 65 6.530 8.157 7.416 498 H MET 66 H MET 66 7.255 7.289 4.061 499 HA MET 66 HA MET 66 6.741 4.668 4.934 500 HB2 MET 66 HB2 MET 66 7.018 5.819 2.153 501 HB3 MET 66 HB3 MET 66 6.469 4.175 2.478 502 HG2 MET 66 HG2 MET 66 5.166 6.622 3.695 503 HG3 MET 66 HG3 MET 66 4.612 5.880 2.193 504 HE1 MET 66 HE1 MET 66 4.339 5.777 6.084 505 HE2 MET 66 HE2 MET 66 2.719 5.121 5.864 506 HE3 MET 66 HE3 MET 66 3.236 6.510 4.911 507 H ARG 67 H ARG 67 9.522 6.083 3.301 508 HA ARG 67 HA ARG 67 10.843 3.743 2.518 509 HB2 ARG 67 HB2 ARG 67 11.984 6.391 3.438 510 HB3 ARG 67 HB3 ARG 67 12.916 5.122 2.643 511 HG2 ARG 67 HG2 ARG 67 11.344 5.237 0.706 512 HG3 ARG 67 HG3 ARG 67 10.531 6.593 1.487 513 HD2 ARG 67 HD2 ARG 67 12.732 7.801 1.537 514 HD3 ARG 67 HD3 ARG 67 13.422 6.485 0.592 515 HE ARG 67 HE ARG 67 11.077 7.559 -0.655 516 HH11 ARG 67 HH11 ARG 67 14.446 8.073 -0.055 517 HH12 ARG 67 HH12 ARG 67 14.700 9.017 -1.485 518 HH21 ARG 67 HH21 ARG 67 11.402 8.795 -2.534 519 HH22 ARG 67 HH22 ARG 67 12.976 9.425 -2.889 520 H ALA 68 H ALA 68 10.743 5.401 5.634 521 HA ALA 68 HA ALA 68 12.805 3.973 6.915 522 HB1 ALA 68 HB1 ALA 68 10.335 5.361 7.951 523 HB2 ALA 68 HB2 ALA 68 12.005 5.927 7.995 524 HB3 ALA 68 HB3 ALA 68 11.501 4.587 9.025 525 H ALA 69 H ALA 69 9.388 3.244 6.428 526 HA ALA 69 HA ALA 69 9.232 1.031 8.186 527 HB1 ALA 69 HB1 ALA 69 7.094 0.884 7.463 528 HB2 ALA 69 HB2 ALA 69 7.569 0.886 5.764 529 HB3 ALA 69 HB3 ALA 69 7.439 2.408 6.645 530 H HIS 70 H HIS 70 10.201 1.345 4.807 531 HA HIS 70 HA HIS 70 10.615 -1.553 4.611 532 HB2 HIS 70 HB2 HIS 70 10.837 0.654 2.552 533 HB3 HIS 70 HB3 HIS 70 11.125 -1.054 2.224 534 HD1 HIS 70 HD1 HIS 70 8.398 1.412 2.898 535 HD2 HIS 70 HD2 HIS 70 8.768 -2.696 2.300 536 HE1 HIS 70 HE1 HIS 70 6.054 0.529 2.527 537 H GLN 71 H GLN 71 12.351 1.276 5.368 538 HA GLN 71 HA GLN 71 14.884 0.770 4.294 539 HB2 GLN 71 HB2 GLN 71 14.208 2.862 5.487 540 HB3 GLN 71 HB3 GLN 71 14.304 1.974 7.009 541 HG2 GLN 71 HG2 GLN 71 16.685 1.410 6.461 542 HG3 GLN 71 HG3 GLN 71 16.563 2.455 5.046 543 HE21 GLN 71 HE21 GLN 71 17.226 4.572 5.409 544 HE22 GLN 71 HE22 GLN 71 17.234 5.343 6.922 545 H ASP 72 H ASP 72 13.357 -0.436 7.250 546 HA ASP 72 HA ASP 72 15.589 -1.736 8.356 547 HB2 ASP 72 HB2 ASP 72 12.640 -2.384 8.534 548 HB3 ASP 72 HB3 ASP 72 13.881 -3.162 9.515 549 H LEU 73 H LEU 73 13.226 -2.777 5.945 550 HA LEU 73 HA LEU 73 13.961 -5.488 5.795 551 HB2 LEU 73 HB2 LEU 73 12.899 -3.679 3.612 552 HB3 LEU 73 HB3 LEU 73 12.915 -5.441 3.565 553 HG LEU 73 HG LEU 73 11.471 -3.759 5.634 554 HD11 LEU 73 HD11 LEU 73 10.578 -3.848 3.210 555 HD12 LEU 73 HD12 LEU 73 9.461 -4.295 4.500 556 HD13 LEU 73 HD13 LEU 73 10.242 -5.549 3.536 557 HD21 LEU 73 HD21 LEU 73 12.007 -6.681 5.296 558 HD22 LEU 73 HD22 LEU 73 10.418 -6.204 5.894 559 HD23 LEU 73 HD23 LEU 73 11.871 -5.732 6.776 560 H VAL 74 H VAL 74 15.168 -2.642 4.046 561 HA VAL 74 HA VAL 74 16.940 -4.052 2.342 562 HB VAL 74 HB VAL 74 16.952 -1.187 3.307 563 HG11 VAL 74 HG11 VAL 74 18.332 -1.203 0.953 564 HG12 VAL 74 HG12 VAL 74 18.852 -2.738 1.650 565 HG13 VAL 74 HG13 VAL 74 19.100 -1.236 2.540 566 HG21 VAL 74 HG21 VAL 74 15.922 -0.707 1.187 567 HG22 VAL 74 HG22 VAL 74 15.022 -2.050 1.892 568 HG23 VAL 74 HG23 VAL 74 16.198 -2.352 0.613 569 H GLU 75 H GLU 75 17.410 -2.461 5.484 570 HA GLU 75 HA GLU 75 20.199 -2.910 5.653 571 HB2 GLU 75 HB2 GLU 75 18.126 -2.543 7.828 572 HB3 GLU 75 HB3 GLU 75 19.868 -2.523 8.095 573 HG2 GLU 75 HG2 GLU 75 18.377 -0.658 6.226 574 HG3 GLU 75 HG3 GLU 75 18.937 -0.232 7.842 575 H ASN 76 H ASN 76 17.405 -4.862 6.526 576 HA ASN 76 HA ASN 76 19.106 -6.928 7.705 577 HB2 ASN 76 HB2 ASN 76 16.104 -6.754 7.376 578 HB3 ASN 76 HB3 ASN 76 16.956 -8.054 8.206 579 HD21 ASN 76 HD21 ASN 76 15.077 -6.365 9.578 580 HD22 ASN 76 HD22 ASN 76 15.934 -5.440 10.716 581 H ALA 77 H ALA 77 16.521 -6.870 5.234 582 HA ALA 77 HA ALA 77 17.812 -9.189 3.948 583 HB1 ALA 77 HB1 ALA 77 15.179 -8.778 4.656 584 HB2 ALA 77 HB2 ALA 77 15.749 -9.968 3.485 585 HB3 ALA 77 HB3 ALA 77 15.186 -8.389 2.935 586 H GLY 78 H GLY 78 18.166 -9.220 1.705 587 HA2 GLY 78 HA2 GLY 78 18.670 -6.578 0.558 588 HA3 GLY 78 HA3 GLY 78 19.238 -8.119 -0.078 589 H LEU 79 H LEU 79 17.093 -5.629 -0.564 590 HA LEU 79 HA LEU 79 15.104 -7.287 -1.958 591 HB2 LEU 79 HB2 LEU 79 14.345 -5.465 -0.407 592 HB3 LEU 79 HB3 LEU 79 15.087 -4.295 -1.497 593 HG LEU 79 HG LEU 79 13.655 -5.478 -3.340 594 HD11 LEU 79 HD11 LEU 79 12.029 -6.923 -2.699 595 HD12 LEU 79 HD12 LEU 79 11.610 -5.958 -1.284 596 HD13 LEU 79 HD13 LEU 79 12.961 -7.089 -1.211 597 HD21 LEU 79 HD21 LEU 79 13.013 -3.295 -3.014 598 HD22 LEU 79 HD22 LEU 79 12.876 -3.485 -1.266 599 HD23 LEU 79 HD23 LEU 79 11.596 -4.084 -2.322 600 H THR 80 H THR 80 14.924 -7.328 -4.138 601 HA THR 80 HA THR 80 16.829 -5.661 -5.668 602 HB THR 80 HB THR 80 16.951 -7.443 -7.299 603 HG1 THR 80 HG1 THR 80 15.740 -9.445 -6.238 604 HG21 THR 80 HG21 THR 80 17.648 -7.787 -4.506 605 HG22 THR 80 HG22 THR 80 18.556 -8.250 -5.945 606 HG23 THR 80 HG23 THR 80 17.348 -9.346 -5.274 607 H ASP 81 H ASP 81 16.145 -5.044 -7.827 608 HA ASP 81 HA ASP 81 13.611 -3.835 -7.876 609 HB2 ASP 81 HB2 ASP 81 15.539 -4.464 -10.117 610 HB3 ASP 81 HB3 ASP 81 14.108 -3.452 -10.301 611 H VAL 82 H VAL 82 14.747 -6.905 -9.217 612 HA VAL 82 HA VAL 82 12.551 -7.507 -10.836 613 HB VAL 82 HB VAL 82 14.505 -8.865 -11.007 614 HG11 VAL 82 HG11 VAL 82 14.026 -9.492 -8.081 615 HG12 VAL 82 HG12 VAL 82 15.403 -8.635 -8.774 616 HG13 VAL 82 HG13 VAL 82 15.181 -10.354 -9.095 617 HG21 VAL 82 HG21 VAL 82 12.666 -10.782 -9.626 618 HG22 VAL 82 HG22 VAL 82 13.480 -10.937 -11.182 619 HG23 VAL 82 HG23 VAL 82 12.057 -9.907 -11.030 620 H HIS 83 H HIS 83 13.009 -8.007 -7.353 621 HA HIS 83 HA HIS 83 10.754 -9.588 -6.861 622 HB2 HIS 83 HB2 HIS 83 12.181 -7.554 -5.150 623 HB3 HIS 83 HB3 HIS 83 10.830 -8.516 -4.550 624 HD2 HIS 83 HD2 HIS 83 11.369 -11.451 -4.861 625 HE1 HIS 83 HE1 HIS 83 15.540 -10.869 -4.582 626 HE2 HIS 83 HE2 HIS 83 13.685 -12.600 -4.497 627 H PHE 84 H PHE 84 11.071 -6.045 -6.949 628 HA PHE 84 HA PHE 84 8.412 -5.446 -6.225 629 HB2 PHE 84 HB2 PHE 84 10.262 -3.785 -6.280 630 HB3 PHE 84 HB3 PHE 84 10.238 -3.855 -8.042 631 HD1 PHE 84 HD1 PHE 84 8.275 -2.928 -5.033 632 HD2 PHE 84 HD2 PHE 84 8.516 -2.769 -9.319 633 HE1 PHE 84 HE1 PHE 84 6.424 -1.280 -5.076 634 HE2 PHE 84 HE2 PHE 84 6.664 -1.121 -9.362 635 HZ PHE 84 HZ PHE 84 5.618 -0.375 -7.240 636 H ASP 85 H ASP 85 9.933 -5.897 -9.402 637 HA ASP 85 HA ASP 85 7.635 -5.370 -10.956 638 HB2 ASP 85 HB2 ASP 85 9.977 -5.461 -11.826 639 HB3 ASP 85 HB3 ASP 85 9.930 -7.214 -11.646 640 H ALA 86 H ALA 86 8.840 -8.292 -9.402 641 HA ALA 86 HA ALA 86 7.123 -10.141 -10.671 642 HB1 ALA 86 HB1 ALA 86 8.280 -10.305 -7.881 643 HB2 ALA 86 HB2 ALA 86 9.143 -10.755 -9.351 644 HB3 ALA 86 HB3 ALA 86 7.703 -11.651 -8.862 645 H ILE 87 H ILE 87 6.854 -8.751 -7.379 646 HA ILE 87 HA ILE 87 4.244 -9.731 -6.928 647 HB ILE 87 HB ILE 87 5.891 -8.879 -5.187 648 HG12 ILE 87 HG12 ILE 87 3.142 -7.623 -5.000 649 HG13 ILE 87 HG13 ILE 87 3.402 -9.360 -4.842 650 HG21 ILE 87 HG21 ILE 87 5.940 -6.518 -4.720 651 HG22 ILE 87 HG22 ILE 87 4.701 -6.195 -5.931 652 HG23 ILE 87 HG23 ILE 87 6.309 -6.716 -6.433 653 HD11 ILE 87 HD11 ILE 87 4.858 -9.034 -2.936 654 HD12 ILE 87 HD12 ILE 87 3.368 -8.137 -2.643 655 HD13 ILE 87 HD13 ILE 87 4.825 -7.285 -3.154 656 H ALA 88 H ALA 88 5.445 -6.791 -8.427 657 HA ALA 88 HA ALA 88 2.968 -5.385 -8.459 658 HB1 ALA 88 HB1 ALA 88 4.984 -4.133 -8.786 659 HB2 ALA 88 HB2 ALA 88 4.084 -4.060 -10.300 660 HB3 ALA 88 HB3 ALA 88 5.464 -5.147 -10.146 661 H GLU 89 H GLU 89 4.606 -7.497 -10.792 662 HA GLU 89 HA GLU 89 2.742 -7.229 -12.891 663 HB2 GLU 89 HB2 GLU 89 5.011 -8.244 -13.116 664 HB3 GLU 89 HB3 GLU 89 4.431 -9.653 -12.227 665 HG2 GLU 89 HG2 GLU 89 2.653 -9.962 -13.948 666 HG3 GLU 89 HG3 GLU 89 3.340 -8.619 -14.859 667 H ASN 90 H ASN 90 2.863 -9.351 -10.076 668 HA ASN 90 HA ASN 90 0.827 -11.144 -10.765 669 HB2 ASN 90 HB2 ASN 90 1.625 -10.068 -8.052 670 HB3 ASN 90 HB3 ASN 90 0.555 -11.446 -8.304 671 HD21 ASN 90 HD21 ASN 90 3.046 -11.745 -6.929 672 HD22 ASN 90 HD22 ASN 90 4.076 -12.691 -7.891 673 H LEU 91 H LEU 91 0.681 -7.915 -9.343 674 HA LEU 91 HA LEU 91 -2.048 -7.893 -8.660 675 HB2 LEU 91 HB2 LEU 91 -0.398 -6.178 -7.939 676 HB3 LEU 91 HB3 LEU 91 -0.357 -5.563 -9.592 677 HG LEU 91 HG LEU 91 -2.830 -5.179 -9.459 678 HD11 LEU 91 HD11 LEU 91 -2.373 -6.500 -6.857 679 HD12 LEU 91 HD12 LEU 91 -3.844 -6.397 -7.824 680 HD13 LEU 91 HD13 LEU 91 -3.382 -5.055 -6.777 681 HD21 LEU 91 HD21 LEU 91 -1.553 -3.767 -7.131 682 HD22 LEU 91 HD22 LEU 91 -2.599 -3.112 -8.390 683 HD23 LEU 91 HD23 LEU 91 -0.921 -3.510 -8.757 684 H VAL 92 H VAL 92 -0.377 -7.106 -11.682 685 HA VAL 92 HA VAL 92 -2.650 -6.141 -13.076 686 HB VAL 92 HB VAL 92 -0.074 -7.381 -14.068 687 HG11 VAL 92 HG11 VAL 92 -2.386 -6.088 -15.528 688 HG12 VAL 92 HG12 VAL 92 -1.645 -7.657 -15.842 689 HG13 VAL 92 HG13 VAL 92 -0.766 -6.175 -16.222 690 HG21 VAL 92 HG21 VAL 92 -0.751 -4.842 -12.952 691 HG22 VAL 92 HG22 VAL 92 -0.437 -4.602 -14.671 692 HG23 VAL 92 HG23 VAL 92 0.790 -5.343 -13.645 693 H LEU 93 H LEU 93 -1.166 -9.358 -12.848 694 HA LEU 93 HA LEU 93 -2.878 -10.658 -14.681 695 HB2 LEU 93 HB2 LEU 93 -1.459 -11.822 -12.271 696 HB3 LEU 93 HB3 LEU 93 -2.104 -12.733 -13.636 697 HG LEU 93 HG LEU 93 0.092 -10.645 -13.772 698 HD11 LEU 93 HD11 LEU 93 0.046 -13.556 -13.409 699 HD12 LEU 93 HD12 LEU 93 1.369 -12.414 -13.163 700 HD13 LEU 93 HD13 LEU 93 1.036 -13.046 -14.777 701 HD21 LEU 93 HD21 LEU 93 0.201 -11.805 -16.160 702 HD22 LEU 93 HD22 LEU 93 -0.902 -10.462 -15.864 703 HD23 LEU 93 HD23 LEU 93 -1.504 -12.119 -15.837 704 H THR 94 H THR 94 -3.164 -9.955 -11.243 705 HA THR 94 HA THR 94 -5.323 -11.619 -10.608 706 HB THR 94 HB THR 94 -4.773 -8.852 -9.510 707 HG1 THR 94 HG1 THR 94 -3.920 -10.811 -7.954 708 HG21 THR 94 HG21 THR 94 -6.701 -10.956 -8.906 709 HG22 THR 94 HG22 THR 94 -6.641 -9.292 -8.325 710 HG23 THR 94 HG23 THR 94 -5.708 -10.546 -7.508 711 H LEU 95 H LEU 95 -5.257 -8.365 -12.011 712 HA LEU 95 HA LEU 95 -8.031 -7.871 -11.949 713 HB2 LEU 95 HB2 LEU 95 -5.997 -6.897 -13.970 714 HB3 LEU 95 HB3 LEU 95 -7.581 -6.183 -13.662 715 HG LEU 95 HG LEU 95 -5.306 -6.396 -11.667 716 HD11 LEU 95 HD11 LEU 95 -6.584 -3.912 -12.829 717 HD12 LEU 95 HD12 LEU 95 -5.162 -4.667 -13.548 718 HD13 LEU 95 HD13 LEU 95 -5.087 -4.030 -11.905 719 HD21 LEU 95 HD21 LEU 95 -8.196 -5.638 -11.449 720 HD22 LEU 95 HD22 LEU 95 -7.024 -4.733 -10.489 721 HD23 LEU 95 HD23 LEU 95 -7.168 -6.480 -10.288 722 H GLN 96 H GLN 96 -5.985 -9.557 -14.279 723 HA GLN 96 HA GLN 96 -7.867 -9.830 -16.355 724 HB2 GLN 96 HB2 GLN 96 -5.589 -11.648 -15.535 725 HB3 GLN 96 HB3 GLN 96 -6.477 -11.776 -17.054 726 HG2 GLN 96 HG2 GLN 96 -5.805 -9.500 -17.667 727 HG3 GLN 96 HG3 GLN 96 -4.964 -9.317 -16.129 728 HE21 GLN 96 HE21 GLN 96 -3.513 -9.040 -18.543 729 HE22 GLN 96 HE22 GLN 96 -2.463 -10.365 -18.712 730 H GLU 97 H GLU 97 -7.290 -11.728 -13.437 731 HA GLU 97 HA GLU 97 -8.972 -13.913 -14.068 732 HB2 GLU 97 HB2 GLU 97 -8.158 -12.758 -11.391 733 HB3 GLU 97 HB3 GLU 97 -8.982 -14.304 -11.605 734 HG2 GLU 97 HG2 GLU 97 -7.113 -15.072 -13.055 735 HG3 GLU 97 HG3 GLU 97 -6.280 -13.548 -12.755 736 H LEU 98 H LEU 98 -9.593 -10.741 -12.697 737 HA LEU 98 HA LEU 98 -12.343 -11.385 -12.022 738 HB2 LEU 98 HB2 LEU 98 -10.939 -8.704 -12.046 739 HB3 LEU 98 HB3 LEU 98 -12.487 -9.071 -11.285 740 HG LEU 98 HG LEU 98 -9.801 -10.269 -10.544 741 HD11 LEU 98 HD11 LEU 98 -11.362 -7.968 -9.610 742 HD12 LEU 98 HD12 LEU 98 -9.672 -8.373 -9.311 743 HD13 LEU 98 HD13 LEU 98 -10.940 -9.087 -8.315 744 HD21 LEU 98 HD21 LEU 98 -12.633 -10.914 -9.792 745 HD22 LEU 98 HD22 LEU 98 -11.376 -11.067 -8.564 746 HD23 LEU 98 HD23 LEU 98 -11.271 -12.004 -10.053 747 H ASN 99 H ASN 99 -10.797 -10.826 -14.865 748 HA ASN 99 HA ASN 99 -11.494 -10.232 -16.972 749 HB2 ASN 99 HB2 ASN 99 -13.419 -11.758 -16.171 750 HB3 ASN 99 HB3 ASN 99 -14.322 -10.261 -15.944 751 HD21 ASN 99 HD21 ASN 99 -15.753 -11.088 -17.746 752 HD22 ASN 99 HD22 ASN 99 -15.247 -10.874 -19.352 753 H VAL 100 H VAL 100 -10.592 -8.122 -15.622 754 HA VAL 100 HA VAL 100 -12.600 -5.992 -15.692 755 HB VAL 100 HB VAL 100 -9.674 -5.869 -14.925 756 HG11 VAL 100 HG11 VAL 100 -9.991 -3.656 -14.650 757 HG12 VAL 100 HG12 VAL 100 -11.463 -3.931 -13.720 758 HG13 VAL 100 HG13 VAL 100 -11.536 -3.837 -15.479 759 HG21 VAL 100 HG21 VAL 100 -11.602 -5.594 -12.772 760 HG22 VAL 100 HG22 VAL 100 -10.236 -6.703 -12.906 761 HG23 VAL 100 HG23 VAL 100 -11.800 -7.143 -13.595 762 H SER 101 H SER 101 -12.660 -4.399 -17.200 763 HA SER 101 HA SER 101 -11.617 -4.800 -19.751 764 HB2 SER 101 HB2 SER 101 -13.520 -3.301 -19.242 765 HB3 SER 101 HB3 SER 101 -12.407 -2.162 -18.491 766 HG SER 101 HG SER 101 -13.018 -2.463 -21.073 767 H GLN 102 H GLN 102 -9.849 -4.055 -20.852 768 HA GLN 102 HA GLN 102 -7.433 -3.729 -19.490 769 HB2 GLN 102 HB2 GLN 102 -7.709 -4.418 -21.889 770 HB3 GLN 102 HB3 GLN 102 -8.040 -2.731 -22.279 771 HG2 GLN 102 HG2 GLN 102 -5.705 -3.041 -22.675 772 HG3 GLN 102 HG3 GLN 102 -5.824 -2.170 -21.147 773 HE21 GLN 102 HE21 GLN 102 -4.572 -3.052 -19.501 774 HE22 GLN 102 HE22 GLN 102 -4.090 -4.677 -19.408 775 H ASP 103 H ASP 103 -9.707 -1.314 -20.719 776 HA ASP 103 HA ASP 103 -8.122 0.971 -20.462 777 HB2 ASP 103 HB2 ASP 103 -11.098 0.602 -20.084 778 HB3 ASP 103 HB3 ASP 103 -10.306 2.175 -20.146 779 H LEU 104 H LEU 104 -10.135 -0.682 -18.044 780 HA LEU 104 HA LEU 104 -9.676 1.206 -15.964 781 HB2 LEU 104 HB2 LEU 104 -10.428 -1.722 -15.788 782 HB3 LEU 104 HB3 LEU 104 -10.542 -0.553 -14.473 783 HG LEU 104 HG LEU 104 -12.017 -0.381 -17.117 784 HD11 LEU 104 HD11 LEU 104 -13.388 -1.856 -16.063 785 HD12 LEU 104 HD12 LEU 104 -13.878 -0.466 -15.094 786 HD13 LEU 104 HD13 LEU 104 -12.638 -1.567 -14.492 787 HD21 LEU 104 HD21 LEU 104 -11.852 1.844 -16.517 788 HD22 LEU 104 HD22 LEU 104 -11.650 1.475 -14.805 789 HD23 LEU 104 HD23 LEU 104 -13.250 1.398 -15.541 790 H ILE 105 H ILE 105 -8.039 -1.747 -16.991 791 HA ILE 105 HA ILE 105 -6.292 -2.012 -14.793 792 HB ILE 105 HB ILE 105 -5.869 -2.811 -17.683 793 HG12 ILE 105 HG12 ILE 105 -6.888 -4.415 -15.317 794 HG13 ILE 105 HG13 ILE 105 -7.921 -3.737 -16.575 795 HG21 ILE 105 HG21 ILE 105 -4.193 -2.970 -15.315 796 HG22 ILE 105 HG22 ILE 105 -3.806 -3.394 -16.983 797 HG23 ILE 105 HG23 ILE 105 -4.575 -4.579 -15.926 798 HD11 ILE 105 HD11 ILE 105 -6.378 -6.175 -16.626 799 HD12 ILE 105 HD12 ILE 105 -5.846 -5.103 -17.922 800 HD13 ILE 105 HD13 ILE 105 -7.542 -5.579 -17.810 801 H ASP 106 H ASP 106 -6.050 -0.182 -17.808 802 HA ASP 106 HA ASP 106 -3.371 0.617 -17.617 803 HB2 ASP 106 HB2 ASP 106 -5.762 2.030 -18.814 804 HB3 ASP 106 HB3 ASP 106 -4.095 2.562 -19.027 805 H GLU 107 H GLU 107 -6.303 1.981 -16.186 806 HA GLU 107 HA GLU 107 -5.152 4.354 -15.173 807 HB2 GLU 107 HB2 GLU 107 -7.496 2.722 -14.167 808 HB3 GLU 107 HB3 GLU 107 -7.093 4.345 -13.608 809 HG2 GLU 107 HG2 GLU 107 -7.294 5.176 -15.941 810 HG3 GLU 107 HG3 GLU 107 -7.771 3.559 -16.456 811 H VAL 108 H VAL 108 -5.392 1.079 -13.880 812 HA VAL 108 HA VAL 108 -4.448 1.663 -11.270 813 HB VAL 108 HB VAL 108 -4.392 -0.887 -12.896 814 HG11 VAL 108 HG11 VAL 108 -2.827 -1.472 -11.327 815 HG12 VAL 108 HG12 VAL 108 -4.255 -1.694 -10.316 816 HG13 VAL 108 HG13 VAL 108 -3.323 -0.200 -10.210 817 HG21 VAL 108 HG21 VAL 108 -6.625 0.087 -12.274 818 HG22 VAL 108 HG22 VAL 108 -6.147 -0.015 -10.578 819 HG23 VAL 108 HG23 VAL 108 -6.319 -1.486 -11.537 820 H VAL 109 H VAL 109 -2.830 0.748 -14.279 821 HA VAL 109 HA VAL 109 -0.242 0.370 -13.235 822 HB VAL 109 HB VAL 109 -1.167 1.263 -15.974 823 HG11 VAL 109 HG11 VAL 109 1.085 1.971 -15.872 824 HG12 VAL 109 HG12 VAL 109 1.185 0.359 -16.581 825 HG13 VAL 109 HG13 VAL 109 1.564 0.597 -14.875 826 HG21 VAL 109 HG21 VAL 109 -1.509 -1.147 -14.726 827 HG22 VAL 109 HG22 VAL 109 0.057 -1.391 -15.500 828 HG23 VAL 109 HG23 VAL 109 -1.350 -0.959 -16.472 829 H THR 110 H THR 110 -1.884 3.273 -14.449 830 HA THR 110 HA THR 110 0.335 5.011 -14.340 831 HB THR 110 HB THR 110 -2.580 5.711 -13.921 832 HG1 THR 110 HG1 THR 110 -2.805 5.426 -15.984 833 HG21 THR 110 HG21 THR 110 -1.250 7.706 -15.354 834 HG22 THR 110 HG22 THR 110 -0.112 7.243 -14.088 835 HG23 THR 110 HG23 THR 110 -1.736 7.783 -13.660 836 H ILE 111 H ILE 111 -2.148 4.209 -11.931 837 HA ILE 111 HA ILE 111 -1.325 6.037 -9.950 838 HB ILE 111 HB ILE 111 -2.720 3.366 -9.691 839 HG12 ILE 111 HG12 ILE 111 -3.795 6.205 -9.682 840 HG13 ILE 111 HG13 ILE 111 -3.845 5.127 -11.078 841 HG21 ILE 111 HG21 ILE 111 -2.247 5.612 -7.715 842 HG22 ILE 111 HG22 ILE 111 -1.805 3.914 -7.540 843 HG23 ILE 111 HG23 ILE 111 -3.502 4.393 -7.499 844 HD11 ILE 111 HD11 ILE 111 -5.720 4.174 -10.289 845 HD12 ILE 111 HD12 ILE 111 -5.690 5.273 -8.910 846 HD13 ILE 111 HD13 ILE 111 -4.875 3.713 -8.813 847 H VAL 112 H VAL 112 -0.558 2.566 -10.319 848 HA VAL 112 HA VAL 112 1.387 2.662 -8.182 849 HB VAL 112 HB VAL 112 1.814 0.326 -8.747 850 HG11 VAL 112 HG11 VAL 112 -1.033 1.293 -8.622 851 HG12 VAL 112 HG12 VAL 112 -0.078 0.491 -7.374 852 HG13 VAL 112 HG13 VAL 112 -0.691 -0.433 -8.745 853 HG21 VAL 112 HG21 VAL 112 -0.101 -0.201 -10.752 854 HG22 VAL 112 HG22 VAL 112 1.654 -0.293 -10.910 855 HG23 VAL 112 HG23 VAL 112 0.808 1.199 -11.318 856 H GLY 113 H GLY 113 1.355 3.129 -11.600 857 HA2 GLY 113 HA2 GLY 113 3.979 2.510 -12.322 858 HA3 GLY 113 HA3 GLY 113 2.990 3.745 -13.093 859 H SER 114 H SER 114 2.725 5.180 -10.466 860 HA SER 114 HA SER 114 4.517 7.197 -10.743 861 HB2 SER 114 HB2 SER 114 3.488 6.054 -8.138 862 HB3 SER 114 HB3 SER 114 4.269 7.625 -8.301 863 HG SER 114 HG SER 114 2.577 8.362 -9.429 864 H VAL 115 H VAL 115 6.645 7.254 -10.859 865 HA VAL 115 HA VAL 115 8.335 5.116 -10.070 866 HB VAL 115 HB VAL 115 8.946 7.976 -10.840 867 HG11 VAL 115 HG11 VAL 115 11.200 6.469 -11.342 868 HG12 VAL 115 HG12 VAL 115 10.646 5.812 -9.802 869 HG13 VAL 115 HG13 VAL 115 10.987 7.536 -9.954 870 HG21 VAL 115 HG21 VAL 115 9.498 5.492 -12.449 871 HG22 VAL 115 HG22 VAL 115 9.268 7.148 -13.011 872 HG23 VAL 115 HG23 VAL 115 7.884 6.204 -12.458 873 H GLN 116 H GLN 116 7.372 8.126 -8.526 874 HA GLN 116 HA GLN 116 9.294 8.385 -6.558 875 HB2 GLN 116 HB2 GLN 116 7.383 9.953 -6.987 876 HB3 GLN 116 HB3 GLN 116 6.331 8.818 -6.140 877 HG2 GLN 116 HG2 GLN 116 7.016 10.444 -4.518 878 HG3 GLN 116 HG3 GLN 116 7.931 8.976 -4.174 879 HE21 GLN 116 HE21 GLN 116 9.882 9.865 -3.372 880 HE22 GLN 116 HE22 GLN 116 10.862 10.932 -4.258 881 H HIS 117 H HIS 117 6.380 6.337 -6.509 882 HA HIS 117 HA HIS 117 6.763 5.355 -3.876 883 HB2 HIS 117 HB2 HIS 117 4.620 5.199 -5.135 884 HB3 HIS 117 HB3 HIS 117 5.359 3.989 -6.184 885 HD1 HIS 117 HD1 HIS 117 5.702 4.300 -2.407 886 HD2 HIS 117 HD2 HIS 117 4.162 1.663 -5.242 887 HE1 HIS 117 HE1 HIS 117 4.989 2.236 -1.139 888 H ARG 118 H ARG 118 7.676 4.069 -7.062 889 HA ARG 118 HA ARG 118 8.806 1.653 -6.197 890 HB2 ARG 118 HB2 ARG 118 8.328 2.251 -8.569 891 HB3 ARG 118 HB3 ARG 118 9.701 3.356 -8.533 892 HG2 ARG 118 HG2 ARG 118 11.190 1.458 -7.947 893 HG3 ARG 118 HG3 ARG 118 9.812 0.363 -8.059 894 HD2 ARG 118 HD2 ARG 118 9.479 1.123 -10.427 895 HD3 ARG 118 HD3 ARG 118 10.966 2.056 -10.292 896 HE ARG 118 HE ARG 118 11.798 -0.411 -9.590 897 HH11 ARG 118 HH11 ARG 118 9.829 0.771 -12.177 898 HH12 ARG 118 HH12 ARG 118 10.308 -0.465 -13.293 899 HH21 ARG 118 HH21 ARG 118 12.432 -2.037 -11.048 900 HH22 ARG 118 HH22 ARG 118 11.781 -2.055 -12.653 901 H ASN 119 H ASN 119 10.257 4.869 -6.606 902 HA ASN 119 HA ASN 119 12.907 4.128 -5.950 903 HB2 ASN 119 HB2 ASN 119 11.475 6.779 -5.672 904 HB3 ASN 119 HB3 ASN 119 13.214 6.559 -5.484 905 HD21 ASN 119 HD21 ASN 119 12.197 8.244 -7.541 906 HD22 ASN 119 HD22 ASN 119 12.506 7.514 -9.042 907 H ASP 120 H ASP 120 10.154 5.151 -3.993 908 HA ASP 120 HA ASP 120 11.484 5.534 -1.552 909 HB2 ASP 120 HB2 ASP 120 8.664 4.619 -2.139 910 HB3 ASP 120 HB3 ASP 120 9.242 5.045 -0.530 911 H VAL 121 H VAL 121 10.160 2.611 -3.045 912 HA VAL 121 HA VAL 121 10.515 0.882 -0.839 913 HB VAL 121 HB VAL 121 10.490 0.329 -3.814 914 HG11 VAL 121 HG11 VAL 121 9.978 -2.027 -3.060 915 HG12 VAL 121 HG12 VAL 121 10.445 -1.541 -1.431 916 HG13 VAL 121 HG13 VAL 121 11.630 -1.504 -2.735 917 HG21 VAL 121 HG21 VAL 121 8.472 1.049 -1.958 918 HG22 VAL 121 HG22 VAL 121 8.260 -0.671 -2.283 919 HG23 VAL 121 HG23 VAL 121 8.251 0.486 -3.614 920 H LEU 122 H LEU 122 12.626 1.714 -3.565 921 HA LEU 122 HA LEU 122 14.757 -0.018 -2.716 922 HB2 LEU 122 HB2 LEU 122 14.811 2.308 -4.656 923 HB3 LEU 122 HB3 LEU 122 16.049 1.062 -4.489 924 HG LEU 122 HG LEU 122 13.169 0.620 -5.332 925 HD11 LEU 122 HD11 LEU 122 14.086 0.086 -7.496 926 HD12 LEU 122 HD12 LEU 122 15.736 0.178 -6.880 927 HD13 LEU 122 HD13 LEU 122 14.762 1.643 -7.015 928 HD21 LEU 122 HD21 LEU 122 15.403 -1.225 -4.560 929 HD22 LEU 122 HD22 LEU 122 14.311 -1.720 -5.852 930 HD23 LEU 122 HD23 LEU 122 13.675 -1.373 -4.245 931 H ASN 123 H ASN 123 13.648 3.063 -1.790 932 HA ASN 123 HA ASN 123 14.445 4.643 -0.331 933 HB2 ASN 123 HB2 ASN 123 16.395 2.455 0.427 934 HB3 ASN 123 HB3 ASN 123 16.071 3.915 1.357 935 HD21 ASN 123 HD21 ASN 123 15.557 1.022 2.090 936 HD22 ASN 123 HD22 ASN 123 13.899 0.954 2.454 937 H ARG 124 H ARG 124 15.323 4.867 -2.936 938 HA ARG 124 HA ARG 124 18.198 5.416 -2.829 939 HB2 ARG 124 HB2 ARG 124 16.185 5.493 -5.086 940 HB3 ARG 124 HB3 ARG 124 17.882 5.942 -5.266 941 HG2 ARG 124 HG2 ARG 124 18.563 3.699 -4.501 942 HG3 ARG 124 HG3 ARG 124 16.868 3.246 -4.317 943 HD2 ARG 124 HD2 ARG 124 17.641 2.411 -6.454 944 HD3 ARG 124 HD3 ARG 124 16.532 3.747 -6.752 945 HE ARG 124 HE ARG 124 18.297 4.889 -7.717 946 HH11 ARG 124 HH11 ARG 124 19.466 2.406 -5.610 947 HH12 ARG 124 HH12 ARG 124 21.130 2.648 -6.022 948 HH21 ARG 124 HH21 ARG 124 20.476 5.212 -8.262 949 HH22 ARG 124 HH22 ARG 124 21.703 4.238 -7.524 950 HHA HEB 125 HHA HEB 125 4.381 -2.316 6.699 951 HHB HEB 125 HHB HEB 125 2.246 1.393 2.034 952 HHC HEB 125 HHC HEB 125 5.466 -2.093 -2.177 953 HHD HEB 125 HHD HEB 125 7.513 -5.825 2.468 954 HMA1 HEB 125 HMA1 HEB 125 0.918 1.676 3.885 955 HMA2 HEB 125 HMA2 HEB 125 2.283 2.605 4.499 956 HMA3 HEB 125 HMA3 HEB 125 1.218 1.762 5.616 957 HAA1 HEB 125 HAA1 HEB 125 2.669 -1.149 7.455 958 HAA2 HEB 125 HAA2 HEB 125 1.704 0.268 7.128 959 HBA1 HEB 125 HBA1 HEB 125 3.557 1.735 7.485 960 HBA2 HEB 125 HBA2 HEB 125 4.700 0.394 7.479 961 HMB1 HEB 125 HMB1 HEB 125 2.658 2.668 -0.062 962 HMB2 HEB 125 HMB2 HEB 125 1.277 1.611 -0.355 963 HMB3 HEB 125 HMB3 HEB 125 2.335 2.071 -1.690 964 HAB2 HEB 125 HAB2 HEB 125 4.434 -0.586 -3.253 965 HBB1 HEB 125 HBB1 HEB 125 2.380 -0.698 -4.102 966 HBB2 HEB 125 HBB2 HEB 125 2.166 1.028 -3.807 967 HBB3 HEB 125 HBB3 HEB 125 1.711 -0.142 -2.568 968 HMC1 HEB 125 HMC1 HEB 125 6.183 -4.142 -3.051 969 HMC2 HEB 125 HMC2 HEB 125 7.542 -5.200 -2.667 970 HMC3 HEB 125 HMC3 HEB 125 7.782 -3.455 -2.769 971 HAC HEB 125 HAC HEB 125 9.022 -5.994 0.320 972 HBC1 HEB 125 HBC1 HEB 125 6.702 -7.138 -1.374 973 HBC2 HEB 125 HBC2 HEB 125 8.320 -7.961 -0.983 974 HMD1 HEB 125 HMD1 HEB 125 8.310 -6.271 4.517 975 HMD2 HEB 125 HMD2 HEB 125 6.880 -7.152 5.050 976 HMD3 HEB 125 HMD3 HEB 125 7.819 -6.207 6.204 977 HAD1 HEB 125 HAD1 HEB 125 6.084 -5.571 7.480 978 HAD2 HEB 125 HAD2 HEB 125 4.862 -4.321 7.610 979 HBD1 HEB 125 HBD1 HEB 125 7.028 -2.746 7.485 980 HBD2 HEB 125 HBD2 HEB 125 7.779 -4.185 8.173 Start of MODEL 13 1 H1 ALA 2 H1 ALA 2 -12.632 10.540 -0.488 2 H2 ALA 2 H2 ALA 2 -14.250 10.041 -0.344 3 H3 ALA 2 H3 ALA 2 -13.780 11.047 -1.630 4 HA ALA 2 HA ALA 2 -14.036 8.850 -2.481 5 HB1 ALA 2 HB1 ALA 2 -11.727 8.452 -3.292 6 HB2 ALA 2 HB2 ALA 2 -11.118 9.572 -2.073 7 HB3 ALA 2 HB3 ALA 2 -12.157 10.160 -3.371 8 H SER 3 H SER 3 -14.651 7.014 -1.506 9 HA SER 3 HA SER 3 -12.810 5.803 0.471 10 HB2 SER 3 HB2 SER 3 -14.985 6.524 1.434 11 HB3 SER 3 HB3 SER 3 -15.814 5.471 0.292 12 HG SER 3 HG SER 3 -14.882 4.817 2.631 13 H LEU 4 H LEU 4 -12.242 3.689 0.211 14 HA LEU 4 HA LEU 4 -12.315 2.537 -2.345 15 HB2 LEU 4 HB2 LEU 4 -10.646 1.985 -0.583 16 HB3 LEU 4 HB3 LEU 4 -11.904 1.117 0.296 17 HG LEU 4 HG LEU 4 -12.253 -0.314 -1.744 18 HD11 LEU 4 HD11 LEU 4 -10.061 -0.229 -3.238 19 HD12 LEU 4 HD12 LEU 4 -10.030 1.451 -2.705 20 HD13 LEU 4 HD13 LEU 4 -11.427 0.831 -3.585 21 HD21 LEU 4 HD21 LEU 4 -9.560 -0.223 -0.370 22 HD22 LEU 4 HD22 LEU 4 -10.004 -1.521 -1.478 23 HD23 LEU 4 HD23 LEU 4 -10.933 -1.265 -0.001 24 H TYR 5 H TYR 5 -14.385 2.065 0.479 25 HA TYR 5 HA TYR 5 -15.814 -0.177 -0.458 26 HB2 TYR 5 HB2 TYR 5 -16.799 2.048 1.345 27 HB3 TYR 5 HB3 TYR 5 -17.495 0.433 1.204 28 HD1 TYR 5 HD1 TYR 5 -15.950 -1.577 1.705 29 HD2 TYR 5 HD2 TYR 5 -15.045 2.458 2.861 30 HE1 TYR 5 HE1 TYR 5 -14.339 -2.424 3.390 31 HE2 TYR 5 HE2 TYR 5 -13.434 1.613 4.548 32 HH TYR 5 HH TYR 5 -13.301 -0.868 5.879 33 H GLU 6 H GLU 6 -16.417 3.305 -0.801 34 HA GLU 6 HA GLU 6 -18.884 3.040 -2.187 35 HB2 GLU 6 HB2 GLU 6 -18.120 5.118 -1.036 36 HB3 GLU 6 HB3 GLU 6 -16.917 5.335 -2.308 37 HG2 GLU 6 HG2 GLU 6 -18.843 6.666 -2.896 38 HG3 GLU 6 HG3 GLU 6 -18.799 5.282 -3.987 39 H LYS 7 H LYS 7 -15.518 3.226 -3.234 40 HA LYS 7 HA LYS 7 -15.941 3.632 -5.977 41 HB2 LYS 7 HB2 LYS 7 -13.736 3.749 -4.759 42 HB3 LYS 7 HB3 LYS 7 -13.725 1.987 -4.746 43 HG2 LYS 7 HG2 LYS 7 -12.479 2.545 -6.676 44 HG3 LYS 7 HG3 LYS 7 -14.080 2.148 -7.299 45 HD2 LYS 7 HD2 LYS 7 -14.152 4.182 -8.259 46 HD3 LYS 7 HD3 LYS 7 -14.163 4.901 -6.649 47 HE2 LYS 7 HE2 LYS 7 -11.623 4.671 -6.670 48 HE3 LYS 7 HE3 LYS 7 -11.762 4.284 -8.385 49 HZ1 LYS 7 HZ1 LYS 7 -11.460 6.555 -8.394 50 HZ2 LYS 7 HZ2 LYS 7 -12.393 6.803 -6.996 51 HZ3 LYS 7 HZ3 LYS 7 -13.150 6.432 -8.472 52 H LEU 8 H LEU 8 -15.412 0.559 -4.227 53 HA LEU 8 HA LEU 8 -15.962 -1.053 -6.527 54 HB2 LEU 8 HB2 LEU 8 -15.953 -1.810 -3.594 55 HB3 LEU 8 HB3 LEU 8 -15.912 -2.933 -4.954 56 HG LEU 8 HG LEU 8 -13.812 -0.837 -4.316 57 HD11 LEU 8 HD11 LEU 8 -14.009 -3.815 -3.925 58 HD12 LEU 8 HD12 LEU 8 -13.456 -2.584 -2.792 59 HD13 LEU 8 HD13 LEU 8 -12.435 -3.051 -4.151 60 HD21 LEU 8 HD21 LEU 8 -13.650 -1.008 -6.624 61 HD22 LEU 8 HD22 LEU 8 -14.305 -2.646 -6.653 62 HD23 LEU 8 HD23 LEU 8 -12.637 -2.372 -6.151 63 H GLY 9 H GLY 9 -17.855 0.074 -3.773 64 HA2 GLY 9 HA2 GLY 9 -20.184 0.426 -3.786 65 HA3 GLY 9 HA3 GLY 9 -20.308 -0.585 -5.222 66 H GLY 10 H GLY 10 -18.321 -2.142 -3.066 67 HA2 GLY 10 HA2 GLY 10 -20.326 -3.323 -1.353 68 HA3 GLY 10 HA3 GLY 10 -19.796 -4.390 -2.650 69 H ALA 11 H ALA 11 -19.154 -3.299 0.470 70 HA ALA 11 HA ALA 11 -16.332 -3.539 0.594 71 HB1 ALA 11 HB1 ALA 11 -16.575 -3.407 2.928 72 HB2 ALA 11 HB2 ALA 11 -18.166 -4.166 2.896 73 HB3 ALA 11 HB3 ALA 11 -17.966 -2.513 2.315 74 H ALA 12 H ALA 12 -18.952 -5.872 0.860 75 HA ALA 12 HA ALA 12 -17.474 -8.027 1.922 76 HB1 ALA 12 HB1 ALA 12 -20.106 -7.585 0.893 77 HB2 ALA 12 HB2 ALA 12 -19.529 -8.908 1.906 78 HB3 ALA 12 HB3 ALA 12 -19.447 -9.042 0.150 79 H ALA 13 H ALA 13 -17.862 -6.817 -1.354 80 HA ALA 13 HA ALA 13 -16.820 -9.037 -2.746 81 HB1 ALA 13 HB1 ALA 13 -17.798 -6.517 -3.418 82 HB2 ALA 13 HB2 ALA 13 -17.213 -7.746 -4.539 83 HB3 ALA 13 HB3 ALA 13 -16.120 -6.490 -3.959 84 H VAL 14 H VAL 14 -15.275 -6.418 -1.011 85 HA VAL 14 HA VAL 14 -12.691 -6.595 -2.095 86 HB VAL 14 HB VAL 14 -13.615 -5.829 0.679 87 HG11 VAL 14 HG11 VAL 14 -11.382 -6.217 1.112 88 HG12 VAL 14 HG12 VAL 14 -11.256 -4.591 0.442 89 HG13 VAL 14 HG13 VAL 14 -10.909 -5.991 -0.571 90 HG21 VAL 14 HG21 VAL 14 -13.990 -3.770 -0.192 91 HG22 VAL 14 HG22 VAL 14 -13.949 -4.565 -1.765 92 HG23 VAL 14 HG23 VAL 14 -12.493 -3.806 -1.122 93 H ASP 15 H ASP 15 -14.203 -8.369 0.585 94 HA ASP 15 HA ASP 15 -11.922 -9.737 1.476 95 HB2 ASP 15 HB2 ASP 15 -14.836 -10.543 1.504 96 HB3 ASP 15 HB3 ASP 15 -13.565 -11.421 2.351 97 H LEU 16 H LEU 16 -14.300 -10.609 -1.021 98 HA LEU 16 HA LEU 16 -13.104 -13.138 -1.606 99 HB2 LEU 16 HB2 LEU 16 -15.071 -11.389 -3.083 100 HB3 LEU 16 HB3 LEU 16 -14.496 -12.921 -3.738 101 HG LEU 16 HG LEU 16 -15.214 -13.986 -1.529 102 HD11 LEU 16 HD11 LEU 16 -17.098 -12.626 -0.423 103 HD12 LEU 16 HD12 LEU 16 -16.418 -11.227 -1.254 104 HD13 LEU 16 HD13 LEU 16 -15.445 -12.116 -0.082 105 HD21 LEU 16 HD21 LEU 16 -16.493 -14.067 -3.715 106 HD22 LEU 16 HD22 LEU 16 -17.444 -12.701 -3.128 107 HD23 LEU 16 HD23 LEU 16 -17.491 -14.242 -2.271 108 H ALA 17 H ALA 17 -12.837 -9.897 -3.012 109 HA ALA 17 HA ALA 17 -11.210 -10.637 -5.215 110 HB1 ALA 17 HB1 ALA 17 -11.624 -8.497 -5.723 111 HB2 ALA 17 HB2 ALA 17 -10.571 -7.989 -4.404 112 HB3 ALA 17 HB3 ALA 17 -12.294 -8.232 -4.113 113 H VAL 18 H VAL 18 -10.461 -9.532 -1.935 114 HA VAL 18 HA VAL 18 -7.650 -9.378 -2.286 115 HB VAL 18 HB VAL 18 -9.340 -9.742 0.195 116 HG11 VAL 18 HG11 VAL 18 -7.283 -10.455 0.983 117 HG12 VAL 18 HG12 VAL 18 -7.076 -8.712 1.150 118 HG13 VAL 18 HG13 VAL 18 -6.386 -9.553 -0.238 119 HG21 VAL 18 HG21 VAL 18 -7.812 -7.270 -0.528 120 HG22 VAL 18 HG22 VAL 18 -9.325 -7.429 0.364 121 HG23 VAL 18 HG23 VAL 18 -9.314 -7.600 -1.392 122 H GLU 19 H GLU 19 -9.814 -11.975 -1.247 123 HA GLU 19 HA GLU 19 -7.919 -13.797 -0.306 124 HB2 GLU 19 HB2 GLU 19 -10.385 -14.063 -0.105 125 HB3 GLU 19 HB3 GLU 19 -10.454 -14.446 -1.825 126 HG2 GLU 19 HG2 GLU 19 -8.878 -16.338 -1.430 127 HG3 GLU 19 HG3 GLU 19 -8.935 -15.987 0.297 128 H LYS 20 H LYS 20 -9.078 -13.239 -3.620 129 HA LYS 20 HA LYS 20 -7.664 -15.375 -4.822 130 HB2 LYS 20 HB2 LYS 20 -8.465 -12.728 -6.053 131 HB3 LYS 20 HB3 LYS 20 -8.049 -14.199 -6.929 132 HG2 LYS 20 HG2 LYS 20 -10.347 -13.987 -4.964 133 HG3 LYS 20 HG3 LYS 20 -10.522 -13.834 -6.710 134 HD2 LYS 20 HD2 LYS 20 -9.346 -16.135 -6.837 135 HD3 LYS 20 HD3 LYS 20 -9.705 -16.264 -5.115 136 HE2 LYS 20 HE2 LYS 20 -11.725 -17.056 -5.731 137 HE3 LYS 20 HE3 LYS 20 -12.108 -15.401 -6.204 138 HZ1 LYS 20 HZ1 LYS 20 -12.231 -16.083 -8.291 139 HZ2 LYS 20 HZ2 LYS 20 -11.798 -17.663 -7.841 140 HZ3 LYS 20 HZ3 LYS 20 -10.597 -16.533 -8.250 141 H PHE 21 H PHE 21 -6.815 -11.982 -4.248 142 HA PHE 21 HA PHE 21 -4.343 -12.011 -5.613 143 HB2 PHE 21 HB2 PHE 21 -5.533 -9.946 -4.902 144 HB3 PHE 21 HB3 PHE 21 -5.123 -10.320 -3.228 145 HD1 PHE 21 HD1 PHE 21 -3.601 -9.735 -6.592 146 HD2 PHE 21 HD2 PHE 21 -3.029 -9.705 -2.335 147 HE1 PHE 21 HE1 PHE 21 -1.375 -8.685 -6.897 148 HE2 PHE 21 HE2 PHE 21 -0.802 -8.657 -2.643 149 HZ PHE 21 HZ PHE 21 0.023 -8.147 -4.923 150 H TYR 22 H TYR 22 -5.188 -12.670 -2.231 151 HA TYR 22 HA TYR 22 -2.603 -12.959 -1.200 152 HB2 TYR 22 HB2 TYR 22 -4.605 -12.885 0.217 153 HB3 TYR 22 HB3 TYR 22 -5.118 -14.451 -0.413 154 HD1 TYR 22 HD1 TYR 22 -2.554 -12.704 1.614 155 HD2 TYR 22 HD2 TYR 22 -4.074 -16.501 0.301 156 HE1 TYR 22 HE1 TYR 22 -1.139 -13.853 3.296 157 HE2 TYR 22 HE2 TYR 22 -2.661 -17.649 1.983 158 HH TYR 22 HH TYR 22 -0.267 -15.902 3.872 159 H GLY 23 H GLY 23 -4.706 -15.315 -2.819 160 HA2 GLY 23 HA2 GLY 23 -3.166 -17.615 -2.428 161 HA3 GLY 23 HA3 GLY 23 -4.233 -17.343 -3.801 162 H LYS 24 H LYS 24 -3.004 -15.176 -5.016 163 HA LYS 24 HA LYS 24 -0.968 -16.422 -6.525 164 HB2 LYS 24 HB2 LYS 24 -1.707 -13.498 -6.258 165 HB3 LYS 24 HB3 LYS 24 -0.604 -14.144 -7.474 166 HG2 LYS 24 HG2 LYS 24 -2.428 -15.655 -8.268 167 HG3 LYS 24 HG3 LYS 24 -3.524 -14.879 -7.124 168 HD2 LYS 24 HD2 LYS 24 -3.042 -12.683 -8.216 169 HD3 LYS 24 HD3 LYS 24 -2.064 -13.531 -9.414 170 HE2 LYS 24 HE2 LYS 24 -5.039 -13.684 -8.970 171 HE3 LYS 24 HE3 LYS 24 -4.163 -13.358 -10.465 172 HZ1 LYS 24 HZ1 LYS 24 -4.652 -15.527 -10.803 173 HZ2 LYS 24 HZ2 LYS 24 -4.716 -15.902 -9.146 174 HZ3 LYS 24 HZ3 LYS 24 -3.216 -15.749 -9.927 175 H VAL 25 H VAL 25 -0.860 -14.083 -3.864 176 HA VAL 25 HA VAL 25 1.932 -13.628 -3.914 177 HB VAL 25 HB VAL 25 -0.088 -13.427 -1.671 178 HG11 VAL 25 HG11 VAL 25 2.082 -13.683 -0.654 179 HG12 VAL 25 HG12 VAL 25 1.690 -11.964 -0.620 180 HG13 VAL 25 HG13 VAL 25 2.818 -12.587 -1.823 181 HG21 VAL 25 HG21 VAL 25 -0.349 -11.211 -2.302 182 HG22 VAL 25 HG22 VAL 25 -0.039 -11.939 -3.878 183 HG23 VAL 25 HG23 VAL 25 1.261 -11.117 -3.016 184 H LEU 26 H LEU 26 -0.076 -15.915 -2.087 185 HA LEU 26 HA LEU 26 2.022 -17.081 -0.596 186 HB2 LEU 26 HB2 LEU 26 -0.422 -17.310 -0.091 187 HB3 LEU 26 HB3 LEU 26 -0.559 -18.396 -1.473 188 HG LEU 26 HG LEU 26 1.617 -19.064 0.418 189 HD11 LEU 26 HD11 LEU 26 -1.306 -19.324 1.188 190 HD12 LEU 26 HD12 LEU 26 -0.096 -18.345 2.017 191 HD13 LEU 26 HD13 LEU 26 0.033 -20.103 2.031 192 HD21 LEU 26 HD21 LEU 26 0.654 -20.354 -1.643 193 HD22 LEU 26 HD22 LEU 26 -0.633 -20.827 -0.535 194 HD23 LEU 26 HD23 LEU 26 1.039 -21.263 -0.182 195 H ALA 27 H ALA 27 0.696 -17.745 -3.788 196 HA ALA 27 HA ALA 27 1.959 -20.223 -4.251 197 HB1 ALA 27 HB1 ALA 27 1.717 -18.551 -6.630 198 HB2 ALA 27 HB2 ALA 27 0.243 -18.562 -5.659 199 HB3 ALA 27 HB3 ALA 27 0.926 -20.080 -6.244 200 H ASP 28 H ASP 28 3.073 -16.897 -4.659 201 HA ASP 28 HA ASP 28 5.552 -17.756 -5.916 202 HB2 ASP 28 HB2 ASP 28 4.461 -15.649 -6.597 203 HB3 ASP 28 HB3 ASP 28 4.692 -15.014 -4.970 204 H GLU 29 H GLU 29 7.002 -18.716 -4.648 205 HA GLU 29 HA GLU 29 7.229 -18.211 -1.837 206 HB2 GLU 29 HB2 GLU 29 9.028 -19.713 -3.752 207 HB3 GLU 29 HB3 GLU 29 9.215 -19.700 -1.997 208 HG2 GLU 29 HG2 GLU 29 6.910 -20.600 -1.769 209 HG3 GLU 29 HG3 GLU 29 6.786 -20.680 -3.525 210 H ARG 30 H ARG 30 8.718 -16.913 -4.700 211 HA ARG 30 HA ARG 30 11.127 -15.943 -3.715 212 HB2 ARG 30 HB2 ARG 30 9.258 -14.706 -5.746 213 HB3 ARG 30 HB3 ARG 30 10.925 -14.195 -5.480 214 HG2 ARG 30 HG2 ARG 30 11.669 -16.534 -5.968 215 HG3 ARG 30 HG3 ARG 30 10.000 -16.942 -6.367 216 HD2 ARG 30 HD2 ARG 30 11.709 -14.852 -7.744 217 HD3 ARG 30 HD3 ARG 30 11.230 -16.409 -8.413 218 HE ARG 30 HE ARG 30 8.890 -15.045 -7.696 219 HH11 ARG 30 HH11 ARG 30 11.574 -14.750 -9.861 220 HH12 ARG 30 HH12 ARG 30 10.678 -13.896 -11.073 221 HH21 ARG 30 HH21 ARG 30 7.710 -13.926 -9.281 222 HH22 ARG 30 HH22 ARG 30 8.491 -13.429 -10.745 223 H VAL 31 H VAL 31 7.897 -14.455 -3.524 224 HA VAL 31 HA VAL 31 8.931 -12.118 -2.164 225 HB VAL 31 HB VAL 31 6.548 -11.491 -1.942 226 HG11 VAL 31 HG11 VAL 31 7.719 -12.357 -4.567 227 HG12 VAL 31 HG12 VAL 31 7.411 -10.728 -3.967 228 HG13 VAL 31 HG13 VAL 31 6.071 -11.730 -4.527 229 HG21 VAL 31 HG21 VAL 31 4.820 -12.937 -2.857 230 HG22 VAL 31 HG22 VAL 31 5.724 -13.846 -1.648 231 HG23 VAL 31 HG23 VAL 31 6.027 -14.115 -3.363 232 H ASN 32 H ASN 32 7.502 -15.182 -1.291 233 HA ASN 32 HA ASN 32 6.681 -14.659 1.323 234 HB2 ASN 32 HB2 ASN 32 7.873 -17.182 0.154 235 HB3 ASN 32 HB3 ASN 32 7.063 -17.088 1.717 236 HD21 ASN 32 HD21 ASN 32 5.977 -18.771 -0.260 237 HD22 ASN 32 HD22 ASN 32 4.524 -18.104 -0.830 238 H ARG 33 H ARG 33 9.888 -15.144 0.007 239 HA ARG 33 HA ARG 33 11.339 -15.781 2.284 240 HB2 ARG 33 HB2 ARG 33 12.117 -13.996 -0.032 241 HB3 ARG 33 HB3 ARG 33 13.248 -14.637 1.160 242 HG2 ARG 33 HG2 ARG 33 12.534 -16.945 0.547 243 HG3 ARG 33 HG3 ARG 33 11.500 -16.263 -0.709 244 HD2 ARG 33 HD2 ARG 33 14.510 -15.963 -0.522 245 HD3 ARG 33 HD3 ARG 33 13.639 -16.971 -1.674 246 HE ARG 33 HE ARG 33 12.607 -14.461 -2.068 247 HH11 ARG 33 HH11 ARG 33 15.767 -15.870 -2.001 248 HH12 ARG 33 HH12 ARG 33 16.438 -14.759 -3.148 249 HH21 ARG 33 HH21 ARG 33 13.480 -13.001 -3.575 250 HH22 ARG 33 HH22 ARG 33 15.143 -13.135 -4.040 251 H PHE 34 H PHE 34 10.208 -12.619 1.164 252 HA PHE 34 HA PHE 34 11.546 -11.115 3.191 253 HB2 PHE 34 HB2 PHE 34 9.212 -10.462 1.385 254 HB3 PHE 34 HB3 PHE 34 9.946 -9.301 2.492 255 HD1 PHE 34 HD1 PHE 34 12.323 -8.621 2.208 256 HD2 PHE 34 HD2 PHE 34 10.325 -11.137 -0.642 257 HE1 PHE 34 HE1 PHE 34 14.111 -8.163 0.551 258 HE2 PHE 34 HE2 PHE 34 12.112 -10.681 -2.299 259 HZ PHE 34 HZ PHE 34 14.005 -9.193 -1.703 260 H PHE 35 H PHE 35 8.457 -12.749 2.989 261 HA PHE 35 HA PHE 35 7.469 -11.507 5.427 262 HB2 PHE 35 HB2 PHE 35 6.321 -13.649 3.628 263 HB3 PHE 35 HB3 PHE 35 5.507 -13.019 5.062 264 HD1 PHE 35 HD1 PHE 35 4.922 -10.578 5.190 265 HD2 PHE 35 HD2 PHE 35 6.378 -12.404 1.586 266 HE1 PHE 35 HE1 PHE 35 4.094 -8.645 3.876 267 HE2 PHE 35 HE2 PHE 35 5.552 -10.471 0.271 268 HZ PHE 35 HZ PHE 35 4.409 -8.591 1.417 269 H VAL 36 H VAL 36 9.814 -13.621 5.044 270 HA VAL 36 HA VAL 36 9.144 -15.919 6.503 271 HB VAL 36 HB VAL 36 11.758 -14.432 6.210 272 HG11 VAL 36 HG11 VAL 36 12.687 -16.713 6.998 273 HG12 VAL 36 HG12 VAL 36 11.078 -16.989 7.664 274 HG13 VAL 36 HG13 VAL 36 12.046 -15.628 8.231 275 HG21 VAL 36 HG21 VAL 36 10.382 -15.816 4.351 276 HG22 VAL 36 HG22 VAL 36 11.230 -17.156 5.123 277 HG23 VAL 36 HG23 VAL 36 12.144 -15.823 4.419 278 H ASN 37 H ASN 37 10.287 -12.744 7.591 279 HA ASN 37 HA ASN 37 10.187 -13.561 10.385 280 HB2 ASN 37 HB2 ASN 37 10.789 -10.886 9.103 281 HB3 ASN 37 HB3 ASN 37 10.919 -11.236 10.826 282 HD21 ASN 37 HD21 ASN 37 13.203 -10.429 9.293 283 HD22 ASN 37 HD22 ASN 37 14.276 -11.742 9.209 284 H THR 38 H THR 38 7.869 -12.931 8.252 285 HA THR 38 HA THR 38 6.190 -11.476 10.206 286 HB THR 38 HB THR 38 5.915 -11.477 7.190 287 HG1 THR 38 HG1 THR 38 7.654 -10.234 8.585 288 HG21 THR 38 HG21 THR 38 4.537 -9.330 8.266 289 HG22 THR 38 HG22 THR 38 4.218 -10.626 9.417 290 HG23 THR 38 HG23 THR 38 3.812 -10.840 7.715 291 H ASP 39 H ASP 39 4.189 -12.306 10.673 292 HA ASP 39 HA ASP 39 3.758 -15.089 9.987 293 HB2 ASP 39 HB2 ASP 39 1.915 -14.979 11.573 294 HB3 ASP 39 HB3 ASP 39 3.350 -14.236 12.278 295 H MET 40 H MET 40 1.593 -15.839 9.289 296 HA MET 40 HA MET 40 0.850 -14.684 6.829 297 HB2 MET 40 HB2 MET 40 -0.583 -16.680 8.592 298 HB3 MET 40 HB3 MET 40 -1.088 -16.266 6.952 299 HG2 MET 40 HG2 MET 40 1.174 -16.937 6.130 300 HG3 MET 40 HG3 MET 40 1.578 -17.458 7.767 301 HE1 MET 40 HE1 MET 40 2.022 -19.202 5.549 302 HE2 MET 40 HE2 MET 40 1.152 -20.724 5.716 303 HE3 MET 40 HE3 MET 40 2.041 -20.070 7.089 304 H ALA 41 H ALA 41 -0.478 -14.345 10.081 305 HA ALA 41 HA ALA 41 -2.907 -13.099 9.415 306 HB1 ALA 41 HB1 ALA 41 -1.503 -13.733 11.771 307 HB2 ALA 41 HB2 ALA 41 -3.148 -13.109 11.642 308 HB3 ALA 41 HB3 ALA 41 -1.795 -11.995 11.837 309 H LYS 42 H LYS 42 0.121 -11.541 10.508 310 HA LYS 42 HA LYS 42 -0.711 -8.905 9.930 311 HB2 LYS 42 HB2 LYS 42 2.107 -10.007 10.006 312 HB3 LYS 42 HB3 LYS 42 1.651 -8.311 10.148 313 HG2 LYS 42 HG2 LYS 42 0.736 -10.479 12.060 314 HG3 LYS 42 HG3 LYS 42 2.108 -9.414 12.358 315 HD2 LYS 42 HD2 LYS 42 0.442 -7.476 11.948 316 HD3 LYS 42 HD3 LYS 42 -0.816 -8.695 12.167 317 HE2 LYS 42 HE2 LYS 42 -0.276 -7.537 14.294 318 HE3 LYS 42 HE3 LYS 42 0.073 -9.264 14.374 319 HZ1 LYS 42 HZ1 LYS 42 2.183 -7.402 13.527 320 HZ2 LYS 42 HZ2 LYS 42 2.321 -8.910 14.297 321 HZ3 LYS 42 HZ3 LYS 42 1.822 -7.546 15.178 322 H GLN 43 H GLN 43 0.816 -11.392 7.988 323 HA GLN 43 HA GLN 43 1.751 -9.906 5.837 324 HB2 GLN 43 HB2 GLN 43 2.100 -12.344 6.138 325 HB3 GLN 43 HB3 GLN 43 0.408 -12.617 5.719 326 HG2 GLN 43 HG2 GLN 43 0.793 -11.532 3.526 327 HG3 GLN 43 HG3 GLN 43 2.493 -11.318 3.940 328 HE21 GLN 43 HE21 GLN 43 1.834 -14.157 5.407 329 HE22 GLN 43 HE22 GLN 43 2.170 -15.243 4.146 330 H LYS 44 H LYS 44 -1.527 -11.113 6.467 331 HA LYS 44 HA LYS 44 -2.667 -10.314 4.012 332 HB2 LYS 44 HB2 LYS 44 -3.910 -10.673 6.746 333 HB3 LYS 44 HB3 LYS 44 -4.832 -10.418 5.262 334 HG2 LYS 44 HG2 LYS 44 -3.721 -12.429 4.278 335 HG3 LYS 44 HG3 LYS 44 -2.935 -12.713 5.831 336 HD2 LYS 44 HD2 LYS 44 -5.172 -12.848 6.910 337 HD3 LYS 44 HD3 LYS 44 -5.924 -12.654 5.326 338 HE2 LYS 44 HE2 LYS 44 -3.941 -14.726 5.165 339 HE3 LYS 44 HE3 LYS 44 -5.008 -15.061 6.529 340 HZ1 LYS 44 HZ1 LYS 44 -5.959 -16.011 4.578 341 HZ2 LYS 44 HZ2 LYS 44 -5.807 -14.554 3.716 342 HZ3 LYS 44 HZ3 LYS 44 -6.904 -14.669 5.009 343 H GLN 45 H GLN 45 -2.194 -8.608 7.071 344 HA GLN 45 HA GLN 45 -3.760 -6.343 6.528 345 HB2 GLN 45 HB2 GLN 45 -2.751 -6.916 8.745 346 HB3 GLN 45 HB3 GLN 45 -1.183 -6.414 8.111 347 HG2 GLN 45 HG2 GLN 45 -2.182 -4.173 7.583 348 HG3 GLN 45 HG3 GLN 45 -3.660 -4.690 8.393 349 HE21 GLN 45 HE21 GLN 45 -3.752 -4.111 10.563 350 HE22 GLN 45 HE22 GLN 45 -2.403 -3.841 11.557 351 H HIS 46 H HIS 46 -0.357 -7.039 5.768 352 HA HIS 46 HA HIS 46 0.231 -4.484 4.686 353 HB2 HIS 46 HB2 HIS 46 1.977 -6.085 5.380 354 HB3 HIS 46 HB3 HIS 46 1.521 -7.145 4.046 355 HD1 HIS 46 HD1 HIS 46 2.479 -6.619 1.771 356 HD2 HIS 46 HD2 HIS 46 3.016 -3.483 4.463 357 HE1 HIS 46 HE1 HIS 46 3.953 -4.920 0.607 358 H GLN 47 H GLN 47 -0.686 -7.558 3.121 359 HA GLN 47 HA GLN 47 -0.651 -6.585 0.477 360 HB2 GLN 47 HB2 GLN 47 -2.043 -8.886 1.818 361 HB3 GLN 47 HB3 GLN 47 -2.357 -8.510 0.125 362 HG2 GLN 47 HG2 GLN 47 -0.489 -10.206 0.597 363 HG3 GLN 47 HG3 GLN 47 -0.094 -8.878 -0.489 364 HE21 GLN 47 HE21 GLN 47 1.117 -10.568 2.108 365 HE22 GLN 47 HE22 GLN 47 2.138 -9.379 2.760 366 H LYS 48 H LYS 48 -3.214 -6.651 2.922 367 HA LYS 48 HA LYS 48 -5.322 -5.787 1.262 368 HB2 LYS 48 HB2 LYS 48 -5.594 -6.718 3.565 369 HB3 LYS 48 HB3 LYS 48 -4.963 -5.203 4.209 370 HG2 LYS 48 HG2 LYS 48 -6.790 -3.976 3.059 371 HG3 LYS 48 HG3 LYS 48 -7.441 -5.513 2.488 372 HD2 LYS 48 HD2 LYS 48 -7.614 -6.250 4.887 373 HD3 LYS 48 HD3 LYS 48 -7.158 -4.614 5.367 374 HE2 LYS 48 HE2 LYS 48 -9.620 -5.467 3.828 375 HE3 LYS 48 HE3 LYS 48 -9.553 -4.679 5.405 376 HZ1 LYS 48 HZ1 LYS 48 -10.079 -3.039 3.790 377 HZ2 LYS 48 HZ2 LYS 48 -8.797 -3.516 2.783 378 HZ3 LYS 48 HZ3 LYS 48 -8.476 -2.765 4.273 379 H ASP 49 H ASP 49 -3.076 -3.955 3.329 380 HA ASP 49 HA ASP 49 -4.120 -1.395 2.717 381 HB2 ASP 49 HB2 ASP 49 -1.369 -2.252 3.640 382 HB3 ASP 49 HB3 ASP 49 -1.902 -0.575 3.542 383 H PHE 50 H PHE 50 -1.590 -3.375 1.251 384 HA PHE 50 HA PHE 50 -0.590 -1.452 -0.550 385 HB2 PHE 50 HB2 PHE 50 0.750 -3.357 -0.261 386 HB3 PHE 50 HB3 PHE 50 -0.603 -4.459 -0.504 387 HD1 PHE 50 HD1 PHE 50 0.497 -1.492 -2.530 388 HD2 PHE 50 HD2 PHE 50 -0.077 -5.747 -2.379 389 HE1 PHE 50 HE1 PHE 50 1.035 -1.651 -4.944 390 HE2 PHE 50 HE2 PHE 50 0.464 -5.904 -4.793 391 HZ PHE 50 HZ PHE 50 1.018 -3.856 -6.075 392 H MET 51 H MET 51 -3.116 -3.927 -0.929 393 HA MET 51 HA MET 51 -3.699 -3.423 -3.636 394 HB2 MET 51 HB2 MET 51 -4.477 -5.415 -2.370 395 HB3 MET 51 HB3 MET 51 -5.600 -4.381 -1.483 396 HG2 MET 51 HG2 MET 51 -6.638 -3.709 -3.640 397 HG3 MET 51 HG3 MET 51 -5.565 -4.825 -4.482 398 HE1 MET 51 HE1 MET 51 -9.042 -5.254 -4.596 399 HE2 MET 51 HE2 MET 51 -8.498 -6.868 -5.046 400 HE3 MET 51 HE3 MET 51 -7.551 -5.462 -5.526 401 H THR 52 H THR 52 -4.924 -1.957 -0.659 402 HA THR 52 HA THR 52 -6.995 -0.425 -1.812 403 HB THR 52 HB THR 52 -5.327 0.241 0.624 404 HG1 THR 52 HG1 THR 52 -7.809 -1.096 0.544 405 HG21 THR 52 HG21 THR 52 -7.548 1.529 -0.702 406 HG22 THR 52 HG22 THR 52 -6.635 2.067 0.708 407 HG23 THR 52 HG23 THR 52 -8.025 1.001 0.912 408 H TYR 53 H TYR 53 -3.555 0.212 -1.339 409 HA TYR 53 HA TYR 53 -3.501 2.933 -1.988 410 HB2 TYR 53 HB2 TYR 53 -1.586 1.654 -1.052 411 HB3 TYR 53 HB3 TYR 53 -1.384 0.862 -2.615 412 HD1 TYR 53 HD1 TYR 53 -1.213 4.099 -0.823 413 HD2 TYR 53 HD2 TYR 53 -0.429 2.023 -4.501 414 HE1 TYR 53 HE1 TYR 53 0.121 6.029 -1.627 415 HE2 TYR 53 HE2 TYR 53 0.904 3.954 -5.306 416 HH TYR 53 HH TYR 53 0.949 6.991 -3.609 417 H ALA 54 H ALA 54 -3.495 0.075 -4.064 418 HA ALA 54 HA ALA 54 -2.860 1.301 -6.501 419 HB1 ALA 54 HB1 ALA 54 -4.276 -0.624 -7.469 420 HB2 ALA 54 HB2 ALA 54 -4.480 -1.135 -5.793 421 HB3 ALA 54 HB3 ALA 54 -2.866 -1.051 -6.499 422 H PHE 55 H PHE 55 -5.899 1.130 -4.735 423 HA PHE 55 HA PHE 55 -7.473 2.168 -6.914 424 HB2 PHE 55 HB2 PHE 55 -8.031 1.680 -3.993 425 HB3 PHE 55 HB3 PHE 55 -9.208 2.452 -5.058 426 HD1 PHE 55 HD1 PHE 55 -10.081 1.239 -7.055 427 HD2 PHE 55 HD2 PHE 55 -7.569 -0.679 -4.146 428 HE1 PHE 55 HE1 PHE 55 -10.765 -0.979 -7.927 429 HE2 PHE 55 HE2 PHE 55 -8.255 -2.897 -5.020 430 HZ PHE 55 HZ PHE 55 -9.850 -3.047 -6.910 431 H GLY 56 H GLY 56 -5.197 3.574 -4.982 432 HA2 GLY 56 HA2 GLY 56 -4.612 5.866 -5.145 433 HA3 GLY 56 HA3 GLY 56 -6.288 6.242 -5.530 434 H GLY 57 H GLY 57 -6.153 4.077 -2.969 435 HA2 GLY 57 HA2 GLY 57 -7.236 5.899 -1.094 436 HA3 GLY 57 HA3 GLY 57 -6.644 4.281 -0.726 437 H THR 58 H THR 58 -5.372 7.514 -1.570 438 HA THR 58 HA THR 58 -2.811 7.095 -0.437 439 HB THR 58 HB THR 58 -2.535 9.511 -0.646 440 HG1 THR 58 HG1 THR 58 -5.249 9.635 -1.404 441 HG21 THR 58 HG21 THR 58 -3.761 9.572 -3.091 442 HG22 THR 58 HG22 THR 58 -3.679 7.837 -2.788 443 HG23 THR 58 HG23 THR 58 -2.205 8.804 -2.779 444 H ASP 59 H ASP 59 -5.844 8.295 0.896 445 HA ASP 59 HA ASP 59 -6.341 9.116 3.019 446 HB2 ASP 59 HB2 ASP 59 -4.786 6.580 3.567 447 HB3 ASP 59 HB3 ASP 59 -5.769 7.419 4.765 448 H ARG 60 H ARG 60 -3.793 7.730 4.735 449 HA ARG 60 HA ARG 60 -2.502 10.372 5.029 450 HB2 ARG 60 HB2 ARG 60 -2.646 8.046 6.961 451 HB3 ARG 60 HB3 ARG 60 -1.779 9.554 7.254 452 HG2 ARG 60 HG2 ARG 60 -3.913 10.805 6.952 453 HG3 ARG 60 HG3 ARG 60 -4.759 9.268 6.772 454 HD2 ARG 60 HD2 ARG 60 -5.004 9.933 9.068 455 HD3 ARG 60 HD3 ARG 60 -3.849 8.605 9.036 456 HE ARG 60 HE ARG 60 -2.288 10.073 9.896 457 HH11 ARG 60 HH11 ARG 60 -4.767 11.817 8.221 458 HH12 ARG 60 HH12 ARG 60 -4.142 13.377 8.640 459 HH21 ARG 60 HH21 ARG 60 -1.468 12.115 10.450 460 HH22 ARG 60 HH22 ARG 60 -2.276 13.545 9.902 461 H PHE 61 H PHE 61 -1.984 7.844 3.217 462 HA PHE 61 HA PHE 61 0.550 6.838 3.924 463 HB2 PHE 61 HB2 PHE 61 -1.000 6.915 1.357 464 HB3 PHE 61 HB3 PHE 61 0.673 6.363 1.366 465 HD1 PHE 61 HD1 PHE 61 -2.306 5.960 3.626 466 HD2 PHE 61 HD2 PHE 61 0.883 4.054 1.468 467 HE1 PHE 61 HE1 PHE 61 -3.041 3.754 4.488 468 HE2 PHE 61 HE2 PHE 61 0.146 1.847 2.331 469 HZ PHE 61 HZ PHE 61 -1.816 1.698 3.840 470 HA PRO 62 HA PRO 62 2.117 10.341 0.750 471 HB2 PRO 62 HB2 PRO 62 0.555 12.477 2.144 472 HB3 PRO 62 HB3 PRO 62 1.050 12.366 0.444 473 HG2 PRO 62 HG2 PRO 62 -1.451 11.863 1.200 474 HG3 PRO 62 HG3 PRO 62 -0.671 10.958 -0.108 475 HD2 PRO 62 HD2 PRO 62 -1.319 10.081 2.655 476 HD3 PRO 62 HD3 PRO 62 -1.176 9.123 1.170 477 H GLY 63 H GLY 63 1.473 10.181 4.134 478 HA2 GLY 63 HA2 GLY 63 3.205 12.083 5.210 479 HA3 GLY 63 HA3 GLY 63 2.813 10.544 5.974 480 H ARG 64 H ARG 64 5.346 11.716 6.213 481 HA ARG 64 HA ARG 64 7.056 10.136 4.403 482 HB2 ARG 64 HB2 ARG 64 7.714 12.417 6.282 483 HB3 ARG 64 HB3 ARG 64 8.897 11.552 5.302 484 HG2 ARG 64 HG2 ARG 64 7.630 12.195 3.257 485 HG3 ARG 64 HG3 ARG 64 6.525 13.131 4.265 486 HD2 ARG 64 HD2 ARG 64 8.179 14.657 3.397 487 HD3 ARG 64 HD3 ARG 64 8.517 14.422 5.110 488 HE ARG 64 HE ARG 64 9.981 12.567 3.495 489 HH11 ARG 64 HH11 ARG 64 9.821 15.851 4.574 490 HH12 ARG 64 HH12 ARG 64 11.526 16.127 4.430 491 HH21 ARG 64 HH21 ARG 64 12.216 12.919 3.304 492 HH22 ARG 64 HH22 ARG 64 12.882 14.466 3.711 493 H SER 65 H SER 65 8.027 8.355 5.106 494 HA SER 65 HA SER 65 9.419 7.728 7.279 495 HB2 SER 65 HB2 SER 65 7.529 6.586 8.749 496 HB3 SER 65 HB3 SER 65 7.972 8.273 8.989 497 HG SER 65 HG SER 65 6.183 8.130 7.023 498 H MET 66 H MET 66 7.315 6.865 4.826 499 HA MET 66 HA MET 66 6.939 4.113 5.165 500 HB2 MET 66 HB2 MET 66 7.340 5.689 2.613 501 HB3 MET 66 HB3 MET 66 6.712 4.045 2.699 502 HG2 MET 66 HG2 MET 66 5.457 6.451 4.052 503 HG3 MET 66 HG3 MET 66 4.892 5.733 2.545 504 HE1 MET 66 HE1 MET 66 3.230 4.894 6.424 505 HE2 MET 66 HE2 MET 66 3.154 6.187 5.232 506 HE3 MET 66 HE3 MET 66 4.624 5.952 6.173 507 H ARG 67 H ARG 67 9.709 5.922 3.910 508 HA ARG 67 HA ARG 67 11.168 3.773 2.840 509 HB2 ARG 67 HB2 ARG 67 12.156 6.322 4.145 510 HB3 ARG 67 HB3 ARG 67 13.160 5.222 3.201 511 HG2 ARG 67 HG2 ARG 67 11.632 5.544 1.258 512 HG3 ARG 67 HG3 ARG 67 10.719 6.721 2.205 513 HD2 ARG 67 HD2 ARG 67 12.869 8.013 2.502 514 HD3 ARG 67 HD3 ARG 67 13.618 6.914 1.348 515 HE ARG 67 HE ARG 67 11.353 7.857 0.081 516 HH11 ARG 67 HH11 ARG 67 14.176 9.196 1.568 517 HH12 ARG 67 HH12 ARG 67 14.230 10.584 0.534 518 HH21 ARG 67 HH21 ARG 67 11.417 9.675 -1.278 519 HH22 ARG 67 HH22 ARG 67 12.668 10.856 -1.077 520 H ALA 68 H ALA 68 10.971 5.052 6.131 521 HA ALA 68 HA ALA 68 13.017 3.456 7.259 522 HB1 ALA 68 HB1 ALA 68 11.260 5.437 8.159 523 HB2 ALA 68 HB2 ALA 68 12.514 4.632 9.100 524 HB3 ALA 68 HB3 ALA 68 10.864 4.009 9.115 525 H ALA 69 H ALA 69 9.579 2.912 6.712 526 HA ALA 69 HA ALA 69 9.309 0.564 8.261 527 HB1 ALA 69 HB1 ALA 69 7.393 0.131 6.546 528 HB2 ALA 69 HB2 ALA 69 7.795 1.743 5.950 529 HB3 ALA 69 HB3 ALA 69 7.279 1.524 7.622 530 H HIS 70 H HIS 70 10.347 1.117 4.933 531 HA HIS 70 HA HIS 70 10.637 -1.765 4.490 532 HB2 HIS 70 HB2 HIS 70 11.062 0.588 2.633 533 HB3 HIS 70 HB3 HIS 70 11.188 -1.110 2.171 534 HD1 HIS 70 HD1 HIS 70 8.718 1.572 2.929 535 HD2 HIS 70 HD2 HIS 70 8.670 -2.533 2.198 536 HE1 HIS 70 HE1 HIS 70 6.299 0.946 2.515 537 H GLN 71 H GLN 71 12.464 0.877 5.567 538 HA GLN 71 HA GLN 71 15.014 0.344 4.522 539 HB2 GLN 71 HB2 GLN 71 14.400 2.385 5.802 540 HB3 GLN 71 HB3 GLN 71 14.353 1.416 7.274 541 HG2 GLN 71 HG2 GLN 71 16.713 0.818 6.977 542 HG3 GLN 71 HG3 GLN 71 16.769 1.729 5.468 543 HE21 GLN 71 HE21 GLN 71 18.581 2.589 7.309 544 HE22 GLN 71 HE22 GLN 71 18.072 4.024 8.059 545 H ASP 72 H ASP 72 13.300 -1.040 7.289 546 HA ASP 72 HA ASP 72 15.416 -2.436 8.471 547 HB2 ASP 72 HB2 ASP 72 12.477 -3.122 8.289 548 HB3 ASP 72 HB3 ASP 72 13.626 -3.984 9.311 549 H LEU 73 H LEU 73 13.279 -3.341 5.794 550 HA LEU 73 HA LEU 73 14.207 -5.998 5.498 551 HB2 LEU 73 HB2 LEU 73 13.070 -4.145 3.390 552 HB3 LEU 73 HB3 LEU 73 13.176 -5.902 3.282 553 HG LEU 73 HG LEU 73 11.588 -4.343 5.343 554 HD11 LEU 73 HD11 LEU 73 10.099 -6.204 3.713 555 HD12 LEU 73 HD12 LEU 73 10.976 -5.075 2.681 556 HD13 LEU 73 HD13 LEU 73 9.861 -4.467 3.904 557 HD21 LEU 73 HD21 LEU 73 10.700 -6.844 5.609 558 HD22 LEU 73 HD22 LEU 73 12.117 -6.283 6.498 559 HD23 LEU 73 HD23 LEU 73 12.318 -7.230 5.023 560 H VAL 74 H VAL 74 15.277 -2.919 4.134 561 HA VAL 74 HA VAL 74 17.137 -3.966 2.280 562 HB VAL 74 HB VAL 74 17.031 -1.304 3.711 563 HG11 VAL 74 HG11 VAL 74 18.495 -0.717 1.600 564 HG12 VAL 74 HG12 VAL 74 18.912 -2.430 1.659 565 HG13 VAL 74 HG13 VAL 74 19.262 -1.389 3.038 566 HG21 VAL 74 HG21 VAL 74 16.142 -2.308 0.995 567 HG22 VAL 74 HG22 VAL 74 16.284 -0.594 1.381 568 HG23 VAL 74 HG23 VAL 74 15.138 -1.605 2.262 569 H GLU 75 H GLU 75 17.454 -2.978 5.671 570 HA GLU 75 HA GLU 75 20.253 -3.281 5.863 571 HB2 GLU 75 HB2 GLU 75 18.102 -3.525 7.978 572 HB3 GLU 75 HB3 GLU 75 19.832 -3.438 8.314 573 HG2 GLU 75 HG2 GLU 75 19.928 -1.253 7.133 574 HG3 GLU 75 HG3 GLU 75 18.185 -1.333 6.882 575 H ASN 76 H ASN 76 17.594 -5.573 6.199 576 HA ASN 76 HA ASN 76 19.427 -7.705 6.997 577 HB2 ASN 76 HB2 ASN 76 16.433 -7.700 6.553 578 HB3 ASN 76 HB3 ASN 76 17.366 -9.074 7.143 579 HD21 ASN 76 HD21 ASN 76 15.291 -7.854 8.722 580 HD22 ASN 76 HD22 ASN 76 16.020 -7.129 10.073 581 H ALA 77 H ALA 77 16.905 -7.359 4.487 582 HA ALA 77 HA ALA 77 18.520 -9.131 2.758 583 HB1 ALA 77 HB1 ALA 77 16.367 -10.102 3.235 584 HB2 ALA 77 HB2 ALA 77 16.350 -9.539 1.564 585 HB3 ALA 77 HB3 ALA 77 15.543 -8.599 2.819 586 H GLY 78 H GLY 78 18.815 -8.592 0.575 587 HA2 GLY 78 HA2 GLY 78 18.853 -5.740 0.041 588 HA3 GLY 78 HA3 GLY 78 19.493 -7.011 -1.000 589 H LEU 79 H LEU 79 16.961 -4.825 -0.523 590 HA LEU 79 HA LEU 79 15.125 -6.305 -2.282 591 HB2 LEU 79 HB2 LEU 79 14.236 -5.337 -0.161 592 HB3 LEU 79 HB3 LEU 79 14.651 -3.732 -0.761 593 HG LEU 79 HG LEU 79 13.212 -4.188 -2.776 594 HD11 LEU 79 HD11 LEU 79 11.454 -6.079 -2.161 595 HD12 LEU 79 HD12 LEU 79 12.812 -6.735 -1.247 596 HD13 LEU 79 HD13 LEU 79 12.958 -6.485 -2.987 597 HD21 LEU 79 HD21 LEU 79 12.469 -3.007 -0.612 598 HD22 LEU 79 HD22 LEU 79 11.642 -4.513 -0.214 599 HD23 LEU 79 HD23 LEU 79 11.189 -3.615 -1.663 600 H THR 80 H THR 80 14.884 -5.775 -4.357 601 HA THR 80 HA THR 80 15.945 -3.168 -5.263 602 HB THR 80 HB THR 80 16.667 -4.236 -7.331 603 HG1 THR 80 HG1 THR 80 16.530 -6.547 -7.419 604 HG21 THR 80 HG21 THR 80 18.135 -6.126 -5.994 605 HG22 THR 80 HG22 THR 80 17.638 -5.065 -4.676 606 HG23 THR 80 HG23 THR 80 18.531 -4.409 -6.048 607 H ASP 81 H ASP 81 15.014 -2.493 -7.397 608 HA ASP 81 HA ASP 81 12.253 -2.193 -7.243 609 HB2 ASP 81 HB2 ASP 81 14.107 -1.972 -9.618 610 HB3 ASP 81 HB3 ASP 81 12.418 -1.469 -9.642 611 H VAL 82 H VAL 82 14.146 -4.671 -8.895 612 HA VAL 82 HA VAL 82 12.275 -5.759 -10.600 613 HB VAL 82 HB VAL 82 14.724 -6.480 -10.109 614 HG11 VAL 82 HG11 VAL 82 15.043 -8.257 -8.579 615 HG12 VAL 82 HG12 VAL 82 13.311 -8.547 -8.421 616 HG13 VAL 82 HG13 VAL 82 14.034 -7.111 -7.701 617 HG21 VAL 82 HG21 VAL 82 13.359 -7.460 -11.883 618 HG22 VAL 82 HG22 VAL 82 12.514 -8.472 -10.711 619 HG23 VAL 82 HG23 VAL 82 14.224 -8.745 -11.040 620 H HIS 83 H HIS 83 12.576 -6.261 -7.102 621 HA HIS 83 HA HIS 83 10.635 -8.282 -6.838 622 HB2 HIS 83 HB2 HIS 83 11.511 -6.126 -4.905 623 HB3 HIS 83 HB3 HIS 83 10.466 -7.478 -4.470 624 HD2 HIS 83 HD2 HIS 83 11.770 -10.039 -4.475 625 HE1 HIS 83 HE1 HIS 83 15.671 -8.485 -4.906 626 HE2 HIS 83 HE2 HIS 83 14.323 -10.578 -4.400 627 H PHE 84 H PHE 84 10.363 -4.749 -6.769 628 HA PHE 84 HA PHE 84 7.644 -4.559 -6.098 629 HB2 PHE 84 HB2 PHE 84 9.232 -2.646 -6.145 630 HB3 PHE 84 HB3 PHE 84 9.230 -2.720 -7.907 631 HD1 PHE 84 HD1 PHE 84 7.171 -2.028 -4.910 632 HD2 PHE 84 HD2 PHE 84 7.346 -1.947 -9.201 633 HE1 PHE 84 HE1 PHE 84 5.106 -0.659 -4.970 634 HE2 PHE 84 HE2 PHE 84 5.280 -0.576 -9.259 635 HZ PHE 84 HZ PHE 84 4.160 0.068 -7.143 636 H ASP 85 H ASP 85 9.240 -4.825 -9.255 637 HA ASP 85 HA ASP 85 6.902 -4.611 -10.830 638 HB2 ASP 85 HB2 ASP 85 9.241 -4.367 -11.676 639 HB3 ASP 85 HB3 ASP 85 9.439 -6.111 -11.506 640 H ALA 86 H ALA 86 8.481 -7.357 -9.277 641 HA ALA 86 HA ALA 86 7.100 -9.424 -10.592 642 HB1 ALA 86 HB1 ALA 86 8.106 -10.827 -9.092 643 HB2 ALA 86 HB2 ALA 86 7.777 -9.770 -7.718 644 HB3 ALA 86 HB3 ALA 86 9.102 -9.396 -8.822 645 H ILE 87 H ILE 87 6.428 -8.106 -7.325 646 HA ILE 87 HA ILE 87 3.979 -9.467 -7.019 647 HB ILE 87 HB ILE 87 5.384 -8.316 -5.213 648 HG12 ILE 87 HG12 ILE 87 2.431 -7.641 -5.180 649 HG13 ILE 87 HG13 ILE 87 3.037 -9.282 -4.956 650 HG21 ILE 87 HG21 ILE 87 3.695 -5.903 -5.605 651 HG22 ILE 87 HG22 ILE 87 5.057 -6.092 -6.708 652 HG23 ILE 87 HG23 ILE 87 5.334 -6.039 -4.970 653 HD11 ILE 87 HD11 ILE 87 2.635 -7.612 -2.888 654 HD12 ILE 87 HD12 ILE 87 4.288 -7.153 -3.293 655 HD13 ILE 87 HD13 ILE 87 3.914 -8.826 -2.882 656 H ALA 88 H ALA 88 4.818 -6.526 -8.671 657 HA ALA 88 HA ALA 88 2.262 -5.322 -8.781 658 HB1 ALA 88 HB1 ALA 88 3.159 -4.020 -10.632 659 HB2 ALA 88 HB2 ALA 88 4.493 -5.158 -10.819 660 HB3 ALA 88 HB3 ALA 88 4.379 -4.165 -9.366 661 H GLU 89 H GLU 89 3.872 -7.689 -10.873 662 HA GLU 89 HA GLU 89 1.902 -7.735 -12.904 663 HB2 GLU 89 HB2 GLU 89 3.905 -9.820 -12.017 664 HB3 GLU 89 HB3 GLU 89 2.891 -9.983 -13.451 665 HG2 GLU 89 HG2 GLU 89 4.804 -7.687 -12.940 666 HG3 GLU 89 HG3 GLU 89 5.146 -9.066 -13.982 667 H ASN 90 H ASN 90 2.219 -9.455 -9.844 668 HA ASN 90 HA ASN 90 0.283 -11.436 -10.218 669 HB2 ASN 90 HB2 ASN 90 1.028 -9.928 -7.703 670 HB3 ASN 90 HB3 ASN 90 0.056 -11.398 -7.739 671 HD21 ASN 90 HD21 ASN 90 2.580 -11.314 -6.380 672 HD22 ASN 90 HD22 ASN 90 3.664 -12.319 -7.213 673 H LEU 91 H LEU 91 -0.053 -8.056 -9.223 674 HA LEU 91 HA LEU 91 -2.810 -8.148 -8.590 675 HB2 LEU 91 HB2 LEU 91 -1.269 -6.292 -7.951 676 HB3 LEU 91 HB3 LEU 91 -1.229 -5.792 -9.642 677 HG LEU 91 HG LEU 91 -3.725 -5.568 -9.581 678 HD11 LEU 91 HD11 LEU 91 -3.243 -6.675 -6.893 679 HD12 LEU 91 HD12 LEU 91 -4.707 -6.701 -7.875 680 HD13 LEU 91 HD13 LEU 91 -4.317 -5.276 -6.912 681 HD21 LEU 91 HD21 LEU 91 -1.841 -3.956 -7.917 682 HD22 LEU 91 HD22 LEU 91 -3.562 -3.609 -7.756 683 HD23 LEU 91 HD23 LEU 91 -2.780 -3.477 -9.331 684 H VAL 92 H VAL 92 -1.065 -7.574 -11.606 685 HA VAL 92 HA VAL 92 -3.255 -6.747 -13.177 686 HB VAL 92 HB VAL 92 -0.700 -8.181 -13.934 687 HG11 VAL 92 HG11 VAL 92 -3.082 -7.454 -15.494 688 HG12 VAL 92 HG12 VAL 92 -1.749 -8.529 -15.915 689 HG13 VAL 92 HG13 VAL 92 -1.586 -6.788 -16.149 690 HG21 VAL 92 HG21 VAL 92 -0.595 -5.861 -12.895 691 HG22 VAL 92 HG22 VAL 92 -1.503 -5.281 -14.290 692 HG23 VAL 92 HG23 VAL 92 0.098 -5.987 -14.512 693 H LEU 93 H LEU 93 -1.905 -9.965 -12.527 694 HA LEU 93 HA LEU 93 -3.577 -11.415 -14.274 695 HB2 LEU 93 HB2 LEU 93 -2.354 -12.329 -11.659 696 HB3 LEU 93 HB3 LEU 93 -2.947 -13.372 -12.951 697 HG LEU 93 HG LEU 93 -0.667 -11.384 -13.175 698 HD11 LEU 93 HD11 LEU 93 0.255 -13.906 -13.830 699 HD12 LEU 93 HD12 LEU 93 -0.850 -14.234 -12.494 700 HD13 LEU 93 HD13 LEU 93 0.492 -13.110 -12.274 701 HD21 LEU 93 HD21 LEU 93 -0.455 -12.826 -15.402 702 HD22 LEU 93 HD22 LEU 93 -1.510 -11.414 -15.338 703 HD23 LEU 93 HD23 LEU 93 -2.190 -13.031 -15.161 704 H THR 94 H THR 94 -4.009 -10.323 -10.947 705 HA THR 94 HA THR 94 -6.297 -11.810 -10.293 706 HB THR 94 HB THR 94 -5.629 -8.995 -9.402 707 HG1 THR 94 HG1 THR 94 -4.417 -11.377 -8.999 708 HG21 THR 94 HG21 THR 94 -7.389 -11.196 -8.309 709 HG22 THR 94 HG22 THR 94 -7.849 -9.545 -8.725 710 HG23 THR 94 HG23 THR 94 -6.831 -9.849 -7.317 711 H LEU 95 H LEU 95 -5.966 -8.660 -11.897 712 HA LEU 95 HA LEU 95 -8.733 -8.093 -12.074 713 HB2 LEU 95 HB2 LEU 95 -6.497 -7.191 -13.908 714 HB3 LEU 95 HB3 LEU 95 -8.087 -6.444 -13.763 715 HG LEU 95 HG LEU 95 -6.014 -6.663 -11.559 716 HD11 LEU 95 HD11 LEU 95 -6.994 -4.405 -13.311 717 HD12 LEU 95 HD12 LEU 95 -5.334 -4.935 -13.038 718 HD13 LEU 95 HD13 LEU 95 -6.215 -4.103 -11.757 719 HD21 LEU 95 HD21 LEU 95 -8.009 -6.709 -10.369 720 HD22 LEU 95 HD22 LEU 95 -8.896 -5.838 -11.620 721 HD23 LEU 95 HD23 LEU 95 -7.794 -4.969 -10.551 722 H GLN 96 H GLN 96 -6.519 -9.893 -14.143 723 HA GLN 96 HA GLN 96 -8.178 -10.167 -16.400 724 HB2 GLN 96 HB2 GLN 96 -6.069 -12.033 -15.286 725 HB3 GLN 96 HB3 GLN 96 -6.800 -12.189 -16.884 726 HG2 GLN 96 HG2 GLN 96 -5.984 -9.962 -17.502 727 HG3 GLN 96 HG3 GLN 96 -5.300 -9.747 -15.892 728 HE21 GLN 96 HE21 GLN 96 -3.617 -9.626 -18.180 729 HE22 GLN 96 HE22 GLN 96 -2.598 -10.983 -18.180 730 H GLU 97 H GLU 97 -7.990 -11.977 -13.381 731 HA GLU 97 HA GLU 97 -9.681 -14.123 -14.111 732 HB2 GLU 97 HB2 GLU 97 -9.121 -12.885 -11.404 733 HB3 GLU 97 HB3 GLU 97 -9.971 -14.411 -11.652 734 HG2 GLU 97 HG2 GLU 97 -7.983 -15.293 -12.859 735 HG3 GLU 97 HG3 GLU 97 -7.132 -13.789 -12.512 736 H LEU 98 H LEU 98 -10.304 -10.862 -13.005 737 HA LEU 98 HA LEU 98 -13.126 -11.341 -12.543 738 HB2 LEU 98 HB2 LEU 98 -11.616 -8.721 -12.688 739 HB3 LEU 98 HB3 LEU 98 -13.233 -8.967 -12.029 740 HG LEU 98 HG LEU 98 -10.661 -10.168 -10.959 741 HD11 LEU 98 HD11 LEU 98 -10.583 -8.138 -9.939 742 HD12 LEU 98 HD12 LEU 98 -11.885 -8.773 -8.933 743 HD13 LEU 98 HD13 LEU 98 -12.262 -7.772 -10.336 744 HD21 LEU 98 HD21 LEU 98 -12.223 -11.814 -10.447 745 HD22 LEU 98 HD22 LEU 98 -13.565 -10.671 -10.397 746 HD23 LEU 98 HD23 LEU 98 -12.420 -10.745 -9.058 747 H ASN 99 H ASN 99 -11.378 -11.222 -15.277 748 HA ASN 99 HA ASN 99 -11.890 -10.862 -17.487 749 HB2 ASN 99 HB2 ASN 99 -14.034 -12.019 -16.665 750 HB3 ASN 99 HB3 ASN 99 -14.745 -10.406 -16.644 751 HD21 ASN 99 HD21 ASN 99 -16.031 -11.903 -18.417 752 HD22 ASN 99 HD22 ASN 99 -15.502 -11.650 -20.011 753 H VAL 100 H VAL 100 -10.797 -8.719 -16.315 754 HA VAL 100 HA VAL 100 -12.483 -6.398 -16.970 755 HB VAL 100 HB VAL 100 -9.803 -6.508 -15.565 756 HG11 VAL 100 HG11 VAL 100 -11.425 -4.194 -15.019 757 HG12 VAL 100 HG12 VAL 100 -11.228 -4.366 -16.763 758 HG13 VAL 100 HG13 VAL 100 -9.809 -4.264 -15.721 759 HG21 VAL 100 HG21 VAL 100 -10.905 -6.738 -13.582 760 HG22 VAL 100 HG22 VAL 100 -12.188 -7.424 -14.581 761 HG23 VAL 100 HG23 VAL 100 -12.252 -5.726 -14.105 762 H SER 101 H SER 101 -11.999 -5.017 -18.608 763 HA SER 101 HA SER 101 -10.456 -5.897 -20.779 764 HB2 SER 101 HB2 SER 101 -12.294 -4.242 -20.950 765 HB3 SER 101 HB3 SER 101 -11.281 -3.059 -20.128 766 HG SER 101 HG SER 101 -10.688 -2.652 -22.121 767 H GLN 102 H GLN 102 -8.431 -5.384 -21.525 768 HA GLN 102 HA GLN 102 -6.375 -4.980 -19.671 769 HB2 GLN 102 HB2 GLN 102 -6.151 -6.011 -21.958 770 HB3 GLN 102 HB3 GLN 102 -6.225 -4.382 -22.631 771 HG2 GLN 102 HG2 GLN 102 -3.910 -4.805 -22.412 772 HG3 GLN 102 HG3 GLN 102 -4.302 -3.824 -21.002 773 HE21 GLN 102 HE21 GLN 102 -5.770 -6.589 -20.165 774 HE22 GLN 102 HE22 GLN 102 -4.492 -7.415 -19.413 775 H ASP 103 H ASP 103 -8.125 -2.684 -21.703 776 HA ASP 103 HA ASP 103 -6.474 -0.453 -21.440 777 HB2 ASP 103 HB2 ASP 103 -9.489 -0.633 -21.606 778 HB3 ASP 103 HB3 ASP 103 -8.584 0.873 -21.745 779 H LEU 104 H LEU 104 -9.017 -1.651 -19.268 780 HA LEU 104 HA LEU 104 -8.865 0.505 -17.422 781 HB2 LEU 104 HB2 LEU 104 -9.768 -2.351 -16.972 782 HB3 LEU 104 HB3 LEU 104 -10.095 -0.986 -15.904 783 HG LEU 104 HG LEU 104 -11.001 -1.229 -18.789 784 HD11 LEU 104 HD11 LEU 104 -12.476 -2.610 -17.649 785 HD12 LEU 104 HD12 LEU 104 -13.274 -1.053 -17.428 786 HD13 LEU 104 HD13 LEU 104 -12.289 -1.731 -16.131 787 HD21 LEU 104 HD21 LEU 104 -12.432 0.806 -17.850 788 HD22 LEU 104 HD22 LEU 104 -10.815 1.067 -18.504 789 HD23 LEU 104 HD23 LEU 104 -11.055 0.974 -16.760 790 H ILE 105 H ILE 105 -7.201 -2.593 -17.690 791 HA ILE 105 HA ILE 105 -5.925 -2.571 -15.173 792 HB ILE 105 HB ILE 105 -4.986 -3.798 -17.778 793 HG12 ILE 105 HG12 ILE 105 -6.552 -5.009 -15.477 794 HG13 ILE 105 HG13 ILE 105 -7.269 -4.496 -17.005 795 HG21 ILE 105 HG21 ILE 105 -3.153 -3.727 -16.222 796 HG22 ILE 105 HG22 ILE 105 -3.806 -5.364 -16.162 797 HG23 ILE 105 HG23 ILE 105 -4.192 -4.213 -14.884 798 HD11 ILE 105 HD11 ILE 105 -5.971 -6.976 -16.404 799 HD12 ILE 105 HD12 ILE 105 -5.008 -6.127 -17.613 800 HD13 ILE 105 HD13 ILE 105 -6.709 -6.470 -17.925 801 H ASP 106 H ASP 106 -5.033 -1.193 -18.303 802 HA ASP 106 HA ASP 106 -2.393 -0.459 -17.730 803 HB2 ASP 106 HB2 ASP 106 -4.456 0.861 -19.503 804 HB3 ASP 106 HB3 ASP 106 -2.751 1.308 -19.477 805 H GLU 107 H GLU 107 -5.447 1.199 -17.053 806 HA GLU 107 HA GLU 107 -4.336 3.631 -16.132 807 HB2 GLU 107 HB2 GLU 107 -6.945 2.264 -15.427 808 HB3 GLU 107 HB3 GLU 107 -6.535 3.923 -14.987 809 HG2 GLU 107 HG2 GLU 107 -6.629 2.852 -17.823 810 HG3 GLU 107 HG3 GLU 107 -7.895 3.818 -17.066 811 H VAL 108 H VAL 108 -5.014 0.561 -14.543 812 HA VAL 108 HA VAL 108 -4.598 1.418 -11.876 813 HB VAL 108 HB VAL 108 -4.289 -1.299 -13.171 814 HG11 VAL 108 HG11 VAL 108 -4.019 -0.364 -10.323 815 HG12 VAL 108 HG12 VAL 108 -3.014 -1.508 -11.213 816 HG13 VAL 108 HG13 VAL 108 -4.623 -1.984 -10.669 817 HG21 VAL 108 HG21 VAL 108 -6.468 -0.163 -11.394 818 HG22 VAL 108 HG22 VAL 108 -6.483 -1.721 -12.220 819 HG23 VAL 108 HG23 VAL 108 -6.566 -0.227 -13.154 820 H VAL 109 H VAL 109 -2.416 0.155 -14.358 821 HA VAL 109 HA VAL 109 -0.124 -0.154 -12.761 822 HB VAL 109 HB VAL 109 -0.422 0.483 -15.702 823 HG11 VAL 109 HG11 VAL 109 1.779 1.158 -15.269 824 HG12 VAL 109 HG12 VAL 109 1.987 -0.549 -15.660 825 HG13 VAL 109 HG13 VAL 109 1.991 -0.023 -13.977 826 HG21 VAL 109 HG21 VAL 109 -1.220 -1.746 -14.523 827 HG22 VAL 109 HG22 VAL 109 0.504 -2.117 -14.520 828 HG23 VAL 109 HG23 VAL 109 -0.332 -1.821 -16.044 829 H THR 110 H THR 110 -1.366 2.647 -14.546 830 HA THR 110 HA THR 110 0.832 4.357 -14.169 831 HB THR 110 HB THR 110 -2.088 5.133 -14.335 832 HG1 THR 110 HG1 THR 110 -0.411 3.968 -16.096 833 HG21 THR 110 HG21 THR 110 -1.353 7.257 -14.364 834 HG22 THR 110 HG22 THR 110 -0.197 6.876 -15.640 835 HG23 THR 110 HG23 THR 110 0.254 6.660 -13.949 836 H ILE 111 H ILE 111 -2.020 3.757 -12.143 837 HA ILE 111 HA ILE 111 -1.599 5.775 -10.243 838 HB ILE 111 HB ILE 111 -2.798 3.023 -9.848 839 HG12 ILE 111 HG12 ILE 111 -4.121 5.690 -10.434 840 HG13 ILE 111 HG13 ILE 111 -3.837 4.438 -11.643 841 HG21 ILE 111 HG21 ILE 111 -4.040 4.828 -8.148 842 HG22 ILE 111 HG22 ILE 111 -2.344 5.305 -8.066 843 HG23 ILE 111 HG23 ILE 111 -2.815 3.653 -7.673 844 HD11 ILE 111 HD11 ILE 111 -5.629 4.310 -9.215 845 HD12 ILE 111 HD12 ILE 111 -5.111 2.857 -10.069 846 HD13 ILE 111 HD13 ILE 111 -6.069 4.078 -10.907 847 H VAL 112 H VAL 112 -0.535 2.369 -10.191 848 HA VAL 112 HA VAL 112 1.066 2.802 -7.816 849 HB VAL 112 HB VAL 112 1.677 0.456 -8.051 850 HG11 VAL 112 HG11 VAL 112 -0.833 -0.396 -8.457 851 HG12 VAL 112 HG12 VAL 112 -1.165 1.329 -8.309 852 HG13 VAL 112 HG13 VAL 112 -0.370 0.468 -6.993 853 HG21 VAL 112 HG21 VAL 112 0.437 0.824 -10.778 854 HG22 VAL 112 HG22 VAL 112 0.563 -0.773 -10.041 855 HG23 VAL 112 HG23 VAL 112 2.020 0.162 -10.375 856 H GLY 113 H GLY 113 1.472 3.069 -11.204 857 HA2 GLY 113 HA2 GLY 113 4.255 2.529 -11.405 858 HA3 GLY 113 HA3 GLY 113 3.296 3.457 -12.554 859 H SER 114 H SER 114 3.071 4.602 -9.352 860 HA SER 114 HA SER 114 4.111 7.138 -9.947 861 HB2 SER 114 HB2 SER 114 3.821 5.787 -7.254 862 HB3 SER 114 HB3 SER 114 4.084 7.511 -7.505 863 HG SER 114 HG SER 114 2.108 7.677 -8.438 864 H VAL 115 H VAL 115 6.121 7.913 -10.059 865 HA VAL 115 HA VAL 115 8.381 6.194 -9.809 866 HB VAL 115 HB VAL 115 8.165 9.191 -10.144 867 HG11 VAL 115 HG11 VAL 115 10.540 7.319 -10.133 868 HG12 VAL 115 HG12 VAL 115 10.316 8.794 -9.194 869 HG13 VAL 115 HG13 VAL 115 10.585 8.889 -10.934 870 HG21 VAL 115 HG21 VAL 115 9.143 7.265 -12.220 871 HG22 VAL 115 HG22 VAL 115 8.301 8.801 -12.428 872 HG23 VAL 115 HG23 VAL 115 7.407 7.366 -11.924 873 H GLN 116 H GLN 116 7.058 8.803 -7.805 874 HA GLN 116 HA GLN 116 9.143 9.000 -5.950 875 HB2 GLN 116 HB2 GLN 116 7.166 10.546 -6.162 876 HB3 GLN 116 HB3 GLN 116 6.204 9.324 -5.329 877 HG2 GLN 116 HG2 GLN 116 7.854 9.399 -3.440 878 HG3 GLN 116 HG3 GLN 116 8.657 10.741 -4.255 879 HE21 GLN 116 HE21 GLN 116 7.971 12.744 -3.505 880 HE22 GLN 116 HE22 GLN 116 6.425 13.077 -2.887 881 H HIS 117 H HIS 117 6.311 6.852 -5.983 882 HA HIS 117 HA HIS 117 6.760 5.683 -3.448 883 HB2 HIS 117 HB2 HIS 117 4.647 5.525 -4.830 884 HB3 HIS 117 HB3 HIS 117 5.477 4.327 -5.823 885 HD1 HIS 117 HD1 HIS 117 5.908 4.579 -2.080 886 HD2 HIS 117 HD2 HIS 117 4.037 2.096 -4.856 887 HE1 HIS 117 HE1 HIS 117 5.107 2.553 -0.796 888 H ARG 118 H ARG 118 7.758 4.695 -6.715 889 HA ARG 118 HA ARG 118 9.043 2.301 -6.002 890 HB2 ARG 118 HB2 ARG 118 8.517 2.972 -8.334 891 HB3 ARG 118 HB3 ARG 118 9.782 4.197 -8.244 892 HG2 ARG 118 HG2 ARG 118 11.443 2.409 -7.752 893 HG3 ARG 118 HG3 ARG 118 10.167 1.204 -7.937 894 HD2 ARG 118 HD2 ARG 118 9.776 2.032 -10.258 895 HD3 ARG 118 HD3 ARG 118 11.137 3.133 -10.065 896 HE ARG 118 HE ARG 118 12.143 0.636 -9.455 897 HH11 ARG 118 HH11 ARG 118 10.499 2.129 -12.110 898 HH12 ARG 118 HH12 ARG 118 11.257 1.141 -13.314 899 HH21 ARG 118 HH21 ARG 118 13.142 -0.662 -11.031 900 HH22 ARG 118 HH22 ARG 118 12.751 -0.439 -12.703 901 H ASN 119 H ASN 119 10.230 5.634 -6.150 902 HA ASN 119 HA ASN 119 12.949 5.112 -5.666 903 HB2 ASN 119 HB2 ASN 119 11.262 7.516 -4.939 904 HB3 ASN 119 HB3 ASN 119 13.021 7.469 -4.852 905 HD21 ASN 119 HD21 ASN 119 11.694 9.298 -6.601 906 HD22 ASN 119 HD22 ASN 119 12.007 8.833 -8.202 907 H ASP 120 H ASP 120 10.214 5.486 -3.464 908 HA ASP 120 HA ASP 120 11.624 5.691 -1.050 909 HB2 ASP 120 HB2 ASP 120 8.926 4.463 -1.642 910 HB3 ASP 120 HB3 ASP 120 9.542 4.753 -0.017 911 H VAL 121 H VAL 121 10.679 2.862 -2.945 912 HA VAL 121 HA VAL 121 11.337 0.885 -1.050 913 HB VAL 121 HB VAL 121 11.345 0.820 -4.073 914 HG11 VAL 121 HG11 VAL 121 11.233 -1.682 -3.712 915 HG12 VAL 121 HG12 VAL 121 11.671 -1.393 -2.029 916 HG13 VAL 121 HG13 VAL 121 12.791 -0.957 -3.319 917 HG21 VAL 121 HG21 VAL 121 9.132 0.276 -3.916 918 HG22 VAL 121 HG22 VAL 121 9.243 1.088 -2.355 919 HG23 VAL 121 HG23 VAL 121 9.369 -0.669 -2.446 920 H LEU 122 H LEU 122 13.279 2.488 -3.547 921 HA LEU 122 HA LEU 122 15.654 0.973 -2.854 922 HB2 LEU 122 HB2 LEU 122 15.353 3.377 -4.670 923 HB3 LEU 122 HB3 LEU 122 16.746 2.299 -4.583 924 HG LEU 122 HG LEU 122 13.937 1.521 -5.421 925 HD11 LEU 122 HD11 LEU 122 14.628 2.133 -7.474 926 HD12 LEU 122 HD12 LEU 122 15.887 0.900 -7.376 927 HD13 LEU 122 HD13 LEU 122 16.225 2.549 -6.850 928 HD21 LEU 122 HD21 LEU 122 15.389 -0.609 -6.082 929 HD22 LEU 122 HD22 LEU 122 14.717 -0.443 -4.460 930 HD23 LEU 122 HD23 LEU 122 16.408 -0.041 -4.759 931 H ASN 123 H ASN 123 14.078 3.688 -1.631 932 HA ASN 123 HA ASN 123 14.656 5.298 -0.104 933 HB2 ASN 123 HB2 ASN 123 16.930 3.364 0.390 934 HB3 ASN 123 HB3 ASN 123 16.562 4.752 1.411 935 HD21 ASN 123 HD21 ASN 123 16.429 2.107 2.469 936 HD22 ASN 123 HD22 ASN 123 14.806 1.740 2.799 937 H ARG 124 H ARG 124 15.371 5.860 -2.721 938 HA ARG 124 HA ARG 124 17.832 7.438 -2.304 939 HB2 ARG 124 HB2 ARG 124 17.073 5.828 -4.747 940 HB3 ARG 124 HB3 ARG 124 18.309 7.086 -4.762 941 HG2 ARG 124 HG2 ARG 124 19.490 5.878 -2.913 942 HG3 ARG 124 HG3 ARG 124 18.306 4.578 -3.058 943 HD2 ARG 124 HD2 ARG 124 18.948 4.278 -5.434 944 HD3 ARG 124 HD3 ARG 124 20.159 5.543 -5.255 945 HE ARG 124 HE ARG 124 21.534 3.956 -4.296 946 HH11 ARG 124 HH11 ARG 124 18.217 3.033 -3.949 947 HH12 ARG 124 HH12 ARG 124 18.576 1.504 -3.218 948 HH21 ARG 124 HH21 ARG 124 22.012 1.956 -3.340 949 HH22 ARG 124 HH22 ARG 124 20.724 0.894 -2.873 950 HHA HEB 125 HHA HEB 125 4.604 -2.072 7.011 951 HHB HEB 125 HHB HEB 125 2.426 1.794 2.498 952 HHC HEB 125 HHC HEB 125 5.323 -1.730 -1.900 953 HHD HEB 125 HHD HEB 125 7.488 -5.578 2.599 954 HMA1 HEB 125 HMA1 HEB 125 2.103 2.441 6.192 955 HMA2 HEB 125 HMA2 HEB 125 0.935 1.819 5.029 956 HMA3 HEB 125 HMA3 HEB 125 2.271 2.831 4.486 957 HAA1 HEB 125 HAA1 HEB 125 2.887 -0.872 7.828 958 HAA2 HEB 125 HAA2 HEB 125 2.101 0.674 7.580 959 HBA1 HEB 125 HBA1 HEB 125 4.377 1.756 7.682 960 HBA2 HEB 125 HBA2 HEB 125 5.028 0.188 8.154 961 HMB1 HEB 125 HMB1 HEB 125 2.400 2.554 -1.200 962 HMB2 HEB 125 HMB2 HEB 125 2.741 3.076 0.449 963 HMB3 HEB 125 HMB3 HEB 125 1.339 2.057 0.119 964 HAB2 HEB 125 HAB2 HEB 125 4.253 -0.196 -2.908 965 HBB1 HEB 125 HBB1 HEB 125 1.612 0.451 -2.055 966 HBB2 HEB 125 HBB2 HEB 125 2.145 -0.161 -3.620 967 HBB3 HEB 125 HBB3 HEB 125 2.085 1.576 -3.328 968 HMC1 HEB 125 HMC1 HEB 125 7.407 -3.086 -2.668 969 HMC2 HEB 125 HMC2 HEB 125 5.887 -3.970 -2.815 970 HMC3 HEB 125 HMC3 HEB 125 7.392 -4.842 -2.516 971 HAC HEB 125 HAC HEB 125 8.918 -5.722 0.241 972 HBC1 HEB 125 HBC1 HEB 125 6.331 -6.953 -0.922 973 HBC2 HEB 125 HBC2 HEB 125 7.989 -7.776 -0.751 974 HMD1 HEB 125 HMD1 HEB 125 7.321 -6.774 4.490 975 HMD2 HEB 125 HMD2 HEB 125 7.184 -6.542 6.227 976 HMD3 HEB 125 HMD3 HEB 125 8.540 -5.837 5.350 977 HAD1 HEB 125 HAD1 HEB 125 6.180 -3.354 7.990 978 HAD2 HEB 125 HAD2 HEB 125 6.958 -4.905 7.749 979 HBD1 HEB 125 HBD1 HEB 125 4.879 -6.059 7.707 980 HBD2 HEB 125 HBD2 HEB 125 3.968 -4.563 7.523 Start of MODEL 14 1 H1 ALA 2 H1 ALA 2 -13.993 7.344 4.998 2 H2 ALA 2 H2 ALA 2 -12.759 6.214 5.300 3 H3 ALA 2 H3 ALA 2 -14.278 6.037 6.040 4 HA ALA 2 HA ALA 2 -15.260 5.185 4.206 5 HB1 ALA 2 HB1 ALA 2 -14.434 5.749 1.896 6 HB2 ALA 2 HB2 ALA 2 -13.244 6.818 2.639 7 HB3 ALA 2 HB3 ALA 2 -14.966 7.152 2.823 8 H SER 3 H SER 3 -14.919 3.109 3.613 9 HA SER 3 HA SER 3 -12.121 2.165 3.441 10 HB2 SER 3 HB2 SER 3 -12.772 0.120 4.583 11 HB3 SER 3 HB3 SER 3 -13.188 1.505 5.588 12 HG SER 3 HG SER 3 -14.854 -0.170 5.281 13 H LEU 4 H LEU 4 -11.808 0.256 2.135 14 HA LEU 4 HA LEU 4 -13.043 0.360 -0.368 15 HB2 LEU 4 HB2 LEU 4 -10.836 -0.702 0.105 16 HB3 LEU 4 HB3 LEU 4 -11.682 -2.038 0.881 17 HG LEU 4 HG LEU 4 -12.947 -2.397 -1.267 18 HD11 LEU 4 HD11 LEU 4 -11.265 -1.263 -3.156 19 HD12 LEU 4 HD12 LEU 4 -11.434 0.019 -1.959 20 HD13 LEU 4 HD13 LEU 4 -12.867 -0.667 -2.724 21 HD21 LEU 4 HD21 LEU 4 -9.923 -2.585 -1.253 22 HD22 LEU 4 HD22 LEU 4 -10.928 -3.335 -2.493 23 HD23 LEU 4 HD23 LEU 4 -11.080 -3.841 -0.810 24 H TYR 5 H TYR 5 -13.783 -1.591 2.476 25 HA TYR 5 HA TYR 5 -15.601 -3.391 1.342 26 HB2 TYR 5 HB2 TYR 5 -15.027 -3.915 3.526 27 HB3 TYR 5 HB3 TYR 5 -15.213 -2.253 4.085 28 HD1 TYR 5 HD1 TYR 5 -17.571 -4.313 2.039 29 HD2 TYR 5 HD2 TYR 5 -16.814 -2.394 5.807 30 HE1 TYR 5 HE1 TYR 5 -19.898 -4.790 2.753 31 HE2 TYR 5 HE2 TYR 5 -19.140 -2.873 6.519 32 HH TYR 5 HH TYR 5 -21.155 -3.590 5.849 33 H GLU 6 H GLU 6 -16.132 -0.134 2.663 34 HA GLU 6 HA GLU 6 -18.939 -0.113 2.402 35 HB2 GLU 6 HB2 GLU 6 -17.625 1.542 3.717 36 HB3 GLU 6 HB3 GLU 6 -17.051 2.244 2.204 37 HG2 GLU 6 HG2 GLU 6 -19.419 2.650 1.536 38 HG3 GLU 6 HG3 GLU 6 -19.938 2.049 3.110 39 H LYS 7 H LYS 7 -16.353 0.748 0.143 40 HA LYS 7 HA LYS 7 -17.983 1.881 -1.863 41 HB2 LYS 7 HB2 LYS 7 -15.506 2.095 -1.762 42 HB3 LYS 7 HB3 LYS 7 -15.370 0.398 -2.223 43 HG2 LYS 7 HG2 LYS 7 -16.640 0.882 -4.302 44 HG3 LYS 7 HG3 LYS 7 -16.694 2.587 -3.852 45 HD2 LYS 7 HD2 LYS 7 -14.186 2.590 -3.793 46 HD3 LYS 7 HD3 LYS 7 -14.212 0.940 -4.417 47 HE2 LYS 7 HE2 LYS 7 -15.606 3.229 -5.820 48 HE3 LYS 7 HE3 LYS 7 -13.935 2.781 -6.164 49 HZ1 LYS 7 HZ1 LYS 7 -15.478 0.452 -6.161 50 HZ2 LYS 7 HZ2 LYS 7 -14.675 1.178 -7.471 51 HZ3 LYS 7 HZ3 LYS 7 -16.284 1.593 -7.121 52 H LEU 8 H LEU 8 -16.715 -1.438 -1.512 53 HA LEU 8 HA LEU 8 -18.035 -2.439 -3.826 54 HB2 LEU 8 HB2 LEU 8 -17.039 -3.952 -1.400 55 HB3 LEU 8 HB3 LEU 8 -17.431 -4.650 -2.971 56 HG LEU 8 HG LEU 8 -15.251 -2.616 -2.407 57 HD11 LEU 8 HD11 LEU 8 -14.157 -4.534 -1.855 58 HD12 LEU 8 HD12 LEU 8 -14.092 -4.790 -3.598 59 HD13 LEU 8 HD13 LEU 8 -15.358 -5.558 -2.640 60 HD21 LEU 8 HD21 LEU 8 -15.892 -2.061 -4.575 61 HD22 LEU 8 HD22 LEU 8 -16.462 -3.692 -4.932 62 HD23 LEU 8 HD23 LEU 8 -14.733 -3.350 -4.900 63 H GLY 9 H GLY 9 -18.914 -2.243 -0.418 64 HA2 GLY 9 HA2 GLY 9 -21.103 -2.168 0.428 65 HA3 GLY 9 HA3 GLY 9 -21.701 -2.741 -1.126 66 H GLY 10 H GLY 10 -19.069 -4.579 -0.147 67 HA2 GLY 10 HA2 GLY 10 -20.644 -6.490 1.423 68 HA3 GLY 10 HA3 GLY 10 -20.004 -7.044 -0.121 69 H ALA 11 H ALA 11 -19.326 -6.486 3.177 70 HA ALA 11 HA ALA 11 -16.508 -6.243 3.106 71 HB1 ALA 11 HB1 ALA 11 -17.385 -5.710 5.183 72 HB2 ALA 11 HB2 ALA 11 -16.806 -7.350 5.480 73 HB3 ALA 11 HB3 ALA 11 -18.518 -7.062 5.167 74 H ALA 12 H ALA 12 -18.666 -9.046 3.208 75 HA ALA 12 HA ALA 12 -16.658 -11.009 3.578 76 HB1 ALA 12 HB1 ALA 12 -18.966 -11.573 3.987 77 HB2 ALA 12 HB2 ALA 12 -18.388 -12.577 2.657 78 HB3 ALA 12 HB3 ALA 12 -19.406 -11.176 2.326 79 H ALA 13 H ALA 13 -18.070 -9.532 0.694 80 HA ALA 13 HA ALA 13 -16.864 -11.226 -1.218 81 HB1 ALA 13 HB1 ALA 13 -18.748 -9.588 -1.624 82 HB2 ALA 13 HB2 ALA 13 -17.466 -9.566 -2.834 83 HB3 ALA 13 HB3 ALA 13 -17.537 -8.306 -1.603 84 H VAL 14 H VAL 14 -15.722 -8.388 0.504 85 HA VAL 14 HA VAL 14 -13.476 -7.787 -1.085 86 HB VAL 14 HB VAL 14 -13.930 -7.413 1.884 87 HG11 VAL 14 HG11 VAL 14 -11.732 -6.549 0.021 88 HG12 VAL 14 HG12 VAL 14 -11.610 -7.188 1.659 89 HG13 VAL 14 HG13 VAL 14 -12.171 -5.538 1.398 90 HG21 VAL 14 HG21 VAL 14 -13.951 -4.997 0.375 91 HG22 VAL 14 HG22 VAL 14 -15.299 -5.749 1.229 92 HG23 VAL 14 HG23 VAL 14 -14.994 -6.146 -0.463 93 H ASP 15 H ASP 15 -13.873 -9.970 1.685 94 HA ASP 15 HA ASP 15 -11.178 -10.702 1.985 95 HB2 ASP 15 HB2 ASP 15 -13.717 -12.232 2.577 96 HB3 ASP 15 HB3 ASP 15 -12.110 -12.763 3.072 97 H LEU 16 H LEU 16 -13.732 -12.059 -0.075 98 HA LEU 16 HA LEU 16 -12.338 -14.323 -0.978 99 HB2 LEU 16 HB2 LEU 16 -14.613 -12.695 -2.015 100 HB3 LEU 16 HB3 LEU 16 -13.850 -13.848 -3.108 101 HG LEU 16 HG LEU 16 -15.802 -14.767 -1.772 102 HD11 LEU 16 HD11 LEU 16 -14.804 -16.732 -2.210 103 HD12 LEU 16 HD12 LEU 16 -13.778 -16.538 -0.789 104 HD13 LEU 16 HD13 LEU 16 -13.252 -15.906 -2.349 105 HD21 LEU 16 HD21 LEU 16 -13.910 -14.935 0.554 106 HD22 LEU 16 HD22 LEU 16 -15.670 -15.029 0.540 107 HD23 LEU 16 HD23 LEU 16 -14.870 -13.474 0.331 108 H ALA 17 H ALA 17 -12.389 -10.998 -2.216 109 HA ALA 17 HA ALA 17 -10.849 -11.490 -4.538 110 HB1 ALA 17 HB1 ALA 17 -10.338 -8.865 -3.480 111 HB2 ALA 17 HB2 ALA 17 -12.047 -9.255 -3.291 112 HB3 ALA 17 HB3 ALA 17 -11.299 -9.324 -4.886 113 H VAL 18 H VAL 18 -9.987 -10.751 -1.207 114 HA VAL 18 HA VAL 18 -7.230 -10.277 -1.628 115 HB VAL 18 HB VAL 18 -8.744 -11.233 0.807 116 HG11 VAL 18 HG11 VAL 18 -5.855 -10.819 0.285 117 HG12 VAL 18 HG12 VAL 18 -6.646 -11.815 1.505 118 HG13 VAL 18 HG13 VAL 18 -6.476 -10.078 1.759 119 HG21 VAL 18 HG21 VAL 18 -9.121 -9.033 1.246 120 HG22 VAL 18 HG22 VAL 18 -8.788 -8.793 -0.469 121 HG23 VAL 18 HG23 VAL 18 -7.505 -8.560 0.720 122 H GLU 19 H GLU 19 -9.083 -13.227 -1.015 123 HA GLU 19 HA GLU 19 -6.940 -14.961 -0.492 124 HB2 GLU 19 HB2 GLU 19 -9.622 -15.498 -1.780 125 HB3 GLU 19 HB3 GLU 19 -8.500 -16.759 -1.269 126 HG2 GLU 19 HG2 GLU 19 -8.564 -15.855 1.040 127 HG3 GLU 19 HG3 GLU 19 -9.734 -14.645 0.519 128 H LYS 20 H LYS 20 -8.387 -13.950 -3.576 129 HA LYS 20 HA LYS 20 -6.942 -15.745 -5.214 130 HB2 LYS 20 HB2 LYS 20 -8.248 -13.078 -5.728 131 HB3 LYS 20 HB3 LYS 20 -7.350 -13.913 -6.994 132 HG2 LYS 20 HG2 LYS 20 -9.582 -14.636 -7.296 133 HG3 LYS 20 HG3 LYS 20 -8.823 -15.965 -6.425 134 HD2 LYS 20 HD2 LYS 20 -9.734 -15.142 -4.309 135 HD3 LYS 20 HD3 LYS 20 -10.423 -13.739 -5.129 136 HE2 LYS 20 HE2 LYS 20 -12.197 -14.922 -5.889 137 HE3 LYS 20 HE3 LYS 20 -11.184 -16.283 -6.373 138 HZ1 LYS 20 HZ1 LYS 20 -11.326 -17.242 -4.310 139 HZ2 LYS 20 HZ2 LYS 20 -12.871 -16.550 -4.444 140 HZ3 LYS 20 HZ3 LYS 20 -11.671 -15.783 -3.518 141 H PHE 21 H PHE 21 -6.235 -12.445 -4.120 142 HA PHE 21 HA PHE 21 -3.769 -12.238 -5.549 143 HB2 PHE 21 HB2 PHE 21 -5.076 -10.271 -4.764 144 HB3 PHE 21 HB3 PHE 21 -4.669 -10.701 -3.102 145 HD1 PHE 21 HD1 PHE 21 -3.324 -9.525 -6.337 146 HD2 PHE 21 HD2 PHE 21 -2.433 -10.386 -2.225 147 HE1 PHE 21 HE1 PHE 21 -1.150 -8.352 -6.562 148 HE2 PHE 21 HE2 PHE 21 -0.260 -9.213 -2.450 149 HZ PHE 21 HZ PHE 21 0.382 -8.196 -4.619 150 H TYR 22 H TYR 22 -4.561 -12.858 -2.133 151 HA TYR 22 HA TYR 22 -1.926 -13.195 -1.218 152 HB2 TYR 22 HB2 TYR 22 -3.869 -12.892 0.274 153 HB3 TYR 22 HB3 TYR 22 -4.452 -14.496 -0.174 154 HD1 TYR 22 HD1 TYR 22 -1.724 -12.643 1.520 155 HD2 TYR 22 HD2 TYR 22 -3.444 -16.494 0.706 156 HE1 TYR 22 HE1 TYR 22 -0.254 -13.663 3.239 157 HE2 TYR 22 HE2 TYR 22 -1.976 -17.513 2.424 158 HH TYR 22 HH TYR 22 -0.271 -17.175 3.818 159 H GLY 23 H GLY 23 -4.262 -15.551 -2.489 160 HA2 GLY 23 HA2 GLY 23 -2.794 -17.885 -2.007 161 HA3 GLY 23 HA3 GLY 23 -3.972 -17.686 -3.301 162 H LYS 24 H LYS 24 -2.787 -15.730 -4.839 163 HA LYS 24 HA LYS 24 -0.935 -17.216 -6.371 164 HB2 LYS 24 HB2 LYS 24 -2.449 -15.346 -7.178 165 HB3 LYS 24 HB3 LYS 24 -1.299 -14.218 -6.458 166 HG2 LYS 24 HG2 LYS 24 0.493 -15.071 -7.864 167 HG3 LYS 24 HG3 LYS 24 -0.567 -16.319 -8.516 168 HD2 LYS 24 HD2 LYS 24 -1.951 -13.889 -8.876 169 HD3 LYS 24 HD3 LYS 24 -0.283 -13.555 -9.341 170 HE2 LYS 24 HE2 LYS 24 -0.284 -15.330 -10.955 171 HE3 LYS 24 HE3 LYS 24 -1.813 -15.968 -10.350 172 HZ1 LYS 24 HZ1 LYS 24 -2.826 -14.680 -11.812 173 HZ2 LYS 24 HZ2 LYS 24 -1.369 -13.936 -12.265 174 HZ3 LYS 24 HZ3 LYS 24 -2.273 -13.319 -10.967 175 H VAL 25 H VAL 25 -0.530 -14.562 -4.057 176 HA VAL 25 HA VAL 25 2.262 -14.234 -4.380 177 HB VAL 25 HB VAL 25 0.428 -13.662 -2.043 178 HG11 VAL 25 HG11 VAL 25 2.596 -13.870 -1.079 179 HG12 VAL 25 HG12 VAL 25 2.380 -12.142 -1.361 180 HG13 VAL 25 HG13 VAL 25 3.368 -13.099 -2.465 181 HG21 VAL 25 HG21 VAL 25 1.748 -11.846 -4.084 182 HG22 VAL 25 HG22 VAL 25 0.604 -11.358 -2.834 183 HG23 VAL 25 HG23 VAL 25 0.071 -12.385 -4.165 184 H LEU 26 H LEU 26 0.310 -16.302 -2.291 185 HA LEU 26 HA LEU 26 2.347 -17.320 -0.653 186 HB2 LEU 26 HB2 LEU 26 -0.111 -17.641 -0.294 187 HB3 LEU 26 HB3 LEU 26 -0.113 -18.788 -1.631 188 HG LEU 26 HG LEU 26 1.712 -20.060 -0.374 189 HD11 LEU 26 HD11 LEU 26 0.944 -19.247 2.242 190 HD12 LEU 26 HD12 LEU 26 1.416 -17.792 1.366 191 HD13 LEU 26 HD13 LEU 26 2.541 -19.143 1.504 192 HD21 LEU 26 HD21 LEU 26 -1.164 -19.878 0.160 193 HD22 LEU 26 HD22 LEU 26 -0.259 -20.575 1.503 194 HD23 LEU 26 HD23 LEU 26 -0.160 -21.304 -0.099 195 H ALA 27 H ALA 27 1.255 -18.247 -3.874 196 HA ALA 27 HA ALA 27 2.640 -20.681 -4.111 197 HB1 ALA 27 HB1 ALA 27 2.104 -20.595 -6.367 198 HB2 ALA 27 HB2 ALA 27 2.323 -18.848 -6.459 199 HB3 ALA 27 HB3 ALA 27 0.888 -19.518 -5.683 200 H ASP 28 H ASP 28 3.672 -17.341 -4.685 201 HA ASP 28 HA ASP 28 6.293 -18.209 -5.614 202 HB2 ASP 28 HB2 ASP 28 5.172 -16.198 -6.566 203 HB3 ASP 28 HB3 ASP 28 5.302 -15.418 -4.991 204 H GLU 29 H GLU 29 7.590 -19.030 -4.081 205 HA GLU 29 HA GLU 29 7.515 -18.156 -1.343 206 HB2 GLU 29 HB2 GLU 29 9.218 -19.786 -0.953 207 HB3 GLU 29 HB3 GLU 29 8.104 -20.490 -2.125 208 HG2 GLU 29 HG2 GLU 29 9.638 -19.685 -3.955 209 HG3 GLU 29 HG3 GLU 29 10.788 -19.210 -2.706 210 H ARG 30 H ARG 30 9.179 -17.166 -4.182 211 HA ARG 30 HA ARG 30 11.574 -16.164 -3.156 212 HB2 ARG 30 HB2 ARG 30 9.853 -15.105 -5.409 213 HB3 ARG 30 HB3 ARG 30 11.517 -14.608 -5.097 214 HG2 ARG 30 HG2 ARG 30 12.226 -16.995 -5.312 215 HG3 ARG 30 HG3 ARG 30 10.569 -17.412 -5.753 216 HD2 ARG 30 HD2 ARG 30 12.388 -15.501 -7.246 217 HD3 ARG 30 HD3 ARG 30 11.916 -17.113 -7.775 218 HE ARG 30 HE ARG 30 9.520 -15.937 -7.493 219 HH11 ARG 30 HH11 ARG 30 12.483 -14.862 -8.921 220 HH12 ARG 30 HH12 ARG 30 11.710 -13.852 -10.098 221 HH21 ARG 30 HH21 ARG 30 8.500 -14.615 -9.032 222 HH22 ARG 30 HH22 ARG 30 9.456 -13.712 -10.161 223 H VAL 31 H VAL 31 8.355 -14.661 -3.277 224 HA VAL 31 HA VAL 31 9.331 -12.187 -2.136 225 HB VAL 31 HB VAL 31 7.022 -11.462 -2.200 226 HG11 VAL 31 HG11 VAL 31 7.844 -13.112 -4.607 227 HG12 VAL 31 HG12 VAL 31 8.182 -11.404 -4.328 228 HG13 VAL 31 HG13 VAL 31 6.528 -11.939 -4.619 229 HG21 VAL 31 HG21 VAL 31 6.559 -14.364 -2.151 230 HG22 VAL 31 HG22 VAL 31 5.567 -13.518 -3.337 231 HG23 VAL 31 HG23 VAL 31 5.501 -13.051 -1.638 232 H ASN 32 H ASN 32 7.827 -15.130 -0.998 233 HA ASN 32 HA ASN 32 6.885 -14.307 1.497 234 HB2 ASN 32 HB2 ASN 32 8.074 -16.959 0.665 235 HB3 ASN 32 HB3 ASN 32 7.195 -16.686 2.169 236 HD21 ASN 32 HD21 ASN 32 6.226 -18.532 0.206 237 HD22 ASN 32 HD22 ASN 32 4.790 -17.908 -0.448 238 H ARG 33 H ARG 33 10.154 -15.113 0.459 239 HA ARG 33 HA ARG 33 11.385 -15.426 2.942 240 HB2 ARG 33 HB2 ARG 33 12.486 -14.210 0.400 241 HB3 ARG 33 HB3 ARG 33 13.464 -14.703 1.785 242 HG2 ARG 33 HG2 ARG 33 12.546 -17.013 1.558 243 HG3 ARG 33 HG3 ARG 33 11.691 -16.499 0.104 244 HD2 ARG 33 HD2 ARG 33 13.915 -15.791 -0.851 245 HD3 ARG 33 HD3 ARG 33 14.687 -16.547 0.539 246 HE ARG 33 HE ARG 33 13.109 -18.534 -0.463 247 HH11 ARG 33 HH11 ARG 33 15.468 -16.376 -1.787 248 HH12 ARG 33 HH12 ARG 33 15.992 -17.480 -3.014 249 HH21 ARG 33 HH21 ARG 33 13.791 -19.988 -2.070 250 HH22 ARG 33 HH22 ARG 33 15.042 -19.526 -3.174 251 H PHE 34 H PHE 34 10.638 -12.472 1.137 252 HA PHE 34 HA PHE 34 11.984 -10.702 2.922 253 HB2 PHE 34 HB2 PHE 34 9.819 -10.253 0.865 254 HB3 PHE 34 HB3 PHE 34 10.582 -8.950 1.777 255 HD1 PHE 34 HD1 PHE 34 12.954 -8.400 1.462 256 HD2 PHE 34 HD2 PHE 34 11.057 -11.504 -0.819 257 HE1 PHE 34 HE1 PHE 34 14.868 -8.412 -0.115 258 HE2 PHE 34 HE2 PHE 34 12.969 -11.515 -2.398 259 HZ PHE 34 HZ PHE 34 14.876 -9.969 -2.045 260 H PHE 35 H PHE 35 8.740 -12.048 2.807 261 HA PHE 35 HA PHE 35 7.749 -10.269 4.869 262 HB2 PHE 35 HB2 PHE 35 6.538 -12.693 3.529 263 HB3 PHE 35 HB3 PHE 35 5.710 -11.722 4.745 264 HD1 PHE 35 HD1 PHE 35 5.536 -9.173 4.310 265 HD2 PHE 35 HD2 PHE 35 6.484 -12.052 1.268 266 HE1 PHE 35 HE1 PHE 35 4.868 -7.546 2.562 267 HE2 PHE 35 HE2 PHE 35 5.820 -10.424 -0.482 268 HZ PHE 35 HZ PHE 35 5.012 -8.170 0.167 269 H VAL 36 H VAL 36 9.908 -12.657 5.068 270 HA VAL 36 HA VAL 36 8.969 -14.446 7.007 271 HB VAL 36 HB VAL 36 11.740 -13.346 6.507 272 HG11 VAL 36 HG11 VAL 36 12.318 -15.556 7.800 273 HG12 VAL 36 HG12 VAL 36 10.710 -15.353 8.496 274 HG13 VAL 36 HG13 VAL 36 11.931 -14.099 8.714 275 HG21 VAL 36 HG21 VAL 36 12.036 -15.173 5.119 276 HG22 VAL 36 HG22 VAL 36 10.306 -14.914 4.890 277 HG23 VAL 36 HG23 VAL 36 10.871 -16.162 6.000 278 H ASN 37 H ASN 37 10.483 -11.257 7.367 279 HA ASN 37 HA ASN 37 10.652 -11.213 10.172 280 HB2 ASN 37 HB2 ASN 37 10.240 -8.939 8.217 281 HB3 ASN 37 HB3 ASN 37 10.676 -8.739 9.913 282 HD21 ASN 37 HD21 ASN 37 12.411 -7.833 7.823 283 HD22 ASN 37 HD22 ASN 37 13.812 -8.792 7.842 284 H THR 38 H THR 38 7.992 -10.547 7.980 285 HA THR 38 HA THR 38 6.266 -9.755 10.224 286 HB THR 38 HB THR 38 5.713 -9.735 7.248 287 HG1 THR 38 HG1 THR 38 7.101 -8.087 8.876 288 HG21 THR 38 HG21 THR 38 4.243 -8.482 9.583 289 HG22 THR 38 HG22 THR 38 3.696 -9.886 8.664 290 HG23 THR 38 HG23 THR 38 3.812 -8.310 7.881 291 H ASP 39 H ASP 39 4.485 -10.922 10.847 292 HA ASP 39 HA ASP 39 4.482 -13.727 10.193 293 HB2 ASP 39 HB2 ASP 39 2.669 -13.890 11.813 294 HB3 ASP 39 HB3 ASP 39 3.969 -12.896 12.469 295 H MET 40 H MET 40 2.428 -14.849 9.604 296 HA MET 40 HA MET 40 1.491 -13.974 7.099 297 HB2 MET 40 HB2 MET 40 0.357 -16.018 9.022 298 HB3 MET 40 HB3 MET 40 -0.195 -15.804 7.362 299 HG2 MET 40 HG2 MET 40 1.401 -17.352 6.874 300 HG3 MET 40 HG3 MET 40 2.510 -15.987 6.996 301 HE1 MET 40 HE1 MET 40 4.893 -18.065 8.742 302 HE2 MET 40 HE2 MET 40 4.290 -17.375 7.238 303 HE3 MET 40 HE3 MET 40 3.830 -19.013 7.694 304 H ALA 41 H ALA 41 0.152 -13.598 10.345 305 HA ALA 41 HA ALA 41 -2.430 -12.749 9.621 306 HB1 ALA 41 HB1 ALA 41 -0.741 -12.027 12.024 307 HB2 ALA 41 HB2 ALA 41 -1.914 -13.338 11.913 308 HB3 ALA 41 HB3 ALA 41 -2.459 -11.662 11.866 309 H LYS 42 H LYS 42 0.360 -10.725 10.573 310 HA LYS 42 HA LYS 42 -0.832 -8.269 9.875 311 HB2 LYS 42 HB2 LYS 42 2.086 -9.048 10.049 312 HB3 LYS 42 HB3 LYS 42 1.501 -7.392 9.901 313 HG2 LYS 42 HG2 LYS 42 0.172 -7.715 11.989 314 HG3 LYS 42 HG3 LYS 42 0.885 -9.321 12.157 315 HD2 LYS 42 HD2 LYS 42 3.152 -8.267 12.169 316 HD3 LYS 42 HD3 LYS 42 2.378 -6.682 12.139 317 HE2 LYS 42 HE2 LYS 42 1.905 -6.767 14.346 318 HE3 LYS 42 HE3 LYS 42 1.271 -8.407 14.220 319 HZ1 LYS 42 HZ1 LYS 42 3.612 -9.183 14.133 320 HZ2 LYS 42 HZ2 LYS 42 3.184 -8.457 15.608 321 HZ3 LYS 42 HZ3 LYS 42 4.114 -7.599 14.474 322 H GLN 43 H GLN 43 0.999 -10.616 8.002 323 HA GLN 43 HA GLN 43 1.661 -9.091 5.770 324 HB2 GLN 43 HB2 GLN 43 2.376 -11.451 6.196 325 HB3 GLN 43 HB3 GLN 43 0.756 -11.978 5.736 326 HG2 GLN 43 HG2 GLN 43 1.058 -10.845 3.532 327 HG3 GLN 43 HG3 GLN 43 2.715 -10.458 3.992 328 HE21 GLN 43 HE21 GLN 43 2.276 -13.349 5.463 329 HE22 GLN 43 HE22 GLN 43 2.769 -14.398 4.223 330 H LYS 44 H LYS 44 -1.376 -10.770 6.523 331 HA LYS 44 HA LYS 44 -2.669 -10.319 4.065 332 HB2 LYS 44 HB2 LYS 44 -3.809 -10.595 6.855 333 HB3 LYS 44 HB3 LYS 44 -4.775 -10.608 5.380 334 HG2 LYS 44 HG2 LYS 44 -3.476 -12.553 4.558 335 HG3 LYS 44 HG3 LYS 44 -2.541 -12.547 6.052 336 HD2 LYS 44 HD2 LYS 44 -4.208 -14.162 6.462 337 HD3 LYS 44 HD3 LYS 44 -4.837 -12.714 7.247 338 HE2 LYS 44 HE2 LYS 44 -6.704 -12.992 6.010 339 HE3 LYS 44 HE3 LYS 44 -5.747 -12.510 4.610 340 HZ1 LYS 44 HZ1 LYS 44 -5.345 -14.696 4.026 341 HZ2 LYS 44 HZ2 LYS 44 -6.959 -14.751 4.556 342 HZ3 LYS 44 HZ3 LYS 44 -5.710 -15.298 5.569 343 H GLN 45 H GLN 45 -2.339 -8.320 6.948 344 HA GLN 45 HA GLN 45 -4.201 -6.320 6.294 345 HB2 GLN 45 HB2 GLN 45 -3.067 -6.598 8.511 346 HB3 GLN 45 HB3 GLN 45 -1.599 -5.941 7.788 347 HG2 GLN 45 HG2 GLN 45 -2.887 -3.893 7.151 348 HG3 GLN 45 HG3 GLN 45 -4.277 -4.542 8.020 349 HE21 GLN 45 HE21 GLN 45 -4.433 -3.755 10.117 350 HE22 GLN 45 HE22 GLN 45 -3.118 -3.281 11.080 351 H HIS 46 H HIS 46 -0.800 -6.732 5.400 352 HA HIS 46 HA HIS 46 -0.374 -4.219 4.230 353 HB2 HIS 46 HB2 HIS 46 1.407 -5.901 4.705 354 HB3 HIS 46 HB3 HIS 46 0.821 -6.853 3.341 355 HD1 HIS 46 HD1 HIS 46 1.612 -6.180 1.044 356 HD2 HIS 46 HD2 HIS 46 2.374 -3.232 3.891 357 HE1 HIS 46 HE1 HIS 46 3.013 -4.413 -0.112 358 H GLN 47 H GLN 47 -1.647 -7.229 2.827 359 HA GLN 47 HA GLN 47 -1.835 -6.347 0.165 360 HB2 GLN 47 HB2 GLN 47 -3.395 -8.390 1.742 361 HB3 GLN 47 HB3 GLN 47 -3.720 -8.077 0.039 362 HG2 GLN 47 HG2 GLN 47 -2.040 -9.969 0.655 363 HG3 GLN 47 HG3 GLN 47 -1.615 -8.854 -0.640 364 HE21 GLN 47 HE21 GLN 47 -0.406 -10.264 2.163 365 HE22 GLN 47 HE22 GLN 47 0.817 -9.139 2.510 366 H LYS 48 H LYS 48 -4.043 -5.982 2.906 367 HA LYS 48 HA LYS 48 -6.247 -4.953 1.484 368 HB2 LYS 48 HB2 LYS 48 -6.317 -5.695 3.861 369 HB3 LYS 48 HB3 LYS 48 -5.391 -4.261 4.305 370 HG2 LYS 48 HG2 LYS 48 -7.175 -2.831 3.329 371 HG3 LYS 48 HG3 LYS 48 -8.113 -4.280 2.968 372 HD2 LYS 48 HD2 LYS 48 -8.064 -4.858 5.405 373 HD3 LYS 48 HD3 LYS 48 -7.269 -3.314 5.714 374 HE2 LYS 48 HE2 LYS 48 -9.992 -3.670 4.423 375 HE3 LYS 48 HE3 LYS 48 -9.701 -3.132 6.078 376 HZ1 LYS 48 HZ1 LYS 48 -9.177 -1.726 3.549 377 HZ2 LYS 48 HZ2 LYS 48 -8.238 -1.362 4.916 378 HZ3 LYS 48 HZ3 LYS 48 -9.924 -1.155 4.959 379 H ASP 49 H ASP 49 -3.570 -3.280 3.139 380 HA ASP 49 HA ASP 49 -4.384 -0.668 2.347 381 HB2 ASP 49 HB2 ASP 49 -1.705 -1.737 3.260 382 HB3 ASP 49 HB3 ASP 49 -2.066 -0.028 3.027 383 H PHE 50 H PHE 50 -2.084 -3.021 1.045 384 HA PHE 50 HA PHE 50 -1.012 -1.395 -1.000 385 HB2 PHE 50 HB2 PHE 50 -0.011 -3.536 -0.220 386 HB3 PHE 50 HB3 PHE 50 -1.336 -4.405 -0.994 387 HD1 PHE 50 HD1 PHE 50 1.626 -2.264 -1.580 388 HD2 PHE 50 HD2 PHE 50 -1.458 -4.643 -3.394 389 HE1 PHE 50 HE1 PHE 50 2.832 -2.177 -3.746 390 HE2 PHE 50 HE2 PHE 50 -0.251 -4.556 -5.559 391 HZ PHE 50 HZ PHE 50 1.894 -3.323 -5.735 392 H MET 51 H MET 51 -3.691 -3.734 -1.010 393 HA MET 51 HA MET 51 -4.345 -3.520 -3.737 394 HB2 MET 51 HB2 MET 51 -5.181 -5.289 -2.192 395 HB3 MET 51 HB3 MET 51 -6.226 -4.085 -1.435 396 HG2 MET 51 HG2 MET 51 -7.284 -3.657 -3.648 397 HG3 MET 51 HG3 MET 51 -6.292 -4.937 -4.344 398 HE1 MET 51 HE1 MET 51 -9.190 -6.989 -4.600 399 HE2 MET 51 HE2 MET 51 -8.276 -5.636 -5.262 400 HE3 MET 51 HE3 MET 51 -9.780 -5.334 -4.396 401 H THR 52 H THR 52 -5.436 -1.675 -0.918 402 HA THR 52 HA THR 52 -7.422 -0.150 -2.225 403 HB THR 52 HB THR 52 -5.725 0.704 0.131 404 HG1 THR 52 HG1 THR 52 -7.815 -1.123 -0.166 405 HG21 THR 52 HG21 THR 52 -8.611 1.363 -0.459 406 HG22 THR 52 HG22 THR 52 -7.290 2.357 -1.074 407 HG23 THR 52 HG23 THR 52 -7.512 2.166 0.664 408 H TYR 53 H TYR 53 -3.951 0.321 -1.807 409 HA TYR 53 HA TYR 53 -3.726 2.961 -2.698 410 HB2 TYR 53 HB2 TYR 53 -1.890 1.668 -1.653 411 HB3 TYR 53 HB3 TYR 53 -1.757 0.704 -3.124 412 HD1 TYR 53 HD1 TYR 53 -1.345 4.091 -1.685 413 HD2 TYR 53 HD2 TYR 53 -0.748 1.591 -5.125 414 HE1 TYR 53 HE1 TYR 53 0.108 5.829 -2.695 415 HE2 TYR 53 HE2 TYR 53 0.705 3.328 -6.136 416 HH TYR 53 HH TYR 53 0.768 6.430 -5.220 417 H ALA 54 H ALA 54 -3.913 -0.061 -4.520 418 HA ALA 54 HA ALA 54 -3.209 0.907 -7.051 419 HB1 ALA 54 HB1 ALA 54 -5.353 -1.166 -6.693 420 HB2 ALA 54 HB2 ALA 54 -3.683 -1.519 -6.244 421 HB3 ALA 54 HB3 ALA 54 -4.075 -1.086 -7.908 422 H PHE 55 H PHE 55 -6.212 1.168 -5.258 423 HA PHE 55 HA PHE 55 -7.712 2.120 -7.547 424 HB2 PHE 55 HB2 PHE 55 -8.352 1.899 -4.605 425 HB3 PHE 55 HB3 PHE 55 -9.467 2.601 -5.779 426 HD1 PHE 55 HD1 PHE 55 -10.337 1.222 -7.664 427 HD2 PHE 55 HD2 PHE 55 -7.971 -0.477 -4.506 428 HE1 PHE 55 HE1 PHE 55 -11.084 -1.047 -8.326 429 HE2 PHE 55 HE2 PHE 55 -8.720 -2.747 -5.170 430 HZ PHE 55 HZ PHE 55 -10.276 -3.033 -7.079 431 H GLY 56 H GLY 56 -5.329 3.493 -5.794 432 HA2 GLY 56 HA2 GLY 56 -4.606 5.723 -6.010 433 HA3 GLY 56 HA3 GLY 56 -6.240 6.186 -6.472 434 H GLY 57 H GLY 57 -6.177 4.161 -3.756 435 HA2 GLY 57 HA2 GLY 57 -7.216 6.189 -2.034 436 HA3 GLY 57 HA3 GLY 57 -6.809 4.540 -1.568 437 H THR 58 H THR 58 -4.797 7.156 -2.907 438 HA THR 58 HA THR 58 -2.597 6.589 -1.219 439 HB THR 58 HB THR 58 -1.630 8.639 -2.100 440 HG1 THR 58 HG1 THR 58 -4.247 9.115 -3.085 441 HG21 THR 58 HG21 THR 58 -2.979 7.935 -4.566 442 HG22 THR 58 HG22 THR 58 -2.588 6.490 -3.632 443 HG23 THR 58 HG23 THR 58 -1.313 7.622 -4.080 444 H ASP 59 H ASP 59 -5.375 8.692 -0.890 445 HA ASP 59 HA ASP 59 -5.884 10.308 0.717 446 HB2 ASP 59 HB2 ASP 59 -5.075 7.868 2.313 447 HB3 ASP 59 HB3 ASP 59 -5.949 9.244 2.983 448 H ARG 60 H ARG 60 -3.716 8.881 2.994 449 HA ARG 60 HA ARG 60 -1.943 11.241 2.787 450 HB2 ARG 60 HB2 ARG 60 -1.705 11.216 5.189 451 HB3 ARG 60 HB3 ARG 60 -3.428 11.226 4.810 452 HG2 ARG 60 HG2 ARG 60 -3.404 8.710 5.019 453 HG3 ARG 60 HG3 ARG 60 -1.749 8.836 5.617 454 HD2 ARG 60 HD2 ARG 60 -2.590 10.385 7.410 455 HD3 ARG 60 HD3 ARG 60 -4.230 10.043 6.866 456 HE ARG 60 HE ARG 60 -2.882 7.604 7.374 457 HH11 ARG 60 HH11 ARG 60 -4.202 10.383 8.958 458 HH12 ARG 60 HH12 ARG 60 -4.557 9.544 10.432 459 HH21 ARG 60 HH21 ARG 60 -3.343 6.499 9.305 460 HH22 ARG 60 HH22 ARG 60 -4.071 7.347 10.628 461 H PHE 61 H PHE 61 -2.067 8.056 2.176 462 HA PHE 61 HA PHE 61 -0.131 6.636 3.361 463 HB2 PHE 61 HB2 PHE 61 -0.938 6.877 0.511 464 HB3 PHE 61 HB3 PHE 61 0.545 5.992 0.858 465 HD1 PHE 61 HD1 PHE 61 -3.007 6.291 2.007 466 HD2 PHE 61 HD2 PHE 61 0.413 3.744 1.497 467 HE1 PHE 61 HE1 PHE 61 -4.353 4.338 2.733 468 HE2 PHE 61 HE2 PHE 61 -0.932 1.791 2.223 469 HZ PHE 61 HZ PHE 61 -3.315 2.088 2.841 470 HA PRO 62 HA PRO 62 3.437 8.753 0.555 471 HB2 PRO 62 HB2 PRO 62 2.313 11.481 0.841 472 HB3 PRO 62 HB3 PRO 62 3.120 10.733 -0.547 473 HG2 PRO 62 HG2 PRO 62 0.357 11.097 -0.181 474 HG3 PRO 62 HG3 PRO 62 1.158 10.177 -1.459 475 HD2 PRO 62 HD2 PRO 62 -0.480 9.120 0.588 476 HD3 PRO 62 HD3 PRO 62 0.549 8.196 -0.526 477 H GLY 63 H GLY 63 5.200 9.354 1.757 478 HA2 GLY 63 HA2 GLY 63 5.523 11.191 3.724 479 HA3 GLY 63 HA3 GLY 63 4.814 9.827 4.585 480 H ARG 64 H ARG 64 7.593 11.159 4.431 481 HA ARG 64 HA ARG 64 9.474 9.405 3.344 482 HB2 ARG 64 HB2 ARG 64 9.983 11.669 4.235 483 HB3 ARG 64 HB3 ARG 64 9.764 11.045 5.871 484 HG2 ARG 64 HG2 ARG 64 11.556 9.368 5.436 485 HG3 ARG 64 HG3 ARG 64 11.815 10.094 3.850 486 HD2 ARG 64 HD2 ARG 64 12.087 11.531 6.505 487 HD3 ARG 64 HD3 ARG 64 13.424 10.971 5.506 488 HE ARG 64 HE ARG 64 11.893 13.357 5.104 489 HH11 ARG 64 HH11 ARG 64 13.571 10.781 3.514 490 HH12 ARG 64 HH12 ARG 64 13.933 11.709 2.097 491 HH21 ARG 64 HH21 ARG 64 12.366 14.578 3.251 492 HH22 ARG 64 HH22 ARG 64 13.252 13.857 1.948 493 H SER 65 H SER 65 7.725 9.282 6.391 494 HA SER 65 HA SER 65 9.196 7.373 7.773 495 HB2 SER 65 HB2 SER 65 6.183 7.637 7.715 496 HB3 SER 65 HB3 SER 65 7.141 6.877 8.983 497 HG SER 65 HG SER 65 6.477 9.171 9.262 498 H MET 66 H MET 66 6.956 6.967 5.095 499 HA MET 66 HA MET 66 6.450 4.229 5.269 500 HB2 MET 66 HB2 MET 66 6.782 5.998 2.837 501 HB3 MET 66 HB3 MET 66 6.171 4.344 2.775 502 HG2 MET 66 HG2 MET 66 4.947 6.535 4.476 503 HG3 MET 66 HG3 MET 66 4.358 6.084 2.877 504 HE1 MET 66 HE1 MET 66 2.529 4.711 6.420 505 HE2 MET 66 HE2 MET 66 2.974 6.239 5.665 506 HE3 MET 66 HE3 MET 66 4.150 5.378 6.656 507 H ARG 67 H ARG 67 9.239 5.949 3.943 508 HA ARG 67 HA ARG 67 10.519 3.752 2.727 509 HB2 ARG 67 HB2 ARG 67 11.696 6.248 3.973 510 HB3 ARG 67 HB3 ARG 67 12.584 5.119 2.947 511 HG2 ARG 67 HG2 ARG 67 10.922 5.512 1.131 512 HG3 ARG 67 HG3 ARG 67 10.134 6.718 2.150 513 HD2 ARG 67 HD2 ARG 67 12.344 7.928 2.281 514 HD3 ARG 67 HD3 ARG 67 12.965 6.802 1.077 515 HE ARG 67 HE ARG 67 10.757 7.753 -0.144 516 HH11 ARG 67 HH11 ARG 67 13.343 9.280 1.573 517 HH12 ARG 67 HH12 ARG 67 13.271 10.746 0.655 518 HH21 ARG 67 HH21 ARG 67 10.656 9.674 -1.354 519 HH22 ARG 67 HH22 ARG 67 11.750 10.970 -1.002 520 H ALA 68 H ALA 68 10.533 4.953 6.045 521 HA ALA 68 HA ALA 68 12.632 3.316 7.013 522 HB1 ALA 68 HB1 ALA 68 10.272 4.311 8.616 523 HB2 ALA 68 HB2 ALA 68 11.631 5.340 8.162 524 HB3 ALA 68 HB3 ALA 68 11.894 3.938 9.198 525 H ALA 69 H ALA 69 9.177 2.788 6.595 526 HA ALA 69 HA ALA 69 8.932 0.443 8.144 527 HB1 ALA 69 HB1 ALA 69 6.845 1.162 7.578 528 HB2 ALA 69 HB2 ALA 69 7.071 0.053 6.225 529 HB3 ALA 69 HB3 ALA 69 7.368 1.778 6.011 530 H HIS 70 H HIS 70 9.894 0.964 4.782 531 HA HIS 70 HA HIS 70 10.173 -1.916 4.349 532 HB2 HIS 70 HB2 HIS 70 10.646 0.434 2.500 533 HB3 HIS 70 HB3 HIS 70 10.750 -1.263 2.034 534 HD1 HIS 70 HD1 HIS 70 8.326 1.465 2.703 535 HD2 HIS 70 HD2 HIS 70 8.200 -2.659 2.106 536 HE1 HIS 70 HE1 HIS 70 5.902 0.879 2.266 537 H GLN 71 H GLN 71 12.062 0.772 5.303 538 HA GLN 71 HA GLN 71 14.590 0.107 4.289 539 HB2 GLN 71 HB2 GLN 71 13.977 2.239 5.467 540 HB3 GLN 71 HB3 GLN 71 14.028 1.348 6.988 541 HG2 GLN 71 HG2 GLN 71 16.372 0.743 6.580 542 HG3 GLN 71 HG3 GLN 71 16.331 1.583 5.030 543 HE21 GLN 71 HE21 GLN 71 18.242 2.516 6.746 544 HE22 GLN 71 HE22 GLN 71 17.773 3.990 7.446 545 H ASP 72 H ASP 72 12.865 -1.049 7.149 546 HA ASP 72 HA ASP 72 14.961 -2.425 8.399 547 HB2 ASP 72 HB2 ASP 72 12.000 -3.028 8.313 548 HB3 ASP 72 HB3 ASP 72 13.141 -3.841 9.381 549 H LEU 73 H LEU 73 12.765 -3.426 5.805 550 HA LEU 73 HA LEU 73 13.535 -6.136 5.687 551 HB2 LEU 73 HB2 LEU 73 12.589 -4.356 3.426 552 HB3 LEU 73 HB3 LEU 73 12.570 -6.118 3.440 553 HG LEU 73 HG LEU 73 11.041 -4.311 5.337 554 HD11 LEU 73 HD11 LEU 73 10.448 -5.109 2.718 555 HD12 LEU 73 HD12 LEU 73 9.307 -4.471 3.902 556 HD13 LEU 73 HD13 LEU 73 9.525 -6.213 3.738 557 HD21 LEU 73 HD21 LEU 73 11.403 -6.196 6.640 558 HD22 LEU 73 HD22 LEU 73 11.570 -7.258 5.242 559 HD23 LEU 73 HD23 LEU 73 9.971 -6.716 5.752 560 H VAL 74 H VAL 74 14.871 -3.228 4.200 561 HA VAL 74 HA VAL 74 16.693 -4.505 2.454 562 HB VAL 74 HB VAL 74 16.737 -1.773 3.749 563 HG11 VAL 74 HG11 VAL 74 18.637 -3.154 1.892 564 HG12 VAL 74 HG12 VAL 74 18.974 -1.998 3.180 565 HG13 VAL 74 HG13 VAL 74 18.319 -1.438 1.641 566 HG21 VAL 74 HG21 VAL 74 16.256 -2.421 0.849 567 HG22 VAL 74 HG22 VAL 74 15.737 -1.010 1.770 568 HG23 VAL 74 HG23 VAL 74 14.939 -2.564 2.012 569 H GLU 75 H GLU 75 16.992 -3.374 5.801 570 HA GLU 75 HA GLU 75 19.755 -3.888 6.093 571 HB2 GLU 75 HB2 GLU 75 17.534 -3.824 8.148 572 HB3 GLU 75 HB3 GLU 75 19.253 -3.873 8.539 573 HG2 GLU 75 HG2 GLU 75 17.916 -1.723 6.872 574 HG3 GLU 75 HG3 GLU 75 18.353 -1.556 8.571 575 H ASN 76 H ASN 76 16.903 -5.921 6.508 576 HA ASN 76 HA ASN 76 18.518 -8.147 7.488 577 HB2 ASN 76 HB2 ASN 76 15.557 -7.916 6.907 578 HB3 ASN 76 HB3 ASN 76 16.342 -9.331 7.607 579 HD21 ASN 76 HD21 ASN 76 14.324 -7.858 9.035 580 HD22 ASN 76 HD22 ASN 76 15.063 -7.124 10.376 581 H ALA 77 H ALA 77 16.157 -7.730 4.837 582 HA ALA 77 HA ALA 77 17.680 -9.736 3.292 583 HB1 ALA 77 HB1 ALA 77 14.857 -8.898 2.684 584 HB2 ALA 77 HB2 ALA 77 15.195 -10.109 3.922 585 HB3 ALA 77 HB3 ALA 77 15.685 -10.395 2.252 586 H GLY 78 H GLY 78 18.190 -9.334 1.138 587 HA2 GLY 78 HA2 GLY 78 18.455 -6.521 0.454 588 HA3 GLY 78 HA3 GLY 78 19.125 -7.885 -0.438 589 H LEU 79 H LEU 79 16.572 -5.628 -0.227 590 HA LEU 79 HA LEU 79 14.966 -7.081 -2.225 591 HB2 LEU 79 HB2 LEU 79 13.836 -6.214 -0.158 592 HB3 LEU 79 HB3 LEU 79 14.243 -4.581 -0.681 593 HG LEU 79 HG LEU 79 13.076 -5.269 -2.919 594 HD11 LEU 79 HD11 LEU 79 11.188 -6.889 -2.456 595 HD12 LEU 79 HD12 LEU 79 12.009 -7.317 -0.956 596 HD13 LEU 79 HD13 LEU 79 12.787 -7.628 -2.506 597 HD21 LEU 79 HD21 LEU 79 11.457 -4.870 -0.382 598 HD22 LEU 79 HD22 LEU 79 10.919 -4.509 -2.023 599 HD23 LEU 79 HD23 LEU 79 12.234 -3.580 -1.302 600 H THR 80 H THR 80 14.887 -6.414 -4.287 601 HA THR 80 HA THR 80 16.055 -3.774 -4.924 602 HB THR 80 HB THR 80 16.958 -4.712 -6.971 603 HG1 THR 80 HG1 THR 80 16.776 -7.180 -6.933 604 HG21 THR 80 HG21 THR 80 18.725 -5.183 -5.661 605 HG22 THR 80 HG22 THR 80 18.104 -6.829 -5.531 606 HG23 THR 80 HG23 THR 80 17.675 -5.626 -4.315 607 H ASP 81 H ASP 81 15.344 -2.984 -7.122 608 HA ASP 81 HA ASP 81 12.602 -2.561 -7.175 609 HB2 ASP 81 HB2 ASP 81 14.641 -2.373 -9.395 610 HB3 ASP 81 HB3 ASP 81 12.981 -1.800 -9.542 611 H VAL 82 H VAL 82 14.491 -5.087 -8.773 612 HA VAL 82 HA VAL 82 12.653 -6.036 -10.609 613 HB VAL 82 HB VAL 82 15.046 -6.867 -10.091 614 HG11 VAL 82 HG11 VAL 82 15.317 -8.613 -8.545 615 HG12 VAL 82 HG12 VAL 82 13.587 -8.950 -8.479 616 HG13 VAL 82 HG13 VAL 82 14.235 -7.511 -7.695 617 HG21 VAL 82 HG21 VAL 82 14.213 -9.288 -10.804 618 HG22 VAL 82 HG22 VAL 82 14.060 -7.922 -11.908 619 HG23 VAL 82 HG23 VAL 82 12.666 -8.460 -10.972 620 H HIS 83 H HIS 83 12.772 -6.602 -7.121 621 HA HIS 83 HA HIS 83 10.816 -8.604 -6.943 622 HB2 HIS 83 HB2 HIS 83 11.534 -6.397 -5.003 623 HB3 HIS 83 HB3 HIS 83 10.488 -7.761 -4.611 624 HD2 HIS 83 HD2 HIS 83 11.833 -10.283 -4.434 625 HE1 HIS 83 HE1 HIS 83 15.729 -8.681 -4.709 626 HE2 HIS 83 HE2 HIS 83 14.387 -10.775 -4.196 627 H PHE 84 H PHE 84 10.515 -5.068 -6.915 628 HA PHE 84 HA PHE 84 7.742 -4.921 -6.477 629 HB2 PHE 84 HB2 PHE 84 9.306 -2.987 -6.349 630 HB3 PHE 84 HB3 PHE 84 9.455 -3.028 -8.106 631 HD1 PHE 84 HD1 PHE 84 7.133 -2.429 -5.283 632 HD2 PHE 84 HD2 PHE 84 7.680 -2.246 -9.541 633 HE1 PHE 84 HE1 PHE 84 5.061 -1.083 -5.492 634 HE2 PHE 84 HE2 PHE 84 5.607 -0.900 -9.749 635 HZ PHE 84 HZ PHE 84 4.298 -0.319 -7.725 636 H ASP 85 H ASP 85 9.633 -5.151 -9.466 637 HA ASP 85 HA ASP 85 7.508 -4.890 -11.288 638 HB2 ASP 85 HB2 ASP 85 9.940 -4.800 -11.865 639 HB3 ASP 85 HB3 ASP 85 10.012 -6.548 -11.647 640 H ALA 86 H ALA 86 8.781 -7.699 -9.561 641 HA ALA 86 HA ALA 86 7.301 -9.658 -10.984 642 HB1 ALA 86 HB1 ALA 86 9.318 -9.872 -9.298 643 HB2 ALA 86 HB2 ALA 86 8.141 -11.176 -9.458 644 HB3 ALA 86 HB3 ALA 86 8.026 -10.046 -8.110 645 H ILE 87 H ILE 87 6.753 -8.394 -7.680 646 HA ILE 87 HA ILE 87 4.200 -9.558 -7.400 647 HB ILE 87 HB ILE 87 5.702 -8.631 -5.558 648 HG12 ILE 87 HG12 ILE 87 2.834 -7.653 -5.489 649 HG13 ILE 87 HG13 ILE 87 3.270 -9.355 -5.327 650 HG21 ILE 87 HG21 ILE 87 5.645 -6.330 -6.945 651 HG22 ILE 87 HG22 ILE 87 5.865 -6.365 -5.196 652 HG23 ILE 87 HG23 ILE 87 4.273 -6.036 -5.878 653 HD11 ILE 87 HD11 ILE 87 4.223 -7.102 -3.533 654 HD12 ILE 87 HD12 ILE 87 4.702 -8.794 -3.385 655 HD13 ILE 87 HD13 ILE 87 3.024 -8.325 -3.110 656 H ALA 88 H ALA 88 5.265 -6.623 -8.937 657 HA ALA 88 HA ALA 88 2.830 -5.196 -8.938 658 HB1 ALA 88 HB1 ALA 88 3.835 -4.127 -11.040 659 HB2 ALA 88 HB2 ALA 88 5.225 -5.178 -10.768 660 HB3 ALA 88 HB3 ALA 88 4.767 -3.987 -9.550 661 H GLU 89 H GLU 89 4.185 -7.542 -11.245 662 HA GLU 89 HA GLU 89 2.083 -7.351 -13.137 663 HB2 GLU 89 HB2 GLU 89 4.040 -9.579 -12.542 664 HB3 GLU 89 HB3 GLU 89 2.926 -9.587 -13.911 665 HG2 GLU 89 HG2 GLU 89 3.900 -7.450 -14.699 666 HG3 GLU 89 HG3 GLU 89 5.041 -7.487 -13.356 667 H ASN 90 H ASN 90 2.538 -9.306 -10.240 668 HA ASN 90 HA ASN 90 0.481 -11.163 -10.600 669 HB2 ASN 90 HB2 ASN 90 1.502 -9.888 -8.054 670 HB3 ASN 90 HB3 ASN 90 0.449 -11.300 -8.112 671 HD21 ASN 90 HD21 ASN 90 3.060 -11.467 -6.961 672 HD22 ASN 90 HD22 ASN 90 4.021 -12.452 -7.953 673 H LEU 91 H LEU 91 0.395 -7.850 -9.371 674 HA LEU 91 HA LEU 91 -2.288 -7.851 -8.486 675 HB2 LEU 91 HB2 LEU 91 -0.614 -6.101 -7.910 676 HB3 LEU 91 HB3 LEU 91 -0.691 -5.523 -9.574 677 HG LEU 91 HG LEU 91 -3.155 -5.170 -9.287 678 HD11 LEU 91 HD11 LEU 91 -2.496 -6.388 -6.667 679 HD12 LEU 91 HD12 LEU 91 -4.014 -6.397 -7.564 680 HD13 LEU 91 HD13 LEU 91 -3.568 -4.990 -6.600 681 HD21 LEU 91 HD21 LEU 91 -2.879 -3.071 -8.306 682 HD22 LEU 91 HD22 LEU 91 -1.215 -3.466 -8.733 683 HD23 LEU 91 HD23 LEU 91 -1.773 -3.680 -7.074 684 H VAL 92 H VAL 92 -0.812 -7.155 -11.625 685 HA VAL 92 HA VAL 92 -3.142 -6.201 -12.912 686 HB VAL 92 HB VAL 92 -0.663 -7.542 -14.010 687 HG11 VAL 92 HG11 VAL 92 -1.986 -7.804 -15.855 688 HG12 VAL 92 HG12 VAL 92 -1.680 -6.081 -16.065 689 HG13 VAL 92 HG13 VAL 92 -3.171 -6.624 -15.297 690 HG21 VAL 92 HG21 VAL 92 -1.551 -4.640 -13.971 691 HG22 VAL 92 HG22 VAL 92 -0.012 -5.256 -14.571 692 HG23 VAL 92 HG23 VAL 92 -0.384 -5.342 -12.850 693 H LEU 93 H LEU 93 -1.735 -9.450 -12.650 694 HA LEU 93 HA LEU 93 -3.552 -10.775 -14.341 695 HB2 LEU 93 HB2 LEU 93 -2.083 -11.850 -11.921 696 HB3 LEU 93 HB3 LEU 93 -2.825 -12.823 -13.191 697 HG LEU 93 HG LEU 93 -0.582 -10.820 -13.585 698 HD11 LEU 93 HD11 LEU 93 0.806 -12.769 -14.037 699 HD12 LEU 93 HD12 LEU 93 -0.578 -13.842 -13.826 700 HD13 LEU 93 HD13 LEU 93 0.067 -12.952 -12.446 701 HD21 LEU 93 HD21 LEU 93 -2.319 -12.396 -15.441 702 HD22 LEU 93 HD22 LEU 93 -0.619 -12.193 -15.868 703 HD23 LEU 93 HD23 LEU 93 -1.646 -10.779 -15.640 704 H THR 94 H THR 94 -3.720 -9.932 -10.921 705 HA THR 94 HA THR 94 -5.967 -11.468 -10.219 706 HB THR 94 HB THR 94 -5.179 -8.754 -9.137 707 HG1 THR 94 HG1 THR 94 -4.318 -11.388 -8.600 708 HG21 THR 94 HG21 THR 94 -7.261 -10.688 -8.491 709 HG22 THR 94 HG22 THR 94 -7.046 -9.039 -7.905 710 HG23 THR 94 HG23 THR 94 -6.205 -10.372 -7.114 711 H LEU 95 H LEU 95 -5.703 -8.231 -11.637 712 HA LEU 95 HA LEU 95 -8.429 -7.534 -11.486 713 HB2 LEU 95 HB2 LEU 95 -6.386 -6.694 -13.559 714 HB3 LEU 95 HB3 LEU 95 -7.911 -5.879 -13.218 715 HG LEU 95 HG LEU 95 -5.622 -6.254 -11.261 716 HD11 LEU 95 HD11 LEU 95 -5.156 -4.558 -12.976 717 HD12 LEU 95 HD12 LEU 95 -5.462 -3.782 -11.421 718 HD13 LEU 95 HD13 LEU 95 -6.714 -3.794 -12.662 719 HD21 LEU 95 HD21 LEU 95 -8.439 -5.262 -11.005 720 HD22 LEU 95 HD22 LEU 95 -7.182 -4.474 -10.053 721 HD23 LEU 95 HD23 LEU 95 -7.478 -6.202 -9.864 722 H GLN 96 H GLN 96 -6.610 -9.389 -13.888 723 HA GLN 96 HA GLN 96 -8.589 -9.489 -15.890 724 HB2 GLN 96 HB2 GLN 96 -6.327 -11.334 -15.144 725 HB3 GLN 96 HB3 GLN 96 -7.435 -11.733 -16.457 726 HG2 GLN 96 HG2 GLN 96 -5.569 -10.580 -17.441 727 HG3 GLN 96 HG3 GLN 96 -6.927 -9.458 -17.447 728 HE21 GLN 96 HE21 GLN 96 -6.955 -7.813 -15.635 729 HE22 GLN 96 HE22 GLN 96 -5.475 -7.304 -14.980 730 H GLU 97 H GLU 97 -8.118 -11.371 -12.956 731 HA GLU 97 HA GLU 97 -9.992 -13.418 -13.481 732 HB2 GLU 97 HB2 GLU 97 -9.078 -12.218 -10.856 733 HB3 GLU 97 HB3 GLU 97 -10.020 -13.701 -11.006 734 HG2 GLU 97 HG2 GLU 97 -8.219 -14.673 -12.417 735 HG3 GLU 97 HG3 GLU 97 -7.269 -13.208 -12.180 736 H LEU 98 H LEU 98 -10.326 -10.137 -12.296 737 HA LEU 98 HA LEU 98 -13.100 -10.483 -11.531 738 HB2 LEU 98 HB2 LEU 98 -11.487 -7.939 -11.834 739 HB3 LEU 98 HB3 LEU 98 -13.036 -8.108 -11.006 740 HG LEU 98 HG LEU 98 -10.431 -9.450 -10.220 741 HD11 LEU 98 HD11 LEU 98 -11.710 -6.930 -9.522 742 HD12 LEU 98 HD12 LEU 98 -10.102 -7.519 -9.099 743 HD13 LEU 98 HD13 LEU 98 -11.492 -7.954 -8.103 744 HD21 LEU 98 HD21 LEU 98 -11.993 -9.946 -8.141 745 HD22 LEU 98 HD22 LEU 98 -12.028 -11.008 -9.549 746 HD23 LEU 98 HD23 LEU 98 -13.281 -9.784 -9.336 747 H ASN 99 H ASN 99 -11.603 -10.320 -14.449 748 HA ASN 99 HA ASN 99 -12.327 -9.883 -16.586 749 HB2 ASN 99 HB2 ASN 99 -14.361 -11.109 -15.600 750 HB3 ASN 99 HB3 ASN 99 -15.094 -9.513 -15.453 751 HD21 ASN 99 HD21 ASN 99 -16.301 -8.922 -17.254 752 HD22 ASN 99 HD22 ASN 99 -16.026 -9.474 -18.835 753 H VAL 100 H VAL 100 -11.154 -7.762 -15.470 754 HA VAL 100 HA VAL 100 -12.936 -5.448 -15.832 755 HB VAL 100 HB VAL 100 -10.098 -5.563 -14.785 756 HG11 VAL 100 HG11 VAL 100 -10.524 -3.374 -15.627 757 HG12 VAL 100 HG12 VAL 100 -10.814 -3.272 -13.890 758 HG13 VAL 100 HG13 VAL 100 -12.175 -3.377 -15.007 759 HG21 VAL 100 HG21 VAL 100 -12.351 -4.875 -12.997 760 HG22 VAL 100 HG22 VAL 100 -10.937 -5.884 -12.688 761 HG23 VAL 100 HG23 VAL 100 -12.328 -6.553 -13.541 762 H SER 101 H SER 101 -12.665 -3.979 -17.447 763 HA SER 101 HA SER 101 -11.500 -4.720 -19.862 764 HB2 SER 101 HB2 SER 101 -13.208 -2.946 -19.626 765 HB3 SER 101 HB3 SER 101 -12.006 -1.906 -18.867 766 HG SER 101 HG SER 101 -11.785 -1.353 -20.924 767 H GLN 102 H GLN 102 -9.556 -4.406 -20.824 768 HA GLN 102 HA GLN 102 -7.237 -4.207 -19.274 769 HB2 GLN 102 HB2 GLN 102 -7.406 -5.220 -21.561 770 HB3 GLN 102 HB3 GLN 102 -7.467 -3.585 -22.224 771 HG2 GLN 102 HG2 GLN 102 -5.175 -4.251 -22.333 772 HG3 GLN 102 HG3 GLN 102 -5.291 -3.134 -20.976 773 HE21 GLN 102 HE21 GLN 102 -4.288 -3.881 -19.111 774 HE22 GLN 102 HE22 GLN 102 -4.055 -5.517 -18.717 775 H ASP 103 H ASP 103 -9.019 -1.728 -21.060 776 HA ASP 103 HA ASP 103 -7.137 0.333 -20.966 777 HB2 ASP 103 HB2 ASP 103 -10.155 0.444 -20.847 778 HB3 ASP 103 HB3 ASP 103 -9.127 1.858 -21.069 779 H LEU 104 H LEU 104 -9.593 -0.600 -18.567 780 HA LEU 104 HA LEU 104 -8.989 1.511 -16.749 781 HB2 LEU 104 HB2 LEU 104 -10.265 -1.183 -16.214 782 HB3 LEU 104 HB3 LEU 104 -10.300 0.208 -15.132 783 HG LEU 104 HG LEU 104 -11.468 0.109 -17.931 784 HD11 LEU 104 HD11 LEU 104 -12.890 -1.124 -16.455 785 HD12 LEU 104 HD12 LEU 104 -13.614 0.479 -16.593 786 HD13 LEU 104 HD13 LEU 104 -12.680 0.053 -15.159 787 HD21 LEU 104 HD21 LEU 104 -12.494 2.338 -16.884 788 HD22 LEU 104 HD22 LEU 104 -10.933 2.353 -17.705 789 HD23 LEU 104 HD23 LEU 104 -11.002 2.299 -15.944 790 H ILE 105 H ILE 105 -7.856 -1.816 -17.108 791 HA ILE 105 HA ILE 105 -6.369 -1.958 -14.709 792 HB ILE 105 HB ILE 105 -5.944 -3.393 -17.340 793 HG12 ILE 105 HG12 ILE 105 -7.347 -4.289 -14.805 794 HG13 ILE 105 HG13 ILE 105 -8.187 -3.666 -16.224 795 HG21 ILE 105 HG21 ILE 105 -4.474 -3.384 -14.817 796 HG22 ILE 105 HG22 ILE 105 -4.045 -4.126 -16.359 797 HG23 ILE 105 HG23 ILE 105 -5.081 -4.990 -15.222 798 HD11 ILE 105 HD11 ILE 105 -7.726 -5.540 -17.491 799 HD12 ILE 105 HD12 ILE 105 -7.772 -6.281 -15.893 800 HD13 ILE 105 HD13 ILE 105 -6.224 -5.880 -16.634 801 H ASP 106 H ASP 106 -5.566 -0.787 -17.943 802 HA ASP 106 HA ASP 106 -2.796 -0.511 -17.637 803 HB2 ASP 106 HB2 ASP 106 -4.766 1.135 -19.238 804 HB3 ASP 106 HB3 ASP 106 -3.015 1.284 -19.380 805 H GLU 107 H GLU 107 -5.451 1.645 -16.729 806 HA GLU 107 HA GLU 107 -3.855 3.847 -15.937 807 HB2 GLU 107 HB2 GLU 107 -6.612 2.980 -15.033 808 HB3 GLU 107 HB3 GLU 107 -5.878 4.539 -14.655 809 HG2 GLU 107 HG2 GLU 107 -5.644 4.997 -17.085 810 HG3 GLU 107 HG3 GLU 107 -6.450 3.467 -17.432 811 H VAL 108 H VAL 108 -4.942 0.943 -14.271 812 HA VAL 108 HA VAL 108 -4.240 1.703 -11.642 813 HB VAL 108 HB VAL 108 -4.402 -1.021 -12.948 814 HG11 VAL 108 HG11 VAL 108 -4.710 -1.645 -10.416 815 HG12 VAL 108 HG12 VAL 108 -3.818 -0.150 -10.131 816 HG13 VAL 108 HG13 VAL 108 -3.082 -1.451 -11.068 817 HG21 VAL 108 HG21 VAL 108 -6.393 -0.457 -10.959 818 HG22 VAL 108 HG22 VAL 108 -6.625 -0.761 -12.680 819 HG23 VAL 108 HG23 VAL 108 -6.350 0.883 -12.105 820 H VAL 109 H VAL 109 -2.401 0.166 -14.243 821 HA VAL 109 HA VAL 109 -0.101 -0.506 -12.782 822 HB VAL 109 HB VAL 109 -0.457 0.246 -15.688 823 HG11 VAL 109 HG11 VAL 109 1.951 -0.719 -14.142 824 HG12 VAL 109 HG12 VAL 109 1.845 0.628 -15.276 825 HG13 VAL 109 HG13 VAL 109 1.781 -1.032 -15.869 826 HG21 VAL 109 HG21 VAL 109 -1.627 -1.794 -14.956 827 HG22 VAL 109 HG22 VAL 109 -0.133 -2.405 -14.243 828 HG23 VAL 109 HG23 VAL 109 -0.261 -2.209 -15.992 829 H THR 110 H THR 110 -1.003 2.491 -14.450 830 HA THR 110 HA THR 110 1.432 3.858 -14.140 831 HB THR 110 HB THR 110 -1.351 5.045 -14.159 832 HG1 THR 110 HG1 THR 110 0.426 4.283 -16.228 833 HG21 THR 110 HG21 THR 110 -0.009 6.922 -15.307 834 HG22 THR 110 HG22 THR 110 1.420 6.129 -14.647 835 HG23 THR 110 HG23 THR 110 0.176 6.750 -13.562 836 H ILE 111 H ILE 111 -1.392 3.624 -12.004 837 HA ILE 111 HA ILE 111 -0.600 5.505 -10.080 838 HB ILE 111 HB ILE 111 -2.185 2.953 -9.698 839 HG12 ILE 111 HG12 ILE 111 -3.104 5.808 -10.169 840 HG13 ILE 111 HG13 ILE 111 -3.074 4.555 -11.409 841 HG21 ILE 111 HG21 ILE 111 -3.055 4.907 -7.910 842 HG22 ILE 111 HG22 ILE 111 -1.297 5.052 -7.872 843 HG23 ILE 111 HG23 ILE 111 -2.061 3.505 -7.510 844 HD11 ILE 111 HD11 ILE 111 -5.311 4.613 -10.519 845 HD12 ILE 111 HD12 ILE 111 -4.711 4.573 -8.861 846 HD13 ILE 111 HD13 ILE 111 -4.541 3.153 -9.895 847 H VAL 112 H VAL 112 -0.070 1.977 -10.144 848 HA VAL 112 HA VAL 112 1.682 2.104 -7.838 849 HB VAL 112 HB VAL 112 1.899 -0.306 -8.135 850 HG11 VAL 112 HG11 VAL 112 -0.125 0.479 -7.024 851 HG12 VAL 112 HG12 VAL 112 -0.527 -0.905 -8.040 852 HG13 VAL 112 HG13 VAL 112 -0.918 0.728 -8.580 853 HG21 VAL 112 HG21 VAL 112 0.659 0.339 -10.803 854 HG22 VAL 112 HG22 VAL 112 0.457 -1.263 -10.094 855 HG23 VAL 112 HG23 VAL 112 2.073 -0.657 -10.455 856 H GLY 113 H GLY 113 1.965 2.264 -11.269 857 HA2 GLY 113 HA2 GLY 113 4.754 1.487 -11.362 858 HA3 GLY 113 HA3 GLY 113 3.792 2.108 -12.701 859 H SER 114 H SER 114 3.501 4.031 -9.925 860 HA SER 114 HA SER 114 4.611 6.315 -11.123 861 HB2 SER 114 HB2 SER 114 4.183 5.747 -8.181 862 HB3 SER 114 HB3 SER 114 4.458 7.336 -8.887 863 HG SER 114 HG SER 114 2.493 7.315 -9.729 864 H VAL 115 H VAL 115 6.598 7.263 -11.048 865 HA VAL 115 HA VAL 115 8.860 5.615 -10.525 866 HB VAL 115 HB VAL 115 8.617 8.573 -11.104 867 HG11 VAL 115 HG11 VAL 115 11.122 8.094 -11.773 868 HG12 VAL 115 HG12 VAL 115 10.977 6.789 -10.595 869 HG13 VAL 115 HG13 VAL 115 10.715 8.459 -10.095 870 HG21 VAL 115 HG21 VAL 115 9.104 7.982 -13.346 871 HG22 VAL 115 HG22 VAL 115 7.950 6.755 -12.825 872 HG23 VAL 115 HG23 VAL 115 9.671 6.376 -12.889 873 H GLN 116 H GLN 116 7.393 8.352 -8.803 874 HA GLN 116 HA GLN 116 9.362 8.683 -6.834 875 HB2 GLN 116 HB2 GLN 116 7.434 10.231 -7.283 876 HB3 GLN 116 HB3 GLN 116 6.390 9.077 -6.452 877 HG2 GLN 116 HG2 GLN 116 7.928 9.245 -4.459 878 HG3 GLN 116 HG3 GLN 116 8.761 10.557 -5.288 879 HE21 GLN 116 HE21 GLN 116 6.552 10.138 -2.920 880 HE22 GLN 116 HE22 GLN 116 5.578 11.506 -3.162 881 H HIS 117 H HIS 117 6.491 6.587 -6.879 882 HA HIS 117 HA HIS 117 6.726 5.603 -4.250 883 HB2 HIS 117 HB2 HIS 117 4.740 5.334 -5.781 884 HB3 HIS 117 HB3 HIS 117 5.646 4.081 -6.630 885 HD1 HIS 117 HD1 HIS 117 5.822 4.522 -2.889 886 HD2 HIS 117 HD2 HIS 117 4.065 1.944 -5.652 887 HE1 HIS 117 HE1 HIS 117 4.893 2.581 -1.559 888 H ARG 118 H ARG 118 8.059 4.433 -7.322 889 HA ARG 118 HA ARG 118 9.220 2.060 -6.394 890 HB2 ARG 118 HB2 ARG 118 9.029 2.682 -8.785 891 HB3 ARG 118 HB3 ARG 118 10.271 3.912 -8.547 892 HG2 ARG 118 HG2 ARG 118 11.852 2.144 -7.806 893 HG3 ARG 118 HG3 ARG 118 10.612 0.928 -8.121 894 HD2 ARG 118 HD2 ARG 118 10.527 1.682 -10.494 895 HD3 ARG 118 HD3 ARG 118 11.840 2.807 -10.158 896 HE ARG 118 HE ARG 118 12.649 0.226 -9.365 897 HH11 ARG 118 HH11 ARG 118 11.847 2.056 -12.191 898 HH12 ARG 118 HH12 ARG 118 12.896 1.161 -13.238 899 HH21 ARG 118 HH21 ARG 118 14.028 -0.952 -10.730 900 HH22 ARG 118 HH22 ARG 118 14.133 -0.543 -12.410 901 H ASN 119 H ASN 119 10.426 5.384 -6.385 902 HA ASN 119 HA ASN 119 13.061 4.885 -5.569 903 HB2 ASN 119 HB2 ASN 119 11.264 7.248 -4.984 904 HB3 ASN 119 HB3 ASN 119 13.004 7.219 -4.700 905 HD21 ASN 119 HD21 ASN 119 11.835 9.073 -6.543 906 HD22 ASN 119 HD22 ASN 119 12.341 8.657 -8.109 907 H ASP 120 H ASP 120 10.076 5.184 -3.703 908 HA ASP 120 HA ASP 120 11.194 5.321 -1.133 909 HB2 ASP 120 HB2 ASP 120 8.582 4.114 -2.066 910 HB3 ASP 120 HB3 ASP 120 9.006 4.372 -0.375 911 H VAL 121 H VAL 121 10.485 2.559 -3.216 912 HA VAL 121 HA VAL 121 10.897 0.511 -1.330 913 HB VAL 121 HB VAL 121 11.323 0.561 -4.324 914 HG11 VAL 121 HG11 VAL 121 12.648 -1.253 -3.469 915 HG12 VAL 121 HG12 VAL 121 11.143 -1.961 -4.058 916 HG13 VAL 121 HG13 VAL 121 11.386 -1.716 -2.328 917 HG21 VAL 121 HG21 VAL 121 9.112 -0.755 -2.737 918 HG22 VAL 121 HG22 VAL 121 9.137 -0.358 -4.456 919 HG23 VAL 121 HG23 VAL 121 9.001 0.927 -3.257 920 H LEU 122 H LEU 122 13.156 2.197 -3.486 921 HA LEU 122 HA LEU 122 15.421 0.659 -2.522 922 HB2 LEU 122 HB2 LEU 122 15.333 3.106 -4.304 923 HB3 LEU 122 HB3 LEU 122 16.737 2.076 -4.027 924 HG LEU 122 HG LEU 122 14.114 1.198 -5.272 925 HD11 LEU 122 HD11 LEU 122 16.181 0.718 -7.049 926 HD12 LEU 122 HD12 LEU 122 16.629 2.268 -6.338 927 HD13 LEU 122 HD13 LEU 122 15.064 2.081 -7.129 928 HD21 LEU 122 HD21 LEU 122 16.545 -0.247 -4.297 929 HD22 LEU 122 HD22 LEU 122 15.797 -0.816 -5.789 930 HD23 LEU 122 HD23 LEU 122 14.859 -0.764 -4.296 931 H ASN 123 H ASN 123 13.673 3.311 -1.423 932 HA ASN 123 HA ASN 123 14.026 4.863 0.230 933 HB2 ASN 123 HB2 ASN 123 16.278 2.968 0.934 934 HB3 ASN 123 HB3 ASN 123 15.703 4.279 1.962 935 HD21 ASN 123 HD21 ASN 123 15.566 1.534 2.798 936 HD22 ASN 123 HD22 ASN 123 13.930 1.095 2.898 937 H ARG 124 H ARG 124 15.051 5.545 -2.253 938 HA ARG 124 HA ARG 124 17.721 6.659 -1.760 939 HB2 ARG 124 HB2 ARG 124 16.020 6.654 -4.267 940 HB3 ARG 124 HB3 ARG 124 17.676 7.246 -4.153 941 HG2 ARG 124 HG2 ARG 124 16.950 4.421 -3.369 942 HG3 ARG 124 HG3 ARG 124 17.348 4.845 -5.034 943 HD2 ARG 124 HD2 ARG 124 19.497 5.869 -4.125 944 HD3 ARG 124 HD3 ARG 124 19.114 5.099 -2.588 945 HE ARG 124 HE ARG 124 19.944 3.757 -5.045 946 HH11 ARG 124 HH11 ARG 124 18.640 3.572 -1.844 947 HH12 ARG 124 HH12 ARG 124 19.034 1.898 -1.633 948 HH21 ARG 124 HH21 ARG 124 20.465 1.565 -4.774 949 HH22 ARG 124 HH22 ARG 124 20.066 0.762 -3.292 950 HHA HEB 125 HHA HEB 125 3.852 -1.604 6.422 951 HHB HEB 125 HHB HEB 125 1.999 2.049 1.597 952 HHC HEB 125 HHC HEB 125 5.081 -1.752 -2.440 953 HHD HEB 125 HHD HEB 125 6.846 -5.430 2.366 954 HMA1 HEB 125 HMA1 HEB 125 1.510 2.910 5.229 955 HMA2 HEB 125 HMA2 HEB 125 0.384 2.252 4.041 956 HMA3 HEB 125 HMA3 HEB 125 1.775 3.200 3.514 957 HAA1 HEB 125 HAA1 HEB 125 2.111 -0.330 7.075 958 HAA2 HEB 125 HAA2 HEB 125 1.394 1.228 6.712 959 HBA1 HEB 125 HBA1 HEB 125 3.499 2.355 7.072 960 HBA2 HEB 125 HBA2 HEB 125 4.349 0.819 7.217 961 HMB1 HEB 125 HMB1 HEB 125 1.046 2.158 -1.017 962 HMB2 HEB 125 HMB2 HEB 125 2.334 2.710 -2.087 963 HMB3 HEB 125 HMB3 HEB 125 2.345 3.168 -0.383 964 HAB2 HEB 125 HAB2 HEB 125 4.104 -0.252 -3.588 965 HBB1 HEB 125 HBB1 HEB 125 1.978 1.580 -4.150 966 HBB2 HEB 125 HBB2 HEB 125 1.436 0.404 -2.953 967 HBB3 HEB 125 HBB3 HEB 125 2.075 -0.145 -4.503 968 HMC1 HEB 125 HMC1 HEB 125 7.069 -4.956 -2.772 969 HMC2 HEB 125 HMC2 HEB 125 7.245 -3.213 -2.969 970 HMC3 HEB 125 HMC3 HEB 125 5.675 -3.975 -3.222 971 HAC HEB 125 HAC HEB 125 8.344 -5.792 0.255 972 HBC1 HEB 125 HBC1 HEB 125 5.989 -6.822 -1.464 973 HBC2 HEB 125 HBC2 HEB 125 7.535 -7.746 -1.008 974 HMD1 HEB 125 HMD1 HEB 125 6.532 -6.518 4.307 975 HMD2 HEB 125 HMD2 HEB 125 6.327 -6.180 6.020 976 HMD3 HEB 125 HMD3 HEB 125 7.745 -5.572 5.168 977 HAD1 HEB 125 HAD1 HEB 125 5.358 -2.860 7.544 978 HAD2 HEB 125 HAD2 HEB 125 6.092 -4.448 7.431 979 HBD1 HEB 125 HBD1 HEB 125 4.037 -5.550 7.504 980 HBD2 HEB 125 HBD2 HEB 125 3.146 -4.133 6.951 Start of MODEL 15 1 H1 ALA 2 H1 ALA 2 -11.770 8.774 -0.064 2 H2 ALA 2 H2 ALA 2 -12.536 8.768 -1.580 3 H3 ALA 2 H3 ALA 2 -11.311 7.642 -1.240 4 HA ALA 2 HA ALA 2 -13.684 7.689 0.481 5 HB1 ALA 2 HB1 ALA 2 -13.534 6.546 -2.320 6 HB2 ALA 2 HB2 ALA 2 -14.709 7.703 -1.698 7 HB3 ALA 2 HB3 ALA 2 -14.729 6.034 -1.129 8 H SER 3 H SER 3 -14.200 5.044 0.424 9 HA SER 3 HA SER 3 -11.605 3.790 1.098 10 HB2 SER 3 HB2 SER 3 -13.019 4.281 3.085 11 HB3 SER 3 HB3 SER 3 -14.291 3.276 2.397 12 HG SER 3 HG SER 3 -12.971 2.102 3.845 13 H LEU 4 H LEU 4 -11.285 1.657 0.506 14 HA LEU 4 HA LEU 4 -12.427 0.743 -1.865 15 HB2 LEU 4 HB2 LEU 4 -10.265 -0.053 -0.912 16 HB3 LEU 4 HB3 LEU 4 -11.169 -0.956 0.301 17 HG LEU 4 HG LEU 4 -12.363 -2.141 -1.575 18 HD11 LEU 4 HD11 LEU 4 -10.481 -0.410 -3.144 19 HD12 LEU 4 HD12 LEU 4 -12.154 -0.841 -3.491 20 HD13 LEU 4 HD13 LEU 4 -10.869 -2.016 -3.758 21 HD21 LEU 4 HD21 LEU 4 -10.347 -3.535 -2.200 22 HD22 LEU 4 HD22 LEU 4 -10.538 -3.271 -0.467 23 HD23 LEU 4 HD23 LEU 4 -9.346 -2.341 -1.373 24 H TYR 5 H TYR 5 -13.314 0.105 1.488 25 HA TYR 5 HA TYR 5 -15.117 -1.993 1.126 26 HB2 TYR 5 HB2 TYR 5 -14.400 -1.248 3.337 27 HB3 TYR 5 HB3 TYR 5 -15.229 0.292 3.108 28 HD1 TYR 5 HD1 TYR 5 -15.705 -3.356 3.549 29 HD2 TYR 5 HD2 TYR 5 -17.619 0.481 3.305 30 HE1 TYR 5 HE1 TYR 5 -17.818 -4.355 4.378 31 HE2 TYR 5 HE2 TYR 5 -19.731 -0.519 4.134 32 HH TYR 5 HH TYR 5 -20.421 -2.502 5.478 33 H GLU 6 H GLU 6 -15.649 1.514 0.924 34 HA GLU 6 HA GLU 6 -18.446 1.376 0.488 35 HB2 GLU 6 HB2 GLU 6 -16.430 3.498 -0.279 36 HB3 GLU 6 HB3 GLU 6 -18.179 3.699 -0.374 37 HG2 GLU 6 HG2 GLU 6 -18.345 3.208 2.057 38 HG3 GLU 6 HG3 GLU 6 -16.587 3.092 2.133 39 H LYS 7 H LYS 7 -15.669 1.295 -1.693 40 HA LYS 7 HA LYS 7 -17.066 1.627 -4.117 41 HB2 LYS 7 HB2 LYS 7 -14.499 0.136 -3.527 42 HB3 LYS 7 HB3 LYS 7 -15.079 0.537 -5.145 43 HG2 LYS 7 HG2 LYS 7 -15.098 2.947 -4.500 44 HG3 LYS 7 HG3 LYS 7 -14.400 2.505 -2.942 45 HD2 LYS 7 HD2 LYS 7 -12.477 1.458 -4.158 46 HD3 LYS 7 HD3 LYS 7 -13.152 2.071 -5.670 47 HE2 LYS 7 HE2 LYS 7 -13.146 4.295 -3.987 48 HE3 LYS 7 HE3 LYS 7 -11.623 3.482 -3.625 49 HZ1 LYS 7 HZ1 LYS 7 -10.912 3.660 -5.801 50 HZ2 LYS 7 HZ2 LYS 7 -11.710 5.141 -5.564 51 HZ3 LYS 7 HZ3 LYS 7 -12.476 3.887 -6.417 52 H LEU 8 H LEU 8 -16.002 -1.379 -2.494 53 HA LEU 8 HA LEU 8 -17.332 -3.079 -4.368 54 HB2 LEU 8 HB2 LEU 8 -16.369 -3.693 -1.562 55 HB3 LEU 8 HB3 LEU 8 -16.803 -4.880 -2.792 56 HG LEU 8 HG LEU 8 -14.548 -2.856 -2.972 57 HD11 LEU 8 HD11 LEU 8 -13.591 -4.523 -1.718 58 HD12 LEU 8 HD12 LEU 8 -13.406 -5.278 -3.300 59 HD13 LEU 8 HD13 LEU 8 -14.750 -5.738 -2.256 60 HD21 LEU 8 HD21 LEU 8 -15.193 -3.071 -5.198 61 HD22 LEU 8 HD22 LEU 8 -15.827 -4.700 -4.964 62 HD23 LEU 8 HD23 LEU 8 -14.085 -4.435 -5.052 63 H GLY 9 H GLY 9 -18.181 -1.744 -1.212 64 HA2 GLY 9 HA2 GLY 9 -20.269 -1.429 -0.267 65 HA3 GLY 9 HA3 GLY 9 -20.985 -2.066 -1.744 66 H GLY 10 H GLY 10 -18.566 -3.892 -0.008 67 HA2 GLY 10 HA2 GLY 10 -20.402 -5.417 1.587 68 HA3 GLY 10 HA3 GLY 10 -19.938 -6.272 0.119 69 H ALA 11 H ALA 11 -19.265 -6.166 3.259 70 HA ALA 11 HA ALA 11 -16.446 -5.950 3.414 71 HB1 ALA 11 HB1 ALA 11 -17.419 -7.821 5.347 72 HB2 ALA 11 HB2 ALA 11 -18.593 -6.515 5.186 73 HB3 ALA 11 HB3 ALA 11 -16.917 -6.148 5.593 74 H ALA 12 H ALA 12 -18.613 -8.692 2.844 75 HA ALA 12 HA ALA 12 -16.634 -10.713 2.920 76 HB1 ALA 12 HB1 ALA 12 -18.684 -11.429 1.071 77 HB2 ALA 12 HB2 ALA 12 -19.430 -10.543 2.400 78 HB3 ALA 12 HB3 ALA 12 -18.468 -11.982 2.731 79 H ALA 13 H ALA 13 -17.851 -8.644 0.333 80 HA ALA 13 HA ALA 13 -16.550 -9.947 -1.816 81 HB1 ALA 13 HB1 ALA 13 -17.076 -8.013 -3.103 82 HB2 ALA 13 HB2 ALA 13 -17.158 -6.993 -1.666 83 HB3 ALA 13 HB3 ALA 13 -18.403 -8.208 -1.959 84 H VAL 14 H VAL 14 -15.533 -7.420 0.429 85 HA VAL 14 HA VAL 14 -13.143 -6.680 -0.885 86 HB VAL 14 HB VAL 14 -13.845 -6.626 2.059 87 HG11 VAL 14 HG11 VAL 14 -12.058 -4.771 2.004 88 HG12 VAL 14 HG12 VAL 14 -11.553 -5.473 0.467 89 HG13 VAL 14 HG13 VAL 14 -11.484 -6.437 1.942 90 HG21 VAL 14 HG21 VAL 14 -14.979 -5.228 -0.041 91 HG22 VAL 14 HG22 VAL 14 -13.728 -4.123 0.526 92 HG23 VAL 14 HG23 VAL 14 -14.967 -4.699 1.640 93 H ASP 15 H ASP 15 -13.774 -9.043 1.698 94 HA ASP 15 HA ASP 15 -11.099 -9.914 1.987 95 HB2 ASP 15 HB2 ASP 15 -13.718 -11.298 2.593 96 HB3 ASP 15 HB3 ASP 15 -12.138 -11.918 3.069 97 H LEU 16 H LEU 16 -13.756 -11.008 -0.076 98 HA LEU 16 HA LEU 16 -12.639 -13.382 -1.032 99 HB2 LEU 16 HB2 LEU 16 -14.978 -12.592 -1.450 100 HB3 LEU 16 HB3 LEU 16 -14.334 -11.433 -2.609 101 HG LEU 16 HG LEU 16 -13.231 -13.429 -3.778 102 HD11 LEU 16 HD11 LEU 16 -13.437 -15.465 -2.842 103 HD12 LEU 16 HD12 LEU 16 -15.191 -15.347 -2.970 104 HD13 LEU 16 HD13 LEU 16 -14.372 -14.769 -1.520 105 HD21 LEU 16 HD21 LEU 16 -15.033 -12.535 -4.951 106 HD22 LEU 16 HD22 LEU 16 -16.175 -12.859 -3.647 107 HD23 LEU 16 HD23 LEU 16 -15.600 -14.180 -4.665 108 H ALA 17 H ALA 17 -12.216 -10.047 -2.166 109 HA ALA 17 HA ALA 17 -10.622 -10.712 -4.427 110 HB1 ALA 17 HB1 ALA 17 -11.810 -8.424 -3.511 111 HB2 ALA 17 HB2 ALA 17 -10.626 -8.485 -4.817 112 HB3 ALA 17 HB3 ALA 17 -10.110 -8.101 -3.175 113 H VAL 18 H VAL 18 -9.888 -9.971 -1.058 114 HA VAL 18 HA VAL 18 -7.085 -9.713 -1.334 115 HB VAL 18 HB VAL 18 -8.794 -10.526 1.024 116 HG11 VAL 18 HG11 VAL 18 -5.866 -10.407 0.650 117 HG12 VAL 18 HG12 VAL 18 -6.810 -11.247 1.879 118 HG13 VAL 18 HG13 VAL 18 -6.465 -9.527 2.056 119 HG21 VAL 18 HG21 VAL 18 -8.812 -8.155 -0.164 120 HG22 VAL 18 HG22 VAL 18 -7.303 -7.942 0.725 121 HG23 VAL 18 HG23 VAL 18 -8.801 -8.273 1.595 122 H GLU 19 H GLU 19 -9.160 -12.518 -0.679 123 HA GLU 19 HA GLU 19 -7.100 -14.366 -0.147 124 HB2 GLU 19 HB2 GLU 19 -9.869 -14.780 -1.290 125 HB3 GLU 19 HB3 GLU 19 -8.807 -16.087 -0.765 126 HG2 GLU 19 HG2 GLU 19 -8.701 -15.044 1.497 127 HG3 GLU 19 HG3 GLU 19 -9.852 -13.822 0.959 128 H LYS 20 H LYS 20 -8.628 -13.362 -3.185 129 HA LYS 20 HA LYS 20 -7.411 -15.297 -4.845 130 HB2 LYS 20 HB2 LYS 20 -8.367 -12.494 -5.469 131 HB3 LYS 20 HB3 LYS 20 -7.897 -13.683 -6.684 132 HG2 LYS 20 HG2 LYS 20 -9.624 -15.239 -5.775 133 HG3 LYS 20 HG3 LYS 20 -10.137 -13.971 -4.661 134 HD2 LYS 20 HD2 LYS 20 -10.588 -12.487 -6.619 135 HD3 LYS 20 HD3 LYS 20 -10.190 -13.832 -7.690 136 HE2 LYS 20 HE2 LYS 20 -12.599 -13.403 -6.009 137 HE3 LYS 20 HE3 LYS 20 -12.442 -14.221 -7.563 138 HZ1 LYS 20 HZ1 LYS 20 -11.176 -15.977 -6.237 139 HZ2 LYS 20 HZ2 LYS 20 -12.865 -15.927 -6.070 140 HZ3 LYS 20 HZ3 LYS 20 -11.869 -15.267 -4.862 141 H PHE 21 H PHE 21 -6.427 -12.009 -3.937 142 HA PHE 21 HA PHE 21 -4.034 -12.012 -5.490 143 HB2 PHE 21 HB2 PHE 21 -5.181 -9.948 -4.692 144 HB3 PHE 21 HB3 PHE 21 -4.691 -10.351 -3.046 145 HD1 PHE 21 HD1 PHE 21 -3.481 -9.396 -6.412 146 HD2 PHE 21 HD2 PHE 21 -2.406 -10.093 -2.312 147 HE1 PHE 21 HE1 PHE 21 -1.265 -8.355 -6.815 148 HE2 PHE 21 HE2 PHE 21 -0.191 -9.052 -2.714 149 HZ PHE 21 HZ PHE 21 0.379 -8.183 -4.967 150 H TYR 22 H TYR 22 -4.744 -12.655 -2.074 151 HA TYR 22 HA TYR 22 -2.125 -12.993 -1.155 152 HB2 TYR 22 HB2 TYR 22 -4.132 -12.849 0.299 153 HB3 TYR 22 HB3 TYR 22 -4.597 -14.469 -0.222 154 HD1 TYR 22 HD1 TYR 22 -2.094 -12.496 1.654 155 HD2 TYR 22 HD2 TYR 22 -3.411 -16.435 0.554 156 HE1 TYR 22 HE1 TYR 22 -0.595 -13.477 3.369 157 HE2 TYR 22 HE2 TYR 22 -1.913 -17.414 2.270 158 HH TYR 22 HH TYR 22 -0.616 -16.954 4.053 159 H GLY 23 H GLY 23 -4.357 -15.339 -2.616 160 HA2 GLY 23 HA2 GLY 23 -2.840 -17.658 -2.245 161 HA3 GLY 23 HA3 GLY 23 -3.980 -17.404 -3.563 162 H LYS 24 H LYS 24 -2.711 -15.224 -4.820 163 HA LYS 24 HA LYS 24 -0.880 -16.543 -6.504 164 HB2 LYS 24 HB2 LYS 24 -1.363 -13.586 -6.076 165 HB3 LYS 24 HB3 LYS 24 -0.410 -14.265 -7.397 166 HG2 LYS 24 HG2 LYS 24 -2.408 -15.598 -8.093 167 HG3 LYS 24 HG3 LYS 24 -3.346 -14.781 -6.843 168 HD2 LYS 24 HD2 LYS 24 -2.765 -12.591 -7.899 169 HD3 LYS 24 HD3 LYS 24 -1.960 -13.471 -9.199 170 HE2 LYS 24 HE2 LYS 24 -3.990 -13.423 -10.216 171 HE3 LYS 24 HE3 LYS 24 -4.402 -14.726 -9.102 172 HZ1 LYS 24 HZ1 LYS 24 -6.047 -13.008 -8.961 173 HZ2 LYS 24 HZ2 LYS 24 -4.861 -11.824 -8.679 174 HZ3 LYS 24 HZ3 LYS 24 -5.158 -13.027 -7.517 175 H VAL 25 H VAL 25 -0.416 -14.457 -3.695 176 HA VAL 25 HA VAL 25 2.368 -14.073 -3.947 177 HB VAL 25 HB VAL 25 0.591 -14.119 -1.500 178 HG11 VAL 25 HG11 VAL 25 2.562 -12.713 -0.582 179 HG12 VAL 25 HG12 VAL 25 3.506 -13.440 -1.882 180 HG13 VAL 25 HG13 VAL 25 2.769 -14.463 -0.649 181 HG21 VAL 25 HG21 VAL 25 1.829 -11.753 -2.920 182 HG22 VAL 25 HG22 VAL 25 0.509 -11.752 -1.751 183 HG23 VAL 25 HG23 VAL 25 0.248 -12.390 -3.375 184 H LEU 26 H LEU 26 0.465 -16.592 -2.343 185 HA LEU 26 HA LEU 26 2.585 -17.939 -1.079 186 HB2 LEU 26 HB2 LEU 26 0.024 -19.115 -2.186 187 HB3 LEU 26 HB3 LEU 26 1.065 -19.849 -0.966 188 HG LEU 26 HG LEU 26 -0.423 -17.220 -0.690 189 HD11 LEU 26 HD11 LEU 26 -1.276 -19.879 -0.322 190 HD12 LEU 26 HD12 LEU 26 -2.091 -18.418 0.235 191 HD13 LEU 26 HD13 LEU 26 -0.959 -19.257 1.299 192 HD21 LEU 26 HD21 LEU 26 1.456 -16.874 0.636 193 HD22 LEU 26 HD22 LEU 26 1.682 -18.596 0.945 194 HD23 LEU 26 HD23 LEU 26 0.409 -17.709 1.785 195 H ALA 27 H ALA 27 1.335 -18.103 -4.366 196 HA ALA 27 HA ALA 27 2.668 -20.446 -5.194 197 HB1 ALA 27 HB1 ALA 27 1.049 -18.441 -6.384 198 HB2 ALA 27 HB2 ALA 27 1.519 -20.001 -7.061 199 HB3 ALA 27 HB3 ALA 27 2.515 -18.576 -7.356 200 H ASP 28 H ASP 28 3.680 -17.049 -5.151 201 HA ASP 28 HA ASP 28 6.273 -17.739 -6.305 202 HB2 ASP 28 HB2 ASP 28 5.134 -15.664 -7.002 203 HB3 ASP 28 HB3 ASP 28 5.204 -15.077 -5.343 204 H GLU 29 H GLU 29 7.585 -18.759 -4.910 205 HA GLU 29 HA GLU 29 7.604 -18.258 -2.090 206 HB2 GLU 29 HB2 GLU 29 8.222 -20.442 -3.132 207 HB3 GLU 29 HB3 GLU 29 9.685 -19.683 -3.759 208 HG2 GLU 29 HG2 GLU 29 10.269 -20.780 -1.690 209 HG3 GLU 29 HG3 GLU 29 10.271 -19.044 -1.390 210 H ARG 30 H ARG 30 9.359 -17.004 -4.833 211 HA ARG 30 HA ARG 30 11.664 -16.023 -3.632 212 HB2 ARG 30 HB2 ARG 30 10.021 -14.832 -5.874 213 HB3 ARG 30 HB3 ARG 30 11.655 -14.318 -5.451 214 HG2 ARG 30 HG2 ARG 30 12.438 -16.666 -5.801 215 HG3 ARG 30 HG3 ARG 30 10.815 -17.088 -6.350 216 HD2 ARG 30 HD2 ARG 30 12.660 -15.044 -7.613 217 HD3 ARG 30 HD3 ARG 30 12.230 -16.615 -8.284 218 HE ARG 30 HE ARG 30 10.682 -14.231 -8.472 219 HH11 ARG 30 HH11 ARG 30 10.472 -17.653 -8.000 220 HH12 ARG 30 HH12 ARG 30 8.882 -17.788 -8.672 221 HH21 ARG 30 HH21 ARG 30 8.594 -14.400 -9.353 222 HH22 ARG 30 HH22 ARG 30 7.818 -15.947 -9.438 223 H VAL 31 H VAL 31 8.446 -14.495 -3.811 224 HA VAL 31 HA VAL 31 9.370 -12.131 -2.423 225 HB VAL 31 HB VAL 31 7.013 -11.442 -2.473 226 HG11 VAL 31 HG11 VAL 31 6.716 -11.790 -5.047 227 HG12 VAL 31 HG12 VAL 31 8.300 -12.560 -4.954 228 HG13 VAL 31 HG13 VAL 31 8.108 -10.874 -4.469 229 HG21 VAL 31 HG21 VAL 31 5.314 -12.901 -3.442 230 HG22 VAL 31 HG22 VAL 31 6.069 -13.732 -2.083 231 HG23 VAL 31 HG23 VAL 31 6.518 -14.154 -3.735 232 H ASN 32 H ASN 32 7.849 -15.156 -1.604 233 HA ASN 32 HA ASN 32 6.784 -14.551 0.907 234 HB2 ASN 32 HB2 ASN 32 8.032 -17.114 -0.103 235 HB3 ASN 32 HB3 ASN 32 7.103 -16.980 1.389 236 HD21 ASN 32 HD21 ASN 32 6.209 -18.663 -0.734 237 HD22 ASN 32 HD22 ASN 32 4.791 -17.997 -1.388 238 H ARG 33 H ARG 33 10.102 -15.255 -0.052 239 HA ARG 33 HA ARG 33 11.265 -15.803 2.402 240 HB2 ARG 33 HB2 ARG 33 12.391 -14.201 0.096 241 HB3 ARG 33 HB3 ARG 33 13.346 -14.838 1.436 242 HG2 ARG 33 HG2 ARG 33 12.554 -17.134 0.859 243 HG3 ARG 33 HG3 ARG 33 11.718 -16.460 -0.542 244 HD2 ARG 33 HD2 ARG 33 13.936 -15.521 -1.300 245 HD3 ARG 33 HD3 ARG 33 14.698 -16.436 -0.004 246 HE ARG 33 HE ARG 33 13.029 -18.046 -1.733 247 HH11 ARG 33 HH11 ARG 33 16.143 -16.636 -1.195 248 HH12 ARG 33 HH12 ARG 33 16.991 -17.801 -2.155 249 HH21 ARG 33 HH21 ARG 33 14.133 -19.578 -2.997 250 HH22 ARG 33 HH22 ARG 33 15.853 -19.468 -3.177 251 H PHE 34 H PHE 34 10.457 -12.658 0.993 252 HA PHE 34 HA PHE 34 11.673 -11.097 3.036 253 HB2 PHE 34 HB2 PHE 34 9.506 -10.476 1.026 254 HB3 PHE 34 HB3 PHE 34 10.182 -9.275 2.128 255 HD1 PHE 34 HD1 PHE 34 12.540 -8.585 1.957 256 HD2 PHE 34 HD2 PHE 34 10.810 -11.371 -0.817 257 HE1 PHE 34 HE1 PHE 34 14.466 -8.260 0.429 258 HE2 PHE 34 HE2 PHE 34 12.737 -11.047 -2.345 259 HZ PHE 34 HZ PHE 34 14.565 -9.491 -1.721 260 H PHE 35 H PHE 35 8.540 -12.630 2.707 261 HA PHE 35 HA PHE 35 7.526 -11.240 5.075 262 HB2 PHE 35 HB2 PHE 35 6.218 -13.192 3.173 263 HB3 PHE 35 HB3 PHE 35 5.410 -12.445 4.553 264 HD1 PHE 35 HD1 PHE 35 5.202 -9.932 4.658 265 HD2 PHE 35 HD2 PHE 35 6.558 -11.989 1.140 266 HE1 PHE 35 HE1 PHE 35 4.742 -7.910 3.299 267 HE2 PHE 35 HE2 PHE 35 6.100 -9.967 -0.220 268 HZ PHE 35 HZ PHE 35 5.192 -7.927 0.860 269 H VAL 36 H VAL 36 9.395 -13.933 4.533 270 HA VAL 36 HA VAL 36 8.214 -15.892 6.179 271 HB VAL 36 HB VAL 36 11.034 -15.318 5.325 272 HG11 VAL 36 HG11 VAL 36 11.529 -17.569 6.511 273 HG12 VAL 36 HG12 VAL 36 10.085 -17.224 7.464 274 HG13 VAL 36 HG13 VAL 36 11.458 -16.118 7.511 275 HG21 VAL 36 HG21 VAL 36 10.758 -17.291 4.053 276 HG22 VAL 36 HG22 VAL 36 9.178 -16.516 3.950 277 HG23 VAL 36 HG23 VAL 36 9.428 -17.860 5.063 278 H ASN 37 H ASN 37 10.550 -13.317 6.943 279 HA ASN 37 HA ASN 37 10.782 -13.908 9.700 280 HB2 ASN 37 HB2 ASN 37 11.142 -11.294 8.215 281 HB3 ASN 37 HB3 ASN 37 11.621 -11.571 9.889 282 HD21 ASN 37 HD21 ASN 37 13.566 -10.896 7.908 283 HD22 ASN 37 HD22 ASN 37 14.566 -12.244 7.658 284 H THR 38 H THR 38 8.524 -11.968 7.838 285 HA THR 38 HA THR 38 7.183 -10.953 10.212 286 HB THR 38 HB THR 38 6.432 -10.705 7.289 287 HG1 THR 38 HG1 THR 38 7.957 -9.096 9.047 288 HG21 THR 38 HG21 THR 38 5.290 -9.719 9.844 289 HG22 THR 38 HG22 THR 38 4.493 -10.045 8.304 290 HG23 THR 38 HG23 THR 38 5.390 -8.544 8.532 291 H ASP 39 H ASP 39 5.212 -11.622 10.981 292 HA ASP 39 HA ASP 39 4.427 -14.303 10.444 293 HB2 ASP 39 HB2 ASP 39 2.602 -13.880 12.003 294 HB3 ASP 39 HB3 ASP 39 4.101 -13.208 12.638 295 H MET 40 H MET 40 2.487 -15.076 9.535 296 HA MET 40 HA MET 40 1.737 -13.890 7.098 297 HB2 MET 40 HB2 MET 40 0.364 -16.006 8.767 298 HB3 MET 40 HB3 MET 40 -0.117 -15.575 7.126 299 HG2 MET 40 HG2 MET 40 2.191 -16.110 6.347 300 HG3 MET 40 HG3 MET 40 2.590 -16.641 7.981 301 HE1 MET 40 HE1 MET 40 2.417 -19.997 6.117 302 HE2 MET 40 HE2 MET 40 3.345 -18.925 7.163 303 HE3 MET 40 HE3 MET 40 3.010 -18.449 5.501 304 H ALA 41 H ALA 41 0.338 -13.682 10.323 305 HA ALA 41 HA ALA 41 -2.171 -12.649 9.732 306 HB1 ALA 41 HB1 ALA 41 -0.293 -12.185 12.042 307 HB2 ALA 41 HB2 ALA 41 -1.745 -13.185 11.989 308 HB3 ALA 41 HB3 ALA 41 -1.884 -11.427 11.976 309 H LYS 42 H LYS 42 0.738 -10.719 10.539 310 HA LYS 42 HA LYS 42 -0.413 -8.234 9.862 311 HB2 LYS 42 HB2 LYS 42 2.499 -9.058 9.896 312 HB3 LYS 42 HB3 LYS 42 1.913 -7.396 9.829 313 HG2 LYS 42 HG2 LYS 42 0.622 -7.892 11.967 314 HG3 LYS 42 HG3 LYS 42 1.540 -9.395 12.069 315 HD2 LYS 42 HD2 LYS 42 2.758 -6.621 11.919 316 HD3 LYS 42 HD3 LYS 42 2.596 -7.578 13.391 317 HE2 LYS 42 HE2 LYS 42 4.681 -8.320 12.856 318 HE3 LYS 42 HE3 LYS 42 3.817 -9.377 11.739 319 HZ1 LYS 42 HZ1 LYS 42 4.408 -8.139 9.959 320 HZ2 LYS 42 HZ2 LYS 42 5.729 -7.746 10.954 321 HZ3 LYS 42 HZ3 LYS 42 4.415 -6.676 10.818 322 H GLN 43 H GLN 43 1.283 -10.649 7.956 323 HA GLN 43 HA GLN 43 1.883 -9.154 5.678 324 HB2 GLN 43 HB2 GLN 43 2.619 -11.500 6.104 325 HB3 GLN 43 HB3 GLN 43 0.981 -12.042 5.735 326 HG2 GLN 43 HG2 GLN 43 1.163 -10.969 3.496 327 HG3 GLN 43 HG3 GLN 43 2.832 -10.539 3.864 328 HE21 GLN 43 HE21 GLN 43 2.507 -13.401 5.424 329 HE22 GLN 43 HE22 GLN 43 2.968 -14.472 4.189 330 H LYS 44 H LYS 44 -1.130 -10.828 6.552 331 HA LYS 44 HA LYS 44 -2.503 -10.418 4.135 332 HB2 LYS 44 HB2 LYS 44 -3.556 -10.622 6.966 333 HB3 LYS 44 HB3 LYS 44 -4.565 -10.677 5.521 334 HG2 LYS 44 HG2 LYS 44 -3.236 -12.629 4.711 335 HG3 LYS 44 HG3 LYS 44 -2.340 -12.609 6.230 336 HD2 LYS 44 HD2 LYS 44 -4.495 -12.889 7.460 337 HD3 LYS 44 HD3 LYS 44 -5.324 -13.034 5.909 338 HE2 LYS 44 HE2 LYS 44 -4.879 -15.243 5.997 339 HE3 LYS 44 HE3 LYS 44 -3.188 -14.826 5.718 340 HZ1 LYS 44 HZ1 LYS 44 -2.676 -15.382 7.788 341 HZ2 LYS 44 HZ2 LYS 44 -4.240 -16.022 7.956 342 HZ3 LYS 44 HZ3 LYS 44 -3.917 -14.425 8.436 343 H GLN 45 H GLN 45 -2.115 -8.365 6.976 344 HA GLN 45 HA GLN 45 -3.989 -6.377 6.309 345 HB2 GLN 45 HB2 GLN 45 -2.839 -6.633 8.523 346 HB3 GLN 45 HB3 GLN 45 -1.378 -5.976 7.783 347 HG2 GLN 45 HG2 GLN 45 -2.566 -3.908 7.215 348 HG3 GLN 45 HG3 GLN 45 -4.060 -4.564 7.884 349 HE21 GLN 45 HE21 GLN 45 -3.226 -2.216 9.037 350 HE22 GLN 45 HE22 GLN 45 -2.549 -2.500 10.568 351 H HIS 46 H HIS 46 -0.605 -6.813 5.379 352 HA HIS 46 HA HIS 46 -0.175 -4.307 4.192 353 HB2 HIS 46 HB2 HIS 46 1.592 -6.006 4.679 354 HB3 HIS 46 HB3 HIS 46 1.007 -6.945 3.304 355 HD1 HIS 46 HD1 HIS 46 1.991 -6.352 1.083 356 HD2 HIS 46 HD2 HIS 46 2.391 -3.240 3.825 357 HE1 HIS 46 HE1 HIS 46 3.354 -4.555 -0.068 358 H GLN 47 H GLN 47 -1.410 -7.333 2.772 359 HA GLN 47 HA GLN 47 -1.600 -6.421 0.119 360 HB2 GLN 47 HB2 GLN 47 -3.120 -8.525 1.655 361 HB3 GLN 47 HB3 GLN 47 -3.420 -8.209 -0.054 362 HG2 GLN 47 HG2 GLN 47 -1.681 -10.046 0.596 363 HG3 GLN 47 HG3 GLN 47 -1.284 -8.919 -0.696 364 HE21 GLN 47 HE21 GLN 47 -0.091 -10.247 2.172 365 HE22 GLN 47 HE22 GLN 47 1.094 -9.081 2.513 366 H LYS 48 H LYS 48 -3.880 -6.166 2.829 367 HA LYS 48 HA LYS 48 -6.062 -5.147 1.357 368 HB2 LYS 48 HB2 LYS 48 -6.200 -5.944 3.718 369 HB3 LYS 48 HB3 LYS 48 -5.320 -4.501 4.221 370 HG2 LYS 48 HG2 LYS 48 -7.119 -3.115 3.116 371 HG3 LYS 48 HG3 LYS 48 -8.026 -4.604 2.859 372 HD2 LYS 48 HD2 LYS 48 -7.033 -3.973 5.619 373 HD3 LYS 48 HD3 LYS 48 -8.463 -3.138 5.013 374 HE2 LYS 48 HE2 LYS 48 -9.651 -5.175 4.702 375 HE3 LYS 48 HE3 LYS 48 -8.187 -6.144 4.869 376 HZ1 LYS 48 HZ1 LYS 48 -9.332 -6.297 6.905 377 HZ2 LYS 48 HZ2 LYS 48 -9.612 -4.623 6.975 378 HZ3 LYS 48 HZ3 LYS 48 -8.040 -5.236 7.187 379 H ASP 49 H ASP 49 -3.447 -3.491 3.114 380 HA ASP 49 HA ASP 49 -4.266 -0.860 2.423 381 HB2 ASP 49 HB2 ASP 49 -1.564 -1.954 3.239 382 HB3 ASP 49 HB3 ASP 49 -1.945 -0.238 3.102 383 H PHE 50 H PHE 50 -2.028 -3.176 0.967 384 HA PHE 50 HA PHE 50 -0.929 -1.490 -1.003 385 HB2 PHE 50 HB2 PHE 50 -0.027 -3.724 -0.394 386 HB3 PHE 50 HB3 PHE 50 -1.422 -4.473 -1.168 387 HD1 PHE 50 HD1 PHE 50 1.629 -2.453 -1.743 388 HD2 PHE 50 HD2 PHE 50 -1.627 -4.578 -3.568 389 HE1 PHE 50 HE1 PHE 50 2.768 -2.312 -3.940 390 HE2 PHE 50 HE2 PHE 50 -0.490 -4.434 -5.767 391 HZ PHE 50 HZ PHE 50 1.707 -3.299 -5.953 392 H MET 51 H MET 51 -3.739 -3.668 -1.093 393 HA MET 51 HA MET 51 -4.435 -3.226 -3.787 394 HB2 MET 51 HB2 MET 51 -5.327 -5.060 -2.332 395 HB3 MET 51 HB3 MET 51 -6.313 -3.859 -1.500 396 HG2 MET 51 HG2 MET 51 -7.737 -4.788 -3.169 397 HG3 MET 51 HG3 MET 51 -7.228 -3.227 -3.811 398 HE1 MET 51 HE1 MET 51 -8.366 -6.029 -5.125 399 HE2 MET 51 HE2 MET 51 -7.273 -7.018 -4.160 400 HE3 MET 51 HE3 MET 51 -7.142 -7.031 -5.917 401 H THR 52 H THR 52 -5.338 -1.534 -0.808 402 HA THR 52 HA THR 52 -7.305 0.153 -1.902 403 HB THR 52 HB THR 52 -5.402 0.781 0.367 404 HG1 THR 52 HG1 THR 52 -7.990 -0.304 0.580 405 HG21 THR 52 HG21 THR 52 -6.507 2.761 0.208 406 HG22 THR 52 HG22 THR 52 -7.828 1.877 0.974 407 HG23 THR 52 HG23 THR 52 -7.797 2.071 -0.778 408 H TYR 53 H TYR 53 -3.793 0.550 -1.597 409 HA TYR 53 HA TYR 53 -3.637 3.196 -2.550 410 HB2 TYR 53 HB2 TYR 53 -1.786 1.980 -1.409 411 HB3 TYR 53 HB3 TYR 53 -1.574 1.004 -2.862 412 HD1 TYR 53 HD1 TYR 53 -1.379 4.438 -1.480 413 HD2 TYR 53 HD2 TYR 53 -0.514 1.894 -4.830 414 HE1 TYR 53 HE1 TYR 53 0.025 6.225 -2.472 415 HE2 TYR 53 HE2 TYR 53 0.891 3.682 -5.823 416 HH TYR 53 HH TYR 53 0.833 6.469 -5.477 417 H ALA 54 H ALA 54 -3.534 0.080 -4.242 418 HA ALA 54 HA ALA 54 -2.958 1.104 -6.815 419 HB1 ALA 54 HB1 ALA 54 -2.927 -1.076 -7.341 420 HB2 ALA 54 HB2 ALA 54 -4.628 -1.256 -6.912 421 HB3 ALA 54 HB3 ALA 54 -3.384 -1.422 -5.674 422 H PHE 55 H PHE 55 -5.969 0.650 -5.051 423 HA PHE 55 HA PHE 55 -7.668 1.197 -7.301 424 HB2 PHE 55 HB2 PHE 55 -8.069 0.880 -4.349 425 HB3 PHE 55 HB3 PHE 55 -9.355 1.586 -5.328 426 HD1 PHE 55 HD1 PHE 55 -6.866 -1.169 -5.923 427 HD2 PHE 55 HD2 PHE 55 -10.997 0.005 -5.803 428 HE1 PHE 55 HE1 PHE 55 -7.530 -3.430 -6.693 429 HE2 PHE 55 HE2 PHE 55 -11.661 -2.257 -6.573 430 HZ PHE 55 HZ PHE 55 -9.928 -3.974 -7.019 431 H GLY 56 H GLY 56 -5.576 3.138 -5.701 432 HA2 GLY 56 HA2 GLY 56 -5.343 5.452 -6.207 433 HA3 GLY 56 HA3 GLY 56 -7.086 5.548 -6.448 434 H GLY 57 H GLY 57 -6.616 3.716 -3.753 435 HA2 GLY 57 HA2 GLY 57 -7.538 5.775 -1.981 436 HA3 GLY 57 HA3 GLY 57 -7.128 4.120 -1.535 437 H THR 58 H THR 58 -5.245 6.797 -2.957 438 HA THR 58 HA THR 58 -2.860 6.177 -1.604 439 HB THR 58 HB THR 58 -2.071 8.346 -2.340 440 HG1 THR 58 HG1 THR 58 -3.785 9.673 -3.408 441 HG21 THR 58 HG21 THR 58 -3.194 6.398 -4.005 442 HG22 THR 58 HG22 THR 58 -2.049 7.650 -4.481 443 HG23 THR 58 HG23 THR 58 -3.782 7.929 -4.651 444 H ASP 59 H ASP 59 -5.617 8.152 -0.685 445 HA ASP 59 HA ASP 59 -6.014 9.443 1.200 446 HB2 ASP 59 HB2 ASP 59 -6.309 7.079 1.958 447 HB3 ASP 59 HB3 ASP 59 -4.633 7.087 2.504 448 H ARG 60 H ARG 60 -3.597 10.146 -0.131 449 HA ARG 60 HA ARG 60 -1.453 11.003 0.230 450 HB2 ARG 60 HB2 ARG 60 -3.090 12.840 0.574 451 HB3 ARG 60 HB3 ARG 60 -3.088 12.482 2.302 452 HG2 ARG 60 HG2 ARG 60 -1.233 13.721 2.569 453 HG3 ARG 60 HG3 ARG 60 -0.371 12.689 1.428 454 HD2 ARG 60 HD2 ARG 60 -2.151 15.013 0.650 455 HD3 ARG 60 HD3 ARG 60 -0.392 15.074 0.715 456 HE ARG 60 HE ARG 60 -1.484 12.968 -0.967 457 HH11 ARG 60 HH11 ARG 60 -0.354 16.229 -0.704 458 HH12 ARG 60 HH12 ARG 60 0.034 16.376 -2.386 459 HH21 ARG 60 HH21 ARG 60 -0.978 13.154 -3.173 460 HH22 ARG 60 HH22 ARG 60 -0.320 14.635 -3.784 461 H PHE 61 H PHE 61 -0.495 9.041 1.112 462 HA PHE 61 HA PHE 61 -0.415 8.566 3.926 463 HB2 PHE 61 HB2 PHE 61 1.169 7.546 1.577 464 HB3 PHE 61 HB3 PHE 61 1.602 7.109 3.230 465 HD1 PHE 61 HD1 PHE 61 -0.131 5.996 4.707 466 HD2 PHE 61 HD2 PHE 61 -0.683 6.534 0.481 467 HE1 PHE 61 HE1 PHE 61 -1.917 4.276 4.721 468 HE2 PHE 61 HE2 PHE 61 -2.470 4.815 0.496 469 HZ PHE 61 HZ PHE 61 -3.087 3.685 2.615 470 HA PRO 62 HA PRO 62 2.559 11.369 5.576 471 HB2 PRO 62 HB2 PRO 62 4.211 8.965 6.239 472 HB3 PRO 62 HB3 PRO 62 3.720 10.317 7.276 473 HG2 PRO 62 HG2 PRO 62 2.546 7.888 7.359 474 HG3 PRO 62 HG3 PRO 62 1.702 9.392 7.754 475 HD2 PRO 62 HD2 PRO 62 1.330 7.624 5.437 476 HD3 PRO 62 HD3 PRO 62 0.277 8.919 6.043 477 H GLY 63 H GLY 63 4.346 8.570 4.247 478 HA2 GLY 63 HA2 GLY 63 5.680 8.550 2.295 479 HA3 GLY 63 HA3 GLY 63 5.646 10.311 2.281 480 H ARG 64 H ARG 64 6.199 9.724 5.386 481 HA ARG 64 HA ARG 64 9.111 9.940 5.059 482 HB2 ARG 64 HB2 ARG 64 7.931 11.705 6.345 483 HB3 ARG 64 HB3 ARG 64 7.402 10.479 7.499 484 HG2 ARG 64 HG2 ARG 64 9.777 9.914 7.956 485 HG3 ARG 64 HG3 ARG 64 10.277 11.197 6.853 486 HD2 ARG 64 HD2 ARG 64 9.035 12.838 8.262 487 HD3 ARG 64 HD3 ARG 64 8.658 11.541 9.392 488 HE ARG 64 HE ARG 64 11.132 12.953 9.214 489 HH11 ARG 64 HH11 ARG 64 9.721 9.843 9.774 490 HH12 ARG 64 HH12 ARG 64 11.019 9.280 10.773 491 HH21 ARG 64 HH21 ARG 64 12.838 12.221 10.523 492 HH22 ARG 64 HH22 ARG 64 12.784 10.626 11.196 493 H SER 65 H SER 65 6.953 8.516 7.515 494 HA SER 65 HA SER 65 8.843 6.653 8.463 495 HB2 SER 65 HB2 SER 65 7.011 5.657 9.667 496 HB3 SER 65 HB3 SER 65 6.774 7.402 9.672 497 HG SER 65 HG SER 65 5.595 5.562 7.854 498 H MET 66 H MET 66 6.833 6.642 5.664 499 HA MET 66 HA MET 66 6.430 3.915 5.233 500 HB2 MET 66 HB2 MET 66 6.948 6.127 3.233 501 HB3 MET 66 HB3 MET 66 6.367 4.516 2.810 502 HG2 MET 66 HG2 MET 66 4.967 6.402 4.727 503 HG3 MET 66 HG3 MET 66 4.513 6.169 3.039 504 HE1 MET 66 HE1 MET 66 2.466 4.287 6.228 505 HE2 MET 66 HE2 MET 66 2.887 5.915 5.701 506 HE3 MET 66 HE3 MET 66 4.037 4.978 6.652 507 H ARG 67 H ARG 67 9.255 5.939 4.540 508 HA ARG 67 HA ARG 67 10.728 3.993 3.107 509 HB2 ARG 67 HB2 ARG 67 11.665 6.340 4.773 510 HB3 ARG 67 HB3 ARG 67 12.706 5.390 3.713 511 HG2 ARG 67 HG2 ARG 67 11.188 5.951 1.803 512 HG3 ARG 67 HG3 ARG 67 10.281 7.009 2.884 513 HD2 ARG 67 HD2 ARG 67 12.424 8.239 3.359 514 HD3 ARG 67 HD3 ARG 67 13.198 7.267 2.111 515 HE ARG 67 HE ARG 67 10.846 8.535 1.103 516 HH11 ARG 67 HH11 ARG 67 14.138 9.063 2.029 517 HH12 ARG 67 HH12 ARG 67 14.372 10.402 0.955 518 HH21 ARG 67 HH21 ARG 67 11.144 10.292 -0.309 519 HH22 ARG 67 HH22 ARG 67 12.676 11.097 -0.368 520 H ALA 68 H ALA 68 10.524 4.785 6.549 521 HA ALA 68 HA ALA 68 12.570 3.005 7.403 522 HB1 ALA 68 HB1 ALA 68 12.172 4.404 9.138 523 HB2 ALA 68 HB2 ALA 68 10.931 3.229 9.575 524 HB3 ALA 68 HB3 ALA 68 10.495 4.673 8.661 525 H ALA 69 H ALA 69 9.118 2.644 6.840 526 HA ALA 69 HA ALA 69 8.723 0.191 8.160 527 HB1 ALA 69 HB1 ALA 69 7.254 0.720 5.624 528 HB2 ALA 69 HB2 ALA 69 7.064 1.884 6.936 529 HB3 ALA 69 HB3 ALA 69 6.643 0.189 7.192 530 H HIS 70 H HIS 70 9.896 0.943 4.914 531 HA HIS 70 HA HIS 70 10.129 -1.911 4.289 532 HB2 HIS 70 HB2 HIS 70 10.675 0.551 2.615 533 HB3 HIS 70 HB3 HIS 70 10.798 -1.113 2.041 534 HD1 HIS 70 HD1 HIS 70 8.362 1.582 2.722 535 HD2 HIS 70 HD2 HIS 70 8.238 -2.524 2.021 536 HE1 HIS 70 HE1 HIS 70 5.950 1.020 2.193 537 H GLN 71 H GLN 71 12.002 0.674 5.502 538 HA GLN 71 HA GLN 71 14.565 0.053 4.541 539 HB2 GLN 71 HB2 GLN 71 13.963 2.110 5.823 540 HB3 GLN 71 HB3 GLN 71 13.871 1.125 7.284 541 HG2 GLN 71 HG2 GLN 71 16.222 0.455 6.989 542 HG3 GLN 71 HG3 GLN 71 16.318 1.417 5.516 543 HE21 GLN 71 HE21 GLN 71 18.116 2.111 7.481 544 HE22 GLN 71 HE22 GLN 71 17.645 3.552 8.245 545 H ASP 72 H ASP 72 12.694 -1.288 7.216 546 HA ASP 72 HA ASP 72 14.689 -2.744 8.512 547 HB2 ASP 72 HB2 ASP 72 11.763 -3.394 8.108 548 HB3 ASP 72 HB3 ASP 72 12.824 -4.258 9.219 549 H LEU 73 H LEU 73 12.736 -3.596 5.676 550 HA LEU 73 HA LEU 73 13.649 -6.265 5.432 551 HB2 LEU 73 HB2 LEU 73 12.699 -4.387 3.255 552 HB3 LEU 73 HB3 LEU 73 12.790 -6.143 3.145 553 HG LEU 73 HG LEU 73 11.053 -4.559 5.059 554 HD11 LEU 73 HD11 LEU 73 9.489 -4.673 3.445 555 HD12 LEU 73 HD12 LEU 73 9.666 -6.427 3.377 556 HD13 LEU 73 HD13 LEU 73 10.679 -5.399 2.366 557 HD21 LEU 73 HD21 LEU 73 11.771 -7.463 4.839 558 HD22 LEU 73 HD22 LEU 73 10.131 -7.033 5.326 559 HD23 LEU 73 HD23 LEU 73 11.507 -6.486 6.283 560 H VAL 74 H VAL 74 14.841 -3.195 4.146 561 HA VAL 74 HA VAL 74 16.811 -4.249 2.423 562 HB VAL 74 HB VAL 74 16.656 -1.601 3.878 563 HG11 VAL 74 HG11 VAL 74 18.862 -1.496 3.297 564 HG12 VAL 74 HG12 VAL 74 18.215 -1.161 1.691 565 HG13 VAL 74 HG13 VAL 74 18.716 -2.798 2.116 566 HG21 VAL 74 HG21 VAL 74 15.224 -2.702 1.692 567 HG22 VAL 74 HG22 VAL 74 16.359 -1.538 1.009 568 HG23 VAL 74 HG23 VAL 74 15.210 -1.028 2.246 569 H GLU 75 H GLU 75 16.913 -3.319 5.841 570 HA GLU 75 HA GLU 75 19.691 -3.638 6.215 571 HB2 GLU 75 HB2 GLU 75 17.402 -3.922 8.175 572 HB3 GLU 75 HB3 GLU 75 19.105 -3.842 8.627 573 HG2 GLU 75 HG2 GLU 75 19.280 -1.635 7.504 574 HG3 GLU 75 HG3 GLU 75 17.560 -1.708 7.126 575 H ASN 76 H ASN 76 17.006 -5.929 6.374 576 HA ASN 76 HA ASN 76 18.804 -8.076 7.217 577 HB2 ASN 76 HB2 ASN 76 15.824 -8.037 6.700 578 HB3 ASN 76 HB3 ASN 76 16.727 -9.440 7.270 579 HD21 ASN 76 HD21 ASN 76 14.644 -8.260 8.852 580 HD22 ASN 76 HD22 ASN 76 15.354 -7.572 10.232 581 H ALA 77 H ALA 77 16.376 -7.690 4.615 582 HA ALA 77 HA ALA 77 18.033 -9.484 2.949 583 HB1 ALA 77 HB1 ALA 77 15.097 -8.837 2.616 584 HB2 ALA 77 HB2 ALA 77 15.704 -10.238 3.499 585 HB3 ALA 77 HB3 ALA 77 16.017 -10.082 1.771 586 H GLY 78 H GLY 78 18.432 -8.958 0.787 587 HA2 GLY 78 HA2 GLY 78 18.527 -6.106 0.238 588 HA3 GLY 78 HA3 GLY 78 19.225 -7.387 -0.751 589 H LEU 79 H LEU 79 16.732 -5.155 -0.517 590 HA LEU 79 HA LEU 79 14.951 -6.662 -2.311 591 HB2 LEU 79 HB2 LEU 79 14.011 -5.539 -0.262 592 HB3 LEU 79 HB3 LEU 79 14.453 -3.992 -0.979 593 HG LEU 79 HG LEU 79 13.116 -4.817 -3.051 594 HD11 LEU 79 HD11 LEU 79 11.928 -6.732 -2.897 595 HD12 LEU 79 HD12 LEU 79 11.321 -6.308 -1.296 596 HD13 LEU 79 HD13 LEU 79 12.886 -7.100 -1.464 597 HD21 LEU 79 HD21 LEU 79 10.960 -4.068 -1.938 598 HD22 LEU 79 HD22 LEU 79 12.323 -2.968 -1.731 599 HD23 LEU 79 HD23 LEU 79 11.846 -4.039 -0.414 600 H THR 80 H THR 80 14.744 -6.156 -4.411 601 HA THR 80 HA THR 80 16.012 -3.658 -5.357 602 HB THR 80 HB THR 80 16.803 -4.791 -7.317 603 HG1 THR 80 HG1 THR 80 14.846 -6.240 -7.210 604 HG21 THR 80 HG21 THR 80 18.005 -5.097 -5.055 605 HG22 THR 80 HG22 THR 80 18.440 -6.203 -6.358 606 HG23 THR 80 HG23 THR 80 17.350 -6.734 -5.076 607 H ASP 81 H ASP 81 15.190 -2.984 -7.531 608 HA ASP 81 HA ASP 81 12.449 -2.497 -7.461 609 HB2 ASP 81 HB2 ASP 81 14.397 -2.414 -9.766 610 HB3 ASP 81 HB3 ASP 81 12.743 -1.813 -9.863 611 H VAL 82 H VAL 82 14.221 -5.123 -9.034 612 HA VAL 82 HA VAL 82 12.315 -6.087 -10.783 613 HB VAL 82 HB VAL 82 14.703 -6.969 -10.241 614 HG11 VAL 82 HG11 VAL 82 13.894 -7.561 -7.852 615 HG12 VAL 82 HG12 VAL 82 14.873 -8.753 -8.703 616 HG13 VAL 82 HG13 VAL 82 13.124 -8.953 -8.609 617 HG21 VAL 82 HG21 VAL 82 12.287 -8.568 -11.066 618 HG22 VAL 82 HG22 VAL 82 13.877 -9.327 -11.009 619 HG23 VAL 82 HG23 VAL 82 13.596 -7.946 -12.070 620 H HIS 83 H HIS 83 12.486 -6.536 -7.275 621 HA HIS 83 HA HIS 83 10.479 -8.471 -6.993 622 HB2 HIS 83 HB2 HIS 83 11.275 -6.210 -5.146 623 HB3 HIS 83 HB3 HIS 83 10.206 -7.537 -4.690 624 HD2 HIS 83 HD2 HIS 83 11.501 -10.066 -4.400 625 HE1 HIS 83 HE1 HIS 83 15.426 -8.581 -4.856 626 HE2 HIS 83 HE2 HIS 83 14.047 -10.610 -4.204 627 H PHE 84 H PHE 84 10.274 -4.935 -7.146 628 HA PHE 84 HA PHE 84 7.516 -4.682 -6.648 629 HB2 PHE 84 HB2 PHE 84 9.143 -2.797 -6.655 630 HB3 PHE 84 HB3 PHE 84 9.242 -2.928 -8.410 631 HD1 PHE 84 HD1 PHE 84 7.003 -2.145 -5.563 632 HD2 PHE 84 HD2 PHE 84 7.468 -2.136 -9.833 633 HE1 PHE 84 HE1 PHE 84 4.966 -0.748 -5.782 634 HE2 PHE 84 HE2 PHE 84 5.431 -0.738 -10.052 635 HZ PHE 84 HZ PHE 84 4.180 -0.045 -8.026 636 H ASP 85 H ASP 85 9.319 -5.051 -9.686 637 HA ASP 85 HA ASP 85 7.112 -4.863 -11.430 638 HB2 ASP 85 HB2 ASP 85 9.513 -4.727 -12.111 639 HB3 ASP 85 HB3 ASP 85 9.643 -6.466 -11.849 640 H ALA 86 H ALA 86 8.535 -7.603 -9.712 641 HA ALA 86 HA ALA 86 7.030 -9.627 -11.018 642 HB1 ALA 86 HB1 ALA 86 9.133 -9.929 -9.622 643 HB2 ALA 86 HB2 ALA 86 7.842 -11.096 -9.333 644 HB3 ALA 86 HB3 ALA 86 8.101 -9.769 -8.201 645 H ILE 87 H ILE 87 6.626 -8.220 -7.747 646 HA ILE 87 HA ILE 87 4.154 -9.478 -7.234 647 HB ILE 87 HB ILE 87 5.698 -8.368 -5.546 648 HG12 ILE 87 HG12 ILE 87 2.819 -7.445 -5.382 649 HG13 ILE 87 HG13 ILE 87 3.291 -9.129 -5.151 650 HG21 ILE 87 HG21 ILE 87 4.190 -5.876 -6.380 651 HG22 ILE 87 HG22 ILE 87 5.844 -6.223 -6.882 652 HG23 ILE 87 HG23 ILE 87 5.471 -6.001 -5.174 653 HD11 ILE 87 HD11 ILE 87 3.131 -7.454 -3.087 654 HD12 ILE 87 HD12 ILE 87 4.763 -7.034 -3.606 655 HD13 ILE 87 HD13 ILE 87 4.380 -8.697 -3.157 656 H ALA 88 H ALA 88 4.988 -6.536 -8.929 657 HA ALA 88 HA ALA 88 2.418 -5.339 -8.944 658 HB1 ALA 88 HB1 ALA 88 4.755 -5.101 -10.848 659 HB2 ALA 88 HB2 ALA 88 4.338 -4.010 -9.527 660 HB3 ALA 88 HB3 ALA 88 3.302 -4.106 -10.950 661 H GLU 89 H GLU 89 4.012 -7.654 -11.090 662 HA GLU 89 HA GLU 89 2.078 -7.681 -13.140 663 HB2 GLU 89 HB2 GLU 89 4.346 -8.698 -13.309 664 HB3 GLU 89 HB3 GLU 89 3.817 -9.982 -12.221 665 HG2 GLU 89 HG2 GLU 89 1.986 -10.534 -13.821 666 HG3 GLU 89 HG3 GLU 89 2.623 -9.318 -14.927 667 H ASN 90 H ASN 90 2.307 -9.434 -10.084 668 HA ASN 90 HA ASN 90 0.256 -11.301 -10.497 669 HB2 ASN 90 HB2 ASN 90 1.156 -9.942 -7.947 670 HB3 ASN 90 HB3 ASN 90 0.089 -11.344 -8.011 671 HD21 ASN 90 HD21 ASN 90 2.644 -11.476 -6.718 672 HD22 ASN 90 HD22 ASN 90 3.640 -12.518 -7.616 673 H LEU 91 H LEU 91 0.157 -7.936 -9.428 674 HA LEU 91 HA LEU 91 -2.543 -7.838 -8.638 675 HB2 LEU 91 HB2 LEU 91 -0.859 -6.056 -8.187 676 HB3 LEU 91 HB3 LEU 91 -0.912 -5.618 -9.893 677 HG LEU 91 HG LEU 91 -3.392 -5.254 -9.653 678 HD11 LEU 91 HD11 LEU 91 -3.945 -4.805 -7.096 679 HD12 LEU 91 HD12 LEU 91 -2.687 -6.015 -6.841 680 HD13 LEU 91 HD13 LEU 91 -4.121 -6.419 -7.784 681 HD21 LEU 91 HD21 LEU 91 -1.820 -3.366 -9.566 682 HD22 LEU 91 HD22 LEU 91 -1.580 -3.630 -7.839 683 HD23 LEU 91 HD23 LEU 91 -3.151 -3.101 -8.440 684 H VAL 92 H VAL 92 -1.004 -7.446 -11.797 685 HA VAL 92 HA VAL 92 -3.270 -6.559 -13.222 686 HB VAL 92 HB VAL 92 -0.839 -8.118 -14.121 687 HG11 VAL 92 HG11 VAL 92 -2.062 -8.505 -15.994 688 HG12 VAL 92 HG12 VAL 92 -1.833 -6.787 -16.321 689 HG13 VAL 92 HG13 VAL 92 -3.306 -7.346 -15.527 690 HG21 VAL 92 HG21 VAL 92 -0.715 -5.700 -13.167 691 HG22 VAL 92 HG22 VAL 92 -1.517 -5.228 -14.665 692 HG23 VAL 92 HG23 VAL 92 0.060 -6.018 -14.720 693 H LEU 93 H LEU 93 -2.028 -9.819 -12.568 694 HA LEU 93 HA LEU 93 -3.888 -11.234 -14.147 695 HB2 LEU 93 HB2 LEU 93 -2.530 -12.135 -11.594 696 HB3 LEU 93 HB3 LEU 93 -3.261 -13.182 -12.810 697 HG LEU 93 HG LEU 93 -0.904 -11.323 -13.245 698 HD11 LEU 93 HD11 LEU 93 -0.268 -13.979 -13.897 699 HD12 LEU 93 HD12 LEU 93 -1.158 -14.083 -12.378 700 HD13 LEU 93 HD13 LEU 93 0.288 -13.079 -12.486 701 HD21 LEU 93 HD21 LEU 93 -0.919 -12.813 -15.444 702 HD22 LEU 93 HD22 LEU 93 -1.906 -11.355 -15.342 703 HD23 LEU 93 HD23 LEU 93 -2.641 -12.938 -15.081 704 H THR 94 H THR 94 -4.026 -10.037 -10.830 705 HA THR 94 HA THR 94 -6.344 -11.382 -9.989 706 HB THR 94 HB THR 94 -5.451 -8.602 -9.193 707 HG1 THR 94 HG1 THR 94 -3.922 -10.457 -9.043 708 HG21 THR 94 HG21 THR 94 -6.531 -9.443 -6.997 709 HG22 THR 94 HG22 THR 94 -7.304 -10.664 -8.009 710 HG23 THR 94 HG23 THR 94 -7.608 -8.951 -8.304 711 H LEU 95 H LEU 95 -5.933 -8.303 -11.699 712 HA LEU 95 HA LEU 95 -8.643 -7.514 -11.670 713 HB2 LEU 95 HB2 LEU 95 -6.530 -6.905 -13.753 714 HB3 LEU 95 HB3 LEU 95 -8.031 -6.013 -13.503 715 HG LEU 95 HG LEU 95 -5.773 -6.305 -11.497 716 HD11 LEU 95 HD11 LEU 95 -5.598 -3.835 -11.822 717 HD12 LEU 95 HD12 LEU 95 -6.803 -3.949 -13.106 718 HD13 LEU 95 HD13 LEU 95 -5.237 -4.741 -13.293 719 HD21 LEU 95 HD21 LEU 95 -8.568 -5.224 -11.329 720 HD22 LEU 95 HD22 LEU 95 -7.292 -4.425 -10.409 721 HD23 LEU 95 HD23 LEU 95 -7.648 -6.129 -10.126 722 H GLN 96 H GLN 96 -6.801 -9.594 -13.842 723 HA GLN 96 HA GLN 96 -8.685 -9.816 -15.917 724 HB2 GLN 96 HB2 GLN 96 -6.658 -11.822 -14.901 725 HB3 GLN 96 HB3 GLN 96 -7.546 -11.977 -16.418 726 HG2 GLN 96 HG2 GLN 96 -6.597 -9.861 -17.216 727 HG3 GLN 96 HG3 GLN 96 -5.744 -9.650 -15.689 728 HE21 GLN 96 HE21 GLN 96 -4.286 -9.778 -18.125 729 HE22 GLN 96 HE22 GLN 96 -3.400 -11.226 -18.155 730 H GLU 97 H GLU 97 -8.381 -11.504 -12.838 731 HA GLU 97 HA GLU 97 -10.322 -13.508 -13.305 732 HB2 GLU 97 HB2 GLU 97 -9.403 -12.219 -10.725 733 HB3 GLU 97 HB3 GLU 97 -10.406 -13.667 -10.819 734 HG2 GLU 97 HG2 GLU 97 -8.628 -14.787 -12.143 735 HG3 GLU 97 HG3 GLU 97 -7.618 -13.352 -11.970 736 H LEU 98 H LEU 98 -10.537 -10.160 -12.311 737 HA LEU 98 HA LEU 98 -13.330 -10.342 -11.560 738 HB2 LEU 98 HB2 LEU 98 -11.613 -7.889 -12.012 739 HB3 LEU 98 HB3 LEU 98 -13.171 -7.944 -11.188 740 HG LEU 98 HG LEU 98 -10.627 -9.335 -10.297 741 HD11 LEU 98 HD11 LEU 98 -11.763 -6.718 -9.801 742 HD12 LEU 98 HD12 LEU 98 -10.220 -7.378 -9.258 743 HD13 LEU 98 HD13 LEU 98 -11.678 -7.645 -8.303 744 HD21 LEU 98 HD21 LEU 98 -12.305 -10.780 -9.554 745 HD22 LEU 98 HD22 LEU 98 -13.491 -9.483 -9.398 746 HD23 LEU 98 HD23 LEU 98 -12.203 -9.649 -8.204 747 H ASN 99 H ASN 99 -11.841 -10.490 -14.461 748 HA ASN 99 HA ASN 99 -12.541 -10.185 -16.629 749 HB2 ASN 99 HB2 ASN 99 -14.661 -11.162 -15.551 750 HB3 ASN 99 HB3 ASN 99 -15.265 -9.506 -15.535 751 HD21 ASN 99 HD21 ASN 99 -16.829 -10.936 -17.102 752 HD22 ASN 99 HD22 ASN 99 -16.443 -10.804 -18.749 753 H VAL 100 H VAL 100 -11.217 -8.065 -15.641 754 HA VAL 100 HA VAL 100 -12.812 -5.678 -16.308 755 HB VAL 100 HB VAL 100 -10.085 -5.877 -15.004 756 HG11 VAL 100 HG11 VAL 100 -11.441 -3.714 -16.252 757 HG12 VAL 100 HG12 VAL 100 -9.966 -3.649 -15.288 758 HG13 VAL 100 HG13 VAL 100 -11.536 -3.443 -14.512 759 HG21 VAL 100 HG21 VAL 100 -12.487 -4.910 -13.539 760 HG22 VAL 100 HG22 VAL 100 -11.120 -5.859 -12.955 761 HG23 VAL 100 HG23 VAL 100 -12.416 -6.643 -13.859 762 H SER 101 H SER 101 -12.315 -4.398 -18.025 763 HA SER 101 HA SER 101 -10.970 -5.446 -20.233 764 HB2 SER 101 HB2 SER 101 -12.631 -3.607 -20.342 765 HB3 SER 101 HB3 SER 101 -11.451 -2.524 -19.610 766 HG SER 101 HG SER 101 -11.323 -3.863 -22.105 767 H GLN 102 H GLN 102 -8.942 -5.192 -21.083 768 HA GLN 102 HA GLN 102 -6.762 -4.960 -19.345 769 HB2 GLN 102 HB2 GLN 102 -6.754 -6.090 -21.582 770 HB3 GLN 102 HB3 GLN 102 -6.720 -4.495 -22.334 771 HG2 GLN 102 HG2 GLN 102 -4.443 -5.231 -22.201 772 HG3 GLN 102 HG3 GLN 102 -4.649 -4.008 -20.948 773 HE21 GLN 102 HE21 GLN 102 -3.316 -4.728 -19.257 774 HE22 GLN 102 HE22 GLN 102 -3.380 -6.287 -18.591 775 H ASP 103 H ASP 103 -8.326 -2.545 -21.402 776 HA ASP 103 HA ASP 103 -6.418 -0.515 -21.276 777 HB2 ASP 103 HB2 ASP 103 -9.434 -0.343 -21.357 778 HB3 ASP 103 HB3 ASP 103 -8.363 1.037 -21.585 779 H LEU 104 H LEU 104 -9.020 -1.316 -18.994 780 HA LEU 104 HA LEU 104 -8.551 0.875 -17.242 781 HB2 LEU 104 HB2 LEU 104 -9.791 -1.828 -16.661 782 HB3 LEU 104 HB3 LEU 104 -9.907 -0.399 -15.632 783 HG LEU 104 HG LEU 104 -10.928 -0.613 -18.481 784 HD11 LEU 104 HD11 LEU 104 -12.173 -0.898 -15.777 785 HD12 LEU 104 HD12 LEU 104 -12.541 -1.751 -17.275 786 HD13 LEU 104 HD13 LEU 104 -13.111 -0.100 -17.039 787 HD21 LEU 104 HD21 LEU 104 -10.614 1.638 -16.538 788 HD22 LEU 104 HD22 LEU 104 -12.067 1.613 -17.536 789 HD23 LEU 104 HD23 LEU 104 -10.475 1.650 -18.295 790 H ILE 105 H ILE 105 -7.276 -2.404 -17.441 791 HA ILE 105 HA ILE 105 -5.960 -2.500 -14.957 792 HB ILE 105 HB ILE 105 -5.185 -3.810 -17.574 793 HG12 ILE 105 HG12 ILE 105 -6.822 -4.858 -15.242 794 HG13 ILE 105 HG13 ILE 105 -7.508 -4.287 -16.764 795 HG21 ILE 105 HG21 ILE 105 -3.961 -3.769 -14.948 796 HG22 ILE 105 HG22 ILE 105 -3.388 -4.539 -16.427 797 HG23 ILE 105 HG23 ILE 105 -4.493 -5.400 -15.356 798 HD11 ILE 105 HD11 ILE 105 -7.224 -6.366 -17.581 799 HD12 ILE 105 HD12 ILE 105 -6.315 -6.859 -16.153 800 HD13 ILE 105 HD13 ILE 105 -5.484 -6.090 -17.505 801 H ASP 106 H ASP 106 -4.930 -1.262 -18.111 802 HA ASP 106 HA ASP 106 -2.238 -0.767 -17.511 803 HB2 ASP 106 HB2 ASP 106 -4.139 0.685 -19.362 804 HB3 ASP 106 HB3 ASP 106 -2.401 0.971 -19.315 805 H GLU 107 H GLU 107 -5.133 1.195 -16.955 806 HA GLU 107 HA GLU 107 -3.830 3.540 -16.081 807 HB2 GLU 107 HB2 GLU 107 -6.246 3.397 -16.676 808 HB3 GLU 107 HB3 GLU 107 -6.525 2.488 -15.191 809 HG2 GLU 107 HG2 GLU 107 -5.586 4.396 -13.889 810 HG3 GLU 107 HG3 GLU 107 -5.432 5.308 -15.389 811 H VAL 108 H VAL 108 -4.792 0.592 -14.407 812 HA VAL 108 HA VAL 108 -4.323 1.474 -11.763 813 HB VAL 108 HB VAL 108 -4.200 -1.291 -12.986 814 HG11 VAL 108 HG11 VAL 108 -3.047 -1.664 -11.019 815 HG12 VAL 108 HG12 VAL 108 -4.696 -1.775 -10.407 816 HG13 VAL 108 HG13 VAL 108 -3.779 -0.282 -10.204 817 HG21 VAL 108 HG21 VAL 108 -6.337 -0.325 -11.129 818 HG22 VAL 108 HG22 VAL 108 -6.448 -1.466 -12.470 819 HG23 VAL 108 HG23 VAL 108 -6.366 0.266 -12.791 820 H VAL 109 H VAL 109 -2.223 -0.012 -14.191 821 HA VAL 109 HA VAL 109 0.028 -0.445 -12.560 822 HB VAL 109 HB VAL 109 -0.196 0.123 -15.522 823 HG11 VAL 109 HG11 VAL 109 2.149 -0.385 -13.739 824 HG12 VAL 109 HG12 VAL 109 2.044 0.595 -15.201 825 HG13 VAL 109 HG13 VAL 109 2.135 -1.162 -15.322 826 HG21 VAL 109 HG21 VAL 109 -1.038 -2.053 -14.093 827 HG22 VAL 109 HG22 VAL 109 0.618 -2.521 -14.475 828 HG23 VAL 109 HG23 VAL 109 -0.509 -2.124 -15.773 829 H THR 110 H THR 110 -0.998 2.383 -14.433 830 HA THR 110 HA THR 110 1.312 3.943 -14.099 831 HB THR 110 HB THR 110 -1.546 4.917 -14.287 832 HG1 THR 110 HG1 THR 110 -1.243 3.702 -16.050 833 HG21 THR 110 HG21 THR 110 0.909 6.282 -13.949 834 HG22 THR 110 HG22 THR 110 -0.660 6.980 -14.348 835 HG23 THR 110 HG23 THR 110 0.444 6.501 -15.636 836 H ILE 111 H ILE 111 -1.569 3.596 -12.055 837 HA ILE 111 HA ILE 111 -1.005 5.630 -10.211 838 HB ILE 111 HB ILE 111 -2.382 2.975 -9.737 839 HG12 ILE 111 HG12 ILE 111 -3.518 5.712 -10.400 840 HG13 ILE 111 HG13 ILE 111 -3.345 4.396 -11.562 841 HG21 ILE 111 HG21 ILE 111 -2.349 5.572 -8.171 842 HG22 ILE 111 HG22 ILE 111 -1.764 4.001 -7.626 843 HG23 ILE 111 HG23 ILE 111 -3.490 4.259 -7.880 844 HD11 ILE 111 HD11 ILE 111 -5.199 3.360 -10.799 845 HD12 ILE 111 HD12 ILE 111 -5.541 4.837 -9.899 846 HD13 ILE 111 HD13 ILE 111 -4.674 3.513 -9.122 847 H VAL 112 H VAL 112 -0.175 2.165 -10.071 848 HA VAL 112 HA VAL 112 1.482 2.562 -7.725 849 HB VAL 112 HB VAL 112 1.911 0.168 -7.880 850 HG11 VAL 112 HG11 VAL 112 -0.980 0.411 -8.635 851 HG12 VAL 112 HG12 VAL 112 -0.406 1.234 -7.185 852 HG13 VAL 112 HG13 VAL 112 -0.242 -0.515 -7.330 853 HG21 VAL 112 HG21 VAL 112 2.192 -0.248 -10.192 854 HG22 VAL 112 HG22 VAL 112 0.667 0.538 -10.604 855 HG23 VAL 112 HG23 VAL 112 0.662 -1.037 -9.810 856 H GLY 113 H GLY 113 1.856 2.649 -11.133 857 HA2 GLY 113 HA2 GLY 113 4.727 2.144 -11.072 858 HA3 GLY 113 HA3 GLY 113 3.757 2.497 -12.498 859 H SER 114 H SER 114 4.737 4.092 -9.454 860 HA SER 114 HA SER 114 5.116 6.584 -11.005 861 HB2 SER 114 HB2 SER 114 4.451 6.272 -8.069 862 HB3 SER 114 HB3 SER 114 4.684 7.799 -8.915 863 HG SER 114 HG SER 114 2.773 7.596 -9.798 864 H VAL 115 H VAL 115 6.995 7.753 -10.710 865 HA VAL 115 HA VAL 115 9.332 6.314 -10.040 866 HB VAL 115 HB VAL 115 8.854 9.279 -10.404 867 HG11 VAL 115 HG11 VAL 115 10.850 9.228 -9.173 868 HG12 VAL 115 HG12 VAL 115 11.432 9.141 -10.836 869 HG13 VAL 115 HG13 VAL 115 11.343 7.678 -9.855 870 HG21 VAL 115 HG21 VAL 115 8.467 7.781 -12.374 871 HG22 VAL 115 HG22 VAL 115 10.121 7.192 -12.209 872 HG23 VAL 115 HG23 VAL 115 9.824 8.883 -12.610 873 H GLN 116 H GLN 116 7.445 8.734 -8.258 874 HA GLN 116 HA GLN 116 9.188 9.080 -6.088 875 HB2 GLN 116 HB2 GLN 116 7.180 10.484 -6.566 876 HB3 GLN 116 HB3 GLN 116 6.163 9.153 -6.011 877 HG2 GLN 116 HG2 GLN 116 7.261 9.219 -3.808 878 HG3 GLN 116 HG3 GLN 116 8.297 10.535 -4.358 879 HE21 GLN 116 HE21 GLN 116 6.730 11.090 -2.154 880 HE22 GLN 116 HE22 GLN 116 5.441 12.108 -2.581 881 H HIS 117 H HIS 117 6.546 6.744 -6.565 882 HA HIS 117 HA HIS 117 6.740 5.535 -4.014 883 HB2 HIS 117 HB2 HIS 117 4.848 5.314 -5.726 884 HB3 HIS 117 HB3 HIS 117 5.863 4.109 -6.521 885 HD1 HIS 117 HD1 HIS 117 5.803 4.493 -2.784 886 HD2 HIS 117 HD2 HIS 117 4.271 1.908 -5.673 887 HE1 HIS 117 HE1 HIS 117 4.881 2.501 -1.535 888 H ARG 118 H ARG 118 8.234 4.776 -7.137 889 HA ARG 118 HA ARG 118 9.515 2.392 -6.427 890 HB2 ARG 118 HB2 ARG 118 9.355 3.271 -8.741 891 HB3 ARG 118 HB3 ARG 118 10.516 4.531 -8.323 892 HG2 ARG 118 HG2 ARG 118 12.175 2.782 -7.731 893 HG3 ARG 118 HG3 ARG 118 11.019 1.543 -8.220 894 HD2 ARG 118 HD2 ARG 118 10.951 2.564 -10.496 895 HD3 ARG 118 HD3 ARG 118 12.199 3.699 -9.992 896 HE ARG 118 HE ARG 118 13.037 1.020 -9.508 897 HH11 ARG 118 HH11 ARG 118 12.489 3.358 -12.000 898 HH12 ARG 118 HH12 ARG 118 13.674 2.693 -13.075 899 HH21 ARG 118 HH21 ARG 118 14.593 0.142 -10.912 900 HH22 ARG 118 HH22 ARG 118 14.865 0.873 -12.460 901 H ASN 119 H ASN 119 10.576 5.764 -6.086 902 HA ASN 119 HA ASN 119 13.180 5.231 -5.144 903 HB2 ASN 119 HB2 ASN 119 11.342 7.573 -4.608 904 HB3 ASN 119 HB3 ASN 119 13.055 7.533 -4.191 905 HD21 ASN 119 HD21 ASN 119 12.051 9.462 -6.041 906 HD22 ASN 119 HD22 ASN 119 12.667 9.102 -7.582 907 H ASP 120 H ASP 120 10.077 5.530 -3.477 908 HA ASP 120 HA ASP 120 11.039 5.506 -0.832 909 HB2 ASP 120 HB2 ASP 120 8.427 4.523 -1.994 910 HB3 ASP 120 HB3 ASP 120 8.747 4.660 -0.267 911 H VAL 121 H VAL 121 10.252 2.890 -3.074 912 HA VAL 121 HA VAL 121 10.458 0.747 -1.252 913 HB VAL 121 HB VAL 121 10.951 0.859 -4.236 914 HG11 VAL 121 HG11 VAL 121 10.680 -1.489 -2.338 915 HG12 VAL 121 HG12 VAL 121 12.072 -1.096 -3.345 916 HG13 VAL 121 HG13 VAL 121 10.565 -1.625 -4.092 917 HG21 VAL 121 HG21 VAL 121 8.607 -0.576 -3.384 918 HG22 VAL 121 HG22 VAL 121 8.704 0.868 -4.393 919 HG23 VAL 121 HG23 VAL 121 8.603 1.022 -2.639 920 H LEU 122 H LEU 122 12.867 2.359 -3.290 921 HA LEU 122 HA LEU 122 14.995 0.621 -2.324 922 HB2 LEU 122 HB2 LEU 122 15.146 3.078 -4.089 923 HB3 LEU 122 HB3 LEU 122 16.434 1.903 -3.818 924 HG LEU 122 HG LEU 122 13.745 1.337 -5.104 925 HD11 LEU 122 HD11 LEU 122 16.218 2.315 -6.147 926 HD12 LEU 122 HD12 LEU 122 14.767 1.856 -7.039 927 HD13 LEU 122 HD13 LEU 122 16.015 0.655 -6.707 928 HD21 LEU 122 HD21 LEU 122 15.982 -0.400 -4.124 929 HD22 LEU 122 HD22 LEU 122 15.145 -0.868 -5.604 930 HD23 LEU 122 HD23 LEU 122 14.244 -0.697 -4.098 931 H ASN 123 H ASN 123 13.400 3.297 -1.156 932 HA ASN 123 HA ASN 123 13.837 4.809 0.516 933 HB2 ASN 123 HB2 ASN 123 16.078 2.864 1.123 934 HB3 ASN 123 HB3 ASN 123 15.519 4.142 2.200 935 HD21 ASN 123 HD21 ASN 123 15.388 1.364 2.940 936 HD22 ASN 123 HD22 ASN 123 13.751 0.928 3.053 937 H ARG 124 H ARG 124 14.811 5.505 -1.984 938 HA ARG 124 HA ARG 124 17.465 6.672 -1.423 939 HB2 ARG 124 HB2 ARG 124 16.025 6.213 -4.047 940 HB3 ARG 124 HB3 ARG 124 17.588 7.015 -3.885 941 HG2 ARG 124 HG2 ARG 124 18.501 4.971 -2.805 942 HG3 ARG 124 HG3 ARG 124 16.950 4.170 -3.052 943 HD2 ARG 124 HD2 ARG 124 18.394 3.519 -4.869 944 HD3 ARG 124 HD3 ARG 124 17.194 4.632 -5.518 945 HE ARG 124 HE ARG 124 19.520 6.054 -4.694 946 HH11 ARG 124 HH11 ARG 124 18.284 3.918 -7.120 947 HH12 ARG 124 HH12 ARG 124 19.346 4.490 -8.362 948 HH21 ARG 124 HH21 ARG 124 20.916 6.810 -6.318 949 HH22 ARG 124 HH22 ARG 124 20.836 6.128 -7.908 950 HHA HEB 125 HHA HEB 125 3.770 -1.732 6.348 951 HHB HEB 125 HHB HEB 125 1.872 1.829 1.475 952 HHC HEB 125 HHC HEB 125 5.312 -1.761 -2.465 953 HHD HEB 125 HHD HEB 125 7.105 -5.370 2.383 954 HMA1 HEB 125 HMA1 HEB 125 1.218 2.640 5.095 955 HMA2 HEB 125 HMA2 HEB 125 0.171 1.933 3.866 956 HMA3 HEB 125 HMA3 HEB 125 1.524 2.958 3.392 957 HAA1 HEB 125 HAA1 HEB 125 1.936 -0.573 6.940 958 HAA2 HEB 125 HAA2 HEB 125 1.141 0.942 6.561 959 HBA1 HEB 125 HBA1 HEB 125 3.212 2.171 6.949 960 HBA2 HEB 125 HBA2 HEB 125 4.082 0.663 7.222 961 HMB1 HEB 125 HMB1 HEB 125 2.307 2.537 -2.182 962 HMB2 HEB 125 HMB2 HEB 125 2.213 2.968 -0.474 963 HMB3 HEB 125 HMB3 HEB 125 1.008 1.891 -1.180 964 HAB2 HEB 125 HAB2 HEB 125 4.284 -0.322 -3.640 965 HBB1 HEB 125 HBB1 HEB 125 1.579 0.152 -3.127 966 HBB2 HEB 125 HBB2 HEB 125 2.314 -0.209 -4.689 967 HBB3 HEB 125 HBB3 HEB 125 2.084 1.466 -4.190 968 HMC1 HEB 125 HMC1 HEB 125 7.572 -3.088 -2.925 969 HMC2 HEB 125 HMC2 HEB 125 6.060 -3.942 -3.235 970 HMC3 HEB 125 HMC3 HEB 125 7.493 -4.841 -2.742 971 HAC HEB 125 HAC HEB 125 8.726 -5.612 0.279 972 HBC1 HEB 125 HBC1 HEB 125 6.416 -6.819 -1.386 973 HBC2 HEB 125 HBC2 HEB 125 8.019 -7.640 -0.928 974 HMD1 HEB 125 HMD1 HEB 125 6.320 -6.619 4.979 975 HMD2 HEB 125 HMD2 HEB 125 7.220 -5.644 6.141 976 HMD3 HEB 125 HMD3 HEB 125 7.782 -5.773 4.481 977 HAD1 HEB 125 HAD1 HEB 125 5.430 -4.961 7.312 978 HAD2 HEB 125 HAD2 HEB 125 4.208 -3.704 7.341 979 HBD1 HEB 125 HBD1 HEB 125 6.145 -2.030 7.447 980 HBD2 HEB 125 HBD2 HEB 125 7.177 -3.417 7.792 Start of MODEL 16 1 H1 ALA 2 H1 ALA 2 -14.674 6.780 -3.960 2 H2 ALA 2 H2 ALA 2 -13.333 6.923 -4.993 3 H3 ALA 2 H3 ALA 2 -14.369 8.248 -4.753 4 HA ALA 2 HA ALA 2 -12.217 8.379 -3.527 5 HB1 ALA 2 HB1 ALA 2 -13.347 9.042 -1.375 6 HB2 ALA 2 HB2 ALA 2 -14.843 8.360 -2.013 7 HB3 ALA 2 HB3 ALA 2 -14.090 9.738 -2.816 8 H SER 3 H SER 3 -14.426 5.770 -2.658 9 HA SER 3 HA SER 3 -12.245 4.531 -1.085 10 HB2 SER 3 HB2 SER 3 -15.229 4.241 -0.673 11 HB3 SER 3 HB3 SER 3 -13.975 3.437 0.267 12 HG SER 3 HG SER 3 -14.989 5.893 0.560 13 H LEU 4 H LEU 4 -11.960 2.286 -1.291 14 HA LEU 4 HA LEU 4 -12.218 1.202 -3.843 15 HB2 LEU 4 HB2 LEU 4 -10.662 0.367 -2.090 16 HB3 LEU 4 HB3 LEU 4 -12.038 -0.327 -1.236 17 HG LEU 4 HG LEU 4 -12.577 -1.646 -3.307 18 HD11 LEU 4 HD11 LEU 4 -10.115 -0.204 -4.223 19 HD12 LEU 4 HD12 LEU 4 -11.585 -0.588 -5.118 20 HD13 LEU 4 HD13 LEU 4 -10.394 -1.848 -4.798 21 HD21 LEU 4 HD21 LEU 4 -10.918 -3.332 -2.887 22 HD22 LEU 4 HD22 LEU 4 -11.178 -2.496 -1.356 23 HD23 LEU 4 HD23 LEU 4 -9.752 -2.132 -2.328 24 H TYR 5 H TYR 5 -14.347 0.955 -1.040 25 HA TYR 5 HA TYR 5 -16.102 -1.018 -1.977 26 HB2 TYR 5 HB2 TYR 5 -16.249 -0.336 0.307 27 HB3 TYR 5 HB3 TYR 5 -16.530 1.346 -0.145 28 HD1 TYR 5 HD1 TYR 5 -17.994 -2.005 -1.045 29 HD2 TYR 5 HD2 TYR 5 -18.714 2.067 0.117 30 HE1 TYR 5 HE1 TYR 5 -20.441 -2.415 -1.106 31 HE2 TYR 5 HE2 TYR 5 -21.157 1.654 0.055 32 HH TYR 5 HH TYR 5 -22.762 0.206 -0.472 33 H GLU 6 H GLU 6 -16.126 2.497 -2.450 34 HA GLU 6 HA GLU 6 -18.590 2.625 -3.833 35 HB2 GLU 6 HB2 GLU 6 -17.408 4.580 -2.832 36 HB3 GLU 6 HB3 GLU 6 -16.208 4.469 -4.121 37 HG2 GLU 6 HG2 GLU 6 -17.839 6.116 -4.789 38 HG3 GLU 6 HG3 GLU 6 -18.092 4.685 -5.784 39 H LYS 7 H LYS 7 -15.255 2.166 -4.945 40 HA LYS 7 HA LYS 7 -15.799 2.361 -7.718 41 HB2 LYS 7 HB2 LYS 7 -13.612 0.769 -6.362 42 HB3 LYS 7 HB3 LYS 7 -13.621 1.339 -8.030 43 HG2 LYS 7 HG2 LYS 7 -13.729 3.152 -5.602 44 HG3 LYS 7 HG3 LYS 7 -12.262 2.791 -6.510 45 HD2 LYS 7 HD2 LYS 7 -13.564 3.614 -8.584 46 HD3 LYS 7 HD3 LYS 7 -14.706 4.305 -7.430 47 HE2 LYS 7 HE2 LYS 7 -12.385 5.178 -6.350 48 HE3 LYS 7 HE3 LYS 7 -11.926 5.127 -8.052 49 HZ1 LYS 7 HZ1 LYS 7 -14.132 6.643 -6.794 50 HZ2 LYS 7 HZ2 LYS 7 -14.086 6.350 -8.468 51 HZ3 LYS 7 HZ3 LYS 7 -12.842 7.237 -7.722 52 H LEU 8 H LEU 8 -15.345 -0.530 -5.661 53 HA LEU 8 HA LEU 8 -16.089 -2.350 -7.728 54 HB2 LEU 8 HB2 LEU 8 -16.061 -2.768 -4.729 55 HB3 LEU 8 HB3 LEU 8 -16.116 -4.037 -5.951 56 HG LEU 8 HG LEU 8 -13.872 -2.037 -5.544 57 HD11 LEU 8 HD11 LEU 8 -12.691 -4.403 -5.291 58 HD12 LEU 8 HD12 LEU 8 -14.317 -4.910 -4.832 59 HD13 LEU 8 HD13 LEU 8 -13.496 -3.644 -3.919 60 HD21 LEU 8 HD21 LEU 8 -14.494 -4.020 -7.711 61 HD22 LEU 8 HD22 LEU 8 -12.811 -3.736 -7.269 62 HD23 LEU 8 HD23 LEU 8 -13.807 -2.401 -7.847 63 H GLY 9 H GLY 9 -17.841 -0.776 -5.101 64 HA2 GLY 9 HA2 GLY 9 -20.129 -0.329 -5.000 65 HA3 GLY 9 HA3 GLY 9 -20.361 -1.314 -6.441 66 H GLY 10 H GLY 10 -18.459 -2.862 -4.105 67 HA2 GLY 10 HA2 GLY 10 -20.686 -4.070 -2.661 68 HA3 GLY 10 HA3 GLY 10 -19.800 -5.143 -3.739 69 H ALA 11 H ALA 11 -19.991 -4.045 -0.618 70 HA ALA 11 HA ALA 11 -17.275 -3.818 0.148 71 HB1 ALA 11 HB1 ALA 11 -19.827 -3.771 1.426 72 HB2 ALA 11 HB2 ALA 11 -18.273 -3.235 2.064 73 HB3 ALA 11 HB3 ALA 11 -18.794 -4.904 2.298 74 H ALA 12 H ALA 12 -19.497 -6.569 -0.021 75 HA ALA 12 HA ALA 12 -17.774 -8.470 1.180 76 HB1 ALA 12 HB1 ALA 12 -20.374 -8.456 0.132 77 HB2 ALA 12 HB2 ALA 12 -19.555 -9.808 0.913 78 HB3 ALA 12 HB3 ALA 12 -19.490 -9.633 -0.840 79 H ALA 13 H ALA 13 -18.143 -7.292 -2.109 80 HA ALA 13 HA ALA 13 -16.616 -9.264 -3.430 81 HB1 ALA 13 HB1 ALA 13 -18.116 -7.345 -4.380 82 HB2 ALA 13 HB2 ALA 13 -16.702 -7.871 -5.293 83 HB3 ALA 13 HB3 ALA 13 -16.627 -6.400 -4.322 84 H VAL 14 H VAL 14 -15.716 -6.404 -1.611 85 HA VAL 14 HA VAL 14 -13.069 -6.100 -2.501 86 HB VAL 14 HB VAL 14 -14.315 -5.537 0.198 87 HG11 VAL 14 HG11 VAL 14 -11.564 -5.040 -0.915 88 HG12 VAL 14 HG12 VAL 14 -12.029 -5.590 0.696 89 HG13 VAL 14 HG13 VAL 14 -12.264 -3.903 0.238 90 HG21 VAL 14 HG21 VAL 14 -14.928 -3.513 -0.663 91 HG22 VAL 14 HG22 VAL 14 -14.829 -4.358 -2.208 92 HG23 VAL 14 HG23 VAL 14 -13.471 -3.380 -1.649 93 H ASP 15 H ASP 15 -14.394 -8.034 0.179 94 HA ASP 15 HA ASP 15 -11.914 -9.048 1.083 95 HB2 ASP 15 HB2 ASP 15 -14.718 -10.156 1.315 96 HB3 ASP 15 HB3 ASP 15 -13.320 -10.821 2.159 97 H LEU 16 H LEU 16 -14.277 -10.274 -1.260 98 HA LEU 16 HA LEU 16 -13.032 -12.770 -1.721 99 HB2 LEU 16 HB2 LEU 16 -14.742 -11.120 -3.597 100 HB3 LEU 16 HB3 LEU 16 -14.374 -12.835 -3.777 101 HG LEU 16 HG LEU 16 -15.856 -11.575 -1.449 102 HD11 LEU 16 HD11 LEU 16 -17.501 -11.670 -3.054 103 HD12 LEU 16 HD12 LEU 16 -17.575 -13.348 -2.516 104 HD13 LEU 16 HD13 LEU 16 -16.676 -12.928 -3.975 105 HD21 LEU 16 HD21 LEU 16 -16.291 -14.201 -1.170 106 HD22 LEU 16 HD22 LEU 16 -14.885 -13.419 -0.447 107 HD23 LEU 16 HD23 LEU 16 -14.723 -14.292 -1.971 108 H ALA 17 H ALA 17 -12.607 -9.592 -3.227 109 HA ALA 17 HA ALA 17 -10.915 -10.442 -5.332 110 HB1 ALA 17 HB1 ALA 17 -11.354 -7.802 -3.954 111 HB2 ALA 17 HB2 ALA 17 -11.830 -8.289 -5.581 112 HB3 ALA 17 HB3 ALA 17 -10.132 -7.984 -5.213 113 H VAL 18 H VAL 18 -10.246 -9.295 -2.047 114 HA VAL 18 HA VAL 18 -7.416 -9.311 -2.289 115 HB VAL 18 HB VAL 18 -9.224 -9.475 0.129 116 HG11 VAL 18 HG11 VAL 18 -7.318 -10.178 1.161 117 HG12 VAL 18 HG12 VAL 18 -6.835 -8.488 1.014 118 HG13 VAL 18 HG13 VAL 18 -6.289 -9.668 -0.177 119 HG21 VAL 18 HG21 VAL 18 -8.843 -7.129 0.319 120 HG22 VAL 18 HG22 VAL 18 -9.193 -7.400 -1.388 121 HG23 VAL 18 HG23 VAL 18 -7.527 -7.171 -0.855 122 H GLU 19 H GLU 19 -9.774 -11.732 -1.248 123 HA GLU 19 HA GLU 19 -8.020 -13.621 -0.165 124 HB2 GLU 19 HB2 GLU 19 -10.500 -13.726 -0.018 125 HB3 GLU 19 HB3 GLU 19 -10.553 -14.182 -1.721 126 HG2 GLU 19 HG2 GLU 19 -9.106 -16.147 -1.202 127 HG3 GLU 19 HG3 GLU 19 -9.182 -15.715 0.506 128 H LYS 20 H LYS 20 -9.122 -13.231 -3.535 129 HA LYS 20 HA LYS 20 -7.750 -15.481 -4.567 130 HB2 LYS 20 HB2 LYS 20 -8.467 -12.908 -5.994 131 HB3 LYS 20 HB3 LYS 20 -8.079 -14.447 -6.758 132 HG2 LYS 20 HG2 LYS 20 -10.393 -14.040 -4.843 133 HG3 LYS 20 HG3 LYS 20 -10.546 -14.006 -6.598 134 HD2 LYS 20 HD2 LYS 20 -9.429 -16.337 -6.549 135 HD3 LYS 20 HD3 LYS 20 -9.808 -16.336 -4.826 136 HE2 LYS 20 HE2 LYS 20 -12.209 -15.734 -5.529 137 HE3 LYS 20 HE3 LYS 20 -11.723 -16.221 -7.153 138 HZ1 LYS 20 HZ1 LYS 20 -12.404 -18.219 -6.387 139 HZ2 LYS 20 HZ2 LYS 20 -12.100 -17.840 -4.760 140 HZ3 LYS 20 HZ3 LYS 20 -10.820 -18.283 -5.784 141 H PHE 21 H PHE 21 -6.807 -12.098 -4.155 142 HA PHE 21 HA PHE 21 -4.331 -12.262 -5.511 143 HB2 PHE 21 HB2 PHE 21 -5.499 -10.139 -4.894 144 HB3 PHE 21 HB3 PHE 21 -5.045 -10.428 -3.214 145 HD1 PHE 21 HD1 PHE 21 -3.603 -10.090 -6.648 146 HD2 PHE 21 HD2 PHE 21 -2.926 -9.771 -2.419 147 HE1 PHE 21 HE1 PHE 21 -1.369 -9.107 -7.080 148 HE2 PHE 21 HE2 PHE 21 -0.689 -8.787 -2.854 149 HZ PHE 21 HZ PHE 21 0.088 -8.456 -5.183 150 H TYR 22 H TYR 22 -5.213 -12.732 -2.104 151 HA TYR 22 HA TYR 22 -2.622 -13.040 -1.072 152 HB2 TYR 22 HB2 TYR 22 -4.598 -12.774 0.359 153 HB3 TYR 22 HB3 TYR 22 -5.185 -14.360 -0.147 154 HD1 TYR 22 HD1 TYR 22 -2.551 -12.571 1.742 155 HD2 TYR 22 HD2 TYR 22 -4.180 -16.399 0.670 156 HE1 TYR 22 HE1 TYR 22 -1.153 -13.654 3.480 157 HE2 TYR 22 HE2 TYR 22 -2.782 -17.481 2.408 158 HH TYR 22 HH TYR 22 -0.887 -15.581 4.688 159 H GLY 23 H GLY 23 -4.835 -15.409 -2.515 160 HA2 GLY 23 HA2 GLY 23 -3.421 -17.750 -1.953 161 HA3 GLY 23 HA3 GLY 23 -4.459 -17.520 -3.356 162 H LYS 24 H LYS 24 -2.980 -15.384 -4.538 163 HA LYS 24 HA LYS 24 -0.914 -16.946 -5.828 164 HB2 LYS 24 HB2 LYS 24 -2.494 -15.435 -7.059 165 HB3 LYS 24 HB3 LYS 24 -1.668 -14.062 -6.322 166 HG2 LYS 24 HG2 LYS 24 0.487 -14.910 -7.286 167 HG3 LYS 24 HG3 LYS 24 -0.431 -16.157 -8.134 168 HD2 LYS 24 HD2 LYS 24 -0.946 -13.183 -8.413 169 HD3 LYS 24 HD3 LYS 24 0.027 -14.127 -9.541 170 HE2 LYS 24 HE2 LYS 24 -2.291 -15.629 -9.323 171 HE3 LYS 24 HE3 LYS 24 -2.889 -13.972 -9.271 172 HZ1 LYS 24 HZ1 LYS 24 -2.378 -13.655 -11.398 173 HZ2 LYS 24 HZ2 LYS 24 -2.218 -15.342 -11.510 174 HZ3 LYS 24 HZ3 LYS 24 -0.848 -14.373 -11.244 175 H VAL 25 H VAL 25 -1.095 -14.248 -3.575 176 HA VAL 25 HA VAL 25 1.555 -13.330 -3.768 177 HB VAL 25 HB VAL 25 -0.388 -13.332 -1.458 178 HG11 VAL 25 HG11 VAL 25 1.178 -11.502 -0.593 179 HG12 VAL 25 HG12 VAL 25 2.368 -12.120 -1.738 180 HG13 VAL 25 HG13 VAL 25 1.768 -13.158 -0.445 181 HG21 VAL 25 HG21 VAL 25 0.439 -10.814 -2.705 182 HG22 VAL 25 HG22 VAL 25 -1.182 -11.425 -2.372 183 HG23 VAL 25 HG23 VAL 25 -0.340 -11.915 -3.842 184 H LEU 26 H LEU 26 0.141 -15.770 -1.584 185 HA LEU 26 HA LEU 26 2.718 -16.371 -0.433 186 HB2 LEU 26 HB2 LEU 26 1.567 -17.515 1.155 187 HB3 LEU 26 HB3 LEU 26 0.215 -16.594 0.525 188 HG LEU 26 HG LEU 26 -0.550 -18.835 0.665 189 HD11 LEU 26 HD11 LEU 26 0.023 -19.262 -2.126 190 HD12 LEU 26 HD12 LEU 26 -0.347 -17.564 -1.833 191 HD13 LEU 26 HD13 LEU 26 -1.491 -18.807 -1.356 192 HD21 LEU 26 HD21 LEU 26 2.123 -19.551 0.412 193 HD22 LEU 26 HD22 LEU 26 1.386 -20.176 -1.064 194 HD23 LEU 26 HD23 LEU 26 0.756 -20.657 0.507 195 H ALA 27 H ALA 27 1.044 -17.310 -3.234 196 HA ALA 27 HA ALA 27 1.949 -19.979 -3.525 197 HB1 ALA 27 HB1 ALA 27 1.398 -17.965 -5.716 198 HB2 ALA 27 HB2 ALA 27 0.155 -18.913 -4.900 199 HB3 ALA 27 HB3 ALA 27 1.387 -19.722 -5.867 200 H ASP 28 H ASP 28 3.378 -16.848 -4.322 201 HA ASP 28 HA ASP 28 5.723 -18.102 -5.522 202 HB2 ASP 28 HB2 ASP 28 4.784 -16.012 -6.473 203 HB3 ASP 28 HB3 ASP 28 5.149 -15.182 -4.963 204 H GLU 29 H GLU 29 7.181 -18.946 -4.187 205 HA GLU 29 HA GLU 29 7.475 -18.191 -1.458 206 HB2 GLU 29 HB2 GLU 29 9.257 -19.836 -3.266 207 HB3 GLU 29 HB3 GLU 29 9.456 -19.692 -1.519 208 HG2 GLU 29 HG2 GLU 29 7.147 -20.564 -1.209 209 HG3 GLU 29 HG3 GLU 29 7.015 -20.776 -2.953 210 H ARG 30 H ARG 30 8.912 -17.094 -4.420 211 HA ARG 30 HA ARG 30 11.345 -16.074 -3.556 212 HB2 ARG 30 HB2 ARG 30 9.435 -14.947 -5.614 213 HB3 ARG 30 HB3 ARG 30 11.118 -14.453 -5.428 214 HG2 ARG 30 HG2 ARG 30 11.808 -16.830 -5.788 215 HG3 ARG 30 HG3 ARG 30 10.121 -17.236 -6.103 216 HD2 ARG 30 HD2 ARG 30 11.808 -15.267 -7.673 217 HD3 ARG 30 HD3 ARG 30 11.293 -16.859 -8.219 218 HE ARG 30 HE ARG 30 9.690 -14.455 -8.163 219 HH11 ARG 30 HH11 ARG 30 9.710 -17.914 -8.060 220 HH12 ARG 30 HH12 ARG 30 8.102 -18.080 -8.683 221 HH21 ARG 30 HH21 ARG 30 7.581 -14.665 -8.982 222 HH22 ARG 30 HH22 ARG 30 6.897 -16.240 -9.205 223 H VAL 31 H VAL 31 8.132 -14.534 -3.401 224 HA VAL 31 HA VAL 31 9.236 -12.146 -2.177 225 HB VAL 31 HB VAL 31 6.884 -11.413 -2.041 226 HG11 VAL 31 HG11 VAL 31 8.176 -11.100 -4.131 227 HG12 VAL 31 HG12 VAL 31 6.465 -11.364 -4.466 228 HG13 VAL 31 HG13 VAL 31 7.622 -12.674 -4.701 229 HG21 VAL 31 HG21 VAL 31 6.265 -14.110 -3.282 230 HG22 VAL 31 HG22 VAL 31 5.103 -12.845 -2.889 231 HG23 VAL 31 HG23 VAL 31 5.947 -13.699 -1.597 232 H ASN 32 H ASN 32 7.781 -15.134 -1.155 233 HA ASN 32 HA ASN 32 6.878 -14.448 1.396 234 HB2 ASN 32 HB2 ASN 32 8.084 -17.037 0.408 235 HB3 ASN 32 HB3 ASN 32 7.262 -16.850 1.955 236 HD21 ASN 32 HD21 ASN 32 6.174 -18.649 0.099 237 HD22 ASN 32 HD22 ASN 32 4.731 -18.012 -0.530 238 H ARG 33 H ARG 33 10.133 -14.974 0.214 239 HA ARG 33 HA ARG 33 11.522 -15.510 2.545 240 HB2 ARG 33 HB2 ARG 33 12.325 -13.754 0.219 241 HB3 ARG 33 HB3 ARG 33 13.433 -14.295 1.479 242 HG2 ARG 33 HG2 ARG 33 12.852 -16.659 0.920 243 HG3 ARG 33 HG3 ARG 33 11.858 -16.065 -0.412 244 HD2 ARG 33 HD2 ARG 33 13.870 -14.922 -1.347 245 HD3 ARG 33 HD3 ARG 33 14.840 -15.646 -0.070 246 HE ARG 33 HE ARG 33 13.662 -17.036 -2.363 247 HH11 ARG 33 HH11 ARG 33 15.333 -17.146 0.671 248 HH12 ARG 33 HH12 ARG 33 15.970 -18.736 0.416 249 HH21 ARG 33 HH21 ARG 33 14.498 -19.121 -2.698 250 HH22 ARG 33 HH22 ARG 33 15.497 -19.854 -1.489 251 H PHE 34 H PHE 34 10.384 -12.386 1.332 252 HA PHE 34 HA PHE 34 11.603 -10.840 3.403 253 HB2 PHE 34 HB2 PHE 34 9.360 -10.236 1.469 254 HB3 PHE 34 HB3 PHE 34 10.035 -9.050 2.588 255 HD1 PHE 34 HD1 PHE 34 12.432 -8.379 2.411 256 HD2 PHE 34 HD2 PHE 34 10.561 -10.928 -0.497 257 HE1 PHE 34 HE1 PHE 34 14.294 -7.943 0.832 258 HE2 PHE 34 HE2 PHE 34 12.423 -10.491 -2.076 259 HZ PHE 34 HZ PHE 34 14.288 -8.999 -1.412 260 H PHE 35 H PHE 35 8.615 -12.610 3.129 261 HA PHE 35 HA PHE 35 7.509 -11.307 5.509 262 HB2 PHE 35 HB2 PHE 35 6.348 -13.370 3.628 263 HB3 PHE 35 HB3 PHE 35 5.498 -12.684 5.015 264 HD1 PHE 35 HD1 PHE 35 5.054 -10.210 5.105 265 HD2 PHE 35 HD2 PHE 35 6.589 -12.140 1.589 266 HE1 PHE 35 HE1 PHE 35 4.411 -8.240 3.743 267 HE2 PHE 35 HE2 PHE 35 5.946 -10.170 0.227 268 HZ PHE 35 HZ PHE 35 4.857 -8.219 1.304 269 H VAL 36 H VAL 36 9.763 -13.563 5.173 270 HA VAL 36 HA VAL 36 8.871 -15.826 6.574 271 HB VAL 36 HB VAL 36 11.596 -14.535 6.392 272 HG11 VAL 36 HG11 VAL 36 10.677 -17.028 7.827 273 HG12 VAL 36 HG12 VAL 36 11.712 -15.735 8.432 274 HG13 VAL 36 HG13 VAL 36 12.329 -16.867 7.229 275 HG21 VAL 36 HG21 VAL 36 11.999 -16.079 4.693 276 HG22 VAL 36 HG22 VAL 36 10.287 -15.736 4.439 277 HG23 VAL 36 HG23 VAL 36 10.775 -17.203 5.287 278 H ASN 37 H ASN 37 10.146 -12.736 7.735 279 HA ASN 37 HA ASN 37 9.939 -13.563 10.515 280 HB2 ASN 37 HB2 ASN 37 10.618 -10.878 9.293 281 HB3 ASN 37 HB3 ASN 37 10.745 -11.287 11.003 282 HD21 ASN 37 HD21 ASN 37 12.886 -10.616 8.879 283 HD22 ASN 37 HD22 ASN 37 13.994 -11.895 9.008 284 H THR 38 H THR 38 7.674 -12.864 8.344 285 HA THR 38 HA THR 38 6.006 -11.355 10.270 286 HB THR 38 HB THR 38 5.756 -11.400 7.253 287 HG1 THR 38 HG1 THR 38 6.420 -9.137 8.737 288 HG21 THR 38 HG21 THR 38 3.635 -11.054 8.511 289 HG22 THR 38 HG22 THR 38 4.121 -9.620 7.605 290 HG23 THR 38 HG23 THR 38 4.383 -9.693 9.348 291 H ASP 39 H ASP 39 4.038 -12.188 10.802 292 HA ASP 39 HA ASP 39 3.552 -14.955 10.155 293 HB2 ASP 39 HB2 ASP 39 1.670 -14.773 11.687 294 HB3 ASP 39 HB3 ASP 39 3.093 -14.022 12.406 295 H MET 40 H MET 40 1.502 -15.746 9.323 296 HA MET 40 HA MET 40 0.820 -14.611 6.845 297 HB2 MET 40 HB2 MET 40 -0.669 -16.614 8.556 298 HB3 MET 40 HB3 MET 40 -1.073 -16.237 6.881 299 HG2 MET 40 HG2 MET 40 1.271 -16.866 6.238 300 HG3 MET 40 HG3 MET 40 1.539 -17.389 7.900 301 HE1 MET 40 HE1 MET 40 -1.591 -18.736 8.503 302 HE2 MET 40 HE2 MET 40 0.050 -18.799 9.143 303 HE3 MET 40 HE3 MET 40 -0.708 -20.269 8.533 304 H ALA 41 H ALA 41 -0.665 -14.297 10.035 305 HA ALA 41 HA ALA 41 -3.080 -13.098 9.252 306 HB1 ALA 41 HB1 ALA 41 -1.973 -13.836 11.636 307 HB2 ALA 41 HB2 ALA 41 -3.449 -12.884 11.473 308 HB3 ALA 41 HB3 ALA 41 -1.905 -12.076 11.749 309 H LYS 42 H LYS 42 -0.117 -11.487 10.443 310 HA LYS 42 HA LYS 42 -0.988 -8.867 9.904 311 HB2 LYS 42 HB2 LYS 42 0.945 -9.463 11.373 312 HB3 LYS 42 HB3 LYS 42 1.867 -9.877 9.929 313 HG2 LYS 42 HG2 LYS 42 2.516 -7.657 10.363 314 HG3 LYS 42 HG3 LYS 42 1.277 -7.475 9.124 315 HD2 LYS 42 HD2 LYS 42 -0.388 -6.883 10.768 316 HD3 LYS 42 HD3 LYS 42 0.698 -7.302 12.093 317 HE2 LYS 42 HE2 LYS 42 2.248 -5.499 11.342 318 HE3 LYS 42 HE3 LYS 42 1.079 -5.049 10.100 319 HZ1 LYS 42 HZ1 LYS 42 -0.476 -4.403 11.700 320 HZ2 LYS 42 HZ2 LYS 42 0.997 -3.779 12.274 321 HZ3 LYS 42 HZ3 LYS 42 0.343 -5.189 12.961 322 H GLN 43 H GLN 43 0.669 -11.250 7.914 323 HA GLN 43 HA GLN 43 1.514 -9.649 5.804 324 HB2 GLN 43 HB2 GLN 43 2.020 -12.082 6.107 325 HB3 GLN 43 HB3 GLN 43 0.385 -12.442 5.552 326 HG2 GLN 43 HG2 GLN 43 0.869 -11.208 3.441 327 HG3 GLN 43 HG3 GLN 43 2.529 -10.977 3.988 328 HE21 GLN 43 HE21 GLN 43 1.802 -13.911 5.250 329 HE22 GLN 43 HE22 GLN 43 2.276 -14.917 3.968 330 H LYS 44 H LYS 44 -1.677 -11.144 6.329 331 HA LYS 44 HA LYS 44 -2.813 -10.436 3.862 332 HB2 LYS 44 HB2 LYS 44 -4.109 -10.791 6.571 333 HB3 LYS 44 HB3 LYS 44 -5.003 -10.617 5.060 334 HG2 LYS 44 HG2 LYS 44 -3.620 -12.578 4.178 335 HG3 LYS 44 HG3 LYS 44 -3.104 -12.834 5.844 336 HD2 LYS 44 HD2 LYS 44 -6.002 -12.727 4.964 337 HD3 LYS 44 HD3 LYS 44 -5.093 -14.221 5.198 338 HE2 LYS 44 HE2 LYS 44 -4.585 -13.358 7.558 339 HE3 LYS 44 HE3 LYS 44 -5.840 -12.153 7.271 340 HZ1 LYS 44 HZ1 LYS 44 -7.330 -13.677 7.812 341 HZ2 LYS 44 HZ2 LYS 44 -6.127 -14.867 7.980 342 HZ3 LYS 44 HZ3 LYS 44 -6.865 -14.605 6.471 343 H GLN 45 H GLN 45 -2.430 -8.590 6.844 344 HA GLN 45 HA GLN 45 -4.135 -6.444 6.249 345 HB2 GLN 45 HB2 GLN 45 -3.023 -6.831 8.449 346 HB3 GLN 45 HB3 GLN 45 -1.502 -6.302 7.732 347 HG2 GLN 45 HG2 GLN 45 -2.608 -4.138 7.118 348 HG3 GLN 45 HG3 GLN 45 -4.038 -4.667 8.004 349 HE21 GLN 45 HE21 GLN 45 -4.086 -3.834 10.088 350 HE22 GLN 45 HE22 GLN 45 -2.721 -3.514 11.043 351 H HIS 46 H HIS 46 -0.745 -7.013 5.372 352 HA HIS 46 HA HIS 46 -0.254 -4.501 4.180 353 HB2 HIS 46 HB2 HIS 46 1.489 -6.204 4.788 354 HB3 HIS 46 HB3 HIS 46 0.977 -7.149 3.390 355 HD1 HIS 46 HD1 HIS 46 1.579 -6.247 1.045 356 HD2 HIS 46 HD2 HIS 46 2.859 -3.773 4.147 357 HE1 HIS 46 HE1 HIS 46 3.155 -4.557 0.009 358 H GLN 47 H GLN 47 -1.337 -7.590 2.776 359 HA GLN 47 HA GLN 47 -1.484 -6.720 0.101 360 HB2 GLN 47 HB2 GLN 47 -2.911 -8.900 1.620 361 HB3 GLN 47 HB3 GLN 47 -3.175 -8.626 -0.101 362 HG2 GLN 47 HG2 GLN 47 -1.293 -10.307 0.769 363 HG3 GLN 47 HG3 GLN 47 -1.060 -9.334 -0.679 364 HE21 GLN 47 HE21 GLN 47 0.081 -9.899 2.559 365 HE22 GLN 47 HE22 GLN 47 1.279 -8.697 2.562 366 H LYS 48 H LYS 48 -3.845 -6.591 2.740 367 HA LYS 48 HA LYS 48 -6.066 -5.766 1.216 368 HB2 LYS 48 HB2 LYS 48 -6.176 -6.529 3.583 369 HB3 LYS 48 HB3 LYS 48 -5.414 -5.017 4.076 370 HG2 LYS 48 HG2 LYS 48 -7.280 -3.758 3.018 371 HG3 LYS 48 HG3 LYS 48 -8.060 -5.290 2.620 372 HD2 LYS 48 HD2 LYS 48 -8.054 -5.867 5.058 373 HD3 LYS 48 HD3 LYS 48 -7.430 -4.252 5.396 374 HE2 LYS 48 HE2 LYS 48 -9.881 -4.313 5.658 375 HE3 LYS 48 HE3 LYS 48 -9.419 -3.257 4.323 376 HZ1 LYS 48 HZ1 LYS 48 -10.091 -4.798 2.758 377 HZ2 LYS 48 HZ2 LYS 48 -11.281 -4.963 3.959 378 HZ3 LYS 48 HZ3 LYS 48 -10.026 -6.101 3.841 379 H ASP 49 H ASP 49 -3.642 -3.858 2.996 380 HA ASP 49 HA ASP 49 -4.664 -1.325 2.199 381 HB2 ASP 49 HB2 ASP 49 -1.930 -2.154 3.195 382 HB3 ASP 49 HB3 ASP 49 -2.437 -0.482 2.962 383 H PHE 50 H PHE 50 -2.246 -3.517 0.868 384 HA PHE 50 HA PHE 50 -1.067 -1.816 -1.016 385 HB2 PHE 50 HB2 PHE 50 -0.238 -4.086 -0.427 386 HB3 PHE 50 HB3 PHE 50 -1.597 -4.782 -1.312 387 HD1 PHE 50 HD1 PHE 50 1.525 -2.818 -1.621 388 HD2 PHE 50 HD2 PHE 50 -1.670 -4.770 -3.728 389 HE1 PHE 50 HE1 PHE 50 2.794 -2.608 -3.742 390 HE2 PHE 50 HE2 PHE 50 -0.400 -4.561 -5.848 391 HZ PHE 50 HZ PHE 50 1.832 -3.480 -5.854 392 H MET 51 H MET 51 -3.872 -3.998 -1.396 393 HA MET 51 HA MET 51 -4.371 -3.354 -4.100 394 HB2 MET 51 HB2 MET 51 -5.333 -5.331 -2.967 395 HB3 MET 51 HB3 MET 51 -6.354 -4.264 -2.001 396 HG2 MET 51 HG2 MET 51 -7.348 -3.364 -4.104 397 HG3 MET 51 HG3 MET 51 -6.384 -4.518 -5.024 398 HE1 MET 51 HE1 MET 51 -7.771 -7.881 -4.453 399 HE2 MET 51 HE2 MET 51 -6.452 -7.267 -3.459 400 HE3 MET 51 HE3 MET 51 -6.560 -6.799 -5.153 401 H THR 52 H THR 52 -5.625 -1.965 -1.079 402 HA THR 52 HA THR 52 -7.496 -0.213 -2.241 403 HB THR 52 HB THR 52 -5.896 0.225 0.291 404 HG1 THR 52 HG1 THR 52 -8.347 -0.670 0.713 405 HG21 THR 52 HG21 THR 52 -8.376 1.429 -0.901 406 HG22 THR 52 HG22 THR 52 -7.019 2.232 -0.111 407 HG23 THR 52 HG23 THR 52 -8.200 1.344 0.852 408 H TYR 53 H TYR 53 -4.068 0.224 -1.441 409 HA TYR 53 HA TYR 53 -3.901 2.946 -2.203 410 HB2 TYR 53 HB2 TYR 53 -2.213 1.767 -0.803 411 HB3 TYR 53 HB3 TYR 53 -1.702 0.866 -2.230 412 HD1 TYR 53 HD1 TYR 53 -1.911 4.234 -0.700 413 HD2 TYR 53 HD2 TYR 53 -0.383 1.894 -3.963 414 HE1 TYR 53 HE1 TYR 53 -0.451 6.123 -1.371 415 HE2 TYR 53 HE2 TYR 53 1.078 3.784 -4.634 416 HH TYR 53 HH TYR 53 1.016 6.874 -2.852 417 H ALA 54 H ALA 54 -3.429 -0.078 -3.978 418 HA ALA 54 HA ALA 54 -2.377 1.000 -6.350 419 HB1 ALA 54 HB1 ALA 54 -4.220 -1.384 -6.253 420 HB2 ALA 54 HB2 ALA 54 -2.560 -1.459 -5.663 421 HB3 ALA 54 HB3 ALA 54 -2.879 -1.084 -7.356 422 H PHE 55 H PHE 55 -5.678 0.737 -5.178 423 HA PHE 55 HA PHE 55 -6.894 1.454 -7.684 424 HB2 PHE 55 HB2 PHE 55 -7.855 1.099 -4.869 425 HB3 PHE 55 HB3 PHE 55 -8.884 1.928 -6.038 426 HD1 PHE 55 HD1 PHE 55 -6.537 -1.000 -6.270 427 HD2 PHE 55 HD2 PHE 55 -10.518 0.496 -6.871 428 HE1 PHE 55 HE1 PHE 55 -7.210 -3.182 -7.234 429 HE2 PHE 55 HE2 PHE 55 -11.192 -1.686 -7.838 430 HZ PHE 55 HZ PHE 55 -9.538 -3.526 -8.018 431 H GLY 56 H GLY 56 -4.972 3.193 -5.712 432 HA2 GLY 56 HA2 GLY 56 -4.498 5.493 -6.052 433 HA3 GLY 56 HA3 GLY 56 -6.148 5.725 -6.620 434 H GLY 57 H GLY 57 -6.172 3.797 -3.894 435 HA2 GLY 57 HA2 GLY 57 -7.470 5.754 -2.287 436 HA3 GLY 57 HA3 GLY 57 -6.968 4.150 -1.760 437 H THR 58 H THR 58 -5.401 7.212 -2.742 438 HA THR 58 HA THR 58 -3.075 6.810 -1.181 439 HB THR 58 HB THR 58 -2.584 9.145 -1.640 440 HG1 THR 58 HG1 THR 58 -4.156 10.502 -1.802 441 HG21 THR 58 HG21 THR 58 -3.693 8.873 -4.216 442 HG22 THR 58 HG22 THR 58 -3.401 7.231 -3.643 443 HG23 THR 58 HG23 THR 58 -2.077 8.394 -3.696 444 H ASP 59 H ASP 59 -6.233 8.070 -0.454 445 HA ASP 59 HA ASP 59 -7.051 9.196 1.420 446 HB2 ASP 59 HB2 ASP 59 -5.624 6.768 2.522 447 HB3 ASP 59 HB3 ASP 59 -6.775 7.739 3.438 448 H ARG 60 H ARG 60 -4.288 7.896 3.153 449 HA ARG 60 HA ARG 60 -2.759 10.309 3.175 450 HB2 ARG 60 HB2 ARG 60 -4.681 11.028 4.573 451 HB3 ARG 60 HB3 ARG 60 -4.340 9.701 5.684 452 HG2 ARG 60 HG2 ARG 60 -2.045 10.623 6.021 453 HG3 ARG 60 HG3 ARG 60 -2.479 11.995 5.000 454 HD2 ARG 60 HD2 ARG 60 -3.885 11.202 7.566 455 HD3 ARG 60 HD3 ARG 60 -2.747 12.536 7.398 456 HE ARG 60 HE ARG 60 -5.510 12.529 6.585 457 HH11 ARG 60 HH11 ARG 60 -2.346 13.790 5.978 458 HH12 ARG 60 HH12 ARG 60 -2.919 15.254 5.250 459 HH21 ARG 60 HH21 ARG 60 -6.270 14.445 5.630 460 HH22 ARG 60 HH22 ARG 60 -5.141 15.625 5.053 461 H PHE 61 H PHE 61 -3.626 7.358 4.945 462 HA PHE 61 HA PHE 61 -2.338 5.753 5.958 463 HB2 PHE 61 HB2 PHE 61 -0.705 6.698 3.656 464 HB3 PHE 61 HB3 PHE 61 0.098 5.686 4.856 465 HD1 PHE 61 HD1 PHE 61 -3.113 5.850 2.916 466 HD2 PHE 61 HD2 PHE 61 -0.063 3.367 4.644 467 HE1 PHE 61 HE1 PHE 61 -4.200 3.842 1.950 468 HE2 PHE 61 HE2 PHE 61 -1.151 1.359 3.678 469 HZ PHE 61 HZ PHE 61 -3.220 1.596 2.331 470 HA PRO 62 HA PRO 62 -0.164 7.361 9.420 471 HB2 PRO 62 HB2 PRO 62 2.118 5.571 8.703 472 HB3 PRO 62 HB3 PRO 62 1.270 5.754 10.249 473 HG2 PRO 62 HG2 PRO 62 0.862 3.675 8.577 474 HG3 PRO 62 HG3 PRO 62 -0.376 4.304 9.673 475 HD2 PRO 62 HD2 PRO 62 -0.254 4.464 6.740 476 HD3 PRO 62 HD3 PRO 62 -1.631 4.734 7.826 477 H GLY 63 H GLY 63 1.239 9.037 9.827 478 HA2 GLY 63 HA2 GLY 63 2.548 10.272 7.567 479 HA3 GLY 63 HA3 GLY 63 2.473 10.904 9.209 480 H ARG 64 H ARG 64 3.446 7.773 9.475 481 HA ARG 64 HA ARG 64 6.119 8.473 10.188 482 HB2 ARG 64 HB2 ARG 64 4.732 6.579 11.171 483 HB3 ARG 64 HB3 ARG 64 5.056 5.687 9.686 484 HG2 ARG 64 HG2 ARG 64 6.796 4.947 11.050 485 HG3 ARG 64 HG3 ARG 64 7.564 6.292 10.208 486 HD2 ARG 64 HD2 ARG 64 7.034 7.781 12.114 487 HD3 ARG 64 HD3 ARG 64 6.275 6.433 12.950 488 HE ARG 64 HE ARG 64 9.030 5.965 12.172 489 HH11 ARG 64 HH11 ARG 64 6.822 7.169 14.549 490 HH12 ARG 64 HH12 ARG 64 7.925 6.979 15.871 491 HH21 ARG 64 HH21 ARG 64 10.482 5.713 13.901 492 HH22 ARG 64 HH22 ARG 64 9.998 6.154 15.504 493 H SER 65 H SER 65 8.042 8.079 9.121 494 HA SER 65 HA SER 65 8.133 8.309 6.357 495 HB2 SER 65 HB2 SER 65 10.503 7.544 6.565 496 HB3 SER 65 HB3 SER 65 10.072 8.804 7.718 497 HG SER 65 HG SER 65 10.501 7.446 9.251 498 H MET 66 H MET 66 7.308 6.946 4.907 499 HA MET 66 HA MET 66 6.739 4.224 5.355 500 HB2 MET 66 HB2 MET 66 7.093 5.776 2.782 501 HB3 MET 66 HB3 MET 66 6.486 4.121 2.860 502 HG2 MET 66 HG2 MET 66 5.243 6.445 4.355 503 HG3 MET 66 HG3 MET 66 4.672 5.866 2.790 504 HE1 MET 66 HE1 MET 66 3.324 6.269 5.561 505 HE2 MET 66 HE2 MET 66 4.382 5.385 6.659 506 HE3 MET 66 HE3 MET 66 2.746 4.803 6.364 507 H ARG 67 H ARG 67 9.541 5.846 3.950 508 HA ARG 67 HA ARG 67 10.852 3.601 2.891 509 HB2 ARG 67 HB2 ARG 67 12.006 6.137 4.076 510 HB3 ARG 67 HB3 ARG 67 12.918 4.967 3.124 511 HG2 ARG 67 HG2 ARG 67 11.316 5.301 1.242 512 HG3 ARG 67 HG3 ARG 67 10.507 6.550 2.190 513 HD2 ARG 67 HD2 ARG 67 12.732 7.738 2.352 514 HD3 ARG 67 HD3 ARG 67 13.365 6.573 1.194 515 HE ARG 67 HE ARG 67 12.068 7.587 -0.486 516 HH11 ARG 67 HH11 ARG 67 11.414 8.864 2.664 517 HH12 ARG 67 HH12 ARG 67 10.534 10.235 2.077 518 HH21 ARG 67 HH21 ARG 67 10.913 9.380 -1.262 519 HH22 ARG 67 HH22 ARG 67 10.249 10.527 -0.146 520 H ALA 68 H ALA 68 10.815 4.952 6.157 521 HA ALA 68 HA ALA 68 12.880 3.410 7.272 522 HB1 ALA 68 HB1 ALA 68 11.944 5.306 8.463 523 HB2 ALA 68 HB2 ALA 68 11.742 3.854 9.444 524 HB3 ALA 68 HB3 ALA 68 10.371 4.515 8.552 525 H ALA 69 H ALA 69 9.474 2.689 6.717 526 HA ALA 69 HA ALA 69 9.318 0.326 8.255 527 HB1 ALA 69 HB1 ALA 69 7.688 0.172 5.879 528 HB2 ALA 69 HB2 ALA 69 7.607 1.793 6.571 529 HB3 ALA 69 HB3 ALA 69 7.190 0.391 7.556 530 H HIS 70 H HIS 70 10.368 0.941 4.942 531 HA HIS 70 HA HIS 70 10.901 -1.925 4.559 532 HB2 HIS 70 HB2 HIS 70 10.977 0.391 2.611 533 HB3 HIS 70 HB3 HIS 70 11.302 -1.292 2.196 534 HD1 HIS 70 HD1 HIS 70 8.527 1.058 3.092 535 HD2 HIS 70 HD2 HIS 70 8.994 -2.992 2.220 536 HE1 HIS 70 HE1 HIS 70 6.199 0.131 2.726 537 H GLN 71 H GLN 71 12.479 0.928 5.488 538 HA GLN 71 HA GLN 71 15.019 0.649 4.330 539 HB2 GLN 71 HB2 GLN 71 14.256 2.639 5.618 540 HB3 GLN 71 HB3 GLN 71 14.391 1.692 7.100 541 HG2 GLN 71 HG2 GLN 71 16.795 1.290 6.580 542 HG3 GLN 71 HG3 GLN 71 16.638 2.334 5.168 543 HE21 GLN 71 HE21 GLN 71 17.210 2.311 8.573 544 HE22 GLN 71 HE22 GLN 71 17.153 3.991 8.811 545 H ASP 72 H ASP 72 13.623 -0.820 7.230 546 HA ASP 72 HA ASP 72 15.940 -1.978 8.288 547 HB2 ASP 72 HB2 ASP 72 13.072 -2.933 8.349 548 HB3 ASP 72 HB3 ASP 72 14.368 -3.644 9.309 549 H LEU 73 H LEU 73 13.723 -3.139 5.784 550 HA LEU 73 HA LEU 73 14.819 -5.727 5.503 551 HB2 LEU 73 HB2 LEU 73 13.470 -4.015 3.401 552 HB3 LEU 73 HB3 LEU 73 13.679 -5.765 3.341 553 HG LEU 73 HG LEU 73 12.096 -4.236 5.428 554 HD11 LEU 73 HD11 LEU 73 11.309 -4.788 2.896 555 HD12 LEU 73 HD12 LEU 73 10.199 -4.777 4.265 556 HD13 LEU 73 HD13 LEU 73 10.867 -6.302 3.683 557 HD21 LEU 73 HD21 LEU 73 12.983 -7.086 5.165 558 HD22 LEU 73 HD22 LEU 73 11.382 -6.769 5.833 559 HD23 LEU 73 HD23 LEU 73 12.812 -6.097 6.616 560 H VAL 74 H VAL 74 15.635 -2.627 4.010 561 HA VAL 74 HA VAL 74 17.478 -3.631 2.109 562 HB VAL 74 HB VAL 74 17.267 -0.922 3.436 563 HG11 VAL 74 HG11 VAL 74 18.551 -0.533 1.052 564 HG12 VAL 74 HG12 VAL 74 19.240 -2.074 1.561 565 HG13 VAL 74 HG13 VAL 74 19.372 -0.660 2.607 566 HG21 VAL 74 HG21 VAL 74 15.335 -1.289 2.113 567 HG22 VAL 74 HG22 VAL 74 16.247 -2.152 0.873 568 HG23 VAL 74 HG23 VAL 74 16.425 -0.406 1.043 569 H GLU 75 H GLU 75 17.862 -2.499 5.444 570 HA GLU 75 HA GLU 75 20.680 -2.595 5.533 571 HB2 GLU 75 HB2 GLU 75 18.625 -2.920 7.729 572 HB3 GLU 75 HB3 GLU 75 20.357 -2.724 8.007 573 HG2 GLU 75 HG2 GLU 75 20.293 -0.567 6.782 574 HG3 GLU 75 HG3 GLU 75 18.552 -0.754 6.571 575 H ASN 76 H ASN 76 18.212 -5.061 6.048 576 HA ASN 76 HA ASN 76 20.238 -7.027 6.816 577 HB2 ASN 76 HB2 ASN 76 17.229 -7.233 6.569 578 HB3 ASN 76 HB3 ASN 76 18.285 -8.533 7.118 579 HD21 ASN 76 HD21 ASN 76 16.253 -7.408 8.818 580 HD22 ASN 76 HD22 ASN 76 17.027 -6.606 10.099 581 H ALA 77 H ALA 77 17.566 -6.942 4.440 582 HA ALA 77 HA ALA 77 19.193 -8.688 2.697 583 HB1 ALA 77 HB1 ALA 77 16.229 -8.269 2.408 584 HB2 ALA 77 HB2 ALA 77 16.872 -9.426 3.574 585 HB3 ALA 77 HB3 ALA 77 17.213 -9.623 1.855 586 H GLY 78 H GLY 78 19.320 -8.244 0.475 587 HA2 GLY 78 HA2 GLY 78 19.153 -5.410 -0.175 588 HA3 GLY 78 HA3 GLY 78 19.885 -6.670 -1.165 589 H LEU 79 H LEU 79 17.268 -4.621 -0.870 590 HA LEU 79 HA LEU 79 15.445 -6.343 -2.404 591 HB2 LEU 79 HB2 LEU 79 14.587 -5.096 -0.406 592 HB3 LEU 79 HB3 LEU 79 14.949 -3.591 -1.249 593 HG LEU 79 HG LEU 79 13.488 -4.441 -3.154 594 HD11 LEU 79 HD11 LEU 79 13.432 -6.747 -1.422 595 HD12 LEU 79 HD12 LEU 79 12.754 -6.566 -3.038 596 HD13 LEU 79 HD13 LEU 79 11.798 -6.122 -1.625 597 HD21 LEU 79 HD21 LEU 79 12.217 -4.013 -0.432 598 HD22 LEU 79 HD22 LEU 79 11.393 -3.829 -1.980 599 HD23 LEU 79 HD23 LEU 79 12.715 -2.743 -1.550 600 H THR 80 H THR 80 15.109 -6.061 -4.527 601 HA THR 80 HA THR 80 16.138 -3.586 -5.773 602 HB THR 80 HB THR 80 16.941 -4.842 -7.649 603 HG1 THR 80 HG1 THR 80 16.090 -7.219 -6.401 604 HG21 THR 80 HG21 THR 80 18.159 -4.888 -5.304 605 HG22 THR 80 HG22 THR 80 18.765 -5.863 -6.643 606 HG23 THR 80 HG23 THR 80 17.783 -6.610 -5.382 607 H ASP 81 H ASP 81 15.165 -3.167 -7.938 608 HA ASP 81 HA ASP 81 12.397 -2.913 -7.780 609 HB2 ASP 81 HB2 ASP 81 14.262 -2.841 -10.149 610 HB3 ASP 81 HB3 ASP 81 12.545 -2.465 -10.269 611 H VAL 82 H VAL 82 14.332 -5.505 -9.202 612 HA VAL 82 HA VAL 82 12.510 -6.789 -10.801 613 HB VAL 82 HB VAL 82 14.935 -7.461 -10.161 614 HG11 VAL 82 HG11 VAL 82 15.202 -9.052 -8.425 615 HG12 VAL 82 HG12 VAL 82 13.462 -9.304 -8.277 616 HG13 VAL 82 HG13 VAL 82 14.186 -7.799 -7.715 617 HG21 VAL 82 HG21 VAL 82 12.687 -9.435 -10.642 618 HG22 VAL 82 HG22 VAL 82 14.392 -9.869 -10.753 619 HG23 VAL 82 HG23 VAL 82 13.715 -8.666 -11.851 620 H HIS 83 H HIS 83 12.713 -6.926 -7.260 621 HA HIS 83 HA HIS 83 10.727 -8.880 -6.851 622 HB2 HIS 83 HB2 HIS 83 11.604 -6.566 -5.111 623 HB3 HIS 83 HB3 HIS 83 10.521 -7.851 -4.576 624 HD2 HIS 83 HD2 HIS 83 11.769 -10.440 -4.353 625 HE1 HIS 83 HE1 HIS 83 15.712 -8.983 -4.745 626 HE2 HIS 83 HE2 HIS 83 14.308 -11.010 -4.139 627 H PHE 84 H PHE 84 10.531 -5.343 -7.066 628 HA PHE 84 HA PHE 84 7.777 -5.090 -6.538 629 HB2 PHE 84 HB2 PHE 84 9.398 -3.201 -6.562 630 HB3 PHE 84 HB3 PHE 84 9.484 -3.335 -8.318 631 HD1 PHE 84 HD1 PHE 84 7.277 -2.533 -5.454 632 HD2 PHE 84 HD2 PHE 84 7.682 -2.579 -9.730 633 HE1 PHE 84 HE1 PHE 84 5.230 -1.150 -5.663 634 HE2 PHE 84 HE2 PHE 84 5.635 -1.196 -9.939 635 HZ PHE 84 HZ PHE 84 4.408 -0.482 -7.905 636 H ASP 85 H ASP 85 9.558 -5.499 -9.579 637 HA ASP 85 HA ASP 85 7.384 -5.276 -11.341 638 HB2 ASP 85 HB2 ASP 85 9.797 -5.290 -11.997 639 HB3 ASP 85 HB3 ASP 85 9.825 -7.026 -11.693 640 H ALA 86 H ALA 86 8.631 -8.028 -9.513 641 HA ALA 86 HA ALA 86 7.049 -10.017 -10.777 642 HB1 ALA 86 HB1 ALA 86 8.943 -10.734 -9.519 643 HB2 ALA 86 HB2 ALA 86 7.523 -11.314 -8.647 644 HB3 ALA 86 HB3 ALA 86 8.389 -9.889 -8.074 645 H ILE 87 H ILE 87 6.642 -8.525 -7.542 646 HA ILE 87 HA ILE 87 4.062 -9.588 -7.114 647 HB ILE 87 HB ILE 87 5.633 -8.589 -5.376 648 HG12 ILE 87 HG12 ILE 87 2.823 -7.461 -5.305 649 HG13 ILE 87 HG13 ILE 87 3.164 -9.175 -5.059 650 HG21 ILE 87 HG21 ILE 87 5.963 -6.462 -6.720 651 HG22 ILE 87 HG22 ILE 87 5.576 -6.214 -5.018 652 HG23 ILE 87 HG23 ILE 87 4.329 -5.998 -6.247 653 HD11 ILE 87 HD11 ILE 87 4.343 -6.908 -3.425 654 HD12 ILE 87 HD12 ILE 87 4.637 -8.628 -3.169 655 HD13 ILE 87 HD13 ILE 87 3.027 -7.960 -2.905 656 H ALA 88 H ALA 88 5.190 -6.721 -8.772 657 HA ALA 88 HA ALA 88 2.714 -5.337 -8.891 658 HB1 ALA 88 HB1 ALA 88 5.132 -5.262 -10.710 659 HB2 ALA 88 HB2 ALA 88 4.779 -4.170 -9.371 660 HB3 ALA 88 HB3 ALA 88 3.774 -4.142 -10.821 661 H GLU 89 H GLU 89 4.296 -7.646 -11.069 662 HA GLU 89 HA GLU 89 2.361 -7.568 -13.126 663 HB2 GLU 89 HB2 GLU 89 4.635 -8.555 -13.362 664 HB3 GLU 89 HB3 GLU 89 4.129 -9.890 -12.326 665 HG2 GLU 89 HG2 GLU 89 2.291 -10.396 -13.930 666 HG3 GLU 89 HG3 GLU 89 2.900 -9.124 -14.988 667 H ASN 90 H ASN 90 2.602 -9.407 -10.136 668 HA ASN 90 HA ASN 90 0.628 -11.332 -10.587 669 HB2 ASN 90 HB2 ASN 90 1.414 -9.929 -8.025 670 HB3 ASN 90 HB3 ASN 90 0.401 -11.368 -8.103 671 HD21 ASN 90 HD21 ASN 90 2.937 -11.385 -6.757 672 HD22 ASN 90 HD22 ASN 90 3.986 -12.401 -7.622 673 H LEU 91 H LEU 91 0.352 -7.983 -9.485 674 HA LEU 91 HA LEU 91 -2.395 -8.047 -8.824 675 HB2 LEU 91 HB2 LEU 91 -0.822 -6.240 -8.148 676 HB3 LEU 91 HB3 LEU 91 -0.777 -5.694 -9.824 677 HG LEU 91 HG LEU 91 -3.271 -5.417 -9.743 678 HD11 LEU 91 HD11 LEU 91 -2.798 -6.596 -7.083 679 HD12 LEU 91 HD12 LEU 91 -4.269 -6.564 -8.055 680 HD13 LEU 91 HD13 LEU 91 -3.837 -5.171 -7.065 681 HD21 LEU 91 HD21 LEU 91 -3.031 -3.513 -7.854 682 HD22 LEU 91 HD22 LEU 91 -2.300 -3.351 -9.451 683 HD23 LEU 91 HD23 LEU 91 -1.323 -3.888 -8.085 684 H VAL 92 H VAL 92 -0.690 -7.346 -11.849 685 HA VAL 92 HA VAL 92 -2.904 -6.458 -13.343 686 HB VAL 92 HB VAL 92 -0.375 -7.872 -14.210 687 HG11 VAL 92 HG11 VAL 92 -1.144 -6.550 -16.406 688 HG12 VAL 92 HG12 VAL 92 -2.741 -6.856 -15.722 689 HG13 VAL 92 HG13 VAL 92 -1.667 -8.205 -16.092 690 HG21 VAL 92 HG21 VAL 92 0.414 -5.656 -14.728 691 HG22 VAL 92 HG22 VAL 92 -0.225 -5.601 -13.085 692 HG23 VAL 92 HG23 VAL 92 -1.176 -4.957 -14.424 693 H LEU 93 H LEU 93 -1.539 -9.714 -12.924 694 HA LEU 93 HA LEU 93 -3.308 -11.042 -14.682 695 HB2 LEU 93 HB2 LEU 93 -1.931 -12.153 -12.223 696 HB3 LEU 93 HB3 LEU 93 -2.577 -13.086 -13.575 697 HG LEU 93 HG LEU 93 -0.324 -11.060 -13.719 698 HD11 LEU 93 HD11 LEU 93 -0.480 -14.050 -13.612 699 HD12 LEU 93 HD12 LEU 93 0.686 -12.964 -12.858 700 HD13 LEU 93 HD13 LEU 93 0.789 -13.307 -14.585 701 HD21 LEU 93 HD21 LEU 93 -1.930 -12.523 -15.787 702 HD22 LEU 93 HD22 LEU 93 -0.215 -12.245 -16.090 703 HD23 LEU 93 HD23 LEU 93 -1.295 -10.878 -15.824 704 H THR 94 H THR 94 -3.538 -10.203 -11.266 705 HA THR 94 HA THR 94 -5.761 -11.768 -10.580 706 HB THR 94 HB THR 94 -5.050 -9.027 -9.515 707 HG1 THR 94 HG1 THR 94 -3.565 -11.091 -9.536 708 HG21 THR 94 HG21 THR 94 -7.121 -9.487 -8.582 709 HG22 THR 94 HG22 THR 94 -6.064 -10.288 -7.418 710 HG23 THR 94 HG23 THR 94 -6.884 -11.233 -8.661 711 H LEU 95 H LEU 95 -5.592 -8.505 -11.981 712 HA LEU 95 HA LEU 95 -8.346 -7.927 -11.863 713 HB2 LEU 95 HB2 LEU 95 -6.330 -6.997 -13.923 714 HB3 LEU 95 HB3 LEU 95 -7.887 -6.244 -13.582 715 HG LEU 95 HG LEU 95 -5.569 -6.516 -11.646 716 HD11 LEU 95 HD11 LEU 95 -6.837 -4.098 -12.966 717 HD12 LEU 95 HD12 LEU 95 -5.258 -4.775 -13.363 718 HD13 LEU 95 HD13 LEU 95 -5.533 -4.051 -11.779 719 HD21 LEU 95 HD21 LEU 95 -8.435 -5.690 -11.328 720 HD22 LEU 95 HD22 LEU 95 -7.204 -4.863 -10.373 721 HD23 LEU 95 HD23 LEU 95 -7.410 -6.608 -10.225 722 H GLN 96 H GLN 96 -6.419 -9.692 -14.233 723 HA GLN 96 HA GLN 96 -8.349 -9.883 -16.273 724 HB2 GLN 96 HB2 GLN 96 -6.181 -11.848 -15.490 725 HB3 GLN 96 HB3 GLN 96 -7.070 -11.868 -17.014 726 HG2 GLN 96 HG2 GLN 96 -5.434 -9.513 -16.030 727 HG3 GLN 96 HG3 GLN 96 -4.847 -10.717 -17.176 728 HE21 GLN 96 HE21 GLN 96 -5.499 -10.511 -19.367 729 HE22 GLN 96 HE22 GLN 96 -6.547 -9.296 -19.919 730 H GLU 97 H GLU 97 -7.793 -11.806 -13.369 731 HA GLU 97 HA GLU 97 -9.643 -13.875 -13.947 732 HB2 GLU 97 HB2 GLU 97 -8.623 -12.816 -11.300 733 HB3 GLU 97 HB3 GLU 97 -9.554 -14.302 -11.493 734 HG2 GLU 97 HG2 GLU 97 -7.813 -15.169 -13.036 735 HG3 GLU 97 HG3 GLU 97 -6.869 -13.706 -12.767 736 H LEU 98 H LEU 98 -9.960 -10.676 -12.560 737 HA LEU 98 HA LEU 98 -12.688 -11.098 -11.679 738 HB2 LEU 98 HB2 LEU 98 -11.128 -8.516 -11.938 739 HB3 LEU 98 HB3 LEU 98 -12.621 -8.756 -11.032 740 HG LEU 98 HG LEU 98 -9.951 -10.079 -10.470 741 HD11 LEU 98 HD11 LEU 98 -11.233 -7.632 -9.567 742 HD12 LEU 98 HD12 LEU 98 -9.599 -8.215 -9.249 743 HD13 LEU 98 HD13 LEU 98 -10.935 -8.727 -8.217 744 HD21 LEU 98 HD21 LEU 98 -11.378 -10.732 -8.339 745 HD22 LEU 98 HD22 LEU 98 -11.472 -11.713 -9.802 746 HD23 LEU 98 HD23 LEU 98 -12.737 -10.536 -9.447 747 H ASN 99 H ASN 99 -11.350 -10.780 -14.656 748 HA ASN 99 HA ASN 99 -12.189 -10.254 -16.729 749 HB2 ASN 99 HB2 ASN 99 -14.173 -11.523 -15.673 750 HB3 ASN 99 HB3 ASN 99 -14.897 -9.930 -15.455 751 HD21 ASN 99 HD21 ASN 99 -16.565 -10.733 -17.068 752 HD22 ASN 99 HD22 ASN 99 -16.198 -10.639 -18.723 753 H VAL 100 H VAL 100 -10.973 -8.178 -15.534 754 HA VAL 100 HA VAL 100 -12.775 -5.862 -15.752 755 HB VAL 100 HB VAL 100 -9.921 -6.011 -14.751 756 HG11 VAL 100 HG11 VAL 100 -9.984 -3.763 -14.789 757 HG12 VAL 100 HG12 VAL 100 -11.427 -3.783 -13.775 758 HG13 VAL 100 HG13 VAL 100 -11.583 -3.821 -15.531 759 HG21 VAL 100 HG21 VAL 100 -10.736 -6.368 -12.639 760 HG22 VAL 100 HG22 VAL 100 -12.086 -7.089 -13.513 761 HG23 VAL 100 HG23 VAL 100 -12.197 -5.427 -12.936 762 H SER 101 H SER 101 -12.533 -4.320 -17.304 763 HA SER 101 HA SER 101 -11.414 -4.948 -19.768 764 HB2 SER 101 HB2 SER 101 -13.109 -3.175 -19.405 765 HB3 SER 101 HB3 SER 101 -11.876 -2.177 -18.640 766 HG SER 101 HG SER 101 -12.420 -2.434 -21.218 767 H GLN 102 H GLN 102 -9.494 -4.564 -20.766 768 HA GLN 102 HA GLN 102 -7.139 -4.458 -19.250 769 HB2 GLN 102 HB2 GLN 102 -7.356 -5.353 -21.582 770 HB3 GLN 102 HB3 GLN 102 -7.430 -3.688 -22.160 771 HG2 GLN 102 HG2 GLN 102 -5.141 -4.347 -22.351 772 HG3 GLN 102 HG3 GLN 102 -5.229 -3.297 -20.939 773 HE21 GLN 102 HE21 GLN 102 -4.153 -4.133 -19.153 774 HE22 GLN 102 HE22 GLN 102 -3.926 -5.785 -18.837 775 H ASP 103 H ASP 103 -8.975 -1.895 -20.846 776 HA ASP 103 HA ASP 103 -7.111 0.171 -20.736 777 HB2 ASP 103 HB2 ASP 103 -10.117 0.245 -20.421 778 HB3 ASP 103 HB3 ASP 103 -9.115 1.682 -20.614 779 H LEU 104 H LEU 104 -9.368 -0.962 -18.237 780 HA LEU 104 HA LEU 104 -8.716 1.052 -16.334 781 HB2 LEU 104 HB2 LEU 104 -9.823 -1.734 -15.892 782 HB3 LEU 104 HB3 LEU 104 -9.828 -0.424 -14.710 783 HG LEU 104 HG LEU 104 -11.213 -0.375 -17.409 784 HD11 LEU 104 HD11 LEU 104 -13.101 0.001 -15.434 785 HD12 LEU 104 HD12 LEU 104 -12.023 -1.188 -14.701 786 HD13 LEU 104 HD13 LEU 104 -12.789 -1.528 -16.254 787 HD21 LEU 104 HD21 LEU 104 -12.251 1.709 -16.092 788 HD22 LEU 104 HD22 LEU 104 -10.781 1.870 -17.055 789 HD23 LEU 104 HD23 LEU 104 -10.673 1.678 -15.304 790 H ILE 105 H ILE 105 -7.433 -2.157 -17.035 791 HA ILE 105 HA ILE 105 -5.791 -2.445 -14.765 792 HB ILE 105 HB ILE 105 -5.371 -3.514 -17.567 793 HG12 ILE 105 HG12 ILE 105 -6.693 -4.779 -15.144 794 HG13 ILE 105 HG13 ILE 105 -7.569 -4.091 -16.513 795 HG21 ILE 105 HG21 ILE 105 -4.406 -5.263 -15.558 796 HG22 ILE 105 HG22 ILE 105 -3.787 -3.660 -15.162 797 HG23 ILE 105 HG23 ILE 105 -3.457 -4.366 -16.744 798 HD11 ILE 105 HD11 ILE 105 -5.597 -5.831 -17.586 799 HD12 ILE 105 HD12 ILE 105 -7.348 -6.042 -17.605 800 HD13 ILE 105 HD13 ILE 105 -6.395 -6.702 -16.276 801 H ASP 106 H ASP 106 -5.200 -0.948 -17.923 802 HA ASP 106 HA ASP 106 -2.455 -0.450 -17.630 803 HB2 ASP 106 HB2 ASP 106 -4.582 1.084 -19.135 804 HB3 ASP 106 HB3 ASP 106 -2.853 1.390 -19.286 805 H GLU 107 H GLU 107 -5.277 1.424 -16.605 806 HA GLU 107 HA GLU 107 -3.864 3.718 -15.728 807 HB2 GLU 107 HB2 GLU 107 -6.532 2.583 -14.853 808 HB3 GLU 107 HB3 GLU 107 -5.928 4.178 -14.402 809 HG2 GLU 107 HG2 GLU 107 -6.344 3.223 -17.249 810 HG3 GLU 107 HG3 GLU 107 -7.446 4.278 -16.368 811 H VAL 108 H VAL 108 -4.678 0.662 -14.190 812 HA VAL 108 HA VAL 108 -4.040 1.354 -11.531 813 HB VAL 108 HB VAL 108 -3.939 -1.302 -12.974 814 HG11 VAL 108 HG11 VAL 108 -3.390 -0.518 -10.129 815 HG12 VAL 108 HG12 VAL 108 -2.581 -1.726 -11.129 816 HG13 VAL 108 HG13 VAL 108 -4.178 -2.062 -10.458 817 HG21 VAL 108 HG21 VAL 108 -6.134 0.062 -12.606 818 HG22 VAL 108 HG22 VAL 108 -5.940 -0.390 -10.912 819 HG23 VAL 108 HG23 VAL 108 -6.116 -1.640 -12.144 820 H VAL 109 H VAL 109 -2.064 0.133 -14.200 821 HA VAL 109 HA VAL 109 0.296 -0.373 -12.765 822 HB VAL 109 HB VAL 109 -0.146 0.462 -15.637 823 HG11 VAL 109 HG11 VAL 109 2.337 -0.066 -14.069 824 HG12 VAL 109 HG12 VAL 109 2.088 0.995 -15.455 825 HG13 VAL 109 HG13 VAL 109 2.248 -0.744 -15.694 826 HG21 VAL 109 HG21 VAL 109 -0.086 -1.834 -16.124 827 HG22 VAL 109 HG22 VAL 109 -0.978 -1.796 -14.603 828 HG23 VAL 109 HG23 VAL 109 0.731 -2.231 -14.614 829 H THR 110 H THR 110 -0.870 2.590 -14.339 830 HA THR 110 HA THR 110 1.434 4.153 -13.913 831 HB THR 110 HB THR 110 -1.441 5.087 -14.038 832 HG1 THR 110 HG1 THR 110 -1.328 4.551 -16.046 833 HG21 THR 110 HG21 THR 110 -0.324 7.141 -14.992 834 HG22 THR 110 HG22 THR 110 1.221 6.451 -14.496 835 HG23 THR 110 HG23 THR 110 0.006 6.857 -13.283 836 H ILE 111 H ILE 111 -1.471 3.681 -11.918 837 HA ILE 111 HA ILE 111 -0.848 5.567 -9.925 838 HB ILE 111 HB ILE 111 -2.403 2.981 -9.689 839 HG12 ILE 111 HG12 ILE 111 -3.344 5.831 -10.147 840 HG13 ILE 111 HG13 ILE 111 -3.209 4.615 -11.417 841 HG21 ILE 111 HG21 ILE 111 -3.492 4.269 -7.781 842 HG22 ILE 111 HG22 ILE 111 -2.160 5.417 -7.907 843 HG23 ILE 111 HG23 ILE 111 -1.838 3.735 -7.482 844 HD11 ILE 111 HD11 ILE 111 -5.300 4.968 -9.417 845 HD12 ILE 111 HD12 ILE 111 -4.644 3.330 -9.395 846 HD13 ILE 111 HD13 ILE 111 -5.312 3.992 -10.887 847 H VAL 112 H VAL 112 -0.221 2.053 -10.018 848 HA VAL 112 HA VAL 112 1.336 2.150 -7.586 849 HB VAL 112 HB VAL 112 1.720 -0.221 -7.977 850 HG11 VAL 112 HG11 VAL 112 -1.046 0.870 -8.434 851 HG12 VAL 112 HG12 VAL 112 -0.386 0.086 -6.999 852 HG13 VAL 112 HG13 VAL 112 -0.773 -0.872 -8.429 853 HG21 VAL 112 HG21 VAL 112 0.813 0.530 -10.733 854 HG22 VAL 112 HG22 VAL 112 0.466 -1.095 -10.145 855 HG23 VAL 112 HG23 VAL 112 2.133 -0.530 -10.244 856 H GLY 113 H GLY 113 1.926 2.467 -10.976 857 HA2 GLY 113 HA2 GLY 113 4.761 1.888 -10.807 858 HA3 GLY 113 HA3 GLY 113 3.893 2.472 -12.223 859 H SER 114 H SER 114 3.259 4.250 -9.380 860 HA SER 114 HA SER 114 4.216 6.673 -10.418 861 HB2 SER 114 HB2 SER 114 3.754 5.931 -7.519 862 HB3 SER 114 HB3 SER 114 3.882 7.569 -8.155 863 HG SER 114 HG SER 114 1.869 7.422 -8.711 864 H VAL 115 H VAL 115 6.088 7.827 -10.139 865 HA VAL 115 HA VAL 115 8.486 6.363 -9.704 866 HB VAL 115 HB VAL 115 7.961 9.330 -9.949 867 HG11 VAL 115 HG11 VAL 115 10.044 9.490 -9.036 868 HG12 VAL 115 HG12 VAL 115 10.578 8.955 -10.628 869 HG13 VAL 115 HG13 VAL 115 10.405 7.787 -9.318 870 HG21 VAL 115 HG21 VAL 115 9.135 7.314 -11.889 871 HG22 VAL 115 HG22 VAL 115 8.793 9.012 -12.220 872 HG23 VAL 115 HG23 VAL 115 7.466 7.885 -11.933 873 H GLN 116 H GLN 116 6.688 8.706 -7.739 874 HA GLN 116 HA GLN 116 8.556 9.022 -5.677 875 HB2 GLN 116 HB2 GLN 116 6.505 10.402 -5.989 876 HB3 GLN 116 HB3 GLN 116 5.543 9.041 -5.412 877 HG2 GLN 116 HG2 GLN 116 6.768 9.064 -3.279 878 HG3 GLN 116 HG3 GLN 116 7.756 10.407 -3.852 879 HE21 GLN 116 HE21 GLN 116 6.334 10.906 -1.550 880 HE22 GLN 116 HE22 GLN 116 5.003 11.909 -1.869 881 H HIS 117 H HIS 117 5.878 6.681 -5.974 882 HA HIS 117 HA HIS 117 6.378 5.412 -3.481 883 HB2 HIS 117 HB2 HIS 117 4.245 5.272 -4.852 884 HB3 HIS 117 HB3 HIS 117 5.092 4.125 -5.891 885 HD1 HIS 117 HD1 HIS 117 5.553 4.286 -2.149 886 HD2 HIS 117 HD2 HIS 117 3.736 1.823 -4.978 887 HE1 HIS 117 HE1 HIS 117 4.842 2.196 -0.918 888 H ARG 118 H ARG 118 7.354 4.657 -6.808 889 HA ARG 118 HA ARG 118 8.690 2.246 -6.296 890 HB2 ARG 118 HB2 ARG 118 8.143 3.119 -8.558 891 HB3 ARG 118 HB3 ARG 118 9.397 4.343 -8.362 892 HG2 ARG 118 HG2 ARG 118 11.075 2.533 -8.034 893 HG3 ARG 118 HG3 ARG 118 9.810 1.339 -8.331 894 HD2 ARG 118 HD2 ARG 118 9.405 2.395 -10.562 895 HD3 ARG 118 HD3 ARG 118 10.771 3.466 -10.264 896 HE ARG 118 HE ARG 118 12.226 1.643 -10.575 897 HH11 ARG 118 HH11 ARG 118 8.892 0.710 -10.571 898 HH12 ARG 118 HH12 ARG 118 9.190 -0.865 -11.228 899 HH21 ARG 118 HH21 ARG 118 12.622 -0.421 -11.436 900 HH22 ARG 118 HH22 ARG 118 11.301 -1.504 -11.718 901 H ASN 119 H ASN 119 9.845 5.600 -6.193 902 HA ASN 119 HA ASN 119 12.566 5.050 -5.721 903 HB2 ASN 119 HB2 ASN 119 10.878 7.413 -4.874 904 HB3 ASN 119 HB3 ASN 119 12.639 7.359 -4.799 905 HD21 ASN 119 HD21 ASN 119 11.316 9.281 -6.442 906 HD22 ASN 119 HD22 ASN 119 11.616 8.898 -8.067 907 H ASP 120 H ASP 120 9.806 5.327 -3.547 908 HA ASP 120 HA ASP 120 11.198 5.376 -1.105 909 HB2 ASP 120 HB2 ASP 120 8.460 4.299 -1.797 910 HB3 ASP 120 HB3 ASP 120 9.063 4.468 -0.150 911 H VAL 121 H VAL 121 10.149 2.685 -3.147 912 HA VAL 121 HA VAL 121 10.718 0.597 -1.338 913 HB VAL 121 HB VAL 121 10.745 0.652 -4.364 914 HG11 VAL 121 HG11 VAL 121 10.897 -1.639 -2.389 915 HG12 VAL 121 HG12 VAL 121 12.064 -1.235 -3.648 916 HG13 VAL 121 HG13 VAL 121 10.469 -1.848 -4.088 917 HG21 VAL 121 HG21 VAL 121 8.503 0.613 -4.153 918 HG22 VAL 121 HG22 VAL 121 8.665 0.721 -2.400 919 HG23 VAL 121 HG23 VAL 121 8.618 -0.857 -3.186 920 H LEU 122 H LEU 122 12.712 2.141 -3.844 921 HA LEU 122 HA LEU 122 15.000 0.510 -3.442 922 HB2 LEU 122 HB2 LEU 122 14.762 3.297 -4.598 923 HB3 LEU 122 HB3 LEU 122 16.193 2.272 -4.709 924 HG LEU 122 HG LEU 122 13.448 1.514 -5.752 925 HD11 LEU 122 HD11 LEU 122 14.825 1.698 -7.979 926 HD12 LEU 122 HD12 LEU 122 15.862 2.766 -7.034 927 HD13 LEU 122 HD13 LEU 122 14.157 3.161 -7.254 928 HD21 LEU 122 HD21 LEU 122 15.276 -0.078 -7.003 929 HD22 LEU 122 HD22 LEU 122 14.410 -0.549 -5.541 930 HD23 LEU 122 HD23 LEU 122 16.040 0.115 -5.428 931 H ASN 123 H ASN 123 13.820 3.418 -1.896 932 HA ASN 123 HA ASN 123 14.534 4.581 -0.053 933 HB2 ASN 123 HB2 ASN 123 16.135 2.063 0.462 934 HB3 ASN 123 HB3 ASN 123 15.855 3.353 1.627 935 HD21 ASN 123 HD21 ASN 123 14.840 0.346 1.178 936 HD22 ASN 123 HD22 ASN 123 13.194 0.484 1.568 937 H ARG 124 H ARG 124 15.822 5.251 -2.409 938 HA ARG 124 HA ARG 124 18.687 5.350 -1.838 939 HB2 ARG 124 HB2 ARG 124 17.073 6.395 -4.175 940 HB3 ARG 124 HB3 ARG 124 18.828 6.506 -4.038 941 HG2 ARG 124 HG2 ARG 124 18.143 3.813 -3.483 942 HG3 ARG 124 HG3 ARG 124 17.238 4.280 -4.921 943 HD2 ARG 124 HD2 ARG 124 19.393 3.445 -5.637 944 HD3 ARG 124 HD3 ARG 124 19.365 5.188 -5.893 945 HE ARG 124 HE ARG 124 20.461 4.375 -3.333 946 HH11 ARG 124 HH11 ARG 124 21.048 5.036 -6.679 947 HH12 ARG 124 HH12 ARG 124 22.728 5.399 -6.454 948 HH21 ARG 124 HH21 ARG 124 22.659 4.852 -3.030 949 HH22 ARG 124 HH22 ARG 124 23.639 5.295 -4.387 950 HHA HEB 125 HHA HEB 125 4.773 -2.612 6.749 951 HHB HEB 125 HHB HEB 125 2.232 1.222 2.394 952 HHC HEB 125 HHC HEB 125 5.255 -1.994 -2.160 953 HHD HEB 125 HHD HEB 125 7.709 -5.843 2.170 954 HMA1 HEB 125 HMA1 HEB 125 1.856 1.731 6.087 955 HMA2 HEB 125 HMA2 HEB 125 0.803 1.080 4.838 956 HMA3 HEB 125 HMA3 HEB 125 2.079 2.220 4.416 957 HAA1 HEB 125 HAA1 HEB 125 2.951 0.554 7.557 958 HAA2 HEB 125 HAA2 HEB 125 4.010 -0.817 7.763 959 HBA1 HEB 125 HBA1 HEB 125 2.038 -2.322 7.387 960 HBA2 HEB 125 HBA2 HEB 125 1.013 -0.889 7.375 961 HMB1 HEB 125 HMB1 HEB 125 1.066 1.458 -0.070 962 HMB2 HEB 125 HMB2 HEB 125 2.175 2.156 -1.251 963 HMB3 HEB 125 HMB3 HEB 125 2.359 2.531 0.463 964 HAB2 HEB 125 HAB2 HEB 125 4.056 -0.515 -3.105 965 HBB1 HEB 125 HBB1 HEB 125 1.779 1.222 -3.312 966 HBB2 HEB 125 HBB2 HEB 125 1.421 -0.118 -2.224 967 HBB3 HEB 125 HBB3 HEB 125 1.965 -0.440 -3.870 968 HMC1 HEB 125 HMC1 HEB 125 7.578 -3.297 -2.962 969 HMC2 HEB 125 HMC2 HEB 125 5.960 -3.966 -3.165 970 HMC3 HEB 125 HMC3 HEB 125 7.334 -5.043 -2.917 971 HAC HEB 125 HAC HEB 125 9.117 -5.812 -0.300 972 HBC1 HEB 125 HBC1 HEB 125 6.506 -7.244 -1.133 973 HBC2 HEB 125 HBC2 HEB 125 8.222 -7.957 -1.118 974 HMD1 HEB 125 HMD1 HEB 125 8.389 -6.309 5.823 975 HMD2 HEB 125 HMD2 HEB 125 8.606 -6.407 4.088 976 HMD3 HEB 125 HMD3 HEB 125 7.285 -7.282 4.856 977 HAD1 HEB 125 HAD1 HEB 125 6.466 -3.817 7.667 978 HAD2 HEB 125 HAD2 HEB 125 7.186 -5.389 7.391 979 HBD1 HEB 125 HBD1 HEB 125 5.014 -6.431 7.223 980 HBD2 HEB 125 HBD2 HEB 125 4.214 -4.861 7.278
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