NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
628933 | 5w8y | 30309 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -15.238 -2.312 11.805 2 H2 MET 1 HT2 MET 1 -14.394 -0.876 12.082 3 H3 MET 1 HT3 MET 1 -13.553 -2.287 11.696 4 HA MET 1 HA MET 1 -14.487 -2.341 9.529 5 HB2 MET 1 HB2 MET 1 -15.895 -0.450 8.711 6 HB3 MET 1 HB1 MET 1 -16.679 -1.352 9.996 7 HG2 MET 1 HG2 MET 1 -16.196 0.414 11.598 8 HG3 MET 1 HG1 MET 1 -15.244 1.287 10.395 9 HE1 MET 1 HE1 MET 1 -18.367 3.620 10.761 10 HE2 MET 1 HE2 MET 1 -16.607 3.539 10.765 11 HE3 MET 1 HE3 MET 1 -17.528 2.736 12.037 12 H ASN 2 HN ASN 2 -12.799 -1.886 8.275 13 HA ASN 2 HA ASN 2 -11.748 0.813 8.026 14 HB2 ASN 2 HB2 ASN 2 -9.365 0.117 8.254 15 HB3 ASN 2 HB1 ASN 2 -10.253 0.003 9.762 16 HD21 ASN 2 HD21 ASN 2 -9.146 -1.532 10.809 17 HD22 ASN 2 HD22 ASN 2 -8.845 -3.131 10.240 18 H ALA 3 HN ALA 3 -10.227 0.951 6.223 19 HA ALA 3 HA ALA 3 -11.277 0.167 3.833 20 HB1 ALA 3 HB1 ALA 3 -9.167 0.902 2.819 21 HB2 ALA 3 HB2 ALA 3 -8.363 0.832 4.391 22 HB3 ALA 3 HB3 ALA 3 -9.666 1.989 4.113 23 H ILE 4 HN ILE 4 -8.678 -1.443 5.622 24 HA ILE 4 HA ILE 4 -7.898 -3.278 3.609 25 HB ILE 4 HB ILE 4 -7.570 -3.785 6.588 26 HG12 ILE 4 HG12 ILE 4 -5.179 -2.713 6.156 27 HG13 ILE 4 HG11 ILE 4 -5.988 -1.882 4.839 28 HG21 ILE 4 HG21 ILE 4 -5.889 -4.733 4.247 29 HG22 ILE 4 HG22 ILE 4 -7.027 -5.708 5.175 30 HG23 ILE 4 HG23 ILE 4 -5.570 -5.087 5.952 31 HD11 ILE 4 HD11 ILE 4 -5.832 -0.468 6.790 32 HD12 ILE 4 HD12 ILE 4 -6.649 -1.671 7.784 33 HD13 ILE 4 HD13 ILE 4 -7.534 -0.848 6.495 34 H ASP 5 HN ASP 5 -10.245 -3.390 6.218 35 HA ASP 5 HA ASP 5 -10.977 -6.141 6.099 36 HB2 ASP 5 HB2 ASP 5 -11.351 -4.766 8.115 37 HB3 ASP 5 HB1 ASP 5 -12.466 -3.730 7.234 38 H ILE 6 HN ILE 6 -12.445 -3.169 4.859 39 HA ILE 6 HA ILE 6 -14.762 -4.348 3.719 40 HB ILE 6 HB ILE 6 -13.422 -1.668 3.177 41 HG12 ILE 6 HG12 ILE 6 -14.211 -1.945 5.507 42 HG13 ILE 6 HG11 ILE 6 -15.157 -0.725 4.670 43 HG21 ILE 6 HG21 ILE 6 -14.813 -2.225 1.233 44 HG22 ILE 6 HG22 ILE 6 -15.547 -0.914 2.150 45 HG23 ILE 6 HG23 ILE 6 -16.196 -2.549 2.283 46 HD11 ILE 6 HD11 ILE 6 -16.564 -2.092 6.087 47 HD12 ILE 6 HD12 ILE 6 -16.019 -3.555 5.269 48 HD13 ILE 6 HD13 ILE 6 -16.977 -2.360 4.394 49 H ALA 7 HN ALA 7 -11.515 -3.818 2.538 50 HA ALA 7 HA ALA 7 -12.009 -4.454 -0.209 51 HB1 ALA 7 HB1 ALA 7 -9.401 -4.589 1.330 52 HB2 ALA 7 HB2 ALA 7 -10.032 -3.167 0.494 53 HB3 ALA 7 HB3 ALA 7 -9.584 -4.608 -0.428 54 H ILE 8 HN ILE 8 -11.167 -6.375 2.676 55 HA ILE 8 HA ILE 8 -10.828 -8.918 1.458 56 HB ILE 8 HB ILE 8 -12.101 -8.359 4.184 57 HG12 ILE 8 HG12 ILE 8 -9.169 -8.997 3.623 58 HG13 ILE 8 HG11 ILE 8 -9.782 -7.373 3.891 59 HG21 ILE 8 HG21 ILE 8 -11.406 -10.669 4.781 60 HG22 ILE 8 HG22 ILE 8 -10.821 -10.919 3.134 61 HG23 ILE 8 HG23 ILE 8 -12.540 -10.656 3.432 62 HD11 ILE 8 HD11 ILE 8 -9.849 -9.635 5.876 63 HD12 ILE 8 HD12 ILE 8 -10.479 -8.008 6.147 64 HD13 ILE 8 HD13 ILE 8 -8.754 -8.254 5.884 65 H ASN 9 HN ASN 9 -13.705 -7.288 2.782 66 HA ASN 9 HA ASN 9 -15.644 -9.236 2.213 67 HB2 ASN 9 HB2 ASN 9 -15.937 -6.212 2.469 68 HB3 ASN 9 HB1 ASN 9 -17.313 -7.306 2.334 69 HD21 ASN 9 HD21 ASN 9 -14.994 -5.928 4.448 70 HD22 ASN 9 HD22 ASN 9 -15.463 -6.747 5.891 71 H LYS 10 HN LYS 10 -14.445 -6.504 0.276 72 HA LYS 10 HA LYS 10 -16.414 -6.652 -1.767 73 HB2 LYS 10 HB2 LYS 10 -14.739 -4.688 -1.114 74 HB3 LYS 10 HB1 LYS 10 -13.671 -5.424 -2.295 75 HG2 LYS 10 HG2 LYS 10 -16.457 -4.876 -3.244 76 HG3 LYS 10 HG1 LYS 10 -15.521 -3.450 -2.834 77 HD2 LYS 10 HD2 LYS 10 -15.158 -3.720 -5.139 78 HD3 LYS 10 HD1 LYS 10 -13.697 -4.383 -4.406 79 HE2 LYS 10 HE2 LYS 10 -14.502 -6.652 -4.777 80 HE3 LYS 10 HE1 LYS 10 -16.049 -6.056 -5.376 81 HZ1 LYS 10 HZ1 LYS 10 -14.595 -6.707 -7.168 82 HZ2 LYS 10 HZ2 LYS 10 -13.401 -5.637 -6.648 83 HZ3 LYS 10 HZ3 LYS 10 -14.870 -5.041 -7.232 84 H LEU 11 HN LEU 11 -13.017 -7.793 -1.627 85 HA LEU 11 HA LEU 11 -13.200 -9.060 -4.222 86 HB2 LEU 11 HB2 LEU 11 -11.003 -9.406 -2.163 87 HB3 LEU 11 HB1 LEU 11 -10.931 -9.863 -3.856 88 HG LEU 11 HG LEU 11 -10.680 -7.127 -2.597 89 HD11 LEU 11 HD11 LEU 11 -8.768 -6.907 -4.120 90 HD12 LEU 11 HD12 LEU 11 -9.130 -8.489 -4.810 91 HD13 LEU 11 HD13 LEU 11 -8.646 -8.355 -3.122 92 HD21 LEU 11 HD21 LEU 11 -10.981 -5.985 -4.755 93 HD22 LEU 11 HD22 LEU 11 -12.473 -6.734 -4.204 94 HD23 LEU 11 HD23 LEU 11 -11.535 -7.495 -5.492 95 H GLY 12 HN GLY 12 -14.035 -9.972 -1.036 96 HA2 GLY 12 HA2 GLY 12 -15.510 -11.772 -0.629 97 HA3 GLY 12 HA1 GLY 12 -14.830 -12.631 -2.002 98 H SER 13 HN SER 13 -12.074 -11.643 -0.568 99 HA SER 13 HA SER 13 -11.859 -13.285 1.741 100 HB2 SER 13 HB2 SER 13 -10.404 -15.100 0.749 101 HB3 SER 13 HB1 SER 13 -12.074 -15.157 0.179 102 HG SER 13 HG SER 13 -11.452 -14.290 -1.738 103 H VAL 14 HN VAL 14 -9.596 -13.644 2.401 104 HA VAL 14 HA VAL 14 -7.943 -11.294 1.991 105 HB VAL 14 HB VAL 14 -7.853 -13.670 3.900 106 HG11 VAL 14 HG11 VAL 14 -5.843 -12.729 4.991 107 HG12 VAL 14 HG12 VAL 14 -5.689 -11.540 3.694 108 HG13 VAL 14 HG13 VAL 14 -5.495 -13.255 3.346 109 HG21 VAL 14 HG21 VAL 14 -8.093 -10.663 4.289 110 HG22 VAL 14 HG22 VAL 14 -8.051 -11.859 5.603 111 HG23 VAL 14 HG23 VAL 14 -9.387 -11.863 4.453 112 H SER 15 HN SER 15 -7.978 -14.658 0.988 113 HA SER 15 HA SER 15 -5.279 -14.777 0.073 114 HB2 SER 15 HB2 SER 15 -6.097 -16.832 -1.190 115 HB3 SER 15 HB1 SER 15 -6.398 -16.863 0.547 116 HG SER 15 HG SER 15 -8.165 -16.976 -1.477 117 H ALA 16 HN ALA 16 -8.405 -14.043 -1.479 118 HA ALA 16 HA ALA 16 -7.411 -13.407 -4.070 119 HB1 ALA 16 HB1 ALA 16 -9.894 -12.325 -2.674 120 HB2 ALA 16 HB2 ALA 16 -9.814 -13.796 -3.648 121 HB3 ALA 16 HB3 ALA 16 -9.557 -12.224 -4.405 122 H LEU 17 HN LEU 17 -7.960 -11.444 -1.142 123 HA LEU 17 HA LEU 17 -7.410 -8.916 -2.263 124 HB2 LEU 17 HB2 LEU 17 -8.612 -9.216 -0.115 125 HB3 LEU 17 HB1 LEU 17 -7.127 -9.773 0.644 126 HG LEU 17 HG LEU 17 -6.098 -7.589 0.356 127 HD11 LEU 17 HD11 LEU 17 -7.330 -5.621 -0.509 128 HD12 LEU 17 HD12 LEU 17 -8.680 -6.666 -0.960 129 HD13 LEU 17 HD13 LEU 17 -7.114 -6.854 -1.750 130 HD21 LEU 17 HD21 LEU 17 -7.420 -6.270 1.910 131 HD22 LEU 17 HD22 LEU 17 -7.378 -7.968 2.383 132 HD23 LEU 17 HD23 LEU 17 -8.827 -7.302 1.617 133 H ALA 18 HN ALA 18 -5.334 -11.187 -0.560 134 HA ALA 18 HA ALA 18 -3.015 -9.526 -0.435 135 HB1 ALA 18 HB1 ALA 18 -3.473 -11.297 1.224 136 HB2 ALA 18 HB2 ALA 18 -1.892 -11.507 0.465 137 HB3 ALA 18 HB3 ALA 18 -3.250 -12.525 -0.026 138 H ALA 19 HN ALA 19 -4.179 -12.071 -2.615 139 HA ALA 19 HA ALA 19 -1.865 -12.366 -4.228 140 HB1 ALA 19 HB1 ALA 19 -3.402 -13.317 -5.919 141 HB2 ALA 19 HB2 ALA 19 -4.785 -12.722 -4.996 142 HB3 ALA 19 HB3 ALA 19 -3.736 -13.963 -4.309 143 H ALA 20 HN ALA 20 -4.576 -10.113 -4.291 144 HA ALA 20 HA ALA 20 -3.945 -8.792 -6.755 145 HB1 ALA 20 HB1 ALA 20 -5.731 -7.905 -4.461 146 HB2 ALA 20 HB2 ALA 20 -6.241 -8.844 -5.865 147 HB3 ALA 20 HB3 ALA 20 -5.696 -7.177 -6.069 148 H LEU 21 HN LEU 21 -3.272 -8.164 -3.349 149 HA LEU 21 HA LEU 21 -2.062 -5.569 -3.804 150 HB2 LEU 21 HB2 LEU 21 -2.349 -7.259 -1.300 151 HB3 LEU 21 HB1 LEU 21 -1.637 -5.648 -1.318 152 HG LEU 21 HG LEU 21 -4.507 -6.295 -2.104 153 HD11 LEU 21 HD11 LEU 21 -3.449 -5.066 0.443 154 HD12 LEU 21 HD12 LEU 21 -4.303 -6.602 0.250 155 HD13 LEU 21 HD13 LEU 21 -5.152 -5.085 -0.038 156 HD21 LEU 21 HD21 LEU 21 -3.132 -3.609 -1.838 157 HD22 LEU 21 HD22 LEU 21 -4.856 -3.858 -2.134 158 HD23 LEU 21 HD23 LEU 21 -3.675 -4.371 -3.334 159 H GLY 22 HN GLY 22 -0.982 -8.799 -3.858 160 HA2 GLY 22 HA2 GLY 22 1.084 -9.691 -4.347 161 HA3 GLY 22 HA1 GLY 22 1.739 -8.062 -4.424 162 H VAL 23 HN VAL 23 0.078 -9.481 -1.669 163 HA VAL 23 HA VAL 23 2.590 -9.877 -0.165 164 HB VAL 23 HB VAL 23 1.439 -9.078 1.908 165 HG11 VAL 23 HG11 VAL 23 1.556 -6.970 -0.277 166 HG12 VAL 23 HG12 VAL 23 2.916 -7.541 0.692 167 HG13 VAL 23 HG13 VAL 23 1.593 -6.665 1.462 168 HG21 VAL 23 HG21 VAL 23 -0.820 -8.178 0.053 169 HG22 VAL 23 HG22 VAL 23 -0.683 -7.771 1.764 170 HG23 VAL 23 HG23 VAL 23 -0.925 -9.447 1.278 171 H ASN 24 HN ASN 24 1.805 -11.158 2.040 172 HA ASN 24 HA ASN 24 0.316 -13.506 1.090 173 HB2 ASN 24 HB2 ASN 24 1.191 -14.718 3.017 174 HB3 ASN 24 HB1 ASN 24 2.504 -13.953 2.144 175 HD21 ASN 24 HD21 ASN 24 2.447 -14.919 4.879 176 HD22 ASN 24 HD22 ASN 24 2.843 -13.573 5.885 177 H GLN 25 HN GLN 25 -1.068 -14.601 2.748 178 HA GLN 25 HA GLN 25 -3.322 -13.035 3.301 179 HB2 GLN 25 HB2 GLN 25 -2.514 -15.820 4.226 180 HB3 GLN 25 HB1 GLN 25 -4.032 -15.096 4.733 181 HG2 GLN 25 HG2 GLN 25 -4.489 -16.545 2.899 182 HG3 GLN 25 HG1 GLN 25 -4.705 -14.892 2.341 183 HE21 GLN 25 HE21 GLN 25 -3.193 -14.040 0.854 184 HE22 GLN 25 HE22 GLN 25 -2.136 -15.048 -0.065 185 H SER 26 HN SER 26 -0.637 -13.947 5.386 186 HA SER 26 HA SER 26 -1.722 -13.095 7.860 187 HB2 SER 26 HB2 SER 26 1.205 -13.360 7.041 188 HB3 SER 26 HB1 SER 26 0.594 -13.264 8.700 189 HG SER 26 HG SER 26 -0.786 -15.180 7.757 190 H ALA 27 HN ALA 27 0.274 -11.406 5.397 191 HA ALA 27 HA ALA 27 0.874 -9.055 6.800 192 HB1 ALA 27 HB1 ALA 27 1.873 -9.599 4.616 193 HB2 ALA 27 HB2 ALA 27 1.186 -7.975 4.610 194 HB3 ALA 27 HB3 ALA 27 0.322 -9.303 3.828 195 H ILE 28 HN ILE 28 -1.972 -9.867 4.860 196 HA ILE 28 HA ILE 28 -3.380 -7.430 4.996 197 HB ILE 28 HB ILE 28 -4.516 -10.259 4.839 198 HG12 ILE 28 HG12 ILE 28 -2.893 -9.790 3.034 199 HG13 ILE 28 HG11 ILE 28 -4.525 -9.942 2.398 200 HG21 ILE 28 HG21 ILE 28 -6.500 -9.229 3.779 201 HG22 ILE 28 HG22 ILE 28 -5.819 -7.625 4.063 202 HG23 ILE 28 HG23 ILE 28 -6.275 -8.648 5.429 203 HD11 ILE 28 HD11 ILE 28 -4.675 -7.498 2.248 204 HD12 ILE 28 HD12 ILE 28 -3.336 -8.148 1.307 205 HD13 ILE 28 HD13 ILE 28 -3.024 -7.366 2.856 206 H SER 29 HN SER 29 -3.386 -10.250 7.138 207 HA SER 29 HA SER 29 -5.458 -9.448 8.897 208 HB2 SER 29 HB2 SER 29 -3.090 -11.275 9.502 209 HB3 SER 29 HB1 SER 29 -4.646 -11.253 10.340 210 HG SER 29 HG SER 29 -4.523 -11.719 7.554 211 H GLN 30 HN GLN 30 -1.909 -9.030 9.003 212 HA GLN 30 HA GLN 30 -1.729 -7.621 11.436 213 HB2 GLN 30 HB2 GLN 30 0.098 -8.075 9.116 214 HB3 GLN 30 HB1 GLN 30 0.399 -6.573 9.974 215 HG2 GLN 30 HG2 GLN 30 1.840 -8.220 10.910 216 HG3 GLN 30 HG1 GLN 30 0.600 -7.875 12.111 217 HE21 GLN 30 HE21 GLN 30 0.768 -9.786 13.193 218 HE22 GLN 30 HE22 GLN 30 0.359 -11.323 12.531 219 H TRP 31 HN TRP 31 -2.166 -6.459 8.086 220 HA TRP 31 HA TRP 31 -1.980 -3.691 8.600 221 HB2 TRP 31 HB2 TRP 31 -3.354 -5.177 6.342 222 HB3 TRP 31 HB1 TRP 31 -3.154 -3.427 6.375 223 HD1 TRP 31 HD1 TRP 31 0.046 -4.439 7.683 224 HE1 TRP 31 HE1 TRP 31 1.796 -4.699 5.814 225 HE3 TRP 31 HE3 TRP 31 -3.084 -4.665 3.632 226 HZ2 TRP 31 HZ2 TRP 31 1.841 -4.958 3.014 227 HZ3 TRP 31 HZ3 TRP 31 -2.105 -4.911 1.401 228 HH2 TRP 31 HH2 TRP 31 0.305 -5.057 1.098 229 H ARG 32 HN ARG 32 -4.702 -5.906 8.651 230 HA ARG 32 HA ARG 32 -6.791 -3.937 8.752 231 HB2 ARG 32 HB2 ARG 32 -7.012 -6.390 7.964 232 HB3 ARG 32 HB1 ARG 32 -7.001 -6.855 9.663 233 HG2 ARG 32 HG2 ARG 32 -9.008 -5.268 9.942 234 HG3 ARG 32 HG1 ARG 32 -9.075 -5.205 8.183 235 HD2 ARG 32 HD2 ARG 32 -10.663 -6.853 8.852 236 HD3 ARG 32 HD1 ARG 32 -9.278 -7.748 8.224 237 HE ARG 32 HE ARG 32 -8.593 -8.049 10.600 238 HH11 ARG 32 HH11 ARG 32 -12.530 -8.242 11.345 239 HH12 ARG 32 HH12 ARG 32 -11.985 -7.468 9.895 240 HH21 ARG 32 HH21 ARG 32 -9.328 -9.012 12.506 241 HH22 ARG 32 HH22 ARG 32 -11.029 -9.119 12.828 242 H ALA 33 HN ALA 33 -5.020 -5.907 11.092 243 HA ALA 33 HA ALA 33 -6.467 -4.941 13.390 244 HB1 ALA 33 HB1 ALA 33 -5.531 -7.206 13.383 245 HB2 ALA 33 HB2 ALA 33 -4.828 -6.263 14.698 246 HB3 ALA 33 HB3 ALA 33 -3.899 -6.553 13.223 247 H ARG 34 HN ARG 34 -3.755 -3.907 11.552 248 HA ARG 34 HA ARG 34 -2.506 -2.168 13.484 249 HB2 ARG 34 HB2 ARG 34 -1.258 -3.235 11.629 250 HB3 ARG 34 HB1 ARG 34 -2.297 -2.449 10.461 251 HG2 ARG 34 HG2 ARG 34 -0.208 -1.351 10.452 252 HG3 ARG 34 HG1 ARG 34 -1.385 -0.259 11.162 253 HD2 ARG 34 HD2 ARG 34 -0.532 -0.722 13.400 254 HD3 ARG 34 HD1 ARG 34 0.574 -1.941 12.754 255 HE ARG 34 HE ARG 34 1.462 0.094 11.403 256 HH11 ARG 34 HH11 ARG 34 0.477 0.179 14.772 257 HH12 ARG 34 HH12 ARG 34 1.566 1.464 15.162 258 HH21 ARG 34 HH21 ARG 34 2.878 1.751 11.944 259 HH22 ARG 34 HH22 ARG 34 2.928 2.361 13.565 260 H GLY 35 HN GLY 35 -4.874 -1.950 10.914 261 HA2 GLY 35 HA2 GLY 35 -6.652 -0.447 10.681 262 HA3 GLY 35 HA1 GLY 35 -5.903 0.619 11.864 263 H ARG 36 HN ARG 36 -3.591 -0.328 9.634 264 HA ARG 36 HA ARG 36 -4.124 1.603 7.533 265 HB2 ARG 36 HB2 ARG 36 -2.112 2.976 7.901 266 HB3 ARG 36 HB1 ARG 36 -3.124 3.066 9.327 267 HG2 ARG 36 HG2 ARG 36 -1.251 0.904 9.692 268 HG3 ARG 36 HG1 ARG 36 -0.356 2.314 9.150 269 HD2 ARG 36 HD2 ARG 36 -2.299 2.422 11.483 270 HD3 ARG 36 HD1 ARG 36 -0.602 1.979 11.689 271 HE ARG 36 HE ARG 36 -1.116 4.502 10.324 272 HH11 ARG 36 HH11 ARG 36 0.192 4.422 14.124 273 HH12 ARG 36 HH12 ARG 36 -0.422 2.975 13.403 274 HH21 ARG 36 HH21 ARG 36 0.315 6.376 12.873 275 HH22 ARG 36 HH22 ARG 36 -0.210 6.371 11.219 276 H VAL 37 HN VAL 37 -2.425 1.480 5.866 277 HA VAL 37 HA VAL 37 -0.918 -1.088 5.881 278 HB VAL 37 HB VAL 37 -1.088 -1.135 3.431 279 HG11 VAL 37 HG11 VAL 37 -3.497 -1.605 3.204 280 HG12 VAL 37 HG12 VAL 37 -3.807 -0.761 4.724 281 HG13 VAL 37 HG13 VAL 37 -2.847 -2.241 4.716 282 HG21 VAL 37 HG21 VAL 37 -1.134 1.282 2.946 283 HG22 VAL 37 HG22 VAL 37 -2.752 1.412 3.638 284 HG23 VAL 37 HG23 VAL 37 -2.493 0.471 2.167 285 HA PRO 38 HA PRO 38 3.036 1.084 5.192 286 HB2 PRO 38 HB2 PRO 38 3.293 -0.992 2.977 287 HB3 PRO 38 HB1 PRO 38 4.482 -0.507 4.208 288 HG2 PRO 38 HG2 PRO 38 3.179 -2.757 4.530 289 HG3 PRO 38 HG1 PRO 38 3.387 -1.657 5.916 290 HD2 PRO 38 HD2 PRO 38 0.948 -2.085 4.204 291 HD3 PRO 38 HD1 PRO 38 1.067 -1.884 5.965 292 H ALA 39 HN ALA 39 4.226 2.215 3.522 293 HA ALA 39 HA ALA 39 2.611 3.990 2.072 294 HB1 ALA 39 HB1 ALA 39 4.783 4.608 3.027 295 HB2 ALA 39 HB2 ALA 39 4.759 4.928 1.291 296 HB3 ALA 39 HB3 ALA 39 5.607 3.512 1.911 297 H GLY 40 HN GLY 40 1.675 3.697 0.126 298 HA2 GLY 40 HA2 GLY 40 1.483 3.347 -2.151 299 HA3 GLY 40 HA1 GLY 40 3.041 2.532 -2.154 300 H ARG 41 HN ARG 41 -0.266 2.073 -0.841 301 HA ARG 41 HA ARG 41 -0.649 -0.389 -2.262 302 HB2 ARG 41 HB2 ARG 41 0.820 -1.060 -0.247 303 HB3 ARG 41 HB1 ARG 41 -0.559 -0.676 0.770 304 HG2 ARG 41 HG2 ARG 41 -0.646 -3.015 0.481 305 HG3 ARG 41 HG1 ARG 41 -1.877 -2.391 -0.615 306 HD2 ARG 41 HD2 ARG 41 0.938 -3.205 -1.422 307 HD3 ARG 41 HD1 ARG 41 -0.502 -4.198 -1.626 308 HE ARG 41 HE ARG 41 -1.225 -2.034 -3.035 309 HH11 ARG 41 HH11 ARG 41 1.849 -3.764 -3.055 310 HH12 ARG 41 HH12 ARG 41 2.201 -3.358 -4.704 311 HH21 ARG 41 HH21 ARG 41 0.761 -2.108 -5.922 312 HH22 ARG 41 HH22 ARG 41 -0.717 -1.536 -5.224 313 H CYS 42 HN CYS 42 -1.684 1.937 0.105 314 HA CYS 42 HA CYS 42 -4.343 1.156 0.564 315 HB2 CYS 42 HB2 CYS 42 -3.429 2.889 1.930 316 HB3 CYS 42 HB1 CYS 42 -3.015 3.877 0.535 317 H ILE 43 HN ILE 43 -2.855 2.703 -2.161 318 HA ILE 43 HA ILE 43 -4.950 3.889 -3.552 319 HB ILE 43 HB ILE 43 -2.565 2.334 -4.655 320 HG12 ILE 43 HG12 ILE 43 -2.878 5.330 -4.109 321 HG13 ILE 43 HG11 ILE 43 -1.972 4.209 -3.098 322 HG21 ILE 43 HG21 ILE 43 -4.320 4.356 -6.109 323 HG22 ILE 43 HG22 ILE 43 -4.239 2.623 -6.427 324 HG23 ILE 43 HG23 ILE 43 -2.837 3.639 -6.751 325 HD11 ILE 43 HD11 ILE 43 -1.325 4.979 -5.936 326 HD12 ILE 43 HD12 ILE 43 -0.417 3.827 -4.953 327 HD13 ILE 43 HD13 ILE 43 -0.499 5.524 -4.478 328 H ASP 44 HN ASP 44 -3.873 0.510 -3.574 329 HA ASP 44 HA ASP 44 -5.758 -0.379 -5.542 330 HB2 ASP 44 HB2 ASP 44 -4.280 -2.137 -3.545 331 HB3 ASP 44 HB1 ASP 44 -4.889 -2.583 -5.139 332 H ILE 45 HN ILE 45 -5.482 -0.806 -2.012 333 HA ILE 45 HA ILE 45 -7.895 -2.117 -1.512 334 HB ILE 45 HB ILE 45 -6.260 -0.250 0.257 335 HG12 ILE 45 HG12 ILE 45 -6.495 -3.293 0.068 336 HG13 ILE 45 HG11 ILE 45 -5.068 -2.308 -0.236 337 HG21 ILE 45 HG21 ILE 45 -8.596 -1.966 1.155 338 HG22 ILE 45 HG22 ILE 45 -8.590 -0.205 1.064 339 HG23 ILE 45 HG23 ILE 45 -7.531 -1.027 2.207 340 HD11 ILE 45 HD11 ILE 45 -6.367 -2.871 2.443 341 HD12 ILE 45 HD12 ILE 45 -5.024 -1.749 2.197 342 HD13 ILE 45 HD13 ILE 45 -4.813 -3.463 1.847 343 H GLU 46 HN GLU 46 -7.284 1.297 -2.081 344 HA GLU 46 HA GLU 46 -9.811 2.252 -1.113 345 HB2 GLU 46 HB2 GLU 46 -7.755 3.674 -1.099 346 HB3 GLU 46 HB1 GLU 46 -7.794 3.727 -2.857 347 HG2 GLU 46 HG2 GLU 46 -9.753 5.032 -2.891 348 HG3 GLU 46 HG1 GLU 46 -10.151 4.648 -1.219 349 H LEU 47 HN LEU 47 -8.581 1.138 -4.208 350 HA LEU 47 HA LEU 47 -10.724 1.864 -5.900 351 HB2 LEU 47 HB2 LEU 47 -8.999 -0.642 -5.832 352 HB3 LEU 47 HB1 LEU 47 -10.140 -0.312 -7.121 353 HG LEU 47 HG LEU 47 -7.876 1.617 -6.490 354 HD11 LEU 47 HD11 LEU 47 -7.727 -0.722 -8.429 355 HD12 LEU 47 HD12 LEU 47 -6.835 -0.573 -6.917 356 HD13 LEU 47 HD13 LEU 47 -6.514 0.548 -8.234 357 HD21 LEU 47 HD21 LEU 47 -9.513 1.108 -8.995 358 HD22 LEU 47 HD22 LEU 47 -8.234 2.320 -8.834 359 HD23 LEU 47 HD23 LEU 47 -9.713 2.468 -7.886 360 H TYR 48 HN TYR 48 -10.286 -0.779 -3.577 361 HA TYR 48 HA TYR 48 -12.791 -2.089 -4.315 362 HB2 TYR 48 HB2 TYR 48 -11.139 -2.914 -1.902 363 HB3 TYR 48 HB1 TYR 48 -12.118 -3.923 -2.973 364 HD1 TYR 48 HD1 TYR 48 -9.133 -4.283 -1.989 365 HD2 TYR 48 HD2 TYR 48 -10.801 -2.796 -5.637 366 HE1 TYR 48 HE1 TYR 48 -7.077 -4.868 -3.177 367 HE2 TYR 48 HE2 TYR 48 -8.730 -3.368 -6.823 368 HH TYR 48 HH TYR 48 -6.300 -3.747 -6.210 369 H THR 49 HN THR 49 -11.824 0.342 -2.096 370 HA THR 49 HA THR 49 -14.298 0.063 -0.449 371 HB THR 49 HB THR 49 -13.104 1.085 1.419 372 HG1 THR 49 HG1 THR 49 -11.659 2.491 0.620 373 HG21 THR 49 HG21 THR 49 -11.368 -1.071 0.158 374 HG22 THR 49 HG22 THR 49 -12.797 -1.348 1.158 375 HG23 THR 49 HG23 THR 49 -11.365 -0.598 1.855 376 H ASP 50 HN ASP 50 -13.840 1.433 -2.988 377 HA ASP 50 HA ASP 50 -13.066 4.023 -3.114 378 HB2 ASP 50 HB2 ASP 50 -14.473 4.190 -5.177 379 HB3 ASP 50 HB1 ASP 50 -13.561 2.688 -5.085 380 H GLY 51 HN GLY 51 -16.434 3.063 -2.407 381 HA2 GLY 51 HA2 GLY 51 -16.996 5.823 -1.404 382 HA3 GLY 51 HA1 GLY 51 -18.162 4.884 -2.335 383 H ARG 52 HN ARG 52 -16.346 2.914 -0.305 384 HA ARG 52 HA ARG 52 -18.619 2.488 1.503 385 HB2 ARG 52 HB2 ARG 52 -16.140 0.868 0.847 386 HB3 ARG 52 HB1 ARG 52 -17.144 0.464 2.230 387 HG2 ARG 52 HG2 ARG 52 -17.819 -0.979 0.469 388 HG3 ARG 52 HG1 ARG 52 -19.099 0.214 0.646 389 HD2 ARG 52 HD2 ARG 52 -18.075 1.454 -1.317 390 HD3 ARG 52 HD1 ARG 52 -17.007 0.060 -1.554 391 HE ARG 52 HE ARG 52 -19.715 -0.779 -1.376 392 HH11 ARG 52 HH11 ARG 52 -17.551 0.767 -3.709 393 HH12 ARG 52 HH12 ARG 52 -18.477 0.222 -5.068 394 HH21 ARG 52 HH21 ARG 52 -20.378 -1.012 -4.749 395 HH22 ARG 52 HH22 ARG 52 -20.910 -1.415 -3.154 396 H VAL 53 HN VAL 53 -15.095 2.938 1.681 397 HA VAL 53 HA VAL 53 -15.298 4.641 4.019 398 HB VAL 53 HB VAL 53 -15.230 2.452 5.157 399 HG11 VAL 53 HG11 VAL 53 -14.256 1.088 3.374 400 HG12 VAL 53 HG12 VAL 53 -13.360 0.860 4.876 401 HG13 VAL 53 HG13 VAL 53 -12.689 1.874 3.595 402 HG21 VAL 53 HG21 VAL 53 -14.004 4.298 6.255 403 HG22 VAL 53 HG22 VAL 53 -12.530 3.860 5.390 404 HG23 VAL 53 HG23 VAL 53 -13.213 2.754 6.585 405 H GLU 54 HN GLU 54 -13.618 6.137 4.018 406 HA GLU 54 HA GLU 54 -11.841 6.219 1.779 407 HB2 GLU 54 HB2 GLU 54 -12.723 8.279 2.896 408 HB3 GLU 54 HB1 GLU 54 -11.732 7.926 4.311 409 HG2 GLU 54 HG2 GLU 54 -9.689 8.222 3.011 410 HG3 GLU 54 HG1 GLU 54 -10.616 8.403 1.523 411 H CYS 55 HN CYS 55 -9.764 5.610 1.611 412 HA CYS 55 HA CYS 55 -8.651 3.903 3.727 413 HB2 CYS 55 HB2 CYS 55 -8.946 2.794 1.620 414 HB3 CYS 55 HB1 CYS 55 -8.155 4.102 0.748 415 H ARG 56 HN ARG 56 -6.456 4.096 4.391 416 HA ARG 56 HA ARG 56 -4.881 6.357 3.420 417 HB2 ARG 56 HB2 ARG 56 -4.347 7.244 5.618 418 HB3 ARG 56 HB1 ARG 56 -6.090 7.228 5.423 419 HG2 ARG 56 HG2 ARG 56 -4.549 5.137 6.995 420 HG3 ARG 56 HG1 ARG 56 -5.257 6.578 7.719 421 HD2 ARG 56 HD2 ARG 56 -7.508 5.794 6.981 422 HD3 ARG 56 HD1 ARG 56 -6.751 4.344 6.312 423 HE ARG 56 HE ARG 56 -5.938 3.973 8.717 424 HH11 ARG 56 HH11 ARG 56 -9.036 5.477 8.006 425 HH12 ARG 56 HH12 ARG 56 -9.752 4.938 9.483 426 HH21 ARG 56 HH21 ARG 56 -6.902 3.311 10.654 427 HH22 ARG 56 HH22 ARG 56 -8.553 3.712 10.990 428 H GLU 57 HN GLU 57 -2.764 5.990 3.307 429 HA GLU 57 HA GLU 57 -1.554 3.535 4.471 430 HB2 GLU 57 HB2 GLU 57 0.197 3.823 2.633 431 HB3 GLU 57 HB1 GLU 57 -1.404 3.387 2.062 432 HG2 GLU 57 HG2 GLU 57 -1.828 5.768 1.473 433 HG3 GLU 57 HG1 GLU 57 -0.180 6.158 1.980 434 H LEU 58 HN LEU 58 0.726 3.791 5.034 435 HA LEU 58 HA LEU 58 1.355 6.194 6.472 436 HB2 LEU 58 HB2 LEU 58 3.069 3.765 5.825 437 HB3 LEU 58 HB1 LEU 58 3.500 5.028 6.973 438 HG LEU 58 HG LEU 58 1.105 3.167 7.260 439 HD11 LEU 58 HD11 LEU 58 2.336 2.037 9.043 440 HD12 LEU 58 HD12 LEU 58 3.752 3.049 8.734 441 HD13 LEU 58 HD13 LEU 58 3.190 1.912 7.505 442 HD21 LEU 58 HD21 LEU 58 2.232 5.205 9.223 443 HD22 LEU 58 HD22 LEU 58 0.926 4.067 9.563 444 HD23 LEU 58 HD23 LEU 58 0.699 5.325 8.353 445 H ARG 59 HN ARG 59 3.160 7.580 6.003 446 HA ARG 59 HA ARG 59 3.587 8.012 3.142 447 HB2 ARG 59 HB2 ARG 59 4.589 9.679 5.498 448 HB3 ARG 59 HB1 ARG 59 4.597 10.140 3.783 449 HG2 ARG 59 HG2 ARG 59 2.084 10.018 3.806 450 HG3 ARG 59 HG1 ARG 59 2.148 9.680 5.534 451 HD2 ARG 59 HD2 ARG 59 3.210 11.888 5.905 452 HD3 ARG 59 HD1 ARG 59 3.099 12.228 4.174 453 HE ARG 59 HE ARG 59 0.944 12.252 6.132 454 HH11 ARG 59 HH11 ARG 59 0.145 12.799 2.228 455 HH12 ARG 59 HH12 ARG 59 1.697 12.184 2.695 456 HH21 ARG 59 HH21 ARG 59 -1.095 13.046 5.482 457 HH22 ARG 59 HH22 ARG 59 -1.434 13.285 3.800 458 HA PRO 60 HA PRO 60 7.369 5.891 2.696 459 HB2 PRO 60 HB2 PRO 60 9.074 7.663 1.399 460 HB3 PRO 60 HB1 PRO 60 7.744 6.799 0.597 461 HG2 PRO 60 HG2 PRO 60 7.797 9.593 1.693 462 HG3 PRO 60 HG1 PRO 60 7.154 8.975 0.163 463 HD2 PRO 60 HD2 PRO 60 5.487 9.500 2.216 464 HD3 PRO 60 HD1 PRO 60 5.223 8.092 1.146 465 H ASP 61 HN ASP 61 8.735 5.347 4.137 466 HA ASP 61 HA ASP 61 9.870 7.181 6.121 467 HB2 ASP 61 HB2 ASP 61 8.739 5.103 6.902 468 HB3 ASP 61 HB1 ASP 61 9.895 4.127 6.008 469 H VAL 62 HN VAL 62 11.186 4.258 4.523 470 HA VAL 62 HA VAL 62 13.838 5.430 4.302 471 HB VAL 62 HB VAL 62 12.858 2.695 3.349 472 HG11 VAL 62 HG11 VAL 62 15.715 3.682 3.753 473 HG12 VAL 62 HG12 VAL 62 14.928 3.370 2.204 474 HG13 VAL 62 HG13 VAL 62 15.240 2.037 3.314 475 HG21 VAL 62 HG21 VAL 62 14.243 3.387 5.978 476 HG22 VAL 62 HG22 VAL 62 13.819 1.765 5.421 477 HG23 VAL 62 HG23 VAL 62 12.547 2.930 5.783 478 H PHE 63 HN PHE 63 11.499 3.887 2.112 479 HA PHE 63 HA PHE 63 10.876 4.068 -0.007 480 HB2 PHE 63 HB2 PHE 63 10.293 6.374 0.661 481 HB3 PHE 63 HB1 PHE 63 11.895 6.929 0.190 482 HD1 PHE 63 HD1 PHE 63 8.759 5.374 -1.174 483 HD2 PHE 63 HD2 PHE 63 12.320 7.575 -2.085 484 HE1 PHE 63 HE1 PHE 63 7.961 5.725 -3.482 485 HE2 PHE 63 HE2 PHE 63 11.506 7.922 -4.377 486 HZ PHE 63 HZ PHE 63 9.336 7.003 -5.083 487 H GLY 64 HN GLY 64 13.712 6.174 -0.236 488 HA2 GLY 64 HA2 GLY 64 15.645 4.587 -1.327 489 HA3 GLY 64 HA1 GLY 64 14.590 4.970 -2.693 490 H ALA 65 HN ALA 65 16.704 5.953 -3.365 491 HA ALA 65 HA ALA 65 17.960 7.697 -3.968 492 HB1 ALA 65 HB1 ALA 65 16.927 9.933 -4.059 493 HB2 ALA 65 HB2 ALA 65 15.624 9.391 -2.999 494 HB3 ALA 65 HB3 ALA 65 15.803 8.693 -4.611 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -14.790 -2.140 11.602 2 H2 MET 1 HT2 MET 1 -13.374 -3.031 11.374 3 H3 MET 1 HT3 MET 1 -14.857 -3.828 11.528 4 HA MET 1 HA MET 1 -14.151 -3.803 9.246 5 HB2 MET 1 HB2 MET 1 -16.528 -1.957 9.769 6 HB3 MET 1 HB1 MET 1 -16.197 -2.756 8.239 7 HG2 MET 1 HG2 MET 1 -16.476 -4.950 9.364 8 HG3 MET 1 HG1 MET 1 -16.901 -4.101 10.853 9 HE1 MET 1 HE1 MET 1 -18.751 -6.336 9.330 10 HE2 MET 1 HE2 MET 1 -20.338 -5.597 9.536 11 HE3 MET 1 HE3 MET 1 -19.187 -5.593 10.870 12 H ASN 2 HN ASN 2 -12.080 -2.686 9.270 13 HA ASN 2 HA ASN 2 -12.058 0.139 8.490 14 HB2 ASN 2 HB2 ASN 2 -9.562 -0.131 8.487 15 HB3 ASN 2 HB1 ASN 2 -10.318 -0.464 10.037 16 HD21 ASN 2 HD21 ASN 2 -8.553 -1.613 10.703 17 HD22 ASN 2 HD22 ASN 2 -8.208 -3.202 10.150 18 H ALA 3 HN ALA 3 -10.504 0.638 6.623 19 HA ALA 3 HA ALA 3 -11.593 0.032 4.209 20 HB1 ALA 3 HB1 ALA 3 -10.066 1.911 4.608 21 HB2 ALA 3 HB2 ALA 3 -9.563 0.980 3.197 22 HB3 ALA 3 HB3 ALA 3 -8.703 0.792 4.729 23 H ILE 4 HN ILE 4 -8.838 -1.570 5.749 24 HA ILE 4 HA ILE 4 -8.043 -3.232 3.600 25 HB ILE 4 HB ILE 4 -7.665 -3.912 6.543 26 HG12 ILE 4 HG12 ILE 4 -5.315 -2.753 6.137 27 HG13 ILE 4 HG11 ILE 4 -6.167 -1.864 4.888 28 HG21 ILE 4 HG21 ILE 4 -5.631 -5.091 5.811 29 HG22 ILE 4 HG22 ILE 4 -5.979 -4.658 4.134 30 HG23 ILE 4 HG23 ILE 4 -7.069 -5.731 5.018 31 HD11 ILE 4 HD11 ILE 4 -7.723 -0.999 6.648 32 HD12 ILE 4 HD12 ILE 4 -6.029 -0.562 6.908 33 HD13 ILE 4 HD13 ILE 4 -6.755 -1.856 7.856 34 H ASP 5 HN ASP 5 -10.351 -3.595 6.234 35 HA ASP 5 HA ASP 5 -10.965 -6.366 5.839 36 HB2 ASP 5 HB2 ASP 5 -11.264 -5.200 8.034 37 HB3 ASP 5 HB1 ASP 5 -12.582 -4.262 7.341 38 H ILE 6 HN ILE 6 -12.560 -3.328 4.916 39 HA ILE 6 HA ILE 6 -14.921 -4.459 3.826 40 HB ILE 6 HB ILE 6 -13.595 -1.778 3.188 41 HG12 ILE 6 HG12 ILE 6 -14.173 -2.027 5.594 42 HG13 ILE 6 HG11 ILE 6 -15.111 -0.766 4.813 43 HG21 ILE 6 HG21 ILE 6 -15.196 -2.344 1.419 44 HG22 ILE 6 HG22 ILE 6 -15.844 -1.039 2.409 45 HG23 ILE 6 HG23 ILE 6 -16.451 -2.682 2.614 46 HD11 ILE 6 HD11 ILE 6 -16.447 -2.053 6.385 47 HD12 ILE 6 HD12 ILE 6 -16.108 -3.534 5.490 48 HD13 ILE 6 HD13 ILE 6 -17.055 -2.247 4.742 49 H ALA 7 HN ALA 7 -11.706 -3.837 2.536 50 HA ALA 7 HA ALA 7 -12.210 -4.381 -0.213 51 HB1 ALA 7 HB1 ALA 7 -9.621 -4.716 1.337 52 HB2 ALA 7 HB2 ALA 7 -10.180 -3.225 0.573 53 HB3 ALA 7 HB3 ALA 7 -9.782 -4.633 -0.418 54 H ILE 8 HN ILE 8 -11.304 -6.478 2.526 55 HA ILE 8 HA ILE 8 -10.950 -8.948 1.218 56 HB ILE 8 HB ILE 8 -12.209 -8.486 3.976 57 HG12 ILE 8 HG12 ILE 8 -9.273 -9.040 3.330 58 HG13 ILE 8 HG11 ILE 8 -9.925 -7.448 3.690 59 HG21 ILE 8 HG21 ILE 8 -11.477 -10.786 4.525 60 HG22 ILE 8 HG22 ILE 8 -10.903 -11.008 2.870 61 HG23 ILE 8 HG23 ILE 8 -12.624 -10.777 3.189 62 HD11 ILE 8 HD11 ILE 8 -9.870 -9.798 5.576 63 HD12 ILE 8 HD12 ILE 8 -10.522 -8.198 5.938 64 HD13 ILE 8 HD13 ILE 8 -8.803 -8.395 5.605 65 H ASN 9 HN ASN 9 -13.886 -7.423 2.522 66 HA ASN 9 HA ASN 9 -15.699 -9.528 1.890 67 HB2 ASN 9 HB2 ASN 9 -16.218 -6.577 2.448 68 HB3 ASN 9 HB1 ASN 9 -17.490 -7.781 2.303 69 HD21 ASN 9 HD21 ASN 9 -15.044 -6.465 4.324 70 HD22 ASN 9 HD22 ASN 9 -15.375 -7.402 5.732 71 H LYS 10 HN LYS 10 -14.551 -6.718 0.089 72 HA LYS 10 HA LYS 10 -16.603 -6.742 -1.912 73 HB2 LYS 10 HB2 LYS 10 -14.930 -4.811 -1.221 74 HB3 LYS 10 HB1 LYS 10 -13.838 -5.530 -2.394 75 HG2 LYS 10 HG2 LYS 10 -16.561 -5.063 -3.491 76 HG3 LYS 10 HG1 LYS 10 -15.807 -3.594 -2.893 77 HD2 LYS 10 HD2 LYS 10 -15.198 -3.633 -5.147 78 HD3 LYS 10 HD1 LYS 10 -13.762 -4.250 -4.335 79 HE2 LYS 10 HE2 LYS 10 -14.401 -6.546 -4.945 80 HE3 LYS 10 HE1 LYS 10 -15.872 -5.944 -5.714 81 HZ1 LYS 10 HZ1 LYS 10 -13.117 -5.192 -6.556 82 HZ2 LYS 10 HZ2 LYS 10 -14.561 -4.795 -7.340 83 HZ3 LYS 10 HZ3 LYS 10 -14.045 -6.403 -7.287 84 H LEU 11 HN LEU 11 -13.263 -7.991 -1.779 85 HA LEU 11 HA LEU 11 -13.384 -9.109 -4.444 86 HB2 LEU 11 HB2 LEU 11 -11.294 -9.695 -2.313 87 HB3 LEU 11 HB1 LEU 11 -11.164 -10.004 -4.034 88 HG LEU 11 HG LEU 11 -10.877 -7.396 -2.541 89 HD11 LEU 11 HD11 LEU 11 -9.264 -8.653 -4.784 90 HD12 LEU 11 HD12 LEU 11 -8.850 -8.643 -3.071 91 HD13 LEU 11 HD13 LEU 11 -8.886 -7.130 -3.969 92 HD21 LEU 11 HD21 LEU 11 -11.041 -6.092 -4.610 93 HD22 LEU 11 HD22 LEU 11 -12.576 -6.839 -4.187 94 HD23 LEU 11 HD23 LEU 11 -11.594 -7.527 -5.481 95 H GLY 12 HN GLY 12 -14.102 -10.195 -1.226 96 HA2 GLY 12 HA2 GLY 12 -15.626 -12.021 -0.907 97 HA3 GLY 12 HA1 GLY 12 -14.887 -12.860 -2.266 98 H SER 13 HN SER 13 -12.125 -12.040 -1.220 99 HA SER 13 HA SER 13 -11.832 -13.556 1.245 100 HB2 SER 13 HB2 SER 13 -10.366 -15.297 0.276 101 HB3 SER 13 HB1 SER 13 -11.967 -15.363 -0.453 102 HG SER 13 HG SER 13 -11.155 -14.285 -2.258 103 H VAL 14 HN VAL 14 -9.650 -13.656 2.014 104 HA VAL 14 HA VAL 14 -8.016 -11.342 1.458 105 HB VAL 14 HB VAL 14 -7.702 -13.708 3.363 106 HG11 VAL 14 HG11 VAL 14 -5.429 -13.029 2.718 107 HG12 VAL 14 HG12 VAL 14 -5.761 -12.555 4.380 108 HG13 VAL 14 HG13 VAL 14 -5.799 -11.344 3.095 109 HG21 VAL 14 HG21 VAL 14 -8.053 -11.987 5.103 110 HG22 VAL 14 HG22 VAL 14 -9.408 -12.067 3.978 111 HG23 VAL 14 HG23 VAL 14 -8.228 -10.753 3.845 112 H SER 15 HN SER 15 -8.013 -14.773 0.644 113 HA SER 15 HA SER 15 -5.380 -15.048 -0.258 114 HB2 SER 15 HB2 SER 15 -6.263 -16.975 -1.606 115 HB3 SER 15 HB1 SER 15 -6.781 -16.999 0.082 116 HG SER 15 HG SER 15 -8.297 -16.149 -2.169 117 H ALA 16 HN ALA 16 -8.280 -13.847 -1.853 118 HA ALA 16 HA ALA 16 -7.080 -13.275 -4.407 119 HB1 ALA 16 HB1 ALA 16 -9.642 -12.227 -3.149 120 HB2 ALA 16 HB2 ALA 16 -9.496 -13.662 -4.166 121 HB3 ALA 16 HB3 ALA 16 -9.189 -12.064 -4.847 122 H LEU 17 HN LEU 17 -7.728 -11.432 -1.433 123 HA LEU 17 HA LEU 17 -7.194 -8.846 -2.462 124 HB2 LEU 17 HB2 LEU 17 -8.508 -9.265 -0.379 125 HB3 LEU 17 HB1 LEU 17 -7.037 -9.798 0.425 126 HG LEU 17 HG LEU 17 -6.074 -7.551 0.214 127 HD11 LEU 17 HD11 LEU 17 -7.397 -5.625 -0.553 128 HD12 LEU 17 HD12 LEU 17 -8.703 -6.707 -1.047 129 HD13 LEU 17 HD13 LEU 17 -7.132 -6.786 -1.850 130 HD21 LEU 17 HD21 LEU 17 -8.810 -7.450 1.496 131 HD22 LEU 17 HD22 LEU 17 -7.448 -6.372 1.829 132 HD23 LEU 17 HD23 LEU 17 -7.333 -8.085 2.230 133 H ALA 18 HN ALA 18 -5.198 -10.816 -0.283 134 HA ALA 18 HA ALA 18 -2.822 -9.414 -0.341 135 HB1 ALA 18 HB1 ALA 18 -3.368 -11.214 1.250 136 HB2 ALA 18 HB2 ALA 18 -1.791 -11.465 0.501 137 HB3 ALA 18 HB3 ALA 18 -3.187 -12.409 -0.035 138 H ALA 19 HN ALA 19 -3.981 -11.933 -2.590 139 HA ALA 19 HA ALA 19 -1.650 -12.227 -4.154 140 HB1 ALA 19 HB1 ALA 19 -3.129 -13.114 -5.899 141 HB2 ALA 19 HB2 ALA 19 -4.538 -12.453 -5.063 142 HB3 ALA 19 HB3 ALA 19 -3.590 -13.736 -4.313 143 H ALA 20 HN ALA 20 -4.262 -9.830 -4.317 144 HA ALA 20 HA ALA 20 -3.276 -8.473 -6.687 145 HB1 ALA 20 HB1 ALA 20 -5.389 -7.613 -4.675 146 HB2 ALA 20 HB2 ALA 20 -5.682 -8.509 -6.165 147 HB3 ALA 20 HB3 ALA 20 -5.084 -6.851 -6.236 148 H LEU 21 HN LEU 21 -2.848 -8.192 -3.230 149 HA LEU 21 HA LEU 21 -1.637 -5.517 -3.365 150 HB2 LEU 21 HB2 LEU 21 -2.325 -7.303 -1.003 151 HB3 LEU 21 HB1 LEU 21 -1.620 -5.697 -0.860 152 HG LEU 21 HG LEU 21 -4.365 -6.343 -2.007 153 HD11 LEU 21 HD11 LEU 21 -3.579 -5.005 0.588 154 HD12 LEU 21 HD12 LEU 21 -4.374 -6.568 0.375 155 HD13 LEU 21 HD13 LEU 21 -5.226 -5.089 -0.057 156 HD21 LEU 21 HD21 LEU 21 -4.709 -3.911 -2.126 157 HD22 LEU 21 HD22 LEU 21 -3.423 -4.459 -3.194 158 HD23 LEU 21 HD23 LEU 21 -3.018 -3.653 -1.678 159 H GLY 22 HN GLY 22 -0.596 -8.661 -3.663 160 HA2 GLY 22 HA2 GLY 22 1.508 -9.502 -4.057 161 HA3 GLY 22 HA1 GLY 22 2.139 -7.873 -3.884 162 H VAL 23 HN VAL 23 0.309 -9.500 -1.385 163 HA VAL 23 HA VAL 23 2.730 -9.937 0.255 164 HB VAL 23 HB VAL 23 1.377 -9.276 2.281 165 HG11 VAL 23 HG11 VAL 23 2.975 -7.687 1.326 166 HG12 VAL 23 HG12 VAL 23 1.574 -6.845 1.991 167 HG13 VAL 23 HG13 VAL 23 1.729 -7.052 0.244 168 HG21 VAL 23 HG21 VAL 23 -0.651 -8.225 0.258 169 HG22 VAL 23 HG22 VAL 23 -0.694 -7.925 1.998 170 HG23 VAL 23 HG23 VAL 23 -0.901 -9.565 1.383 171 H ASN 24 HN ASN 24 2.037 -11.263 2.276 172 HA ASN 24 HA ASN 24 0.565 -13.634 1.442 173 HB2 ASN 24 HB2 ASN 24 1.357 -14.641 3.552 174 HB3 ASN 24 HB1 ASN 24 2.698 -13.976 2.634 175 HD21 ASN 24 HD21 ASN 24 2.286 -14.539 5.577 176 HD22 ASN 24 HD22 ASN 24 2.729 -13.060 6.357 177 H GLN 25 HN GLN 25 -0.810 -14.597 3.307 178 HA GLN 25 HA GLN 25 -3.136 -12.895 3.330 179 HB2 GLN 25 HB2 GLN 25 -3.031 -15.577 4.762 180 HB3 GLN 25 HB1 GLN 25 -4.369 -14.838 3.882 181 HG2 GLN 25 HG2 GLN 25 -1.896 -16.149 2.722 182 HG3 GLN 25 HG1 GLN 25 -3.566 -16.698 2.592 183 HE21 GLN 25 HE21 GLN 25 -1.456 -15.942 0.546 184 HE22 GLN 25 HE22 GLN 25 -2.214 -14.773 -0.471 185 H SER 26 HN SER 26 -0.764 -13.912 5.623 186 HA SER 26 HA SER 26 -1.957 -13.122 8.058 187 HB2 SER 26 HB2 SER 26 0.041 -14.616 7.900 188 HB3 SER 26 HB1 SER 26 1.019 -13.254 7.354 189 HG SER 26 HG SER 26 -0.049 -13.809 9.883 190 H ALA 27 HN ALA 27 0.117 -11.397 5.712 191 HA ALA 27 HA ALA 27 0.635 -9.057 7.185 192 HB1 ALA 27 HB1 ALA 27 1.898 -9.632 5.165 193 HB2 ALA 27 HB2 ALA 27 1.243 -7.999 5.053 194 HB3 ALA 27 HB3 ALA 27 0.471 -9.320 4.171 195 H ILE 28 HN ILE 28 -2.061 -9.888 5.077 196 HA ILE 28 HA ILE 28 -3.411 -7.397 4.994 197 HB ILE 28 HB ILE 28 -4.584 -10.224 4.945 198 HG12 ILE 28 HG12 ILE 28 -2.898 -9.844 3.175 199 HG13 ILE 28 HG11 ILE 28 -4.510 -10.041 2.502 200 HG21 ILE 28 HG21 ILE 28 -6.521 -9.239 3.776 201 HG22 ILE 28 HG22 ILE 28 -5.848 -7.623 4.005 202 HG23 ILE 28 HG23 ILE 28 -6.348 -8.582 5.403 203 HD11 ILE 28 HD11 ILE 28 -4.673 -7.612 2.203 204 HD12 ILE 28 HD12 ILE 28 -3.294 -8.305 1.353 205 HD13 ILE 28 HD13 ILE 28 -3.044 -7.433 2.862 206 H SER 29 HN SER 29 -3.738 -10.191 7.163 207 HA SER 29 HA SER 29 -5.658 -9.141 8.933 208 HB2 SER 29 HB2 SER 29 -3.470 -11.194 9.464 209 HB3 SER 29 HB1 SER 29 -4.924 -10.957 10.441 210 HG SER 29 HG SER 29 -4.710 -12.538 8.400 211 H GLN 30 HN GLN 30 -2.141 -8.802 8.845 212 HA GLN 30 HA GLN 30 -1.791 -7.620 11.422 213 HB2 GLN 30 HB2 GLN 30 0.042 -7.353 8.988 214 HB3 GLN 30 HB1 GLN 30 0.477 -7.000 10.660 215 HG2 GLN 30 HG2 GLN 30 -0.136 -9.709 9.460 216 HG3 GLN 30 HG1 GLN 30 1.429 -9.128 10.001 217 HE21 GLN 30 HE21 GLN 30 -0.213 -11.506 10.769 218 HE22 GLN 30 HE22 GLN 30 -0.335 -11.428 12.494 219 H TRP 31 HN TRP 31 -2.248 -6.343 8.150 220 HA TRP 31 HA TRP 31 -2.054 -3.570 8.749 221 HB2 TRP 31 HB2 TRP 31 -3.472 -5.017 6.468 222 HB3 TRP 31 HB1 TRP 31 -3.289 -3.267 6.555 223 HD1 TRP 31 HD1 TRP 31 -0.073 -3.934 7.688 224 HE1 TRP 31 HE1 TRP 31 1.645 -4.261 5.808 225 HE3 TRP 31 HE3 TRP 31 -3.256 -4.854 3.797 226 HZ2 TRP 31 HZ2 TRP 31 1.665 -4.811 3.071 227 HZ3 TRP 31 HZ3 TRP 31 -2.298 -5.257 1.576 228 HH2 TRP 31 HH2 TRP 31 0.109 -5.236 1.219 229 H ARG 32 HN ARG 32 -4.643 -5.893 8.860 230 HA ARG 32 HA ARG 32 -6.798 -4.002 9.124 231 HB2 ARG 32 HB2 ARG 32 -7.099 -6.201 8.021 232 HB3 ARG 32 HB1 ARG 32 -6.729 -7.027 9.533 233 HG2 ARG 32 HG2 ARG 32 -8.742 -6.132 10.561 234 HG3 ARG 32 HG1 ARG 32 -9.093 -5.160 9.129 235 HD2 ARG 32 HD2 ARG 32 -10.493 -7.177 9.216 236 HD3 ARG 32 HD1 ARG 32 -9.434 -7.197 7.808 237 HE ARG 32 HE ARG 32 -8.124 -8.618 9.808 238 HH11 ARG 32 HH11 ARG 32 -11.172 -10.649 8.107 239 HH12 ARG 32 HH12 ARG 32 -11.142 -8.916 8.012 240 HH21 ARG 32 HH21 ARG 32 -8.142 -10.905 9.869 241 HH22 ARG 32 HH22 ARG 32 -9.461 -11.779 9.163 242 H ALA 33 HN ALA 33 -4.691 -5.767 11.303 243 HA ALA 33 HA ALA 33 -6.192 -5.005 13.676 244 HB1 ALA 33 HB1 ALA 33 -4.960 -7.133 13.664 245 HB2 ALA 33 HB2 ALA 33 -4.336 -6.072 14.924 246 HB3 ALA 33 HB3 ALA 33 -3.433 -6.281 13.420 247 H ARG 34 HN ARG 34 -3.579 -3.835 11.750 248 HA ARG 34 HA ARG 34 -2.430 -1.956 13.592 249 HB2 ARG 34 HB2 ARG 34 -1.216 -3.071 11.709 250 HB3 ARG 34 HB1 ARG 34 -2.269 -2.265 10.554 251 HG2 ARG 34 HG2 ARG 34 -0.228 -1.117 10.536 252 HG3 ARG 34 HG1 ARG 34 -1.360 -0.076 11.388 253 HD2 ARG 34 HD2 ARG 34 -0.420 -0.706 13.529 254 HD3 ARG 34 HD1 ARG 34 0.635 -1.906 12.772 255 HE ARG 34 HE ARG 34 0.952 0.997 12.783 256 HH11 ARG 34 HH11 ARG 34 3.668 -1.410 11.044 257 HH12 ARG 34 HH12 ARG 34 2.141 -2.075 11.519 258 HH21 ARG 34 HH21 ARG 34 4.128 0.804 11.415 259 HH22 ARG 34 HH22 ARG 34 2.951 1.827 12.174 260 H GLY 35 HN GLY 35 -4.886 -1.955 11.102 261 HA2 GLY 35 HA2 GLY 35 -6.530 -0.448 10.498 262 HA3 GLY 35 HA1 GLY 35 -5.952 0.662 11.735 263 H ARG 36 HN ARG 36 -3.373 -0.337 9.899 264 HA ARG 36 HA ARG 36 -3.408 1.941 8.035 265 HB2 ARG 36 HB2 ARG 36 -1.167 1.332 10.033 266 HB3 ARG 36 HB1 ARG 36 -1.081 2.551 8.770 267 HG2 ARG 36 HG2 ARG 36 -3.041 2.604 11.083 268 HG3 ARG 36 HG1 ARG 36 -1.501 3.462 11.063 269 HD2 ARG 36 HD2 ARG 36 -2.242 4.826 9.180 270 HD3 ARG 36 HD1 ARG 36 -3.746 3.902 9.065 271 HE ARG 36 HE ARG 36 -3.947 4.775 11.558 272 HH11 ARG 36 HH11 ARG 36 -2.952 6.571 8.715 273 HH12 ARG 36 HH12 ARG 36 -3.578 8.072 9.301 274 HH21 ARG 36 HH21 ARG 36 -4.665 8.176 11.320 275 HH22 ARG 36 HH22 ARG 36 -4.858 6.740 12.271 276 H VAL 37 HN VAL 37 -2.343 1.481 6.142 277 HA VAL 37 HA VAL 37 -0.818 -1.062 5.912 278 HB VAL 37 HB VAL 37 -1.303 -1.021 3.499 279 HG11 VAL 37 HG11 VAL 37 -3.744 -1.438 3.572 280 HG12 VAL 37 HG12 VAL 37 -3.813 -0.704 5.177 281 HG13 VAL 37 HG13 VAL 37 -2.891 -2.185 4.919 282 HG21 VAL 37 HG21 VAL 37 -1.402 1.402 3.115 283 HG22 VAL 37 HG22 VAL 37 -2.906 1.515 4.027 284 HG23 VAL 37 HG23 VAL 37 -2.861 0.630 2.498 285 HA PRO 38 HA PRO 38 2.903 1.366 4.744 286 HB2 PRO 38 HB2 PRO 38 3.218 -0.787 2.626 287 HB3 PRO 38 HB1 PRO 38 4.389 -0.191 3.825 288 HG2 PRO 38 HG2 PRO 38 3.240 -2.526 4.198 289 HG3 PRO 38 HG1 PRO 38 3.437 -1.410 5.573 290 HD2 PRO 38 HD2 PRO 38 0.966 -1.957 3.930 291 HD3 PRO 38 HD1 PRO 38 1.141 -1.809 5.694 292 H ALA 39 HN ALA 39 3.820 2.454 2.881 293 HA ALA 39 HA ALA 39 2.063 4.010 1.431 294 HB1 ALA 39 HB1 ALA 39 4.393 4.613 1.866 295 HB2 ALA 39 HB2 ALA 39 4.037 4.735 0.143 296 HB3 ALA 39 HB3 ALA 39 4.949 3.354 0.756 297 H GLY 40 HN GLY 40 1.445 4.113 -0.774 298 HA2 GLY 40 HA2 GLY 40 0.772 3.447 -2.844 299 HA3 GLY 40 HA1 GLY 40 2.245 2.489 -2.899 300 H ARG 41 HN ARG 41 -0.478 2.011 -0.606 301 HA ARG 41 HA ARG 41 -1.156 -0.506 -2.010 302 HB2 ARG 41 HB2 ARG 41 0.505 -0.815 -0.022 303 HB3 ARG 41 HB1 ARG 41 -0.877 -0.500 1.015 304 HG2 ARG 41 HG2 ARG 41 -0.763 -2.846 0.892 305 HG3 ARG 41 HG1 ARG 41 -2.046 -2.435 -0.247 306 HD2 ARG 41 HD2 ARG 41 0.841 -3.059 -0.978 307 HD3 ARG 41 HD1 ARG 41 -0.514 -4.176 -1.118 308 HE ARG 41 HE ARG 41 -1.237 -1.998 -2.680 309 HH11 ARG 41 HH11 ARG 41 1.472 -4.283 -2.658 310 HH12 ARG 41 HH12 ARG 41 1.754 -4.161 -4.364 311 HH21 ARG 41 HH21 ARG 41 0.467 -2.781 -5.651 312 HH22 ARG 41 HH22 ARG 41 -0.811 -1.843 -4.944 313 H CYS 42 HN CYS 42 -2.158 1.952 0.329 314 HA CYS 42 HA CYS 42 -4.874 1.081 0.516 315 HB2 CYS 42 HB2 CYS 42 -3.364 3.373 1.496 316 HB3 CYS 42 HB1 CYS 42 -4.931 3.890 0.888 317 H ILE 43 HN ILE 43 -3.110 2.682 -1.982 318 HA ILE 43 HA ILE 43 -5.096 3.881 -3.546 319 HB ILE 43 HB ILE 43 -2.692 2.233 -4.500 320 HG12 ILE 43 HG12 ILE 43 -2.910 5.245 -4.000 321 HG13 ILE 43 HG11 ILE 43 -2.057 4.102 -2.971 322 HG21 ILE 43 HG21 ILE 43 -4.304 4.317 -6.030 323 HG22 ILE 43 HG22 ILE 43 -4.307 2.578 -6.325 324 HG23 ILE 43 HG23 ILE 43 -2.843 3.513 -6.615 325 HD11 ILE 43 HD11 ILE 43 -0.475 3.654 -4.781 326 HD12 ILE 43 HD12 ILE 43 -0.523 5.361 -4.345 327 HD13 ILE 43 HD13 ILE 43 -1.329 4.807 -5.811 328 H ASP 44 HN ASP 44 -3.975 0.481 -3.474 329 HA ASP 44 HA ASP 44 -5.829 -0.498 -5.425 330 HB2 ASP 44 HB2 ASP 44 -4.443 -2.178 -3.296 331 HB3 ASP 44 HB1 ASP 44 -4.986 -2.689 -4.891 332 H ILE 45 HN ILE 45 -5.674 -0.670 -1.885 333 HA ILE 45 HA ILE 45 -8.021 -2.144 -1.422 334 HB ILE 45 HB ILE 45 -6.521 -0.194 0.387 335 HG12 ILE 45 HG12 ILE 45 -6.528 -3.250 0.213 336 HG13 ILE 45 HG11 ILE 45 -5.201 -2.175 -0.220 337 HG21 ILE 45 HG21 ILE 45 -8.704 -2.135 1.222 338 HG22 ILE 45 HG22 ILE 45 -8.849 -0.377 1.186 339 HG23 ILE 45 HG23 ILE 45 -7.725 -1.141 2.307 340 HD11 ILE 45 HD11 ILE 45 -5.014 -1.522 2.169 341 HD12 ILE 45 HD12 ILE 45 -4.738 -3.237 1.883 342 HD13 ILE 45 HD13 ILE 45 -6.276 -2.699 2.567 343 H GLU 46 HN GLU 46 -7.555 1.285 -2.081 344 HA GLU 46 HA GLU 46 -10.197 2.098 -1.232 345 HB2 GLU 46 HB2 GLU 46 -8.132 3.579 -1.161 346 HB3 GLU 46 HB1 GLU 46 -8.249 3.723 -2.909 347 HG2 GLU 46 HG2 GLU 46 -10.294 4.909 -2.777 348 HG3 GLU 46 HG1 GLU 46 -10.532 4.485 -1.081 349 H LEU 47 HN LEU 47 -8.783 0.934 -4.217 350 HA LEU 47 HA LEU 47 -10.909 1.477 -6.011 351 HB2 LEU 47 HB2 LEU 47 -9.126 -0.982 -5.755 352 HB3 LEU 47 HB1 LEU 47 -10.244 -0.757 -7.083 353 HG LEU 47 HG LEU 47 -7.989 1.213 -6.535 354 HD11 LEU 47 HD11 LEU 47 -7.891 -1.191 -8.409 355 HD12 LEU 47 HD12 LEU 47 -6.978 -1.015 -6.908 356 HD13 LEU 47 HD13 LEU 47 -6.660 0.069 -8.258 357 HD21 LEU 47 HD21 LEU 47 -9.650 0.622 -9.004 358 HD22 LEU 47 HD22 LEU 47 -8.377 1.844 -8.877 359 HD23 LEU 47 HD23 LEU 47 -9.852 2.011 -7.930 360 H TYR 48 HN TYR 48 -10.404 -1.026 -3.568 361 HA TYR 48 HA TYR 48 -12.932 -2.373 -4.163 362 HB2 TYR 48 HB2 TYR 48 -11.125 -3.161 -1.859 363 HB3 TYR 48 HB1 TYR 48 -12.154 -4.182 -2.870 364 HD1 TYR 48 HD1 TYR 48 -9.001 -4.227 -2.069 365 HD2 TYR 48 HD2 TYR 48 -11.170 -3.281 -5.624 366 HE1 TYR 48 HE1 TYR 48 -7.020 -4.760 -3.431 367 HE2 TYR 48 HE2 TYR 48 -9.194 -3.787 -6.982 368 HH TYR 48 HH TYR 48 -6.414 -5.345 -5.674 369 H THR 49 HN THR 49 -11.873 0.108 -2.080 370 HA THR 49 HA THR 49 -14.443 0.011 -0.576 371 HB THR 49 HB THR 49 -13.374 1.314 1.224 372 HG1 THR 49 HG1 THR 49 -10.802 1.010 0.173 373 HG21 THR 49 HG21 THR 49 -11.608 -1.058 0.496 374 HG22 THR 49 HG22 THR 49 -13.157 -1.162 1.335 375 HG23 THR 49 HG23 THR 49 -11.800 -0.344 2.102 376 H ASP 50 HN ASP 50 -14.593 0.810 -3.021 377 HA ASP 50 HA ASP 50 -13.704 3.057 -4.175 378 HB2 ASP 50 HB2 ASP 50 -14.983 1.520 -5.453 379 HB3 ASP 50 HB1 ASP 50 -16.386 1.680 -4.405 380 H GLY 51 HN GLY 51 -16.574 3.042 -2.067 381 HA2 GLY 51 HA2 GLY 51 -16.176 5.899 -1.486 382 HA3 GLY 51 HA1 GLY 51 -17.734 5.429 -2.162 383 H ARG 52 HN ARG 52 -15.816 3.478 0.005 384 HA ARG 52 HA ARG 52 -18.060 3.285 1.889 385 HB2 ARG 52 HB2 ARG 52 -15.428 1.738 1.724 386 HB3 ARG 52 HB1 ARG 52 -16.765 1.360 2.809 387 HG2 ARG 52 HG2 ARG 52 -16.815 1.216 -0.221 388 HG3 ARG 52 HG1 ARG 52 -16.728 -0.154 0.887 389 HD2 ARG 52 HD2 ARG 52 -18.962 0.633 1.831 390 HD3 ARG 52 HD1 ARG 52 -19.040 1.754 0.469 391 HE ARG 52 HE ARG 52 -18.759 -0.387 -0.930 392 HH11 ARG 52 HH11 ARG 52 -21.630 -1.482 1.672 393 HH12 ARG 52 HH12 ARG 52 -20.550 -0.194 2.089 394 HH21 ARG 52 HH21 ARG 52 -21.413 -2.560 -0.348 395 HH22 ARG 52 HH22 ARG 52 -20.168 -2.088 -1.461 396 H VAL 53 HN VAL 53 -14.559 3.808 1.939 397 HA VAL 53 HA VAL 53 -14.671 5.703 4.114 398 HB VAL 53 HB VAL 53 -14.712 3.583 5.381 399 HG11 VAL 53 HG11 VAL 53 -12.913 1.912 5.241 400 HG12 VAL 53 HG12 VAL 53 -12.158 2.816 3.925 401 HG13 VAL 53 HG13 VAL 53 -13.749 2.085 3.698 402 HG21 VAL 53 HG21 VAL 53 -13.438 5.441 6.379 403 HG22 VAL 53 HG22 VAL 53 -11.966 4.893 5.573 404 HG23 VAL 53 HG23 VAL 53 -12.720 3.892 6.816 405 H GLU 54 HN GLU 54 -12.774 6.946 4.237 406 HA GLU 54 HA GLU 54 -10.906 7.032 2.117 407 HB2 GLU 54 HB2 GLU 54 -11.344 8.997 3.511 408 HB3 GLU 54 HB1 GLU 54 -10.792 8.153 4.956 409 HG2 GLU 54 HG2 GLU 54 -8.500 7.990 3.807 410 HG3 GLU 54 HG1 GLU 54 -9.129 9.122 2.615 411 H CYS 55 HN CYS 55 -9.557 5.335 1.698 412 HA CYS 55 HA CYS 55 -8.260 3.827 3.820 413 HB2 CYS 55 HB2 CYS 55 -8.927 2.940 1.463 414 HB3 CYS 55 HB1 CYS 55 -7.465 3.741 0.888 415 H ARG 56 HN ARG 56 -6.227 4.244 4.626 416 HA ARG 56 HA ARG 56 -4.658 6.451 3.456 417 HB2 ARG 56 HB2 ARG 56 -4.139 7.313 5.750 418 HB3 ARG 56 HB1 ARG 56 -5.812 7.525 5.273 419 HG2 ARG 56 HG2 ARG 56 -4.918 5.251 7.068 420 HG3 ARG 56 HG1 ARG 56 -5.371 6.834 7.698 421 HD2 ARG 56 HD2 ARG 56 -7.619 6.580 6.684 422 HD3 ARG 56 HD1 ARG 56 -7.158 4.987 6.076 423 HE ARG 56 HE ARG 56 -6.758 5.017 8.854 424 HH11 ARG 56 HH11 ARG 56 -9.442 5.153 6.593 425 HH12 ARG 56 HH12 ARG 56 -10.561 4.415 7.686 426 HH21 ARG 56 HH21 ARG 56 -8.255 4.075 10.300 427 HH22 ARG 56 HH22 ARG 56 -9.885 3.807 9.793 428 H GLU 57 HN GLU 57 -2.640 5.988 3.172 429 HA GLU 57 HA GLU 57 -1.468 3.518 4.324 430 HB2 GLU 57 HB2 GLU 57 0.086 3.702 2.295 431 HB3 GLU 57 HB1 GLU 57 -1.601 3.351 1.945 432 HG2 GLU 57 HG2 GLU 57 -1.927 5.813 1.471 433 HG3 GLU 57 HG1 GLU 57 -0.179 5.998 1.629 434 H LEU 58 HN LEU 58 0.899 3.577 4.671 435 HA LEU 58 HA LEU 58 1.630 6.039 6.090 436 HB2 LEU 58 HB2 LEU 58 2.876 3.260 6.271 437 HB3 LEU 58 HB1 LEU 58 3.301 4.643 7.271 438 HG LEU 58 HG LEU 58 0.637 3.174 7.292 439 HD11 LEU 58 HD11 LEU 58 1.307 2.388 9.519 440 HD12 LEU 58 HD12 LEU 58 2.861 3.210 9.358 441 HD13 LEU 58 HD13 LEU 58 2.455 1.868 8.285 442 HD21 LEU 58 HD21 LEU 58 0.285 5.542 7.773 443 HD22 LEU 58 HD22 LEU 58 1.536 5.503 9.017 444 HD23 LEU 58 HD23 LEU 58 0.049 4.576 9.227 445 H ARG 59 HN ARG 59 2.824 7.380 4.969 446 HA ARG 59 HA ARG 59 3.862 7.123 2.481 447 HB2 ARG 59 HB2 ARG 59 4.987 9.219 2.803 448 HB3 ARG 59 HB1 ARG 59 3.507 9.274 3.765 449 HG2 ARG 59 HG2 ARG 59 6.321 8.810 4.826 450 HG3 ARG 59 HG1 ARG 59 5.397 10.302 4.969 451 HD2 ARG 59 HD2 ARG 59 3.825 9.243 6.480 452 HD3 ARG 59 HD1 ARG 59 4.542 7.658 6.194 453 HE ARG 59 HE ARG 59 5.975 9.866 7.560 454 HH11 ARG 59 HH11 ARG 59 6.123 6.008 8.704 455 HH12 ARG 59 HH12 ARG 59 5.162 6.450 7.339 456 HH21 ARG 59 HH21 ARG 59 7.275 7.611 9.873 457 HH22 ARG 59 HH22 ARG 59 7.182 9.276 9.391 458 HA PRO 60 HA PRO 60 7.552 4.739 2.413 459 HB2 PRO 60 HB2 PRO 60 9.186 6.026 0.611 460 HB3 PRO 60 HB1 PRO 60 7.672 5.231 0.133 461 HG2 PRO 60 HG2 PRO 60 8.153 8.146 0.709 462 HG3 PRO 60 HG1 PRO 60 7.319 7.396 -0.676 463 HD2 PRO 60 HD2 PRO 60 5.915 8.398 1.400 464 HD3 PRO 60 HD1 PRO 60 5.400 6.909 0.562 465 H ASP 61 HN ASP 61 7.674 7.668 3.984 466 HA ASP 61 HA ASP 61 10.492 7.775 4.601 467 HB2 ASP 61 HB2 ASP 61 8.117 9.331 5.722 468 HB3 ASP 61 HB1 ASP 61 9.809 9.661 6.095 469 H VAL 62 HN VAL 62 10.059 5.361 5.230 470 HA VAL 62 HA VAL 62 9.794 5.177 8.173 471 HB VAL 62 HB VAL 62 9.462 2.723 7.834 472 HG11 VAL 62 HG11 VAL 62 7.150 2.831 6.967 473 HG12 VAL 62 HG12 VAL 62 7.464 4.435 6.300 474 HG13 VAL 62 HG13 VAL 62 7.493 4.184 8.047 475 HG21 VAL 62 HG21 VAL 62 9.425 3.376 4.852 476 HG22 VAL 62 HG22 VAL 62 9.001 1.816 5.562 477 HG23 VAL 62 HG23 VAL 62 10.649 2.422 5.695 478 H PHE 63 HN PHE 63 12.062 5.832 6.068 479 HA PHE 63 HA PHE 63 14.147 3.933 6.965 480 HB2 PHE 63 HB2 PHE 63 14.046 5.690 4.469 481 HB3 PHE 63 HB1 PHE 63 15.347 4.579 4.882 482 HD1 PHE 63 HD1 PHE 63 12.342 4.927 3.036 483 HD2 PHE 63 HD2 PHE 63 14.623 2.056 5.228 484 HE1 PHE 63 HE1 PHE 63 11.199 3.105 1.848 485 HE2 PHE 63 HE2 PHE 63 13.478 0.240 4.033 486 HZ PHE 63 HZ PHE 63 11.762 0.759 2.342 487 H GLY 64 HN GLY 64 16.418 5.358 6.315 488 HA2 GLY 64 HA2 GLY 64 16.499 8.038 7.310 489 HA3 GLY 64 HA1 GLY 64 17.014 6.883 8.540 490 H ALA 65 HN ALA 65 19.086 6.157 8.481 491 HA ALA 65 HA ALA 65 20.815 6.917 6.200 492 HB1 ALA 65 HB1 ALA 65 22.705 6.657 7.778 493 HB2 ALA 65 HB2 ALA 65 21.586 6.153 9.047 494 HB3 ALA 65 HB3 ALA 65 21.503 7.790 8.401 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -15.126 -2.375 12.093 2 H2 MET 1 HT2 MET 1 -14.723 -0.741 11.936 3 H3 MET 1 HT3 MET 1 -13.505 -1.911 12.001 4 HA MET 1 HA MET 1 -14.143 -2.827 9.929 5 HB2 MET 1 HB2 MET 1 -16.588 -2.410 10.178 6 HB3 MET 1 HB1 MET 1 -16.321 -0.690 9.941 7 HG2 MET 1 HG2 MET 1 -15.493 -1.175 7.637 8 HG3 MET 1 HG1 MET 1 -15.877 -2.876 7.893 9 HE1 MET 1 HE1 MET 1 -18.384 -3.803 8.157 10 HE2 MET 1 HE2 MET 1 -19.803 -2.758 8.188 11 HE3 MET 1 HE3 MET 1 -18.648 -2.708 9.519 12 H ASN 2 HN ASN 2 -12.201 -2.164 9.150 13 HA ASN 2 HA ASN 2 -11.828 0.674 8.381 14 HB2 ASN 2 HB2 ASN 2 -9.370 0.216 8.404 15 HB3 ASN 2 HB1 ASN 2 -10.130 0.053 9.979 16 HD21 ASN 2 HD21 ASN 2 -8.637 -1.267 10.874 17 HD22 ASN 2 HD22 ASN 2 -8.331 -2.889 10.362 18 H ALA 3 HN ALA 3 -10.400 0.932 6.471 19 HA ALA 3 HA ALA 3 -11.608 0.049 4.160 20 HB1 ALA 3 HB1 ALA 3 -10.200 2.053 4.304 21 HB2 ALA 3 HB2 ALA 3 -9.693 1.009 2.971 22 HB3 ALA 3 HB3 ALA 3 -8.768 1.039 4.476 23 H ILE 4 HN ILE 4 -8.760 -1.317 5.765 24 HA ILE 4 HA ILE 4 -7.927 -3.072 3.722 25 HB ILE 4 HB ILE 4 -7.531 -3.548 6.706 26 HG12 ILE 4 HG12 ILE 4 -5.178 -2.432 6.185 27 HG13 ILE 4 HG11 ILE 4 -6.031 -1.669 4.852 28 HG21 ILE 4 HG21 ILE 4 -5.524 -4.798 6.040 29 HG22 ILE 4 HG22 ILE 4 -5.884 -4.479 4.343 30 HG23 ILE 4 HG23 ILE 4 -6.978 -5.482 5.300 31 HD11 ILE 4 HD11 ILE 4 -5.900 -0.190 6.754 32 HD12 ILE 4 HD12 ILE 4 -6.663 -1.395 7.788 33 HD13 ILE 4 HD13 ILE 4 -7.588 -0.645 6.484 34 H ASP 5 HN ASP 5 -10.258 -3.388 6.361 35 HA ASP 5 HA ASP 5 -10.864 -6.152 6.006 36 HB2 ASP 5 HB2 ASP 5 -11.259 -4.939 8.161 37 HB3 ASP 5 HB1 ASP 5 -12.557 -4.027 7.395 38 H ILE 6 HN ILE 6 -12.415 -3.117 4.873 39 HA ILE 6 HA ILE 6 -14.688 -4.315 3.689 40 HB ILE 6 HB ILE 6 -13.322 -1.640 3.184 41 HG12 ILE 6 HG12 ILE 6 -14.555 -1.950 5.334 42 HG13 ILE 6 HG11 ILE 6 -15.288 -0.706 4.327 43 HG21 ILE 6 HG21 ILE 6 -15.279 -0.946 1.798 44 HG22 ILE 6 HG22 ILE 6 -15.869 -2.609 1.813 45 HG23 ILE 6 HG23 ILE 6 -14.336 -2.226 1.030 46 HD11 ILE 6 HD11 ILE 6 -16.968 -2.070 5.388 47 HD12 ILE 6 HD12 ILE 6 -16.301 -3.534 4.674 48 HD13 ILE 6 HD13 ILE 6 -17.034 -2.299 3.643 49 H ALA 7 HN ALA 7 -11.443 -3.647 2.407 50 HA ALA 7 HA ALA 7 -11.935 -4.352 -0.282 51 HB1 ALA 7 HB1 ALA 7 -9.326 -4.559 1.244 52 HB2 ALA 7 HB2 ALA 7 -9.944 -3.106 0.453 53 HB3 ALA 7 HB3 ALA 7 -9.527 -4.521 -0.519 54 H ILE 8 HN ILE 8 -11.052 -6.325 2.556 55 HA ILE 8 HA ILE 8 -10.759 -8.852 1.387 56 HB ILE 8 HB ILE 8 -12.210 -8.226 4.007 57 HG12 ILE 8 HG12 ILE 8 -9.257 -8.897 3.625 58 HG13 ILE 8 HG11 ILE 8 -9.895 -7.291 3.953 59 HG21 ILE 8 HG21 ILE 8 -11.625 -10.535 4.681 60 HG22 ILE 8 HG22 ILE 8 -10.960 -10.831 3.074 61 HG23 ILE 8 HG23 ILE 8 -12.684 -10.504 3.267 62 HD11 ILE 8 HD11 ILE 8 -8.995 -8.286 5.964 63 HD12 ILE 8 HD12 ILE 8 -10.071 -9.671 5.799 64 HD13 ILE 8 HD13 ILE 8 -10.737 -8.067 6.123 65 H ASN 9 HN ASN 9 -13.723 -7.253 2.585 66 HA ASN 9 HA ASN 9 -15.527 -9.334 1.908 67 HB2 ASN 9 HB2 ASN 9 -16.124 -6.376 2.382 68 HB3 ASN 9 HB1 ASN 9 -17.329 -7.657 2.338 69 HD21 ASN 9 HD21 ASN 9 -14.985 -6.050 4.250 70 HD22 ASN 9 HD22 ASN 9 -15.237 -6.935 5.706 71 H LYS 10 HN LYS 10 -14.302 -6.590 0.127 72 HA LYS 10 HA LYS 10 -16.395 -6.474 -1.823 73 HB2 LYS 10 HB2 LYS 10 -14.852 -4.562 -1.006 74 HB3 LYS 10 HB1 LYS 10 -13.628 -5.207 -2.092 75 HG2 LYS 10 HG2 LYS 10 -16.389 -4.479 -3.103 76 HG3 LYS 10 HG1 LYS 10 -15.150 -3.242 -2.894 77 HD2 LYS 10 HD2 LYS 10 -13.681 -4.411 -4.485 78 HD3 LYS 10 HD1 LYS 10 -14.876 -5.710 -4.659 79 HE2 LYS 10 HE2 LYS 10 -16.508 -4.046 -5.547 80 HE3 LYS 10 HE1 LYS 10 -15.257 -2.804 -5.459 81 HZ1 LYS 10 HZ1 LYS 10 -13.929 -4.142 -7.010 82 HZ2 LYS 10 HZ2 LYS 10 -15.407 -3.667 -7.669 83 HZ3 LYS 10 HZ3 LYS 10 -15.198 -5.253 -7.133 84 H LEU 11 HN LEU 11 -13.004 -7.660 -1.833 85 HA LEU 11 HA LEU 11 -13.229 -8.764 -4.501 86 HB2 LEU 11 HB2 LEU 11 -11.043 -9.310 -2.441 87 HB3 LEU 11 HB1 LEU 11 -10.985 -9.672 -4.158 88 HG LEU 11 HG LEU 11 -10.702 -7.002 -2.776 89 HD11 LEU 11 HD11 LEU 11 -8.754 -6.779 -4.262 90 HD12 LEU 11 HD12 LEU 11 -9.101 -8.362 -4.961 91 HD13 LEU 11 HD13 LEU 11 -8.673 -8.219 -3.257 92 HD21 LEU 11 HD21 LEU 11 -11.465 -7.280 -5.699 93 HD22 LEU 11 HD22 LEU 11 -10.907 -5.803 -4.902 94 HD23 LEU 11 HD23 LEU 11 -12.429 -6.537 -4.416 95 H GLY 12 HN GLY 12 -13.939 -9.855 -1.310 96 HA2 GLY 12 HA2 GLY 12 -15.540 -11.637 -1.124 97 HA3 GLY 12 HA1 GLY 12 -14.680 -12.526 -2.369 98 H SER 13 HN SER 13 -12.038 -11.784 -1.132 99 HA SER 13 HA SER 13 -11.998 -13.164 1.418 100 HB2 SER 13 HB2 SER 13 -10.587 -15.064 0.604 101 HB3 SER 13 HB1 SER 13 -12.186 -15.080 -0.141 102 HG SER 13 HG SER 13 -10.338 -15.399 -1.588 103 H VAL 14 HN VAL 14 -9.818 -13.398 2.270 104 HA VAL 14 HA VAL 14 -8.058 -11.182 1.729 105 HB VAL 14 HB VAL 14 -7.869 -13.538 3.674 106 HG11 VAL 14 HG11 VAL 14 -5.984 -11.164 3.499 107 HG12 VAL 14 HG12 VAL 14 -5.578 -12.826 3.079 108 HG13 VAL 14 HG13 VAL 14 -5.964 -12.411 4.749 109 HG21 VAL 14 HG21 VAL 14 -8.271 -11.776 5.382 110 HG22 VAL 14 HG22 VAL 14 -9.593 -11.904 4.219 111 HG23 VAL 14 HG23 VAL 14 -8.421 -10.585 4.077 112 H SER 15 HN SER 15 -8.269 -14.545 0.821 113 HA SER 15 HA SER 15 -5.582 -14.898 -0.026 114 HB2 SER 15 HB2 SER 15 -6.577 -16.877 -1.288 115 HB3 SER 15 HB1 SER 15 -6.896 -16.845 0.449 116 HG SER 15 HG SER 15 -8.697 -17.222 -1.218 117 H ALA 16 HN ALA 16 -8.557 -13.834 -1.684 118 HA ALA 16 HA ALA 16 -7.298 -13.359 -4.229 119 HB1 ALA 16 HB1 ALA 16 -9.944 -12.318 -3.158 120 HB2 ALA 16 HB2 ALA 16 -9.710 -13.808 -4.070 121 HB3 ALA 16 HB3 ALA 16 -9.404 -12.252 -4.843 122 H LEU 17 HN LEU 17 -8.012 -11.413 -1.347 123 HA LEU 17 HA LEU 17 -7.461 -8.864 -2.423 124 HB2 LEU 17 HB2 LEU 17 -8.709 -9.168 -0.316 125 HB3 LEU 17 HB1 LEU 17 -7.269 -9.809 0.460 126 HG LEU 17 HG LEU 17 -6.153 -7.638 0.292 127 HD11 LEU 17 HD11 LEU 17 -7.324 -5.624 -0.502 128 HD12 LEU 17 HD12 LEU 17 -8.687 -6.615 -1.031 129 HD13 LEU 17 HD13 LEU 17 -7.104 -6.801 -1.794 130 HD21 LEU 17 HD21 LEU 17 -8.901 -7.351 1.498 131 HD22 LEU 17 HD22 LEU 17 -7.485 -6.357 1.861 132 HD23 LEU 17 HD23 LEU 17 -7.486 -8.073 2.271 133 H ALA 18 HN ALA 18 -5.432 -11.029 -0.494 134 HA ALA 18 HA ALA 18 -3.120 -9.420 -0.428 135 HB1 ALA 18 HB1 ALA 18 -3.617 -11.181 1.217 136 HB2 ALA 18 HB2 ALA 18 -2.019 -11.388 0.499 137 HB3 ALA 18 HB3 ALA 18 -3.361 -12.416 -0.016 138 H ALA 19 HN ALA 19 -4.202 -11.991 -2.610 139 HA ALA 19 HA ALA 19 -1.892 -12.326 -4.166 140 HB1 ALA 19 HB1 ALA 19 -3.401 -13.180 -5.919 141 HB2 ALA 19 HB2 ALA 19 -4.792 -12.514 -5.050 142 HB3 ALA 19 HB3 ALA 19 -3.837 -13.812 -4.330 143 H ALA 20 HN ALA 20 -4.563 -10.012 -4.449 144 HA ALA 20 HA ALA 20 -3.674 -8.659 -6.791 145 HB1 ALA 20 HB1 ALA 20 -5.509 -7.678 -4.565 146 HB2 ALA 20 HB2 ALA 20 -6.013 -8.565 -6.004 147 HB3 ALA 20 HB3 ALA 20 -5.339 -6.945 -6.170 148 H LEU 21 HN LEU 21 -3.216 -8.098 -3.323 149 HA LEU 21 HA LEU 21 -1.837 -5.576 -3.643 150 HB2 LEU 21 HB2 LEU 21 -2.338 -7.351 -1.219 151 HB3 LEU 21 HB1 LEU 21 -1.576 -5.766 -1.135 152 HG LEU 21 HG LEU 21 -4.404 -6.247 -2.160 153 HD11 LEU 21 HD11 LEU 21 -3.486 -5.265 0.554 154 HD12 LEU 21 HD12 LEU 21 -4.375 -6.749 0.181 155 HD13 LEU 21 HD13 LEU 21 -5.149 -5.180 -0.045 156 HD21 LEU 21 HD21 LEU 21 -3.380 -4.270 -3.141 157 HD22 LEU 21 HD22 LEU 21 -2.955 -3.661 -1.539 158 HD23 LEU 21 HD23 LEU 21 -4.650 -3.816 -2.008 159 H GLY 22 HN GLY 22 -0.835 -8.805 -3.851 160 HA2 GLY 22 HA2 GLY 22 1.243 -9.671 -4.351 161 HA3 GLY 22 HA1 GLY 22 1.913 -8.050 -4.248 162 H VAL 23 HN VAL 23 0.128 -9.584 -1.668 163 HA VAL 23 HA VAL 23 2.557 -10.154 -0.075 164 HB VAL 23 HB VAL 23 1.395 -9.312 1.971 165 HG11 VAL 23 HG11 VAL 23 2.942 -7.784 0.842 166 HG12 VAL 23 HG12 VAL 23 1.592 -6.889 1.541 167 HG13 VAL 23 HG13 VAL 23 1.640 -7.193 -0.196 168 HG21 VAL 23 HG21 VAL 23 -0.758 -8.298 0.065 169 HG22 VAL 23 HG22 VAL 23 -0.679 -7.944 1.796 170 HG23 VAL 23 HG23 VAL 23 -0.946 -9.598 1.243 171 H ASN 24 HN ASN 24 1.732 -11.393 2.027 172 HA ASN 24 HA ASN 24 0.087 -13.665 1.149 173 HB2 ASN 24 HB2 ASN 24 0.883 -14.785 3.202 174 HB3 ASN 24 HB1 ASN 24 2.227 -14.209 2.236 175 HD21 ASN 24 HD21 ASN 24 2.011 -14.838 5.130 176 HD22 ASN 24 HD22 ASN 24 2.582 -13.418 5.936 177 H GLN 25 HN GLN 25 -1.359 -14.591 2.908 178 HA GLN 25 HA GLN 25 -3.515 -12.816 3.329 179 HB2 GLN 25 HB2 GLN 25 -3.018 -15.640 4.373 180 HB3 GLN 25 HB1 GLN 25 -4.499 -14.760 4.715 181 HG2 GLN 25 HG2 GLN 25 -4.876 -16.312 2.903 182 HG3 GLN 25 HG1 GLN 25 -5.009 -14.659 2.317 183 HE21 GLN 25 HE21 GLN 25 -3.572 -13.950 0.749 184 HE22 GLN 25 HE22 GLN 25 -2.443 -14.990 -0.035 185 H SER 26 HN SER 26 -0.989 -14.017 5.480 186 HA SER 26 HA SER 26 -1.969 -13.154 7.958 187 HB2 SER 26 HB2 SER 26 0.943 -13.416 7.088 188 HB3 SER 26 HB1 SER 26 0.353 -13.423 8.753 189 HG SER 26 HG SER 26 -0.283 -15.434 8.531 190 H ALA 27 HN ALA 27 -0.022 -11.452 5.504 191 HA ALA 27 HA ALA 27 0.706 -9.168 6.965 192 HB1 ALA 27 HB1 ALA 27 1.738 -9.754 4.813 193 HB2 ALA 27 HB2 ALA 27 1.131 -8.095 4.796 194 HB3 ALA 27 HB3 ALA 27 0.235 -9.381 3.973 195 H ILE 28 HN ILE 28 -2.205 -9.903 5.107 196 HA ILE 28 HA ILE 28 -3.349 -7.321 5.034 197 HB ILE 28 HB ILE 28 -4.760 -10.030 4.995 198 HG12 ILE 28 HG12 ILE 28 -3.034 -9.889 3.234 199 HG13 ILE 28 HG11 ILE 28 -4.642 -9.853 2.518 200 HG21 ILE 28 HG21 ILE 28 -5.725 -7.331 3.988 201 HG22 ILE 28 HG22 ILE 28 -6.344 -8.194 5.400 202 HG23 ILE 28 HG23 ILE 28 -6.571 -8.866 3.784 203 HD11 ILE 28 HD11 ILE 28 -4.456 -7.421 2.261 204 HD12 ILE 28 HD12 ILE 28 -3.181 -8.302 1.426 205 HD13 ILE 28 HD13 ILE 28 -2.826 -7.488 2.946 206 H SER 29 HN SER 29 -3.773 -10.052 7.278 207 HA SER 29 HA SER 29 -5.664 -8.848 9.010 208 HB2 SER 29 HB2 SER 29 -3.630 -11.041 9.572 209 HB3 SER 29 HB1 SER 29 -5.039 -10.669 10.572 210 HG SER 29 HG SER 29 -4.880 -11.970 8.130 211 H GLN 30 HN GLN 30 -2.161 -8.678 8.844 212 HA GLN 30 HA GLN 30 -1.674 -7.413 11.361 213 HB2 GLN 30 HB2 GLN 30 -0.023 -7.489 8.798 214 HB3 GLN 30 HB1 GLN 30 0.562 -6.843 10.328 215 HG2 GLN 30 HG2 GLN 30 -0.391 -9.705 10.038 216 HG3 GLN 30 HG1 GLN 30 1.270 -9.222 9.720 217 HE21 GLN 30 HE21 GLN 30 1.958 -10.635 11.372 218 HE22 GLN 30 HE22 GLN 30 1.801 -10.227 13.040 219 H TRP 31 HN TRP 31 -2.234 -6.228 8.053 220 HA TRP 31 HA TRP 31 -1.816 -3.446 8.587 221 HB2 TRP 31 HB2 TRP 31 -3.356 -4.819 6.337 222 HB3 TRP 31 HB1 TRP 31 -2.925 -3.108 6.361 223 HD1 TRP 31 HD1 TRP 31 0.114 -4.446 7.638 224 HE1 TRP 31 HE1 TRP 31 1.802 -4.994 5.785 225 HE3 TRP 31 HE3 TRP 31 -3.032 -4.453 3.597 226 HZ2 TRP 31 HZ2 TRP 31 1.818 -5.356 3.013 227 HZ3 TRP 31 HZ3 TRP 31 -2.090 -4.893 1.375 228 HH2 TRP 31 HH2 TRP 31 0.286 -5.336 1.093 229 H ARG 32 HN ARG 32 -4.549 -5.597 8.653 230 HA ARG 32 HA ARG 32 -6.589 -3.621 8.997 231 HB2 ARG 32 HB2 ARG 32 -6.984 -5.859 7.977 232 HB3 ARG 32 HB1 ARG 32 -6.620 -6.627 9.520 233 HG2 ARG 32 HG2 ARG 32 -8.588 -5.521 10.530 234 HG3 ARG 32 HG1 ARG 32 -8.940 -4.745 8.982 235 HD2 ARG 32 HD2 ARG 32 -10.358 -6.705 9.312 236 HD3 ARG 32 HD1 ARG 32 -9.270 -6.950 7.943 237 HE ARG 32 HE ARG 32 -7.952 -8.066 10.075 238 HH11 ARG 32 HH11 ARG 32 -11.191 -10.247 9.058 239 HH12 ARG 32 HH12 ARG 32 -11.126 -8.569 8.612 240 HH21 ARG 32 HH21 ARG 32 -8.053 -10.263 10.644 241 HH22 ARG 32 HH22 ARG 32 -9.440 -11.207 10.213 242 H ALA 33 HN ALA 33 -4.560 -5.614 11.112 243 HA ALA 33 HA ALA 33 -5.890 -4.856 13.544 244 HB1 ALA 33 HB1 ALA 33 -4.612 -6.965 13.396 245 HB2 ALA 33 HB2 ALA 33 -3.969 -5.936 14.675 246 HB3 ALA 33 HB3 ALA 33 -3.119 -6.064 13.130 247 H ARG 34 HN ARG 34 -3.212 -3.638 11.642 248 HA ARG 34 HA ARG 34 -2.259 -1.655 13.463 249 HB2 ARG 34 HB2 ARG 34 -1.036 -2.738 11.501 250 HB3 ARG 34 HB1 ARG 34 -2.004 -1.737 10.426 251 HG2 ARG 34 HG2 ARG 34 -0.586 0.007 10.703 252 HG3 ARG 34 HG1 ARG 34 -0.820 -0.027 12.447 253 HD2 ARG 34 HD2 ARG 34 1.489 -0.323 12.220 254 HD3 ARG 34 HD1 ARG 34 0.914 -1.969 12.442 255 HE ARG 34 HE ARG 34 1.935 -0.762 9.962 256 HH11 ARG 34 HH11 ARG 34 1.321 -4.733 10.320 257 HH12 ARG 34 HH12 ARG 34 0.740 -3.675 11.566 258 HH21 ARG 34 HH21 ARG 34 2.456 -3.859 8.515 259 HH22 ARG 34 HH22 ARG 34 2.739 -2.154 8.386 260 H GLY 35 HN GLY 35 -4.772 -1.864 11.038 261 HA2 GLY 35 HA2 GLY 35 -6.602 -0.489 10.642 262 HA3 GLY 35 HA1 GLY 35 -5.935 0.704 11.749 263 H ARG 36 HN ARG 36 -3.583 -0.281 9.571 264 HA ARG 36 HA ARG 36 -4.080 1.593 7.442 265 HB2 ARG 36 HB2 ARG 36 -3.412 3.126 9.281 266 HB3 ARG 36 HB1 ARG 36 -1.932 2.217 9.532 267 HG2 ARG 36 HG2 ARG 36 -0.983 2.986 7.480 268 HG3 ARG 36 HG1 ARG 36 -2.543 3.553 6.874 269 HD2 ARG 36 HD2 ARG 36 -1.064 4.761 9.244 270 HD3 ARG 36 HD1 ARG 36 -1.066 5.419 7.601 271 HE ARG 36 HE ARG 36 -3.717 5.043 8.501 272 HH11 ARG 36 HH11 ARG 36 -2.056 8.566 9.482 273 HH12 ARG 36 HH12 ARG 36 -1.025 7.248 9.021 274 HH21 ARG 36 HH21 ARG 36 -5.034 6.749 9.122 275 HH22 ARG 36 HH22 ARG 36 -4.331 8.279 9.537 276 H VAL 37 HN VAL 37 -2.750 1.164 5.703 277 HA VAL 37 HA VAL 37 -1.027 -1.206 5.887 278 HB VAL 37 HB VAL 37 -1.090 -1.273 3.446 279 HG11 VAL 37 HG11 VAL 37 -3.855 -0.712 4.575 280 HG12 VAL 37 HG12 VAL 37 -2.997 -2.254 4.618 281 HG13 VAL 37 HG13 VAL 37 -3.506 -1.576 3.075 282 HG21 VAL 37 HG21 VAL 37 -0.969 1.130 2.934 283 HG22 VAL 37 HG22 VAL 37 -2.614 1.364 3.528 284 HG23 VAL 37 HG23 VAL 37 -2.327 0.386 2.086 285 HA PRO 38 HA PRO 38 2.947 1.026 5.367 286 HB2 PRO 38 HB2 PRO 38 3.429 -1.193 3.354 287 HB3 PRO 38 HB1 PRO 38 4.491 -0.598 4.654 288 HG2 PRO 38 HG2 PRO 38 3.189 -2.867 4.997 289 HG3 PRO 38 HG1 PRO 38 3.273 -1.696 6.339 290 HD2 PRO 38 HD2 PRO 38 0.986 -2.241 4.450 291 HD3 PRO 38 HD1 PRO 38 0.956 -1.957 6.206 292 H ALA 39 HN ALA 39 4.205 2.000 3.616 293 HA ALA 39 HA ALA 39 2.578 3.720 2.136 294 HB1 ALA 39 HB1 ALA 39 4.795 4.341 2.972 295 HB2 ALA 39 HB2 ALA 39 4.685 4.641 1.234 296 HB3 ALA 39 HB3 ALA 39 5.565 3.232 1.836 297 H GLY 40 HN GLY 40 1.986 3.830 -0.011 298 HA2 GLY 40 HA2 GLY 40 1.776 3.425 -2.249 299 HA3 GLY 40 HA1 GLY 40 3.269 2.509 -2.185 300 H ARG 41 HN ARG 41 0.075 1.959 -0.621 301 HA ARG 41 HA ARG 41 -0.352 -0.433 -2.276 302 HB2 ARG 41 HB2 ARG 41 1.032 -1.112 -0.235 303 HB3 ARG 41 HB1 ARG 41 -0.346 -0.669 0.763 304 HG2 ARG 41 HG2 ARG 41 -0.483 -3.019 0.512 305 HG3 ARG 41 HG1 ARG 41 -1.708 -2.377 -0.583 306 HD2 ARG 41 HD2 ARG 41 1.068 -3.315 -1.379 307 HD3 ARG 41 HD1 ARG 41 -0.417 -4.241 -1.574 308 HE ARG 41 HE ARG 41 -0.956 -1.995 -3.001 309 HH11 ARG 41 HH11 ARG 41 2.115 -3.969 -4.730 310 HH12 ARG 41 HH12 ARG 41 1.764 -4.247 -3.056 311 HH21 ARG 41 HH21 ARG 41 -0.429 -1.628 -5.205 312 HH22 ARG 41 HH22 ARG 41 0.882 -2.498 -5.935 313 H CYS 42 HN CYS 42 -1.546 1.947 -0.029 314 HA CYS 42 HA CYS 42 -4.226 1.095 0.238 315 HB2 CYS 42 HB2 CYS 42 -3.336 2.738 1.739 316 HB3 CYS 42 HB1 CYS 42 -2.970 3.839 0.417 317 H ILE 43 HN ILE 43 -2.544 2.606 -2.383 318 HA ILE 43 HA ILE 43 -4.451 3.805 -3.960 319 HB ILE 43 HB ILE 43 -2.338 1.788 -4.894 320 HG12 ILE 43 HG12 ILE 43 -2.053 4.819 -4.603 321 HG13 ILE 43 HG11 ILE 43 -1.395 3.636 -3.476 322 HG21 ILE 43 HG21 ILE 43 -3.679 4.021 -6.465 323 HG22 ILE 43 HG22 ILE 43 -3.971 2.292 -6.671 324 HG23 ILE 43 HG23 ILE 43 -2.391 2.973 -7.062 325 HD11 ILE 43 HD11 ILE 43 -0.605 3.958 -6.370 326 HD12 ILE 43 HD12 ILE 43 0.027 2.737 -5.259 327 HD13 ILE 43 HD13 ILE 43 0.323 4.447 -4.953 328 H ASP 44 HN ASP 44 -3.674 0.361 -3.720 329 HA ASP 44 HA ASP 44 -5.656 -0.535 -5.576 330 HB2 ASP 44 HB2 ASP 44 -4.131 -2.209 -3.552 331 HB3 ASP 44 HB1 ASP 44 -4.884 -2.775 -5.038 332 H ILE 45 HN ILE 45 -5.343 -0.759 -1.997 333 HA ILE 45 HA ILE 45 -7.771 -2.110 -1.525 334 HB ILE 45 HB ILE 45 -6.123 -0.310 0.303 335 HG12 ILE 45 HG12 ILE 45 -6.528 -3.326 0.080 336 HG13 ILE 45 HG11 ILE 45 -5.040 -2.420 -0.168 337 HG21 ILE 45 HG21 ILE 45 -8.476 -0.137 1.072 338 HG22 ILE 45 HG22 ILE 45 -7.478 -1.021 2.226 339 HG23 ILE 45 HG23 ILE 45 -8.570 -1.900 1.156 340 HD11 ILE 45 HD11 ILE 45 -5.027 -1.889 2.258 341 HD12 ILE 45 HD12 ILE 45 -4.908 -3.605 1.896 342 HD13 ILE 45 HD13 ILE 45 -6.438 -2.935 2.468 343 H GLU 46 HN GLU 46 -7.121 1.335 -1.979 344 HA GLU 46 HA GLU 46 -9.634 2.354 -1.109 345 HB2 GLU 46 HB2 GLU 46 -7.524 3.691 -1.311 346 HB3 GLU 46 HB1 GLU 46 -7.690 3.650 -3.065 347 HG2 GLU 46 HG2 GLU 46 -9.767 4.921 -2.945 348 HG3 GLU 46 HG1 GLU 46 -9.761 4.838 -1.181 349 H LEU 47 HN LEU 47 -8.454 1.141 -4.198 350 HA LEU 47 HA LEU 47 -10.604 1.777 -5.894 351 HB2 LEU 47 HB2 LEU 47 -8.850 -0.693 -5.760 352 HB3 LEU 47 HB1 LEU 47 -10.021 -0.455 -7.040 353 HG LEU 47 HG LEU 47 -7.745 1.508 -6.544 354 HD11 LEU 47 HD11 LEU 47 -6.522 0.389 -8.344 355 HD12 LEU 47 HD12 LEU 47 -7.775 -0.850 -8.462 356 HD13 LEU 47 HD13 LEU 47 -6.793 -0.721 -7.000 357 HD21 LEU 47 HD21 LEU 47 -9.659 2.356 -7.841 358 HD22 LEU 47 HD22 LEU 47 -9.518 0.984 -8.948 359 HD23 LEU 47 HD23 LEU 47 -8.223 2.183 -8.854 360 H TYR 48 HN TYR 48 -10.150 -0.842 -3.560 361 HA TYR 48 HA TYR 48 -12.727 -2.079 -4.203 362 HB2 TYR 48 HB2 TYR 48 -10.989 -3.029 -1.907 363 HB3 TYR 48 HB1 TYR 48 -12.007 -3.971 -3.004 364 HD1 TYR 48 HD1 TYR 48 -8.921 -4.221 -2.105 365 HD2 TYR 48 HD2 TYR 48 -10.888 -2.903 -5.656 366 HE1 TYR 48 HE1 TYR 48 -6.924 -4.785 -3.417 367 HE2 TYR 48 HE2 TYR 48 -8.898 -3.439 -6.975 368 HH TYR 48 HH TYR 48 -6.459 -3.739 -6.602 369 H THR 49 HN THR 49 -11.708 0.412 -2.176 370 HA THR 49 HA THR 49 -14.094 0.135 -0.419 371 HB THR 49 HB THR 49 -12.905 1.276 1.364 372 HG1 THR 49 HG1 THR 49 -11.539 2.686 0.448 373 HG21 THR 49 HG21 THR 49 -11.126 -0.905 0.228 374 HG22 THR 49 HG22 THR 49 -12.516 -1.147 1.283 375 HG23 THR 49 HG23 THR 49 -11.088 -0.311 1.887 376 H ASP 50 HN ASP 50 -14.040 1.258 -3.008 377 HA ASP 50 HA ASP 50 -13.844 4.147 -2.869 378 HB2 ASP 50 HB2 ASP 50 -13.150 2.799 -4.874 379 HB3 ASP 50 HB1 ASP 50 -14.830 2.344 -5.128 380 H GLY 51 HN GLY 51 -15.678 3.406 -0.985 381 HA2 GLY 51 HA2 GLY 51 -17.894 5.007 -1.543 382 HA3 GLY 51 HA1 GLY 51 -18.379 3.327 -1.770 383 H ARG 52 HN ARG 52 -17.105 1.968 0.148 384 HA ARG 52 HA ARG 52 -18.886 2.387 2.314 385 HB2 ARG 52 HB2 ARG 52 -16.502 0.517 2.009 386 HB3 ARG 52 HB1 ARG 52 -17.591 0.466 3.392 387 HG2 ARG 52 HG2 ARG 52 -18.440 0.034 0.509 388 HG3 ARG 52 HG1 ARG 52 -18.099 -1.257 1.663 389 HD2 ARG 52 HD2 ARG 52 -19.944 -0.499 3.090 390 HD3 ARG 52 HD1 ARG 52 -20.255 0.860 2.007 391 HE ARG 52 HE ARG 52 -20.434 -1.531 0.546 392 HH11 ARG 52 HH11 ARG 52 -23.724 -0.500 2.635 393 HH12 ARG 52 HH12 ARG 52 -22.191 0.178 3.075 394 HH21 ARG 52 HH21 ARG 52 -22.463 -2.391 -0.035 395 HH22 ARG 52 HH22 ARG 52 -23.880 -1.954 0.870 396 H VAL 53 HN VAL 53 -15.303 2.595 2.226 397 HA VAL 53 HA VAL 53 -15.296 4.749 4.181 398 HB VAL 53 HB VAL 53 -15.334 2.791 5.688 399 HG11 VAL 53 HG11 VAL 53 -14.457 1.093 4.167 400 HG12 VAL 53 HG12 VAL 53 -13.581 1.082 5.699 401 HG13 VAL 53 HG13 VAL 53 -12.847 1.814 4.269 402 HG21 VAL 53 HG21 VAL 53 -14.005 4.737 6.405 403 HG22 VAL 53 HG22 VAL 53 -12.568 4.053 5.644 404 HG23 VAL 53 HG23 VAL 53 -13.309 3.237 7.024 405 H GLU 54 HN GLU 54 -13.509 6.044 3.930 406 HA GLU 54 HA GLU 54 -11.910 5.748 1.578 407 HB2 GLU 54 HB2 GLU 54 -11.701 7.725 3.884 408 HB3 GLU 54 HB1 GLU 54 -10.794 7.847 2.375 409 HG2 GLU 54 HG2 GLU 54 -12.939 8.060 1.131 410 HG3 GLU 54 HG1 GLU 54 -13.809 7.992 2.667 411 H CYS 55 HN CYS 55 -9.825 5.086 1.376 412 HA CYS 55 HA CYS 55 -8.652 3.561 3.577 413 HB2 CYS 55 HB2 CYS 55 -8.817 2.340 1.530 414 HB3 CYS 55 HB1 CYS 55 -8.128 3.663 0.595 415 H ARG 56 HN ARG 56 -6.664 3.958 4.482 416 HA ARG 56 HA ARG 56 -5.091 6.316 3.597 417 HB2 ARG 56 HB2 ARG 56 -5.989 5.627 6.427 418 HB3 ARG 56 HB1 ARG 56 -4.514 6.547 6.168 419 HG2 ARG 56 HG2 ARG 56 -6.206 8.146 6.629 420 HG3 ARG 56 HG1 ARG 56 -5.906 8.253 4.897 421 HD2 ARG 56 HD2 ARG 56 -7.949 6.778 4.554 422 HD3 ARG 56 HD1 ARG 56 -8.277 6.933 6.275 423 HE ARG 56 HE ARG 56 -8.828 9.186 5.967 424 HH11 ARG 56 HH11 ARG 56 -8.710 8.977 1.951 425 HH12 ARG 56 HH12 ARG 56 -7.983 7.710 2.886 426 HH21 ARG 56 HH21 ARG 56 -9.839 10.775 4.733 427 HH22 ARG 56 HH22 ARG 56 -9.764 10.713 3.003 428 H GLU 57 HN GLU 57 -2.933 6.002 3.481 429 HA GLU 57 HA GLU 57 -1.682 3.571 4.624 430 HB2 GLU 57 HB2 GLU 57 0.028 3.727 2.783 431 HB3 GLU 57 HB1 GLU 57 -1.586 3.321 2.228 432 HG2 GLU 57 HG2 GLU 57 -1.943 5.572 1.406 433 HG3 GLU 57 HG1 GLU 57 -0.423 6.112 2.112 434 H LEU 58 HN LEU 58 0.619 3.795 5.056 435 HA LEU 58 HA LEU 58 1.323 6.169 6.463 436 HB2 LEU 58 HB2 LEU 58 2.873 3.673 5.705 437 HB3 LEU 58 HB1 LEU 58 3.540 4.942 6.725 438 HG LEU 58 HG LEU 58 0.928 3.616 7.518 439 HD11 LEU 58 HD11 LEU 58 2.071 1.942 8.835 440 HD12 LEU 58 HD12 LEU 58 3.638 2.460 8.199 441 HD13 LEU 58 HD13 LEU 58 2.435 1.742 7.121 442 HD21 LEU 58 HD21 LEU 58 1.654 4.218 9.781 443 HD22 LEU 58 HD22 LEU 58 1.589 5.625 8.723 444 HD23 LEU 58 HD23 LEU 58 3.148 4.900 9.132 445 H ARG 59 HN ARG 59 2.159 7.977 5.578 446 HA ARG 59 HA ARG 59 2.631 8.121 2.769 447 HB2 ARG 59 HB2 ARG 59 3.245 10.215 4.902 448 HB3 ARG 59 HB1 ARG 59 3.237 10.479 3.145 449 HG2 ARG 59 HG2 ARG 59 0.838 9.983 3.056 450 HG3 ARG 59 HG1 ARG 59 0.807 9.647 4.790 451 HD2 ARG 59 HD2 ARG 59 1.488 12.325 3.517 452 HD3 ARG 59 HD1 ARG 59 -0.058 11.911 4.258 453 HE ARG 59 HE ARG 59 1.093 11.731 6.402 454 HH11 ARG 59 HH11 ARG 59 3.830 14.338 4.988 455 HH12 ARG 59 HH12 ARG 59 2.834 13.458 3.874 456 HH21 ARG 59 HH21 ARG 59 3.621 13.990 7.236 457 HH22 ARG 59 HH22 ARG 59 2.469 12.851 7.854 458 HA PRO 60 HA PRO 60 6.762 6.891 2.251 459 HB2 PRO 60 HB2 PRO 60 7.790 8.704 0.404 460 HB3 PRO 60 HB1 PRO 60 6.654 7.402 0.005 461 HG2 PRO 60 HG2 PRO 60 6.086 10.298 0.507 462 HG3 PRO 60 HG1 PRO 60 5.444 9.213 -0.733 463 HD2 PRO 60 HD2 PRO 60 4.003 9.844 1.478 464 HD3 PRO 60 HD1 PRO 60 3.894 8.232 0.708 465 H ASP 61 HN ASP 61 8.203 7.007 3.676 466 HA ASP 61 HA ASP 61 9.036 9.498 5.020 467 HB2 ASP 61 HB2 ASP 61 7.873 7.878 6.464 468 HB3 ASP 61 HB1 ASP 61 8.983 6.602 5.992 469 H VAL 62 HN VAL 62 10.615 6.261 4.798 470 HA VAL 62 HA VAL 62 13.235 7.366 4.451 471 HB VAL 62 HB VAL 62 12.277 4.486 4.037 472 HG11 VAL 62 HG11 VAL 62 15.120 5.532 4.348 473 HG12 VAL 62 HG12 VAL 62 14.412 4.880 2.867 474 HG13 VAL 62 HG13 VAL 62 14.652 3.831 4.265 475 HG21 VAL 62 HG21 VAL 62 13.604 5.770 6.463 476 HG22 VAL 62 HG22 VAL 62 13.161 4.067 6.307 477 HG23 VAL 62 HG23 VAL 62 11.904 5.306 6.343 478 H PHE 63 HN PHE 63 10.770 6.128 2.292 479 HA PHE 63 HA PHE 63 12.428 6.578 -0.105 480 HB2 PHE 63 HB2 PHE 63 11.157 4.378 0.247 481 HB3 PHE 63 HB1 PHE 63 9.661 5.286 0.101 482 HD1 PHE 63 HD1 PHE 63 12.758 4.311 -1.746 483 HD2 PHE 63 HD2 PHE 63 8.743 5.755 -2.073 484 HE1 PHE 63 HE1 PHE 63 12.819 3.966 -4.183 485 HE2 PHE 63 HE2 PHE 63 8.816 5.414 -4.503 486 HZ PHE 63 HZ PHE 63 10.852 4.518 -5.561 487 H GLY 64 HN GLY 64 11.963 8.907 1.055 488 HA2 GLY 64 HA2 GLY 64 9.523 10.234 0.194 489 HA3 GLY 64 HA1 GLY 64 10.931 10.978 0.941 490 H ALA 65 HN ALA 65 9.899 9.461 -2.095 491 HA ALA 65 HA ALA 65 12.077 10.389 -3.684 492 HB1 ALA 65 HB1 ALA 65 9.399 9.211 -4.509 493 HB2 ALA 65 HB2 ALA 65 10.875 8.303 -4.180 494 HB3 ALA 65 HB3 ALA 65 10.809 9.401 -5.560 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -14.770 -2.411 12.040 2 H2 MET 1 HT2 MET 1 -14.038 -0.914 12.317 3 H3 MET 1 HT3 MET 1 -13.085 -2.263 11.965 4 HA MET 1 HA MET 1 -14.020 -2.415 9.759 5 HB2 MET 1 HB2 MET 1 -15.530 0.122 10.552 6 HB3 MET 1 HB1 MET 1 -15.442 -0.508 8.912 7 HG2 MET 1 HG2 MET 1 -17.569 -1.083 9.897 8 HG3 MET 1 HG1 MET 1 -16.619 -2.554 9.662 9 HE1 MET 1 HE1 MET 1 -19.208 -2.442 11.485 10 HE2 MET 1 HE2 MET 1 -18.699 -3.282 12.947 11 HE3 MET 1 HE3 MET 1 -18.251 -3.919 11.363 12 H ASN 2 HN ASN 2 -12.416 -1.870 8.456 13 HA ASN 2 HA ASN 2 -11.323 0.837 8.296 14 HB2 ASN 2 HB2 ASN 2 -8.940 -0.050 8.308 15 HB3 ASN 2 HB1 ASN 2 -9.733 -0.050 9.873 16 HD21 ASN 2 HD21 ASN 2 -10.146 -2.023 10.867 17 HD22 ASN 2 HD22 ASN 2 -9.469 -3.503 10.297 18 H ALA 3 HN ALA 3 -10.010 1.081 6.373 19 HA ALA 3 HA ALA 3 -11.104 0.385 4.018 20 HB1 ALA 3 HB1 ALA 3 -9.387 2.106 4.313 21 HB2 ALA 3 HB2 ALA 3 -9.005 1.054 2.951 22 HB3 ALA 3 HB3 ALA 3 -8.148 0.858 4.484 23 H ILE 4 HN ILE 4 -8.594 -1.473 5.671 24 HA ILE 4 HA ILE 4 -7.963 -3.225 3.495 25 HB ILE 4 HB ILE 4 -7.392 -3.710 6.451 26 HG12 ILE 4 HG12 ILE 4 -5.031 -2.763 5.826 27 HG13 ILE 4 HG11 ILE 4 -5.838 -2.008 4.463 28 HG21 ILE 4 HG21 ILE 4 -5.530 -5.114 5.660 29 HG22 ILE 4 HG22 ILE 4 -5.990 -4.794 3.987 30 HG23 ILE 4 HG23 ILE 4 -7.077 -5.696 5.046 31 HD11 ILE 4 HD11 ILE 4 -6.366 -1.499 7.395 32 HD12 ILE 4 HD12 ILE 4 -7.276 -0.761 6.074 33 HD13 ILE 4 HD13 ILE 4 -5.552 -0.428 6.255 34 H ASP 5 HN ASP 5 -9.794 -3.486 6.506 35 HA ASP 5 HA ASP 5 -10.851 -6.048 6.393 36 HB2 ASP 5 HB2 ASP 5 -11.072 -4.713 8.396 37 HB3 ASP 5 HB1 ASP 5 -11.964 -3.457 7.548 38 H ILE 6 HN ILE 6 -12.128 -3.039 5.012 39 HA ILE 6 HA ILE 6 -14.587 -4.116 4.069 40 HB ILE 6 HB ILE 6 -13.111 -1.566 3.264 41 HG12 ILE 6 HG12 ILE 6 -13.760 -1.559 5.624 42 HG13 ILE 6 HG11 ILE 6 -14.773 -0.430 4.741 43 HG21 ILE 6 HG21 ILE 6 -14.646 -2.174 1.449 44 HG22 ILE 6 HG22 ILE 6 -15.260 -0.768 2.311 45 HG23 ILE 6 HG23 ILE 6 -15.981 -2.354 2.592 46 HD11 ILE 6 HD11 ILE 6 -16.059 -1.641 6.394 47 HD12 ILE 6 HD12 ILE 6 -15.579 -3.183 5.688 48 HD13 ILE 6 HD13 ILE 6 -16.604 -2.074 4.774 49 H ALA 7 HN ALA 7 -11.407 -3.614 2.567 50 HA ALA 7 HA ALA 7 -12.091 -4.342 -0.084 51 HB1 ALA 7 HB1 ALA 7 -9.396 -4.617 1.280 52 HB2 ALA 7 HB2 ALA 7 -10.003 -3.162 0.487 53 HB3 ALA 7 HB3 ALA 7 -9.695 -4.622 -0.462 54 H ILE 8 HN ILE 8 -11.236 -6.237 2.737 55 HA ILE 8 HA ILE 8 -10.935 -8.809 1.548 56 HB ILE 8 HB ILE 8 -11.807 -8.005 4.366 57 HG12 ILE 8 HG12 ILE 8 -9.075 -8.961 3.405 58 HG13 ILE 8 HG11 ILE 8 -9.509 -7.267 3.560 59 HG21 ILE 8 HG21 ILE 8 -11.209 -10.306 5.073 60 HG22 ILE 8 HG22 ILE 8 -10.933 -10.752 3.387 61 HG23 ILE 8 HG23 ILE 8 -12.550 -10.302 3.929 62 HD11 ILE 8 HD11 ILE 8 -9.342 -9.275 5.785 63 HD12 ILE 8 HD12 ILE 8 -9.837 -7.589 5.962 64 HD13 ILE 8 HD13 ILE 8 -8.203 -7.979 5.427 65 H ASN 9 HN ASN 9 -13.715 -7.204 3.128 66 HA ASN 9 HA ASN 9 -15.637 -9.233 2.602 67 HB2 ASN 9 HB2 ASN 9 -15.998 -6.258 3.167 68 HB3 ASN 9 HB1 ASN 9 -17.343 -7.384 3.049 69 HD21 ASN 9 HD21 ASN 9 -14.836 -6.170 5.075 70 HD22 ASN 9 HD22 ASN 9 -15.192 -7.120 6.468 71 H LYS 10 HN LYS 10 -14.358 -6.621 0.668 72 HA LYS 10 HA LYS 10 -16.530 -6.467 -1.206 73 HB2 LYS 10 HB2 LYS 10 -14.630 -4.673 -0.533 74 HB3 LYS 10 HB1 LYS 10 -13.790 -5.354 -1.914 75 HG2 LYS 10 HG2 LYS 10 -16.604 -4.674 -2.551 76 HG3 LYS 10 HG1 LYS 10 -15.710 -3.291 -1.941 77 HD2 LYS 10 HD2 LYS 10 -15.497 -3.227 -4.307 78 HD3 LYS 10 HD1 LYS 10 -13.938 -3.770 -3.688 79 HE2 LYS 10 HE2 LYS 10 -14.494 -6.080 -4.273 80 HE3 LYS 10 HE1 LYS 10 -16.090 -5.575 -4.832 81 HZ1 LYS 10 HZ1 LYS 10 -15.079 -4.310 -6.579 82 HZ2 LYS 10 HZ2 LYS 10 -14.468 -5.887 -6.630 83 HZ3 LYS 10 HZ3 LYS 10 -13.523 -4.635 -5.998 84 H LEU 11 HN LEU 11 -13.243 -7.875 -1.271 85 HA LEU 11 HA LEU 11 -13.658 -9.065 -3.897 86 HB2 LEU 11 HB2 LEU 11 -11.361 -9.565 -1.968 87 HB3 LEU 11 HB1 LEU 11 -11.427 -10.029 -3.658 88 HG LEU 11 HG LEU 11 -10.992 -7.280 -2.471 89 HD11 LEU 11 HD11 LEU 11 -9.055 -7.246 -3.983 90 HD12 LEU 11 HD12 LEU 11 -9.496 -8.841 -4.597 91 HD13 LEU 11 HD13 LEU 11 -9.017 -8.644 -2.911 92 HD21 LEU 11 HD21 LEU 11 -12.764 -6.932 -4.130 93 HD22 LEU 11 HD22 LEU 11 -11.793 -7.749 -5.359 94 HD23 LEU 11 HD23 LEU 11 -11.239 -6.224 -4.654 95 H GLY 12 HN GLY 12 -14.270 -9.928 -0.635 96 HA2 GLY 12 HA2 GLY 12 -15.718 -11.734 -0.083 97 HA3 GLY 12 HA1 GLY 12 -15.100 -12.646 -1.453 98 H SER 13 HN SER 13 -12.262 -11.924 -0.728 99 HA SER 13 HA SER 13 -11.808 -13.407 1.745 100 HB2 SER 13 HB2 SER 13 -10.458 -15.176 0.612 101 HB3 SER 13 HB1 SER 13 -12.145 -15.216 0.118 102 HG SER 13 HG SER 13 -11.555 -14.075 -1.778 103 H VAL 14 HN VAL 14 -9.619 -13.534 2.372 104 HA VAL 14 HA VAL 14 -7.980 -11.245 1.696 105 HB VAL 14 HB VAL 14 -7.711 -13.524 3.707 106 HG11 VAL 14 HG11 VAL 14 -5.703 -12.401 4.634 107 HG12 VAL 14 HG12 VAL 14 -5.693 -11.297 3.259 108 HG13 VAL 14 HG13 VAL 14 -5.420 -13.019 3.008 109 HG21 VAL 14 HG21 VAL 14 -9.319 -11.777 4.261 110 HG22 VAL 14 HG22 VAL 14 -8.085 -10.531 4.013 111 HG23 VAL 14 HG23 VAL 14 -7.931 -11.686 5.348 112 H SER 15 HN SER 15 -8.073 -14.659 0.891 113 HA SER 15 HA SER 15 -5.418 -14.988 0.014 114 HB2 SER 15 HB2 SER 15 -6.449 -16.927 -1.339 115 HB3 SER 15 HB1 SER 15 -6.689 -16.957 0.410 116 HG SER 15 HG SER 15 -8.556 -17.187 -1.305 117 H ALA 16 HN ALA 16 -8.361 -13.991 -1.724 118 HA ALA 16 HA ALA 16 -7.113 -13.473 -4.245 119 HB1 ALA 16 HB1 ALA 16 -9.183 -12.245 -4.782 120 HB2 ALA 16 HB2 ALA 16 -9.679 -12.321 -3.089 121 HB3 ALA 16 HB3 ALA 16 -9.541 -13.803 -4.035 122 H LEU 17 HN LEU 17 -7.844 -11.446 -1.399 123 HA LEU 17 HA LEU 17 -7.178 -8.940 -2.504 124 HB2 LEU 17 HB2 LEU 17 -8.503 -9.224 -0.419 125 HB3 LEU 17 HB1 LEU 17 -7.063 -9.795 0.417 126 HG LEU 17 HG LEU 17 -5.992 -7.595 0.092 127 HD11 LEU 17 HD11 LEU 17 -7.080 -6.854 -1.965 128 HD12 LEU 17 HD12 LEU 17 -7.270 -5.647 -0.700 129 HD13 LEU 17 HD13 LEU 17 -8.625 -6.698 -1.122 130 HD21 LEU 17 HD21 LEU 17 -8.681 -7.361 1.438 131 HD22 LEU 17 HD22 LEU 17 -7.277 -6.321 1.700 132 HD23 LEU 17 HD23 LEU 17 -7.206 -8.023 2.148 133 H ALA 18 HN ALA 18 -5.232 -11.226 -0.674 134 HA ALA 18 HA ALA 18 -2.901 -9.633 -0.379 135 HB1 ALA 18 HB1 ALA 18 -3.475 -11.476 1.154 136 HB2 ALA 18 HB2 ALA 18 -1.868 -11.695 0.460 137 HB3 ALA 18 HB3 ALA 18 -3.228 -12.647 -0.146 138 H ALA 19 HN ALA 19 -3.950 -12.111 -2.685 139 HA ALA 19 HA ALA 19 -1.564 -12.300 -4.220 140 HB1 ALA 19 HB1 ALA 19 -3.005 -13.327 -5.937 141 HB2 ALA 19 HB2 ALA 19 -4.443 -12.786 -5.065 142 HB3 ALA 19 HB3 ALA 19 -3.360 -13.971 -4.333 143 H ALA 20 HN ALA 20 -4.312 -10.095 -4.282 144 HA ALA 20 HA ALA 20 -3.638 -8.743 -6.741 145 HB1 ALA 20 HB1 ALA 20 -5.965 -8.868 -5.952 146 HB2 ALA 20 HB2 ALA 20 -5.455 -7.187 -6.111 147 HB3 ALA 20 HB3 ALA 20 -5.544 -7.937 -4.513 148 H LEU 21 HN LEU 21 -2.848 -8.374 -3.368 149 HA LEU 21 HA LEU 21 -1.678 -5.692 -3.716 150 HB2 LEU 21 HB2 LEU 21 -2.247 -7.341 -1.226 151 HB3 LEU 21 HB1 LEU 21 -1.522 -5.738 -1.208 152 HG LEU 21 HG LEU 21 -4.321 -6.393 -2.209 153 HD11 LEU 21 HD11 LEU 21 -3.426 -5.057 0.349 154 HD12 LEU 21 HD12 LEU 21 -4.279 -6.595 0.165 155 HD13 LEU 21 HD13 LEU 21 -5.094 -5.087 -0.242 156 HD21 LEU 21 HD21 LEU 21 -3.386 -4.528 -3.450 157 HD22 LEU 21 HD22 LEU 21 -2.961 -3.705 -1.948 158 HD23 LEU 21 HD23 LEU 21 -4.657 -3.968 -2.367 159 H GLY 22 HN GLY 22 -0.678 -8.861 -3.926 160 HA2 GLY 22 HA2 GLY 22 1.409 -9.745 -4.359 161 HA3 GLY 22 HA1 GLY 22 2.047 -8.108 -4.323 162 H VAL 23 HN VAL 23 0.356 -9.690 -1.674 163 HA VAL 23 HA VAL 23 2.809 -9.939 -0.051 164 HB VAL 23 HB VAL 23 1.624 -8.966 1.910 165 HG11 VAL 23 HG11 VAL 23 3.015 -7.447 0.567 166 HG12 VAL 23 HG12 VAL 23 1.639 -6.590 1.263 167 HG13 VAL 23 HG13 VAL 23 1.624 -7.040 -0.445 168 HG21 VAL 23 HG21 VAL 23 -0.656 -8.337 -0.016 169 HG22 VAL 23 HG22 VAL 23 -0.548 -7.781 1.655 170 HG23 VAL 23 HG23 VAL 23 -0.705 -9.501 1.312 171 H ASN 24 HN ASN 24 2.155 -11.106 2.108 172 HA ASN 24 HA ASN 24 0.748 -13.569 1.574 173 HB2 ASN 24 HB2 ASN 24 2.207 -12.430 3.979 174 HB3 ASN 24 HB1 ASN 24 1.206 -13.863 4.164 175 HD21 ASN 24 HD21 ASN 24 1.913 -15.800 3.375 176 HD22 ASN 24 HD22 ASN 24 3.493 -16.045 2.714 177 H GLN 25 HN GLN 25 -0.803 -14.371 3.162 178 HA GLN 25 HA GLN 25 -3.112 -12.656 3.418 179 HB2 GLN 25 HB2 GLN 25 -2.646 -15.581 4.219 180 HB3 GLN 25 HB1 GLN 25 -4.190 -14.756 4.386 181 HG2 GLN 25 HG2 GLN 25 -4.230 -16.119 2.388 182 HG3 GLN 25 HG1 GLN 25 -4.281 -14.417 1.931 183 HE21 GLN 25 HE21 GLN 25 -3.404 -14.574 -0.103 184 HE22 GLN 25 HE22 GLN 25 -1.799 -15.122 -0.426 185 H SER 26 HN SER 26 -0.540 -13.850 5.420 186 HA SER 26 HA SER 26 -1.543 -13.082 7.988 187 HB2 SER 26 HB2 SER 26 1.337 -13.470 7.051 188 HB3 SER 26 HB1 SER 26 0.793 -13.427 8.730 189 HG SER 26 HG SER 26 -0.333 -15.324 8.394 190 H ALA 27 HN ALA 27 0.233 -11.447 5.416 191 HA ALA 27 HA ALA 27 0.964 -9.078 6.813 192 HB1 ALA 27 HB1 ALA 27 2.020 -9.703 4.679 193 HB2 ALA 27 HB2 ALA 27 1.332 -8.083 4.588 194 HB3 ALA 27 HB3 ALA 27 0.495 -9.440 3.829 195 H ILE 28 HN ILE 28 -1.831 -9.937 4.806 196 HA ILE 28 HA ILE 28 -3.235 -7.472 4.971 197 HB ILE 28 HB ILE 28 -4.396 -10.274 4.617 198 HG12 ILE 28 HG12 ILE 28 -2.659 -9.756 2.912 199 HG13 ILE 28 HG11 ILE 28 -4.264 -9.908 2.207 200 HG21 ILE 28 HG21 ILE 28 -5.580 -7.571 3.886 201 HG22 ILE 28 HG22 ILE 28 -6.136 -8.641 5.178 202 HG23 ILE 28 HG23 ILE 28 -6.283 -9.143 3.496 203 HD11 ILE 28 HD11 ILE 28 -4.436 -7.468 2.103 204 HD12 ILE 28 HD12 ILE 28 -3.052 -8.088 1.207 205 HD13 ILE 28 HD13 ILE 28 -2.812 -7.336 2.783 206 H SER 29 HN SER 29 -3.354 -10.443 6.912 207 HA SER 29 HA SER 29 -5.417 -9.832 8.693 208 HB2 SER 29 HB2 SER 29 -4.392 -12.073 8.508 209 HB3 SER 29 HB1 SER 29 -2.892 -11.465 9.211 210 HG SER 29 HG SER 29 -4.281 -12.529 10.733 211 H GLN 30 HN GLN 30 -1.975 -9.053 8.798 212 HA GLN 30 HA GLN 30 -1.907 -7.742 11.309 213 HB2 GLN 30 HB2 GLN 30 0.142 -8.563 10.174 214 HB3 GLN 30 HB1 GLN 30 -0.096 -7.394 8.876 215 HG2 GLN 30 HG2 GLN 30 0.206 -5.547 10.514 216 HG3 GLN 30 HG1 GLN 30 0.490 -6.742 11.784 217 HE21 GLN 30 HE21 GLN 30 2.586 -5.963 12.186 218 HE22 GLN 30 HE22 GLN 30 3.898 -6.206 11.091 219 H TRP 31 HN TRP 31 -2.235 -6.515 7.956 220 HA TRP 31 HA TRP 31 -2.329 -3.756 8.556 221 HB2 TRP 31 HB2 TRP 31 -3.478 -5.251 6.168 222 HB3 TRP 31 HB1 TRP 31 -3.341 -3.500 6.273 223 HD1 TRP 31 HD1 TRP 31 -0.183 -4.265 7.694 224 HE1 TRP 31 HE1 TRP 31 1.668 -4.460 5.917 225 HE3 TRP 31 HE3 TRP 31 -3.077 -4.853 3.502 226 HZ2 TRP 31 HZ2 TRP 31 1.881 -4.812 3.129 227 HZ3 TRP 31 HZ3 TRP 31 -1.974 -5.092 1.330 228 HH2 TRP 31 HH2 TRP 31 0.453 -5.073 1.143 229 H ARG 32 HN ARG 32 -4.795 -6.204 8.558 230 HA ARG 32 HA ARG 32 -7.106 -4.514 8.486 231 HB2 ARG 32 HB2 ARG 32 -7.001 -6.977 7.827 232 HB3 ARG 32 HB1 ARG 32 -6.864 -7.376 9.532 233 HG2 ARG 32 HG2 ARG 32 -9.090 -6.244 9.873 234 HG3 ARG 32 HG1 ARG 32 -9.217 -6.101 8.119 235 HD2 ARG 32 HD2 ARG 32 -8.851 -8.664 8.062 236 HD3 ARG 32 HD1 ARG 32 -9.170 -8.622 9.799 237 HE ARG 32 HE ARG 32 -11.286 -7.321 8.822 238 HH11 ARG 32 HH11 ARG 32 -11.388 -11.057 7.316 239 HH12 ARG 32 HH12 ARG 32 -9.882 -10.388 7.853 240 HH21 ARG 32 HH21 ARG 32 -13.282 -8.197 8.091 241 HH22 ARG 32 HH22 ARG 32 -13.319 -9.813 7.452 242 H ALA 33 HN ALA 33 -5.231 -6.171 10.982 243 HA ALA 33 HA ALA 33 -6.769 -5.181 13.202 244 HB1 ALA 33 HB1 ALA 33 -5.616 -7.345 13.316 245 HB2 ALA 33 HB2 ALA 33 -5.024 -6.266 14.579 246 HB3 ALA 33 HB3 ALA 33 -4.054 -6.543 13.130 247 H ARG 34 HN ARG 34 -4.129 -4.036 11.311 248 HA ARG 34 HA ARG 34 -3.017 -2.108 13.152 249 HB2 ARG 34 HB2 ARG 34 -1.716 -3.215 11.342 250 HB3 ARG 34 HB1 ARG 34 -2.775 -2.510 10.131 251 HG2 ARG 34 HG2 ARG 34 -0.827 -1.244 10.044 252 HG3 ARG 34 HG1 ARG 34 -1.947 -0.235 10.945 253 HD2 ARG 34 HD2 ARG 34 -0.840 -0.669 13.006 254 HD3 ARG 34 HD1 ARG 34 0.055 -2.035 12.332 255 HE ARG 34 HE ARG 34 0.964 -0.034 10.818 256 HH11 ARG 34 HH11 ARG 34 0.687 -0.242 14.319 257 HH12 ARG 34 HH12 ARG 34 2.030 0.815 14.596 258 HH21 ARG 34 HH21 ARG 34 2.731 1.307 11.196 259 HH22 ARG 34 HH22 ARG 34 3.201 1.698 12.816 260 H GLY 35 HN GLY 35 -5.401 -2.223 10.603 261 HA2 GLY 35 HA2 GLY 35 -7.137 -0.845 10.020 262 HA3 GLY 35 HA1 GLY 35 -6.688 0.245 11.323 263 H ARG 36 HN ARG 36 -4.110 -0.542 9.248 264 HA ARG 36 HA ARG 36 -4.452 1.544 7.284 265 HB2 ARG 36 HB2 ARG 36 -3.785 2.864 9.319 266 HB3 ARG 36 HB1 ARG 36 -2.316 1.915 9.448 267 HG2 ARG 36 HG2 ARG 36 -1.491 2.812 7.348 268 HG3 ARG 36 HG1 ARG 36 -3.016 3.656 7.063 269 HD2 ARG 36 HD2 ARG 36 -1.123 4.216 9.371 270 HD3 ARG 36 HD1 ARG 36 -1.209 5.153 7.880 271 HE ARG 36 HE ARG 36 -3.368 4.960 9.902 272 HH11 ARG 36 HH11 ARG 36 -1.782 6.761 7.318 273 HH12 ARG 36 HH12 ARG 36 -2.778 8.162 7.532 274 HH21 ARG 36 HH21 ARG 36 -4.671 6.795 10.145 275 HH22 ARG 36 HH22 ARG 36 -4.415 8.180 9.133 276 H VAL 37 HN VAL 37 -3.065 1.238 5.564 277 HA VAL 37 HA VAL 37 -1.293 -1.111 5.594 278 HB VAL 37 HB VAL 37 -1.152 -0.780 3.115 279 HG11 VAL 37 HG11 VAL 37 -2.863 -2.255 4.048 280 HG12 VAL 37 HG12 VAL 37 -3.444 -1.458 2.586 281 HG13 VAL 37 HG13 VAL 37 -3.990 -0.900 4.170 282 HG21 VAL 37 HG21 VAL 37 -3.131 1.497 3.548 283 HG22 VAL 37 HG22 VAL 37 -2.647 0.840 1.983 284 HG23 VAL 37 HG23 VAL 37 -1.463 1.661 2.997 285 HA PRO 38 HA PRO 38 2.629 1.323 5.176 286 HB2 PRO 38 HB2 PRO 38 3.104 -0.707 2.961 287 HB3 PRO 38 HB1 PRO 38 4.191 -0.183 4.267 288 HG2 PRO 38 HG2 PRO 38 3.002 -2.520 4.451 289 HG3 PRO 38 HG1 PRO 38 3.099 -1.466 5.886 290 HD2 PRO 38 HD2 PRO 38 0.753 -1.946 4.052 291 HD3 PRO 38 HD1 PRO 38 0.795 -1.825 5.825 292 H ALA 39 HN ALA 39 3.802 2.427 3.366 293 HA ALA 39 HA ALA 39 2.062 4.138 2.009 294 HB1 ALA 39 HB1 ALA 39 4.318 4.780 2.697 295 HB2 ALA 39 HB2 ALA 39 4.089 5.073 0.974 296 HB3 ALA 39 HB3 ALA 39 5.024 3.676 1.511 297 H GLY 40 HN GLY 40 1.384 4.271 -0.156 298 HA2 GLY 40 HA2 GLY 40 1.440 3.924 -2.468 299 HA3 GLY 40 HA1 GLY 40 2.551 2.585 -2.247 300 H ARG 41 HN ARG 41 0.827 1.232 -0.268 301 HA ARG 41 HA ARG 41 -0.490 -0.413 -2.225 302 HB2 ARG 41 HB2 ARG 41 0.824 -1.191 -0.146 303 HB3 ARG 41 HB1 ARG 41 -0.594 -0.763 0.800 304 HG2 ARG 41 HG2 ARG 41 -0.777 -3.078 0.451 305 HG3 ARG 41 HG1 ARG 41 -1.909 -2.382 -0.703 306 HD2 ARG 41 HD2 ARG 41 0.912 -3.273 -1.401 307 HD3 ARG 41 HD1 ARG 41 -0.519 -4.280 -1.590 308 HE ARG 41 HE ARG 41 -1.052 -1.954 -3.034 309 HH11 ARG 41 HH11 ARG 41 1.561 -4.433 -4.870 310 HH12 ARG 41 HH12 ARG 41 1.317 -4.575 -3.161 311 HH21 ARG 41 HH21 ARG 41 -0.642 -1.779 -5.310 312 HH22 ARG 41 HH22 ARG 41 0.470 -2.871 -6.068 313 H CYS 42 HN CYS 42 -1.532 2.153 -0.234 314 HA CYS 42 HA CYS 42 -4.205 1.503 0.342 315 HB2 CYS 42 HB2 CYS 42 -3.119 3.403 1.377 316 HB3 CYS 42 HB1 CYS 42 -2.954 4.214 -0.179 317 H ILE 43 HN ILE 43 -2.699 2.699 -2.570 318 HA ILE 43 HA ILE 43 -4.743 3.811 -4.061 319 HB ILE 43 HB ILE 43 -2.365 2.097 -4.927 320 HG12 ILE 43 HG12 ILE 43 -2.719 5.139 -4.896 321 HG13 ILE 43 HG11 ILE 43 -1.829 4.216 -3.692 322 HG21 ILE 43 HG21 ILE 43 -4.109 3.836 -6.712 323 HG22 ILE 43 HG22 ILE 43 -3.995 2.075 -6.755 324 HG23 ILE 43 HG23 ILE 43 -2.600 3.053 -7.199 325 HD11 ILE 43 HD11 ILE 43 -0.324 5.289 -5.231 326 HD12 ILE 43 HD12 ILE 43 -1.114 4.517 -6.603 327 HD13 ILE 43 HD13 ILE 43 -0.226 3.538 -5.431 328 H ASP 44 HN ASP 44 -3.854 0.392 -3.750 329 HA ASP 44 HA ASP 44 -5.753 -0.554 -5.712 330 HB2 ASP 44 HB2 ASP 44 -4.270 -2.266 -3.689 331 HB3 ASP 44 HB1 ASP 44 -4.836 -2.727 -5.289 332 H ILE 45 HN ILE 45 -5.453 -0.706 -2.161 333 HA ILE 45 HA ILE 45 -7.926 -2.016 -1.672 334 HB ILE 45 HB ILE 45 -6.163 -0.308 0.132 335 HG12 ILE 45 HG12 ILE 45 -6.644 -3.309 -0.173 336 HG13 ILE 45 HG11 ILE 45 -5.136 -2.432 -0.399 337 HG21 ILE 45 HG21 ILE 45 -8.633 -1.852 0.992 338 HG22 ILE 45 HG22 ILE 45 -8.485 -0.094 0.953 339 HG23 ILE 45 HG23 ILE 45 -7.495 -1.033 2.068 340 HD11 ILE 45 HD11 ILE 45 -5.124 -1.975 2.058 341 HD12 ILE 45 HD12 ILE 45 -5.006 -3.678 1.627 342 HD13 ILE 45 HD13 ILE 45 -6.536 -3.025 2.213 343 H GLU 46 HN GLU 46 -7.171 1.289 -2.427 344 HA GLU 46 HA GLU 46 -9.566 2.549 -1.490 345 HB2 GLU 46 HB2 GLU 46 -7.445 3.790 -1.904 346 HB3 GLU 46 HB1 GLU 46 -7.596 3.479 -3.631 347 HG2 GLU 46 HG2 GLU 46 -9.684 4.791 -3.670 348 HG3 GLU 46 HG1 GLU 46 -9.514 5.106 -1.941 349 H LEU 47 HN LEU 47 -8.551 1.040 -4.521 350 HA LEU 47 HA LEU 47 -10.791 1.509 -6.155 351 HB2 LEU 47 HB2 LEU 47 -8.938 -0.889 -5.899 352 HB3 LEU 47 HB1 LEU 47 -10.195 -0.832 -7.115 353 HG LEU 47 HG LEU 47 -8.120 1.381 -7.004 354 HD11 LEU 47 HD11 LEU 47 -7.740 -1.270 -8.455 355 HD12 LEU 47 HD12 LEU 47 -6.813 -0.708 -7.065 356 HD13 LEU 47 HD13 LEU 47 -6.702 0.154 -8.595 357 HD21 LEU 47 HD21 LEU 47 -9.769 0.173 -9.250 358 HD22 LEU 47 HD22 LEU 47 -8.646 1.532 -9.411 359 HD23 LEU 47 HD23 LEU 47 -10.095 1.702 -8.424 360 H TYR 48 HN TYR 48 -10.206 -0.905 -3.621 361 HA TYR 48 HA TYR 48 -12.825 -2.164 -4.011 362 HB2 TYR 48 HB2 TYR 48 -10.917 -2.868 -1.763 363 HB3 TYR 48 HB1 TYR 48 -12.094 -3.907 -2.579 364 HD1 TYR 48 HD1 TYR 48 -8.909 -4.153 -2.045 365 HD2 TYR 48 HD2 TYR 48 -11.284 -3.258 -5.487 366 HE1 TYR 48 HE1 TYR 48 -7.102 -4.939 -3.504 367 HE2 TYR 48 HE2 TYR 48 -9.468 -4.028 -6.943 368 HH TYR 48 HH TYR 48 -7.059 -4.390 -6.867 369 H THR 49 HN THR 49 -11.625 0.423 -2.164 370 HA THR 49 HA THR 49 -14.058 0.417 -0.442 371 HB THR 49 HB THR 49 -12.832 1.891 1.134 372 HG1 THR 49 HG1 THR 49 -10.354 1.426 -0.069 373 HG21 THR 49 HG21 THR 49 -12.675 -0.539 1.499 374 HG22 THR 49 HG22 THR 49 -11.196 0.276 2.003 375 HG23 THR 49 HG23 THR 49 -11.236 -0.608 0.478 376 H ASP 50 HN ASP 50 -14.126 1.104 -3.078 377 HA ASP 50 HA ASP 50 -13.633 3.395 -4.292 378 HB2 ASP 50 HB2 ASP 50 -15.042 1.613 -5.230 379 HB3 ASP 50 HB1 ASP 50 -16.360 2.054 -4.158 380 H GLY 51 HN GLY 51 -16.480 3.154 -2.172 381 HA2 GLY 51 HA2 GLY 51 -16.080 5.863 -1.134 382 HA3 GLY 51 HA1 GLY 51 -17.583 5.585 -2.019 383 H ARG 52 HN ARG 52 -15.913 3.214 -0.020 384 HA ARG 52 HA ARG 52 -18.291 2.871 1.671 385 HB2 ARG 52 HB2 ARG 52 -15.689 1.282 1.509 386 HB3 ARG 52 HB1 ARG 52 -17.079 0.842 2.494 387 HG2 ARG 52 HG2 ARG 52 -17.081 1.007 -0.536 388 HG3 ARG 52 HG1 ARG 52 -16.908 -0.478 0.404 389 HD2 ARG 52 HD2 ARG 52 -19.324 1.365 0.435 390 HD3 ARG 52 HD1 ARG 52 -19.213 -0.177 -0.412 391 HE ARG 52 HE ARG 52 -18.877 -0.095 2.516 392 HH11 ARG 52 HH11 ARG 52 -20.765 -1.163 -0.250 393 HH12 ARG 52 HH12 ARG 52 -21.745 -2.243 0.684 394 HH21 ARG 52 HH21 ARG 52 -20.201 -1.492 3.745 395 HH22 ARG 52 HH22 ARG 52 -21.423 -2.430 2.953 396 H VAL 53 HN VAL 53 -14.798 3.252 2.066 397 HA VAL 53 HA VAL 53 -15.040 5.040 4.336 398 HB VAL 53 HB VAL 53 -15.031 2.798 5.457 399 HG11 VAL 53 HG11 VAL 53 -13.896 1.474 3.747 400 HG12 VAL 53 HG12 VAL 53 -13.102 1.279 5.308 401 HG13 VAL 53 HG13 VAL 53 -12.375 2.310 4.073 402 HG21 VAL 53 HG21 VAL 53 -13.952 4.680 6.630 403 HG22 VAL 53 HG22 VAL 53 -12.409 4.295 5.866 404 HG23 VAL 53 HG23 VAL 53 -13.136 3.162 7.008 405 H GLU 54 HN GLU 54 -13.110 6.288 4.564 406 HA GLU 54 HA GLU 54 -11.519 6.615 2.240 407 HB2 GLU 54 HB2 GLU 54 -10.826 7.622 5.035 408 HB3 GLU 54 HB1 GLU 54 -10.197 8.224 3.509 409 HG2 GLU 54 HG2 GLU 54 -11.742 9.865 4.082 410 HG3 GLU 54 HG1 GLU 54 -12.673 8.851 2.983 411 H CYS 55 HN CYS 55 -9.736 5.538 1.630 412 HA CYS 55 HA CYS 55 -8.509 3.550 3.352 413 HB2 CYS 55 HB2 CYS 55 -8.790 2.904 1.064 414 HB3 CYS 55 HB1 CYS 55 -8.052 4.392 0.479 415 H ARG 56 HN ARG 56 -6.783 3.922 4.608 416 HA ARG 56 HA ARG 56 -5.134 6.339 4.117 417 HB2 ARG 56 HB2 ARG 56 -5.568 4.986 6.817 418 HB3 ARG 56 HB1 ARG 56 -4.614 6.428 6.506 419 HG2 ARG 56 HG2 ARG 56 -6.531 7.403 7.337 420 HG3 ARG 56 HG1 ARG 56 -6.923 7.401 5.618 421 HD2 ARG 56 HD2 ARG 56 -8.181 5.259 5.959 422 HD3 ARG 56 HD1 ARG 56 -7.858 5.386 7.692 423 HE ARG 56 HE ARG 56 -9.159 7.704 6.576 424 HH11 ARG 56 HH11 ARG 56 -11.348 4.879 8.419 425 HH12 ARG 56 HH12 ARG 56 -9.728 4.520 7.938 426 HH21 ARG 56 HH21 ARG 56 -11.292 8.156 7.164 427 HH22 ARG 56 HH22 ARG 56 -12.238 6.958 7.978 428 H GLU 57 HN GLU 57 -3.011 6.114 3.978 429 HA GLU 57 HA GLU 57 -1.725 3.506 4.515 430 HB2 GLU 57 HB2 GLU 57 -0.061 4.095 2.741 431 HB3 GLU 57 HB1 GLU 57 -1.685 3.853 2.117 432 HG2 GLU 57 HG2 GLU 57 -2.017 6.208 1.819 433 HG3 GLU 57 HG1 GLU 57 -0.536 6.592 2.694 434 H LEU 58 HN LEU 58 0.537 3.658 5.011 435 HA LEU 58 HA LEU 58 1.265 5.813 6.789 436 HB2 LEU 58 HB2 LEU 58 2.642 3.237 5.944 437 HB3 LEU 58 HB1 LEU 58 3.380 4.376 7.060 438 HG LEU 58 HG LEU 58 0.647 3.193 7.650 439 HD11 LEU 58 HD11 LEU 58 1.666 1.429 8.986 440 HD12 LEU 58 HD12 LEU 58 3.275 1.914 8.438 441 HD13 LEU 58 HD13 LEU 58 2.104 1.271 7.285 442 HD21 LEU 58 HD21 LEU 58 2.809 4.311 9.462 443 HD22 LEU 58 HD22 LEU 58 1.246 3.676 9.985 444 HD23 LEU 58 HD23 LEU 58 1.314 5.124 8.986 445 H ARG 59 HN ARG 59 3.299 6.998 6.505 446 HA ARG 59 HA ARG 59 3.766 7.797 3.761 447 HB2 ARG 59 HB2 ARG 59 5.173 8.680 6.322 448 HB3 ARG 59 HB1 ARG 59 5.378 9.401 4.708 449 HG2 ARG 59 HG2 ARG 59 2.969 10.043 4.718 450 HG3 ARG 59 HG1 ARG 59 2.806 9.367 6.341 451 HD2 ARG 59 HD2 ARG 59 4.350 11.000 7.240 452 HD3 ARG 59 HD1 ARG 59 4.717 11.610 5.625 453 HE ARG 59 HE ARG 59 1.970 11.809 6.680 454 HH11 ARG 59 HH11 ARG 59 4.909 13.463 5.644 455 HH12 ARG 59 HH12 ARG 59 4.155 15.021 5.599 456 HH21 ARG 59 HH21 ARG 59 1.933 15.251 6.133 457 HH22 ARG 59 HH22 ARG 59 0.990 13.861 6.585 458 HA PRO 60 HA PRO 60 7.143 5.054 2.888 459 HB2 PRO 60 HB2 PRO 60 8.679 6.493 1.158 460 HB3 PRO 60 HB1 PRO 60 7.030 5.990 0.727 461 HG2 PRO 60 HG2 PRO 60 7.960 8.650 1.779 462 HG3 PRO 60 HG1 PRO 60 6.897 8.291 0.404 463 HD2 PRO 60 HD2 PRO 60 5.901 9.003 2.849 464 HD3 PRO 60 HD1 PRO 60 5.048 7.877 1.752 465 H ASP 61 HN ASP 61 9.247 4.554 3.481 466 HA ASP 61 HA ASP 61 10.664 6.297 5.350 467 HB2 ASP 61 HB2 ASP 61 10.416 3.847 5.808 468 HB3 ASP 61 HB1 ASP 61 11.326 3.490 4.343 469 H VAL 62 HN VAL 62 12.716 7.216 4.855 470 HA VAL 62 HA VAL 62 13.034 8.211 2.261 471 HB VAL 62 HB VAL 62 15.105 8.157 4.512 472 HG11 VAL 62 HG11 VAL 62 16.197 10.073 3.357 473 HG12 VAL 62 HG12 VAL 62 15.077 9.884 2.003 474 HG13 VAL 62 HG13 VAL 62 16.228 8.604 2.378 475 HG21 VAL 62 HG21 VAL 62 13.036 9.302 5.183 476 HG22 VAL 62 HG22 VAL 62 13.102 10.324 3.749 477 HG23 VAL 62 HG23 VAL 62 14.340 10.475 4.998 478 H PHE 63 HN PHE 63 13.200 6.634 0.697 479 HA PHE 63 HA PHE 63 15.546 4.838 0.674 480 HB2 PHE 63 HB2 PHE 63 14.345 3.610 -1.140 481 HB3 PHE 63 HB1 PHE 63 13.411 3.687 0.344 482 HD1 PHE 63 HD1 PHE 63 13.636 4.975 -3.151 483 HD2 PHE 63 HD2 PHE 63 11.217 4.764 0.373 484 HE1 PHE 63 HE1 PHE 63 11.697 5.797 -4.420 485 HE2 PHE 63 HE2 PHE 63 9.288 5.595 -0.906 486 HZ PHE 63 HZ PHE 63 9.525 6.113 -3.302 487 H GLY 64 HN GLY 64 15.553 7.763 0.176 488 HA2 GLY 64 HA2 GLY 64 17.101 8.960 -1.140 489 HA3 GLY 64 HA1 GLY 64 16.887 7.803 -2.449 490 H ALA 65 HN ALA 65 16.598 10.821 -2.151 491 HA ALA 65 HA ALA 65 15.405 12.548 -2.919 492 HB1 ALA 65 HB1 ALA 65 13.987 12.225 -4.899 493 HB2 ALA 65 HB2 ALA 65 13.980 10.480 -4.628 494 HB3 ALA 65 HB3 ALA 65 15.480 11.306 -5.043 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -15.256 -1.411 11.740 2 H2 MET 1 HT2 MET 1 -15.088 0.061 10.926 3 H3 MET 1 HT3 MET 1 -13.729 -0.697 11.592 4 HA MET 1 HA MET 1 -13.883 -2.500 10.071 5 HB2 MET 1 HB2 MET 1 -16.397 -2.453 9.932 6 HB3 MET 1 HB1 MET 1 -16.293 -1.046 8.887 7 HG2 MET 1 HG2 MET 1 -15.297 -2.322 7.134 8 HG3 MET 1 HG1 MET 1 -15.027 -3.703 8.194 9 HE1 MET 1 HE1 MET 1 -16.385 -4.020 5.317 10 HE2 MET 1 HE2 MET 1 -17.715 -5.107 5.705 11 HE3 MET 1 HE3 MET 1 -16.127 -5.365 6.427 12 H ASN 2 HN ASN 2 -11.928 -1.792 9.411 13 HA ASN 2 HA ASN 2 -11.497 0.830 8.260 14 HB2 ASN 2 HB2 ASN 2 -9.073 0.193 8.314 15 HB3 ASN 2 HB1 ASN 2 -9.876 0.070 9.872 16 HD21 ASN 2 HD21 ASN 2 -8.657 -1.430 10.842 17 HD22 ASN 2 HD22 ASN 2 -8.391 -3.037 10.268 18 H ALA 3 HN ALA 3 -10.051 1.046 6.388 19 HA ALA 3 HA ALA 3 -11.238 0.349 4.032 20 HB1 ALA 3 HB1 ALA 3 -9.612 2.193 4.274 21 HB2 ALA 3 HB2 ALA 3 -9.203 1.150 2.908 22 HB3 ALA 3 HB3 ALA 3 -8.303 1.019 4.420 23 H ILE 4 HN ILE 4 -8.637 -1.339 5.684 24 HA ILE 4 HA ILE 4 -7.867 -3.100 3.597 25 HB ILE 4 HB ILE 4 -7.567 -3.591 6.591 26 HG12 ILE 4 HG12 ILE 4 -5.142 -2.684 6.150 27 HG13 ILE 4 HG11 ILE 4 -5.844 -1.913 4.738 28 HG21 ILE 4 HG21 ILE 4 -5.688 -5.037 5.986 29 HG22 ILE 4 HG22 ILE 4 -5.954 -4.704 4.276 30 HG23 ILE 4 HG23 ILE 4 -7.170 -5.588 5.203 31 HD11 ILE 4 HD11 ILE 4 -5.682 -0.349 6.567 32 HD12 ILE 4 HD12 ILE 4 -6.587 -1.427 7.626 33 HD13 ILE 4 HD13 ILE 4 -7.390 -0.673 6.247 34 H ASP 5 HN ASP 5 -10.018 -3.348 6.371 35 HA ASP 5 HA ASP 5 -10.709 -6.079 6.106 36 HB2 ASP 5 HB2 ASP 5 -10.865 -4.862 8.268 37 HB3 ASP 5 HB1 ASP 5 -12.182 -3.877 7.629 38 H ILE 6 HN ILE 6 -12.299 -3.065 5.106 39 HA ILE 6 HA ILE 6 -14.667 -4.159 4.054 40 HB ILE 6 HB ILE 6 -13.166 -1.616 3.247 41 HG12 ILE 6 HG12 ILE 6 -15.603 -2.048 5.035 42 HG13 ILE 6 HG11 ILE 6 -13.989 -1.624 5.580 43 HG21 ILE 6 HG21 ILE 6 -15.261 -0.878 2.130 44 HG22 ILE 6 HG22 ILE 6 -15.986 -2.455 2.439 45 HG23 ILE 6 HG23 ILE 6 -14.596 -2.319 1.361 46 HD11 ILE 6 HD11 ILE 6 -15.440 0.284 5.656 47 HD12 ILE 6 HD12 ILE 6 -15.832 0.110 3.947 48 HD13 ILE 6 HD13 ILE 6 -14.192 0.537 4.439 49 H ALA 7 HN ALA 7 -11.450 -3.621 2.626 50 HA ALA 7 HA ALA 7 -12.059 -4.488 -0.007 51 HB1 ALA 7 HB1 ALA 7 -9.366 -4.525 1.398 52 HB2 ALA 7 HB2 ALA 7 -10.071 -3.141 0.558 53 HB3 ALA 7 HB3 ALA 7 -9.652 -4.595 -0.350 54 H ILE 8 HN ILE 8 -11.052 -6.260 2.890 55 HA ILE 8 HA ILE 8 -10.595 -8.828 1.823 56 HB ILE 8 HB ILE 8 -11.741 -8.011 4.542 57 HG12 ILE 8 HG12 ILE 8 -8.906 -8.880 3.822 58 HG13 ILE 8 HG11 ILE 8 -9.412 -7.206 3.967 59 HG21 ILE 8 HG21 ILE 8 -11.119 -10.278 5.350 60 HG22 ILE 8 HG22 ILE 8 -10.734 -10.749 3.694 61 HG23 ILE 8 HG23 ILE 8 -12.392 -10.325 4.126 62 HD11 ILE 8 HD11 ILE 8 -9.307 -9.252 6.168 63 HD12 ILE 8 HD12 ILE 8 -9.931 -7.612 6.347 64 HD13 ILE 8 HD13 ILE 8 -8.238 -7.869 5.932 65 H ASN 9 HN ASN 9 -13.583 -7.367 3.114 66 HA ASN 9 HA ASN 9 -15.268 -9.594 2.485 67 HB2 ASN 9 HB2 ASN 9 -16.013 -6.707 3.149 68 HB3 ASN 9 HB1 ASN 9 -17.148 -8.046 3.077 69 HD21 ASN 9 HD21 ASN 9 -14.753 -6.471 4.980 70 HD22 ASN 9 HD22 ASN 9 -14.911 -7.446 6.390 71 H LYS 10 HN LYS 10 -14.263 -6.733 0.751 72 HA LYS 10 HA LYS 10 -16.440 -6.564 -1.097 73 HB2 LYS 10 HB2 LYS 10 -14.806 -4.698 -0.336 74 HB3 LYS 10 HB1 LYS 10 -13.652 -5.335 -1.498 75 HG2 LYS 10 HG2 LYS 10 -16.439 -4.478 -2.340 76 HG3 LYS 10 HG1 LYS 10 -15.134 -3.308 -2.164 77 HD2 LYS 10 HD2 LYS 10 -13.794 -4.578 -3.838 78 HD3 LYS 10 HD1 LYS 10 -15.144 -5.703 -4.039 79 HE2 LYS 10 HE2 LYS 10 -16.572 -3.811 -4.798 80 HE3 LYS 10 HE1 LYS 10 -15.183 -2.730 -4.672 81 HZ1 LYS 10 HZ1 LYS 10 -15.427 -5.078 -6.483 82 HZ2 LYS 10 HZ2 LYS 10 -14.041 -4.126 -6.321 83 HZ3 LYS 10 HZ3 LYS 10 -15.459 -3.447 -6.936 84 H LEU 11 HN LEU 11 -13.154 -7.916 -1.238 85 HA LEU 11 HA LEU 11 -13.570 -9.029 -3.893 86 HB2 LEU 11 HB2 LEU 11 -11.287 -9.551 -1.944 87 HB3 LEU 11 HB1 LEU 11 -11.346 -10.046 -3.625 88 HG LEU 11 HG LEU 11 -10.779 -7.329 -2.459 89 HD11 LEU 11 HD11 LEU 11 -9.050 -7.263 -4.212 90 HD12 LEU 11 HD12 LEU 11 -9.603 -8.825 -4.821 91 HD13 LEU 11 HD13 LEU 11 -8.913 -8.702 -3.204 92 HD21 LEU 11 HD21 LEU 11 -12.704 -6.799 -3.849 93 HD22 LEU 11 HD22 LEU 11 -11.979 -7.629 -5.229 94 HD23 LEU 11 HD23 LEU 11 -11.228 -6.171 -4.574 95 H GLY 12 HN GLY 12 -13.917 -10.041 -0.565 96 HA2 GLY 12 HA2 GLY 12 -15.573 -11.759 -0.120 97 HA3 GLY 12 HA1 GLY 12 -14.936 -12.687 -1.471 98 H SER 13 HN SER 13 -12.115 -12.175 -0.778 99 HA SER 13 HA SER 13 -11.770 -13.557 1.794 100 HB2 SER 13 HB2 SER 13 -10.330 -15.312 0.733 101 HB3 SER 13 HB1 SER 13 -11.992 -15.386 0.151 102 HG SER 13 HG SER 13 -10.563 -15.526 -1.583 103 H VAL 14 HN VAL 14 -9.611 -13.626 2.534 104 HA VAL 14 HA VAL 14 -7.960 -11.337 1.959 105 HB VAL 14 HB VAL 14 -7.829 -13.649 3.940 106 HG11 VAL 14 HG11 VAL 14 -5.617 -11.602 3.599 107 HG12 VAL 14 HG12 VAL 14 -5.482 -13.333 3.303 108 HG13 VAL 14 HG13 VAL 14 -5.763 -12.740 4.939 109 HG21 VAL 14 HG21 VAL 14 -7.976 -10.636 4.247 110 HG22 VAL 14 HG22 VAL 14 -7.905 -11.789 5.595 111 HG23 VAL 14 HG23 VAL 14 -9.290 -11.793 4.503 112 H SER 15 HN SER 15 -8.063 -14.703 1.046 113 HA SER 15 HA SER 15 -5.391 -15.015 0.162 114 HB2 SER 15 HB2 SER 15 -6.327 -16.998 -1.078 115 HB3 SER 15 HB1 SER 15 -6.785 -16.948 0.627 116 HG SER 15 HG SER 15 -8.365 -16.902 -1.575 117 H ALA 16 HN ALA 16 -8.400 -14.112 -1.545 118 HA ALA 16 HA ALA 16 -7.174 -13.613 -4.093 119 HB1 ALA 16 HB1 ALA 16 -9.570 -14.151 -3.882 120 HB2 ALA 16 HB2 ALA 16 -9.335 -12.607 -4.705 121 HB3 ALA 16 HB3 ALA 16 -9.843 -12.638 -3.014 122 H LEU 17 HN LEU 17 -7.891 -11.643 -1.233 123 HA LEU 17 HA LEU 17 -7.456 -9.094 -2.392 124 HB2 LEU 17 HB2 LEU 17 -8.660 -9.401 -0.237 125 HB3 LEU 17 HB1 LEU 17 -7.163 -9.925 0.523 126 HG LEU 17 HG LEU 17 -6.173 -7.695 0.120 127 HD11 LEU 17 HD11 LEU 17 -7.558 -5.796 -0.591 128 HD12 LEU 17 HD12 LEU 17 -8.906 -6.887 -0.918 129 HD13 LEU 17 HD13 LEU 17 -7.420 -7.005 -1.866 130 HD21 LEU 17 HD21 LEU 17 -8.772 -7.537 1.630 131 HD22 LEU 17 HD22 LEU 17 -7.389 -6.446 1.791 132 HD23 LEU 17 HD23 LEU 17 -7.232 -8.143 2.249 133 H ALA 18 HN ALA 18 -5.330 -11.257 -0.568 134 HA ALA 18 HA ALA 18 -3.071 -9.567 -0.418 135 HB1 ALA 18 HB1 ALA 18 -1.887 -11.586 0.310 136 HB2 ALA 18 HB2 ALA 18 -3.225 -12.596 -0.252 137 HB3 ALA 18 HB3 ALA 18 -3.467 -11.465 1.084 138 H ALA 19 HN ALA 19 -4.095 -11.992 -2.777 139 HA ALA 19 HA ALA 19 -1.825 -12.018 -4.460 140 HB1 ALA 19 HB1 ALA 19 -3.355 -12.880 -6.181 141 HB2 ALA 19 HB2 ALA 19 -4.747 -12.391 -5.206 142 HB3 ALA 19 HB3 ALA 19 -3.657 -13.651 -4.625 143 H ALA 20 HN ALA 20 -4.724 -9.987 -4.430 144 HA ALA 20 HA ALA 20 -4.138 -8.454 -6.765 145 HB1 ALA 20 HB1 ALA 20 -6.031 -7.838 -4.466 146 HB2 ALA 20 HB2 ALA 20 -6.427 -8.766 -5.911 147 HB3 ALA 20 HB3 ALA 20 -6.033 -7.056 -6.054 148 H LEU 21 HN LEU 21 -3.223 -8.159 -3.412 149 HA LEU 21 HA LEU 21 -2.217 -5.405 -3.730 150 HB2 LEU 21 HB2 LEU 21 -2.441 -7.197 -1.270 151 HB3 LEU 21 HB1 LEU 21 -1.863 -5.535 -1.252 152 HG LEU 21 HG LEU 21 -4.673 -6.396 -2.050 153 HD11 LEU 21 HD11 LEU 21 -3.694 -5.082 0.495 154 HD12 LEU 21 HD12 LEU 21 -4.439 -6.675 0.309 155 HD13 LEU 21 HD13 LEU 21 -5.393 -5.223 0.020 156 HD21 LEU 21 HD21 LEU 21 -3.507 -3.622 -1.774 157 HD22 LEU 21 HD22 LEU 21 -5.210 -4.004 -2.063 158 HD23 LEU 21 HD23 LEU 21 -3.997 -4.421 -3.269 159 H GLY 22 HN GLY 22 -1.097 -8.578 -4.001 160 HA2 GLY 22 HA2 GLY 22 0.971 -9.391 -4.589 161 HA3 GLY 22 HA1 GLY 22 1.594 -7.754 -4.555 162 H VAL 23 HN VAL 23 0.023 -9.053 -1.758 163 HA VAL 23 HA VAL 23 2.601 -9.517 -0.356 164 HB VAL 23 HB VAL 23 1.469 -8.824 1.748 165 HG11 VAL 23 HG11 VAL 23 2.736 -7.120 0.512 166 HG12 VAL 23 HG12 VAL 23 1.349 -6.397 1.327 167 HG13 VAL 23 HG13 VAL 23 1.294 -6.690 -0.414 168 HG21 VAL 23 HG21 VAL 23 -0.906 -8.095 -0.017 169 HG22 VAL 23 HG22 VAL 23 -0.756 -7.717 1.701 170 HG23 VAL 23 HG23 VAL 23 -0.858 -9.396 1.175 171 H ASN 24 HN ASN 24 2.101 -10.928 1.739 172 HA ASN 24 HA ASN 24 0.616 -13.307 0.905 173 HB2 ASN 24 HB2 ASN 24 1.583 -14.422 2.857 174 HB3 ASN 24 HB1 ASN 24 2.842 -13.647 1.920 175 HD21 ASN 24 HD21 ASN 24 2.966 -14.493 4.660 176 HD22 ASN 24 HD22 ASN 24 3.292 -13.082 5.602 177 H GLN 25 HN GLN 25 -0.754 -14.359 2.572 178 HA GLN 25 HA GLN 25 -2.967 -12.706 3.191 179 HB2 GLN 25 HB2 GLN 25 -2.324 -15.593 3.925 180 HB3 GLN 25 HB1 GLN 25 -3.814 -14.816 4.448 181 HG2 GLN 25 HG2 GLN 25 -4.240 -16.142 2.478 182 HG3 GLN 25 HG1 GLN 25 -4.451 -14.440 2.102 183 HE21 GLN 25 HE21 GLN 25 -1.393 -16.224 2.273 184 HE22 GLN 25 HE22 GLN 25 -0.988 -16.023 0.607 185 H SER 26 HN SER 26 -0.315 -13.969 5.116 186 HA SER 26 HA SER 26 -1.186 -13.296 7.694 187 HB2 SER 26 HB2 SER 26 1.687 -13.403 6.688 188 HB3 SER 26 HB1 SER 26 1.157 -13.576 8.360 189 HG SER 26 HG SER 26 -0.077 -15.450 7.554 190 H ALA 27 HN ALA 27 0.368 -11.311 5.189 191 HA ALA 27 HA ALA 27 0.938 -9.021 6.780 192 HB1 ALA 27 HB1 ALA 27 1.109 -7.785 4.660 193 HB2 ALA 27 HB2 ALA 27 0.366 -9.136 3.795 194 HB3 ALA 27 HB3 ALA 27 1.943 -9.335 4.560 195 H ILE 28 HN ILE 28 -1.918 -10.009 4.921 196 HA ILE 28 HA ILE 28 -3.372 -7.579 5.115 197 HB ILE 28 HB ILE 28 -4.469 -10.407 4.754 198 HG12 ILE 28 HG12 ILE 28 -2.755 -9.828 3.034 199 HG13 ILE 28 HG11 ILE 28 -4.360 -10.023 2.340 200 HG21 ILE 28 HG21 ILE 28 -6.383 -9.302 3.641 201 HG22 ILE 28 HG22 ILE 28 -5.712 -7.723 4.052 202 HG23 ILE 28 HG23 ILE 28 -6.242 -8.817 5.333 203 HD11 ILE 28 HD11 ILE 28 -4.609 -7.582 2.260 204 HD12 ILE 28 HD12 ILE 28 -3.221 -8.161 1.345 205 HD13 ILE 28 HD13 ILE 28 -2.979 -7.410 2.919 206 H SER 29 HN SER 29 -3.387 -10.536 7.101 207 HA SER 29 HA SER 29 -5.465 -9.755 8.864 208 HB2 SER 29 HB2 SER 29 -4.348 -11.564 10.359 209 HB3 SER 29 HB1 SER 29 -4.989 -12.056 8.790 210 HG SER 29 HG SER 29 -2.281 -11.531 9.457 211 H GLN 30 HN GLN 30 -1.984 -9.146 8.865 212 HA GLN 30 HA GLN 30 -1.845 -7.837 11.402 213 HB2 GLN 30 HB2 GLN 30 -0.104 -7.549 8.916 214 HB3 GLN 30 HB1 GLN 30 0.262 -6.781 10.457 215 HG2 GLN 30 HG2 GLN 30 0.554 -8.957 11.526 216 HG3 GLN 30 HG1 GLN 30 0.052 -9.781 10.049 217 HE21 GLN 30 HE21 GLN 30 1.499 -9.828 8.283 218 HE22 GLN 30 HE22 GLN 30 3.181 -9.494 8.466 219 H TRP 31 HN TRP 31 -2.531 -6.734 8.091 220 HA TRP 31 HA TRP 31 -2.491 -3.936 8.623 221 HB2 TRP 31 HB2 TRP 31 -3.700 -5.549 6.338 222 HB3 TRP 31 HB1 TRP 31 -3.698 -3.790 6.377 223 HD1 TRP 31 HD1 TRP 31 -0.433 -4.553 7.726 224 HE1 TRP 31 HE1 TRP 31 1.369 -4.558 5.896 225 HE3 TRP 31 HE3 TRP 31 -3.426 -4.828 3.573 226 HZ2 TRP 31 HZ2 TRP 31 1.520 -4.651 3.106 227 HZ3 TRP 31 HZ3 TRP 31 -2.362 -4.855 1.364 228 HH2 TRP 31 HH2 TRP 31 0.059 -4.771 1.136 229 H ARG 32 HN ARG 32 -5.059 -6.355 8.694 230 HA ARG 32 HA ARG 32 -7.286 -4.604 9.017 231 HB2 ARG 32 HB2 ARG 32 -7.639 -6.946 8.338 232 HB3 ARG 32 HB1 ARG 32 -6.890 -7.530 9.819 233 HG2 ARG 32 HG2 ARG 32 -8.816 -6.272 11.044 234 HG3 ARG 32 HG1 ARG 32 -9.597 -6.213 9.467 235 HD2 ARG 32 HD2 ARG 32 -8.658 -8.811 10.702 236 HD3 ARG 32 HD1 ARG 32 -10.239 -8.128 11.067 237 HE ARG 32 HE ARG 32 -10.534 -8.218 8.516 238 HH11 ARG 32 HH11 ARG 32 -9.070 -11.902 9.223 239 HH12 ARG 32 HH12 ARG 32 -8.722 -10.620 10.343 240 HH21 ARG 32 HH21 ARG 32 -11.046 -9.920 7.104 241 HH22 ARG 32 HH22 ARG 32 -10.386 -11.498 7.391 242 H ALA 33 HN ALA 33 -5.070 -6.289 11.223 243 HA ALA 33 HA ALA 33 -6.438 -5.350 13.585 244 HB1 ALA 33 HB1 ALA 33 -5.379 -7.571 13.550 245 HB2 ALA 33 HB2 ALA 33 -4.675 -6.568 14.817 246 HB3 ALA 33 HB3 ALA 33 -3.791 -6.837 13.312 247 H ARG 34 HN ARG 34 -4.026 -4.090 11.529 248 HA ARG 34 HA ARG 34 -2.751 -2.288 13.436 249 HB2 ARG 34 HB2 ARG 34 -1.529 -3.293 11.521 250 HB3 ARG 34 HB1 ARG 34 -2.658 -2.566 10.388 251 HG2 ARG 34 HG2 ARG 34 -0.696 -1.274 10.285 252 HG3 ARG 34 HG1 ARG 34 -1.843 -0.304 11.196 253 HD2 ARG 34 HD2 ARG 34 -0.738 -0.859 13.286 254 HD3 ARG 34 HD1 ARG 34 0.316 -2.020 12.473 255 HE ARG 34 HE ARG 34 0.463 0.764 11.604 256 HH11 ARG 34 HH11 ARG 34 3.484 -0.982 13.619 257 HH12 ARG 34 HH12 ARG 34 1.950 -1.782 13.521 258 HH21 ARG 34 HH21 ARG 34 2.493 1.788 11.709 259 HH22 ARG 34 HH22 ARG 34 3.787 1.048 12.588 260 H GLY 35 HN GLY 35 -5.223 -2.278 10.949 261 HA2 GLY 35 HA2 GLY 35 -6.993 -0.826 10.590 262 HA3 GLY 35 HA1 GLY 35 -6.342 0.272 11.797 263 H ARG 36 HN ARG 36 -4.013 -0.711 9.496 264 HA ARG 36 HA ARG 36 -4.435 1.325 7.515 265 HB2 ARG 36 HB2 ARG 36 -3.693 2.622 9.595 266 HB3 ARG 36 HB1 ARG 36 -2.133 1.830 9.463 267 HG2 ARG 36 HG2 ARG 36 -1.491 3.078 7.611 268 HG3 ARG 36 HG1 ARG 36 -3.152 3.299 7.035 269 HD2 ARG 36 HD2 ARG 36 -1.824 4.737 9.364 270 HD3 ARG 36 HD1 ARG 36 -2.308 5.432 7.810 271 HE ARG 36 HE ARG 36 -4.473 4.226 9.338 272 HH11 ARG 36 HH11 ARG 36 -2.748 7.249 8.755 273 HH12 ARG 36 HH12 ARG 36 -4.047 8.235 9.345 274 HH21 ARG 36 HH21 ARG 36 -6.145 5.532 10.142 275 HH22 ARG 36 HH22 ARG 36 -5.976 7.251 10.129 276 H VAL 37 HN VAL 37 -2.854 1.241 5.829 277 HA VAL 37 HA VAL 37 -1.143 -1.173 5.831 278 HB VAL 37 HB VAL 37 -1.110 -1.002 3.369 279 HG11 VAL 37 HG11 VAL 37 -3.445 -1.576 2.928 280 HG12 VAL 37 HG12 VAL 37 -3.936 -0.865 4.468 281 HG13 VAL 37 HG13 VAL 37 -2.897 -2.293 4.442 282 HG21 VAL 37 HG21 VAL 37 -2.944 1.413 3.673 283 HG22 VAL 37 HG22 VAL 37 -2.541 0.611 2.150 284 HG23 VAL 37 HG23 VAL 37 -1.283 1.430 3.074 285 HA PRO 38 HA PRO 38 2.735 1.238 5.540 286 HB2 PRO 38 HB2 PRO 38 3.426 -0.874 3.473 287 HB3 PRO 38 HB1 PRO 38 4.366 -0.316 4.877 288 HG2 PRO 38 HG2 PRO 38 3.133 -2.642 4.986 289 HG3 PRO 38 HG1 PRO 38 3.089 -1.559 6.400 290 HD2 PRO 38 HD2 PRO 38 0.948 -2.046 4.328 291 HD3 PRO 38 HD1 PRO 38 0.801 -1.903 6.094 292 H ALA 39 HN ALA 39 4.101 2.221 3.795 293 HA ALA 39 HA ALA 39 2.500 3.910 2.224 294 HB1 ALA 39 HB1 ALA 39 4.635 4.607 3.164 295 HB2 ALA 39 HB2 ALA 39 4.636 4.842 1.414 296 HB3 ALA 39 HB3 ALA 39 5.504 3.475 2.121 297 H GLY 40 HN GLY 40 1.824 3.795 0.122 298 HA2 GLY 40 HA2 GLY 40 1.795 3.346 -2.139 299 HA3 GLY 40 HA1 GLY 40 3.275 2.421 -1.976 300 H ARG 41 HN ARG 41 -0.115 2.153 -0.817 301 HA ARG 41 HA ARG 41 -0.556 -0.251 -2.329 302 HB2 ARG 41 HB2 ARG 41 0.702 -0.999 -0.180 303 HB3 ARG 41 HB1 ARG 41 -0.757 -0.567 0.700 304 HG2 ARG 41 HG2 ARG 41 -0.890 -2.905 0.344 305 HG3 ARG 41 HG1 ARG 41 -2.014 -2.198 -0.818 306 HD2 ARG 41 HD2 ARG 41 0.808 -3.144 -1.426 307 HD3 ARG 41 HD1 ARG 41 -0.671 -4.030 -1.793 308 HE ARG 41 HE ARG 41 -1.195 -1.908 -3.208 309 HH11 ARG 41 HH11 ARG 41 2.004 -3.383 -2.862 310 HH12 ARG 41 HH12 ARG 41 2.554 -2.829 -4.413 311 HH21 ARG 41 HH21 ARG 41 1.181 -1.591 -5.750 312 HH22 ARG 41 HH22 ARG 41 -0.427 -1.187 -5.241 313 H CYS 42 HN CYS 42 -1.683 2.295 -0.302 314 HA CYS 42 HA CYS 42 -4.319 1.527 0.214 315 HB2 CYS 42 HB2 CYS 42 -3.363 3.362 1.406 316 HB3 CYS 42 HB1 CYS 42 -3.087 4.269 -0.075 317 H ILE 43 HN ILE 43 -2.913 2.938 -2.713 318 HA ILE 43 HA ILE 43 -5.134 3.817 -4.130 319 HB ILE 43 HB ILE 43 -2.564 2.438 -5.028 320 HG12 ILE 43 HG12 ILE 43 -3.562 5.305 -5.383 321 HG13 ILE 43 HG11 ILE 43 -2.423 4.770 -4.156 322 HG21 ILE 43 HG21 ILE 43 -4.707 3.476 -6.922 323 HG22 ILE 43 HG22 ILE 43 -4.179 1.802 -6.749 324 HG23 ILE 43 HG23 ILE 43 -3.073 3.009 -7.399 325 HD11 ILE 43 HD11 ILE 43 -1.967 4.790 -7.137 326 HD12 ILE 43 HD12 ILE 43 -0.828 4.170 -5.938 327 HD13 ILE 43 HD13 ILE 43 -1.265 5.877 -5.939 328 H ASP 44 HN ASP 44 -3.925 0.499 -3.760 329 HA ASP 44 HA ASP 44 -5.773 -0.668 -5.627 330 HB2 ASP 44 HB2 ASP 44 -4.111 -2.109 -3.534 331 HB3 ASP 44 HB1 ASP 44 -4.784 -2.791 -5.013 332 H ILE 45 HN ILE 45 -5.492 -0.690 -2.077 333 HA ILE 45 HA ILE 45 -7.914 -2.078 -1.559 334 HB ILE 45 HB ILE 45 -6.185 -0.269 0.185 335 HG12 ILE 45 HG12 ILE 45 -6.691 -3.278 0.072 336 HG13 ILE 45 HG11 ILE 45 -5.184 -2.431 -0.255 337 HG21 ILE 45 HG21 ILE 45 -8.657 -1.756 1.127 338 HG22 ILE 45 HG22 ILE 45 -8.503 -0.000 0.996 339 HG23 ILE 45 HG23 ILE 45 -7.512 -0.889 2.152 340 HD11 ILE 45 HD11 ILE 45 -5.019 -3.546 1.844 341 HD12 ILE 45 HD12 ILE 45 -6.513 -2.815 2.431 342 HD13 ILE 45 HD13 ILE 45 -5.084 -1.813 2.153 343 H GLU 46 HN GLU 46 -7.237 1.258 -2.363 344 HA GLU 46 HA GLU 46 -9.733 2.413 -1.541 345 HB2 GLU 46 HB2 GLU 46 -7.574 3.706 -2.014 346 HB3 GLU 46 HB1 GLU 46 -7.870 3.452 -3.730 347 HG2 GLU 46 HG2 GLU 46 -10.138 4.611 -3.339 348 HG3 GLU 46 HG1 GLU 46 -9.494 5.095 -1.769 349 H LEU 47 HN LEU 47 -8.552 0.846 -4.496 350 HA LEU 47 HA LEU 47 -10.748 1.205 -6.204 351 HB2 LEU 47 HB2 LEU 47 -9.030 -1.283 -5.814 352 HB3 LEU 47 HB1 LEU 47 -10.118 -1.048 -7.167 353 HG LEU 47 HG LEU 47 -7.763 0.814 -6.641 354 HD11 LEU 47 HD11 LEU 47 -7.807 -1.617 -8.472 355 HD12 LEU 47 HD12 LEU 47 -6.892 -1.475 -6.970 356 HD13 LEU 47 HD13 LEU 47 -6.504 -0.432 -8.333 357 HD21 LEU 47 HD21 LEU 47 -9.436 0.274 -9.103 358 HD22 LEU 47 HD22 LEU 47 -8.078 1.401 -8.997 359 HD23 LEU 47 HD23 LEU 47 -9.544 1.703 -8.069 360 H TYR 48 HN TYR 48 -10.189 -1.075 -3.558 361 HA TYR 48 HA TYR 48 -12.831 -2.336 -3.880 362 HB2 TYR 48 HB2 TYR 48 -10.861 -3.124 -1.724 363 HB3 TYR 48 HB1 TYR 48 -12.032 -4.132 -2.585 364 HD1 TYR 48 HD1 TYR 48 -8.828 -4.332 -2.046 365 HD2 TYR 48 HD2 TYR 48 -11.242 -3.425 -5.458 366 HE1 TYR 48 HE1 TYR 48 -7.016 -5.073 -3.531 367 HE2 TYR 48 HE2 TYR 48 -9.426 -4.141 -6.940 368 HH TYR 48 HH TYR 48 -7.029 -4.448 -6.888 369 H THR 49 HN THR 49 -11.860 0.411 -2.408 370 HA THR 49 HA THR 49 -14.174 0.338 -0.552 371 HB THR 49 HB THR 49 -12.994 1.803 1.064 372 HG1 THR 49 HG1 THR 49 -10.546 1.332 -0.259 373 HG21 THR 49 HG21 THR 49 -11.398 0.205 2.022 374 HG22 THR 49 HG22 THR 49 -11.363 -0.695 0.507 375 HG23 THR 49 HG23 THR 49 -12.846 -0.628 1.458 376 H ASP 50 HN ASP 50 -14.223 1.120 -3.208 377 HA ASP 50 HA ASP 50 -13.152 3.603 -3.892 378 HB2 ASP 50 HB2 ASP 50 -14.474 3.494 -5.952 379 HB3 ASP 50 HB1 ASP 50 -13.816 1.911 -5.564 380 H GLY 51 HN GLY 51 -16.231 2.938 -2.375 381 HA2 GLY 51 HA2 GLY 51 -16.549 5.801 -1.782 382 HA3 GLY 51 HA1 GLY 51 -17.891 4.996 -2.592 383 H ARG 52 HN ARG 52 -15.879 3.267 -0.362 384 HA ARG 52 HA ARG 52 -18.128 2.882 1.491 385 HB2 ARG 52 HB2 ARG 52 -15.460 1.417 1.306 386 HB3 ARG 52 HB1 ARG 52 -16.794 0.979 2.366 387 HG2 ARG 52 HG2 ARG 52 -16.888 0.935 -0.665 388 HG3 ARG 52 HG1 ARG 52 -16.617 -0.470 0.360 389 HD2 ARG 52 HD2 ARG 52 -18.912 -0.505 -0.315 390 HD3 ARG 52 HD1 ARG 52 -18.886 -0.050 1.390 391 HE ARG 52 HE ARG 52 -19.050 2.053 -0.676 392 HH11 ARG 52 HH11 ARG 52 -21.947 1.479 2.068 393 HH12 ARG 52 HH12 ARG 52 -20.666 0.316 1.925 394 HH21 ARG 52 HH21 ARG 52 -20.704 3.626 -0.410 395 HH22 ARG 52 HH22 ARG 52 -21.964 3.345 0.749 396 H VAL 53 HN VAL 53 -14.656 3.642 1.577 397 HA VAL 53 HA VAL 53 -14.978 5.469 3.829 398 HB VAL 53 HB VAL 53 -14.615 3.192 4.895 399 HG11 VAL 53 HG11 VAL 53 -13.194 2.175 3.177 400 HG12 VAL 53 HG12 VAL 53 -12.425 2.098 4.761 401 HG13 VAL 53 HG13 VAL 53 -11.884 3.290 3.577 402 HG21 VAL 53 HG21 VAL 53 -13.954 5.211 6.118 403 HG22 VAL 53 HG22 VAL 53 -12.362 5.180 5.359 404 HG23 VAL 53 HG23 VAL 53 -12.836 3.889 6.467 405 H GLU 54 HN GLU 54 -13.170 6.933 3.954 406 HA GLU 54 HA GLU 54 -11.485 7.210 1.662 407 HB2 GLU 54 HB2 GLU 54 -12.192 9.136 3.064 408 HB3 GLU 54 HB1 GLU 54 -11.267 8.495 4.415 409 HG2 GLU 54 HG2 GLU 54 -10.083 10.334 3.338 410 HG3 GLU 54 HG1 GLU 54 -9.179 8.833 3.180 411 H CYS 55 HN CYS 55 -10.107 5.576 1.286 412 HA CYS 55 HA CYS 55 -8.823 3.937 3.181 413 HB2 CYS 55 HB2 CYS 55 -9.035 3.085 0.964 414 HB3 CYS 55 HB1 CYS 55 -8.242 4.487 0.257 415 H ARG 56 HN ARG 56 -6.688 3.913 3.987 416 HA ARG 56 HA ARG 56 -5.168 6.441 3.823 417 HB2 ARG 56 HB2 ARG 56 -6.179 5.195 6.429 418 HB3 ARG 56 HB1 ARG 56 -5.032 6.530 6.331 419 HG2 ARG 56 HG2 ARG 56 -6.671 8.009 5.402 420 HG3 ARG 56 HG1 ARG 56 -7.803 6.688 5.120 421 HD2 ARG 56 HD2 ARG 56 -8.007 6.386 7.589 422 HD3 ARG 56 HD1 ARG 56 -6.955 7.794 7.813 423 HE ARG 56 HE ARG 56 -8.911 8.746 6.193 424 HH11 ARG 56 HH11 ARG 56 -10.485 7.879 9.796 425 HH12 ARG 56 HH12 ARG 56 -9.017 7.103 9.305 426 HH21 ARG 56 HH21 ARG 56 -10.854 9.728 6.849 427 HH22 ARG 56 HH22 ARG 56 -11.518 9.358 8.408 428 H GLU 57 HN GLU 57 -3.017 6.204 3.974 429 HA GLU 57 HA GLU 57 -1.840 3.656 4.897 430 HB2 GLU 57 HB2 GLU 57 -0.244 3.651 3.025 431 HB3 GLU 57 HB1 GLU 57 -1.895 3.554 2.426 432 HG2 GLU 57 HG2 GLU 57 -1.857 5.874 1.740 433 HG3 GLU 57 HG1 GLU 57 -0.291 6.122 2.521 434 H LEU 58 HN LEU 58 0.480 3.834 5.295 435 HA LEU 58 HA LEU 58 1.236 6.284 6.602 436 HB2 LEU 58 HB2 LEU 58 2.748 3.691 6.116 437 HB3 LEU 58 HB1 LEU 58 3.309 4.998 7.155 438 HG LEU 58 HG LEU 58 0.721 3.466 7.624 439 HD11 LEU 58 HD11 LEU 58 1.822 2.257 9.407 440 HD12 LEU 58 HD12 LEU 58 3.363 3.047 9.045 441 HD13 LEU 58 HD13 LEU 58 2.631 1.948 7.871 442 HD21 LEU 58 HD21 LEU 58 2.212 5.434 9.384 443 HD22 LEU 58 HD22 LEU 58 0.790 4.508 9.863 444 HD23 LEU 58 HD23 LEU 58 0.664 5.698 8.574 445 H ARG 59 HN ARG 59 2.862 7.714 5.906 446 HA ARG 59 HA ARG 59 3.459 7.611 3.034 447 HB2 ARG 59 HB2 ARG 59 4.025 9.787 5.098 448 HB3 ARG 59 HB1 ARG 59 4.388 9.889 3.362 449 HG2 ARG 59 HG2 ARG 59 1.982 9.702 2.842 450 HG3 ARG 59 HG1 ARG 59 1.604 9.583 4.563 451 HD2 ARG 59 HD2 ARG 59 2.912 11.972 3.213 452 HD3 ARG 59 HD1 ARG 59 1.216 11.860 3.697 453 HE ARG 59 HE ARG 59 3.177 11.448 5.813 454 HH11 ARG 59 HH11 ARG 59 1.076 14.879 5.603 455 HH12 ARG 59 HH12 ARG 59 1.059 13.798 4.247 456 HH21 ARG 59 HH21 ARG 59 3.190 12.875 7.563 457 HH22 ARG 59 HH22 ARG 59 2.285 14.355 7.480 458 HA PRO 60 HA PRO 60 7.493 5.935 3.405 459 HB2 PRO 60 HB2 PRO 60 8.864 7.093 1.355 460 HB3 PRO 60 HB1 PRO 60 7.486 6.009 1.071 461 HG2 PRO 60 HG2 PRO 60 7.524 9.013 1.087 462 HG3 PRO 60 HG1 PRO 60 6.799 7.900 -0.088 463 HD2 PRO 60 HD2 PRO 60 5.316 9.084 1.878 464 HD3 PRO 60 HD1 PRO 60 4.957 7.450 1.251 465 H ASP 61 HN ASP 61 9.351 6.207 4.466 466 HA ASP 61 HA ASP 61 9.722 8.633 5.988 467 HB2 ASP 61 HB2 ASP 61 11.238 7.351 7.361 468 HB3 ASP 61 HB1 ASP 61 9.869 6.320 6.980 469 H VAL 62 HN VAL 62 11.631 6.833 3.592 470 HA VAL 62 HA VAL 62 13.257 9.233 3.046 471 HB VAL 62 HB VAL 62 14.442 7.678 4.695 472 HG11 VAL 62 HG11 VAL 62 15.506 5.633 3.859 473 HG12 VAL 62 HG12 VAL 62 14.672 5.815 2.315 474 HG13 VAL 62 HG13 VAL 62 13.746 5.521 3.788 475 HG21 VAL 62 HG21 VAL 62 15.864 8.207 2.063 476 HG22 VAL 62 HG22 VAL 62 16.649 7.857 3.606 477 HG23 VAL 62 HG23 VAL 62 15.702 9.332 3.415 478 H PHE 63 HN PHE 63 11.131 7.178 1.830 479 HA PHE 63 HA PHE 63 12.389 6.875 -0.845 480 HB2 PHE 63 HB2 PHE 63 9.862 5.499 0.207 481 HB3 PHE 63 HB1 PHE 63 10.736 5.128 -1.276 482 HD1 PHE 63 HD1 PHE 63 10.328 4.211 2.136 483 HD2 PHE 63 HD2 PHE 63 13.264 4.399 -0.970 484 HE1 PHE 63 HE1 PHE 63 11.725 2.587 3.352 485 HE2 PHE 63 HE2 PHE 63 14.645 2.770 0.246 486 HZ PHE 63 HZ PHE 63 13.883 1.860 2.404 487 H GLY 64 HN GLY 64 10.765 7.180 -2.693 488 HA2 GLY 64 HA2 GLY 64 8.862 8.241 -3.626 489 HA3 GLY 64 HA1 GLY 64 8.671 9.207 -2.168 490 H ALA 65 HN ALA 65 9.085 9.776 -5.188 491 HA ALA 65 HA ALA 65 11.241 11.793 -4.979 492 HB1 ALA 65 HB1 ALA 65 10.840 9.841 -7.286 493 HB2 ALA 65 HB2 ALA 65 12.144 9.777 -6.099 494 HB3 ALA 65 HB3 ALA 65 12.043 11.133 -7.222 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -15.532 -2.670 11.421 2 H2 MET 1 HT2 MET 1 -15.109 -1.033 11.447 3 H3 MET 1 HT3 MET 1 -13.963 -2.206 11.845 4 HA MET 1 HA MET 1 -13.905 -3.038 9.660 5 HB2 MET 1 HB2 MET 1 -15.246 -1.962 7.829 6 HB3 MET 1 HB1 MET 1 -16.226 -2.812 9.012 7 HG2 MET 1 HG2 MET 1 -16.834 -0.663 10.058 8 HG3 MET 1 HG1 MET 1 -15.847 0.189 8.865 9 HE1 MET 1 HE1 MET 1 -18.933 0.847 9.423 10 HE2 MET 1 HE2 MET 1 -19.593 0.991 7.795 11 HE3 MET 1 HE3 MET 1 -18.031 1.715 8.181 12 H ASN 2 HN ASN 2 -12.118 -2.334 8.634 13 HA ASN 2 HA ASN 2 -11.580 0.566 8.335 14 HB2 ASN 2 HB2 ASN 2 -9.125 0.015 8.443 15 HB3 ASN 2 HB1 ASN 2 -9.964 -0.241 9.961 16 HD21 ASN 2 HD21 ASN 2 -8.425 -1.627 10.737 17 HD22 ASN 2 HD22 ASN 2 -8.207 -3.229 10.146 18 H ALA 3 HN ALA 3 -9.895 0.825 6.484 19 HA ALA 3 HA ALA 3 -11.121 0.285 4.083 20 HB1 ALA 3 HB1 ALA 3 -9.449 2.054 4.399 21 HB2 ALA 3 HB2 ALA 3 -9.061 1.059 2.998 22 HB3 ALA 3 HB3 ALA 3 -8.168 0.841 4.507 23 H ILE 4 HN ILE 4 -8.601 -1.545 5.681 24 HA ILE 4 HA ILE 4 -7.905 -3.281 3.528 25 HB ILE 4 HB ILE 4 -7.534 -3.920 6.484 26 HG12 ILE 4 HG12 ILE 4 -5.124 -2.918 6.049 27 HG13 ILE 4 HG11 ILE 4 -5.910 -2.022 4.763 28 HG21 ILE 4 HG21 ILE 4 -5.594 -5.253 5.742 29 HG22 ILE 4 HG22 ILE 4 -5.939 -4.826 4.063 30 HG23 ILE 4 HG23 ILE 4 -7.086 -5.804 4.983 31 HD11 ILE 4 HD11 ILE 4 -6.519 -1.860 7.722 32 HD12 ILE 4 HD12 ILE 4 -7.411 -0.989 6.470 33 HD13 ILE 4 HD13 ILE 4 -5.696 -0.654 6.732 34 H ASP 5 HN ASP 5 -10.093 -3.467 6.283 35 HA ASP 5 HA ASP 5 -10.970 -6.146 6.006 36 HB2 ASP 5 HB2 ASP 5 -11.167 -4.991 8.143 37 HB3 ASP 5 HB1 ASP 5 -12.240 -3.782 7.443 38 H ILE 6 HN ILE 6 -12.221 -3.074 4.840 39 HA ILE 6 HA ILE 6 -14.677 -3.978 3.758 40 HB ILE 6 HB ILE 6 -12.925 -1.582 3.046 41 HG12 ILE 6 HG12 ILE 6 -13.881 -1.507 5.317 42 HG13 ILE 6 HG11 ILE 6 -14.594 -0.264 4.303 43 HG21 ILE 6 HG21 ILE 6 -15.746 -2.148 2.034 44 HG22 ILE 6 HG22 ILE 6 -14.273 -2.107 1.064 45 HG23 ILE 6 HG23 ILE 6 -14.862 -0.630 1.818 46 HD11 ILE 6 HD11 ILE 6 -16.250 -1.279 5.753 47 HD12 ILE 6 HD12 ILE 6 -15.898 -2.872 5.087 48 HD13 ILE 6 HD13 ILE 6 -16.619 -1.626 4.065 49 H ALA 7 HN ALA 7 -11.410 -3.681 2.423 50 HA ALA 7 HA ALA 7 -12.026 -4.440 -0.252 51 HB1 ALA 7 HB1 ALA 7 -9.357 -4.626 1.175 52 HB2 ALA 7 HB2 ALA 7 -9.989 -3.188 0.367 53 HB3 ALA 7 HB3 ALA 7 -9.624 -4.643 -0.572 54 H ILE 8 HN ILE 8 -11.343 -6.307 2.648 55 HA ILE 8 HA ILE 8 -10.961 -8.884 1.508 56 HB ILE 8 HB ILE 8 -12.299 -8.194 4.177 57 HG12 ILE 8 HG12 ILE 8 -9.365 -8.876 3.649 58 HG13 ILE 8 HG11 ILE 8 -9.979 -7.257 3.943 59 HG21 ILE 8 HG21 ILE 8 -11.691 -10.480 4.897 60 HG22 ILE 8 HG22 ILE 8 -11.038 -10.825 3.293 61 HG23 ILE 8 HG23 ILE 8 -12.762 -10.519 3.499 62 HD11 ILE 8 HD11 ILE 8 -10.040 -9.547 5.894 63 HD12 ILE 8 HD12 ILE 8 -10.658 -7.919 6.193 64 HD13 ILE 8 HD13 ILE 8 -8.936 -8.174 5.912 65 H ASN 9 HN ASN 9 -13.882 -7.161 2.612 66 HA ASN 9 HA ASN 9 -15.755 -9.210 1.899 67 HB2 ASN 9 HB2 ASN 9 -16.176 -6.247 2.482 68 HB3 ASN 9 HB1 ASN 9 -17.494 -7.390 2.241 69 HD21 ASN 9 HD21 ASN 9 -15.143 -6.185 4.452 70 HD22 ASN 9 HD22 ASN 9 -15.590 -7.149 5.815 71 H LYS 10 HN LYS 10 -14.350 -6.484 0.179 72 HA LYS 10 HA LYS 10 -16.300 -6.341 -1.917 73 HB2 LYS 10 HB2 LYS 10 -14.860 -4.404 -1.187 74 HB3 LYS 10 HB1 LYS 10 -13.460 -5.178 -1.913 75 HG2 LYS 10 HG2 LYS 10 -15.898 -4.551 -3.612 76 HG3 LYS 10 HG1 LYS 10 -14.758 -3.272 -3.197 77 HD2 LYS 10 HD2 LYS 10 -12.916 -4.647 -4.197 78 HD3 LYS 10 HD1 LYS 10 -14.117 -5.834 -4.707 79 HE2 LYS 10 HE2 LYS 10 -14.064 -2.929 -5.600 80 HE3 LYS 10 HE1 LYS 10 -13.418 -4.280 -6.530 81 HZ1 LYS 10 HZ1 LYS 10 -16.250 -3.960 -5.714 82 HZ2 LYS 10 HZ2 LYS 10 -15.617 -5.226 -6.637 83 HZ3 LYS 10 HZ3 LYS 10 -15.626 -3.653 -7.254 84 H LEU 11 HN LEU 11 -12.995 -7.705 -1.703 85 HA LEU 11 HA LEU 11 -13.202 -8.907 -4.336 86 HB2 LEU 11 HB2 LEU 11 -11.061 -9.355 -2.228 87 HB3 LEU 11 HB1 LEU 11 -10.993 -9.882 -3.902 88 HG LEU 11 HG LEU 11 -10.702 -7.074 -2.794 89 HD11 LEU 11 HD11 LEU 11 -8.646 -7.063 -4.163 90 HD12 LEU 11 HD12 LEU 11 -8.995 -8.710 -4.696 91 HD13 LEU 11 HD13 LEU 11 -8.664 -8.380 -2.997 92 HD21 LEU 11 HD21 LEU 11 -10.777 -6.122 -5.036 93 HD22 LEU 11 HD22 LEU 11 -12.321 -6.858 -4.627 94 HD23 LEU 11 HD23 LEU 11 -11.220 -7.694 -5.722 95 H GLY 12 HN GLY 12 -14.059 -9.823 -1.136 96 HA2 GLY 12 HA2 GLY 12 -15.596 -11.596 -0.743 97 HA3 GLY 12 HA1 GLY 12 -14.920 -12.477 -2.105 98 H SER 13 HN SER 13 -12.129 -11.623 -0.845 99 HA SER 13 HA SER 13 -11.961 -13.226 1.541 100 HB2 SER 13 HB2 SER 13 -10.501 -15.011 0.576 101 HB3 SER 13 HB1 SER 13 -12.119 -15.036 -0.117 102 HG SER 13 HG SER 13 -11.254 -13.813 -1.893 103 H VAL 14 HN VAL 14 -9.810 -13.406 2.398 104 HA VAL 14 HA VAL 14 -8.101 -11.121 1.952 105 HB VAL 14 HB VAL 14 -8.027 -13.495 3.863 106 HG11 VAL 14 HG11 VAL 14 -5.867 -11.362 3.663 107 HG12 VAL 14 HG12 VAL 14 -5.669 -13.082 3.339 108 HG13 VAL 14 HG13 VAL 14 -6.028 -12.536 4.974 109 HG21 VAL 14 HG21 VAL 14 -8.236 -11.701 5.571 110 HG22 VAL 14 HG22 VAL 14 -9.568 -11.705 4.419 111 HG23 VAL 14 HG23 VAL 14 -8.281 -10.499 4.267 112 H SER 15 HN SER 15 -8.141 -14.512 1.058 113 HA SER 15 HA SER 15 -5.430 -14.806 0.329 114 HB2 SER 15 HB2 SER 15 -6.277 -16.839 -0.930 115 HB3 SER 15 HB1 SER 15 -6.765 -16.771 0.765 116 HG SER 15 HG SER 15 -8.296 -16.570 -1.537 117 H ALA 16 HN ALA 16 -8.335 -13.889 -1.522 118 HA ALA 16 HA ALA 16 -6.983 -13.426 -4.027 119 HB1 ALA 16 HB1 ALA 16 -9.663 -12.351 -3.067 120 HB2 ALA 16 HB2 ALA 16 -9.413 -13.866 -3.937 121 HB3 ALA 16 HB3 ALA 16 -9.075 -12.326 -4.729 122 H LEU 17 HN LEU 17 -7.849 -11.421 -1.231 123 HA LEU 17 HA LEU 17 -7.221 -8.884 -2.308 124 HB2 LEU 17 HB2 LEU 17 -8.585 -9.209 -0.259 125 HB3 LEU 17 HB1 LEU 17 -7.163 -9.786 0.599 126 HG LEU 17 HG LEU 17 -6.108 -7.582 0.383 127 HD11 LEU 17 HD11 LEU 17 -7.340 -5.620 -0.457 128 HD12 LEU 17 HD12 LEU 17 -8.665 -6.665 -0.976 129 HD13 LEU 17 HD13 LEU 17 -7.073 -6.812 -1.725 130 HD21 LEU 17 HD21 LEU 17 -8.873 -7.406 1.591 131 HD22 LEU 17 HD22 LEU 17 -7.509 -6.333 1.938 132 HD23 LEU 17 HD23 LEU 17 -7.416 -8.044 2.364 133 H ALA 18 HN ALA 18 -5.295 -11.290 -0.700 134 HA ALA 18 HA ALA 18 -2.993 -9.679 -0.178 135 HB1 ALA 18 HB1 ALA 18 -3.618 -11.607 1.214 136 HB2 ALA 18 HB2 ALA 18 -1.985 -11.789 0.563 137 HB3 ALA 18 HB3 ALA 18 -3.324 -12.698 -0.149 138 H ALA 19 HN ALA 19 -3.879 -12.137 -2.598 139 HA ALA 19 HA ALA 19 -1.517 -12.176 -4.133 140 HB1 ALA 19 HB1 ALA 19 -2.941 -13.061 -5.954 141 HB2 ALA 19 HB2 ALA 19 -4.389 -12.571 -5.069 142 HB3 ALA 19 HB3 ALA 19 -3.335 -13.819 -4.407 143 H ALA 20 HN ALA 20 -4.338 -10.051 -4.209 144 HA ALA 20 HA ALA 20 -3.679 -8.504 -6.509 145 HB1 ALA 20 HB1 ALA 20 -5.501 -7.803 -4.185 146 HB2 ALA 20 HB2 ALA 20 -5.977 -8.680 -5.641 147 HB3 ALA 20 HB3 ALA 20 -5.468 -6.991 -5.749 148 H LEU 21 HN LEU 21 -2.851 -8.237 -3.102 149 HA LEU 21 HA LEU 21 -1.625 -5.576 -3.440 150 HB2 LEU 21 HB2 LEU 21 -2.306 -7.232 -0.989 151 HB3 LEU 21 HB1 LEU 21 -1.453 -5.694 -0.901 152 HG LEU 21 HG LEU 21 -4.222 -5.999 -2.137 153 HD11 LEU 21 HD11 LEU 21 -3.542 -5.133 0.678 154 HD12 LEU 21 HD12 LEU 21 -4.444 -6.570 0.181 155 HD13 LEU 21 HD13 LEU 21 -5.131 -4.968 -0.089 156 HD21 LEU 21 HD21 LEU 21 -2.704 -3.528 -1.275 157 HD22 LEU 21 HD22 LEU 21 -4.339 -3.565 -1.943 158 HD23 LEU 21 HD23 LEU 21 -2.971 -4.062 -2.935 159 H GLY 22 HN GLY 22 -0.674 -8.691 -3.812 160 HA2 GLY 22 HA2 GLY 22 1.402 -9.536 -4.384 161 HA3 GLY 22 HA1 GLY 22 2.101 -7.961 -4.044 162 H VAL 23 HN VAL 23 0.256 -9.342 -1.517 163 HA VAL 23 HA VAL 23 2.661 -10.153 0.008 164 HB VAL 23 HB VAL 23 1.502 -9.299 2.045 165 HG11 VAL 23 HG11 VAL 23 3.129 -7.836 0.947 166 HG12 VAL 23 HG12 VAL 23 1.816 -6.883 1.642 167 HG13 VAL 23 HG13 VAL 23 1.865 -7.172 -0.098 168 HG21 VAL 23 HG21 VAL 23 -0.593 -8.187 0.127 169 HG22 VAL 23 HG22 VAL 23 -0.500 -7.852 1.856 170 HG23 VAL 23 HG23 VAL 23 -0.846 -9.486 1.299 171 H ASN 24 HN ASN 24 1.800 -11.439 2.111 172 HA ASN 24 HA ASN 24 0.020 -13.585 1.147 173 HB2 ASN 24 HB2 ASN 24 0.908 -14.979 2.893 174 HB3 ASN 24 HB1 ASN 24 2.260 -14.201 2.094 175 HD21 ASN 24 HD21 ASN 24 2.159 -15.420 4.701 176 HD22 ASN 24 HD22 ASN 24 2.611 -14.200 5.838 177 H GLN 25 HN GLN 25 -1.254 -14.622 3.072 178 HA GLN 25 HA GLN 25 -3.386 -12.821 3.632 179 HB2 GLN 25 HB2 GLN 25 -2.894 -15.639 4.701 180 HB3 GLN 25 HB1 GLN 25 -4.372 -14.733 4.960 181 HG2 GLN 25 HG2 GLN 25 -4.797 -16.298 3.232 182 HG3 GLN 25 HG1 GLN 25 -4.728 -14.705 2.479 183 HE21 GLN 25 HE21 GLN 25 -3.035 -14.254 1.051 184 HE22 GLN 25 HE22 GLN 25 -1.988 -15.471 0.426 185 H SER 26 HN SER 26 -0.632 -13.880 5.502 186 HA SER 26 HA SER 26 -1.475 -13.115 8.108 187 HB2 SER 26 HB2 SER 26 1.392 -13.211 7.077 188 HB3 SER 26 HB1 SER 26 0.841 -13.442 8.739 189 HG SER 26 HG SER 26 -0.424 -15.269 7.629 190 H ALA 27 HN ALA 27 0.249 -11.431 5.509 191 HA ALA 27 HA ALA 27 0.925 -9.059 6.924 192 HB1 ALA 27 HB1 ALA 27 0.551 -9.443 3.932 193 HB2 ALA 27 HB2 ALA 27 2.046 -9.717 4.833 194 HB3 ALA 27 HB3 ALA 27 1.374 -8.090 4.705 195 H ILE 28 HN ILE 28 -1.814 -9.919 4.822 196 HA ILE 28 HA ILE 28 -3.228 -7.473 4.874 197 HB ILE 28 HB ILE 28 -4.367 -10.303 4.677 198 HG12 ILE 28 HG12 ILE 28 -2.699 -9.802 2.913 199 HG13 ILE 28 HG11 ILE 28 -4.317 -9.992 2.248 200 HG21 ILE 28 HG21 ILE 28 -6.330 -9.262 3.579 201 HG22 ILE 28 HG22 ILE 28 -5.667 -7.659 3.910 202 HG23 ILE 28 HG23 ILE 28 -6.147 -8.714 5.243 203 HD11 ILE 28 HD11 ILE 28 -4.524 -7.555 2.097 204 HD12 ILE 28 HD12 ILE 28 -3.155 -8.176 1.180 205 HD13 ILE 28 HD13 ILE 28 -2.886 -7.389 2.734 206 H SER 29 HN SER 29 -3.504 -10.350 6.912 207 HA SER 29 HA SER 29 -5.588 -9.541 8.604 208 HB2 SER 29 HB2 SER 29 -4.782 -11.876 8.413 209 HB3 SER 29 HB1 SER 29 -3.264 -11.429 9.196 210 HG SER 29 HG SER 29 -4.932 -12.384 10.589 211 H GLN 30 HN GLN 30 -2.126 -8.984 8.716 212 HA GLN 30 HA GLN 30 -1.993 -7.850 11.340 213 HB2 GLN 30 HB2 GLN 30 -0.032 -8.896 10.235 214 HB3 GLN 30 HB1 GLN 30 -0.034 -7.639 9.001 215 HG2 GLN 30 HG2 GLN 30 0.467 -5.953 10.714 216 HG3 GLN 30 HG1 GLN 30 0.449 -7.197 11.964 217 HE21 GLN 30 HE21 GLN 30 2.592 -5.396 11.201 218 HE22 GLN 30 HE22 GLN 30 3.936 -6.384 10.755 219 H TRP 31 HN TRP 31 -2.205 -6.482 8.043 220 HA TRP 31 HA TRP 31 -2.075 -3.735 8.776 221 HB2 TRP 31 HB2 TRP 31 -3.351 -5.021 6.331 222 HB3 TRP 31 HB1 TRP 31 -3.064 -3.293 6.520 223 HD1 TRP 31 HD1 TRP 31 0.031 -4.166 7.838 224 HE1 TRP 31 HE1 TRP 31 1.849 -4.551 6.061 225 HE3 TRP 31 HE3 TRP 31 -2.942 -4.852 3.720 226 HZ2 TRP 31 HZ2 TRP 31 2.007 -5.055 3.294 227 HZ3 TRP 31 HZ3 TRP 31 -1.882 -5.259 1.554 228 HH2 TRP 31 HH2 TRP 31 0.542 -5.361 1.343 229 H ARG 32 HN ARG 32 -4.646 -6.060 8.569 230 HA ARG 32 HA ARG 32 -6.885 -4.293 8.886 231 HB2 ARG 32 HB2 ARG 32 -6.993 -6.588 7.837 232 HB3 ARG 32 HB1 ARG 32 -6.663 -7.297 9.412 233 HG2 ARG 32 HG2 ARG 32 -8.816 -6.086 10.178 234 HG3 ARG 32 HG1 ARG 32 -9.148 -5.862 8.459 235 HD2 ARG 32 HD2 ARG 32 -8.937 -8.352 8.172 236 HD3 ARG 32 HD1 ARG 32 -8.796 -8.498 9.928 237 HE ARG 32 HE ARG 32 -11.152 -7.469 8.480 238 HH11 ARG 32 HH11 ARG 32 -9.808 -9.078 11.288 239 HH12 ARG 32 HH12 ARG 32 -11.357 -9.419 11.987 240 HH21 ARG 32 HH21 ARG 32 -13.184 -7.935 9.383 241 HH22 ARG 32 HH22 ARG 32 -13.282 -8.766 10.902 242 H ALA 33 HN ALA 33 -4.806 -6.213 11.004 243 HA ALA 33 HA ALA 33 -6.235 -5.570 13.422 244 HB1 ALA 33 HB1 ALA 33 -4.966 -7.675 13.226 245 HB2 ALA 33 HB2 ALA 33 -4.367 -6.707 14.570 246 HB3 ALA 33 HB3 ALA 33 -3.456 -6.773 13.056 247 H ARG 34 HN ARG 34 -3.975 -3.984 11.462 248 HA ARG 34 HA ARG 34 -2.759 -2.285 13.501 249 HB2 ARG 34 HB2 ARG 34 -1.559 -3.285 11.505 250 HB3 ARG 34 HB1 ARG 34 -2.471 -2.181 10.477 251 HG2 ARG 34 HG2 ARG 34 -1.352 -0.319 11.233 252 HG3 ARG 34 HG1 ARG 34 -0.968 -1.041 12.790 253 HD2 ARG 34 HD2 ARG 34 1.064 -0.941 11.683 254 HD3 ARG 34 HD1 ARG 34 0.600 -2.619 11.480 255 HE ARG 34 HE ARG 34 -0.337 -1.239 9.260 256 HH11 ARG 34 HH11 ARG 34 2.799 -2.066 10.630 257 HH12 ARG 34 HH12 ARG 34 3.596 -2.060 9.093 258 HH21 ARG 34 HH21 ARG 34 0.726 -1.195 7.280 259 HH22 ARG 34 HH22 ARG 34 2.418 -1.565 7.186 260 H GLY 35 HN GLY 35 -5.187 -2.192 10.990 261 HA2 GLY 35 HA2 GLY 35 -6.953 -0.713 10.668 262 HA3 GLY 35 HA1 GLY 35 -6.245 0.394 11.835 263 H ARG 36 HN ARG 36 -3.729 -0.382 9.853 264 HA ARG 36 HA ARG 36 -4.337 1.401 7.625 265 HB2 ARG 36 HB2 ARG 36 -2.497 2.961 8.056 266 HB3 ARG 36 HB1 ARG 36 -3.609 2.966 9.414 267 HG2 ARG 36 HG2 ARG 36 -2.001 1.433 10.634 268 HG3 ARG 36 HG1 ARG 36 -0.866 1.676 9.305 269 HD2 ARG 36 HD2 ARG 36 -0.955 4.148 9.766 270 HD3 ARG 36 HD1 ARG 36 -1.955 3.803 11.181 271 HE ARG 36 HE ARG 36 0.525 2.348 11.182 272 HH11 ARG 36 HH11 ARG 36 -0.882 5.461 12.041 273 HH12 ARG 36 HH12 ARG 36 0.357 5.827 13.198 274 HH21 ARG 36 HH21 ARG 36 2.069 4.380 13.553 275 HH22 ARG 36 HH22 ARG 36 2.162 2.892 12.673 276 H VAL 37 HN VAL 37 -2.797 1.335 5.948 277 HA VAL 37 HA VAL 37 -1.099 -1.091 5.842 278 HB VAL 37 HB VAL 37 -1.231 -0.835 3.344 279 HG11 VAL 37 HG11 VAL 37 -3.553 -1.577 3.084 280 HG12 VAL 37 HG12 VAL 37 -3.940 -0.978 4.698 281 HG13 VAL 37 HG13 VAL 37 -2.805 -2.314 4.501 282 HG21 VAL 37 HG21 VAL 37 -2.870 0.724 2.329 283 HG22 VAL 37 HG22 VAL 37 -1.603 1.596 3.192 284 HG23 VAL 37 HG23 VAL 37 -3.200 1.418 3.920 285 HA PRO 38 HA PRO 38 2.633 1.439 5.220 286 HB2 PRO 38 HB2 PRO 38 4.085 -0.083 3.461 287 HB3 PRO 38 HB1 PRO 38 3.855 -0.557 5.156 288 HG2 PRO 38 HG2 PRO 38 2.385 -1.524 2.724 289 HG3 PRO 38 HG1 PRO 38 3.051 -2.454 4.088 290 HD2 PRO 38 HD2 PRO 38 0.422 -1.802 3.951 291 HD3 PRO 38 HD1 PRO 38 1.288 -1.931 5.494 292 H ALA 39 HN ALA 39 3.925 2.459 3.435 293 HA ALA 39 HA ALA 39 2.316 4.034 1.785 294 HB1 ALA 39 HB1 ALA 39 4.529 4.720 2.578 295 HB2 ALA 39 HB2 ALA 39 4.452 4.825 0.817 296 HB3 ALA 39 HB3 ALA 39 5.300 3.479 1.583 297 H GLY 40 HN GLY 40 1.860 3.995 -0.424 298 HA2 GLY 40 HA2 GLY 40 1.516 3.287 -2.566 299 HA3 GLY 40 HA1 GLY 40 3.023 2.390 -2.427 300 H ARG 41 HN ARG 41 -0.115 2.010 -0.690 301 HA ARG 41 HA ARG 41 -0.546 -0.587 -1.978 302 HB2 ARG 41 HB2 ARG 41 0.961 -0.875 0.113 303 HB3 ARG 41 HB1 ARG 41 -0.465 -0.481 1.064 304 HG2 ARG 41 HG2 ARG 41 -0.361 -2.841 1.040 305 HG3 ARG 41 HG1 ARG 41 -1.632 -2.431 -0.112 306 HD2 ARG 41 HD2 ARG 41 1.233 -3.159 -0.840 307 HD3 ARG 41 HD1 ARG 41 -0.146 -4.255 -0.912 308 HE ARG 41 HE ARG 41 -0.923 -2.209 -2.558 309 HH11 ARG 41 HH11 ARG 41 1.971 -4.250 -2.474 310 HH12 ARG 41 HH12 ARG 41 2.247 -4.134 -4.181 311 HH21 ARG 41 HH21 ARG 41 0.856 -2.903 -5.491 312 HH22 ARG 41 HH22 ARG 41 -0.494 -2.062 -4.803 313 H CYS 42 HN CYS 42 -1.740 1.972 0.113 314 HA CYS 42 HA CYS 42 -4.453 1.143 0.296 315 HB2 CYS 42 HB2 CYS 42 -3.775 2.920 1.734 316 HB3 CYS 42 HB1 CYS 42 -3.176 3.887 0.390 317 H ILE 43 HN ILE 43 -2.592 2.518 -2.292 318 HA ILE 43 HA ILE 43 -4.365 3.665 -4.048 319 HB ILE 43 HB ILE 43 -2.164 1.656 -4.765 320 HG12 ILE 43 HG12 ILE 43 -2.006 4.701 -4.490 321 HG13 ILE 43 HG11 ILE 43 -1.342 3.543 -3.344 322 HG21 ILE 43 HG21 ILE 43 -3.443 3.805 -6.504 323 HG22 ILE 43 HG22 ILE 43 -3.653 2.065 -6.684 324 HG23 ILE 43 HG23 ILE 43 -2.074 2.790 -6.976 325 HD11 ILE 43 HD11 ILE 43 0.392 4.488 -4.724 326 HD12 ILE 43 HD12 ILE 43 -0.438 3.967 -6.189 327 HD13 ILE 43 HD13 ILE 43 0.225 2.767 -5.076 328 H ASP 44 HN ASP 44 -3.698 0.191 -3.644 329 HA ASP 44 HA ASP 44 -5.599 -0.657 -5.647 330 HB2 ASP 44 HB2 ASP 44 -4.430 -2.516 -3.559 331 HB3 ASP 44 HB1 ASP 44 -4.839 -2.851 -5.236 332 H ILE 45 HN ILE 45 -5.421 -0.756 -2.093 333 HA ILE 45 HA ILE 45 -7.928 -1.966 -1.617 334 HB ILE 45 HB ILE 45 -6.176 -0.217 0.163 335 HG12 ILE 45 HG12 ILE 45 -6.697 -3.234 0.047 336 HG13 ILE 45 HG11 ILE 45 -5.194 -2.399 -0.343 337 HG21 ILE 45 HG21 ILE 45 -8.501 0.027 0.948 338 HG22 ILE 45 HG22 ILE 45 -7.525 -0.881 2.101 339 HG23 ILE 45 HG23 ILE 45 -8.656 -1.730 1.045 340 HD11 ILE 45 HD11 ILE 45 -4.967 -3.481 1.775 341 HD12 ILE 45 HD12 ILE 45 -6.440 -2.736 2.395 342 HD13 ILE 45 HD13 ILE 45 -5.017 -1.742 2.059 343 H GLU 46 HN GLU 46 -7.149 1.312 -2.490 344 HA GLU 46 HA GLU 46 -9.549 2.581 -1.572 345 HB2 GLU 46 HB2 GLU 46 -7.325 3.739 -2.033 346 HB3 GLU 46 HB1 GLU 46 -7.659 3.582 -3.749 347 HG2 GLU 46 HG2 GLU 46 -9.552 5.019 -1.878 348 HG3 GLU 46 HG1 GLU 46 -8.148 5.832 -2.557 349 H LEU 47 HN LEU 47 -8.405 1.221 -4.658 350 HA LEU 47 HA LEU 47 -10.630 1.523 -6.318 351 HB2 LEU 47 HB2 LEU 47 -8.773 -0.861 -5.981 352 HB3 LEU 47 HB1 LEU 47 -9.943 -0.759 -7.276 353 HG LEU 47 HG LEU 47 -7.761 1.332 -6.958 354 HD11 LEU 47 HD11 LEU 47 -7.571 -1.242 -8.574 355 HD12 LEU 47 HD12 LEU 47 -6.653 -0.868 -7.116 356 HD13 LEU 47 HD13 LEU 47 -6.398 0.082 -8.575 357 HD21 LEU 47 HD21 LEU 47 -9.428 0.421 -9.331 358 HD22 LEU 47 HD22 LEU 47 -8.203 1.700 -9.359 359 HD23 LEU 47 HD23 LEU 47 -9.668 1.907 -8.403 360 H TYR 48 HN TYR 48 -10.135 -0.633 -3.581 361 HA TYR 48 HA TYR 48 -12.630 -2.117 -4.098 362 HB2 TYR 48 HB2 TYR 48 -10.679 -2.682 -1.838 363 HB3 TYR 48 HB1 TYR 48 -11.842 -3.785 -2.581 364 HD1 TYR 48 HD1 TYR 48 -8.742 -4.134 -2.098 365 HD2 TYR 48 HD2 TYR 48 -11.016 -3.024 -5.543 366 HE1 TYR 48 HE1 TYR 48 -6.944 -4.955 -3.556 367 HE2 TYR 48 HE2 TYR 48 -9.215 -3.816 -7.003 368 HH TYR 48 HH TYR 48 -6.665 -5.756 -5.858 369 H THR 49 HN THR 49 -11.797 0.654 -2.346 370 HA THR 49 HA THR 49 -14.004 0.279 -0.365 371 HB THR 49 HB THR 49 -12.828 1.957 1.090 372 HG1 THR 49 HG1 THR 49 -10.480 1.637 -0.427 373 HG21 THR 49 HG21 THR 49 -12.429 -0.430 1.523 374 HG22 THR 49 HG22 THR 49 -10.978 0.511 1.851 375 HG23 THR 49 HG23 THR 49 -11.094 -0.439 0.369 376 H ASP 50 HN ASP 50 -14.492 1.102 -2.964 377 HA ASP 50 HA ASP 50 -14.410 3.490 -4.038 378 HB2 ASP 50 HB2 ASP 50 -16.935 1.834 -3.763 379 HB3 ASP 50 HB1 ASP 50 -16.789 3.183 -4.888 380 H GLY 51 HN GLY 51 -17.040 2.849 -1.698 381 HA2 GLY 51 HA2 GLY 51 -16.900 5.615 -0.720 382 HA3 GLY 51 HA1 GLY 51 -18.408 5.112 -1.477 383 H ARG 52 HN ARG 52 -16.410 2.933 0.419 384 HA ARG 52 HA ARG 52 -18.539 2.728 2.449 385 HB2 ARG 52 HB2 ARG 52 -16.009 1.050 2.147 386 HB3 ARG 52 HB1 ARG 52 -17.263 0.795 3.351 387 HG2 ARG 52 HG2 ARG 52 -17.676 -0.838 1.716 388 HG3 ARG 52 HG1 ARG 52 -18.880 0.407 1.387 389 HD2 ARG 52 HD2 ARG 52 -17.559 1.241 -0.483 390 HD3 ARG 52 HD1 ARG 52 -16.239 0.131 -0.095 391 HE ARG 52 HE ARG 52 -18.759 -1.180 -0.622 392 HH11 ARG 52 HH11 ARG 52 -15.854 0.098 -2.147 393 HH12 ARG 52 HH12 ARG 52 -16.002 -0.900 -3.554 394 HH21 ARG 52 HH21 ARG 52 -17.750 -2.391 -3.711 395 HH22 ARG 52 HH22 ARG 52 -18.910 -2.519 -2.430 396 H VAL 53 HN VAL 53 -15.028 3.261 2.257 397 HA VAL 53 HA VAL 53 -15.035 5.009 4.586 398 HB VAL 53 HB VAL 53 -14.732 2.767 5.617 399 HG11 VAL 53 HG11 VAL 53 -13.815 1.556 3.690 400 HG12 VAL 53 HG12 VAL 53 -12.796 1.335 5.110 401 HG13 VAL 53 HG13 VAL 53 -12.292 2.442 3.829 402 HG21 VAL 53 HG21 VAL 53 -13.552 4.668 6.667 403 HG22 VAL 53 HG22 VAL 53 -12.131 4.366 5.664 404 HG23 VAL 53 HG23 VAL 53 -12.632 3.177 6.871 405 H GLU 54 HN GLU 54 -13.223 6.367 4.620 406 HA GLU 54 HA GLU 54 -11.755 6.833 2.212 407 HB2 GLU 54 HB2 GLU 54 -11.137 7.857 5.023 408 HB3 GLU 54 HB1 GLU 54 -10.599 8.569 3.503 409 HG2 GLU 54 HG2 GLU 54 -12.873 9.235 2.967 410 HG3 GLU 54 HG1 GLU 54 -13.496 8.394 4.380 411 H CYS 55 HN CYS 55 -10.325 5.272 1.571 412 HA CYS 55 HA CYS 55 -8.658 3.771 3.363 413 HB2 CYS 55 HB2 CYS 55 -9.258 2.837 1.189 414 HB3 CYS 55 HB1 CYS 55 -8.501 4.188 0.351 415 H ARG 56 HN ARG 56 -6.585 4.202 4.042 416 HA ARG 56 HA ARG 56 -5.020 6.319 2.761 417 HB2 ARG 56 HB2 ARG 56 -4.371 7.373 4.913 418 HB3 ARG 56 HB1 ARG 56 -6.068 7.593 4.536 419 HG2 ARG 56 HG2 ARG 56 -5.292 5.335 6.373 420 HG3 ARG 56 HG1 ARG 56 -5.264 6.985 6.993 421 HD2 ARG 56 HD2 ARG 56 -7.690 5.688 5.692 422 HD3 ARG 56 HD1 ARG 56 -7.420 5.787 7.436 423 HE ARG 56 HE ARG 56 -7.254 8.365 6.262 424 HH11 ARG 56 HH11 ARG 56 -9.691 5.976 7.128 425 HH12 ARG 56 HH12 ARG 56 -10.940 7.160 7.333 426 HH21 ARG 56 HH21 ARG 56 -10.491 9.393 6.991 427 HH22 ARG 56 HH22 ARG 56 -8.896 9.892 6.526 428 H GLU 57 HN GLU 57 -2.877 6.057 2.862 429 HA GLU 57 HA GLU 57 -1.752 3.632 4.159 430 HB2 GLU 57 HB2 GLU 57 0.062 3.832 2.363 431 HB3 GLU 57 HB1 GLU 57 -1.527 3.379 1.767 432 HG2 GLU 57 HG2 GLU 57 -1.920 5.755 1.109 433 HG3 GLU 57 HG1 GLU 57 -0.270 6.126 1.622 434 H LEU 58 HN LEU 58 0.548 3.877 4.771 435 HA LEU 58 HA LEU 58 1.102 6.327 6.148 436 HB2 LEU 58 HB2 LEU 58 2.724 3.795 5.717 437 HB3 LEU 58 HB1 LEU 58 3.321 5.155 6.664 438 HG LEU 58 HG LEU 58 0.729 3.691 7.307 439 HD11 LEU 58 HD11 LEU 58 1.888 2.531 9.115 440 HD12 LEU 58 HD12 LEU 58 3.426 3.240 8.610 441 HD13 LEU 58 HD13 LEU 58 2.583 2.110 7.550 442 HD21 LEU 58 HD21 LEU 58 2.354 5.694 8.919 443 HD22 LEU 58 HD22 LEU 58 0.925 4.838 9.503 444 HD23 LEU 58 HD23 LEU 58 0.782 5.972 8.164 445 H ARG 59 HN ARG 59 2.786 7.796 5.737 446 HA ARG 59 HA ARG 59 3.118 8.506 3.020 447 HB2 ARG 59 HB2 ARG 59 4.313 10.444 3.751 448 HB3 ARG 59 HB1 ARG 59 3.008 10.178 4.916 449 HG2 ARG 59 HG2 ARG 59 5.941 9.477 5.338 450 HG3 ARG 59 HG1 ARG 59 5.118 10.878 6.020 451 HD2 ARG 59 HD2 ARG 59 3.748 9.453 7.421 452 HD3 ARG 59 HD1 ARG 59 4.332 8.002 6.612 453 HE ARG 59 HE ARG 59 5.761 9.620 8.587 454 HH11 ARG 59 HH11 ARG 59 7.206 6.108 7.251 455 HH12 ARG 59 HH12 ARG 59 5.857 6.826 6.432 456 HH21 ARG 59 HH21 ARG 59 8.110 7.119 9.095 457 HH22 ARG 59 HH22 ARG 59 7.448 8.608 9.688 458 HA PRO 60 HA PRO 60 6.805 6.401 1.872 459 HB2 PRO 60 HB2 PRO 60 8.047 8.159 0.187 460 HB3 PRO 60 HB1 PRO 60 6.541 7.323 -0.249 461 HG2 PRO 60 HG2 PRO 60 6.916 10.107 0.804 462 HG3 PRO 60 HG1 PRO 60 5.911 9.518 -0.526 463 HD2 PRO 60 HD2 PRO 60 4.855 10.031 1.937 464 HD3 PRO 60 HD1 PRO 60 4.231 8.737 0.872 465 H ASP 61 HN ASP 61 8.304 6.017 3.251 466 HA ASP 61 HA ASP 61 9.540 7.901 5.043 467 HB2 ASP 61 HB2 ASP 61 8.979 5.596 5.754 468 HB3 ASP 61 HB1 ASP 61 10.105 4.940 4.573 469 H VAL 62 HN VAL 62 11.038 5.571 2.788 470 HA VAL 62 HA VAL 62 12.770 7.709 1.670 471 HB VAL 62 HB VAL 62 13.574 4.760 1.986 472 HG11 VAL 62 HG11 VAL 62 15.182 7.071 0.803 473 HG12 VAL 62 HG12 VAL 62 14.453 5.743 -0.097 474 HG13 VAL 62 HG13 VAL 62 15.762 5.415 1.033 475 HG21 VAL 62 HG21 VAL 62 14.726 7.198 3.416 476 HG22 VAL 62 HG22 VAL 62 15.330 5.542 3.542 477 HG23 VAL 62 HG23 VAL 62 13.722 5.940 4.141 478 H PHE 63 HN PHE 63 11.965 8.108 -0.284 479 HA PHE 63 HA PHE 63 11.493 6.041 -2.246 480 HB2 PHE 63 HB2 PHE 63 9.327 6.005 -1.051 481 HB3 PHE 63 HB1 PHE 63 9.158 7.741 -1.262 482 HD1 PHE 63 HD1 PHE 63 9.188 4.482 -3.075 483 HD2 PHE 63 HD2 PHE 63 8.242 8.649 -3.315 484 HE1 PHE 63 HE1 PHE 63 7.989 4.099 -5.186 485 HE2 PHE 63 HE2 PHE 63 7.041 8.250 -5.429 486 HZ PHE 63 HZ PHE 63 6.909 5.974 -6.364 487 H GLY 64 HN GLY 64 11.525 6.848 -4.320 488 HA2 GLY 64 HA2 GLY 64 11.090 9.273 -5.403 489 HA3 GLY 64 HA1 GLY 64 12.701 9.461 -4.711 490 H ALA 65 HN ALA 65 12.061 9.589 -7.470 491 HA ALA 65 HA ALA 65 13.693 7.340 -8.500 492 HB1 ALA 65 HB1 ALA 65 11.364 7.091 -9.255 493 HB2 ALA 65 HB2 ALA 65 12.413 7.479 -10.620 494 HB3 ALA 65 HB3 ALA 65 11.379 8.726 -9.916 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -14.757 -3.489 11.583 2 H2 MET 1 HT2 MET 1 -14.229 -1.927 11.968 3 H3 MET 1 HT3 MET 1 -13.113 -3.120 11.545 4 HA MET 1 HA MET 1 -13.911 -3.230 9.330 5 HB2 MET 1 HB2 MET 1 -15.921 -1.102 10.197 6 HB3 MET 1 HB1 MET 1 -15.662 -1.617 8.534 7 HG2 MET 1 HG2 MET 1 -16.435 -3.867 9.082 8 HG3 MET 1 HG1 MET 1 -16.645 -3.397 10.774 9 HE1 MET 1 HE1 MET 1 -19.031 -4.746 9.141 10 HE2 MET 1 HE2 MET 1 -20.367 -3.706 9.634 11 HE3 MET 1 HE3 MET 1 -19.153 -4.200 10.814 12 H ASN 2 HN ASN 2 -12.552 -2.245 8.022 13 HA ASN 2 HA ASN 2 -11.947 0.572 8.026 14 HB2 ASN 2 HB2 ASN 2 -9.433 0.197 8.168 15 HB3 ASN 2 HB1 ASN 2 -10.297 0.027 9.686 16 HD21 ASN 2 HD21 ASN 2 -8.966 -1.317 10.746 17 HD22 ASN 2 HD22 ASN 2 -8.532 -2.907 10.227 18 H ALA 3 HN ALA 3 -10.254 0.937 6.202 19 HA ALA 3 HA ALA 3 -11.266 0.248 3.782 20 HB1 ALA 3 HB1 ALA 3 -9.629 2.041 4.128 21 HB2 ALA 3 HB2 ALA 3 -9.155 0.998 2.788 22 HB3 ALA 3 HB3 ALA 3 -8.346 0.845 4.351 23 H ILE 4 HN ILE 4 -8.741 -1.460 5.524 24 HA ILE 4 HA ILE 4 -7.967 -3.259 3.459 25 HB ILE 4 HB ILE 4 -7.620 -3.785 6.441 26 HG12 ILE 4 HG12 ILE 4 -5.234 -2.727 6.011 27 HG13 ILE 4 HG11 ILE 4 -6.027 -1.897 4.680 28 HG21 ILE 4 HG21 ILE 4 -5.638 -5.087 5.771 29 HG22 ILE 4 HG22 ILE 4 -5.968 -4.720 4.074 30 HG23 ILE 4 HG23 ILE 4 -7.104 -5.697 5.006 31 HD11 ILE 4 HD11 ILE 4 -5.908 -0.460 6.601 32 HD12 ILE 4 HD12 ILE 4 -6.687 -1.667 7.620 33 HD13 ILE 4 HD13 ILE 4 -7.604 -0.877 6.332 34 H ASP 5 HN ASP 5 -10.117 -3.455 6.253 35 HA ASP 5 HA ASP 5 -10.978 -6.118 6.090 36 HB2 ASP 5 HB2 ASP 5 -11.349 -4.803 8.100 37 HB3 ASP 5 HB1 ASP 5 -12.342 -3.645 7.222 38 H ILE 6 HN ILE 6 -12.414 -3.155 4.803 39 HA ILE 6 HA ILE 6 -14.764 -4.352 3.780 40 HB ILE 6 HB ILE 6 -13.443 -1.691 3.086 41 HG12 ILE 6 HG12 ILE 6 -14.116 -1.849 5.463 42 HG13 ILE 6 HG11 ILE 6 -15.110 -0.680 4.612 43 HG21 ILE 6 HG21 ILE 6 -14.929 -2.342 1.255 44 HG22 ILE 6 HG22 ILE 6 -15.642 -1.011 2.159 45 HG23 ILE 6 HG23 ILE 6 -16.249 -2.651 2.388 46 HD11 ILE 6 HD11 ILE 6 -16.940 -2.322 4.533 47 HD12 ILE 6 HD12 ILE 6 -16.426 -1.972 6.182 48 HD13 ILE 6 HD13 ILE 6 -15.930 -3.476 5.408 49 H ALA 7 HN ALA 7 -11.557 -3.733 2.426 50 HA ALA 7 HA ALA 7 -12.162 -4.559 -0.254 51 HB1 ALA 7 HB1 ALA 7 -9.452 -4.454 1.097 52 HB2 ALA 7 HB2 ALA 7 -10.232 -3.106 0.266 53 HB3 ALA 7 HB3 ALA 7 -9.763 -4.552 -0.641 54 H ILE 8 HN ILE 8 -11.130 -6.297 2.674 55 HA ILE 8 HA ILE 8 -10.693 -8.875 1.576 56 HB ILE 8 HB ILE 8 -11.960 -8.163 4.269 57 HG12 ILE 8 HG12 ILE 8 -9.068 -8.960 3.715 58 HG13 ILE 8 HG11 ILE 8 -9.609 -7.300 3.906 59 HG21 ILE 8 HG21 ILE 8 -11.364 -10.454 5.013 60 HG22 ILE 8 HG22 ILE 8 -10.822 -10.841 3.377 61 HG23 ILE 8 HG23 ILE 8 -12.521 -10.476 3.685 62 HD11 ILE 8 HD11 ILE 8 -9.732 -9.455 6.003 63 HD12 ILE 8 HD12 ILE 8 -10.309 -7.799 6.203 64 HD13 ILE 8 HD13 ILE 8 -8.595 -8.111 5.933 65 H ASN 9 HN ASN 9 -13.641 -7.373 2.893 66 HA ASN 9 HA ASN 9 -15.430 -9.475 2.229 67 HB2 ASN 9 HB2 ASN 9 -16.030 -6.545 2.834 68 HB3 ASN 9 HB1 ASN 9 -17.235 -7.828 2.773 69 HD21 ASN 9 HD21 ASN 9 -14.933 -6.217 4.731 70 HD22 ASN 9 HD22 ASN 9 -15.082 -7.201 6.140 71 H LYS 10 HN LYS 10 -14.179 -6.777 0.397 72 HA LYS 10 HA LYS 10 -16.251 -6.725 -1.623 73 HB2 LYS 10 HB2 LYS 10 -14.802 -4.727 -0.916 74 HB3 LYS 10 HB1 LYS 10 -13.476 -5.442 -1.822 75 HG2 LYS 10 HG2 LYS 10 -16.117 -4.843 -3.183 76 HG3 LYS 10 HG1 LYS 10 -14.942 -3.561 -2.897 77 HD2 LYS 10 HD2 LYS 10 -13.240 -4.864 -4.175 78 HD3 LYS 10 HD1 LYS 10 -14.457 -6.098 -4.512 79 HE2 LYS 10 HE2 LYS 10 -14.594 -3.194 -5.384 80 HE3 LYS 10 HE1 LYS 10 -14.151 -4.556 -6.415 81 HZ1 LYS 10 HZ1 LYS 10 -16.346 -5.480 -6.064 82 HZ2 LYS 10 HZ2 LYS 10 -16.444 -3.922 -6.710 83 HZ3 LYS 10 HZ3 LYS 10 -16.767 -4.176 -5.074 84 H LEU 11 HN LEU 11 -12.936 -8.039 -1.370 85 HA LEU 11 HA LEU 11 -13.235 -9.430 -3.943 86 HB2 LEU 11 HB2 LEU 11 -10.865 -9.559 -2.050 87 HB3 LEU 11 HB1 LEU 11 -10.929 -10.158 -3.700 88 HG LEU 11 HG LEU 11 -10.673 -7.308 -2.716 89 HD11 LEU 11 HD11 LEU 11 -8.853 -7.202 -4.368 90 HD12 LEU 11 HD12 LEU 11 -9.192 -8.867 -4.847 91 HD13 LEU 11 HD13 LEU 11 -8.623 -8.514 -3.218 92 HD21 LEU 11 HD21 LEU 11 -11.129 -6.394 -4.921 93 HD22 LEU 11 HD22 LEU 11 -12.559 -7.198 -4.290 94 HD23 LEU 11 HD23 LEU 11 -11.584 -7.991 -5.530 95 H GLY 12 HN GLY 12 -14.365 -9.975 -0.953 96 HA2 GLY 12 HA2 GLY 12 -15.577 -11.761 -0.179 97 HA3 GLY 12 HA1 GLY 12 -15.013 -12.721 -1.535 98 H SER 13 HN SER 13 -12.192 -11.625 -0.227 99 HA SER 13 HA SER 13 -11.832 -13.344 2.014 100 HB2 SER 13 HB2 SER 13 -10.376 -15.056 0.848 101 HB3 SER 13 HB1 SER 13 -12.078 -15.157 0.406 102 HG SER 13 HG SER 13 -11.490 -13.816 -1.453 103 H VAL 14 HN VAL 14 -9.648 -13.466 2.735 104 HA VAL 14 HA VAL 14 -7.940 -11.222 2.100 105 HB VAL 14 HB VAL 14 -7.808 -13.519 4.110 106 HG11 VAL 14 HG11 VAL 14 -5.474 -13.233 3.410 107 HG12 VAL 14 HG12 VAL 14 -5.699 -12.603 5.039 108 HG13 VAL 14 HG13 VAL 14 -5.579 -11.491 3.672 109 HG21 VAL 14 HG21 VAL 14 -9.233 -11.635 4.680 110 HG22 VAL 14 HG22 VAL 14 -7.914 -10.495 4.378 111 HG23 VAL 14 HG23 VAL 14 -7.821 -11.631 5.740 112 H SER 15 HN SER 15 -8.182 -14.594 1.212 113 HA SER 15 HA SER 15 -5.554 -15.003 0.233 114 HB2 SER 15 HB2 SER 15 -6.544 -16.944 -0.978 115 HB3 SER 15 HB1 SER 15 -7.096 -16.877 0.697 116 HG SER 15 HG SER 15 -9.072 -16.552 0.025 117 H ALA 16 HN ALA 16 -8.610 -14.133 -1.450 118 HA ALA 16 HA ALA 16 -7.465 -13.537 -3.970 119 HB1 ALA 16 HB1 ALA 16 -10.026 -12.425 -2.765 120 HB2 ALA 16 HB2 ALA 16 -9.882 -13.928 -3.677 121 HB3 ALA 16 HB3 ALA 16 -9.583 -12.382 -4.473 122 H LEU 17 HN LEU 17 -8.068 -11.513 -1.095 123 HA LEU 17 HA LEU 17 -7.479 -9.020 -2.280 124 HB2 LEU 17 HB2 LEU 17 -8.704 -9.243 -0.132 125 HB3 LEU 17 HB1 LEU 17 -7.224 -9.773 0.658 126 HG LEU 17 HG LEU 17 -6.184 -7.589 0.215 127 HD11 LEU 17 HD11 LEU 17 -7.490 -5.674 -0.647 128 HD12 LEU 17 HD12 LEU 17 -8.849 -6.751 -0.982 129 HD13 LEU 17 HD13 LEU 17 -7.328 -6.946 -1.856 130 HD21 LEU 17 HD21 LEU 17 -8.845 -7.269 1.601 131 HD22 LEU 17 HD22 LEU 17 -7.423 -6.237 1.792 132 HD23 LEU 17 HD23 LEU 17 -7.366 -7.921 2.314 133 H ALA 18 HN ALA 18 -5.424 -11.268 -0.506 134 HA ALA 18 HA ALA 18 -3.094 -9.654 -0.394 135 HB1 ALA 18 HB1 ALA 18 -3.532 -11.479 1.194 136 HB2 ALA 18 HB2 ALA 18 -1.965 -11.685 0.397 137 HB3 ALA 18 HB3 ALA 18 -3.349 -12.662 -0.107 138 H ALA 19 HN ALA 19 -4.238 -12.154 -2.628 139 HA ALA 19 HA ALA 19 -1.940 -12.314 -4.295 140 HB1 ALA 19 HB1 ALA 19 -3.459 -13.394 -5.914 141 HB2 ALA 19 HB2 ALA 19 -4.853 -12.866 -4.967 142 HB3 ALA 19 HB3 ALA 19 -3.715 -14.026 -4.282 143 H ALA 20 HN ALA 20 -4.779 -10.212 -4.267 144 HA ALA 20 HA ALA 20 -4.220 -8.876 -6.773 145 HB1 ALA 20 HB1 ALA 20 -6.181 -8.151 -4.577 146 HB2 ALA 20 HB2 ALA 20 -6.524 -9.188 -5.964 147 HB3 ALA 20 HB3 ALA 20 -6.153 -7.478 -6.209 148 H LEU 21 HN LEU 21 -3.293 -8.414 -3.459 149 HA LEU 21 HA LEU 21 -2.301 -5.678 -3.947 150 HB2 LEU 21 HB2 LEU 21 -2.537 -7.334 -1.417 151 HB3 LEU 21 HB1 LEU 21 -1.792 -5.739 -1.466 152 HG LEU 21 HG LEU 21 -4.692 -6.327 -2.193 153 HD11 LEU 21 HD11 LEU 21 -3.539 -5.120 0.323 154 HD12 LEU 21 HD12 LEU 21 -4.415 -6.648 0.157 155 HD13 LEU 21 HD13 LEU 21 -5.255 -5.122 -0.108 156 HD21 LEU 21 HD21 LEU 21 -3.815 -4.402 -3.418 157 HD22 LEU 21 HD22 LEU 21 -3.257 -3.671 -1.910 158 HD23 LEU 21 HD23 LEU 21 -4.987 -3.889 -2.207 159 H GLY 22 HN GLY 22 -1.223 -8.870 -4.084 160 HA2 GLY 22 HA2 GLY 22 0.800 -9.778 -4.659 161 HA3 GLY 22 HA1 GLY 22 1.419 -8.144 -4.866 162 H VAL 23 HN VAL 23 0.076 -9.663 -1.980 163 HA VAL 23 HA VAL 23 2.672 -9.705 -0.595 164 HB VAL 23 HB VAL 23 1.573 -8.793 1.478 165 HG11 VAL 23 HG11 VAL 23 2.880 -7.246 0.098 166 HG12 VAL 23 HG12 VAL 23 1.509 -6.411 0.834 167 HG13 VAL 23 HG13 VAL 23 1.450 -6.867 -0.871 168 HG21 VAL 23 HG21 VAL 23 -0.801 -8.176 -0.339 169 HG22 VAL 23 HG22 VAL 23 -0.626 -7.644 1.335 170 HG23 VAL 23 HG23 VAL 23 -0.777 -9.361 0.975 171 H ASN 24 HN ASN 24 2.133 -10.764 1.722 172 HA ASN 24 HA ASN 24 0.766 -13.301 1.278 173 HB2 ASN 24 HB2 ASN 24 2.574 -12.213 3.431 174 HB3 ASN 24 HB1 ASN 24 1.523 -13.559 3.841 175 HD21 ASN 24 HD21 ASN 24 1.812 -15.543 2.861 176 HD22 ASN 24 HD22 ASN 24 3.271 -15.957 2.014 177 H GLN 25 HN GLN 25 -0.540 -14.133 3.095 178 HA GLN 25 HA GLN 25 -2.940 -12.519 3.225 179 HB2 GLN 25 HB2 GLN 25 -2.465 -15.348 4.301 180 HB3 GLN 25 HB1 GLN 25 -4.027 -14.569 4.073 181 HG2 GLN 25 HG2 GLN 25 -3.776 -16.086 2.268 182 HG3 GLN 25 HG1 GLN 25 -3.524 -14.476 1.596 183 HE21 GLN 25 HE21 GLN 25 -2.263 -15.106 -0.133 184 HE22 GLN 25 HE22 GLN 25 -0.707 -15.824 0.009 185 H SER 26 HN SER 26 -0.475 -13.784 5.370 186 HA SER 26 HA SER 26 -1.596 -13.062 7.878 187 HB2 SER 26 HB2 SER 26 1.354 -13.301 7.129 188 HB3 SER 26 HB1 SER 26 0.659 -13.463 8.748 189 HG SER 26 HG SER 26 -0.545 -15.290 7.845 190 H ALA 27 HN ALA 27 0.340 -11.301 5.506 191 HA ALA 27 HA ALA 27 0.892 -8.942 6.967 192 HB1 ALA 27 HB1 ALA 27 2.046 -9.515 4.866 193 HB2 ALA 27 HB2 ALA 27 1.334 -7.906 4.774 194 HB3 ALA 27 HB3 ALA 27 0.548 -9.262 3.960 195 H ILE 28 HN ILE 28 -1.827 -9.823 4.846 196 HA ILE 28 HA ILE 28 -3.239 -7.370 4.876 197 HB ILE 28 HB ILE 28 -4.327 -10.203 4.559 198 HG12 ILE 28 HG12 ILE 28 -2.625 -9.656 2.876 199 HG13 ILE 28 HG11 ILE 28 -4.215 -9.751 2.127 200 HG21 ILE 28 HG21 ILE 28 -6.262 -9.165 3.411 201 HG22 ILE 28 HG22 ILE 28 -5.646 -7.563 3.829 202 HG23 ILE 28 HG23 ILE 28 -6.163 -8.675 5.102 203 HD11 ILE 28 HD11 ILE 28 -4.339 -7.288 2.171 204 HD12 ILE 28 HD12 ILE 28 -2.989 -7.905 1.222 205 HD13 ILE 28 HD13 ILE 28 -2.703 -7.245 2.832 206 H SER 29 HN SER 29 -3.484 -10.248 6.909 207 HA SER 29 HA SER 29 -5.596 -9.486 8.593 208 HB2 SER 29 HB2 SER 29 -3.171 -11.206 9.294 209 HB3 SER 29 HB1 SER 29 -4.739 -11.223 10.112 210 HG SER 29 HG SER 29 -4.338 -11.861 7.364 211 H GLN 30 HN GLN 30 -2.138 -8.882 8.729 212 HA GLN 30 HA GLN 30 -2.017 -7.565 11.254 213 HB2 GLN 30 HB2 GLN 30 -0.081 -8.687 10.264 214 HB3 GLN 30 HB1 GLN 30 -0.124 -7.614 8.871 215 HG2 GLN 30 HG2 GLN 30 0.394 -5.702 10.401 216 HG3 GLN 30 HG1 GLN 30 0.572 -6.863 11.721 217 HE21 GLN 30 HE21 GLN 30 1.877 -5.774 8.671 218 HE22 GLN 30 HE22 GLN 30 3.442 -6.480 8.855 219 H TRP 31 HN TRP 31 -2.452 -6.435 7.911 220 HA TRP 31 HA TRP 31 -2.076 -3.651 8.428 221 HB2 TRP 31 HB2 TRP 31 -3.442 -5.073 6.112 222 HB3 TRP 31 HB1 TRP 31 -3.179 -3.332 6.169 223 HD1 TRP 31 HD1 TRP 31 -0.064 -4.516 7.546 224 HE1 TRP 31 HE1 TRP 31 1.731 -4.817 5.729 225 HE3 TRP 31 HE3 TRP 31 -3.057 -4.465 3.399 226 HZ2 TRP 31 HZ2 TRP 31 1.860 -4.999 2.919 227 HZ3 TRP 31 HZ3 TRP 31 -2.029 -4.694 1.197 228 HH2 TRP 31 HH2 TRP 31 0.377 -4.955 0.954 229 H ARG 32 HN ARG 32 -4.870 -5.793 8.369 230 HA ARG 32 HA ARG 32 -6.864 -3.774 8.771 231 HB2 ARG 32 HB2 ARG 32 -7.459 -5.988 7.822 232 HB3 ARG 32 HB1 ARG 32 -6.979 -6.782 9.320 233 HG2 ARG 32 HG2 ARG 32 -8.790 -5.700 10.537 234 HG3 ARG 32 HG1 ARG 32 -9.216 -4.735 9.123 235 HD2 ARG 32 HD2 ARG 32 -10.807 -6.530 9.358 236 HD3 ARG 32 HD1 ARG 32 -9.829 -6.827 7.923 237 HE ARG 32 HE ARG 32 -8.575 -8.268 9.857 238 HH11 ARG 32 HH11 ARG 32 -12.209 -9.825 9.096 239 HH12 ARG 32 HH12 ARG 32 -11.897 -8.163 8.708 240 HH21 ARG 32 HH21 ARG 32 -8.996 -10.447 10.366 241 HH22 ARG 32 HH22 ARG 32 -10.562 -11.127 10.041 242 H ALA 33 HN ALA 33 -4.974 -5.921 10.853 243 HA ALA 33 HA ALA 33 -6.191 -5.112 13.300 244 HB1 ALA 33 HB1 ALA 33 -5.067 -7.290 13.091 245 HB2 ALA 33 HB2 ALA 33 -4.342 -6.345 14.393 246 HB3 ALA 33 HB3 ALA 33 -3.516 -6.483 12.837 247 H ARG 34 HN ARG 34 -3.785 -3.719 11.276 248 HA ARG 34 HA ARG 34 -2.699 -1.856 13.226 249 HB2 ARG 34 HB2 ARG 34 -1.296 -2.714 11.385 250 HB3 ARG 34 HB1 ARG 34 -2.447 -2.121 10.200 251 HG2 ARG 34 HG2 ARG 34 -0.557 -0.672 10.224 252 HG3 ARG 34 HG1 ARG 34 -1.931 0.201 10.884 253 HD2 ARG 34 HD2 ARG 34 0.164 0.632 12.148 254 HD3 ARG 34 HD1 ARG 34 -1.097 -0.091 13.151 255 HE ARG 34 HE ARG 34 0.587 -2.101 12.075 256 HH11 ARG 34 HH11 ARG 34 1.794 -0.453 15.541 257 HH12 ARG 34 HH12 ARG 34 0.633 0.387 14.565 258 HH21 ARG 34 HH21 ARG 34 2.076 -3.194 13.378 259 HH22 ARG 34 HH22 ARG 34 2.612 -2.485 14.866 260 H GLY 35 HN GLY 35 -5.107 -1.967 10.680 261 HA2 GLY 35 HA2 GLY 35 -7.022 -0.671 10.379 262 HA3 GLY 35 HA1 GLY 35 -6.441 0.464 11.590 263 H ARG 36 HN ARG 36 -4.005 -0.236 9.401 264 HA ARG 36 HA ARG 36 -4.537 1.725 7.356 265 HB2 ARG 36 HB2 ARG 36 -4.004 3.251 9.222 266 HB3 ARG 36 HB1 ARG 36 -2.543 2.348 9.592 267 HG2 ARG 36 HG2 ARG 36 -1.515 3.074 7.510 268 HG3 ARG 36 HG1 ARG 36 -3.001 3.885 7.016 269 HD2 ARG 36 HD2 ARG 36 -1.491 4.648 9.539 270 HD3 ARG 36 HD1 ARG 36 -1.129 5.351 7.968 271 HE ARG 36 HE ARG 36 -3.117 6.532 8.005 272 HH11 ARG 36 HH11 ARG 36 -2.889 4.563 10.901 273 HH12 ARG 36 HH12 ARG 36 -4.165 5.406 11.718 274 HH21 ARG 36 HH21 ARG 36 -4.818 7.606 9.069 275 HH22 ARG 36 HH22 ARG 36 -5.264 7.135 10.681 276 H VAL 37 HN VAL 37 -3.127 1.369 5.615 277 HA VAL 37 HA VAL 37 -1.380 -0.984 5.808 278 HB VAL 37 HB VAL 37 -1.261 -0.927 3.366 279 HG11 VAL 37 HG11 VAL 37 -3.644 -1.258 2.821 280 HG12 VAL 37 HG12 VAL 37 -4.097 -0.496 4.348 281 HG13 VAL 37 HG13 VAL 37 -3.200 -2.018 4.350 282 HG21 VAL 37 HG21 VAL 37 -2.433 0.784 2.009 283 HG22 VAL 37 HG22 VAL 37 -1.153 1.504 2.985 284 HG23 VAL 37 HG23 VAL 37 -2.839 1.676 3.477 285 HA PRO 38 HA PRO 38 2.598 1.288 5.575 286 HB2 PRO 38 HB2 PRO 38 3.300 -0.778 3.478 287 HB3 PRO 38 HB1 PRO 38 4.196 -0.296 4.937 288 HG2 PRO 38 HG2 PRO 38 2.900 -2.583 4.905 289 HG3 PRO 38 HG1 PRO 38 2.849 -1.547 6.352 290 HD2 PRO 38 HD2 PRO 38 0.754 -1.901 4.213 291 HD3 PRO 38 HD1 PRO 38 0.562 -1.828 5.980 292 H ALA 39 HN ALA 39 4.038 2.256 3.912 293 HA ALA 39 HA ALA 39 2.694 4.012 2.235 294 HB1 ALA 39 HB1 ALA 39 4.942 4.421 3.146 295 HB2 ALA 39 HB2 ALA 39 4.945 4.607 1.391 296 HB3 ALA 39 HB3 ALA 39 5.614 3.146 2.123 297 H GLY 40 HN GLY 40 1.904 3.821 0.177 298 HA2 GLY 40 HA2 GLY 40 1.793 3.342 -2.066 299 HA3 GLY 40 HA1 GLY 40 3.279 2.422 -1.928 300 H ARG 41 HN ARG 41 -0.094 2.106 -0.712 301 HA ARG 41 HA ARG 41 -0.608 -0.224 -2.328 302 HB2 ARG 41 HB2 ARG 41 0.724 -1.100 -0.291 303 HB3 ARG 41 HB1 ARG 41 -0.653 -0.645 0.698 304 HG2 ARG 41 HG2 ARG 41 -0.950 -2.940 0.334 305 HG3 ARG 41 HG1 ARG 41 -2.048 -2.202 -0.830 306 HD2 ARG 41 HD2 ARG 41 0.738 -3.239 -1.455 307 HD3 ARG 41 HD1 ARG 41 -0.760 -4.113 -1.772 308 HE ARG 41 HE ARG 41 -1.184 -1.853 -3.166 309 HH11 ARG 41 HH11 ARG 41 1.621 -3.983 -3.082 310 HH12 ARG 41 HH12 ARG 41 2.096 -3.623 -4.708 311 HH21 ARG 41 HH21 ARG 41 -0.525 -1.393 -5.311 312 HH22 ARG 41 HH22 ARG 41 0.887 -2.161 -5.970 313 H CYS 42 HN CYS 42 -1.608 2.206 -0.109 314 HA CYS 42 HA CYS 42 -4.252 1.482 0.458 315 HB2 CYS 42 HB2 CYS 42 -3.234 3.269 1.693 316 HB3 CYS 42 HB1 CYS 42 -2.930 4.203 0.234 317 H ILE 43 HN ILE 43 -2.884 2.942 -2.427 318 HA ILE 43 HA ILE 43 -5.132 3.948 -3.744 319 HB ILE 43 HB ILE 43 -2.652 2.603 -4.904 320 HG12 ILE 43 HG12 ILE 43 -3.341 5.556 -4.524 321 HG13 ILE 43 HG11 ILE 43 -2.190 4.640 -3.559 322 HG21 ILE 43 HG21 ILE 43 -4.725 4.273 -6.381 323 HG22 ILE 43 HG22 ILE 43 -4.415 2.550 -6.597 324 HG23 ILE 43 HG23 ILE 43 -3.184 3.722 -7.053 325 HD11 ILE 43 HD11 ILE 43 -1.939 5.326 -6.483 326 HD12 ILE 43 HD12 ILE 43 -0.785 4.356 -5.562 327 HD13 ILE 43 HD13 ILE 43 -1.051 6.049 -5.143 328 H ASP 44 HN ASP 44 -3.856 0.634 -3.667 329 HA ASP 44 HA ASP 44 -5.644 -0.454 -5.632 330 HB2 ASP 44 HB2 ASP 44 -4.054 -1.969 -3.515 331 HB3 ASP 44 HB1 ASP 44 -4.651 -2.599 -5.051 332 H ILE 45 HN ILE 45 -5.441 -0.630 -2.083 333 HA ILE 45 HA ILE 45 -7.804 -2.133 -1.645 334 HB ILE 45 HB ILE 45 -6.172 -0.303 0.160 335 HG12 ILE 45 HG12 ILE 45 -6.506 -3.325 -0.093 336 HG13 ILE 45 HG11 ILE 45 -5.038 -2.376 -0.298 337 HG21 ILE 45 HG21 ILE 45 -8.588 -1.920 1.037 338 HG22 ILE 45 HG22 ILE 45 -8.497 -0.161 0.957 339 HG23 ILE 45 HG23 ILE 45 -7.486 -1.035 2.101 340 HD11 ILE 45 HD11 ILE 45 -4.913 -3.604 1.749 341 HD12 ILE 45 HD12 ILE 45 -6.474 -2.989 2.292 342 HD13 ILE 45 HD13 ILE 45 -5.094 -1.898 2.147 343 H GLU 46 HN GLU 46 -7.248 1.283 -2.192 344 HA GLU 46 HA GLU 46 -9.851 2.227 -1.432 345 HB2 GLU 46 HB2 GLU 46 -7.795 3.667 -1.426 346 HB3 GLU 46 HB1 GLU 46 -7.772 3.598 -3.184 347 HG2 GLU 46 HG2 GLU 46 -10.032 4.660 -3.184 348 HG3 GLU 46 HG1 GLU 46 -9.902 4.835 -1.431 349 H LEU 47 HN LEU 47 -8.358 1.057 -4.389 350 HA LEU 47 HA LEU 47 -10.367 1.608 -6.255 351 HB2 LEU 47 HB2 LEU 47 -7.947 0.120 -6.195 352 HB3 LEU 47 HB1 LEU 47 -9.158 -1.060 -6.649 353 HG LEU 47 HG LEU 47 -8.587 1.544 -8.108 354 HD11 LEU 47 HD11 LEU 47 -7.906 -1.313 -8.877 355 HD12 LEU 47 HD12 LEU 47 -6.768 -0.055 -8.385 356 HD13 LEU 47 HD13 LEU 47 -7.666 0.114 -9.889 357 HD21 LEU 47 HD21 LEU 47 -10.500 -0.698 -8.857 358 HD22 LEU 47 HD22 LEU 47 -10.104 0.697 -9.865 359 HD23 LEU 47 HD23 LEU 47 -10.951 0.929 -8.339 360 H TYR 48 HN TYR 48 -10.072 -0.918 -3.814 361 HA TYR 48 HA TYR 48 -12.543 -2.278 -4.572 362 HB2 TYR 48 HB2 TYR 48 -10.830 -2.818 -2.111 363 HB3 TYR 48 HB1 TYR 48 -11.990 -3.921 -2.869 364 HD1 TYR 48 HD1 TYR 48 -8.745 -3.977 -2.256 365 HD2 TYR 48 HD2 TYR 48 -11.173 -3.677 -5.769 366 HE1 TYR 48 HE1 TYR 48 -6.909 -4.886 -3.611 367 HE2 TYR 48 HE2 TYR 48 -9.331 -4.593 -7.112 368 HH TYR 48 HH TYR 48 -6.911 -4.794 -7.015 369 H THR 49 HN THR 49 -11.443 0.093 -2.241 370 HA THR 49 HA THR 49 -14.113 0.188 -0.987 371 HB THR 49 HB THR 49 -13.131 1.475 0.859 372 HG1 THR 49 HG1 THR 49 -10.517 1.037 -0.115 373 HG21 THR 49 HG21 THR 49 -11.486 -1.012 0.262 374 HG22 THR 49 HG22 THR 49 -13.087 -0.991 1.005 375 HG23 THR 49 HG23 THR 49 -11.720 -0.271 1.851 376 H ASP 50 HN ASP 50 -14.549 0.948 -3.173 377 HA ASP 50 HA ASP 50 -13.887 3.140 -4.569 378 HB2 ASP 50 HB2 ASP 50 -16.780 2.290 -4.112 379 HB3 ASP 50 HB1 ASP 50 -16.163 3.156 -5.520 380 H GLY 51 HN GLY 51 -16.472 3.232 -2.145 381 HA2 GLY 51 HA2 GLY 51 -15.606 5.805 -1.093 382 HA3 GLY 51 HA1 GLY 51 -17.183 5.829 -1.891 383 H ARG 52 HN ARG 52 -15.741 3.176 -0.139 384 HA ARG 52 HA ARG 52 -18.225 2.732 1.313 385 HB2 ARG 52 HB2 ARG 52 -15.699 1.093 1.710 386 HB3 ARG 52 HB1 ARG 52 -17.378 0.577 1.823 387 HG2 ARG 52 HG2 ARG 52 -15.829 1.181 -0.713 388 HG3 ARG 52 HG1 ARG 52 -16.269 -0.415 -0.106 389 HD2 ARG 52 HD2 ARG 52 -18.675 0.192 -0.413 390 HD3 ARG 52 HD1 ARG 52 -18.158 1.729 -1.116 391 HE ARG 52 HE ARG 52 -17.187 0.546 -2.955 392 HH11 ARG 52 HH11 ARG 52 -19.370 -2.703 -2.099 393 HH12 ARG 52 HH12 ARG 52 -19.145 -1.491 -0.878 394 HH21 ARG 52 HH21 ARG 52 -18.420 -2.453 -4.155 395 HH22 ARG 52 HH22 ARG 52 -17.466 -1.048 -4.518 396 H VAL 53 HN VAL 53 -14.806 3.199 2.032 397 HA VAL 53 HA VAL 53 -15.292 4.674 4.477 398 HB VAL 53 HB VAL 53 -15.310 2.298 5.258 399 HG11 VAL 53 HG11 VAL 53 -13.960 1.268 3.503 400 HG12 VAL 53 HG12 VAL 53 -13.319 0.864 5.095 401 HG13 VAL 53 HG13 VAL 53 -12.511 2.083 4.108 402 HG21 VAL 53 HG21 VAL 53 -14.423 4.006 6.807 403 HG22 VAL 53 HG22 VAL 53 -12.795 3.756 6.169 404 HG23 VAL 53 HG23 VAL 53 -13.612 2.458 7.044 405 H GLU 54 HN GLU 54 -13.328 5.735 5.184 406 HA GLU 54 HA GLU 54 -11.597 6.675 3.159 407 HB2 GLU 54 HB2 GLU 54 -10.320 7.690 5.100 408 HB3 GLU 54 HB1 GLU 54 -12.040 8.061 5.088 409 HG2 GLU 54 HG2 GLU 54 -12.437 6.348 6.807 410 HG3 GLU 54 HG1 GLU 54 -10.725 5.939 6.812 411 H CYS 55 HN CYS 55 -9.868 5.716 2.266 412 HA CYS 55 HA CYS 55 -8.451 3.546 3.624 413 HB2 CYS 55 HB2 CYS 55 -8.915 3.230 1.243 414 HB3 CYS 55 HB1 CYS 55 -8.077 4.730 0.844 415 H ARG 56 HN ARG 56 -6.370 3.736 4.428 416 HA ARG 56 HA ARG 56 -4.978 6.326 4.174 417 HB2 ARG 56 HB2 ARG 56 -5.267 4.837 6.820 418 HB3 ARG 56 HB1 ARG 56 -4.308 6.282 6.550 419 HG2 ARG 56 HG2 ARG 56 -6.168 7.175 7.576 420 HG3 ARG 56 HG1 ARG 56 -6.614 7.367 5.882 421 HD2 ARG 56 HD2 ARG 56 -8.514 6.530 7.161 422 HD3 ARG 56 HD1 ARG 56 -7.974 5.289 6.030 423 HE ARG 56 HE ARG 56 -6.977 4.088 7.850 424 HH11 ARG 56 HH11 ARG 56 -9.259 6.060 10.492 425 HH12 ARG 56 HH12 ARG 56 -9.053 6.719 8.904 426 HH21 ARG 56 HH21 ARG 56 -7.270 3.246 9.922 427 HH22 ARG 56 HH22 ARG 56 -8.250 4.086 11.078 428 H GLU 57 HN GLU 57 -2.786 6.200 4.076 429 HA GLU 57 HA GLU 57 -1.468 3.557 4.318 430 HB2 GLU 57 HB2 GLU 57 0.284 4.718 2.685 431 HB3 GLU 57 HB1 GLU 57 -1.154 3.951 2.047 432 HG2 GLU 57 HG2 GLU 57 -0.722 6.069 0.932 433 HG3 GLU 57 HG1 GLU 57 -2.254 6.098 1.792 434 H LEU 58 HN LEU 58 0.789 3.651 4.924 435 HA LEU 58 HA LEU 58 1.429 5.732 6.876 436 HB2 LEU 58 HB2 LEU 58 2.624 3.003 6.297 437 HB3 LEU 58 HB1 LEU 58 3.332 4.116 7.456 438 HG LEU 58 HG LEU 58 0.457 3.186 7.766 439 HD11 LEU 58 HD11 LEU 58 2.881 1.704 8.834 440 HD12 LEU 58 HD12 LEU 58 1.751 1.121 7.611 441 HD13 LEU 58 HD13 LEU 58 1.196 1.377 9.263 442 HD21 LEU 58 HD21 LEU 58 1.143 5.100 9.141 443 HD22 LEU 58 HD22 LEU 58 2.502 4.178 9.786 444 HD23 LEU 58 HD23 LEU 58 0.845 3.689 10.156 445 H ARG 59 HN ARG 59 3.567 6.708 6.834 446 HA ARG 59 HA ARG 59 4.772 6.994 4.187 447 HB2 ARG 59 HB2 ARG 59 6.133 8.775 5.074 448 HB3 ARG 59 HB1 ARG 59 4.480 9.039 5.633 449 HG2 ARG 59 HG2 ARG 59 6.641 7.764 7.346 450 HG3 ARG 59 HG1 ARG 59 6.325 9.498 7.325 451 HD2 ARG 59 HD2 ARG 59 4.053 9.106 8.164 452 HD3 ARG 59 HD1 ARG 59 4.317 7.359 8.102 453 HE ARG 59 HE ARG 59 6.263 8.702 9.736 454 HH11 ARG 59 HH11 ARG 59 2.983 7.441 9.765 455 HH12 ARG 59 HH12 ARG 59 2.966 7.213 11.481 456 HH21 ARG 59 HH21 ARG 59 6.239 8.306 11.987 457 HH22 ARG 59 HH22 ARG 59 4.796 7.693 12.737 458 HA PRO 60 HA PRO 60 8.141 4.066 4.828 459 HB2 PRO 60 HB2 PRO 60 10.426 5.385 4.046 460 HB3 PRO 60 HB1 PRO 60 9.178 4.855 2.898 461 HG2 PRO 60 HG2 PRO 60 9.548 7.573 4.139 462 HG3 PRO 60 HG1 PRO 60 9.303 7.147 2.427 463 HD2 PRO 60 HD2 PRO 60 7.236 7.996 3.910 464 HD3 PRO 60 HD1 PRO 60 7.021 6.675 2.728 465 H ASP 61 HN ASP 61 7.642 6.199 7.143 466 HA ASP 61 HA ASP 61 10.056 5.793 8.734 467 HB2 ASP 61 HB2 ASP 61 8.934 8.010 8.762 468 HB3 ASP 61 HB1 ASP 61 7.442 7.254 9.309 469 H VAL 62 HN VAL 62 6.655 4.850 8.533 470 HA VAL 62 HA VAL 62 7.124 2.578 10.383 471 HB VAL 62 HB VAL 62 4.471 4.025 9.871 472 HG11 VAL 62 HG11 VAL 62 3.533 2.573 11.643 473 HG12 VAL 62 HG12 VAL 62 5.074 1.716 11.759 474 HG13 VAL 62 HG13 VAL 62 4.126 1.630 10.274 475 HG21 VAL 62 HG21 VAL 62 6.190 4.024 12.390 476 HG22 VAL 62 HG22 VAL 62 4.606 4.791 12.218 477 HG23 VAL 62 HG23 VAL 62 5.976 5.381 11.278 478 H PHE 63 HN PHE 63 7.226 0.719 9.229 479 HA PHE 63 HA PHE 63 5.560 0.378 6.800 480 HB2 PHE 63 HB2 PHE 63 7.911 1.077 6.192 481 HB3 PHE 63 HB1 PHE 63 8.519 -0.360 7.004 482 HD1 PHE 63 HD1 PHE 63 6.446 0.819 4.138 483 HD2 PHE 63 HD2 PHE 63 8.514 -2.503 5.870 484 HE1 PHE 63 HE1 PHE 63 6.166 -0.451 2.050 485 HE2 PHE 63 HE2 PHE 63 8.231 -3.759 3.778 486 HZ PHE 63 HZ PHE 63 7.061 -2.738 1.864 487 H GLY 64 HN GLY 64 4.164 -1.013 7.836 488 HA2 GLY 64 HA2 GLY 64 5.194 -3.398 9.250 489 HA3 GLY 64 HA1 GLY 64 3.551 -2.776 9.289 490 H ALA 65 HN ALA 65 5.888 -4.022 6.890 491 HA ALA 65 HA ALA 65 3.949 -6.052 6.027 492 HB1 ALA 65 HB1 ALA 65 4.280 -5.524 3.617 493 HB2 ALA 65 HB2 ALA 65 5.233 -4.104 4.057 494 HB3 ALA 65 HB3 ALA 65 3.524 -4.184 4.479 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -14.431 -2.767 11.584 2 H2 MET 1 HT2 MET 1 -13.341 -3.706 10.700 3 H3 MET 1 HT3 MET 1 -14.975 -4.134 10.752 4 HA MET 1 HA MET 1 -14.425 -3.132 8.655 5 HB2 MET 1 HB2 MET 1 -16.220 -1.447 10.459 6 HB3 MET 1 HB1 MET 1 -16.144 -1.237 8.712 7 HG2 MET 1 HG2 MET 1 -17.031 -3.753 10.157 8 HG3 MET 1 HG1 MET 1 -18.083 -2.586 9.345 9 HE1 MET 1 HE1 MET 1 -18.208 -5.719 6.936 10 HE2 MET 1 HE2 MET 1 -19.173 -4.581 7.876 11 HE3 MET 1 HE3 MET 1 -18.132 -5.745 8.698 12 H ASN 2 HN ASN 2 -12.380 -2.489 8.305 13 HA ASN 2 HA ASN 2 -11.905 0.413 8.382 14 HB2 ASN 2 HB2 ASN 2 -9.437 -0.002 8.736 15 HB3 ASN 2 HB1 ASN 2 -10.425 -0.356 10.142 16 HD21 ASN 2 HD21 ASN 2 -9.241 -1.867 11.134 17 HD22 ASN 2 HD22 ASN 2 -8.729 -3.360 10.440 18 H ALA 3 HN ALA 3 -10.142 0.909 6.706 19 HA ALA 3 HA ALA 3 -10.939 0.469 4.168 20 HB1 ALA 3 HB1 ALA 3 -9.230 2.109 4.838 21 HB2 ALA 3 HB2 ALA 3 -8.706 1.179 3.432 22 HB3 ALA 3 HB3 ALA 3 -8.057 0.802 5.029 23 H ILE 4 HN ILE 4 -8.651 -1.578 5.894 24 HA ILE 4 HA ILE 4 -7.806 -3.152 3.644 25 HB ILE 4 HB ILE 4 -7.470 -3.942 6.566 26 HG12 ILE 4 HG12 ILE 4 -5.124 -2.750 6.307 27 HG13 ILE 4 HG11 ILE 4 -5.927 -1.801 5.069 28 HG21 ILE 4 HG21 ILE 4 -5.742 -4.534 4.148 29 HG22 ILE 4 HG22 ILE 4 -6.857 -5.655 4.929 30 HG23 ILE 4 HG23 ILE 4 -5.435 -5.083 5.800 31 HD11 ILE 4 HD11 ILE 4 -6.641 -1.931 8.004 32 HD12 ILE 4 HD12 ILE 4 -7.551 -1.015 6.799 33 HD13 ILE 4 HD13 ILE 4 -5.872 -0.594 7.152 34 H ASP 5 HN ASP 5 -10.001 -3.500 6.373 35 HA ASP 5 HA ASP 5 -10.816 -6.191 5.994 36 HB2 ASP 5 HB2 ASP 5 -11.011 -5.027 8.168 37 HB3 ASP 5 HB1 ASP 5 -12.205 -3.926 7.488 38 H ILE 6 HN ILE 6 -12.027 -3.118 4.815 39 HA ILE 6 HA ILE 6 -14.534 -4.075 3.789 40 HB ILE 6 HB ILE 6 -12.966 -1.506 3.274 41 HG12 ILE 6 HG12 ILE 6 -13.822 -1.670 5.563 42 HG13 ILE 6 HG11 ILE 6 -14.727 -0.444 4.690 43 HG21 ILE 6 HG21 ILE 6 -14.991 -0.570 2.209 44 HG22 ILE 6 HG22 ILE 6 -15.771 -2.151 2.284 45 HG23 ILE 6 HG23 ILE 6 -14.330 -1.921 1.290 46 HD11 ILE 6 HD11 ILE 6 -16.191 -1.728 6.105 47 HD12 ILE 6 HD12 ILE 6 -15.666 -3.235 5.358 48 HD13 ILE 6 HD13 ILE 6 -16.583 -2.055 4.418 49 H ALA 7 HN ALA 7 -11.267 -3.616 2.485 50 HA ALA 7 HA ALA 7 -11.842 -4.307 -0.212 51 HB1 ALA 7 HB1 ALA 7 -9.228 -4.672 1.283 52 HB2 ALA 7 HB2 ALA 7 -9.747 -3.193 0.467 53 HB3 ALA 7 HB3 ALA 7 -9.449 -4.661 -0.472 54 H ILE 8 HN ILE 8 -11.091 -6.261 2.655 55 HA ILE 8 HA ILE 8 -11.003 -8.850 1.469 56 HB ILE 8 HB ILE 8 -12.033 -8.111 4.264 57 HG12 ILE 8 HG12 ILE 8 -9.209 -8.945 3.470 58 HG13 ILE 8 HG11 ILE 8 -9.702 -7.288 3.766 59 HG21 ILE 8 HG21 ILE 8 -11.460 -10.437 4.909 60 HG22 ILE 8 HG22 ILE 8 -11.017 -10.795 3.240 61 HG23 ILE 8 HG23 ILE 8 -12.688 -10.401 3.643 62 HD11 ILE 8 HD11 ILE 8 -10.193 -7.860 6.096 63 HD12 ILE 8 HD12 ILE 8 -8.518 -8.181 5.650 64 HD13 ILE 8 HD13 ILE 8 -9.661 -9.515 5.788 65 H ASN 9 HN ASN 9 -13.648 -6.867 2.741 66 HA ASN 9 HA ASN 9 -15.772 -8.737 2.366 67 HB2 ASN 9 HB2 ASN 9 -15.896 -5.692 2.619 68 HB3 ASN 9 HB1 ASN 9 -17.264 -6.789 2.798 69 HD21 ASN 9 HD21 ASN 9 -16.145 -4.869 4.725 70 HD22 ASN 9 HD22 ASN 9 -15.711 -5.782 6.125 71 H LYS 10 HN LYS 10 -14.257 -6.349 0.297 72 HA LYS 10 HA LYS 10 -16.410 -6.196 -1.632 73 HB2 LYS 10 HB2 LYS 10 -14.833 -4.289 -1.020 74 HB3 LYS 10 HB1 LYS 10 -13.562 -5.104 -1.910 75 HG2 LYS 10 HG2 LYS 10 -16.164 -4.372 -3.286 76 HG3 LYS 10 HG1 LYS 10 -14.916 -3.156 -3.031 77 HD2 LYS 10 HD2 LYS 10 -13.300 -4.598 -4.281 78 HD3 LYS 10 HD1 LYS 10 -14.611 -5.738 -4.607 79 HE2 LYS 10 HE2 LYS 10 -14.472 -2.852 -5.551 80 HE3 LYS 10 HE1 LYS 10 -14.237 -4.288 -6.546 81 HZ1 LYS 10 HZ1 LYS 10 -16.446 -3.402 -6.828 82 HZ2 LYS 10 HZ2 LYS 10 -16.751 -3.518 -5.168 83 HZ3 LYS 10 HZ3 LYS 10 -16.530 -4.922 -6.086 84 H LEU 11 HN LEU 11 -13.150 -7.695 -1.509 85 HA LEU 11 HA LEU 11 -13.499 -8.948 -4.126 86 HB2 LEU 11 HB2 LEU 11 -11.249 -9.450 -2.140 87 HB3 LEU 11 HB1 LEU 11 -11.282 -9.904 -3.832 88 HG LEU 11 HG LEU 11 -10.821 -7.177 -2.615 89 HD11 LEU 11 HD11 LEU 11 -8.885 -7.134 -4.131 90 HD12 LEU 11 HD12 LEU 11 -9.331 -8.724 -4.757 91 HD13 LEU 11 HD13 LEU 11 -8.860 -8.537 -3.070 92 HD21 LEU 11 HD21 LEU 11 -11.618 -7.579 -5.512 93 HD22 LEU 11 HD22 LEU 11 -11.036 -6.080 -4.774 94 HD23 LEU 11 HD23 LEU 11 -12.572 -6.767 -4.266 95 H GLY 12 HN GLY 12 -14.152 -9.721 -0.840 96 HA2 GLY 12 HA2 GLY 12 -15.661 -11.415 -0.233 97 HA3 GLY 12 HA1 GLY 12 -15.186 -12.368 -1.629 98 H SER 13 HN SER 13 -12.239 -11.700 -0.795 99 HA SER 13 HA SER 13 -11.903 -13.347 1.581 100 HB2 SER 13 HB2 SER 13 -10.494 -15.038 0.374 101 HB3 SER 13 HB1 SER 13 -12.172 -15.053 -0.163 102 HG SER 13 HG SER 13 -11.041 -15.023 -2.014 103 H VAL 14 HN VAL 14 -9.731 -13.514 2.287 104 HA VAL 14 HA VAL 14 -8.001 -11.245 1.754 105 HB VAL 14 HB VAL 14 -7.783 -13.614 3.682 106 HG11 VAL 14 HG11 VAL 14 -5.922 -11.216 3.514 107 HG12 VAL 14 HG12 VAL 14 -5.500 -12.876 3.104 108 HG13 VAL 14 HG13 VAL 14 -5.896 -12.457 4.770 109 HG21 VAL 14 HG21 VAL 14 -8.382 -10.675 4.133 110 HG22 VAL 14 HG22 VAL 14 -8.206 -11.889 5.416 111 HG23 VAL 14 HG23 VAL 14 -9.533 -12.014 4.259 112 H SER 15 HN SER 15 -8.237 -14.612 0.845 113 HA SER 15 HA SER 15 -5.557 -15.039 0.011 114 HB2 SER 15 HB2 SER 15 -6.598 -16.986 -1.254 115 HB3 SER 15 HB1 SER 15 -6.968 -16.934 0.474 116 HG SER 15 HG SER 15 -8.791 -17.306 -1.017 117 H ALA 16 HN ALA 16 -8.503 -13.988 -1.703 118 HA ALA 16 HA ALA 16 -7.201 -13.504 -4.236 119 HB1 ALA 16 HB1 ALA 16 -9.319 -12.444 -4.909 120 HB2 ALA 16 HB2 ALA 16 -9.896 -12.504 -3.242 121 HB3 ALA 16 HB3 ALA 16 -9.619 -14.001 -4.132 122 H LEU 17 HN LEU 17 -7.961 -11.574 -1.359 123 HA LEU 17 HA LEU 17 -7.466 -9.005 -2.418 124 HB2 LEU 17 HB2 LEU 17 -8.645 -9.324 -0.266 125 HB3 LEU 17 HB1 LEU 17 -7.166 -9.935 0.464 126 HG LEU 17 HG LEU 17 -6.089 -7.762 0.235 127 HD11 LEU 17 HD11 LEU 17 -7.290 -5.761 -0.549 128 HD12 LEU 17 HD12 LEU 17 -8.672 -6.758 -1.009 129 HD13 LEU 17 HD13 LEU 17 -7.121 -6.957 -1.831 130 HD21 LEU 17 HD21 LEU 17 -8.791 -7.460 1.547 131 HD22 LEU 17 HD22 LEU 17 -7.362 -6.462 1.839 132 HD23 LEU 17 HD23 LEU 17 -7.345 -8.169 2.272 133 H ALA 18 HN ALA 18 -5.349 -11.144 -0.572 134 HA ALA 18 HA ALA 18 -3.063 -9.463 -0.566 135 HB1 ALA 18 HB1 ALA 18 -3.487 -11.189 1.130 136 HB2 ALA 18 HB2 ALA 18 -1.917 -11.424 0.366 137 HB3 ALA 18 HB3 ALA 18 -3.281 -12.452 -0.085 138 H ALA 19 HN ALA 19 -4.134 -12.111 -2.690 139 HA ALA 19 HA ALA 19 -1.834 -12.366 -4.315 140 HB1 ALA 19 HB1 ALA 19 -3.352 -13.359 -5.989 141 HB2 ALA 19 HB2 ALA 19 -4.750 -12.754 -5.093 142 HB3 ALA 19 HB3 ALA 19 -3.700 -13.973 -4.372 143 H ALA 20 HN ALA 20 -4.629 -10.187 -4.503 144 HA ALA 20 HA ALA 20 -3.920 -8.821 -6.913 145 HB1 ALA 20 HB1 ALA 20 -5.742 -7.929 -4.645 146 HB2 ALA 20 HB2 ALA 20 -6.230 -8.870 -6.055 147 HB3 ALA 20 HB3 ALA 20 -5.671 -7.210 -6.256 148 H LEU 21 HN LEU 21 -3.185 -8.338 -3.508 149 HA LEU 21 HA LEU 21 -1.975 -5.704 -3.880 150 HB2 LEU 21 HB2 LEU 21 -2.348 -7.471 -1.433 151 HB3 LEU 21 HB1 LEU 21 -1.616 -5.874 -1.381 152 HG LEU 21 HG LEU 21 -4.476 -6.445 -2.245 153 HD11 LEU 21 HD11 LEU 21 -3.419 -5.334 0.362 154 HD12 LEU 21 HD12 LEU 21 -4.292 -6.851 0.099 155 HD13 LEU 21 HD13 LEU 21 -5.120 -5.312 -0.134 156 HD21 LEU 21 HD21 LEU 21 -3.586 -4.486 -3.363 157 HD22 LEU 21 HD22 LEU 21 -3.072 -3.800 -1.821 158 HD23 LEU 21 HD23 LEU 21 -4.791 -4.020 -2.166 159 H GLY 22 HN GLY 22 -0.901 -8.888 -4.180 160 HA2 GLY 22 HA2 GLY 22 1.186 -9.793 -4.568 161 HA3 GLY 22 HA1 GLY 22 1.819 -8.154 -4.621 162 H VAL 23 HN VAL 23 0.125 -9.544 -1.901 163 HA VAL 23 HA VAL 23 2.582 -9.781 -0.269 164 HB VAL 23 HB VAL 23 1.345 -8.862 1.690 165 HG11 VAL 23 HG11 VAL 23 2.728 -7.324 0.365 166 HG12 VAL 23 HG12 VAL 23 1.340 -6.489 1.058 167 HG13 VAL 23 HG13 VAL 23 1.340 -6.924 -0.653 168 HG21 VAL 23 HG21 VAL 23 -0.916 -8.254 -0.265 169 HG22 VAL 23 HG22 VAL 23 -0.846 -7.708 1.413 170 HG23 VAL 23 HG23 VAL 23 -0.967 -9.427 1.052 171 H ASN 24 HN ASN 24 1.903 -10.933 1.875 172 HA ASN 24 HA ASN 24 0.532 -13.427 1.295 173 HB2 ASN 24 HB2 ASN 24 2.018 -12.406 3.751 174 HB3 ASN 24 HB1 ASN 24 1.170 -13.946 3.724 175 HD21 ASN 24 HD21 ASN 24 2.802 -15.304 3.905 176 HD22 ASN 24 HD22 ASN 24 4.131 -15.445 2.797 177 H GLN 25 HN GLN 25 -0.977 -14.263 2.837 178 HA GLN 25 HA GLN 25 -3.189 -12.530 3.404 179 HB2 GLN 25 HB2 GLN 25 -2.698 -15.497 3.979 180 HB3 GLN 25 HB1 GLN 25 -4.203 -14.674 4.369 181 HG2 GLN 25 HG2 GLN 25 -4.475 -15.875 2.283 182 HG3 GLN 25 HG1 GLN 25 -4.548 -14.145 1.976 183 HE21 GLN 25 HE21 GLN 25 -3.949 -14.172 -0.161 184 HE22 GLN 25 HE22 GLN 25 -2.391 -14.680 -0.719 185 H SER 26 HN SER 26 -0.483 -13.832 5.159 186 HA SER 26 HA SER 26 -1.237 -13.243 7.825 187 HB2 SER 26 HB2 SER 26 1.546 -13.302 6.573 188 HB3 SER 26 HB1 SER 26 1.185 -13.453 8.289 189 HG SER 26 HG SER 26 -0.256 -15.300 7.257 190 H ALA 27 HN ALA 27 0.295 -11.298 5.276 191 HA ALA 27 HA ALA 27 1.022 -9.018 6.796 192 HB1 ALA 27 HB1 ALA 27 1.952 -9.461 4.559 193 HB2 ALA 27 HB2 ALA 27 1.217 -7.859 4.623 194 HB3 ALA 27 HB3 ALA 27 0.366 -9.190 3.831 195 H ILE 28 HN ILE 28 -1.852 -9.764 4.861 196 HA ILE 28 HA ILE 28 -3.277 -7.353 5.068 197 HB ILE 28 HB ILE 28 -4.430 -10.178 4.867 198 HG12 ILE 28 HG12 ILE 28 -2.790 -9.737 3.083 199 HG13 ILE 28 HG11 ILE 28 -4.418 -9.845 2.425 200 HG21 ILE 28 HG21 ILE 28 -5.704 -7.528 4.093 201 HG22 ILE 28 HG22 ILE 28 -6.187 -8.565 5.440 202 HG23 ILE 28 HG23 ILE 28 -6.386 -9.125 3.781 203 HD11 ILE 28 HD11 ILE 28 -2.860 -7.318 2.930 204 HD12 ILE 28 HD12 ILE 28 -4.515 -7.392 2.316 205 HD13 ILE 28 HD13 ILE 28 -3.191 -8.072 1.372 206 H SER 29 HN SER 29 -3.323 -10.229 7.130 207 HA SER 29 HA SER 29 -5.364 -9.533 8.904 208 HB2 SER 29 HB2 SER 29 -2.872 -11.202 9.435 209 HB3 SER 29 HB1 SER 29 -4.353 -11.228 10.402 210 HG SER 29 HG SER 29 -3.803 -12.456 8.026 211 H GLN 30 HN GLN 30 -1.914 -8.709 8.958 212 HA GLN 30 HA GLN 30 -2.007 -7.432 11.557 213 HB2 GLN 30 HB2 GLN 30 0.192 -7.354 9.450 214 HB3 GLN 30 HB1 GLN 30 0.350 -6.846 11.133 215 HG2 GLN 30 HG2 GLN 30 -0.107 -9.173 11.871 216 HG3 GLN 30 HG1 GLN 30 -0.230 -9.665 10.181 217 HE21 GLN 30 HE21 GLN 30 1.675 -9.671 8.903 218 HE22 GLN 30 HE22 GLN 30 3.242 -9.734 9.629 219 H TRP 31 HN TRP 31 -2.229 -6.332 8.199 220 HA TRP 31 HA TRP 31 -1.970 -3.528 8.675 221 HB2 TRP 31 HB2 TRP 31 -3.400 -5.014 6.434 222 HB3 TRP 31 HB1 TRP 31 -3.115 -3.276 6.446 223 HD1 TRP 31 HD1 TRP 31 0.041 -4.379 7.739 224 HE1 TRP 31 HE1 TRP 31 1.751 -4.764 5.864 225 HE3 TRP 31 HE3 TRP 31 -3.132 -4.574 3.721 226 HZ2 TRP 31 HZ2 TRP 31 1.764 -5.095 3.078 227 HZ3 TRP 31 HZ3 TRP 31 -2.189 -4.911 1.489 228 HH2 TRP 31 HH2 TRP 31 0.210 -5.165 1.179 229 H ARG 32 HN ARG 32 -4.723 -5.711 8.465 230 HA ARG 32 HA ARG 32 -6.805 -3.838 8.904 231 HB2 ARG 32 HB2 ARG 32 -7.357 -5.983 7.917 232 HB3 ARG 32 HB1 ARG 32 -6.645 -6.868 9.265 233 HG2 ARG 32 HG2 ARG 32 -8.436 -6.139 10.748 234 HG3 ARG 32 HG1 ARG 32 -9.110 -5.100 9.490 235 HD2 ARG 32 HD2 ARG 32 -10.373 -7.213 9.770 236 HD3 ARG 32 HD1 ARG 32 -9.707 -7.039 8.146 237 HE ARG 32 HE ARG 32 -7.924 -8.539 9.752 238 HH11 ARG 32 HH11 ARG 32 -10.970 -10.578 8.031 239 HH12 ARG 32 HH12 ARG 32 -11.096 -8.851 8.217 240 HH21 ARG 32 HH21 ARG 32 -7.760 -10.797 9.460 241 HH22 ARG 32 HH22 ARG 32 -9.070 -11.681 8.739 242 H ALA 33 HN ALA 33 -4.955 -5.998 11.037 243 HA ALA 33 HA ALA 33 -6.296 -5.403 13.423 244 HB1 ALA 33 HB1 ALA 33 -4.821 -7.350 13.176 245 HB2 ALA 33 HB2 ALA 33 -4.326 -6.377 14.558 246 HB3 ALA 33 HB3 ALA 33 -3.414 -6.294 13.049 247 H ARG 34 HN ARG 34 -3.616 -3.818 11.780 248 HA ARG 34 HA ARG 34 -2.960 -1.898 13.814 249 HB2 ARG 34 HB2 ARG 34 -1.360 -2.615 12.063 250 HB3 ARG 34 HB1 ARG 34 -2.433 -2.020 10.803 251 HG2 ARG 34 HG2 ARG 34 -0.624 -0.482 11.068 252 HG3 ARG 34 HG1 ARG 34 -2.092 0.287 11.644 253 HD2 ARG 34 HD2 ARG 34 -1.447 -0.042 13.949 254 HD3 ARG 34 HD1 ARG 34 -0.058 -1.029 13.482 255 HE ARG 34 HE ARG 34 -0.335 1.876 12.967 256 HH11 ARG 34 HH11 ARG 34 3.180 0.042 13.647 257 HH12 ARG 34 HH12 ARG 34 1.730 -0.916 13.581 258 HH21 ARG 34 HH21 ARG 34 3.080 2.298 13.385 259 HH22 ARG 34 HH22 ARG 34 1.562 3.089 13.117 260 H GLY 35 HN GLY 35 -5.118 -2.037 11.056 261 HA2 GLY 35 HA2 GLY 35 -7.024 -0.760 10.595 262 HA3 GLY 35 HA1 GLY 35 -6.532 0.411 11.812 263 H ARG 36 HN ARG 36 -4.030 -0.505 9.659 264 HA ARG 36 HA ARG 36 -4.463 1.448 7.605 265 HB2 ARG 36 HB2 ARG 36 -3.869 2.967 9.486 266 HB3 ARG 36 HB1 ARG 36 -2.364 2.096 9.739 267 HG2 ARG 36 HG2 ARG 36 -1.410 2.930 7.731 268 HG3 ARG 36 HG1 ARG 36 -2.975 3.432 7.091 269 HD2 ARG 36 HD2 ARG 36 -1.596 4.694 9.487 270 HD3 ARG 36 HD1 ARG 36 -1.590 5.346 7.842 271 HE ARG 36 HE ARG 36 -4.254 4.915 8.675 272 HH11 ARG 36 HH11 ARG 36 -1.600 7.144 9.310 273 HH12 ARG 36 HH12 ARG 36 -2.659 8.440 9.769 274 HH21 ARG 36 HH21 ARG 36 -5.602 6.605 9.289 275 HH22 ARG 36 HH22 ARG 36 -4.922 8.136 9.755 276 H VAL 37 HN VAL 37 -2.987 1.289 5.936 277 HA VAL 37 HA VAL 37 -1.272 -1.107 5.891 278 HB VAL 37 HB VAL 37 -1.337 -0.868 3.415 279 HG11 VAL 37 HG11 VAL 37 -3.063 -2.203 4.504 280 HG12 VAL 37 HG12 VAL 37 -3.725 -1.395 3.086 281 HG13 VAL 37 HG13 VAL 37 -4.087 -0.779 4.700 282 HG21 VAL 37 HG21 VAL 37 -3.130 1.555 3.889 283 HG22 VAL 37 HG22 VAL 37 -2.805 0.808 2.323 284 HG23 VAL 37 HG23 VAL 37 -1.499 1.586 3.214 285 HA PRO 38 HA PRO 38 2.571 1.380 5.256 286 HB2 PRO 38 HB2 PRO 38 3.885 -0.178 3.399 287 HB3 PRO 38 HB1 PRO 38 3.779 -0.630 5.113 288 HG2 PRO 38 HG2 PRO 38 2.064 -1.560 2.830 289 HG3 PRO 38 HG1 PRO 38 2.873 -2.523 4.094 290 HD2 PRO 38 HD2 PRO 38 0.279 -1.919 4.326 291 HD3 PRO 38 HD1 PRO 38 1.338 -1.895 5.752 292 H ALA 39 HN ALA 39 3.762 2.383 3.396 293 HA ALA 39 HA ALA 39 2.114 4.091 1.976 294 HB1 ALA 39 HB1 ALA 39 4.436 4.589 2.557 295 HB2 ALA 39 HB2 ALA 39 4.162 4.843 0.833 296 HB3 ALA 39 HB3 ALA 39 5.012 3.397 1.390 297 H GLY 40 HN GLY 40 1.532 4.283 -0.214 298 HA2 GLY 40 HA2 GLY 40 1.428 3.882 -2.486 299 HA3 GLY 40 HA1 GLY 40 2.488 2.497 -2.298 300 H ARG 41 HN ARG 41 1.049 0.990 -0.458 301 HA ARG 41 HA ARG 41 -0.455 -0.540 -2.293 302 HB2 ARG 41 HB2 ARG 41 0.956 -1.361 -0.313 303 HB3 ARG 41 HB1 ARG 41 -0.373 -0.894 0.735 304 HG2 ARG 41 HG2 ARG 41 -0.669 -3.195 0.434 305 HG3 ARG 41 HG1 ARG 41 -1.832 -2.486 -0.683 306 HD2 ARG 41 HD2 ARG 41 0.922 -3.502 -1.460 307 HD3 ARG 41 HD1 ARG 41 -0.570 -4.425 -1.613 308 HE ARG 41 HE ARG 41 -1.161 -2.242 -3.084 309 HH11 ARG 41 HH11 ARG 41 2.007 -4.101 -4.769 310 HH12 ARG 41 HH12 ARG 41 1.671 -4.353 -3.087 311 HH21 ARG 41 HH21 ARG 41 0.705 -2.769 -6.020 312 HH22 ARG 41 HH22 ARG 41 -0.672 -1.957 -5.335 313 H CYS 42 HN CYS 42 -1.426 1.947 -0.110 314 HA CYS 42 HA CYS 42 -4.073 1.303 0.494 315 HB2 CYS 42 HB2 CYS 42 -2.972 3.214 1.519 316 HB3 CYS 42 HB1 CYS 42 -2.878 4.041 -0.036 317 H ILE 43 HN ILE 43 -2.686 2.626 -2.457 318 HA ILE 43 HA ILE 43 -4.843 3.682 -3.847 319 HB ILE 43 HB ILE 43 -2.387 2.156 -4.839 320 HG12 ILE 43 HG12 ILE 43 -2.972 5.155 -4.717 321 HG13 ILE 43 HG11 ILE 43 -1.969 4.270 -3.575 322 HG21 ILE 43 HG21 ILE 43 -4.305 3.786 -6.553 323 HG22 ILE 43 HG22 ILE 43 -4.047 2.042 -6.637 324 HG23 ILE 43 HG23 ILE 43 -2.748 3.143 -7.087 325 HD11 ILE 43 HD11 ILE 43 -1.397 4.690 -6.501 326 HD12 ILE 43 HD12 ILE 43 -0.398 3.751 -5.386 327 HD13 ILE 43 HD13 ILE 43 -0.612 5.483 -5.135 328 H ASP 44 HN ASP 44 -3.799 0.300 -3.669 329 HA ASP 44 HA ASP 44 -5.695 -0.672 -5.614 330 HB2 ASP 44 HB2 ASP 44 -4.173 -2.345 -3.598 331 HB3 ASP 44 HB1 ASP 44 -4.781 -2.850 -5.169 332 H ILE 45 HN ILE 45 -5.336 -0.938 -2.080 333 HA ILE 45 HA ILE 45 -7.799 -2.198 -1.524 334 HB ILE 45 HB ILE 45 -5.979 -0.468 0.206 335 HG12 ILE 45 HG12 ILE 45 -6.522 -3.464 0.023 336 HG13 ILE 45 HG11 ILE 45 -5.012 -2.622 -0.289 337 HG21 ILE 45 HG21 ILE 45 -8.445 -1.921 1.209 338 HG22 ILE 45 HG22 ILE 45 -8.267 -0.169 1.088 339 HG23 ILE 45 HG23 ILE 45 -7.251 -1.079 2.204 340 HD11 ILE 45 HD11 ILE 45 -4.837 -3.824 1.769 341 HD12 ILE 45 HD12 ILE 45 -6.308 -3.089 2.407 342 HD13 ILE 45 HD13 ILE 45 -4.867 -2.102 2.140 343 H GLU 46 HN GLU 46 -7.040 1.085 -2.371 344 HA GLU 46 HA GLU 46 -9.423 2.355 -1.403 345 HB2 GLU 46 HB2 GLU 46 -7.051 3.360 -2.143 346 HB3 GLU 46 HB1 GLU 46 -7.830 3.517 -3.703 347 HG2 GLU 46 HG2 GLU 46 -8.660 4.806 -1.092 348 HG3 GLU 46 HG1 GLU 46 -7.947 5.607 -2.481 349 H LEU 47 HN LEU 47 -8.381 1.009 -4.546 350 HA LEU 47 HA LEU 47 -10.613 1.405 -6.163 351 HB2 LEU 47 HB2 LEU 47 -8.795 -1.022 -5.884 352 HB3 LEU 47 HB1 LEU 47 -10.008 -0.922 -7.143 353 HG LEU 47 HG LEU 47 -7.824 1.181 -6.903 354 HD11 LEU 47 HD11 LEU 47 -6.675 -0.982 -7.060 355 HD12 LEU 47 HD12 LEU 47 -6.489 -0.067 -8.550 356 HD13 LEU 47 HD13 LEU 47 -7.629 -1.415 -8.482 357 HD21 LEU 47 HD21 LEU 47 -9.537 0.241 -9.229 358 HD22 LEU 47 HD22 LEU 47 -8.311 1.513 -9.299 359 HD23 LEU 47 HD23 LEU 47 -9.751 1.736 -8.313 360 H TYR 48 HN TYR 48 -10.098 -0.894 -3.541 361 HA TYR 48 HA TYR 48 -12.671 -2.246 -3.987 362 HB2 TYR 48 HB2 TYR 48 -10.736 -3.012 -1.785 363 HB3 TYR 48 HB1 TYR 48 -11.873 -4.031 -2.671 364 HD1 TYR 48 HD1 TYR 48 -8.728 -4.300 -2.067 365 HD2 TYR 48 HD2 TYR 48 -10.997 -3.212 -5.522 366 HE1 TYR 48 HE1 TYR 48 -6.883 -5.026 -3.513 367 HE2 TYR 48 HE2 TYR 48 -9.145 -3.923 -6.956 368 HH TYR 48 HH TYR 48 -6.715 -4.270 -6.803 369 H THR 49 HN THR 49 -11.439 0.299 -2.083 370 HA THR 49 HA THR 49 -13.875 0.292 -0.393 371 HB THR 49 HB THR 49 -12.774 2.001 1.028 372 HG1 THR 49 HG1 THR 49 -11.384 2.866 -0.697 373 HG21 THR 49 HG21 THR 49 -10.982 0.622 2.028 374 HG22 THR 49 HG22 THR 49 -10.976 -0.405 0.595 375 HG23 THR 49 HG23 THR 49 -12.398 -0.356 1.635 376 H ASP 50 HN ASP 50 -14.657 0.620 -2.666 377 HA ASP 50 HA ASP 50 -14.241 3.070 -4.073 378 HB2 ASP 50 HB2 ASP 50 -14.655 0.827 -5.110 379 HB3 ASP 50 HB1 ASP 50 -16.315 0.880 -4.532 380 H GLY 51 HN GLY 51 -15.069 3.968 -1.652 381 HA2 GLY 51 HA2 GLY 51 -16.459 5.963 -1.381 382 HA3 GLY 51 HA1 GLY 51 -17.807 5.061 -2.070 383 H ARG 52 HN ARG 52 -16.624 2.689 -0.453 384 HA ARG 52 HA ARG 52 -18.538 2.722 1.615 385 HB2 ARG 52 HB2 ARG 52 -17.097 0.765 0.353 386 HB3 ARG 52 HB1 ARG 52 -16.202 0.835 1.856 387 HG2 ARG 52 HG2 ARG 52 -19.179 0.255 1.604 388 HG3 ARG 52 HG1 ARG 52 -17.915 -0.952 1.802 389 HD2 ARG 52 HD2 ARG 52 -18.768 -0.749 3.963 390 HD3 ARG 52 HD1 ARG 52 -17.365 0.315 4.016 391 HE ARG 52 HE ARG 52 -18.802 2.199 3.975 392 HH11 ARG 52 HH11 ARG 52 -22.059 -0.033 4.759 393 HH12 ARG 52 HH12 ARG 52 -20.613 -0.819 4.209 394 HH21 ARG 52 HH21 ARG 52 -22.099 2.237 5.037 395 HH22 ARG 52 HH22 ARG 52 -20.689 3.194 4.698 396 H VAL 53 HN VAL 53 -14.961 3.050 1.755 397 HA VAL 53 HA VAL 53 -15.131 4.822 4.065 398 HB VAL 53 HB VAL 53 -14.987 2.533 5.107 399 HG11 VAL 53 HG11 VAL 53 -12.950 1.179 4.917 400 HG12 VAL 53 HG12 VAL 53 -12.308 2.302 3.714 401 HG13 VAL 53 HG13 VAL 53 -13.760 1.363 3.360 402 HG21 VAL 53 HG21 VAL 53 -14.080 4.442 6.350 403 HG22 VAL 53 HG22 VAL 53 -12.508 4.236 5.577 404 HG23 VAL 53 HG23 VAL 53 -13.123 2.995 6.672 405 H GLU 54 HN GLU 54 -13.101 6.039 4.364 406 HA GLU 54 HA GLU 54 -11.525 6.314 1.953 407 HB2 GLU 54 HB2 GLU 54 -12.161 8.309 3.282 408 HB3 GLU 54 HB1 GLU 54 -11.203 7.723 4.639 409 HG2 GLU 54 HG2 GLU 54 -9.148 7.998 3.403 410 HG3 GLU 54 HG1 GLU 54 -10.021 8.310 1.907 411 H CYS 55 HN CYS 55 -9.920 4.956 1.510 412 HA CYS 55 HA CYS 55 -8.474 3.431 3.451 413 HB2 CYS 55 HB2 CYS 55 -8.657 2.490 1.245 414 HB3 CYS 55 HB1 CYS 55 -7.993 3.940 0.497 415 H ARG 56 HN ARG 56 -6.420 3.740 4.273 416 HA ARG 56 HA ARG 56 -4.959 6.223 3.680 417 HB2 ARG 56 HB2 ARG 56 -5.936 5.450 6.471 418 HB3 ARG 56 HB1 ARG 56 -4.734 6.702 6.159 419 HG2 ARG 56 HG2 ARG 56 -6.310 8.086 5.024 420 HG3 ARG 56 HG1 ARG 56 -7.501 6.793 4.931 421 HD2 ARG 56 HD2 ARG 56 -7.782 6.898 7.390 422 HD3 ARG 56 HD1 ARG 56 -6.614 8.232 7.450 423 HE ARG 56 HE ARG 56 -8.296 9.260 5.722 424 HH11 ARG 56 HH11 ARG 56 -10.663 8.361 8.839 425 HH12 ARG 56 HH12 ARG 56 -9.162 7.514 8.653 426 HH21 ARG 56 HH21 ARG 56 -11.294 9.950 7.305 427 HH22 ARG 56 HH22 ARG 56 -10.267 10.306 5.947 428 H GLU 57 HN GLU 57 -2.790 6.170 4.189 429 HA GLU 57 HA GLU 57 -1.592 3.525 4.764 430 HB2 GLU 57 HB2 GLU 57 0.085 4.003 2.964 431 HB3 GLU 57 HB1 GLU 57 -1.550 3.787 2.353 432 HG2 GLU 57 HG2 GLU 57 -1.821 6.153 1.999 433 HG3 GLU 57 HG1 GLU 57 -0.313 6.511 2.841 434 H LEU 58 HN LEU 58 0.725 3.640 5.248 435 HA LEU 58 HA LEU 58 1.494 6.033 6.768 436 HB2 LEU 58 HB2 LEU 58 2.668 3.221 6.624 437 HB3 LEU 58 HB1 LEU 58 3.432 4.527 7.518 438 HG LEU 58 HG LEU 58 0.634 3.503 8.128 439 HD11 LEU 58 HD11 LEU 58 1.595 2.301 10.032 440 HD12 LEU 58 HD12 LEU 58 3.225 2.743 9.513 441 HD13 LEU 58 HD13 LEU 58 2.226 1.693 8.504 442 HD21 LEU 58 HD21 LEU 58 1.009 5.791 8.867 443 HD22 LEU 58 HD22 LEU 58 2.485 5.313 9.710 444 HD23 LEU 58 HD23 LEU 58 0.916 4.711 10.257 445 H ARG 59 HN ARG 59 2.602 7.548 5.650 446 HA ARG 59 HA ARG 59 3.144 7.306 2.916 447 HB2 ARG 59 HB2 ARG 59 4.449 9.349 4.783 448 HB3 ARG 59 HB1 ARG 59 4.203 9.513 3.038 449 HG2 ARG 59 HG2 ARG 59 2.058 9.483 5.189 450 HG3 ARG 59 HG1 ARG 59 2.607 10.887 4.279 451 HD2 ARG 59 HD2 ARG 59 1.732 9.801 2.194 452 HD3 ARG 59 HD1 ARG 59 1.090 8.488 3.186 453 HE ARG 59 HE ARG 59 -0.022 11.113 2.831 454 HH11 ARG 59 HH11 ARG 59 -1.369 8.921 5.914 455 HH12 ARG 59 HH12 ARG 59 0.103 8.446 5.135 456 HH21 ARG 59 HH21 ARG 59 -1.895 11.739 3.918 457 HH22 ARG 59 HH22 ARG 59 -2.500 10.777 5.235 458 HA PRO 60 HA PRO 60 7.015 5.295 2.357 459 HB2 PRO 60 HB2 PRO 60 8.435 6.842 0.549 460 HB3 PRO 60 HB1 PRO 60 7.050 5.824 0.104 461 HG2 PRO 60 HG2 PRO 60 7.104 8.762 0.697 462 HG3 PRO 60 HG1 PRO 60 6.328 7.885 -0.631 463 HD2 PRO 60 HD2 PRO 60 4.873 8.693 1.482 464 HD3 PRO 60 HD1 PRO 60 4.561 7.113 0.705 465 H ASP 61 HN ASP 61 8.570 5.081 3.693 466 HA ASP 61 HA ASP 61 9.715 7.268 5.242 467 HB2 ASP 61 HB2 ASP 61 9.084 5.103 6.340 468 HB3 ASP 61 HB1 ASP 61 10.297 4.266 5.380 469 H VAL 62 HN VAL 62 10.751 4.786 2.947 470 HA VAL 62 HA VAL 62 13.246 6.261 2.337 471 HB VAL 62 HB VAL 62 12.542 3.347 1.670 472 HG11 VAL 62 HG11 VAL 62 15.190 4.816 1.331 473 HG12 VAL 62 HG12 VAL 62 14.100 4.310 0.039 474 HG13 VAL 62 HG13 VAL 62 14.910 3.098 1.026 475 HG21 VAL 62 HG21 VAL 62 12.827 3.620 4.099 476 HG22 VAL 62 HG22 VAL 62 14.406 4.369 3.857 477 HG23 VAL 62 HG23 VAL 62 14.152 2.677 3.419 478 H PHE 63 HN PHE 63 12.848 7.615 0.678 479 HA PHE 63 HA PHE 63 11.039 6.813 -1.532 480 HB2 PHE 63 HB2 PHE 63 9.979 8.494 -0.018 481 HB3 PHE 63 HB1 PHE 63 11.334 9.585 -0.275 482 HD1 PHE 63 HD1 PHE 63 8.514 7.870 -2.027 483 HD2 PHE 63 HD2 PHE 63 11.321 11.093 -2.164 484 HE1 PHE 63 HE1 PHE 63 7.356 8.801 -3.983 485 HE2 PHE 63 HE2 PHE 63 10.144 12.020 -4.123 486 HZ PHE 63 HZ PHE 63 8.164 10.873 -5.034 487 H GLY 64 HN GLY 64 12.099 6.726 -3.418 488 HA2 GLY 64 HA2 GLY 64 14.218 8.628 -4.120 489 HA3 GLY 64 HA1 GLY 64 14.644 6.915 -4.089 490 H ALA 65 HN ALA 65 13.966 9.219 -6.195 491 HA ALA 65 HA ALA 65 12.720 7.442 -8.179 492 HB1 ALA 65 HB1 ALA 65 11.644 10.220 -7.541 493 HB2 ALA 65 HB2 ALA 65 10.838 8.691 -7.186 494 HB3 ALA 65 HB3 ALA 65 11.101 9.178 -8.861 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -15.611 -2.135 11.424 2 H2 MET 1 HT2 MET 1 -15.296 -0.559 10.899 3 H3 MET 1 HT3 MET 1 -14.046 -1.503 11.526 4 HA MET 1 HA MET 1 -14.158 -3.006 9.704 5 HB2 MET 1 HB2 MET 1 -16.326 -1.149 8.617 6 HB3 MET 1 HB1 MET 1 -15.611 -2.504 7.747 7 HG2 MET 1 HG2 MET 1 -17.756 -3.179 8.550 8 HG3 MET 1 HG1 MET 1 -16.537 -4.033 9.496 9 HE1 MET 1 HE1 MET 1 -19.725 -3.553 10.245 10 HE2 MET 1 HE2 MET 1 -19.610 -3.248 11.976 11 HE3 MET 1 HE3 MET 1 -18.675 -4.554 11.250 12 H ASN 2 HN ASN 2 -12.087 -2.312 9.422 13 HA ASN 2 HA ASN 2 -11.286 0.302 8.542 14 HB2 ASN 2 HB2 ASN 2 -9.799 -2.368 8.485 15 HB3 ASN 2 HB1 ASN 2 -9.053 -0.815 8.121 16 HD21 ASN 2 HD21 ASN 2 -8.505 -2.794 10.248 17 HD22 ASN 2 HD22 ASN 2 -8.587 -1.926 11.736 18 H ALA 3 HN ALA 3 -10.170 0.688 6.468 19 HA ALA 3 HA ALA 3 -11.500 0.039 4.130 20 HB1 ALA 3 HB1 ALA 3 -9.975 1.953 4.337 21 HB2 ALA 3 HB2 ALA 3 -9.538 0.959 2.947 22 HB3 ALA 3 HB3 ALA 3 -8.590 0.860 4.437 23 H ILE 4 HN ILE 4 -8.647 -1.463 5.559 24 HA ILE 4 HA ILE 4 -8.018 -3.308 3.518 25 HB ILE 4 HB ILE 4 -7.538 -3.812 6.486 26 HG12 ILE 4 HG12 ILE 4 -5.149 -2.827 5.887 27 HG13 ILE 4 HG11 ILE 4 -6.013 -1.989 4.607 28 HG21 ILE 4 HG21 ILE 4 -7.129 -5.763 5.055 29 HG22 ILE 4 HG22 ILE 4 -5.621 -5.169 5.748 30 HG23 ILE 4 HG23 ILE 4 -6.013 -4.820 4.062 31 HD11 ILE 4 HD11 ILE 4 -5.679 -0.579 6.550 32 HD12 ILE 4 HD12 ILE 4 -6.524 -1.737 7.576 33 HD13 ILE 4 HD13 ILE 4 -7.403 -0.873 6.308 34 H ASP 5 HN ASP 5 -10.168 -3.437 6.306 35 HA ASP 5 HA ASP 5 -10.959 -6.165 6.192 36 HB2 ASP 5 HB2 ASP 5 -11.230 -4.913 8.249 37 HB3 ASP 5 HB1 ASP 5 -12.223 -3.696 7.454 38 H ILE 6 HN ILE 6 -12.413 -3.195 4.889 39 HA ILE 6 HA ILE 6 -14.783 -4.396 3.853 40 HB ILE 6 HB ILE 6 -13.428 -1.719 3.318 41 HG12 ILE 6 HG12 ILE 6 -14.420 -2.052 5.581 42 HG13 ILE 6 HG11 ILE 6 -15.223 -0.769 4.686 43 HG21 ILE 6 HG21 ILE 6 -16.135 -2.589 2.214 44 HG22 ILE 6 HG22 ILE 6 -14.684 -2.236 1.275 45 HG23 ILE 6 HG23 ILE 6 -15.489 -0.944 2.161 46 HD11 ILE 6 HD11 ILE 6 -17.082 -2.304 4.184 47 HD12 ILE 6 HD12 ILE 6 -16.831 -2.107 5.916 48 HD13 ILE 6 HD13 ILE 6 -16.274 -3.572 5.110 49 H ALA 7 HN ALA 7 -11.553 -3.888 2.549 50 HA ALA 7 HA ALA 7 -12.179 -4.574 -0.173 51 HB1 ALA 7 HB1 ALA 7 -9.472 -4.626 1.191 52 HB2 ALA 7 HB2 ALA 7 -10.192 -3.223 0.394 53 HB3 ALA 7 HB3 ALA 7 -9.775 -4.661 -0.554 54 H ILE 8 HN ILE 8 -11.302 -6.433 2.695 55 HA ILE 8 HA ILE 8 -10.813 -8.975 1.556 56 HB ILE 8 HB ILE 8 -12.288 -8.380 4.173 57 HG12 ILE 8 HG12 ILE 8 -9.317 -8.972 3.768 58 HG13 ILE 8 HG11 ILE 8 -9.990 -7.375 4.058 59 HG21 ILE 8 HG21 ILE 8 -11.634 -10.667 4.884 60 HG22 ILE 8 HG22 ILE 8 -10.929 -10.967 3.292 61 HG23 ILE 8 HG23 ILE 8 -12.667 -10.706 3.458 62 HD11 ILE 8 HD11 ILE 8 -10.070 -9.701 5.968 63 HD12 ILE 8 HD12 ILE 8 -10.763 -8.102 6.265 64 HD13 ILE 8 HD13 ILE 8 -9.020 -8.290 6.065 65 H ASN 9 HN ASN 9 -13.820 -7.441 2.635 66 HA ASN 9 HA ASN 9 -15.625 -9.488 1.858 67 HB2 ASN 9 HB2 ASN 9 -16.255 -7.794 3.517 68 HB3 ASN 9 HB1 ASN 9 -16.053 -6.505 2.344 69 HD21 ASN 9 HD21 ASN 9 -17.722 -6.065 0.915 70 HD22 ASN 9 HD22 ASN 9 -19.264 -6.830 0.984 71 H LYS 10 HN LYS 10 -14.253 -6.724 0.146 72 HA LYS 10 HA LYS 10 -16.105 -6.662 -2.025 73 HB2 LYS 10 HB2 LYS 10 -14.568 -4.770 -1.190 74 HB3 LYS 10 HB1 LYS 10 -13.266 -5.541 -2.083 75 HG2 LYS 10 HG2 LYS 10 -15.821 -4.828 -3.533 76 HG3 LYS 10 HG1 LYS 10 -14.680 -3.552 -3.121 77 HD2 LYS 10 HD2 LYS 10 -12.895 -4.768 -4.355 78 HD3 LYS 10 HD1 LYS 10 -14.079 -5.996 -4.825 79 HE2 LYS 10 HE2 LYS 10 -14.212 -3.047 -5.543 80 HE3 LYS 10 HE1 LYS 10 -13.694 -4.338 -6.626 81 HZ1 LYS 10 HZ1 LYS 10 -16.389 -4.019 -5.433 82 HZ2 LYS 10 HZ2 LYS 10 -15.906 -5.323 -6.392 83 HZ3 LYS 10 HZ3 LYS 10 -15.968 -3.769 -7.052 84 H LEU 11 HN LEU 11 -12.924 -8.177 -1.571 85 HA LEU 11 HA LEU 11 -13.053 -9.416 -4.241 86 HB2 LEU 11 HB2 LEU 11 -10.817 -9.603 -2.198 87 HB3 LEU 11 HB1 LEU 11 -10.754 -10.115 -3.879 88 HG LEU 11 HG LEU 11 -10.753 -7.286 -2.768 89 HD11 LEU 11 HD11 LEU 11 -8.719 -7.053 -4.181 90 HD12 LEU 11 HD12 LEU 11 -8.853 -8.762 -4.608 91 HD13 LEU 11 HD13 LEU 11 -8.578 -8.282 -2.937 92 HD21 LEU 11 HD21 LEU 11 -11.185 -7.995 -5.689 93 HD22 LEU 11 HD22 LEU 11 -10.915 -6.378 -5.020 94 HD23 LEU 11 HD23 LEU 11 -12.374 -7.262 -4.603 95 H GLY 12 HN GLY 12 -14.131 -10.118 -1.168 96 HA2 GLY 12 HA2 GLY 12 -15.483 -11.975 -0.697 97 HA3 GLY 12 HA1 GLY 12 -14.644 -12.913 -1.920 98 H SER 13 HN SER 13 -11.955 -12.097 -0.806 99 HA SER 13 HA SER 13 -11.846 -13.351 1.815 100 HB2 SER 13 HB2 SER 13 -10.376 -15.226 1.049 101 HB3 SER 13 HB1 SER 13 -12.003 -15.337 0.382 102 HG SER 13 HG SER 13 -11.262 -14.636 -1.575 103 H VAL 14 HN VAL 14 -9.642 -13.505 2.642 104 HA VAL 14 HA VAL 14 -7.972 -11.239 2.012 105 HB VAL 14 HB VAL 14 -7.779 -13.558 3.986 106 HG11 VAL 14 HG11 VAL 14 -5.461 -13.164 3.322 107 HG12 VAL 14 HG12 VAL 14 -5.723 -12.551 4.951 108 HG13 VAL 14 HG13 VAL 14 -5.638 -11.430 3.589 109 HG21 VAL 14 HG21 VAL 14 -9.310 -11.747 4.566 110 HG22 VAL 14 HG22 VAL 14 -8.026 -10.547 4.358 111 HG23 VAL 14 HG23 VAL 14 -7.931 -11.740 5.667 112 H SER 15 HN SER 15 -8.038 -14.659 1.231 113 HA SER 15 HA SER 15 -5.415 -14.930 0.244 114 HB2 SER 15 HB2 SER 15 -7.878 -16.467 -0.635 115 HB3 SER 15 HB1 SER 15 -6.191 -16.976 -0.787 116 HG SER 15 HG SER 15 -6.052 -17.094 1.443 117 H ALA 16 HN ALA 16 -8.458 -13.933 -1.291 118 HA ALA 16 HA ALA 16 -7.328 -13.502 -3.920 119 HB1 ALA 16 HB1 ALA 16 -9.513 -12.474 -4.447 120 HB2 ALA 16 HB2 ALA 16 -9.955 -12.525 -2.737 121 HB3 ALA 16 HB3 ALA 16 -9.719 -14.027 -3.630 122 H LEU 17 HN LEU 17 -7.852 -11.562 -1.023 123 HA LEU 17 HA LEU 17 -7.485 -9.000 -2.185 124 HB2 LEU 17 HB2 LEU 17 -8.629 -9.320 -0.012 125 HB3 LEU 17 HB1 LEU 17 -7.109 -9.835 0.710 126 HG LEU 17 HG LEU 17 -6.149 -7.616 0.405 127 HD11 LEU 17 HD11 LEU 17 -7.223 -6.929 -1.683 128 HD12 LEU 17 HD12 LEU 17 -7.462 -5.701 -0.445 129 HD13 LEU 17 HD13 LEU 17 -8.785 -6.793 -0.867 130 HD21 LEU 17 HD21 LEU 17 -8.875 -7.408 1.707 131 HD22 LEU 17 HD22 LEU 17 -7.501 -6.325 1.971 132 HD23 LEU 17 HD23 LEU 17 -7.395 -8.016 2.463 133 H ALA 18 HN ALA 18 -5.305 -10.920 -0.200 134 HA ALA 18 HA ALA 18 -3.005 -9.354 -0.407 135 HB1 ALA 18 HB1 ALA 18 -3.382 -11.077 1.315 136 HB2 ALA 18 HB2 ALA 18 -1.837 -11.309 0.490 137 HB3 ALA 18 HB3 ALA 18 -3.221 -12.334 0.087 138 H ALA 19 HN ALA 19 -4.229 -11.980 -2.460 139 HA ALA 19 HA ALA 19 -2.030 -12.334 -4.184 140 HB1 ALA 19 HB1 ALA 19 -3.682 -13.193 -5.807 141 HB2 ALA 19 HB2 ALA 19 -4.993 -12.524 -4.830 142 HB3 ALA 19 HB3 ALA 19 -3.986 -13.818 -4.182 143 H ALA 20 HN ALA 20 -4.784 -10.100 -4.378 144 HA ALA 20 HA ALA 20 -4.023 -8.784 -6.809 145 HB1 ALA 20 HB1 ALA 20 -5.953 -7.907 -4.640 146 HB2 ALA 20 HB2 ALA 20 -6.358 -8.909 -6.037 147 HB3 ALA 20 HB3 ALA 20 -5.854 -7.231 -6.264 148 H LEU 21 HN LEU 21 -3.176 -8.354 -3.482 149 HA LEU 21 HA LEU 21 -1.983 -5.690 -3.886 150 HB2 LEU 21 HB2 LEU 21 -2.350 -7.367 -1.378 151 HB3 LEU 21 HB1 LEU 21 -1.675 -5.740 -1.414 152 HG LEU 21 HG LEU 21 -4.519 -6.463 -2.239 153 HD11 LEU 21 HD11 LEU 21 -3.524 -5.177 0.308 154 HD12 LEU 21 HD12 LEU 21 -4.281 -6.763 0.130 155 HD13 LEU 21 HD13 LEU 21 -5.220 -5.304 -0.178 156 HD21 LEU 21 HD21 LEU 21 -3.699 -4.514 -3.454 157 HD22 LEU 21 HD22 LEU 21 -3.210 -3.744 -1.942 158 HD23 LEU 21 HD23 LEU 21 -4.920 -4.036 -2.277 159 H GLY 22 HN GLY 22 -1.078 -8.906 -4.148 160 HA2 GLY 22 HA2 GLY 22 0.925 -9.922 -4.608 161 HA3 GLY 22 HA1 GLY 22 1.661 -8.327 -4.667 162 H VAL 23 HN VAL 23 0.010 -9.167 -1.759 163 HA VAL 23 HA VAL 23 2.573 -9.539 -0.321 164 HB VAL 23 HB VAL 23 1.497 -8.559 1.669 165 HG11 VAL 23 HG11 VAL 23 2.684 -7.037 0.178 166 HG12 VAL 23 HG12 VAL 23 1.299 -6.218 0.901 167 HG13 VAL 23 HG13 VAL 23 1.216 -6.773 -0.772 168 HG21 VAL 23 HG21 VAL 23 -0.982 -8.140 -0.064 169 HG22 VAL 23 HG22 VAL 23 -0.755 -7.500 1.564 170 HG23 VAL 23 HG23 VAL 23 -0.848 -9.241 1.312 171 H ASN 24 HN ASN 24 1.953 -10.546 1.977 172 HA ASN 24 HA ASN 24 0.892 -13.200 1.433 173 HB2 ASN 24 HB2 ASN 24 3.017 -12.837 2.716 174 HB3 ASN 24 HB1 ASN 24 2.093 -12.094 4.013 175 HD21 ASN 24 HD21 ASN 24 2.689 -13.658 5.540 176 HD22 ASN 24 HD22 ASN 24 2.161 -15.298 5.466 177 H GLN 25 HN GLN 25 -0.505 -14.184 3.090 178 HA GLN 25 HA GLN 25 -2.974 -12.691 3.202 179 HB2 GLN 25 HB2 GLN 25 -2.797 -15.395 4.537 180 HB3 GLN 25 HB1 GLN 25 -4.063 -14.735 3.495 181 HG2 GLN 25 HG2 GLN 25 -1.371 -15.825 2.620 182 HG3 GLN 25 HG1 GLN 25 -2.939 -16.604 2.414 183 HE21 GLN 25 HE21 GLN 25 -0.811 -15.606 0.493 184 HE22 GLN 25 HE22 GLN 25 -1.658 -14.640 -0.654 185 H SER 26 HN SER 26 -0.598 -13.935 5.469 186 HA SER 26 HA SER 26 -1.824 -13.073 7.889 187 HB2 SER 26 HB2 SER 26 1.130 -13.583 7.301 188 HB3 SER 26 HB1 SER 26 0.365 -13.563 8.898 189 HG SER 26 HG SER 26 -1.039 -15.298 7.656 190 H ALA 27 HN ALA 27 0.135 -11.457 5.463 191 HA ALA 27 HA ALA 27 0.911 -9.153 6.948 192 HB1 ALA 27 HB1 ALA 27 1.939 -9.746 4.783 193 HB2 ALA 27 HB2 ALA 27 1.310 -8.100 4.759 194 HB3 ALA 27 HB3 ALA 27 0.418 -9.397 3.957 195 H ILE 28 HN ILE 28 -1.936 -9.934 5.002 196 HA ILE 28 HA ILE 28 -3.306 -7.451 5.223 197 HB ILE 28 HB ILE 28 -4.464 -10.244 4.825 198 HG12 ILE 28 HG12 ILE 28 -2.792 -9.653 3.102 199 HG13 ILE 28 HG11 ILE 28 -4.412 -9.762 2.422 200 HG21 ILE 28 HG21 ILE 28 -6.408 -9.125 3.804 201 HG22 ILE 28 HG22 ILE 28 -5.725 -7.549 4.210 202 HG23 ILE 28 HG23 ILE 28 -6.218 -8.659 5.494 203 HD11 ILE 28 HD11 ILE 28 -4.562 -7.307 2.448 204 HD12 ILE 28 HD12 ILE 28 -3.209 -7.896 1.485 205 HD13 ILE 28 HD13 ILE 28 -2.920 -7.229 3.090 206 H SER 29 HN SER 29 -3.351 -10.409 7.187 207 HA SER 29 HA SER 29 -5.365 -9.710 9.033 208 HB2 SER 29 HB2 SER 29 -2.877 -11.408 9.536 209 HB3 SER 29 HB1 SER 29 -4.386 -11.453 10.465 210 HG SER 29 HG SER 29 -5.434 -12.210 8.568 211 H GLN 30 HN GLN 30 -1.950 -8.856 8.853 212 HA GLN 30 HA GLN 30 -1.803 -7.565 11.423 213 HB2 GLN 30 HB2 GLN 30 0.249 -8.432 10.435 214 HB3 GLN 30 HB1 GLN 30 0.028 -7.466 8.984 215 HG2 GLN 30 HG2 GLN 30 1.766 -6.464 10.284 216 HG3 GLN 30 HG1 GLN 30 0.367 -5.403 10.364 217 HE21 GLN 30 HE21 GLN 30 2.663 -5.559 12.147 218 HE22 GLN 30 HE22 GLN 30 2.040 -5.866 13.724 219 H TRP 31 HN TRP 31 -2.322 -6.467 8.078 220 HA TRP 31 HA TRP 31 -2.282 -3.672 8.591 221 HB2 TRP 31 HB2 TRP 31 -3.580 -5.219 6.322 222 HB3 TRP 31 HB1 TRP 31 -3.428 -3.466 6.363 223 HD1 TRP 31 HD1 TRP 31 -0.211 -4.437 7.663 224 HE1 TRP 31 HE1 TRP 31 1.549 -4.620 5.803 225 HE3 TRP 31 HE3 TRP 31 -3.296 -4.593 3.573 226 HZ2 TRP 31 HZ2 TRP 31 1.636 -4.810 3.003 227 HZ3 TRP 31 HZ3 TRP 31 -2.290 -4.757 1.350 228 HH2 TRP 31 HH2 TRP 31 0.125 -4.866 1.068 229 H ARG 32 HN ARG 32 -4.787 -6.086 8.680 230 HA ARG 32 HA ARG 32 -7.061 -4.373 8.921 231 HB2 ARG 32 HB2 ARG 32 -7.143 -6.728 8.074 232 HB3 ARG 32 HB1 ARG 32 -6.703 -7.309 9.676 233 HG2 ARG 32 HG2 ARG 32 -8.833 -6.273 10.538 234 HG3 ARG 32 HG1 ARG 32 -9.264 -5.903 8.863 235 HD2 ARG 32 HD2 ARG 32 -9.061 -8.356 8.335 236 HD3 ARG 32 HD1 ARG 32 -8.823 -8.672 10.058 237 HE ARG 32 HE ARG 32 -11.250 -7.402 8.953 238 HH11 ARG 32 HH11 ARG 32 -11.308 -10.330 11.713 239 HH12 ARG 32 HH12 ARG 32 -9.793 -9.787 11.069 240 HH21 ARG 32 HH21 ARG 32 -13.285 -9.385 10.974 241 HH22 ARG 32 HH22 ARG 32 -13.246 -8.134 9.767 242 H ALA 33 HN ALA 33 -4.797 -5.917 11.124 243 HA ALA 33 HA ALA 33 -6.230 -5.151 13.538 244 HB1 ALA 33 HB1 ALA 33 -4.985 -7.273 13.480 245 HB2 ALA 33 HB2 ALA 33 -4.321 -6.204 14.717 246 HB3 ALA 33 HB3 ALA 33 -3.479 -6.399 13.177 247 H ARG 34 HN ARG 34 -3.765 -3.859 11.477 248 HA ARG 34 HA ARG 34 -2.633 -1.943 13.307 249 HB2 ARG 34 HB2 ARG 34 -1.322 -2.852 11.398 250 HB3 ARG 34 HB1 ARG 34 -2.503 -2.213 10.268 251 HG2 ARG 34 HG2 ARG 34 -0.831 -0.657 10.097 252 HG3 ARG 34 HG1 ARG 34 -1.871 0.104 11.291 253 HD2 ARG 34 HD2 ARG 34 0.343 0.361 12.120 254 HD3 ARG 34 HD1 ARG 34 -0.364 -0.944 13.078 255 HE ARG 34 HE ARG 34 1.201 -1.664 10.708 256 HH11 ARG 34 HH11 ARG 34 2.491 -2.549 14.415 257 HH12 ARG 34 HH12 ARG 34 1.125 -1.499 14.229 258 HH21 ARG 34 HH21 ARG 34 3.025 -2.964 10.981 259 HH22 ARG 34 HH22 ARG 34 3.575 -3.383 12.572 260 H GLY 35 HN GLY 35 -5.204 -2.080 10.947 261 HA2 GLY 35 HA2 GLY 35 -6.912 -0.647 10.373 262 HA3 GLY 35 HA1 GLY 35 -6.378 0.461 11.632 263 H ARG 36 HN ARG 36 -3.978 -0.568 9.427 264 HA ARG 36 HA ARG 36 -4.132 1.666 7.579 265 HB2 ARG 36 HB2 ARG 36 -2.196 1.606 9.898 266 HB3 ARG 36 HB1 ARG 36 -1.583 2.196 8.366 267 HG2 ARG 36 HG2 ARG 36 -2.558 4.201 8.611 268 HG3 ARG 36 HG1 ARG 36 -4.119 3.501 9.037 269 HD2 ARG 36 HD2 ARG 36 -1.798 3.909 10.958 270 HD3 ARG 36 HD1 ARG 36 -3.207 4.969 10.820 271 HE ARG 36 HE ARG 36 -3.294 2.138 11.737 272 HH11 ARG 36 HH11 ARG 36 -4.601 5.399 11.845 273 HH12 ARG 36 HH12 ARG 36 -5.761 5.019 13.073 274 HH21 ARG 36 HH21 ARG 36 -4.810 1.669 13.369 275 HH22 ARG 36 HH22 ARG 36 -5.882 2.909 13.936 276 H VAL 37 HN VAL 37 -2.355 1.585 6.012 277 HA VAL 37 HA VAL 37 -1.068 -1.075 5.723 278 HB VAL 37 HB VAL 37 -1.244 -0.824 3.252 279 HG11 VAL 37 HG11 VAL 37 -3.659 -1.287 3.039 280 HG12 VAL 37 HG12 VAL 37 -3.914 -0.680 4.678 281 HG13 VAL 37 HG13 VAL 37 -2.938 -2.127 4.414 282 HG21 VAL 37 HG21 VAL 37 -2.728 0.893 2.253 283 HG22 VAL 37 HG22 VAL 37 -1.359 1.632 3.083 284 HG23 VAL 37 HG23 VAL 37 -2.952 1.628 3.843 285 HA PRO 38 HA PRO 38 2.929 1.081 4.981 286 HB2 PRO 38 HB2 PRO 38 3.080 -0.976 2.742 287 HB3 PRO 38 HB1 PRO 38 4.304 -0.540 3.958 288 HG2 PRO 38 HG2 PRO 38 2.936 -2.776 4.225 289 HG3 PRO 38 HG1 PRO 38 3.262 -1.754 5.646 290 HD2 PRO 38 HD2 PRO 38 0.717 -2.047 4.075 291 HD3 PRO 38 HD1 PRO 38 0.952 -1.881 5.828 292 H ALA 39 HN ALA 39 3.996 2.237 3.218 293 HA ALA 39 HA ALA 39 2.257 4.030 1.982 294 HB1 ALA 39 HB1 ALA 39 4.536 4.575 2.649 295 HB2 ALA 39 HB2 ALA 39 4.281 4.966 0.948 296 HB3 ALA 39 HB3 ALA 39 5.195 3.520 1.395 297 H GLY 40 HN GLY 40 1.169 3.923 0.110 298 HA2 GLY 40 HA2 GLY 40 1.158 3.986 -2.257 299 HA3 GLY 40 HA1 GLY 40 2.375 2.724 -2.287 300 H ARG 41 HN ARG 41 0.740 1.152 -0.234 301 HA ARG 41 HA ARG 41 -0.593 -0.389 -2.295 302 HB2 ARG 41 HB2 ARG 41 0.817 -1.329 -0.344 303 HB3 ARG 41 HB1 ARG 41 -0.591 -1.053 0.673 304 HG2 ARG 41 HG2 ARG 41 -0.717 -3.325 0.061 305 HG3 ARG 41 HG1 ARG 41 -1.898 -2.531 -0.977 306 HD2 ARG 41 HD2 ARG 41 0.920 -3.340 -1.793 307 HD3 ARG 41 HD1 ARG 41 -0.549 -4.230 -2.176 308 HE ARG 41 HE ARG 41 -1.249 -2.164 -3.468 309 HH11 ARG 41 HH11 ARG 41 2.674 -1.981 -4.383 310 HH12 ARG 41 HH12 ARG 41 2.173 -2.828 -2.958 311 HH21 ARG 41 HH21 ARG 41 -0.548 -1.094 -5.372 312 HH22 ARG 41 HH22 ARG 41 1.141 -1.003 -5.746 313 H CYS 42 HN CYS 42 -1.607 2.016 -0.164 314 HA CYS 42 HA CYS 42 -4.291 1.265 0.409 315 HB2 CYS 42 HB2 CYS 42 -3.186 3.064 1.624 316 HB3 CYS 42 HB1 CYS 42 -3.017 4.011 0.152 317 H ILE 43 HN ILE 43 -2.762 2.581 -2.405 318 HA ILE 43 HA ILE 43 -4.827 3.813 -3.796 319 HB ILE 43 HB ILE 43 -2.524 2.141 -4.882 320 HG12 ILE 43 HG12 ILE 43 -1.689 3.987 -3.543 321 HG13 ILE 43 HG11 ILE 43 -1.404 4.361 -5.235 322 HG21 ILE 43 HG21 ILE 43 -4.270 4.108 -6.402 323 HG22 ILE 43 HG22 ILE 43 -4.190 2.361 -6.639 324 HG23 ILE 43 HG23 ILE 43 -2.791 3.361 -7.020 325 HD11 ILE 43 HD11 ILE 43 -3.352 5.889 -5.197 326 HD12 ILE 43 HD12 ILE 43 -2.101 6.341 -4.041 327 HD13 ILE 43 HD13 ILE 43 -3.567 5.542 -3.478 328 H ASP 44 HN ASP 44 -3.936 0.397 -3.670 329 HA ASP 44 HA ASP 44 -5.905 -0.476 -5.599 330 HB2 ASP 44 HB2 ASP 44 -4.278 -2.171 -3.655 331 HB3 ASP 44 HB1 ASP 44 -4.994 -2.682 -5.185 332 H ILE 45 HN ILE 45 -5.481 -0.757 -2.057 333 HA ILE 45 HA ILE 45 -7.846 -2.206 -1.503 334 HB ILE 45 HB ILE 45 -6.135 -0.403 0.257 335 HG12 ILE 45 HG12 ILE 45 -6.499 -3.432 0.028 336 HG13 ILE 45 HG11 ILE 45 -5.048 -2.500 -0.326 337 HG21 ILE 45 HG21 ILE 45 -8.516 -2.048 1.198 338 HG22 ILE 45 HG22 ILE 45 -8.437 -0.286 1.146 339 HG23 ILE 45 HG23 ILE 45 -7.382 -1.176 2.238 340 HD11 ILE 45 HD11 ILE 45 -4.759 -3.704 1.722 341 HD12 ILE 45 HD12 ILE 45 -6.251 -3.048 2.398 342 HD13 ILE 45 HD13 ILE 45 -4.866 -1.987 2.107 343 H GLU 46 HN GLU 46 -7.300 1.245 -1.959 344 HA GLU 46 HA GLU 46 -9.910 2.084 -1.091 345 HB2 GLU 46 HB2 GLU 46 -7.968 3.631 -1.002 346 HB3 GLU 46 HB1 GLU 46 -7.872 3.609 -2.760 347 HG2 GLU 46 HG2 GLU 46 -10.084 4.638 -2.914 348 HG3 GLU 46 HG1 GLU 46 -10.238 4.606 -1.156 349 H LEU 47 HN LEU 47 -8.410 1.247 -4.185 350 HA LEU 47 HA LEU 47 -10.536 1.799 -5.918 351 HB2 LEU 47 HB2 LEU 47 -7.992 0.582 -6.096 352 HB3 LEU 47 HB1 LEU 47 -9.081 -0.701 -6.581 353 HG LEU 47 HG LEU 47 -9.008 2.058 -7.855 354 HD11 LEU 47 HD11 LEU 47 -7.853 1.006 -9.752 355 HD12 LEU 47 HD12 LEU 47 -7.773 -0.524 -8.875 356 HD13 LEU 47 HD13 LEU 47 -6.900 0.889 -8.274 357 HD21 LEU 47 HD21 LEU 47 -10.457 -0.481 -8.714 358 HD22 LEU 47 HD22 LEU 47 -10.354 1.006 -9.665 359 HD23 LEU 47 HD23 LEU 47 -11.195 1.011 -8.119 360 H TYR 48 HN TYR 48 -10.170 -0.694 -3.505 361 HA TYR 48 HA TYR 48 -12.528 -2.184 -4.403 362 HB2 TYR 48 HB2 TYR 48 -10.851 -2.674 -1.905 363 HB3 TYR 48 HB1 TYR 48 -11.995 -3.793 -2.657 364 HD1 TYR 48 HD1 TYR 48 -8.794 -3.918 -2.027 365 HD2 TYR 48 HD2 TYR 48 -11.161 -3.477 -5.557 366 HE1 TYR 48 HE1 TYR 48 -6.968 -4.854 -3.376 367 HE2 TYR 48 HE2 TYR 48 -9.337 -4.407 -6.893 368 HH TYR 48 HH TYR 48 -6.965 -4.692 -6.799 369 H THR 49 HN THR 49 -11.674 0.269 -2.064 370 HA THR 49 HA THR 49 -14.305 0.023 -0.686 371 HB THR 49 HB THR 49 -13.265 1.077 1.263 372 HG1 THR 49 HG1 THR 49 -11.787 2.491 0.578 373 HG21 THR 49 HG21 THR 49 -11.429 -1.091 0.163 374 HG22 THR 49 HG22 THR 49 -12.912 -1.355 1.082 375 HG23 THR 49 HG23 THR 49 -11.529 -0.584 1.851 376 H ASP 50 HN ASP 50 -14.419 1.277 -3.082 377 HA ASP 50 HA ASP 50 -13.274 3.482 -3.905 378 HB2 ASP 50 HB2 ASP 50 -15.029 2.351 -5.173 379 HB3 ASP 50 HB1 ASP 50 -16.263 3.026 -4.120 380 H GLY 51 HN GLY 51 -16.380 4.013 -2.225 381 HA2 GLY 51 HA2 GLY 51 -15.255 6.348 -0.796 382 HA3 GLY 51 HA1 GLY 51 -16.684 6.574 -1.809 383 H ARG 52 HN ARG 52 -16.157 3.600 -0.100 384 HA ARG 52 HA ARG 52 -18.536 4.049 1.580 385 HB2 ARG 52 HB2 ARG 52 -16.882 1.529 1.099 386 HB3 ARG 52 HB1 ARG 52 -18.405 1.609 1.987 387 HG2 ARG 52 HG2 ARG 52 -19.577 2.326 -0.076 388 HG3 ARG 52 HG1 ARG 52 -18.055 2.255 -0.969 389 HD2 ARG 52 HD2 ARG 52 -17.919 -0.176 -0.515 390 HD3 ARG 52 HD1 ARG 52 -19.452 -0.088 0.364 391 HE ARG 52 HE ARG 52 -20.028 0.944 -2.099 392 HH11 ARG 52 HH11 ARG 52 -18.684 -2.102 -0.975 393 HH12 ARG 52 HH12 ARG 52 -19.320 -3.015 -2.306 394 HH21 ARG 52 HH21 ARG 52 -20.870 -0.266 -3.840 395 HH22 ARG 52 HH22 ARG 52 -20.561 -1.970 -3.931 396 H VAL 53 HN VAL 53 -15.122 3.165 1.850 397 HA VAL 53 HA VAL 53 -14.926 4.748 4.303 398 HB VAL 53 HB VAL 53 -15.051 2.461 5.204 399 HG11 VAL 53 HG11 VAL 53 -14.414 1.192 3.203 400 HG12 VAL 53 HG12 VAL 53 -13.480 0.680 4.609 401 HG13 VAL 53 HG13 VAL 53 -12.737 1.721 3.386 402 HG21 VAL 53 HG21 VAL 53 -13.497 4.017 6.322 403 HG22 VAL 53 HG22 VAL 53 -12.177 3.471 5.286 404 HG23 VAL 53 HG23 VAL 53 -12.911 2.355 6.442 405 H GLU 54 HN GLU 54 -13.274 6.107 4.140 406 HA GLU 54 HA GLU 54 -11.646 6.156 1.755 407 HB2 GLU 54 HB2 GLU 54 -11.749 7.967 4.201 408 HB3 GLU 54 HB1 GLU 54 -10.801 8.294 2.751 409 HG2 GLU 54 HG2 GLU 54 -12.777 8.547 1.409 410 HG3 GLU 54 HG1 GLU 54 -13.811 7.938 2.703 411 H CYS 55 HN CYS 55 -9.912 4.935 1.612 412 HA CYS 55 HA CYS 55 -8.552 3.737 3.825 413 HB2 CYS 55 HB2 CYS 55 -8.677 2.460 1.822 414 HB3 CYS 55 HB1 CYS 55 -8.088 3.789 0.829 415 H ARG 56 HN ARG 56 -6.645 4.351 4.823 416 HA ARG 56 HA ARG 56 -5.031 6.523 3.602 417 HB2 ARG 56 HB2 ARG 56 -5.400 5.981 6.582 418 HB3 ARG 56 HB1 ARG 56 -4.206 7.084 5.917 419 HG2 ARG 56 HG2 ARG 56 -5.899 8.525 6.559 420 HG3 ARG 56 HG1 ARG 56 -6.247 8.304 4.843 421 HD2 ARG 56 HD2 ARG 56 -8.294 8.200 6.194 422 HD3 ARG 56 HD1 ARG 56 -7.984 6.643 5.415 423 HE ARG 56 HE ARG 56 -6.827 6.687 8.001 424 HH11 ARG 56 HH11 ARG 56 -10.687 5.580 7.851 425 HH12 ARG 56 HH12 ARG 56 -10.015 6.457 6.516 426 HH21 ARG 56 HH21 ARG 56 -9.391 5.042 9.653 427 HH22 ARG 56 HH22 ARG 56 -7.721 5.510 9.701 428 H GLU 57 HN GLU 57 -3.028 6.012 3.110 429 HA GLU 57 HA GLU 57 -1.720 3.594 4.169 430 HB2 GLU 57 HB2 GLU 57 0.117 4.220 2.493 431 HB3 GLU 57 HB1 GLU 57 -1.433 3.774 1.800 432 HG2 GLU 57 HG2 GLU 57 -1.991 6.175 1.527 433 HG3 GLU 57 HG1 GLU 57 -0.394 6.589 2.160 434 H LEU 58 HN LEU 58 0.518 3.789 4.834 435 HA LEU 58 HA LEU 58 1.020 6.097 6.536 436 HB2 LEU 58 HB2 LEU 58 2.368 3.378 6.372 437 HB3 LEU 58 HB1 LEU 58 2.847 4.652 7.492 438 HG LEU 58 HG LEU 58 0.095 3.335 7.454 439 HD11 LEU 58 HD11 LEU 58 0.727 2.193 9.511 440 HD12 LEU 58 HD12 LEU 58 2.362 2.864 9.409 441 HD13 LEU 58 HD13 LEU 58 1.793 1.725 8.183 442 HD21 LEU 58 HD21 LEU 58 -0.033 5.624 8.299 443 HD22 LEU 58 HD22 LEU 58 1.299 5.325 9.417 444 HD23 LEU 58 HD23 LEU 58 -0.242 4.493 9.633 445 H ARG 59 HN ARG 59 3.306 6.949 6.591 446 HA ARG 59 HA ARG 59 3.843 8.017 4.054 447 HB2 ARG 59 HB2 ARG 59 5.771 9.127 5.017 448 HB3 ARG 59 HB1 ARG 59 4.388 9.244 6.126 449 HG2 ARG 59 HG2 ARG 59 5.330 7.462 7.535 450 HG3 ARG 59 HG1 ARG 59 6.674 7.250 6.413 451 HD2 ARG 59 HD2 ARG 59 7.445 9.546 6.913 452 HD3 ARG 59 HD1 ARG 59 6.096 9.750 8.040 453 HE ARG 59 HE ARG 59 7.548 7.450 8.760 454 HH11 ARG 59 HH11 ARG 59 7.991 10.945 8.776 455 HH12 ARG 59 HH12 ARG 59 9.088 10.919 10.118 456 HH21 ARG 59 HH21 ARG 59 8.969 7.429 10.541 457 HH22 ARG 59 HH22 ARG 59 9.649 8.914 11.129 458 HA PRO 60 HA PRO 60 7.012 5.257 2.375 459 HB2 PRO 60 HB2 PRO 60 8.466 7.036 0.892 460 HB3 PRO 60 HB1 PRO 60 6.840 6.507 0.405 461 HG2 PRO 60 HG2 PRO 60 7.663 9.039 1.795 462 HG3 PRO 60 HG1 PRO 60 6.539 8.809 0.436 463 HD2 PRO 60 HD2 PRO 60 5.687 9.111 3.030 464 HD3 PRO 60 HD1 PRO 60 4.794 8.141 1.818 465 H ASP 61 HN ASP 61 9.237 4.799 2.684 466 HA ASP 61 HA ASP 61 10.633 6.331 4.806 467 HB2 ASP 61 HB2 ASP 61 10.091 3.950 5.350 468 HB3 ASP 61 HB1 ASP 61 11.031 3.416 3.959 469 H VAL 62 HN VAL 62 11.781 4.092 2.256 470 HA VAL 62 HA VAL 62 13.873 5.977 1.433 471 HB VAL 62 HB VAL 62 14.719 4.111 0.011 472 HG11 VAL 62 HG11 VAL 62 14.239 3.296 2.898 473 HG12 VAL 62 HG12 VAL 62 15.535 4.343 2.315 474 HG13 VAL 62 HG13 VAL 62 15.490 2.646 1.832 475 HG21 VAL 62 HG21 VAL 62 12.586 2.984 -0.521 476 HG22 VAL 62 HG22 VAL 62 12.411 2.479 1.161 477 HG23 VAL 62 HG23 VAL 62 13.732 1.840 0.181 478 H PHE 63 HN PHE 63 10.698 5.255 0.560 479 HA PHE 63 HA PHE 63 10.931 5.853 -2.289 480 HB2 PHE 63 HB2 PHE 63 8.453 5.352 -0.584 481 HB3 PHE 63 HB1 PHE 63 8.486 5.457 -2.340 482 HD1 PHE 63 HD1 PHE 63 8.950 3.294 0.535 483 HD2 PHE 63 HD2 PHE 63 9.741 3.671 -3.652 484 HE1 PHE 63 HE1 PHE 63 9.394 0.880 0.394 485 HE2 PHE 63 HE2 PHE 63 10.176 1.257 -3.786 486 HZ PHE 63 HZ PHE 63 10.007 -0.143 -1.763 487 H GLY 64 HN GLY 64 8.737 7.413 -2.827 488 HA2 GLY 64 HA2 GLY 64 7.921 9.569 -2.838 489 HA3 GLY 64 HA1 GLY 64 8.532 9.764 -1.198 490 H ALA 65 HN ALA 65 10.727 8.734 -3.653 491 HA ALA 65 HA ALA 65 11.822 11.351 -4.244 492 HB1 ALA 65 HB1 ALA 65 14.034 10.883 -3.185 493 HB2 ALA 65 HB2 ALA 65 13.379 9.411 -2.461 494 HB3 ALA 65 HB3 ALA 65 12.745 10.986 -1.983 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -13.798 -2.083 11.589 2 H2 MET 1 HT2 MET 1 -15.314 -2.825 11.622 3 H3 MET 1 HT3 MET 1 -15.189 -1.172 11.290 4 HA MET 1 HA MET 1 -14.197 -3.392 9.614 5 HB2 MET 1 HB2 MET 1 -16.435 -1.375 9.115 6 HB3 MET 1 HB1 MET 1 -15.887 -2.592 7.964 7 HG2 MET 1 HG2 MET 1 -17.938 -3.328 9.005 8 HG3 MET 1 HG1 MET 1 -16.608 -4.365 9.527 9 HE1 MET 1 HE1 MET 1 -18.010 -5.330 11.585 10 HE2 MET 1 HE2 MET 1 -19.398 -4.375 11.059 11 HE3 MET 1 HE3 MET 1 -18.868 -4.307 12.738 12 H ASN 2 HN ASN 2 -12.131 -2.647 9.259 13 HA ASN 2 HA ASN 2 -11.427 0.073 8.586 14 HB2 ASN 2 HB2 ASN 2 -9.872 -2.517 8.108 15 HB3 ASN 2 HB1 ASN 2 -9.204 -0.889 8.006 16 HD21 ASN 2 HD21 ASN 2 -7.653 -1.357 9.544 17 HD22 ASN 2 HD22 ASN 2 -8.018 -1.567 11.223 18 H ALA 3 HN ALA 3 -10.495 0.667 6.446 19 HA ALA 3 HA ALA 3 -11.909 -0.084 4.161 20 HB1 ALA 3 HB1 ALA 3 -10.654 1.999 4.336 21 HB2 ALA 3 HB2 ALA 3 -10.196 1.104 2.888 22 HB3 ALA 3 HB3 ALA 3 -9.128 1.109 4.299 23 H ILE 4 HN ILE 4 -8.824 -1.266 5.411 24 HA ILE 4 HA ILE 4 -8.140 -3.042 3.334 25 HB ILE 4 HB ILE 4 -7.567 -3.574 6.277 26 HG12 ILE 4 HG12 ILE 4 -5.239 -2.497 5.667 27 HG13 ILE 4 HG11 ILE 4 -6.127 -1.702 4.379 28 HG21 ILE 4 HG21 ILE 4 -7.117 -5.506 4.834 29 HG22 ILE 4 HG22 ILE 4 -5.609 -4.853 5.471 30 HG23 ILE 4 HG23 ILE 4 -6.080 -4.515 3.803 31 HD11 ILE 4 HD11 ILE 4 -5.828 -0.263 6.301 32 HD12 ILE 4 HD12 ILE 4 -6.649 -1.426 7.342 33 HD13 ILE 4 HD13 ILE 4 -7.543 -0.603 6.059 34 H ASP 5 HN ASP 5 -10.185 -3.384 6.194 35 HA ASP 5 HA ASP 5 -10.888 -6.117 5.934 36 HB2 ASP 5 HB2 ASP 5 -11.060 -4.989 8.070 37 HB3 ASP 5 HB1 ASP 5 -12.191 -3.811 7.419 38 H ILE 6 HN ILE 6 -12.431 -3.144 4.744 39 HA ILE 6 HA ILE 6 -14.828 -4.393 3.790 40 HB ILE 6 HB ILE 6 -13.592 -1.682 3.155 41 HG12 ILE 6 HG12 ILE 6 -14.376 -1.919 5.490 42 HG13 ILE 6 HG11 ILE 6 -15.364 -0.760 4.618 43 HG21 ILE 6 HG21 ILE 6 -15.755 -0.998 2.139 44 HG22 ILE 6 HG22 ILE 6 -16.348 -2.653 2.300 45 HG23 ILE 6 HG23 ILE 6 -14.989 -2.305 1.233 46 HD11 ILE 6 HD11 ILE 6 -17.131 -2.445 4.395 47 HD12 ILE 6 HD12 ILE 6 -16.710 -2.151 6.082 48 HD13 ILE 6 HD13 ILE 6 -16.132 -3.607 5.272 49 H ALA 7 HN ALA 7 -11.651 -3.753 2.425 50 HA ALA 7 HA ALA 7 -12.240 -4.504 -0.276 51 HB1 ALA 7 HB1 ALA 7 -10.300 -3.095 0.284 52 HB2 ALA 7 HB2 ALA 7 -9.824 -4.541 -0.617 53 HB3 ALA 7 HB3 ALA 7 -9.559 -4.456 1.134 54 H ILE 8 HN ILE 8 -11.086 -6.250 2.587 55 HA ILE 8 HA ILE 8 -10.604 -8.805 1.556 56 HB ILE 8 HB ILE 8 -11.829 -7.967 4.223 57 HG12 ILE 8 HG12 ILE 8 -8.985 -8.885 3.618 58 HG13 ILE 8 HG11 ILE 8 -9.470 -7.203 3.727 59 HG21 ILE 8 HG21 ILE 8 -11.280 -10.214 5.109 60 HG22 ILE 8 HG22 ILE 8 -10.822 -10.733 3.485 61 HG23 ILE 8 HG23 ILE 8 -12.491 -10.282 3.830 62 HD11 ILE 8 HD11 ILE 8 -8.389 -7.860 5.748 63 HD12 ILE 8 HD12 ILE 8 -9.476 -9.230 5.951 64 HD13 ILE 8 HD13 ILE 8 -10.096 -7.584 6.095 65 H ASN 9 HN ASN 9 -13.661 -7.399 2.729 66 HA ASN 9 HA ASN 9 -15.312 -9.618 2.032 67 HB2 ASN 9 HB2 ASN 9 -15.983 -6.742 2.730 68 HB3 ASN 9 HB1 ASN 9 -17.214 -7.966 2.429 69 HD21 ASN 9 HD21 ASN 9 -15.040 -6.658 4.738 70 HD22 ASN 9 HD22 ASN 9 -15.369 -7.769 6.015 71 H LYS 10 HN LYS 10 -14.336 -6.695 0.318 72 HA LYS 10 HA LYS 10 -16.360 -6.654 -1.666 73 HB2 LYS 10 HB2 LYS 10 -14.823 -4.745 -1.012 74 HB3 LYS 10 HB1 LYS 10 -13.537 -5.519 -1.922 75 HG2 LYS 10 HG2 LYS 10 -16.147 -4.808 -3.272 76 HG3 LYS 10 HG1 LYS 10 -14.929 -3.571 -2.988 77 HD2 LYS 10 HD2 LYS 10 -13.288 -4.889 -4.298 78 HD3 LYS 10 HD1 LYS 10 -14.522 -6.117 -4.600 79 HE2 LYS 10 HE2 LYS 10 -15.899 -4.359 -5.758 80 HE3 LYS 10 HE1 LYS 10 -14.550 -3.236 -5.555 81 HZ1 LYS 10 HZ1 LYS 10 -14.564 -4.287 -7.739 82 HZ2 LYS 10 HZ2 LYS 10 -14.437 -5.814 -7.022 83 HZ3 LYS 10 HZ3 LYS 10 -13.172 -4.699 -6.870 84 H LEU 11 HN LEU 11 -13.076 -8.003 -1.675 85 HA LEU 11 HA LEU 11 -13.400 -9.212 -4.289 86 HB2 LEU 11 HB2 LEU 11 -11.201 -9.705 -2.254 87 HB3 LEU 11 HB1 LEU 11 -11.175 -10.138 -3.959 88 HG LEU 11 HG LEU 11 -10.967 -7.363 -2.729 89 HD11 LEU 11 HD11 LEU 11 -8.872 -7.227 -4.022 90 HD12 LEU 11 HD12 LEU 11 -9.127 -8.880 -4.592 91 HD13 LEU 11 HD13 LEU 11 -8.877 -8.565 -2.876 92 HD21 LEU 11 HD21 LEU 11 -11.003 -6.365 -4.951 93 HD22 LEU 11 HD22 LEU 11 -12.534 -7.158 -4.604 94 HD23 LEU 11 HD23 LEU 11 -11.370 -7.934 -5.683 95 H GLY 12 HN GLY 12 -13.798 -10.153 -0.940 96 HA2 GLY 12 HA2 GLY 12 -15.421 -11.829 -0.370 97 HA3 GLY 12 HA1 GLY 12 -14.978 -12.728 -1.815 98 H SER 13 HN SER 13 -12.050 -11.757 -0.607 99 HA SER 13 HA SER 13 -11.741 -13.419 1.701 100 HB2 SER 13 HB2 SER 13 -10.233 -15.144 0.692 101 HB3 SER 13 HB1 SER 13 -11.875 -15.254 0.061 102 HG SER 13 HG SER 13 -11.123 -14.038 -1.766 103 H VAL 14 HN VAL 14 -9.521 -13.557 2.451 104 HA VAL 14 HA VAL 14 -7.944 -11.184 1.959 105 HB VAL 14 HB VAL 14 -7.841 -13.489 3.938 106 HG11 VAL 14 HG11 VAL 14 -5.622 -11.434 3.652 107 HG12 VAL 14 HG12 VAL 14 -5.476 -13.167 3.379 108 HG13 VAL 14 HG13 VAL 14 -5.808 -12.564 4.999 109 HG21 VAL 14 HG21 VAL 14 -7.959 -11.619 5.583 110 HG22 VAL 14 HG22 VAL 14 -9.313 -11.632 4.455 111 HG23 VAL 14 HG23 VAL 14 -7.993 -10.471 4.228 112 H SER 15 HN SER 15 -7.839 -14.594 1.103 113 HA SER 15 HA SER 15 -5.159 -14.700 0.188 114 HB2 SER 15 HB2 SER 15 -6.131 -16.719 -1.215 115 HB3 SER 15 HB1 SER 15 -6.089 -16.824 0.546 116 HG SER 15 HG SER 15 -8.176 -16.873 0.573 117 H ALA 16 HN ALA 16 -8.210 -13.880 -1.438 118 HA ALA 16 HA ALA 16 -7.063 -13.374 -4.022 119 HB1 ALA 16 HB1 ALA 16 -9.470 -13.829 -3.754 120 HB2 ALA 16 HB2 ALA 16 -9.206 -12.277 -4.548 121 HB3 ALA 16 HB3 ALA 16 -9.665 -12.330 -2.842 122 H LEU 17 HN LEU 17 -7.794 -11.360 -1.170 123 HA LEU 17 HA LEU 17 -7.275 -8.846 -2.331 124 HB2 LEU 17 HB2 LEU 17 -8.527 -9.115 -0.212 125 HB3 LEU 17 HB1 LEU 17 -7.053 -9.624 0.604 126 HG LEU 17 HG LEU 17 -6.050 -7.417 0.222 127 HD11 LEU 17 HD11 LEU 17 -7.359 -5.509 -0.657 128 HD12 LEU 17 HD12 LEU 17 -8.689 -6.605 -1.044 129 HD13 LEU 17 HD13 LEU 17 -7.141 -6.766 -1.873 130 HD21 LEU 17 HD21 LEU 17 -8.752 -7.157 1.535 131 HD22 LEU 17 HD22 LEU 17 -7.364 -6.085 1.764 132 HD23 LEU 17 HD23 LEU 17 -7.273 -7.768 2.287 133 H ALA 18 HN ALA 18 -5.207 -10.988 -0.479 134 HA ALA 18 HA ALA 18 -2.908 -9.338 -0.385 135 HB1 ALA 18 HB1 ALA 18 -3.388 -11.117 1.254 136 HB2 ALA 18 HB2 ALA 18 -1.789 -11.311 0.531 137 HB3 ALA 18 HB3 ALA 18 -3.129 -12.339 0.007 138 H ALA 19 HN ALA 19 -4.063 -11.794 -2.634 139 HA ALA 19 HA ALA 19 -1.735 -12.185 -4.186 140 HB1 ALA 19 HB1 ALA 19 -3.265 -13.069 -5.907 141 HB2 ALA 19 HB2 ALA 19 -4.642 -12.376 -5.043 142 HB3 ALA 19 HB3 ALA 19 -3.699 -13.668 -4.301 143 H ALA 20 HN ALA 20 -4.381 -9.829 -4.429 144 HA ALA 20 HA ALA 20 -3.427 -8.507 -6.809 145 HB1 ALA 20 HB1 ALA 20 -5.479 -7.607 -4.760 146 HB2 ALA 20 HB2 ALA 20 -5.817 -8.541 -6.220 147 HB3 ALA 20 HB3 ALA 20 -5.223 -6.882 -6.347 148 H LEU 21 HN LEU 21 -3.076 -8.020 -3.334 149 HA LEU 21 HA LEU 21 -1.787 -5.417 -3.571 150 HB2 LEU 21 HB2 LEU 21 -2.331 -7.186 -1.163 151 HB3 LEU 21 HB1 LEU 21 -1.604 -5.586 -1.070 152 HG LEU 21 HG LEU 21 -4.424 -6.199 -2.059 153 HD11 LEU 21 HD11 LEU 21 -3.482 -4.913 0.506 154 HD12 LEU 21 HD12 LEU 21 -4.314 -6.460 0.316 155 HD13 LEU 21 HD13 LEU 21 -5.164 -4.958 -0.046 156 HD21 LEU 21 HD21 LEU 21 -4.752 -3.763 -2.158 157 HD22 LEU 21 HD22 LEU 21 -3.489 -4.285 -3.267 158 HD23 LEU 21 HD23 LEU 21 -3.053 -3.512 -1.743 159 H GLY 22 HN GLY 22 -0.766 -8.637 -3.749 160 HA2 GLY 22 HA2 GLY 22 1.304 -9.467 -4.334 161 HA3 GLY 22 HA1 GLY 22 1.978 -7.852 -4.174 162 H VAL 23 HN VAL 23 0.224 -9.149 -1.495 163 HA VAL 23 HA VAL 23 2.727 -9.774 -0.011 164 HB VAL 23 HB VAL 23 1.526 -9.058 2.065 165 HG11 VAL 23 HG11 VAL 23 3.034 -7.481 0.953 166 HG12 VAL 23 HG12 VAL 23 1.679 -6.633 1.702 167 HG13 VAL 23 HG13 VAL 23 1.701 -6.884 -0.044 168 HG21 VAL 23 HG21 VAL 23 -0.679 -8.084 0.183 169 HG22 VAL 23 HG22 VAL 23 -0.582 -7.731 1.909 170 HG23 VAL 23 HG23 VAL 23 -0.823 -9.391 1.366 171 H ASN 24 HN ASN 24 1.951 -11.098 2.122 172 HA ASN 24 HA ASN 24 0.420 -13.424 1.203 173 HB2 ASN 24 HB2 ASN 24 1.285 -14.577 3.191 174 HB3 ASN 24 HB1 ASN 24 2.592 -13.872 2.258 175 HD21 ASN 24 HD21 ASN 24 2.620 -14.687 5.017 176 HD22 ASN 24 HD22 ASN 24 3.013 -13.291 5.958 177 H GLN 25 HN GLN 25 -0.987 -14.464 2.900 178 HA GLN 25 HA GLN 25 -3.193 -12.810 3.452 179 HB2 GLN 25 HB2 GLN 25 -2.466 -15.612 4.342 180 HB3 GLN 25 HB1 GLN 25 -3.952 -14.851 4.880 181 HG2 GLN 25 HG2 GLN 25 -4.469 -16.282 3.054 182 HG3 GLN 25 HG1 GLN 25 -4.663 -14.625 2.504 183 HE21 GLN 25 HE21 GLN 25 -3.265 -13.842 0.917 184 HE22 GLN 25 HE22 GLN 25 -2.250 -14.874 -0.018 185 H SER 26 HN SER 26 -0.538 -13.872 5.500 186 HA SER 26 HA SER 26 -1.498 -13.119 8.028 187 HB2 SER 26 HB2 SER 26 0.471 -14.556 7.736 188 HB3 SER 26 HB1 SER 26 1.370 -13.225 7.007 189 HG SER 26 HG SER 26 1.989 -13.018 9.028 190 H ALA 27 HN ALA 27 0.275 -11.271 5.552 191 HA ALA 27 HA ALA 27 0.816 -8.920 7.002 192 HB1 ALA 27 HB1 ALA 27 1.852 -9.406 4.828 193 HB2 ALA 27 HB2 ALA 27 1.086 -7.816 4.818 194 HB3 ALA 27 HB3 ALA 27 0.296 -9.183 4.024 195 H ILE 28 HN ILE 28 -2.017 -9.843 5.077 196 HA ILE 28 HA ILE 28 -3.420 -7.375 5.171 197 HB ILE 28 HB ILE 28 -4.593 -10.172 4.882 198 HG12 ILE 28 HG12 ILE 28 -2.792 -9.689 3.200 199 HG13 ILE 28 HG11 ILE 28 -4.375 -9.940 2.476 200 HG21 ILE 28 HG21 ILE 28 -6.446 -9.053 3.678 201 HG22 ILE 28 HG22 ILE 28 -5.720 -7.483 4.034 202 HG23 ILE 28 HG23 ILE 28 -6.322 -8.499 5.349 203 HD11 ILE 28 HD11 ILE 28 -4.623 -7.527 2.189 204 HD12 ILE 28 HD12 ILE 28 -3.173 -8.138 1.395 205 HD13 ILE 28 HD13 ILE 28 -3.041 -7.277 2.927 206 H SER 29 HN SER 29 -3.569 -10.294 7.180 207 HA SER 29 HA SER 29 -5.661 -9.596 8.920 208 HB2 SER 29 HB2 SER 29 -3.211 -11.279 9.619 209 HB3 SER 29 HB1 SER 29 -4.822 -11.384 10.344 210 HG SER 29 HG SER 29 -3.869 -12.429 7.991 211 H GLN 30 HN GLN 30 -2.205 -8.951 9.042 212 HA GLN 30 HA GLN 30 -2.126 -7.613 11.561 213 HB2 GLN 30 HB2 GLN 30 -0.192 -7.573 9.210 214 HB3 GLN 30 HB1 GLN 30 0.154 -6.891 10.798 215 HG2 GLN 30 HG2 GLN 30 0.046 -9.117 11.814 216 HG3 GLN 30 HG1 GLN 30 -0.425 -9.827 10.270 217 HE21 GLN 30 HE21 GLN 30 1.328 -11.216 10.177 218 HE22 GLN 30 HE22 GLN 30 2.950 -10.680 9.919 219 H TRP 31 HN TRP 31 -2.531 -6.534 8.180 220 HA TRP 31 HA TRP 31 -2.286 -3.731 8.667 221 HB2 TRP 31 HB2 TRP 31 -3.542 -5.279 6.384 222 HB3 TRP 31 HB1 TRP 31 -3.442 -3.522 6.393 223 HD1 TRP 31 HD1 TRP 31 -0.218 -4.269 7.788 224 HE1 TRP 31 HE1 TRP 31 1.598 -4.453 5.970 225 HE3 TRP 31 HE3 TRP 31 -3.205 -4.872 3.664 226 HZ2 TRP 31 HZ2 TRP 31 1.739 -4.813 3.186 227 HZ3 TRP 31 HZ3 TRP 31 -2.145 -5.112 1.472 228 HH2 TRP 31 HH2 TRP 31 0.274 -5.087 1.235 229 H ARG 32 HN ARG 32 -4.982 -5.970 8.739 230 HA ARG 32 HA ARG 32 -7.122 -4.108 8.996 231 HB2 ARG 32 HB2 ARG 32 -7.602 -6.430 8.358 232 HB3 ARG 32 HB1 ARG 32 -6.840 -7.038 9.823 233 HG2 ARG 32 HG2 ARG 32 -8.667 -5.797 11.127 234 HG3 ARG 32 HG1 ARG 32 -9.481 -5.561 9.582 235 HD2 ARG 32 HD2 ARG 32 -8.694 -8.338 10.495 236 HD3 ARG 32 HD1 ARG 32 -10.154 -7.576 11.113 237 HE ARG 32 HE ARG 32 -10.536 -7.332 8.484 238 HH11 ARG 32 HH11 ARG 32 -10.355 -11.261 9.330 239 HH12 ARG 32 HH12 ARG 32 -9.595 -10.128 10.397 240 HH21 ARG 32 HH21 ARG 32 -11.591 -8.842 7.140 241 HH22 ARG 32 HH22 ARG 32 -11.485 -10.535 7.487 242 H ALA 33 HN ALA 33 -5.090 -5.924 11.289 243 HA ALA 33 HA ALA 33 -6.325 -4.804 13.633 244 HB1 ALA 33 HB1 ALA 33 -5.395 -7.082 13.645 245 HB2 ALA 33 HB2 ALA 33 -4.621 -6.084 14.876 246 HB3 ALA 33 HB3 ALA 33 -3.776 -6.433 13.366 247 H ARG 34 HN ARG 34 -3.906 -3.685 11.502 248 HA ARG 34 HA ARG 34 -2.472 -1.991 13.389 249 HB2 ARG 34 HB2 ARG 34 -1.279 -3.045 11.506 250 HB3 ARG 34 HB1 ARG 34 -2.386 -2.306 10.365 251 HG2 ARG 34 HG2 ARG 34 -0.382 -1.084 10.213 252 HG3 ARG 34 HG1 ARG 34 -1.503 -0.055 11.090 253 HD2 ARG 34 HD2 ARG 34 -0.429 -0.600 13.207 254 HD3 ARG 34 HD1 ARG 34 0.640 -1.763 12.408 255 HE ARG 34 HE ARG 34 0.693 1.068 11.620 256 HH11 ARG 34 HH11 ARG 34 2.399 -1.638 13.048 257 HH12 ARG 34 HH12 ARG 34 3.931 -0.841 12.988 258 HH21 ARG 34 HH21 ARG 34 2.706 2.077 11.527 259 HH22 ARG 34 HH22 ARG 34 4.116 1.270 12.125 260 H GLY 35 HN GLY 35 -4.982 -1.785 10.952 261 HA2 GLY 35 HA2 GLY 35 -6.623 -0.156 10.634 262 HA3 GLY 35 HA1 GLY 35 -5.781 0.919 11.742 263 H ARG 36 HN ARG 36 -3.615 -0.417 9.518 264 HA ARG 36 HA ARG 36 -3.828 1.589 7.461 265 HB2 ARG 36 HB2 ARG 36 -2.920 2.854 9.471 266 HB3 ARG 36 HB1 ARG 36 -1.511 1.811 9.437 267 HG2 ARG 36 HG2 ARG 36 -0.810 2.699 7.322 268 HG3 ARG 36 HG1 ARG 36 -2.337 3.550 7.107 269 HD2 ARG 36 HD2 ARG 36 -0.277 4.160 9.236 270 HD3 ARG 36 HD1 ARG 36 -0.489 5.063 7.738 271 HE ARG 36 HE ARG 36 -2.341 4.993 10.036 272 HH11 ARG 36 HH11 ARG 36 -1.415 6.470 6.994 273 HH12 ARG 36 HH12 ARG 36 -2.453 7.840 7.202 274 HH21 ARG 36 HH21 ARG 36 -3.745 8.035 9.110 275 HH22 ARG 36 HH22 ARG 36 -3.660 6.803 10.331 276 H VAL 37 HN VAL 37 -2.376 1.254 5.772 277 HA VAL 37 HA VAL 37 -0.789 -1.244 5.787 278 HB VAL 37 HB VAL 37 -1.040 -1.267 3.330 279 HG11 VAL 37 HG11 VAL 37 -2.753 -2.389 4.690 280 HG12 VAL 37 HG12 VAL 37 -3.430 -1.773 3.186 281 HG13 VAL 37 HG13 VAL 37 -3.723 -0.914 4.699 282 HG21 VAL 37 HG21 VAL 37 -2.722 1.254 3.648 283 HG22 VAL 37 HG22 VAL 37 -2.525 0.333 2.154 284 HG23 VAL 37 HG23 VAL 37 -1.139 1.148 2.872 285 HA PRO 38 HA PRO 38 3.048 1.102 4.927 286 HB2 PRO 38 HB2 PRO 38 3.481 -0.948 2.743 287 HB3 PRO 38 HB1 PRO 38 4.581 -0.444 4.043 288 HG2 PRO 38 HG2 PRO 38 3.360 -2.768 4.217 289 HG3 PRO 38 HG1 PRO 38 3.481 -1.720 5.654 290 HD2 PRO 38 HD2 PRO 38 1.127 -2.125 3.813 291 HD3 PRO 38 HD1 PRO 38 1.166 -2.067 5.590 292 H ALA 39 HN ALA 39 4.218 2.108 3.036 293 HA ALA 39 HA ALA 39 2.496 3.944 1.823 294 HB1 ALA 39 HB1 ALA 39 4.812 4.421 2.447 295 HB2 ALA 39 HB2 ALA 39 4.528 4.804 0.749 296 HB3 ALA 39 HB3 ALA 39 5.397 3.330 1.185 297 H GLY 40 HN GLY 40 1.380 3.921 -0.032 298 HA2 GLY 40 HA2 GLY 40 0.807 3.651 -2.229 299 HA3 GLY 40 HA1 GLY 40 2.362 2.881 -2.511 300 H ARG 41 HN ARG 41 -0.636 2.159 -0.684 301 HA ARG 41 HA ARG 41 -0.961 -0.370 -2.147 302 HB2 ARG 41 HB2 ARG 41 0.442 -0.753 -0.029 303 HB3 ARG 41 HB1 ARG 41 -0.994 -0.357 0.898 304 HG2 ARG 41 HG2 ARG 41 -0.915 -2.729 0.821 305 HG3 ARG 41 HG1 ARG 41 -2.166 -2.266 -0.335 306 HD2 ARG 41 HD2 ARG 41 0.699 -2.996 -1.034 307 HD3 ARG 41 HD1 ARG 41 -0.687 -4.066 -1.190 308 HE ARG 41 HE ARG 41 -1.504 -2.140 -2.816 309 HH11 ARG 41 HH11 ARG 41 1.767 -3.408 -2.526 310 HH12 ARG 41 HH12 ARG 41 2.181 -3.062 -4.170 311 HH21 ARG 41 HH21 ARG 41 -0.904 -1.667 -4.973 312 HH22 ARG 41 HH22 ARG 41 0.669 -2.078 -5.552 313 H CYS 42 HN CYS 42 -2.252 2.085 -0.023 314 HA CYS 42 HA CYS 42 -4.949 1.224 0.020 315 HB2 CYS 42 HB2 CYS 42 -3.574 3.802 0.662 316 HB3 CYS 42 HB1 CYS 42 -5.329 3.823 0.455 317 H ILE 43 HN ILE 43 -3.096 2.613 -2.507 318 HA ILE 43 HA ILE 43 -4.969 3.713 -4.224 319 HB ILE 43 HB ILE 43 -2.699 1.796 -4.899 320 HG12 ILE 43 HG12 ILE 43 -1.940 3.832 -3.728 321 HG13 ILE 43 HG11 ILE 43 -1.387 3.832 -5.396 322 HG21 ILE 43 HG21 ILE 43 -4.216 3.618 -6.801 323 HG22 ILE 43 HG22 ILE 43 -4.222 1.855 -6.810 324 HG23 ILE 43 HG23 ILE 43 -2.744 2.732 -7.206 325 HD11 ILE 43 HD11 ILE 43 -3.178 5.436 -5.968 326 HD12 ILE 43 HD12 ILE 43 -2.084 6.050 -4.731 327 HD13 ILE 43 HD13 ILE 43 -3.680 5.458 -4.275 328 H ASP 44 HN ASP 44 -4.152 0.233 -3.927 329 HA ASP 44 HA ASP 44 -6.146 -0.660 -5.794 330 HB2 ASP 44 HB2 ASP 44 -4.854 -2.401 -3.662 331 HB3 ASP 44 HB1 ASP 44 -5.435 -2.886 -5.250 332 H ILE 45 HN ILE 45 -5.836 -0.593 -2.254 333 HA ILE 45 HA ILE 45 -8.213 -1.975 -1.619 334 HB ILE 45 HB ILE 45 -6.610 -0.004 0.065 335 HG12 ILE 45 HG12 ILE 45 -6.579 -3.066 -0.056 336 HG13 ILE 45 HG11 ILE 45 -5.287 -1.991 -0.588 337 HG21 ILE 45 HG21 ILE 45 -8.731 -1.979 0.997 338 HG22 ILE 45 HG22 ILE 45 -8.913 -0.224 0.952 339 HG23 ILE 45 HG23 ILE 45 -7.738 -0.958 2.041 340 HD11 ILE 45 HD11 ILE 45 -4.713 -2.991 1.520 341 HD12 ILE 45 HD12 ILE 45 -6.219 -2.442 2.262 342 HD13 ILE 45 HD13 ILE 45 -4.988 -1.267 1.769 343 H GLU 46 HN GLU 46 -7.615 1.476 -2.218 344 HA GLU 46 HA GLU 46 -10.166 2.441 -1.351 345 HB2 GLU 46 HB2 GLU 46 -8.224 3.968 -1.560 346 HB3 GLU 46 HB1 GLU 46 -8.210 3.723 -3.304 347 HG2 GLU 46 HG2 GLU 46 -10.502 4.722 -3.415 348 HG3 GLU 46 HG1 GLU 46 -10.403 5.054 -1.685 349 H LEU 47 HN LEU 47 -8.931 1.151 -4.382 350 HA LEU 47 HA LEU 47 -11.103 1.801 -6.070 351 HB2 LEU 47 HB2 LEU 47 -9.152 1.266 -7.215 352 HB3 LEU 47 HB1 LEU 47 -8.697 0.015 -6.081 353 HG LEU 47 HG LEU 47 -10.456 -1.439 -7.088 354 HD11 LEU 47 HD11 LEU 47 -11.281 -0.968 -9.368 355 HD12 LEU 47 HD12 LEU 47 -10.556 0.641 -9.297 356 HD13 LEU 47 HD13 LEU 47 -11.869 0.212 -8.198 357 HD21 LEU 47 HD21 LEU 47 -8.088 -1.755 -7.597 358 HD22 LEU 47 HD22 LEU 47 -8.194 -0.600 -8.928 359 HD23 LEU 47 HD23 LEU 47 -9.073 -2.130 -9.009 360 H TYR 48 HN TYR 48 -10.481 -0.774 -3.732 361 HA TYR 48 HA TYR 48 -12.892 -2.274 -4.417 362 HB2 TYR 48 HB2 TYR 48 -11.121 -2.679 -1.971 363 HB3 TYR 48 HB1 TYR 48 -12.224 -3.852 -2.707 364 HD1 TYR 48 HD1 TYR 48 -9.068 -3.923 -2.051 365 HD2 TYR 48 HD2 TYR 48 -11.342 -3.449 -5.643 366 HE1 TYR 48 HE1 TYR 48 -7.200 -4.823 -3.354 367 HE2 TYR 48 HE2 TYR 48 -9.466 -4.353 -6.936 368 HH TYR 48 HH TYR 48 -6.965 -4.551 -6.670 369 H THR 49 HN THR 49 -11.912 0.233 -2.185 370 HA THR 49 HA THR 49 -14.470 0.060 -0.670 371 HB THR 49 HB THR 49 -13.354 1.252 1.162 372 HG1 THR 49 HG1 THR 49 -10.832 1.155 -0.080 373 HG21 THR 49 HG21 THR 49 -11.579 -0.994 0.139 374 HG22 THR 49 HG22 THR 49 -13.057 -1.191 1.088 375 HG23 THR 49 HG23 THR 49 -11.657 -0.396 1.797 376 H ASP 50 HN ASP 50 -14.554 1.032 -3.108 377 HA ASP 50 HA ASP 50 -13.851 3.439 -4.037 378 HB2 ASP 50 HB2 ASP 50 -14.906 1.564 -5.290 379 HB3 ASP 50 HB1 ASP 50 -16.476 2.049 -4.677 380 H GLY 51 HN GLY 51 -14.164 4.637 -1.799 381 HA2 GLY 51 HA2 GLY 51 -15.011 6.665 -1.000 382 HA3 GLY 51 HA1 GLY 51 -16.416 6.507 -2.052 383 H ARG 52 HN ARG 52 -16.155 3.562 -0.636 384 HA ARG 52 HA ARG 52 -18.357 3.880 1.125 385 HB2 ARG 52 HB2 ARG 52 -17.722 1.775 -0.146 386 HB3 ARG 52 HB1 ARG 52 -16.406 1.545 0.991 387 HG2 ARG 52 HG2 ARG 52 -18.299 0.109 1.563 388 HG3 ARG 52 HG1 ARG 52 -18.036 1.301 2.840 389 HD2 ARG 52 HD2 ARG 52 -19.905 2.634 2.078 390 HD3 ARG 52 HD1 ARG 52 -20.090 1.644 0.628 391 HE ARG 52 HE ARG 52 -20.595 0.654 3.376 392 HH11 ARG 52 HH11 ARG 52 -22.858 -0.272 0.186 393 HH12 ARG 52 HH12 ARG 52 -21.501 0.784 -0.017 394 HH21 ARG 52 HH21 ARG 52 -23.371 -1.122 2.232 395 HH22 ARG 52 HH22 ARG 52 -22.401 -0.719 3.612 396 H VAL 53 HN VAL 53 -14.875 3.508 1.593 397 HA VAL 53 HA VAL 53 -14.931 4.948 4.106 398 HB VAL 53 HB VAL 53 -15.260 2.706 5.020 399 HG11 VAL 53 HG11 VAL 53 -13.774 0.801 4.550 400 HG12 VAL 53 HG12 VAL 53 -12.894 1.774 3.368 401 HG13 VAL 53 HG13 VAL 53 -14.589 1.365 3.084 402 HG21 VAL 53 HG21 VAL 53 -13.659 4.115 6.279 403 HG22 VAL 53 HG22 VAL 53 -12.320 3.435 5.353 404 HG23 VAL 53 HG23 VAL 53 -13.257 2.403 6.435 405 H GLU 54 HN GLU 54 -12.907 5.891 4.572 406 HA GLU 54 HA GLU 54 -11.055 6.257 2.418 407 HB2 GLU 54 HB2 GLU 54 -11.514 8.080 3.996 408 HB3 GLU 54 HB1 GLU 54 -10.970 7.098 5.353 409 HG2 GLU 54 HG2 GLU 54 -8.665 7.066 4.239 410 HG3 GLU 54 HG1 GLU 54 -9.283 8.276 3.121 411 H CYS 55 HN CYS 55 -9.461 4.813 1.899 412 HA CYS 55 HA CYS 55 -8.391 2.971 3.846 413 HB2 CYS 55 HB2 CYS 55 -8.538 2.398 1.405 414 HB3 CYS 55 HB1 CYS 55 -7.229 3.543 1.099 415 H ARG 56 HN ARG 56 -6.348 3.025 4.755 416 HA ARG 56 HA ARG 56 -5.110 5.717 4.922 417 HB2 ARG 56 HB2 ARG 56 -5.558 3.696 7.174 418 HB3 ARG 56 HB1 ARG 56 -4.825 5.294 7.345 419 HG2 ARG 56 HG2 ARG 56 -6.911 6.394 6.811 420 HG3 ARG 56 HG1 ARG 56 -7.666 4.870 6.352 421 HD2 ARG 56 HD2 ARG 56 -8.498 5.550 8.519 422 HD3 ARG 56 HD1 ARG 56 -7.500 4.107 8.701 423 HE ARG 56 HE ARG 56 -5.676 5.644 9.454 424 HH11 ARG 56 HH11 ARG 56 -8.994 6.690 9.792 425 HH12 ARG 56 HH12 ARG 56 -8.657 7.736 11.129 426 HH21 ARG 56 HH21 ARG 56 -5.265 6.914 11.282 427 HH22 ARG 56 HH22 ARG 56 -6.535 7.859 11.973 428 H GLU 57 HN GLU 57 -3.080 5.615 4.068 429 HA GLU 57 HA GLU 57 -1.445 3.203 4.614 430 HB2 GLU 57 HB2 GLU 57 -0.192 3.604 2.516 431 HB3 GLU 57 HB1 GLU 57 -1.893 3.258 2.238 432 HG2 GLU 57 HG2 GLU 57 -2.361 5.583 1.736 433 HG3 GLU 57 HG1 GLU 57 -0.718 6.047 2.204 434 H LEU 58 HN LEU 58 0.883 3.564 4.641 435 HA LEU 58 HA LEU 58 1.611 5.848 6.287 436 HB2 LEU 58 HB2 LEU 58 3.015 3.300 5.431 437 HB3 LEU 58 HB1 LEU 58 3.849 4.542 6.358 438 HG LEU 58 HG LEU 58 1.257 3.330 7.374 439 HD11 LEU 58 HD11 LEU 58 2.497 1.704 8.715 440 HD12 LEU 58 HD12 LEU 58 3.999 2.176 7.914 441 HD13 LEU 58 HD13 LEU 58 2.707 1.412 6.987 442 HD21 LEU 58 HD21 LEU 58 2.013 5.394 8.455 443 HD22 LEU 58 HD22 LEU 58 3.580 4.665 8.802 444 HD23 LEU 58 HD23 LEU 58 2.127 4.040 9.575 445 H ARG 59 HN ARG 59 3.539 7.154 5.800 446 HA ARG 59 HA ARG 59 3.712 7.967 3.058 447 HB2 ARG 59 HB2 ARG 59 5.315 9.633 3.745 448 HB3 ARG 59 HB1 ARG 59 3.982 9.615 4.903 449 HG2 ARG 59 HG2 ARG 59 6.577 8.136 5.462 450 HG3 ARG 59 HG1 ARG 59 6.401 9.851 5.818 451 HD2 ARG 59 HD2 ARG 59 4.696 7.619 6.980 452 HD3 ARG 59 HD1 ARG 59 6.000 8.465 7.823 453 HE ARG 59 HE ARG 59 3.311 9.398 7.351 454 HH11 ARG 59 HH11 ARG 59 6.588 10.464 8.024 455 HH12 ARG 59 HH12 ARG 59 6.081 11.992 8.665 456 HH21 ARG 59 HH21 ARG 59 3.868 12.546 8.716 457 HH22 ARG 59 HH22 ARG 59 2.682 11.439 8.109 458 HA PRO 60 HA PRO 60 7.182 5.519 1.592 459 HB2 PRO 60 HB2 PRO 60 8.531 7.318 -0.010 460 HB3 PRO 60 HB1 PRO 60 7.001 6.554 -0.486 461 HG2 PRO 60 HG2 PRO 60 7.465 9.276 0.691 462 HG3 PRO 60 HG1 PRO 60 6.405 8.804 -0.657 463 HD2 PRO 60 HD2 PRO 60 5.431 9.239 1.851 464 HD3 PRO 60 HD1 PRO 60 4.734 8.000 0.766 465 H ASP 61 HN ASP 61 7.805 8.554 3.216 466 HA ASP 61 HA ASP 61 10.552 8.163 3.887 467 HB2 ASP 61 HB2 ASP 61 9.583 10.396 3.964 468 HB3 ASP 61 HB1 ASP 61 8.331 9.875 5.082 469 H VAL 62 HN VAL 62 11.336 7.733 6.109 470 HA VAL 62 HA VAL 62 10.387 5.320 7.217 471 HB VAL 62 HB VAL 62 12.225 7.365 8.547 472 HG11 VAL 62 HG11 VAL 62 11.342 5.740 10.172 473 HG12 VAL 62 HG12 VAL 62 13.062 5.465 9.905 474 HG13 VAL 62 HG13 VAL 62 11.874 4.397 9.155 475 HG21 VAL 62 HG21 VAL 62 12.993 4.978 6.813 476 HG22 VAL 62 HG22 VAL 62 14.114 6.051 7.655 477 HG23 VAL 62 HG23 VAL 62 13.110 6.678 6.348 478 H PHE 63 HN PHE 63 8.329 5.361 7.913 479 HA PHE 63 HA PHE 63 7.091 7.372 9.486 480 HB2 PHE 63 HB2 PHE 63 5.290 5.655 9.842 481 HB3 PHE 63 HB1 PHE 63 5.700 5.917 8.158 482 HD1 PHE 63 HD1 PHE 63 5.689 3.476 10.913 483 HD2 PHE 63 HD2 PHE 63 6.821 4.137 6.840 484 HE1 PHE 63 HE1 PHE 63 5.955 1.062 10.583 485 HE2 PHE 63 HE2 PHE 63 7.090 1.719 6.529 486 HZ PHE 63 HZ PHE 63 6.659 0.170 8.401 487 H GLY 64 HN GLY 64 7.128 7.723 11.608 488 HA2 GLY 64 HA2 GLY 64 7.148 6.702 13.908 489 HA3 GLY 64 HA1 GLY 64 8.614 5.871 13.401 490 H ALA 65 HN ALA 65 9.003 7.207 15.557 491 HA ALA 65 HA ALA 65 10.758 9.416 14.866 492 HB1 ALA 65 HB1 ALA 65 8.440 9.900 16.794 493 HB2 ALA 65 HB2 ALA 65 8.615 10.612 15.190 494 HB3 ALA 65 HB3 ALA 65 9.761 11.027 16.466 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -14.326 -2.316 12.034 2 H2 MET 1 HT2 MET 1 -14.438 -0.734 11.452 3 H3 MET 1 HT3 MET 1 -12.924 -1.464 11.630 4 HA MET 1 HA MET 1 -13.429 -3.066 9.937 5 HB2 MET 1 HB2 MET 1 -15.915 -3.103 10.394 6 HB3 MET 1 HB1 MET 1 -16.061 -1.539 9.606 7 HG2 MET 1 HG2 MET 1 -15.256 -2.552 7.500 8 HG3 MET 1 HG1 MET 1 -15.173 -4.119 8.306 9 HE1 MET 1 HE1 MET 1 -16.697 -5.381 6.646 10 HE2 MET 1 HE2 MET 1 -16.757 -3.939 5.629 11 HE3 MET 1 HE3 MET 1 -18.247 -4.777 6.055 12 H ASN 2 HN ASN 2 -11.547 -1.826 9.410 13 HA ASN 2 HA ASN 2 -11.784 0.711 8.010 14 HB2 ASN 2 HB2 ASN 2 -9.285 0.553 7.800 15 HB3 ASN 2 HB1 ASN 2 -9.885 0.517 9.455 16 HD21 ASN 2 HD21 ASN 2 -8.156 -0.482 10.306 17 HD22 ASN 2 HD22 ASN 2 -7.698 -2.106 9.967 18 H ALA 3 HN ALA 3 -10.278 0.872 6.025 19 HA ALA 3 HA ALA 3 -11.723 -0.136 3.897 20 HB1 ALA 3 HB1 ALA 3 -10.387 1.906 3.788 21 HB2 ALA 3 HB2 ALA 3 -9.992 0.819 2.459 22 HB3 ALA 3 HB3 ALA 3 -8.895 0.956 3.837 23 H ILE 4 HN ILE 4 -8.879 -1.445 5.433 24 HA ILE 4 HA ILE 4 -8.031 -3.206 3.352 25 HB ILE 4 HB ILE 4 -7.440 -3.488 6.328 26 HG12 ILE 4 HG12 ILE 4 -5.184 -2.341 5.631 27 HG13 ILE 4 HG11 ILE 4 -6.089 -1.731 4.256 28 HG21 ILE 4 HG21 ILE 4 -5.435 -4.734 5.634 29 HG22 ILE 4 HG22 ILE 4 -5.897 -4.554 3.938 30 HG23 ILE 4 HG23 ILE 4 -6.901 -5.504 5.038 31 HD11 ILE 4 HD11 ILE 4 -6.615 -1.148 7.180 32 HD12 ILE 4 HD12 ILE 4 -7.628 -0.575 5.851 33 HD13 ILE 4 HD13 ILE 4 -5.945 -0.053 5.971 34 H ASP 5 HN ASP 5 -10.024 -3.469 6.233 35 HA ASP 5 HA ASP 5 -10.555 -6.275 6.101 36 HB2 ASP 5 HB2 ASP 5 -10.613 -4.969 8.199 37 HB3 ASP 5 HB1 ASP 5 -11.987 -4.040 7.602 38 H ILE 6 HN ILE 6 -12.230 -3.409 4.927 39 HA ILE 6 HA ILE 6 -14.635 -4.716 4.047 40 HB ILE 6 HB ILE 6 -13.422 -2.034 3.215 41 HG12 ILE 6 HG12 ILE 6 -15.572 -2.699 5.283 42 HG13 ILE 6 HG11 ILE 6 -13.944 -2.127 5.624 43 HG21 ILE 6 HG21 ILE 6 -15.671 -1.433 2.369 44 HG22 ILE 6 HG22 ILE 6 -16.257 -3.058 2.740 45 HG23 ILE 6 HG23 ILE 6 -15.018 -2.822 1.505 46 HD11 ILE 6 HD11 ILE 6 -16.175 -0.589 4.310 47 HD12 ILE 6 HD12 ILE 6 -14.524 0.006 4.498 48 HD13 ILE 6 HD13 ILE 6 -15.502 -0.347 5.921 49 H ALA 7 HN ALA 7 -11.535 -3.891 2.540 50 HA ALA 7 HA ALA 7 -12.185 -4.635 -0.120 51 HB1 ALA 7 HB1 ALA 7 -9.796 -4.614 -0.571 52 HB2 ALA 7 HB2 ALA 7 -9.445 -4.598 1.167 53 HB3 ALA 7 HB3 ALA 7 -10.249 -3.218 0.418 54 H ILE 8 HN ILE 8 -11.142 -6.520 2.660 55 HA ILE 8 HA ILE 8 -10.559 -9.013 1.478 56 HB ILE 8 HB ILE 8 -12.034 -8.477 4.107 57 HG12 ILE 8 HG12 ILE 8 -9.059 -9.002 3.655 58 HG13 ILE 8 HG11 ILE 8 -9.768 -7.434 4.012 59 HG21 ILE 8 HG21 ILE 8 -11.327 -10.757 4.789 60 HG22 ILE 8 HG22 ILE 8 -10.670 -11.034 3.172 61 HG23 ILE 8 HG23 ILE 8 -12.404 -10.786 3.398 62 HD11 ILE 8 HD11 ILE 8 -10.486 -8.262 6.203 63 HD12 ILE 8 HD12 ILE 8 -8.743 -8.393 5.969 64 HD13 ILE 8 HD13 ILE 8 -9.756 -9.829 5.839 65 H ASN 9 HN ASN 9 -13.625 -7.782 2.793 66 HA ASN 9 HA ASN 9 -15.275 -9.918 1.938 67 HB2 ASN 9 HB2 ASN 9 -16.074 -7.029 2.487 68 HB3 ASN 9 HB1 ASN 9 -17.172 -8.404 2.425 69 HD21 ASN 9 HD21 ASN 9 -16.762 -6.558 4.580 70 HD22 ASN 9 HD22 ASN 9 -16.239 -7.472 5.944 71 H LYS 10 HN LYS 10 -14.196 -7.002 0.341 72 HA LYS 10 HA LYS 10 -16.166 -6.881 -1.714 73 HB2 LYS 10 HB2 LYS 10 -14.641 -4.993 -0.803 74 HB3 LYS 10 HB1 LYS 10 -13.382 -5.614 -1.865 75 HG2 LYS 10 HG2 LYS 10 -16.103 -4.801 -2.943 76 HG3 LYS 10 HG1 LYS 10 -14.835 -3.625 -2.648 77 HD2 LYS 10 HD2 LYS 10 -13.335 -5.004 -4.177 78 HD3 LYS 10 HD1 LYS 10 -14.777 -5.935 -4.612 79 HE2 LYS 10 HE2 LYS 10 -14.292 -2.972 -5.048 80 HE3 LYS 10 HE1 LYS 10 -14.417 -4.215 -6.290 81 HZ1 LYS 10 HZ1 LYS 10 -16.575 -3.189 -4.538 82 HZ2 LYS 10 HZ2 LYS 10 -16.755 -4.534 -5.547 83 HZ3 LYS 10 HZ3 LYS 10 -16.436 -3.012 -6.213 84 H LEU 11 HN LEU 11 -12.878 -8.273 -1.576 85 HA LEU 11 HA LEU 11 -13.212 -9.450 -4.251 86 HB2 LEU 11 HB2 LEU 11 -10.858 -9.773 -2.361 87 HB3 LEU 11 HB1 LEU 11 -10.922 -10.251 -4.048 88 HG LEU 11 HG LEU 11 -10.534 -7.508 -2.845 89 HD11 LEU 11 HD11 LEU 11 -8.761 -7.330 -4.545 90 HD12 LEU 11 HD12 LEU 11 -9.211 -8.911 -5.187 91 HD13 LEU 11 HD13 LEU 11 -8.566 -8.771 -3.555 92 HD21 LEU 11 HD21 LEU 11 -12.468 -7.142 -4.295 93 HD22 LEU 11 HD22 LEU 11 -11.617 -7.885 -5.654 94 HD23 LEU 11 HD23 LEU 11 -11.029 -6.372 -4.948 95 H GLY 12 HN GLY 12 -14.080 -10.209 -1.113 96 HA2 GLY 12 HA2 GLY 12 -15.503 -12.039 -0.644 97 HA3 GLY 12 HA1 GLY 12 -14.677 -12.994 -1.865 98 H SER 13 HN SER 13 -11.964 -12.358 -0.932 99 HA SER 13 HA SER 13 -11.815 -13.522 1.756 100 HB2 SER 13 HB2 SER 13 -10.454 -15.449 1.010 101 HB3 SER 13 HB1 SER 13 -12.042 -15.486 0.242 102 HG SER 13 HG SER 13 -10.992 -15.547 -1.564 103 H VAL 14 HN VAL 14 -9.529 -13.792 2.455 104 HA VAL 14 HA VAL 14 -7.930 -11.461 1.841 105 HB VAL 14 HB VAL 14 -7.776 -13.725 3.870 106 HG11 VAL 14 HG11 VAL 14 -5.557 -11.688 3.456 107 HG12 VAL 14 HG12 VAL 14 -5.436 -13.427 3.191 108 HG13 VAL 14 HG13 VAL 14 -5.699 -12.809 4.817 109 HG21 VAL 14 HG21 VAL 14 -7.887 -10.698 4.088 110 HG22 VAL 14 HG22 VAL 14 -7.800 -11.815 5.464 111 HG23 VAL 14 HG23 VAL 14 -9.202 -11.843 4.401 112 H SER 15 HN SER 15 -7.906 -14.876 1.064 113 HA SER 15 HA SER 15 -5.247 -15.086 0.115 114 HB2 SER 15 HB2 SER 15 -6.120 -17.153 -1.057 115 HB3 SER 15 HB1 SER 15 -6.518 -17.090 0.660 116 HG SER 15 HG SER 15 -8.586 -16.820 0.198 117 H ALA 16 HN ALA 16 -8.315 -14.230 -1.426 118 HA ALA 16 HA ALA 16 -7.282 -13.780 -4.073 119 HB1 ALA 16 HB1 ALA 16 -9.848 -12.756 -2.795 120 HB2 ALA 16 HB2 ALA 16 -9.671 -14.282 -3.666 121 HB3 ALA 16 HB3 ALA 16 -9.481 -12.748 -4.518 122 H LEU 17 HN LEU 17 -7.938 -11.704 -1.249 123 HA LEU 17 HA LEU 17 -7.496 -9.205 -2.505 124 HB2 LEU 17 HB2 LEU 17 -8.704 -9.412 -0.351 125 HB3 LEU 17 HB1 LEU 17 -7.217 -9.926 0.436 126 HG LEU 17 HG LEU 17 -6.204 -7.730 0.049 127 HD11 LEU 17 HD11 LEU 17 -7.504 -5.824 -0.821 128 HD12 LEU 17 HD12 LEU 17 -8.835 -6.914 -1.222 129 HD13 LEU 17 HD13 LEU 17 -7.277 -7.077 -2.038 130 HD21 LEU 17 HD21 LEU 17 -8.914 -7.410 1.351 131 HD22 LEU 17 HD22 LEU 17 -7.482 -6.404 1.610 132 HD23 LEU 17 HD23 LEU 17 -7.476 -8.093 2.109 133 H ALA 18 HN ALA 18 -5.358 -11.263 -0.620 134 HA ALA 18 HA ALA 18 -3.116 -9.522 -0.556 135 HB1 ALA 18 HB1 ALA 18 -1.921 -11.448 0.380 136 HB2 ALA 18 HB2 ALA 18 -3.242 -12.521 -0.097 137 HB3 ALA 18 HB3 ALA 18 -3.518 -11.278 1.124 138 H ALA 19 HN ALA 19 -4.065 -12.231 -2.651 139 HA ALA 19 HA ALA 19 -1.739 -12.439 -4.238 140 HB1 ALA 19 HB1 ALA 19 -3.214 -13.525 -5.904 141 HB2 ALA 19 HB2 ALA 19 -4.636 -12.940 -5.035 142 HB3 ALA 19 HB3 ALA 19 -3.558 -14.104 -4.270 143 H ALA 20 HN ALA 20 -4.636 -10.421 -4.554 144 HA ALA 20 HA ALA 20 -4.012 -9.154 -7.022 145 HB1 ALA 20 HB1 ALA 20 -5.847 -8.216 -4.792 146 HB2 ALA 20 HB2 ALA 20 -6.297 -9.280 -6.128 147 HB3 ALA 20 HB3 ALA 20 -5.839 -7.602 -6.441 148 H LEU 21 HN LEU 21 -3.453 -8.255 -3.644 149 HA LEU 21 HA LEU 21 -2.297 -5.667 -4.200 150 HB2 LEU 21 HB2 LEU 21 -2.407 -7.336 -1.667 151 HB3 LEU 21 HB1 LEU 21 -1.750 -5.706 -1.732 152 HG LEU 21 HG LEU 21 -4.643 -6.405 -2.403 153 HD11 LEU 21 HD11 LEU 21 -3.502 -5.292 0.176 154 HD12 LEU 21 HD12 LEU 21 -4.298 -6.855 -0.060 155 HD13 LEU 21 HD13 LEU 21 -5.222 -5.366 -0.229 156 HD21 LEU 21 HD21 LEU 21 -3.326 -3.713 -1.945 157 HD22 LEU 21 HD22 LEU 21 -5.042 -3.992 -2.267 158 HD23 LEU 21 HD23 LEU 21 -3.844 -4.361 -3.503 159 H GLY 22 HN GLY 22 -1.129 -8.879 -4.243 160 HA2 GLY 22 HA2 GLY 22 0.932 -9.733 -4.820 161 HA3 GLY 22 HA1 GLY 22 1.572 -8.098 -4.890 162 H VAL 23 HN VAL 23 -0.047 -9.201 -2.029 163 HA VAL 23 HA VAL 23 2.500 -9.362 -0.523 164 HB VAL 23 HB VAL 23 1.387 -8.306 1.378 165 HG11 VAL 23 HG11 VAL 23 2.423 -6.789 -0.253 166 HG12 VAL 23 HG12 VAL 23 1.004 -6.035 0.479 167 HG13 VAL 23 HG13 VAL 23 0.903 -6.691 -1.157 168 HG21 VAL 23 HG21 VAL 23 -0.909 -9.187 1.084 169 HG22 VAL 23 HG22 VAL 23 -1.138 -8.162 -0.334 170 HG23 VAL 23 HG23 VAL 23 -0.937 -7.435 1.258 171 H ASN 24 HN ASN 24 1.815 -10.343 1.842 172 HA ASN 24 HA ASN 24 0.826 -13.054 1.306 173 HB2 ASN 24 HB2 ASN 24 2.930 -12.625 2.600 174 HB3 ASN 24 HB1 ASN 24 1.980 -11.894 3.876 175 HD21 ASN 24 HD21 ASN 24 2.599 -13.386 5.435 176 HD22 ASN 24 HD22 ASN 24 2.130 -15.044 5.415 177 H GLN 25 HN GLN 25 -0.574 -14.091 2.937 178 HA GLN 25 HA GLN 25 -3.081 -12.723 3.076 179 HB2 GLN 25 HB2 GLN 25 -2.220 -15.449 4.115 180 HB3 GLN 25 HB1 GLN 25 -3.854 -14.841 4.306 181 HG2 GLN 25 HG2 GLN 25 -3.929 -16.272 2.442 182 HG3 GLN 25 HG1 GLN 25 -3.976 -14.638 1.785 183 HE21 GLN 25 HE21 GLN 25 -2.182 -13.894 0.580 184 HE22 GLN 25 HE22 GLN 25 -0.959 -14.951 -0.020 185 H SER 26 HN SER 26 -0.736 -13.737 5.558 186 HA SER 26 HA SER 26 -2.268 -12.869 7.806 187 HB2 SER 26 HB2 SER 26 -0.426 -14.554 7.958 188 HB3 SER 26 HB1 SER 26 0.749 -13.286 7.625 189 HG SER 26 HG SER 26 -0.791 -12.483 9.645 190 H ALA 27 HN ALA 27 -0.132 -11.243 5.590 191 HA ALA 27 HA ALA 27 0.455 -8.868 7.003 192 HB1 ALA 27 HB1 ALA 27 0.919 -7.874 4.799 193 HB2 ALA 27 HB2 ALA 27 0.100 -9.222 4.002 194 HB3 ALA 27 HB3 ALA 27 1.591 -9.503 4.901 195 H ILE 28 HN ILE 28 -2.326 -9.828 5.056 196 HA ILE 28 HA ILE 28 -3.655 -7.316 4.901 197 HB ILE 28 HB ILE 28 -4.871 -10.114 4.778 198 HG12 ILE 28 HG12 ILE 28 -3.072 -9.855 3.111 199 HG13 ILE 28 HG11 ILE 28 -4.646 -9.954 2.332 200 HG21 ILE 28 HG21 ILE 28 -6.673 -9.064 3.480 201 HG22 ILE 28 HG22 ILE 28 -5.936 -7.477 3.727 202 HG23 ILE 28 HG23 ILE 28 -6.574 -8.389 5.103 203 HD11 ILE 28 HD11 ILE 28 -4.624 -7.500 2.061 204 HD12 ILE 28 HD12 ILE 28 -3.287 -8.307 1.247 205 HD13 ILE 28 HD13 ILE 28 -3.007 -7.465 2.770 206 H SER 29 HN SER 29 -4.223 -10.170 6.949 207 HA SER 29 HA SER 29 -6.232 -9.076 8.597 208 HB2 SER 29 HB2 SER 29 -4.244 -11.313 9.192 209 HB3 SER 29 HB1 SER 29 -5.753 -11.014 10.065 210 HG SER 29 HG SER 29 -5.378 -12.361 7.767 211 H GLN 30 HN GLN 30 -2.812 -8.703 8.597 212 HA GLN 30 HA GLN 30 -2.508 -7.689 11.291 213 HB2 GLN 30 HB2 GLN 30 -0.696 -8.927 10.125 214 HB3 GLN 30 HB1 GLN 30 -0.618 -7.670 8.894 215 HG2 GLN 30 HG2 GLN 30 0.115 -6.056 10.627 216 HG3 GLN 30 HG1 GLN 30 0.079 -7.349 11.829 217 HE21 GLN 30 HE21 GLN 30 1.716 -8.911 11.794 218 HE22 GLN 30 HE22 GLN 30 3.147 -8.771 10.836 219 H TRP 31 HN TRP 31 -2.798 -6.339 8.021 220 HA TRP 31 HA TRP 31 -2.286 -3.613 8.716 221 HB2 TRP 31 HB2 TRP 31 -3.664 -4.851 6.319 222 HB3 TRP 31 HB1 TRP 31 -3.369 -3.123 6.475 223 HD1 TRP 31 HD1 TRP 31 -0.245 -3.978 7.734 224 HE1 TRP 31 HE1 TRP 31 1.517 -4.339 5.887 225 HE3 TRP 31 HE3 TRP 31 -3.347 -4.738 3.731 226 HZ2 TRP 31 HZ2 TRP 31 1.581 -4.896 3.137 227 HZ3 TRP 31 HZ3 TRP 31 -2.363 -5.173 1.543 228 HH2 TRP 31 HH2 TRP 31 0.041 -5.239 1.250 229 H ARG 32 HN ARG 32 -5.183 -5.586 8.431 230 HA ARG 32 HA ARG 32 -7.052 -3.433 8.773 231 HB2 ARG 32 HB2 ARG 32 -8.748 -5.072 8.646 232 HB3 ARG 32 HB1 ARG 32 -7.460 -5.729 7.645 233 HG2 ARG 32 HG2 ARG 32 -6.782 -7.210 9.452 234 HG3 ARG 32 HG1 ARG 32 -8.039 -6.542 10.492 235 HD2 ARG 32 HD2 ARG 32 -9.746 -7.336 8.824 236 HD3 ARG 32 HD1 ARG 32 -8.433 -8.122 7.935 237 HE ARG 32 HE ARG 32 -8.155 -9.068 10.450 238 HH11 ARG 32 HH11 ARG 32 -10.850 -9.031 8.193 239 HH12 ARG 32 HH12 ARG 32 -11.553 -10.489 8.815 240 HH21 ARG 32 HH21 ARG 32 -9.116 -10.955 11.299 241 HH22 ARG 32 HH22 ARG 32 -10.563 -11.587 10.583 242 H ALA 33 HN ALA 33 -5.270 -5.576 10.868 243 HA ALA 33 HA ALA 33 -6.595 -4.770 13.293 244 HB1 ALA 33 HB1 ALA 33 -5.462 -6.943 13.132 245 HB2 ALA 33 HB2 ALA 33 -4.734 -5.972 14.411 246 HB3 ALA 33 HB3 ALA 33 -3.914 -6.136 12.856 247 H ARG 34 HN ARG 34 -3.831 -3.708 11.416 248 HA ARG 34 HA ARG 34 -2.599 -1.955 13.300 249 HB2 ARG 34 HB2 ARG 34 -1.435 -3.018 11.380 250 HB3 ARG 34 HB1 ARG 34 -2.412 -2.087 10.262 251 HG2 ARG 34 HG2 ARG 34 -0.861 -0.469 10.274 252 HG3 ARG 34 HG1 ARG 34 -1.163 -0.184 11.983 253 HD2 ARG 34 HD2 ARG 34 0.554 -1.797 12.600 254 HD3 ARG 34 HD1 ARG 34 0.792 -2.243 10.911 255 HE ARG 34 HE ARG 34 1.266 0.553 11.701 256 HH11 ARG 34 HH11 ARG 34 4.257 -1.830 10.445 257 HH12 ARG 34 HH12 ARG 34 2.708 -2.525 10.775 258 HH21 ARG 34 HH21 ARG 34 3.324 1.432 11.257 259 HH22 ARG 34 HH22 ARG 34 4.607 0.402 10.718 260 H GLY 35 HN GLY 35 -5.200 -1.681 11.010 261 HA2 GLY 35 HA2 GLY 35 -6.795 -0.009 10.791 262 HA3 GLY 35 HA1 GLY 35 -5.831 1.061 11.794 263 H ARG 36 HN ARG 36 -3.728 -0.145 9.572 264 HA ARG 36 HA ARG 36 -4.089 1.721 7.411 265 HB2 ARG 36 HB2 ARG 36 -2.065 3.143 8.047 266 HB3 ARG 36 HB1 ARG 36 -3.485 3.390 9.050 267 HG2 ARG 36 HG2 ARG 36 -2.397 1.700 10.689 268 HG3 ARG 36 HG1 ARG 36 -0.920 1.963 9.763 269 HD2 ARG 36 HD2 ARG 36 -0.986 4.359 10.314 270 HD3 ARG 36 HD1 ARG 36 -2.516 4.137 11.171 271 HE ARG 36 HE ARG 36 -0.263 2.541 12.107 272 HH11 ARG 36 HH11 ARG 36 -2.124 5.485 12.624 273 HH12 ARG 36 HH12 ARG 36 -1.569 5.674 14.257 274 HH21 ARG 36 HH21 ARG 36 -0.135 4.145 15.179 275 HH22 ARG 36 HH22 ARG 36 0.404 2.786 14.242 276 H VAL 37 HN VAL 37 -2.324 1.600 5.875 277 HA VAL 37 HA VAL 37 -0.743 -0.917 6.090 278 HB VAL 37 HB VAL 37 -0.890 -1.165 3.682 279 HG11 VAL 37 HG11 VAL 37 -2.800 -2.031 4.928 280 HG12 VAL 37 HG12 VAL 37 -3.302 -1.462 3.338 281 HG13 VAL 37 HG13 VAL 37 -3.635 -0.481 4.767 282 HG21 VAL 37 HG21 VAL 37 -2.337 1.505 3.614 283 HG22 VAL 37 HG22 VAL 37 -2.139 0.423 2.234 284 HG23 VAL 37 HG23 VAL 37 -0.727 1.167 2.978 285 HA PRO 38 HA PRO 38 3.092 1.448 5.218 286 HB2 PRO 38 HB2 PRO 38 3.671 -0.765 3.229 287 HB3 PRO 38 HB1 PRO 38 4.684 -0.137 4.549 288 HG2 PRO 38 HG2 PRO 38 3.491 -2.463 4.829 289 HG3 PRO 38 HG1 PRO 38 3.514 -1.315 6.189 290 HD2 PRO 38 HD2 PRO 38 1.269 -1.909 4.264 291 HD3 PRO 38 HD1 PRO 38 1.221 -1.724 6.034 292 H ALA 39 HN ALA 39 4.331 2.332 3.290 293 HA ALA 39 HA ALA 39 2.595 4.026 1.899 294 HB1 ALA 39 HB1 ALA 39 4.863 4.655 2.557 295 HB2 ALA 39 HB2 ALA 39 4.640 4.887 0.822 296 HB3 ALA 39 HB3 ALA 39 5.541 3.490 1.412 297 H GLY 40 HN GLY 40 1.569 3.859 -0.022 298 HA2 GLY 40 HA2 GLY 40 1.197 3.461 -2.253 299 HA3 GLY 40 HA1 GLY 40 2.733 2.617 -2.349 300 H ARG 41 HN ARG 41 -0.403 2.157 -0.684 301 HA ARG 41 HA ARG 41 -0.805 -0.415 -1.972 302 HB2 ARG 41 HB2 ARG 41 0.673 -0.930 -0.013 303 HB3 ARG 41 HB1 ARG 41 -0.542 -0.256 1.057 304 HG2 ARG 41 HG2 ARG 41 -0.729 -2.636 1.160 305 HG3 ARG 41 HG1 ARG 41 -2.136 -2.041 0.274 306 HD2 ARG 41 HD2 ARG 41 0.373 -3.154 -1.033 307 HD3 ARG 41 HD1 ARG 41 -1.090 -4.093 -0.716 308 HE ARG 41 HE ARG 41 -2.220 -2.292 -2.178 309 HH11 ARG 41 HH11 ARG 41 1.054 -3.464 -2.766 310 HH12 ARG 41 HH12 ARG 41 0.991 -3.132 -4.463 311 HH21 ARG 41 HH21 ARG 41 -0.924 -2.208 -5.388 312 HH22 ARG 41 HH22 ARG 41 -2.279 -1.853 -4.376 313 H CYS 42 HN CYS 42 -1.966 1.887 0.468 314 HA CYS 42 HA CYS 42 -4.648 0.979 0.572 315 HB2 CYS 42 HB2 CYS 42 -3.208 3.398 1.487 316 HB3 CYS 42 HB1 CYS 42 -4.926 3.641 1.199 317 H ILE 43 HN ILE 43 -3.007 2.844 -1.830 318 HA ILE 43 HA ILE 43 -5.008 4.059 -3.274 319 HB ILE 43 HB ILE 43 -2.665 2.404 -4.324 320 HG12 ILE 43 HG12 ILE 43 -2.988 5.423 -3.976 321 HG13 ILE 43 HG11 ILE 43 -2.031 4.368 -2.944 322 HG21 ILE 43 HG21 ILE 43 -4.420 4.306 -5.934 323 HG22 ILE 43 HG22 ILE 43 -4.326 2.554 -6.119 324 HG23 ILE 43 HG23 ILE 43 -2.928 3.549 -6.506 325 HD11 ILE 43 HD11 ILE 43 -1.491 4.992 -5.848 326 HD12 ILE 43 HD12 ILE 43 -0.530 3.907 -4.838 327 HD13 ILE 43 HD13 ILE 43 -0.627 5.624 -4.451 328 H ASP 44 HN ASP 44 -4.055 0.613 -3.466 329 HA ASP 44 HA ASP 44 -6.167 0.013 -5.369 330 HB2 ASP 44 HB2 ASP 44 -3.877 -0.934 -5.585 331 HB3 ASP 44 HB1 ASP 44 -4.109 -1.822 -4.084 332 H ILE 45 HN ILE 45 -5.517 -0.542 -1.943 333 HA ILE 45 HA ILE 45 -7.704 -2.268 -1.367 334 HB ILE 45 HB ILE 45 -6.084 -0.341 0.348 335 HG12 ILE 45 HG12 ILE 45 -6.135 -3.391 0.110 336 HG13 ILE 45 HG11 ILE 45 -4.840 -2.308 -0.396 337 HG21 ILE 45 HG21 ILE 45 -8.228 -2.243 1.350 338 HG22 ILE 45 HG22 ILE 45 -8.309 -0.481 1.361 339 HG23 ILE 45 HG23 ILE 45 -7.118 -1.307 2.359 340 HD11 ILE 45 HD11 ILE 45 -4.426 -1.747 1.973 341 HD12 ILE 45 HD12 ILE 45 -4.242 -3.466 1.631 342 HD13 ILE 45 HD13 ILE 45 -5.695 -2.886 2.452 343 H GLU 46 HN GLU 46 -7.415 1.268 -1.572 344 HA GLU 46 HA GLU 46 -10.096 1.826 -0.690 345 HB2 GLU 46 HB2 GLU 46 -8.187 3.452 -0.462 346 HB3 GLU 46 HB1 GLU 46 -8.193 3.660 -2.207 347 HG2 GLU 46 HG2 GLU 46 -10.502 4.542 -2.064 348 HG3 GLU 46 HG1 GLU 46 -10.450 4.361 -0.309 349 H LEU 47 HN LEU 47 -8.472 1.280 -3.759 350 HA LEU 47 HA LEU 47 -10.493 1.885 -5.587 351 HB2 LEU 47 HB2 LEU 47 -7.936 0.677 -5.659 352 HB3 LEU 47 HB1 LEU 47 -8.986 -0.583 -6.273 353 HG LEU 47 HG LEU 47 -8.666 2.216 -7.422 354 HD11 LEU 47 HD11 LEU 47 -7.740 -0.470 -8.509 355 HD12 LEU 47 HD12 LEU 47 -6.713 0.804 -7.842 356 HD13 LEU 47 HD13 LEU 47 -7.603 1.087 -9.335 357 HD21 LEU 47 HD21 LEU 47 -10.381 -0.076 -8.442 358 HD22 LEU 47 HD22 LEU 47 -10.086 1.447 -9.290 359 HD23 LEU 47 HD23 LEU 47 -10.961 1.451 -7.763 360 H TYR 48 HN TYR 48 -10.201 -0.787 -3.321 361 HA TYR 48 HA TYR 48 -12.507 -2.183 -4.442 362 HB2 TYR 48 HB2 TYR 48 -10.935 -2.860 -1.933 363 HB3 TYR 48 HB1 TYR 48 -12.109 -3.900 -2.762 364 HD1 TYR 48 HD1 TYR 48 -8.971 -4.269 -2.117 365 HD2 TYR 48 HD2 TYR 48 -11.187 -3.301 -5.647 366 HE1 TYR 48 HE1 TYR 48 -7.165 -5.177 -3.519 367 HE2 TYR 48 HE2 TYR 48 -9.386 -4.210 -7.027 368 HH TYR 48 HH TYR 48 -6.769 -4.568 -6.656 369 H THR 49 HN THR 49 -11.789 0.012 -1.761 370 HA THR 49 HA THR 49 -14.556 -0.211 -0.787 371 HB THR 49 HB THR 49 -13.901 1.414 0.960 372 HG1 THR 49 HG1 THR 49 -12.212 2.413 -0.547 373 HG21 THR 49 HG21 THR 49 -11.790 -0.754 0.634 374 HG22 THR 49 HG22 THR 49 -13.409 -1.016 1.282 375 HG23 THR 49 HG23 THR 49 -12.289 0.027 2.144 376 H ASP 50 HN ASP 50 -15.095 0.271 -3.035 377 HA ASP 50 HA ASP 50 -14.878 2.260 -4.720 378 HB2 ASP 50 HB2 ASP 50 -17.620 1.282 -3.805 379 HB3 ASP 50 HB1 ASP 50 -17.280 2.059 -5.348 380 H GLY 51 HN GLY 51 -17.213 2.590 -2.066 381 HA2 GLY 51 HA2 GLY 51 -16.520 5.407 -1.656 382 HA3 GLY 51 HA1 GLY 51 -18.175 5.070 -2.170 383 H ARG 52 HN ARG 52 -16.143 3.083 -0.050 384 HA ARG 52 HA ARG 52 -18.241 3.154 2.011 385 HB2 ARG 52 HB2 ARG 52 -15.786 1.382 1.743 386 HB3 ARG 52 HB1 ARG 52 -17.013 1.226 2.995 387 HG2 ARG 52 HG2 ARG 52 -17.506 0.853 0.020 388 HG3 ARG 52 HG1 ARG 52 -17.214 -0.446 1.172 389 HD2 ARG 52 HD2 ARG 52 -19.569 -0.386 0.867 390 HD3 ARG 52 HD1 ARG 52 -19.267 0.350 2.435 391 HE ARG 52 HE ARG 52 -20.088 2.351 1.665 392 HH11 ARG 52 HH11 ARG 52 -20.514 1.278 -2.182 393 HH12 ARG 52 HH12 ARG 52 -19.655 0.224 -1.105 394 HH21 ARG 52 HH21 ARG 52 -21.377 3.242 -1.431 395 HH22 ARG 52 HH22 ARG 52 -21.187 3.708 0.230 396 H VAL 53 HN VAL 53 -14.656 3.418 1.854 397 HA VAL 53 HA VAL 53 -14.574 5.443 3.925 398 HB VAL 53 HB VAL 53 -14.811 3.384 5.281 399 HG11 VAL 53 HG11 VAL 53 -13.858 1.753 3.737 400 HG12 VAL 53 HG12 VAL 53 -13.091 1.638 5.319 401 HG13 VAL 53 HG13 VAL 53 -12.244 2.426 3.986 402 HG21 VAL 53 HG21 VAL 53 -13.504 5.202 6.279 403 HG22 VAL 53 HG22 VAL 53 -12.024 4.590 5.533 404 HG23 VAL 53 HG23 VAL 53 -12.845 3.642 6.775 405 H GLU 54 HN GLU 54 -12.426 6.315 4.241 406 HA GLU 54 HA GLU 54 -10.731 6.248 1.874 407 HB2 GLU 54 HB2 GLU 54 -10.275 7.796 4.477 408 HB3 GLU 54 HB1 GLU 54 -9.540 8.108 2.913 409 HG2 GLU 54 HG2 GLU 54 -11.147 9.814 3.251 410 HG3 GLU 54 HG1 GLU 54 -11.842 8.723 2.055 411 H CYS 55 HN CYS 55 -8.871 4.993 1.733 412 HA CYS 55 HA CYS 55 -8.011 3.466 4.093 413 HB2 CYS 55 HB2 CYS 55 -8.308 2.434 1.762 414 HB3 CYS 55 HB1 CYS 55 -6.831 3.271 1.301 415 H ARG 56 HN ARG 56 -6.422 4.254 5.364 416 HA ARG 56 HA ARG 56 -4.716 6.441 4.393 417 HB2 ARG 56 HB2 ARG 56 -5.009 5.291 7.211 418 HB3 ARG 56 HB1 ARG 56 -4.014 6.671 6.776 419 HG2 ARG 56 HG2 ARG 56 -5.950 7.564 7.778 420 HG3 ARG 56 HG1 ARG 56 -6.146 7.852 6.051 421 HD2 ARG 56 HD2 ARG 56 -8.235 7.096 7.183 422 HD3 ARG 56 HD1 ARG 56 -7.729 6.011 5.880 423 HE ARG 56 HE ARG 56 -6.627 5.076 8.287 424 HH11 ARG 56 HH11 ARG 56 -9.826 5.363 6.846 425 HH12 ARG 56 HH12 ARG 56 -10.456 4.014 7.734 426 HH21 ARG 56 HH21 ARG 56 -7.466 3.292 9.387 427 HH22 ARG 56 HH22 ARG 56 -9.130 2.845 9.166 428 H GLU 57 HN GLU 57 -2.901 5.767 3.372 429 HA GLU 57 HA GLU 57 -1.330 3.520 4.451 430 HB2 GLU 57 HB2 GLU 57 0.126 3.864 2.395 431 HB3 GLU 57 HB1 GLU 57 -1.519 3.344 2.073 432 HG2 GLU 57 HG2 GLU 57 -2.123 5.693 1.498 433 HG3 GLU 57 HG1 GLU 57 -0.433 6.151 1.741 434 H LEU 58 HN LEU 58 0.935 3.824 4.783 435 HA LEU 58 HA LEU 58 1.476 6.234 6.294 436 HB2 LEU 58 HB2 LEU 58 3.090 3.681 5.905 437 HB3 LEU 58 HB1 LEU 58 3.509 4.973 7.023 438 HG LEU 58 HG LEU 58 0.952 3.324 7.201 439 HD11 LEU 58 HD11 LEU 58 1.942 2.168 9.113 440 HD12 LEU 58 HD12 LEU 58 3.469 3.023 8.864 441 HD13 LEU 58 HD13 LEU 58 2.881 1.885 7.648 442 HD21 LEU 58 HD21 LEU 58 2.154 5.321 9.141 443 HD22 LEU 58 HD22 LEU 58 0.737 4.315 9.452 444 HD23 LEU 58 HD23 LEU 58 0.684 5.532 8.182 445 H ARG 59 HN ARG 59 3.558 7.383 6.008 446 HA ARG 59 HA ARG 59 3.840 8.158 3.250 447 HB2 ARG 59 HB2 ARG 59 5.242 9.130 5.773 448 HB3 ARG 59 HB1 ARG 59 5.439 9.863 4.168 449 HG2 ARG 59 HG2 ARG 59 3.002 10.381 4.128 450 HG3 ARG 59 HG1 ARG 59 2.836 9.673 5.739 451 HD2 ARG 59 HD2 ARG 59 4.186 11.395 6.720 452 HD3 ARG 59 HD1 ARG 59 4.668 12.012 5.136 453 HE ARG 59 HE ARG 59 1.841 12.106 5.997 454 HH11 ARG 59 HH11 ARG 59 4.746 13.810 4.959 455 HH12 ARG 59 HH12 ARG 59 3.931 15.334 4.776 456 HH21 ARG 59 HH21 ARG 59 1.675 15.503 5.228 457 HH22 ARG 59 HH22 ARG 59 0.785 14.110 5.757 458 HA PRO 60 HA PRO 60 7.365 5.735 2.031 459 HB2 PRO 60 HB2 PRO 60 8.576 7.265 0.179 460 HB3 PRO 60 HB1 PRO 60 6.876 6.782 -0.024 461 HG2 PRO 60 HG2 PRO 60 7.978 9.374 1.048 462 HG3 PRO 60 HG1 PRO 60 6.753 9.109 -0.209 463 HD2 PRO 60 HD2 PRO 60 6.075 9.641 2.392 464 HD3 PRO 60 HD1 PRO 60 5.073 8.628 1.319 465 H ASP 61 HN ASP 61 7.982 6.695 4.516 466 HA ASP 61 HA ASP 61 10.215 8.017 5.220 467 HB2 ASP 61 HB2 ASP 61 8.780 6.830 6.824 468 HB3 ASP 61 HB1 ASP 61 9.309 5.274 6.203 469 H VAL 62 HN VAL 62 10.284 4.569 4.294 470 HA VAL 62 HA VAL 62 12.956 4.978 3.077 471 HB VAL 62 HB VAL 62 11.891 2.337 4.214 472 HG11 VAL 62 HG11 VAL 62 14.635 3.004 3.070 473 HG12 VAL 62 HG12 VAL 62 13.405 1.992 2.311 474 HG13 VAL 62 HG13 VAL 62 14.171 1.464 3.808 475 HG21 VAL 62 HG21 VAL 62 13.574 2.567 6.003 476 HG22 VAL 62 HG22 VAL 62 12.421 3.900 6.043 477 HG23 VAL 62 HG23 VAL 62 14.036 4.158 5.381 478 H PHE 63 HN PHE 63 11.898 5.669 1.178 479 HA PHE 63 HA PHE 63 10.191 3.828 -0.338 480 HB2 PHE 63 HB2 PHE 63 9.812 6.307 -0.377 481 HB3 PHE 63 HB1 PHE 63 11.395 6.536 -1.102 482 HD1 PHE 63 HD1 PHE 63 8.191 4.662 -1.724 483 HD2 PHE 63 HD2 PHE 63 11.484 6.763 -3.471 484 HE1 PHE 63 HE1 PHE 63 7.175 4.418 -3.945 485 HE2 PHE 63 HE2 PHE 63 10.451 6.513 -5.701 486 HZ PHE 63 HZ PHE 63 8.295 5.336 -5.937 487 H GLY 64 HN GLY 64 13.462 5.131 -0.377 488 HA2 GLY 64 HA2 GLY 64 14.632 2.888 -1.647 489 HA3 GLY 64 HA1 GLY 64 14.406 4.182 -2.824 490 H ALA 65 HN ALA 65 15.031 6.411 -1.802 491 HA ALA 65 HA ALA 65 17.258 6.503 -0.010 492 HB1 ALA 65 HB1 ALA 65 18.453 5.598 -1.964 493 HB2 ALA 65 HB2 ALA 65 18.965 7.255 -1.652 494 HB3 ALA 65 HB3 ALA 65 17.849 6.909 -2.977 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -13.033 -3.915 10.777 2 H2 MET 1 HT2 MET 1 -14.647 -4.349 11.017 3 H3 MET 1 HT3 MET 1 -14.016 -2.991 11.802 4 HA MET 1 HA MET 1 -14.347 -3.325 8.878 5 HB2 MET 1 HB2 MET 1 -15.950 -1.645 10.863 6 HB3 MET 1 HB1 MET 1 -16.078 -1.480 9.114 7 HG2 MET 1 HG2 MET 1 -17.916 -2.816 9.950 8 HG3 MET 1 HG1 MET 1 -16.853 -3.829 8.968 9 HE1 MET 1 HE1 MET 1 -17.786 -6.129 9.922 10 HE2 MET 1 HE2 MET 1 -18.996 -5.194 10.801 11 HE3 MET 1 HE3 MET 1 -18.055 -6.426 11.639 12 H ASN 2 HN ASN 2 -12.472 -2.591 8.192 13 HA ASN 2 HA ASN 2 -11.926 0.263 8.340 14 HB2 ASN 2 HB2 ASN 2 -9.454 -0.128 8.622 15 HB3 ASN 2 HB1 ASN 2 -10.396 -0.491 10.059 16 HD21 ASN 2 HD21 ASN 2 -9.008 -1.894 10.973 17 HD22 ASN 2 HD22 ASN 2 -8.576 -3.420 10.301 18 H ALA 3 HN ALA 3 -10.162 0.741 6.630 19 HA ALA 3 HA ALA 3 -11.044 0.318 4.112 20 HB1 ALA 3 HB1 ALA 3 -8.148 0.657 4.919 21 HB2 ALA 3 HB2 ALA 3 -9.325 1.957 4.711 22 HB3 ALA 3 HB3 ALA 3 -8.807 0.992 3.323 23 H ILE 4 HN ILE 4 -8.694 -1.713 5.802 24 HA ILE 4 HA ILE 4 -7.960 -3.319 3.541 25 HB ILE 4 HB ILE 4 -7.557 -4.128 6.442 26 HG12 ILE 4 HG12 ILE 4 -5.197 -2.978 6.108 27 HG13 ILE 4 HG11 ILE 4 -6.033 -2.003 4.914 28 HG21 ILE 4 HG21 ILE 4 -5.898 -4.719 3.983 29 HG22 ILE 4 HG22 ILE 4 -7.017 -5.834 4.770 30 HG23 ILE 4 HG23 ILE 4 -5.571 -5.298 5.623 31 HD11 ILE 4 HD11 ILE 4 -6.638 -2.163 7.869 32 HD12 ILE 4 HD12 ILE 4 -7.573 -1.212 6.712 33 HD13 ILE 4 HD13 ILE 4 -5.872 -0.829 7.011 34 H ASP 5 HN ASP 5 -10.151 -3.611 6.284 35 HA ASP 5 HA ASP 5 -10.993 -6.303 5.961 36 HB2 ASP 5 HB2 ASP 5 -11.186 -5.080 8.098 37 HB3 ASP 5 HB1 ASP 5 -12.360 -3.984 7.382 38 H ILE 6 HN ILE 6 -12.160 -3.258 4.709 39 HA ILE 6 HA ILE 6 -14.654 -4.307 3.688 40 HB ILE 6 HB ILE 6 -13.267 -1.623 3.256 41 HG12 ILE 6 HG12 ILE 6 -13.945 -1.903 5.582 42 HG13 ILE 6 HG11 ILE 6 -15.004 -0.736 4.816 43 HG21 ILE 6 HG21 ILE 6 -15.407 -0.787 2.357 44 HG22 ILE 6 HG22 ILE 6 -16.095 -2.411 2.450 45 HG23 ILE 6 HG23 ILE 6 -14.749 -2.079 1.357 46 HD11 ILE 6 HD11 ILE 6 -15.684 -3.609 5.449 47 HD12 ILE 6 HD12 ILE 6 -16.760 -2.454 4.661 48 HD13 ILE 6 HD13 ILE 6 -16.234 -2.179 6.321 49 H ALA 7 HN ALA 7 -11.373 -3.773 2.484 50 HA ALA 7 HA ALA 7 -11.976 -4.376 -0.269 51 HB1 ALA 7 HB1 ALA 7 -9.294 -4.543 1.140 52 HB2 ALA 7 HB2 ALA 7 -9.953 -3.113 0.344 53 HB3 ALA 7 HB3 ALA 7 -9.572 -4.553 -0.609 54 H ILE 8 HN ILE 8 -11.007 -6.284 2.559 55 HA ILE 8 HA ILE 8 -10.786 -8.861 1.426 56 HB ILE 8 HB ILE 8 -11.926 -8.055 4.154 57 HG12 ILE 8 HG12 ILE 8 -9.134 -9.089 3.489 58 HG13 ILE 8 HG11 ILE 8 -9.534 -7.390 3.676 59 HG21 ILE 8 HG21 ILE 8 -11.498 -10.380 4.903 60 HG22 ILE 8 HG22 ILE 8 -11.038 -10.831 3.259 61 HG23 ILE 8 HG23 ILE 8 -12.693 -10.326 3.607 62 HD11 ILE 8 HD11 ILE 8 -10.152 -7.805 6.007 63 HD12 ILE 8 HD12 ILE 8 -8.482 -8.240 5.650 64 HD13 ILE 8 HD13 ILE 8 -9.704 -9.501 5.808 65 H ASN 9 HN ASN 9 -13.562 -7.114 2.719 66 HA ASN 9 HA ASN 9 -15.606 -8.983 2.269 67 HB2 ASN 9 HB2 ASN 9 -15.758 -6.991 3.769 68 HB3 ASN 9 HB1 ASN 9 -15.771 -5.931 2.367 69 HD21 ASN 9 HD21 ASN 9 -17.635 -8.136 4.320 70 HD22 ASN 9 HD22 ASN 9 -19.165 -7.802 3.587 71 H LYS 10 HN LYS 10 -14.318 -6.348 0.251 72 HA LYS 10 HA LYS 10 -16.333 -6.474 -1.781 73 HB2 LYS 10 HB2 LYS 10 -14.985 -4.418 -1.180 74 HB3 LYS 10 HB1 LYS 10 -13.582 -5.134 -1.954 75 HG2 LYS 10 HG2 LYS 10 -16.112 -4.799 -3.569 76 HG3 LYS 10 HG1 LYS 10 -15.145 -3.373 -3.215 77 HD2 LYS 10 HD2 LYS 10 -13.198 -4.365 -4.319 78 HD3 LYS 10 HD1 LYS 10 -14.082 -5.870 -4.591 79 HE2 LYS 10 HE2 LYS 10 -14.839 -3.174 -5.778 80 HE3 LYS 10 HE1 LYS 10 -13.953 -4.441 -6.627 81 HZ1 LYS 10 HZ1 LYS 10 -15.869 -5.904 -6.316 82 HZ2 LYS 10 HZ2 LYS 10 -16.267 -4.521 -7.204 83 HZ3 LYS 10 HZ3 LYS 10 -16.724 -4.644 -5.577 84 H LEU 11 HN LEU 11 -13.121 -7.914 -1.375 85 HA LEU 11 HA LEU 11 -13.278 -9.243 -4.001 86 HB2 LEU 11 HB2 LEU 11 -11.043 -9.362 -1.945 87 HB3 LEU 11 HB1 LEU 11 -10.987 -10.015 -3.572 88 HG LEU 11 HG LEU 11 -10.860 -7.120 -2.694 89 HD11 LEU 11 HD11 LEU 11 -8.852 -7.070 -4.154 90 HD12 LEU 11 HD12 LEU 11 -9.080 -8.789 -4.490 91 HD13 LEU 11 HD13 LEU 11 -8.730 -8.246 -2.850 92 HD21 LEU 11 HD21 LEU 11 -11.410 -8.000 -5.538 93 HD22 LEU 11 HD22 LEU 11 -11.053 -6.355 -4.990 94 HD23 LEU 11 HD23 LEU 11 -12.532 -7.148 -4.471 95 H GLY 12 HN GLY 12 -14.534 -9.822 -1.036 96 HA2 GLY 12 HA2 GLY 12 -15.783 -11.645 -0.361 97 HA3 GLY 12 HA1 GLY 12 -15.071 -12.614 -1.639 98 H SER 13 HN SER 13 -12.312 -11.588 -0.391 99 HA SER 13 HA SER 13 -12.029 -13.257 1.927 100 HB2 SER 13 HB2 SER 13 -10.655 -15.040 0.765 101 HB3 SER 13 HB1 SER 13 -12.364 -15.059 0.327 102 HG SER 13 HG SER 13 -11.650 -13.652 -1.489 103 H VAL 14 HN VAL 14 -9.783 -13.593 2.567 104 HA VAL 14 HA VAL 14 -8.040 -11.324 2.034 105 HB VAL 14 HB VAL 14 -7.970 -13.663 3.991 106 HG11 VAL 14 HG11 VAL 14 -5.618 -13.320 3.355 107 HG12 VAL 14 HG12 VAL 14 -5.906 -12.784 5.007 108 HG13 VAL 14 HG13 VAL 14 -5.754 -11.596 3.708 109 HG21 VAL 14 HG21 VAL 14 -9.434 -11.809 4.560 110 HG22 VAL 14 HG22 VAL 14 -8.109 -10.653 4.345 111 HG23 VAL 14 HG23 VAL 14 -8.061 -11.837 5.669 112 H SER 15 HN SER 15 -8.259 -14.721 1.184 113 HA SER 15 HA SER 15 -5.663 -15.163 0.191 114 HB2 SER 15 HB2 SER 15 -6.777 -17.009 -1.140 115 HB3 SER 15 HB1 SER 15 -7.203 -17.020 0.575 116 HG SER 15 HG SER 15 -9.075 -17.253 -0.652 117 H ALA 16 HN ALA 16 -8.633 -14.013 -1.363 118 HA ALA 16 HA ALA 16 -7.559 -13.469 -3.944 119 HB1 ALA 16 HB1 ALA 16 -9.998 -12.271 -2.583 120 HB2 ALA 16 HB2 ALA 16 -9.971 -13.738 -3.565 121 HB3 ALA 16 HB3 ALA 16 -9.629 -12.174 -4.305 122 H LEU 17 HN LEU 17 -8.084 -11.431 -1.048 123 HA LEU 17 HA LEU 17 -7.398 -8.961 -2.203 124 HB2 LEU 17 HB2 LEU 17 -8.603 -9.137 -0.040 125 HB3 LEU 17 HB1 LEU 17 -7.145 -9.762 0.724 126 HG LEU 17 HG LEU 17 -5.989 -7.644 0.335 127 HD11 LEU 17 HD11 LEU 17 -7.155 -5.638 -0.512 128 HD12 LEU 17 HD12 LEU 17 -8.572 -6.619 -0.894 129 HD13 LEU 17 HD13 LEU 17 -7.047 -6.897 -1.739 130 HD21 LEU 17 HD21 LEU 17 -8.637 -7.170 1.704 131 HD22 LEU 17 HD22 LEU 17 -7.165 -6.211 1.896 132 HD23 LEU 17 HD23 LEU 17 -7.192 -7.892 2.421 133 H ALA 18 HN ALA 18 -5.405 -11.261 -0.422 134 HA ALA 18 HA ALA 18 -3.022 -9.731 -0.331 135 HB1 ALA 18 HB1 ALA 18 -3.524 -11.539 1.238 136 HB2 ALA 18 HB2 ALA 18 -1.978 -11.818 0.428 137 HB3 ALA 18 HB3 ALA 18 -3.414 -12.724 -0.067 138 H ALA 19 HN ALA 19 -4.223 -12.223 -2.563 139 HA ALA 19 HA ALA 19 -1.923 -12.494 -4.203 140 HB1 ALA 19 HB1 ALA 19 -3.468 -13.459 -5.862 141 HB2 ALA 19 HB2 ALA 19 -4.848 -12.839 -4.949 142 HB3 ALA 19 HB3 ALA 19 -3.808 -14.073 -4.243 143 H ALA 20 HN ALA 20 -4.720 -10.330 -4.364 144 HA ALA 20 HA ALA 20 -4.094 -9.008 -6.805 145 HB1 ALA 20 HB1 ALA 20 -5.811 -8.067 -4.485 146 HB2 ALA 20 HB2 ALA 20 -6.361 -9.021 -5.866 147 HB3 ALA 20 HB3 ALA 20 -5.799 -7.365 -6.103 148 H LEU 21 HN LEU 21 -3.264 -8.396 -3.430 149 HA LEU 21 HA LEU 21 -1.973 -5.827 -3.965 150 HB2 LEU 21 HB2 LEU 21 -2.320 -7.466 -1.430 151 HB3 LEU 21 HB1 LEU 21 -1.528 -5.898 -1.472 152 HG LEU 21 HG LEU 21 -4.435 -6.391 -2.229 153 HD11 LEU 21 HD11 LEU 21 -3.283 -5.215 0.306 154 HD12 LEU 21 HD12 LEU 21 -4.196 -6.720 0.132 155 HD13 LEU 21 HD13 LEU 21 -4.994 -5.173 -0.150 156 HD21 LEU 21 HD21 LEU 21 -3.493 -4.506 -3.432 157 HD22 LEU 21 HD22 LEU 21 -2.921 -3.793 -1.924 158 HD23 LEU 21 HD23 LEU 21 -4.654 -3.955 -2.229 159 H GLY 22 HN GLY 22 -1.061 -9.078 -4.110 160 HA2 GLY 22 HA2 GLY 22 0.938 -10.110 -4.598 161 HA3 GLY 22 HA1 GLY 22 1.653 -8.515 -4.790 162 H VAL 23 HN VAL 23 0.109 -9.766 -1.890 163 HA VAL 23 HA VAL 23 2.668 -9.890 -0.419 164 HB VAL 23 HB VAL 23 1.514 -8.934 1.581 165 HG11 VAL 23 HG11 VAL 23 2.781 -7.416 0.125 166 HG12 VAL 23 HG12 VAL 23 1.406 -6.587 0.857 167 HG13 VAL 23 HG13 VAL 23 1.329 -7.098 -0.831 168 HG21 VAL 23 HG21 VAL 23 -0.862 -8.448 -0.269 169 HG22 VAL 23 HG22 VAL 23 -0.719 -7.855 1.387 170 HG23 VAL 23 HG23 VAL 23 -0.815 -9.587 1.081 171 H ASN 24 HN ASN 24 2.147 -10.951 1.863 172 HA ASN 24 HA ASN 24 0.848 -13.510 1.523 173 HB2 ASN 24 HB2 ASN 24 2.260 -12.180 3.838 174 HB3 ASN 24 HB1 ASN 24 1.287 -13.614 4.130 175 HD21 ASN 24 HD21 ASN 24 1.912 -15.598 3.141 176 HD22 ASN 24 HD22 ASN 24 3.545 -15.858 2.639 177 H GLN 25 HN GLN 25 -0.722 -14.276 2.944 178 HA GLN 25 HA GLN 25 -3.064 -12.609 3.226 179 HB2 GLN 25 HB2 GLN 25 -2.596 -15.544 3.995 180 HB3 GLN 25 HB1 GLN 25 -4.157 -14.730 4.023 181 HG2 GLN 25 HG2 GLN 25 -4.062 -16.059 2.022 182 HG3 GLN 25 HG1 GLN 25 -3.973 -14.364 1.554 183 HE21 GLN 25 HE21 GLN 25 -2.916 -14.628 -0.399 184 HE22 GLN 25 HE22 GLN 25 -1.328 -15.291 -0.556 185 H SER 26 HN SER 26 -0.555 -13.943 5.213 186 HA SER 26 HA SER 26 -1.419 -13.268 7.805 187 HB2 SER 26 HB2 SER 26 1.442 -13.383 6.733 188 HB3 SER 26 HB1 SER 26 0.938 -13.603 8.408 189 HG SER 26 HG SER 26 -0.400 -15.421 7.335 190 H ALA 27 HN ALA 27 0.278 -11.433 5.284 191 HA ALA 27 HA ALA 27 0.994 -9.128 6.777 192 HB1 ALA 27 HB1 ALA 27 2.023 -9.678 4.608 193 HB2 ALA 27 HB2 ALA 27 1.350 -8.048 4.586 194 HB3 ALA 27 HB3 ALA 27 0.491 -9.368 3.785 195 H ILE 28 HN ILE 28 -1.807 -9.881 4.744 196 HA ILE 28 HA ILE 28 -3.277 -7.496 4.950 197 HB ILE 28 HB ILE 28 -4.358 -10.349 4.753 198 HG12 ILE 28 HG12 ILE 28 -2.755 -9.871 2.948 199 HG13 ILE 28 HG11 ILE 28 -4.390 -10.008 2.314 200 HG21 ILE 28 HG21 ILE 28 -6.135 -8.776 5.352 201 HG22 ILE 28 HG22 ILE 28 -6.343 -9.350 3.698 202 HG23 ILE 28 HG23 ILE 28 -5.696 -7.735 3.992 203 HD11 ILE 28 HD11 ILE 28 -4.531 -7.564 2.190 204 HD12 ILE 28 HD12 ILE 28 -3.193 -8.209 1.243 205 HD13 ILE 28 HD13 ILE 28 -2.879 -7.447 2.801 206 H SER 29 HN SER 29 -3.311 -10.407 6.971 207 HA SER 29 HA SER 29 -5.334 -9.683 8.775 208 HB2 SER 29 HB2 SER 29 -4.452 -11.984 8.488 209 HB3 SER 29 HB1 SER 29 -2.929 -11.497 9.230 210 HG SER 29 HG SER 29 -3.813 -11.788 11.095 211 H GLN 30 HN GLN 30 -1.882 -8.914 8.734 212 HA GLN 30 HA GLN 30 -1.760 -7.694 11.344 213 HB2 GLN 30 HB2 GLN 30 0.106 -7.557 8.940 214 HB3 GLN 30 HB1 GLN 30 0.450 -6.759 10.475 215 HG2 GLN 30 HG2 GLN 30 0.515 -8.910 11.628 216 HG3 GLN 30 HG1 GLN 30 0.050 -9.746 10.142 217 HE21 GLN 30 HE21 GLN 30 1.587 -10.003 8.493 218 HE22 GLN 30 HE22 GLN 30 3.276 -9.746 8.752 219 H TRP 31 HN TRP 31 -2.147 -6.472 8.025 220 HA TRP 31 HA TRP 31 -1.989 -3.704 8.574 221 HB2 TRP 31 HB2 TRP 31 -3.353 -5.209 6.309 222 HB3 TRP 31 HB1 TRP 31 -3.188 -3.455 6.351 223 HD1 TRP 31 HD1 TRP 31 0.015 -4.248 7.648 224 HE1 TRP 31 HE1 TRP 31 1.784 -4.517 5.799 225 HE3 TRP 31 HE3 TRP 31 -3.066 -4.868 3.595 226 HZ2 TRP 31 HZ2 TRP 31 1.879 -4.950 3.042 227 HZ3 TRP 31 HZ3 TRP 31 -2.044 -5.193 1.391 228 HH2 TRP 31 HH2 TRP 31 0.377 -5.232 1.121 229 H ARG 32 HN ARG 32 -4.673 -5.953 8.532 230 HA ARG 32 HA ARG 32 -6.755 -4.015 8.920 231 HB2 ARG 32 HB2 ARG 32 -7.215 -6.167 7.796 232 HB3 ARG 32 HB1 ARG 32 -6.780 -7.053 9.257 233 HG2 ARG 32 HG2 ARG 32 -8.680 -6.115 10.446 234 HG3 ARG 32 HG1 ARG 32 -9.080 -5.079 9.077 235 HD2 ARG 32 HD2 ARG 32 -10.593 -6.966 9.157 236 HD3 ARG 32 HD1 ARG 32 -9.575 -7.089 7.724 237 HE ARG 32 HE ARG 32 -8.347 -8.601 9.698 238 HH11 ARG 32 HH11 ARG 32 -11.579 -10.401 8.062 239 HH12 ARG 32 HH12 ARG 32 -11.412 -8.676 7.931 240 HH21 ARG 32 HH21 ARG 32 -8.603 -10.853 9.880 241 HH22 ARG 32 HH22 ARG 32 -9.979 -11.632 9.166 242 H ALA 33 HN ALA 33 -4.829 -6.141 11.002 243 HA ALA 33 HA ALA 33 -6.256 -5.558 13.405 244 HB1 ALA 33 HB1 ALA 33 -3.422 -6.626 13.044 245 HB2 ALA 33 HB2 ALA 33 -4.892 -7.592 13.189 246 HB3 ALA 33 HB3 ALA 33 -4.335 -6.630 14.557 247 H ARG 34 HN ARG 34 -3.780 -3.969 11.605 248 HA ARG 34 HA ARG 34 -2.911 -2.126 13.684 249 HB2 ARG 34 HB2 ARG 34 -1.384 -3.067 11.947 250 HB3 ARG 34 HB1 ARG 34 -2.276 -2.179 10.712 251 HG2 ARG 34 HG2 ARG 34 -1.597 -0.104 11.536 252 HG3 ARG 34 HG1 ARG 34 -1.103 -0.769 13.080 253 HD2 ARG 34 HD2 ARG 34 0.846 -0.214 11.851 254 HD3 ARG 34 HD1 ARG 34 0.756 -1.967 11.888 255 HE ARG 34 HE ARG 34 -0.490 -1.150 9.550 256 HH11 ARG 34 HH11 ARG 34 2.765 -1.016 10.879 257 HH12 ARG 34 HH12 ARG 34 3.531 -1.027 9.323 258 HH21 ARG 34 HH21 ARG 34 0.519 -1.120 7.524 259 HH22 ARG 34 HH22 ARG 34 2.251 -1.089 7.417 260 H GLY 35 HN GLY 35 -5.118 -2.195 10.970 261 HA2 GLY 35 HA2 GLY 35 -6.904 -0.809 10.435 262 HA3 GLY 35 HA1 GLY 35 -6.400 0.314 11.689 263 H ARG 36 HN ARG 36 -3.683 -0.262 9.939 264 HA ARG 36 HA ARG 36 -4.155 1.620 7.739 265 HB2 ARG 36 HB2 ARG 36 -2.056 2.930 8.415 266 HB3 ARG 36 HB1 ARG 36 -3.466 3.189 9.421 267 HG2 ARG 36 HG2 ARG 36 -2.498 1.495 11.046 268 HG3 ARG 36 HG1 ARG 36 -1.017 1.547 10.093 269 HD2 ARG 36 HD2 ARG 36 -0.811 3.972 10.567 270 HD3 ARG 36 HD1 ARG 36 -2.304 3.908 11.507 271 HE ARG 36 HE ARG 36 -0.973 2.165 12.896 272 HH11 ARG 36 HH11 ARG 36 0.417 5.094 11.503 273 HH12 ARG 36 HH12 ARG 36 1.636 5.227 12.728 274 HH21 ARG 36 HH21 ARG 36 0.654 2.372 14.474 275 HH22 ARG 36 HH22 ARG 36 1.771 3.696 14.401 276 H VAL 37 HN VAL 37 -2.491 1.580 6.127 277 HA VAL 37 HA VAL 37 -0.978 -0.981 6.050 278 HB VAL 37 HB VAL 37 -1.322 -0.976 3.581 279 HG11 VAL 37 HG11 VAL 37 -3.687 -1.619 3.578 280 HG12 VAL 37 HG12 VAL 37 -3.908 -0.856 5.154 281 HG13 VAL 37 HG13 VAL 37 -2.847 -2.256 4.989 282 HG21 VAL 37 HG21 VAL 37 -1.622 1.439 3.212 283 HG22 VAL 37 HG22 VAL 37 -3.168 1.394 4.060 284 HG23 VAL 37 HG23 VAL 37 -2.970 0.530 2.532 285 HA PRO 38 HA PRO 38 2.909 1.141 4.891 286 HB2 PRO 38 HB2 PRO 38 2.792 -0.741 2.498 287 HB3 PRO 38 HB1 PRO 38 4.152 -0.391 3.588 288 HG2 PRO 38 HG2 PRO 38 2.819 -2.640 3.857 289 HG3 PRO 38 HG1 PRO 38 3.299 -1.717 5.301 290 HD2 PRO 38 HD2 PRO 38 0.601 -1.921 4.001 291 HD3 PRO 38 HD1 PRO 38 1.022 -1.854 5.725 292 H ALA 39 HN ALA 39 3.569 2.774 3.503 293 HA ALA 39 HA ALA 39 1.724 4.354 2.192 294 HB1 ALA 39 HB1 ALA 39 4.715 4.269 1.745 295 HB2 ALA 39 HB2 ALA 39 3.874 5.179 2.995 296 HB3 ALA 39 HB3 ALA 39 3.644 5.596 1.296 297 H GLY 40 HN GLY 40 0.952 4.517 0.129 298 HA2 GLY 40 HA2 GLY 40 0.910 4.301 -2.202 299 HA3 GLY 40 HA1 GLY 40 2.221 3.138 -2.127 300 H ARG 41 HN ARG 41 0.899 1.349 -0.174 301 HA ARG 41 HA ARG 41 -0.355 -0.319 -2.119 302 HB2 ARG 41 HB2 ARG 41 0.998 -1.172 -0.177 303 HB3 ARG 41 HB1 ARG 41 -0.307 -0.713 0.907 304 HG2 ARG 41 HG2 ARG 41 -0.620 -3.015 0.617 305 HG3 ARG 41 HG1 ARG 41 -1.792 -2.318 -0.492 306 HD2 ARG 41 HD2 ARG 41 0.941 -3.393 -1.272 307 HD3 ARG 41 HD1 ARG 41 -0.580 -4.267 -1.431 308 HE ARG 41 HE ARG 41 -1.067 -2.041 -2.920 309 HH11 ARG 41 HH11 ARG 41 1.965 -4.157 -4.607 310 HH12 ARG 41 HH12 ARG 41 1.621 -4.365 -2.922 311 HH21 ARG 41 HH21 ARG 41 -0.556 -1.803 -5.162 312 HH22 ARG 41 HH22 ARG 41 0.744 -2.720 -5.863 313 H CYS 42 HN CYS 42 -1.673 1.930 0.182 314 HA CYS 42 HA CYS 42 -4.349 0.990 0.356 315 HB2 CYS 42 HB2 CYS 42 -3.648 2.605 1.958 316 HB3 CYS 42 HB1 CYS 42 -3.140 3.728 0.708 317 H ILE 43 HN ILE 43 -2.690 2.653 -2.242 318 HA ILE 43 HA ILE 43 -4.783 3.867 -3.651 319 HB ILE 43 HB ILE 43 -2.355 2.339 -4.693 320 HG12 ILE 43 HG12 ILE 43 -1.698 4.280 -3.405 321 HG13 ILE 43 HG11 ILE 43 -1.414 4.635 -5.100 322 HG21 ILE 43 HG21 ILE 43 -4.203 4.101 -6.326 323 HG22 ILE 43 HG22 ILE 43 -3.985 2.358 -6.490 324 HG23 ILE 43 HG23 ILE 43 -2.656 3.446 -6.875 325 HD11 ILE 43 HD11 ILE 43 -2.293 6.572 -3.989 326 HD12 ILE 43 HD12 ILE 43 -3.687 5.668 -3.402 327 HD13 ILE 43 HD13 ILE 43 -3.496 5.974 -5.130 328 H ASP 44 HN ASP 44 -3.697 0.524 -3.604 329 HA ASP 44 HA ASP 44 -5.540 -0.531 -5.514 330 HB2 ASP 44 HB2 ASP 44 -3.944 -1.942 -3.339 331 HB3 ASP 44 HB1 ASP 44 -4.635 -2.685 -4.770 332 H ILE 45 HN ILE 45 -5.339 -0.605 -1.971 333 HA ILE 45 HA ILE 45 -7.674 -2.127 -1.482 334 HB ILE 45 HB ILE 45 -6.064 -0.261 0.314 335 HG12 ILE 45 HG12 ILE 45 -6.242 -3.298 0.033 336 HG13 ILE 45 HG11 ILE 45 -4.843 -2.275 -0.262 337 HG21 ILE 45 HG21 ILE 45 -8.382 -0.284 1.156 338 HG22 ILE 45 HG22 ILE 45 -7.290 -1.118 2.260 339 HG23 ILE 45 HG23 ILE 45 -8.351 -2.049 1.200 340 HD11 ILE 45 HD11 ILE 45 -6.071 -2.939 2.431 341 HD12 ILE 45 HD12 ILE 45 -4.736 -1.805 2.174 342 HD13 ILE 45 HD13 ILE 45 -4.531 -3.507 1.769 343 H GLU 46 HN GLU 46 -7.209 1.288 -2.149 344 HA GLU 46 HA GLU 46 -9.847 2.124 -1.259 345 HB2 GLU 46 HB2 GLU 46 -7.712 3.586 -1.220 346 HB3 GLU 46 HB1 GLU 46 -7.937 3.782 -2.953 347 HG2 GLU 46 HG2 GLU 46 -10.196 4.733 -2.498 348 HG3 GLU 46 HG1 GLU 46 -9.860 4.631 -0.770 349 H LEU 47 HN LEU 47 -8.345 1.002 -4.187 350 HA LEU 47 HA LEU 47 -10.394 1.624 -6.048 351 HB2 LEU 47 HB2 LEU 47 -7.928 0.146 -6.020 352 HB3 LEU 47 HB1 LEU 47 -9.140 -0.978 -6.593 353 HG LEU 47 HG LEU 47 -8.681 1.756 -7.840 354 HD11 LEU 47 HD11 LEU 47 -7.543 -0.905 -8.775 355 HD12 LEU 47 HD12 LEU 47 -6.627 0.436 -8.081 356 HD13 LEU 47 HD13 LEU 47 -7.435 0.636 -9.631 357 HD21 LEU 47 HD21 LEU 47 -10.193 -0.676 -8.866 358 HD22 LEU 47 HD22 LEU 47 -9.950 0.835 -9.746 359 HD23 LEU 47 HD23 LEU 47 -10.910 0.826 -8.271 360 H TYR 48 HN TYR 48 -10.008 -0.830 -3.569 361 HA TYR 48 HA TYR 48 -12.488 -2.230 -4.283 362 HB2 TYR 48 HB2 TYR 48 -10.676 -2.830 -1.911 363 HB3 TYR 48 HB1 TYR 48 -11.854 -3.905 -2.676 364 HD1 TYR 48 HD1 TYR 48 -8.570 -3.938 -2.173 365 HD2 TYR 48 HD2 TYR 48 -11.166 -3.610 -5.557 366 HE1 TYR 48 HE1 TYR 48 -6.793 -4.827 -3.628 367 HE2 TYR 48 HE2 TYR 48 -9.393 -4.497 -6.999 368 HH TYR 48 HH TYR 48 -6.480 -5.847 -5.746 369 H THR 49 HN THR 49 -11.403 0.223 -2.055 370 HA THR 49 HA THR 49 -14.079 0.279 -0.776 371 HB THR 49 HB THR 49 -13.098 1.474 1.121 372 HG1 THR 49 HG1 THR 49 -11.492 2.719 0.370 373 HG21 THR 49 HG21 THR 49 -11.576 -0.214 2.038 374 HG22 THR 49 HG22 THR 49 -11.284 -0.873 0.428 375 HG23 THR 49 HG23 THR 49 -12.883 -1.006 1.161 376 H ASP 50 HN ASP 50 -14.416 1.133 -3.081 377 HA ASP 50 HA ASP 50 -13.408 3.755 -3.781 378 HB2 ASP 50 HB2 ASP 50 -13.692 1.815 -5.367 379 HB3 ASP 50 HB1 ASP 50 -15.434 2.008 -5.244 380 H GLY 51 HN GLY 51 -14.899 4.047 -1.460 381 HA2 GLY 51 HA2 GLY 51 -16.300 6.235 -1.426 382 HA3 GLY 51 HA1 GLY 51 -17.508 5.212 -2.192 383 H ARG 52 HN ARG 52 -16.326 2.932 -0.437 384 HA ARG 52 HA ARG 52 -18.385 3.007 1.532 385 HB2 ARG 52 HB2 ARG 52 -17.038 0.995 0.328 386 HB3 ARG 52 HB1 ARG 52 -16.086 1.054 1.796 387 HG2 ARG 52 HG2 ARG 52 -19.103 0.670 1.766 388 HG3 ARG 52 HG1 ARG 52 -17.962 -0.665 1.699 389 HD2 ARG 52 HD2 ARG 52 -18.661 -0.529 3.955 390 HD3 ARG 52 HD1 ARG 52 -17.047 0.173 3.928 391 HE ARG 52 HE ARG 52 -17.931 2.136 4.655 392 HH11 ARG 52 HH11 ARG 52 -21.816 1.417 3.877 393 HH12 ARG 52 HH12 ARG 52 -20.634 0.267 3.350 394 HH21 ARG 52 HH21 ARG 52 -19.510 3.620 5.306 395 HH22 ARG 52 HH22 ARG 52 -21.186 3.305 4.981 396 H VAL 53 HN VAL 53 -14.813 3.107 1.809 397 HA VAL 53 HA VAL 53 -14.973 4.823 4.172 398 HB VAL 53 HB VAL 53 -14.895 2.610 5.196 399 HG11 VAL 53 HG11 VAL 53 -13.086 0.991 4.845 400 HG12 VAL 53 HG12 VAL 53 -12.387 2.022 3.593 401 HG13 VAL 53 HG13 VAL 53 -13.977 1.294 3.353 402 HG21 VAL 53 HG21 VAL 53 -13.631 4.368 6.350 403 HG22 VAL 53 HG22 VAL 53 -12.173 3.956 5.446 404 HG23 VAL 53 HG23 VAL 53 -12.859 2.800 6.592 405 H GLU 54 HN GLU 54 -13.387 6.329 4.172 406 HA GLU 54 HA GLU 54 -11.673 6.640 1.905 407 HB2 GLU 54 HB2 GLU 54 -11.767 8.149 4.557 408 HB3 GLU 54 HB1 GLU 54 -10.745 8.612 3.202 409 HG2 GLU 54 HG2 GLU 54 -12.745 8.980 1.806 410 HG3 GLU 54 HG1 GLU 54 -13.771 8.487 3.147 411 H CYS 55 HN CYS 55 -10.283 4.960 1.715 412 HA CYS 55 HA CYS 55 -8.685 3.838 3.780 413 HB2 CYS 55 HB2 CYS 55 -9.140 2.532 1.787 414 HB3 CYS 55 HB1 CYS 55 -8.429 3.758 0.749 415 H ARG 56 HN ARG 56 -6.502 4.162 4.265 416 HA ARG 56 HA ARG 56 -5.074 6.427 3.116 417 HB2 ARG 56 HB2 ARG 56 -4.658 7.510 5.313 418 HB3 ARG 56 HB1 ARG 56 -6.352 7.541 4.868 419 HG2 ARG 56 HG2 ARG 56 -5.199 5.542 6.844 420 HG3 ARG 56 HG1 ARG 56 -5.876 7.100 7.314 421 HD2 ARG 56 HD2 ARG 56 -8.045 6.407 6.257 422 HD3 ARG 56 HD1 ARG 56 -7.341 4.823 5.947 423 HE ARG 56 HE ARG 56 -7.014 4.875 8.528 424 HH11 ARG 56 HH11 ARG 56 -9.828 6.052 6.757 425 HH12 ARG 56 HH12 ARG 56 -10.926 5.728 8.071 426 HH21 ARG 56 HH21 ARG 56 -8.458 4.453 10.205 427 HH22 ARG 56 HH22 ARG 56 -10.149 4.821 10.014 428 H GLU 57 HN GLU 57 -2.893 6.261 3.301 429 HA GLU 57 HA GLU 57 -1.820 3.815 4.566 430 HB2 GLU 57 HB2 GLU 57 0.049 4.131 2.725 431 HB3 GLU 57 HB1 GLU 57 -1.452 3.317 2.344 432 HG2 GLU 57 HG2 GLU 57 -0.878 4.730 0.509 433 HG3 GLU 57 HG1 GLU 57 -2.295 5.401 1.299 434 H LEU 58 HN LEU 58 0.450 3.927 5.112 435 HA LEU 58 HA LEU 58 1.089 6.082 6.823 436 HB2 LEU 58 HB2 LEU 58 2.766 3.758 5.823 437 HB3 LEU 58 HB1 LEU 58 3.262 4.845 7.116 438 HG LEU 58 HG LEU 58 0.758 3.122 7.219 439 HD11 LEU 58 HD11 LEU 58 1.927 1.664 8.785 440 HD12 LEU 58 HD12 LEU 58 3.429 2.562 8.525 441 HD13 LEU 58 HD13 LEU 58 2.694 1.658 7.196 442 HD21 LEU 58 HD21 LEU 58 2.115 4.781 9.361 443 HD22 LEU 58 HD22 LEU 58 0.771 3.672 9.639 444 HD23 LEU 58 HD23 LEU 58 0.545 5.083 8.610 445 H ARG 59 HN ARG 59 3.304 7.241 6.688 446 HA ARG 59 HA ARG 59 3.124 8.969 4.483 447 HB2 ARG 59 HB2 ARG 59 5.004 10.171 5.381 448 HB3 ARG 59 HB1 ARG 59 3.965 9.658 6.721 449 HG2 ARG 59 HG2 ARG 59 5.524 7.828 7.266 450 HG3 ARG 59 HG1 ARG 59 6.548 8.287 5.904 451 HD2 ARG 59 HD2 ARG 59 6.858 10.540 7.002 452 HD3 ARG 59 HD1 ARG 59 6.011 9.907 8.417 453 HE ARG 59 HE ARG 59 8.695 9.239 7.487 454 HH11 ARG 59 HH11 ARG 59 7.229 7.619 10.860 455 HH12 ARG 59 HH12 ARG 59 6.156 8.474 9.806 456 HH21 ARG 59 HH21 ARG 59 10.054 8.037 8.834 457 HH22 ARG 59 HH22 ARG 59 9.438 7.363 10.313 458 HA PRO 60 HA PRO 60 5.943 7.130 1.478 459 HB2 PRO 60 HB2 PRO 60 6.502 9.290 -0.062 460 HB3 PRO 60 HB1 PRO 60 4.854 8.628 0.012 461 HG2 PRO 60 HG2 PRO 60 5.987 11.018 1.409 462 HG3 PRO 60 HG1 PRO 60 4.421 10.790 0.634 463 HD2 PRO 60 HD2 PRO 60 4.826 10.591 3.379 464 HD3 PRO 60 HD1 PRO 60 3.468 9.852 2.485 465 H ASP 61 HN ASP 61 7.422 6.707 3.211 466 HA ASP 61 HA ASP 61 9.310 8.665 4.172 467 HB2 ASP 61 HB2 ASP 61 8.084 6.999 5.631 468 HB3 ASP 61 HB1 ASP 61 9.074 5.724 4.930 469 H VAL 62 HN VAL 62 9.705 7.935 1.400 470 HA VAL 62 HA VAL 62 11.359 7.787 -0.098 471 HB VAL 62 HB VAL 62 13.288 7.955 2.277 472 HG11 VAL 62 HG11 VAL 62 14.929 8.810 0.620 473 HG12 VAL 62 HG12 VAL 62 13.783 8.506 -0.688 474 HG13 VAL 62 HG13 VAL 62 14.437 7.158 0.247 475 HG21 VAL 62 HG21 VAL 62 12.136 10.185 0.540 476 HG22 VAL 62 HG22 VAL 62 13.341 10.383 1.814 477 HG23 VAL 62 HG23 VAL 62 11.710 9.855 2.222 478 H PHE 63 HN PHE 63 10.603 5.770 -0.646 479 HA PHE 63 HA PHE 63 12.535 3.644 -0.627 480 HB2 PHE 63 HB2 PHE 63 11.143 1.901 0.352 481 HB3 PHE 63 HB1 PHE 63 11.195 3.216 1.519 482 HD1 PHE 63 HD1 PHE 63 9.044 1.094 -0.447 483 HD2 PHE 63 HD2 PHE 63 9.197 4.860 1.575 484 HE1 PHE 63 HE1 PHE 63 6.590 1.220 -0.489 485 HE2 PHE 63 HE2 PHE 63 6.742 4.972 1.531 486 HZ PHE 63 HZ PHE 63 5.441 3.156 0.497 487 H GLY 64 HN GLY 64 11.782 1.903 -2.186 488 HA2 GLY 64 HA2 GLY 64 9.587 1.565 -3.648 489 HA3 GLY 64 HA1 GLY 64 10.179 3.052 -4.377 490 H ALA 65 HN ALA 65 12.968 2.309 -4.001 491 HA ALA 65 HA ALA 65 13.585 -0.066 -5.451 492 HB1 ALA 65 HB1 ALA 65 14.402 0.991 -7.539 493 HB2 ALA 65 HB2 ALA 65 13.768 2.553 -7.005 494 HB3 ALA 65 HB3 ALA 65 12.668 1.214 -7.344 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -14.347 -1.872 12.438 2 H2 MET 1 HT2 MET 1 -13.868 -0.269 12.177 3 H3 MET 1 HT3 MET 1 -12.762 -1.530 11.962 4 HA MET 1 HA MET 1 -13.988 -2.385 10.119 5 HB2 MET 1 HB2 MET 1 -16.244 -1.722 10.862 6 HB3 MET 1 HB1 MET 1 -15.849 -0.024 10.646 7 HG2 MET 1 HG2 MET 1 -15.823 -0.248 8.269 8 HG3 MET 1 HG1 MET 1 -15.854 -2.006 8.362 9 HE1 MET 1 HE1 MET 1 -19.518 -2.752 9.489 10 HE2 MET 1 HE2 MET 1 -18.104 -2.631 10.535 11 HE3 MET 1 HE3 MET 1 -17.979 -3.441 8.973 12 H ASN 2 HN ASN 2 -11.954 -1.932 9.305 13 HA ASN 2 HA ASN 2 -11.362 0.797 8.325 14 HB2 ASN 2 HB2 ASN 2 -8.991 -0.030 8.150 15 HB3 ASN 2 HB1 ASN 2 -9.628 -0.021 9.788 16 HD21 ASN 2 HD21 ASN 2 -8.431 -1.565 10.700 17 HD22 ASN 2 HD22 ASN 2 -8.359 -3.214 10.194 18 H ALA 3 HN ALA 3 -10.212 0.940 6.316 19 HA ALA 3 HA ALA 3 -11.507 0.047 4.082 20 HB1 ALA 3 HB1 ALA 3 -9.994 1.972 4.125 21 HB2 ALA 3 HB2 ALA 3 -9.585 0.878 2.805 22 HB3 ALA 3 HB3 ALA 3 -8.602 0.897 4.274 23 H ILE 4 HN ILE 4 -8.705 -1.439 5.660 24 HA ILE 4 HA ILE 4 -7.951 -3.233 3.619 25 HB ILE 4 HB ILE 4 -7.560 -3.716 6.601 26 HG12 ILE 4 HG12 ILE 4 -5.158 -2.756 6.071 27 HG13 ILE 4 HG11 ILE 4 -5.941 -1.986 4.702 28 HG21 ILE 4 HG21 ILE 4 -5.636 -5.109 5.941 29 HG22 ILE 4 HG22 ILE 4 -6.003 -4.806 4.242 30 HG23 ILE 4 HG23 ILE 4 -7.140 -5.712 5.240 31 HD11 ILE 4 HD11 ILE 4 -5.699 -0.464 6.573 32 HD12 ILE 4 HD12 ILE 4 -6.612 -1.554 7.614 33 HD13 ILE 4 HD13 ILE 4 -7.410 -0.763 6.254 34 H ASP 5 HN ASP 5 -10.260 -3.471 6.266 35 HA ASP 5 HA ASP 5 -10.958 -6.226 5.985 36 HB2 ASP 5 HB2 ASP 5 -11.263 -4.953 8.115 37 HB3 ASP 5 HB1 ASP 5 -12.511 -3.971 7.355 38 H ILE 6 HN ILE 6 -12.433 -3.168 4.906 39 HA ILE 6 HA ILE 6 -14.803 -4.269 3.803 40 HB ILE 6 HB ILE 6 -13.396 -1.628 3.203 41 HG12 ILE 6 HG12 ILE 6 -14.103 -1.855 5.553 42 HG13 ILE 6 HG11 ILE 6 -15.080 -0.640 4.741 43 HG21 ILE 6 HG21 ILE 6 -16.228 -2.441 2.410 44 HG22 ILE 6 HG22 ILE 6 -14.880 -2.146 1.309 45 HG23 ILE 6 HG23 ILE 6 -15.548 -0.818 2.255 46 HD11 ILE 6 HD11 ILE 6 -16.912 -2.281 4.541 47 HD12 ILE 6 HD12 ILE 6 -16.444 -1.985 6.214 48 HD13 ILE 6 HD13 ILE 6 -15.928 -3.465 5.405 49 H ALA 7 HN ALA 7 -11.562 -3.817 2.518 50 HA ALA 7 HA ALA 7 -12.139 -4.437 -0.212 51 HB1 ALA 7 HB1 ALA 7 -9.730 -4.704 -0.474 52 HB2 ALA 7 HB2 ALA 7 -9.515 -4.706 1.285 53 HB3 ALA 7 HB3 ALA 7 -10.095 -3.254 0.467 54 H ILE 8 HN ILE 8 -11.226 -6.397 2.618 55 HA ILE 8 HA ILE 8 -10.966 -8.938 1.390 56 HB ILE 8 HB ILE 8 -11.986 -8.289 4.201 57 HG12 ILE 8 HG12 ILE 8 -9.151 -9.055 3.379 58 HG13 ILE 8 HG11 ILE 8 -9.682 -7.395 3.593 59 HG21 ILE 8 HG21 ILE 8 -11.309 -10.597 4.824 60 HG22 ILE 8 HG22 ILE 8 -10.907 -10.934 3.140 61 HG23 ILE 8 HG23 ILE 8 -12.578 -10.599 3.596 62 HD11 ILE 8 HD11 ILE 8 -10.159 -7.858 5.945 63 HD12 ILE 8 HD12 ILE 8 -8.477 -8.164 5.519 64 HD13 ILE 8 HD13 ILE 8 -9.592 -9.515 5.724 65 H ASN 9 HN ASN 9 -13.787 -7.221 2.739 66 HA ASN 9 HA ASN 9 -15.710 -9.257 2.302 67 HB2 ASN 9 HB2 ASN 9 -16.052 -6.240 2.589 68 HB3 ASN 9 HB1 ASN 9 -17.416 -7.337 2.425 69 HD21 ASN 9 HD21 ASN 9 -15.111 -6.013 4.570 70 HD22 ASN 9 HD22 ASN 9 -15.610 -6.860 5.990 71 H LYS 10 HN LYS 10 -14.631 -6.498 0.285 72 HA LYS 10 HA LYS 10 -16.663 -6.824 -1.677 73 HB2 LYS 10 HB2 LYS 10 -15.411 -4.655 -1.356 74 HB3 LYS 10 HB1 LYS 10 -13.998 -5.381 -2.138 75 HG2 LYS 10 HG2 LYS 10 -15.333 -5.769 -4.185 76 HG3 LYS 10 HG1 LYS 10 -16.752 -5.068 -3.403 77 HD2 LYS 10 HD2 LYS 10 -15.599 -2.898 -3.246 78 HD3 LYS 10 HD1 LYS 10 -14.160 -3.602 -3.997 79 HE2 LYS 10 HE2 LYS 10 -16.893 -3.296 -5.290 80 HE3 LYS 10 HE1 LYS 10 -15.460 -2.323 -5.630 81 HZ1 LYS 10 HZ1 LYS 10 -15.653 -5.252 -6.069 82 HZ2 LYS 10 HZ2 LYS 10 -14.352 -4.257 -6.484 83 HZ3 LYS 10 HZ3 LYS 10 -15.836 -4.078 -7.272 84 H LEU 11 HN LEU 11 -13.277 -7.916 -1.516 85 HA LEU 11 HA LEU 11 -13.423 -9.200 -4.115 86 HB2 LEU 11 HB2 LEU 11 -11.218 -9.486 -2.038 87 HB3 LEU 11 HB1 LEU 11 -11.142 -9.961 -3.724 88 HG LEU 11 HG LEU 11 -10.981 -7.194 -2.530 89 HD11 LEU 11 HD11 LEU 11 -9.038 -6.970 -4.043 90 HD12 LEU 11 HD12 LEU 11 -9.314 -8.615 -4.622 91 HD13 LEU 11 HD13 LEU 11 -8.887 -8.333 -2.937 92 HD21 LEU 11 HD21 LEU 11 -11.738 -7.694 -5.425 93 HD22 LEU 11 HD22 LEU 11 -11.273 -6.138 -4.726 94 HD23 LEU 11 HD23 LEU 11 -12.747 -6.934 -4.188 95 H GLY 12 HN GLY 12 -14.288 -10.047 -0.929 96 HA2 GLY 12 HA2 GLY 12 -15.663 -11.894 -0.469 97 HA3 GLY 12 HA1 GLY 12 -14.909 -12.794 -1.776 98 H SER 13 HN SER 13 -12.147 -11.906 -0.731 99 HA SER 13 HA SER 13 -11.844 -13.324 1.772 100 HB2 SER 13 HB2 SER 13 -10.439 -15.188 0.785 101 HB3 SER 13 HB1 SER 13 -12.130 -15.256 0.292 102 HG SER 13 HG SER 13 -11.483 -14.132 -1.633 103 H VAL 14 HN VAL 14 -9.559 -13.611 2.394 104 HA VAL 14 HA VAL 14 -7.931 -11.296 1.769 105 HB VAL 14 HB VAL 14 -7.600 -13.614 3.730 106 HG11 VAL 14 HG11 VAL 14 -5.657 -11.305 3.342 107 HG12 VAL 14 HG12 VAL 14 -5.335 -13.002 2.979 108 HG13 VAL 14 HG13 VAL 14 -5.597 -12.493 4.647 109 HG21 VAL 14 HG21 VAL 14 -7.860 -11.835 5.432 110 HG22 VAL 14 HG22 VAL 14 -9.254 -11.916 4.353 111 HG23 VAL 14 HG23 VAL 14 -8.049 -10.637 4.138 112 H SER 15 HN SER 15 -7.976 -14.749 1.052 113 HA SER 15 HA SER 15 -5.433 -15.038 -0.102 114 HB2 SER 15 HB2 SER 15 -6.577 -16.949 -1.391 115 HB3 SER 15 HB1 SER 15 -6.725 -17.005 0.367 116 HG SER 15 HG SER 15 -8.716 -17.353 -0.877 117 H ALA 16 HN ALA 16 -8.517 -13.908 -1.425 118 HA ALA 16 HA ALA 16 -7.608 -13.360 -4.086 119 HB1 ALA 16 HB1 ALA 16 -10.019 -12.248 -2.604 120 HB2 ALA 16 HB2 ALA 16 -9.987 -13.723 -3.574 121 HB3 ALA 16 HB3 ALA 16 -9.739 -12.158 -4.347 122 H LEU 17 HN LEU 17 -7.932 -11.412 -1.120 123 HA LEU 17 HA LEU 17 -7.456 -8.888 -2.308 124 HB2 LEU 17 HB2 LEU 17 -8.584 -9.116 -0.125 125 HB3 LEU 17 HB1 LEU 17 -7.098 -9.724 0.595 126 HG LEU 17 HG LEU 17 -5.999 -7.570 0.273 127 HD11 LEU 17 HD11 LEU 17 -7.192 -5.573 -0.550 128 HD12 LEU 17 HD12 LEU 17 -8.586 -6.572 -0.969 129 HD13 LEU 17 HD13 LEU 17 -7.046 -6.808 -1.798 130 HD21 LEU 17 HD21 LEU 17 -8.675 -7.178 1.616 131 HD22 LEU 17 HD22 LEU 17 -7.218 -6.208 1.864 132 HD23 LEU 17 HD23 LEU 17 -7.236 -7.903 2.340 133 H ALA 18 HN ALA 18 -5.334 -10.828 -0.248 134 HA ALA 18 HA ALA 18 -2.973 -9.401 -0.493 135 HB1 ALA 18 HB1 ALA 18 -3.414 -11.096 1.226 136 HB2 ALA 18 HB2 ALA 18 -1.887 -11.401 0.399 137 HB3 ALA 18 HB3 ALA 18 -3.315 -12.371 0.011 138 H ALA 19 HN ALA 19 -4.278 -11.974 -2.579 139 HA ALA 19 HA ALA 19 -2.043 -12.362 -4.266 140 HB1 ALA 19 HB1 ALA 19 -3.665 -13.228 -5.909 141 HB2 ALA 19 HB2 ALA 19 -4.992 -12.539 -4.965 142 HB3 ALA 19 HB3 ALA 19 -4.009 -13.837 -4.289 143 H ALA 20 HN ALA 20 -4.783 -10.102 -4.495 144 HA ALA 20 HA ALA 20 -3.937 -8.766 -6.892 145 HB1 ALA 20 HB1 ALA 20 -5.957 -7.898 -4.793 146 HB2 ALA 20 HB2 ALA 20 -6.304 -8.872 -6.222 147 HB3 ALA 20 HB3 ALA 20 -5.776 -7.200 -6.406 148 H LEU 21 HN LEU 21 -3.138 -8.396 -3.531 149 HA LEU 21 HA LEU 21 -1.947 -5.724 -3.883 150 HB2 LEU 21 HB2 LEU 21 -2.284 -7.470 -1.412 151 HB3 LEU 21 HB1 LEU 21 -1.535 -5.879 -1.404 152 HG LEU 21 HG LEU 21 -4.440 -6.463 -2.104 153 HD11 LEU 21 HD11 LEU 21 -3.232 -5.184 0.354 154 HD12 LEU 21 HD12 LEU 21 -4.121 -6.707 0.247 155 HD13 LEU 21 HD13 LEU 21 -4.960 -5.185 -0.040 156 HD21 LEU 21 HD21 LEU 21 -3.000 -3.808 -1.950 157 HD22 LEU 21 HD22 LEU 21 -4.742 -4.029 -2.167 158 HD23 LEU 21 HD23 LEU 21 -3.623 -4.591 -3.405 159 H GLY 22 HN GLY 22 -1.065 -8.955 -4.169 160 HA2 GLY 22 HA2 GLY 22 0.914 -9.976 -4.729 161 HA3 GLY 22 HA1 GLY 22 1.646 -8.382 -4.820 162 H VAL 23 HN VAL 23 0.096 -9.435 -1.887 163 HA VAL 23 HA VAL 23 2.700 -9.708 -0.500 164 HB VAL 23 HB VAL 23 1.665 -8.694 1.501 165 HG11 VAL 23 HG11 VAL 23 2.815 -7.201 -0.067 166 HG12 VAL 23 HG12 VAL 23 1.468 -6.366 0.709 167 HG13 VAL 23 HG13 VAL 23 1.312 -6.938 -0.953 168 HG21 VAL 23 HG21 VAL 23 -0.688 -9.402 1.165 169 HG22 VAL 23 HG22 VAL 23 -0.843 -8.289 -0.194 170 HG23 VAL 23 HG23 VAL 23 -0.600 -7.661 1.438 171 H ASN 24 HN ASN 24 2.254 -10.707 1.791 172 HA ASN 24 HA ASN 24 1.058 -13.313 1.430 173 HB2 ASN 24 HB2 ASN 24 3.136 -12.987 2.775 174 HB3 ASN 24 HB1 ASN 24 2.227 -12.074 3.963 175 HD21 ASN 24 HD21 ASN 24 2.687 -13.521 5.644 176 HD22 ASN 24 HD22 ASN 24 2.064 -15.129 5.701 177 H GLN 25 HN GLN 25 -0.482 -14.146 2.892 178 HA GLN 25 HA GLN 25 -2.864 -12.507 3.007 179 HB2 GLN 25 HB2 GLN 25 -2.402 -15.408 3.838 180 HB3 GLN 25 HB1 GLN 25 -3.969 -14.613 3.861 181 HG2 GLN 25 HG2 GLN 25 -3.881 -15.928 1.871 182 HG3 GLN 25 HG1 GLN 25 -3.742 -14.238 1.381 183 HE21 GLN 25 HE21 GLN 25 -1.785 -13.556 0.386 184 HE22 GLN 25 HE22 GLN 25 -0.563 -14.665 -0.101 185 H SER 26 HN SER 26 -0.547 -13.791 5.313 186 HA SER 26 HA SER 26 -1.884 -12.940 7.697 187 HB2 SER 26 HB2 SER 26 1.055 -13.606 7.235 188 HB3 SER 26 HB1 SER 26 0.248 -13.505 8.801 189 HG SER 26 HG SER 26 -1.193 -15.201 7.915 190 H ALA 27 HN ALA 27 0.240 -11.367 5.373 191 HA ALA 27 HA ALA 27 1.004 -9.095 6.888 192 HB1 ALA 27 HB1 ALA 27 1.411 -7.982 4.733 193 HB2 ALA 27 HB2 ALA 27 0.524 -9.258 3.890 194 HB3 ALA 27 HB3 ALA 27 2.036 -9.631 4.717 195 H ILE 28 HN ILE 28 -1.834 -9.825 4.919 196 HA ILE 28 HA ILE 28 -3.209 -7.358 5.097 197 HB ILE 28 HB ILE 28 -4.387 -10.166 4.823 198 HG12 ILE 28 HG12 ILE 28 -2.698 -9.724 3.087 199 HG13 ILE 28 HG11 ILE 28 -4.311 -9.779 2.386 200 HG21 ILE 28 HG21 ILE 28 -6.301 -9.071 3.716 201 HG22 ILE 28 HG22 ILE 28 -5.597 -7.488 4.044 202 HG23 ILE 28 HG23 ILE 28 -6.125 -8.514 5.383 203 HD11 ILE 28 HD11 ILE 28 -4.345 -7.326 2.330 204 HD12 ILE 28 HD12 ILE 28 -3.017 -8.018 1.402 205 HD13 ILE 28 HD13 ILE 28 -2.704 -7.306 2.984 206 H SER 29 HN SER 29 -3.297 -10.290 7.085 207 HA SER 29 HA SER 29 -5.282 -9.600 8.931 208 HB2 SER 29 HB2 SER 29 -2.784 -11.265 9.438 209 HB3 SER 29 HB1 SER 29 -4.303 -11.355 10.325 210 HG SER 29 HG SER 29 -5.274 -11.949 8.260 211 H GLN 30 HN GLN 30 -1.829 -8.874 8.848 212 HA GLN 30 HA GLN 30 -1.604 -7.600 11.390 213 HB2 GLN 30 HB2 GLN 30 0.330 -8.582 10.210 214 HB3 GLN 30 HB1 GLN 30 0.159 -7.408 8.909 215 HG2 GLN 30 HG2 GLN 30 0.620 -5.595 10.599 216 HG3 GLN 30 HG1 GLN 30 0.965 -6.854 11.784 217 HE21 GLN 30 HE21 GLN 30 2.056 -5.279 8.871 218 HE22 GLN 30 HE22 GLN 30 3.654 -5.936 8.880 219 H TRP 31 HN TRP 31 -2.117 -6.425 8.079 220 HA TRP 31 HA TRP 31 -1.834 -3.647 8.593 221 HB2 TRP 31 HB2 TRP 31 -3.204 -5.146 6.327 222 HB3 TRP 31 HB1 TRP 31 -3.005 -3.395 6.350 223 HD1 TRP 31 HD1 TRP 31 0.159 -4.363 7.715 224 HE1 TRP 31 HE1 TRP 31 1.952 -4.618 5.888 225 HE3 TRP 31 HE3 TRP 31 -2.883 -4.683 3.620 226 HZ2 TRP 31 HZ2 TRP 31 2.057 -4.918 3.077 227 HZ3 TRP 31 HZ3 TRP 31 -1.872 -4.943 1.411 228 HH2 TRP 31 HH2 TRP 31 0.539 -5.057 1.139 229 H ARG 32 HN ARG 32 -4.585 -5.817 8.539 230 HA ARG 32 HA ARG 32 -6.613 -3.832 8.896 231 HB2 ARG 32 HB2 ARG 32 -7.131 -5.987 7.854 232 HB3 ARG 32 HB1 ARG 32 -6.636 -6.856 9.305 233 HG2 ARG 32 HG2 ARG 32 -8.507 -5.954 10.554 234 HG3 ARG 32 HG1 ARG 32 -8.958 -4.897 9.213 235 HD2 ARG 32 HD2 ARG 32 -10.414 -6.880 9.379 236 HD3 ARG 32 HD1 ARG 32 -9.543 -6.823 7.845 237 HE ARG 32 HE ARG 32 -8.035 -8.396 9.578 238 HH11 ARG 32 HH11 ARG 32 -11.253 -10.271 8.035 239 HH12 ARG 32 HH12 ARG 32 -11.215 -8.531 8.064 240 HH21 ARG 32 HH21 ARG 32 -9.467 -11.479 8.877 241 HH22 ARG 32 HH22 ARG 32 -8.090 -10.660 9.536 242 H ALA 33 HN ALA 33 -4.807 -6.041 11.015 243 HA ALA 33 HA ALA 33 -6.129 -5.288 13.416 244 HB1 ALA 33 HB1 ALA 33 -4.909 -7.414 13.216 245 HB2 ALA 33 HB2 ALA 33 -4.286 -6.472 14.569 246 HB3 ALA 33 HB3 ALA 33 -3.380 -6.550 13.051 247 H ARG 34 HN ARG 34 -3.610 -3.833 11.546 248 HA ARG 34 HA ARG 34 -2.671 -1.984 13.580 249 HB2 ARG 34 HB2 ARG 34 -1.138 -2.744 11.833 250 HB3 ARG 34 HB1 ARG 34 -2.247 -2.239 10.566 251 HG2 ARG 34 HG2 ARG 34 -0.498 -0.643 10.625 252 HG3 ARG 34 HG1 ARG 34 -1.907 0.134 11.325 253 HD2 ARG 34 HD2 ARG 34 -0.998 -0.278 13.593 254 HD3 ARG 34 HD1 ARG 34 0.443 -1.015 12.883 255 HE ARG 34 HE ARG 34 -0.349 1.832 12.654 256 HH11 ARG 34 HH11 ARG 34 2.177 -0.611 12.517 257 HH12 ARG 34 HH12 ARG 34 3.449 0.557 12.351 258 HH21 ARG 34 HH21 ARG 34 1.300 3.327 12.425 259 HH22 ARG 34 HH22 ARG 34 2.946 2.796 12.296 260 H GLY 35 HN GLY 35 -4.953 -2.070 10.900 261 HA2 GLY 35 HA2 GLY 35 -6.907 -0.799 10.638 262 HA3 GLY 35 HA1 GLY 35 -6.298 0.381 11.788 263 H ARG 36 HN ARG 36 -3.766 -0.166 9.822 264 HA ARG 36 HA ARG 36 -4.445 1.582 7.605 265 HB2 ARG 36 HB2 ARG 36 -3.960 3.132 9.533 266 HB3 ARG 36 HB1 ARG 36 -2.366 2.418 9.689 267 HG2 ARG 36 HG2 ARG 36 -1.676 3.322 7.556 268 HG3 ARG 36 HG1 ARG 36 -3.324 3.845 7.186 269 HD2 ARG 36 HD2 ARG 36 -3.213 5.406 9.150 270 HD3 ARG 36 HD1 ARG 36 -1.521 4.945 9.377 271 HE ARG 36 HE ARG 36 -2.090 5.902 6.718 272 HH11 ARG 36 HH11 ARG 36 -0.650 8.491 9.452 273 HH12 ARG 36 HH12 ARG 36 -1.305 6.972 9.979 274 HH21 ARG 36 HH21 ARG 36 -1.198 7.891 6.043 275 HH22 ARG 36 HH22 ARG 36 -0.591 9.010 7.225 276 H VAL 37 HN VAL 37 -3.110 1.129 5.879 277 HA VAL 37 HA VAL 37 -1.156 -1.025 6.168 278 HB VAL 37 HB VAL 37 -1.022 -1.002 3.685 279 HG11 VAL 37 HG11 VAL 37 -3.307 -1.751 3.218 280 HG12 VAL 37 HG12 VAL 37 -3.878 -0.981 4.699 281 HG13 VAL 37 HG13 VAL 37 -2.755 -2.338 4.785 282 HG21 VAL 37 HG21 VAL 37 -1.338 1.408 3.255 283 HG22 VAL 37 HG22 VAL 37 -3.017 1.304 3.783 284 HG23 VAL 37 HG23 VAL 37 -2.494 0.453 2.326 285 HA PRO 38 HA PRO 38 2.562 1.651 5.678 286 HB2 PRO 38 HB2 PRO 38 3.595 -0.593 3.938 287 HB3 PRO 38 HB1 PRO 38 4.335 0.165 5.367 288 HG2 PRO 38 HG2 PRO 38 3.286 -2.263 5.558 289 HG3 PRO 38 HG1 PRO 38 3.061 -1.081 6.871 290 HD2 PRO 38 HD2 PRO 38 1.117 -1.870 4.698 291 HD3 PRO 38 HD1 PRO 38 0.834 -1.657 6.442 292 H ALA 39 HN ALA 39 3.907 2.492 3.813 293 HA ALA 39 HA ALA 39 2.225 3.876 2.075 294 HB1 ALA 39 HB1 ALA 39 4.396 4.743 2.834 295 HB2 ALA 39 HB2 ALA 39 4.276 4.784 1.074 296 HB3 ALA 39 HB3 ALA 39 5.232 3.527 1.861 297 H GLY 40 HN GLY 40 1.837 3.781 -0.124 298 HA2 GLY 40 HA2 GLY 40 1.681 3.053 -2.273 299 HA3 GLY 40 HA1 GLY 40 3.155 2.133 -2.032 300 H ARG 41 HN ARG 41 -0.218 1.955 -0.755 301 HA ARG 41 HA ARG 41 -0.735 -0.487 -2.185 302 HB2 ARG 41 HB2 ARG 41 0.662 -1.183 -0.111 303 HB3 ARG 41 HB1 ARG 41 -0.768 -0.800 0.833 304 HG2 ARG 41 HG2 ARG 41 -0.884 -3.120 0.494 305 HG3 ARG 41 HG1 ARG 41 -2.028 -2.463 -0.671 306 HD2 ARG 41 HD2 ARG 41 0.824 -3.290 -1.332 307 HD3 ARG 41 HD1 ARG 41 -0.592 -4.310 -1.572 308 HE ARG 41 HE ARG 41 -1.156 -2.007 -2.994 309 HH11 ARG 41 HH11 ARG 41 1.434 -4.415 -3.096 310 HH12 ARG 41 HH12 ARG 41 1.746 -4.179 -4.781 311 HH21 ARG 41 HH21 ARG 41 0.577 -2.650 -5.962 312 HH22 ARG 41 HH22 ARG 41 -0.649 -1.683 -5.204 313 H CYS 42 HN CYS 42 -1.784 1.959 0.084 314 HA CYS 42 HA CYS 42 -4.479 1.188 0.444 315 HB2 CYS 42 HB2 CYS 42 -3.619 2.919 1.836 316 HB3 CYS 42 HB1 CYS 42 -3.181 3.915 0.453 317 H ILE 43 HN ILE 43 -2.850 2.712 -2.239 318 HA ILE 43 HA ILE 43 -4.882 3.821 -3.771 319 HB ILE 43 HB ILE 43 -2.477 2.181 -4.727 320 HG12 ILE 43 HG12 ILE 43 -2.772 5.203 -4.349 321 HG13 ILE 43 HG11 ILE 43 -1.883 4.131 -3.273 322 HG21 ILE 43 HG21 ILE 43 -4.182 4.152 -6.304 323 HG22 ILE 43 HG22 ILE 43 -4.102 2.410 -6.559 324 HG23 ILE 43 HG23 ILE 43 -2.689 3.411 -6.889 325 HD11 ILE 43 HD11 ILE 43 -0.314 3.635 -5.089 326 HD12 ILE 43 HD12 ILE 43 -0.387 5.354 -4.705 327 HD13 ILE 43 HD13 ILE 43 -1.199 4.739 -6.144 328 H ASP 44 HN ASP 44 -3.835 0.458 -3.532 329 HA ASP 44 HA ASP 44 -5.674 -0.575 -5.486 330 HB2 ASP 44 HB2 ASP 44 -4.105 -2.131 -3.397 331 HB3 ASP 44 HB1 ASP 44 -4.771 -2.752 -4.907 332 H ILE 45 HN ILE 45 -5.440 -0.758 -1.928 333 HA ILE 45 HA ILE 45 -7.800 -2.219 -1.466 334 HB ILE 45 HB ILE 45 -6.283 -0.304 0.367 335 HG12 ILE 45 HG12 ILE 45 -6.318 -3.344 0.057 336 HG13 ILE 45 HG11 ILE 45 -4.955 -2.261 -0.190 337 HG21 ILE 45 HG21 ILE 45 -8.502 -2.216 1.185 338 HG22 ILE 45 HG22 ILE 45 -8.639 -0.457 1.145 339 HG23 ILE 45 HG23 ILE 45 -7.526 -1.226 2.274 340 HD11 ILE 45 HD11 ILE 45 -4.673 -3.492 1.855 341 HD12 ILE 45 HD12 ILE 45 -6.247 -2.964 2.458 342 HD13 ILE 45 HD13 ILE 45 -4.940 -1.792 2.240 343 H GLU 46 HN GLU 46 -7.293 1.194 -2.114 344 HA GLU 46 HA GLU 46 -9.928 2.062 -1.304 345 HB2 GLU 46 HB2 GLU 46 -7.952 3.583 -1.188 346 HB3 GLU 46 HB1 GLU 46 -7.860 3.588 -2.948 347 HG2 GLU 46 HG2 GLU 46 -9.993 4.706 -3.120 348 HG3 GLU 46 HG1 GLU 46 -10.290 4.522 -1.391 349 H LEU 47 HN LEU 47 -8.491 0.821 -4.276 350 HA LEU 47 HA LEU 47 -10.581 1.402 -6.096 351 HB2 LEU 47 HB2 LEU 47 -8.925 -1.137 -5.778 352 HB3 LEU 47 HB1 LEU 47 -10.012 -0.873 -7.125 353 HG LEU 47 HG LEU 47 -7.657 0.977 -6.578 354 HD11 LEU 47 HD11 LEU 47 -7.672 -1.477 -8.383 355 HD12 LEU 47 HD12 LEU 47 -6.766 -1.301 -6.879 356 HD13 LEU 47 HD13 LEU 47 -6.373 -0.285 -8.262 357 HD21 LEU 47 HD21 LEU 47 -9.301 0.440 -9.072 358 HD22 LEU 47 HD22 LEU 47 -7.956 1.582 -8.945 359 HD23 LEU 47 HD23 LEU 47 -9.436 1.861 -8.032 360 H TYR 48 HN TYR 48 -10.204 -1.098 -3.607 361 HA TYR 48 HA TYR 48 -12.842 -2.255 -4.169 362 HB2 TYR 48 HB2 TYR 48 -11.171 -3.272 -1.878 363 HB3 TYR 48 HB1 TYR 48 -12.193 -4.166 -3.013 364 HD1 TYR 48 HD1 TYR 48 -9.013 -4.232 -2.007 365 HD2 TYR 48 HD2 TYR 48 -11.070 -3.379 -5.655 366 HE1 TYR 48 HE1 TYR 48 -6.988 -4.778 -3.282 367 HE2 TYR 48 HE2 TYR 48 -9.038 -3.904 -6.925 368 HH TYR 48 HH TYR 48 -6.292 -5.402 -5.470 369 H THR 49 HN THR 49 -11.755 0.266 -2.278 370 HA THR 49 HA THR 49 -14.178 0.146 -0.568 371 HB THR 49 HB THR 49 -12.986 1.271 1.253 372 HG1 THR 49 HG1 THR 49 -10.457 0.969 0.126 373 HG21 THR 49 HG21 THR 49 -11.381 -1.126 0.301 374 HG22 THR 49 HG22 THR 49 -12.880 -1.191 1.230 375 HG23 THR 49 HG23 THR 49 -11.432 -0.495 1.949 376 H ASP 50 HN ASP 50 -14.044 1.168 -3.114 377 HA ASP 50 HA ASP 50 -13.092 3.502 -3.916 378 HB2 ASP 50 HB2 ASP 50 -14.374 2.112 -5.407 379 HB3 ASP 50 HB1 ASP 50 -15.854 2.364 -4.485 380 H GLY 51 HN GLY 51 -16.462 3.598 -2.799 381 HA2 GLY 51 HA2 GLY 51 -15.959 6.117 -1.305 382 HA3 GLY 51 HA1 GLY 51 -17.397 5.870 -2.295 383 H ARG 52 HN ARG 52 -15.894 3.329 -0.462 384 HA ARG 52 HA ARG 52 -18.288 2.867 1.150 385 HB2 ARG 52 HB2 ARG 52 -15.641 1.335 1.137 386 HB3 ARG 52 HB1 ARG 52 -17.166 0.777 1.810 387 HG2 ARG 52 HG2 ARG 52 -16.641 1.265 -1.136 388 HG3 ARG 52 HG1 ARG 52 -16.564 -0.311 -0.351 389 HD2 ARG 52 HD2 ARG 52 -18.960 -0.186 0.173 390 HD3 ARG 52 HD1 ARG 52 -19.047 1.434 -0.525 391 HE ARG 52 HE ARG 52 -18.333 0.336 -2.670 392 HH11 ARG 52 HH11 ARG 52 -20.885 -2.519 -1.490 393 HH12 ARG 52 HH12 ARG 52 -20.201 -1.457 -0.307 394 HH21 ARG 52 HH21 ARG 52 -20.305 -2.291 -3.714 395 HH22 ARG 52 HH22 ARG 52 -19.185 -1.052 -4.187 396 H VAL 53 HN VAL 53 -14.820 3.407 1.586 397 HA VAL 53 HA VAL 53 -15.139 4.884 4.057 398 HB VAL 53 HB VAL 53 -15.092 2.618 4.982 399 HG11 VAL 53 HG11 VAL 53 -14.159 1.421 3.059 400 HG12 VAL 53 HG12 VAL 53 -13.313 0.988 4.545 401 HG13 VAL 53 HG13 VAL 53 -12.562 2.097 3.395 402 HG21 VAL 53 HG21 VAL 53 -13.809 4.287 6.256 403 HG22 VAL 53 HG22 VAL 53 -12.351 3.888 5.349 404 HG23 VAL 53 HG23 VAL 53 -13.077 2.689 6.423 405 H GLU 54 HN GLU 54 -13.447 6.310 4.326 406 HA GLU 54 HA GLU 54 -11.672 6.837 2.146 407 HB2 GLU 54 HB2 GLU 54 -11.672 7.988 4.970 408 HB3 GLU 54 HB1 GLU 54 -10.783 8.646 3.601 409 HG2 GLU 54 HG2 GLU 54 -12.868 9.205 2.461 410 HG3 GLU 54 HG1 GLU 54 -13.808 8.452 3.747 411 H CYS 55 HN CYS 55 -10.041 5.485 1.747 412 HA CYS 55 HA CYS 55 -8.769 3.856 3.771 413 HB2 CYS 55 HB2 CYS 55 -9.145 2.828 1.640 414 HB3 CYS 55 HB1 CYS 55 -8.389 4.163 0.773 415 H ARG 56 HN ARG 56 -6.730 4.102 4.655 416 HA ARG 56 HA ARG 56 -5.023 6.327 3.687 417 HB2 ARG 56 HB2 ARG 56 -5.556 5.575 6.587 418 HB3 ARG 56 HB1 ARG 56 -4.158 6.522 6.104 419 HG2 ARG 56 HG2 ARG 56 -5.639 8.169 6.796 420 HG3 ARG 56 HG1 ARG 56 -5.906 8.160 5.056 421 HD2 ARG 56 HD2 ARG 56 -7.957 6.837 5.361 422 HD3 ARG 56 HD1 ARG 56 -7.662 6.757 7.103 423 HE ARG 56 HE ARG 56 -7.731 9.462 6.254 424 HH11 ARG 56 HH11 ARG 56 -11.277 7.808 7.198 425 HH12 ARG 56 HH12 ARG 56 -9.926 6.772 6.846 426 HH21 ARG 56 HH21 ARG 56 -9.526 10.781 6.671 427 HH22 ARG 56 HH22 ARG 56 -11.049 10.070 7.095 428 H GLU 57 HN GLU 57 -3.071 5.689 3.061 429 HA GLU 57 HA GLU 57 -1.738 3.377 4.347 430 HB2 GLU 57 HB2 GLU 57 0.046 3.721 2.584 431 HB3 GLU 57 HB1 GLU 57 -1.520 3.266 1.934 432 HG2 GLU 57 HG2 GLU 57 -1.948 5.629 1.342 433 HG3 GLU 57 HG1 GLU 57 -0.358 6.064 1.962 434 H LEU 58 HN LEU 58 0.475 3.702 5.025 435 HA LEU 58 HA LEU 58 0.980 6.168 6.419 436 HB2 LEU 58 HB2 LEU 58 2.534 3.573 6.093 437 HB3 LEU 58 HB1 LEU 58 3.184 4.935 6.995 438 HG LEU 58 HG LEU 58 0.493 3.724 7.725 439 HD11 LEU 58 HD11 LEU 58 1.545 2.305 9.398 440 HD12 LEU 58 HD12 LEU 58 3.152 2.808 8.860 441 HD13 LEU 58 HD13 LEU 58 2.110 1.878 7.783 442 HD21 LEU 58 HD21 LEU 58 0.979 5.931 8.650 443 HD22 LEU 58 HD22 LEU 58 2.500 5.344 9.326 444 HD23 LEU 58 HD23 LEU 58 0.965 4.719 9.931 445 H ARG 59 HN ARG 59 3.033 7.349 6.066 446 HA ARG 59 HA ARG 59 3.419 7.829 3.210 447 HB2 ARG 59 HB2 ARG 59 4.432 9.371 5.649 448 HB3 ARG 59 HB1 ARG 59 4.628 9.867 3.954 449 HG2 ARG 59 HG2 ARG 59 2.147 9.947 3.724 450 HG3 ARG 59 HG1 ARG 59 1.982 9.519 5.424 451 HD2 ARG 59 HD2 ARG 59 3.089 11.627 6.067 452 HD3 ARG 59 HD1 ARG 59 3.286 12.046 4.358 453 HE ARG 59 HE ARG 59 0.553 11.496 5.047 454 HH11 ARG 59 HH11 ARG 59 1.804 15.322 5.133 455 HH12 ARG 59 HH12 ARG 59 2.986 14.054 5.121 456 HH21 ARG 59 HH21 ARG 59 -0.962 13.156 5.040 457 HH22 ARG 59 HH22 ARG 59 -0.450 14.815 5.084 458 HA PRO 60 HA PRO 60 7.246 5.669 2.823 459 HB2 PRO 60 HB2 PRO 60 8.639 7.081 0.974 460 HB3 PRO 60 HB1 PRO 60 7.070 6.347 0.578 461 HG2 PRO 60 HG2 PRO 60 7.658 9.199 1.347 462 HG3 PRO 60 HG1 PRO 60 6.686 8.584 -0.012 463 HD2 PRO 60 HD2 PRO 60 5.538 9.406 2.334 464 HD3 PRO 60 HD1 PRO 60 4.859 8.092 1.334 465 H ASP 61 HN ASP 61 7.290 7.971 4.988 466 HA ASP 61 HA ASP 61 8.686 8.957 6.458 467 HB2 ASP 61 HB2 ASP 61 10.582 6.734 5.552 468 HB3 ASP 61 HB1 ASP 61 10.853 7.751 6.959 469 H VAL 62 HN VAL 62 11.422 9.510 6.482 470 HA VAL 62 HA VAL 62 11.922 10.966 3.939 471 HB VAL 62 HB VAL 62 13.048 11.668 6.698 472 HG11 VAL 62 HG11 VAL 62 13.799 13.777 5.616 473 HG12 VAL 62 HG12 VAL 62 13.230 13.177 4.057 474 HG13 VAL 62 HG13 VAL 62 14.552 12.356 4.888 475 HG21 VAL 62 HG21 VAL 62 10.793 13.032 5.170 476 HG22 VAL 62 HG22 VAL 62 11.518 13.628 6.665 477 HG23 VAL 62 HG23 VAL 62 10.634 12.103 6.664 478 H PHE 63 HN PHE 63 12.719 8.939 3.105 479 HA PHE 63 HA PHE 63 15.289 7.941 4.140 480 HB2 PHE 63 HB2 PHE 63 13.487 6.922 1.894 481 HB3 PHE 63 HB1 PHE 63 15.027 6.189 2.328 482 HD1 PHE 63 HD1 PHE 63 11.696 5.555 2.583 483 HD2 PHE 63 HD2 PHE 63 15.089 5.922 5.163 484 HE1 PHE 63 HE1 PHE 63 10.601 4.105 4.244 485 HE2 PHE 63 HE2 PHE 63 13.980 4.472 6.815 486 HZ PHE 63 HZ PHE 63 11.738 3.561 6.358 487 H GLY 64 HN GLY 64 16.936 7.411 2.424 488 HA2 GLY 64 HA2 GLY 64 17.075 9.144 0.073 489 HA3 GLY 64 HA1 GLY 64 18.283 9.428 1.333 490 H ALA 65 HN ALA 65 20.158 8.384 0.967 491 HA ALA 65 HA ALA 65 20.264 5.578 0.342 492 HB1 ALA 65 HB1 ALA 65 21.287 7.513 -1.779 493 HB2 ALA 65 HB2 ALA 65 19.879 6.462 -1.934 494 HB3 ALA 65 HB3 ALA 65 21.492 5.759 -1.797 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -16.066 0.813 10.739 2 H2 MET 1 HT2 MET 1 -15.797 1.274 9.134 3 H3 MET 1 HT3 MET 1 -14.972 2.050 10.386 4 HA MET 1 HA MET 1 -13.759 0.090 10.932 5 HB2 MET 1 HB2 MET 1 -14.029 -1.995 9.729 6 HB3 MET 1 HB1 MET 1 -15.621 -1.495 10.282 7 HG2 MET 1 HG2 MET 1 -14.523 -1.281 7.477 8 HG3 MET 1 HG1 MET 1 -15.778 -2.377 8.045 9 HE1 MET 1 HE1 MET 1 -18.826 0.034 8.565 10 HE2 MET 1 HE2 MET 1 -17.706 -0.522 9.809 11 HE3 MET 1 HE3 MET 1 -18.277 -1.642 8.568 12 H ASN 2 HN ASN 2 -11.798 -0.578 9.701 13 HA ASN 2 HA ASN 2 -10.935 1.470 7.888 14 HB2 ASN 2 HB2 ASN 2 -8.789 0.174 7.771 15 HB3 ASN 2 HB1 ASN 2 -9.296 0.553 9.404 16 HD21 ASN 2 HD21 ASN 2 -9.929 -1.141 10.766 17 HD22 ASN 2 HD22 ASN 2 -9.568 -2.783 10.386 18 H ALA 3 HN ALA 3 -10.162 1.201 5.796 19 HA ALA 3 HA ALA 3 -11.875 -0.175 4.038 20 HB1 ALA 3 HB1 ALA 3 -9.261 1.209 3.424 21 HB2 ALA 3 HB2 ALA 3 -10.845 1.974 3.507 22 HB3 ALA 3 HB3 ALA 3 -10.513 0.776 2.259 23 H ILE 4 HN ILE 4 -8.816 -1.179 5.448 24 HA ILE 4 HA ILE 4 -8.046 -3.099 3.492 25 HB ILE 4 HB ILE 4 -7.495 -3.285 6.493 26 HG12 ILE 4 HG12 ILE 4 -5.147 -2.392 5.799 27 HG13 ILE 4 HG11 ILE 4 -5.925 -1.832 4.326 28 HG21 ILE 4 HG21 ILE 4 -5.607 -4.747 5.884 29 HG22 ILE 4 HG22 ILE 4 -6.053 -4.626 4.181 30 HG23 ILE 4 HG23 ILE 4 -7.138 -5.419 5.323 31 HD11 ILE 4 HD11 ILE 4 -7.372 -0.368 5.668 32 HD12 ILE 4 HD12 ILE 4 -5.662 -0.055 5.969 33 HD13 ILE 4 HD13 ILE 4 -6.608 -0.971 7.142 34 H ASP 5 HN ASP 5 -10.063 -3.182 6.350 35 HA ASP 5 HA ASP 5 -10.967 -5.829 6.427 36 HB2 ASP 5 HB2 ASP 5 -11.262 -4.310 8.292 37 HB3 ASP 5 HB1 ASP 5 -12.180 -3.176 7.319 38 H ILE 6 HN ILE 6 -12.427 -2.970 4.812 39 HA ILE 6 HA ILE 6 -14.649 -4.441 3.711 40 HB ILE 6 HB ILE 6 -13.641 -1.609 3.134 41 HG12 ILE 6 HG12 ILE 6 -14.455 -1.961 5.439 42 HG13 ILE 6 HG11 ILE 6 -15.529 -0.889 4.550 43 HG21 ILE 6 HG21 ILE 6 -15.846 -1.165 2.076 44 HG22 ILE 6 HG22 ILE 6 -16.279 -2.869 2.226 45 HG23 ILE 6 HG23 ILE 6 -14.942 -2.384 1.181 46 HD11 ILE 6 HD11 ILE 6 -17.099 -2.774 4.225 47 HD12 ILE 6 HD12 ILE 6 -16.802 -2.415 5.923 48 HD13 ILE 6 HD13 ILE 6 -16.025 -3.808 5.174 49 H ALA 7 HN ALA 7 -11.403 -3.800 2.625 50 HA ALA 7 HA ALA 7 -11.797 -4.348 -0.162 51 HB1 ALA 7 HB1 ALA 7 -9.265 -4.571 1.507 52 HB2 ALA 7 HB2 ALA 7 -9.824 -3.132 0.651 53 HB3 ALA 7 HB3 ALA 7 -9.351 -4.567 -0.257 54 H ILE 8 HN ILE 8 -11.059 -6.303 2.695 55 HA ILE 8 HA ILE 8 -10.821 -8.865 1.488 56 HB ILE 8 HB ILE 8 -12.001 -8.180 4.234 57 HG12 ILE 8 HG12 ILE 8 -9.107 -8.910 3.589 58 HG13 ILE 8 HG11 ILE 8 -9.669 -7.269 3.860 59 HG21 ILE 8 HG21 ILE 8 -12.528 -10.478 3.561 60 HG22 ILE 8 HG22 ILE 8 -11.354 -10.482 4.874 61 HG23 ILE 8 HG23 ILE 8 -10.823 -10.797 3.222 62 HD11 ILE 8 HD11 ILE 8 -8.580 -8.155 5.816 63 HD12 ILE 8 HD12 ILE 8 -9.709 -9.506 5.875 64 HD13 ILE 8 HD13 ILE 8 -10.286 -7.859 6.152 65 H ASN 9 HN ASN 9 -13.572 -6.983 2.656 66 HA ASN 9 HA ASN 9 -15.621 -8.896 2.266 67 HB2 ASN 9 HB2 ASN 9 -15.963 -7.027 3.769 68 HB3 ASN 9 HB1 ASN 9 -15.681 -5.858 2.488 69 HD21 ASN 9 HD21 ASN 9 -17.959 -8.235 3.737 70 HD22 ASN 9 HD22 ASN 9 -19.345 -7.608 2.918 71 H LYS 10 HN LYS 10 -14.163 -6.473 0.118 72 HA LYS 10 HA LYS 10 -16.183 -6.636 -1.930 73 HB2 LYS 10 HB2 LYS 10 -14.553 -4.657 -1.449 74 HB3 LYS 10 HB1 LYS 10 -13.352 -5.551 -2.367 75 HG2 LYS 10 HG2 LYS 10 -15.899 -5.320 -3.850 76 HG3 LYS 10 HG1 LYS 10 -15.286 -3.746 -3.368 77 HD2 LYS 10 HD2 LYS 10 -14.402 -4.103 -5.521 78 HD3 LYS 10 HD1 LYS 10 -13.057 -4.428 -4.433 79 HE2 LYS 10 HE2 LYS 10 -13.380 -6.831 -4.712 80 HE3 LYS 10 HE1 LYS 10 -14.811 -6.550 -5.707 81 HZ1 LYS 10 HZ1 LYS 10 -12.038 -5.713 -6.396 82 HZ2 LYS 10 HZ2 LYS 10 -13.411 -5.454 -7.346 83 HZ3 LYS 10 HZ3 LYS 10 -12.870 -7.026 -7.057 84 H LEU 11 HN LEU 11 -12.792 -7.775 -1.685 85 HA LEU 11 HA LEU 11 -12.779 -9.416 -3.985 86 HB2 LEU 11 HB2 LEU 11 -11.114 -9.223 -1.469 87 HB3 LEU 11 HB1 LEU 11 -10.846 -10.565 -2.562 88 HG LEU 11 HG LEU 11 -9.270 -8.628 -2.832 89 HD11 LEU 11 HD11 LEU 11 -9.221 -8.677 -5.286 90 HD12 LEU 11 HD12 LEU 11 -10.860 -9.335 -5.311 91 HD13 LEU 11 HD13 LEU 11 -9.540 -10.279 -4.620 92 HD21 LEU 11 HD21 LEU 11 -9.966 -6.621 -4.074 93 HD22 LEU 11 HD22 LEU 11 -10.773 -6.741 -2.512 94 HD23 LEU 11 HD23 LEU 11 -11.648 -7.153 -3.987 95 H GLY 12 HN GLY 12 -14.028 -9.908 -0.775 96 HA2 GLY 12 HA2 GLY 12 -15.489 -11.537 -0.018 97 HA3 GLY 12 HA1 GLY 12 -15.162 -12.508 -1.445 98 H SER 13 HN SER 13 -12.151 -11.785 -0.492 99 HA SER 13 HA SER 13 -11.766 -13.522 1.760 100 HB2 SER 13 HB2 SER 13 -10.403 -15.238 0.542 101 HB3 SER 13 HB1 SER 13 -12.093 -15.247 0.045 102 HG SER 13 HG SER 13 -11.551 -14.570 -1.885 103 H VAL 14 HN VAL 14 -9.582 -13.656 2.441 104 HA VAL 14 HA VAL 14 -7.952 -11.322 1.862 105 HB VAL 14 HB VAL 14 -7.773 -13.608 3.873 106 HG11 VAL 14 HG11 VAL 14 -5.642 -11.474 3.494 107 HG12 VAL 14 HG12 VAL 14 -5.442 -13.203 3.222 108 HG13 VAL 14 HG13 VAL 14 -5.737 -12.599 4.851 109 HG21 VAL 14 HG21 VAL 14 -8.023 -10.593 4.148 110 HG22 VAL 14 HG22 VAL 14 -7.928 -11.735 5.504 111 HG23 VAL 14 HG23 VAL 14 -9.303 -11.791 4.402 112 H SER 15 HN SER 15 -7.997 -14.717 1.045 113 HA SER 15 HA SER 15 -5.353 -15.041 0.134 114 HB2 SER 15 HB2 SER 15 -6.402 -16.980 -1.192 115 HB3 SER 15 HB1 SER 15 -6.659 -16.999 0.557 116 HG SER 15 HG SER 15 -8.481 -16.435 -1.515 117 H ALA 16 HN ALA 16 -8.330 -13.996 -1.516 118 HA ALA 16 HA ALA 16 -7.115 -13.568 -4.097 119 HB1 ALA 16 HB1 ALA 16 -9.529 -14.041 -3.860 120 HB2 ALA 16 HB2 ALA 16 -9.255 -12.517 -4.701 121 HB3 ALA 16 HB3 ALA 16 -9.754 -12.512 -3.006 122 H LEU 17 HN LEU 17 -7.850 -11.545 -1.277 123 HA LEU 17 HA LEU 17 -7.366 -9.019 -2.457 124 HB2 LEU 17 HB2 LEU 17 -8.629 -9.306 -0.340 125 HB3 LEU 17 HB1 LEU 17 -7.157 -9.827 0.471 126 HG LEU 17 HG LEU 17 -6.156 -7.610 0.140 127 HD11 LEU 17 HD11 LEU 17 -7.469 -5.708 -0.702 128 HD12 LEU 17 HD12 LEU 17 -8.792 -6.797 -1.125 129 HD13 LEU 17 HD13 LEU 17 -7.234 -6.933 -1.946 130 HD21 LEU 17 HD21 LEU 17 -8.873 -7.396 1.432 131 HD22 LEU 17 HD22 LEU 17 -7.476 -6.348 1.714 132 HD23 LEU 17 HD23 LEU 17 -7.410 -8.047 2.178 133 H ALA 18 HN ALA 18 -5.316 -11.063 -0.435 134 HA ALA 18 HA ALA 18 -2.987 -9.512 -0.386 135 HB1 ALA 18 HB1 ALA 18 -3.479 -11.362 1.164 136 HB2 ALA 18 HB2 ALA 18 -1.895 -11.554 0.411 137 HB3 ALA 18 HB3 ALA 18 -3.260 -12.528 -0.144 138 H ALA 19 HN ALA 19 -4.068 -12.030 -2.633 139 HA ALA 19 HA ALA 19 -1.781 -12.169 -4.290 140 HB1 ALA 19 HB1 ALA 19 -3.287 -13.226 -5.923 141 HB2 ALA 19 HB2 ALA 19 -4.692 -12.675 -5.003 142 HB3 ALA 19 HB3 ALA 19 -3.581 -13.849 -4.298 143 H ALA 20 HN ALA 20 -4.578 -10.009 -4.277 144 HA ALA 20 HA ALA 20 -3.955 -8.640 -6.750 145 HB1 ALA 20 HB1 ALA 20 -5.902 -7.917 -4.532 146 HB2 ALA 20 HB2 ALA 20 -6.270 -8.880 -5.963 147 HB3 ALA 20 HB3 ALA 20 -5.842 -7.178 -6.135 148 H LEU 21 HN LEU 21 -2.990 -8.326 -3.450 149 HA LEU 21 HA LEU 21 -1.940 -5.580 -3.799 150 HB2 LEU 21 HB2 LEU 21 -2.387 -7.272 -1.306 151 HB3 LEU 21 HB1 LEU 21 -1.682 -5.660 -1.296 152 HG LEU 21 HG LEU 21 -4.505 -6.304 -2.237 153 HD11 LEU 21 HD11 LEU 21 -3.566 -5.095 0.373 154 HD12 LEU 21 HD12 LEU 21 -4.372 -6.651 0.132 155 HD13 LEU 21 HD13 LEU 21 -5.246 -5.156 -0.178 156 HD21 LEU 21 HD21 LEU 21 -3.589 -4.354 -3.376 157 HD22 LEU 21 HD22 LEU 21 -3.155 -3.624 -1.829 158 HD23 LEU 21 HD23 LEU 21 -4.855 -3.875 -2.245 159 H GLY 22 HN GLY 22 -0.923 -8.711 -4.123 160 HA2 GLY 22 HA2 GLY 22 1.134 -9.581 -4.671 161 HA3 GLY 22 HA1 GLY 22 1.813 -7.971 -4.509 162 H VAL 23 HN VAL 23 0.122 -9.193 -1.774 163 HA VAL 23 HA VAL 23 2.648 -9.745 -0.318 164 HB VAL 23 HB VAL 23 1.548 -8.873 1.730 165 HG11 VAL 23 HG11 VAL 23 2.908 -7.316 0.418 166 HG12 VAL 23 HG12 VAL 23 1.548 -6.465 1.157 167 HG13 VAL 23 HG13 VAL 23 1.505 -6.871 -0.561 168 HG21 VAL 23 HG21 VAL 23 -0.795 -8.132 -0.080 169 HG22 VAL 23 HG22 VAL 23 -0.624 -7.666 1.615 170 HG23 VAL 23 HG23 VAL 23 -0.809 -9.363 1.187 171 H ASN 24 HN ASN 24 2.172 -11.055 1.752 172 HA ASN 24 HA ASN 24 0.657 -13.430 1.157 173 HB2 ASN 24 HB2 ASN 24 1.573 -14.329 3.237 174 HB3 ASN 24 HB1 ASN 24 2.860 -13.564 2.325 175 HD21 ASN 24 HD21 ASN 24 2.594 -14.154 5.226 176 HD22 ASN 24 HD22 ASN 24 2.878 -12.641 6.013 177 H GLN 25 HN GLN 25 -0.678 -14.332 2.996 178 HA GLN 25 HA GLN 25 -2.991 -12.650 3.191 179 HB2 GLN 25 HB2 GLN 25 -2.442 -15.499 4.132 180 HB3 GLN 25 HB1 GLN 25 -3.997 -14.704 4.353 181 HG2 GLN 25 HG2 GLN 25 -4.132 -16.104 2.398 182 HG3 GLN 25 HG1 GLN 25 -4.186 -14.420 1.886 183 HE21 GLN 25 HE21 GLN 25 -3.435 -14.760 -0.196 184 HE22 GLN 25 HE22 GLN 25 -1.826 -15.281 -0.543 185 H SER 26 HN SER 26 -0.450 -13.597 5.367 186 HA SER 26 HA SER 26 -1.677 -12.882 7.841 187 HB2 SER 26 HB2 SER 26 0.269 -14.430 7.679 188 HB3 SER 26 HB1 SER 26 1.286 -13.097 7.140 189 HG SER 26 HG SER 26 1.332 -12.307 9.130 190 H ALA 27 HN ALA 27 0.170 -11.098 5.391 191 HA ALA 27 HA ALA 27 0.699 -8.725 6.833 192 HB1 ALA 27 HB1 ALA 27 1.770 -9.178 4.673 193 HB2 ALA 27 HB2 ALA 27 0.948 -7.620 4.640 194 HB3 ALA 27 HB3 ALA 27 0.218 -9.019 3.843 195 H ILE 28 HN ILE 28 -2.117 -9.787 4.983 196 HA ILE 28 HA ILE 28 -3.512 -7.311 4.923 197 HB ILE 28 HB ILE 28 -4.664 -10.140 4.757 198 HG12 ILE 28 HG12 ILE 28 -2.882 -9.790 3.069 199 HG13 ILE 28 HG11 ILE 28 -4.465 -9.929 2.313 200 HG21 ILE 28 HG21 ILE 28 -5.796 -7.497 3.777 201 HG22 ILE 28 HG22 ILE 28 -6.403 -8.455 5.134 202 HG23 ILE 28 HG23 ILE 28 -6.502 -9.091 3.493 203 HD11 ILE 28 HD11 ILE 28 -4.542 -7.486 2.066 204 HD12 ILE 28 HD12 ILE 28 -3.165 -8.216 1.246 205 HD13 ILE 28 HD13 ILE 28 -2.930 -7.378 2.780 206 H SER 29 HN SER 29 -3.912 -10.211 6.979 207 HA SER 29 HA SER 29 -5.964 -9.207 8.639 208 HB2 SER 29 HB2 SER 29 -5.267 -11.120 10.153 209 HB3 SER 29 HB1 SER 29 -5.555 -11.587 8.477 210 HG SER 29 HG SER 29 -2.945 -10.867 9.178 211 H GLN 30 HN GLN 30 -2.474 -8.855 8.745 212 HA GLN 30 HA GLN 30 -2.215 -7.690 11.352 213 HB2 GLN 30 HB2 GLN 30 -0.398 -8.719 9.768 214 HB3 GLN 30 HB1 GLN 30 -0.371 -7.154 8.980 215 HG2 GLN 30 HG2 GLN 30 0.273 -7.634 11.910 216 HG3 GLN 30 HG1 GLN 30 1.471 -7.523 10.627 217 HE21 GLN 30 HE21 GLN 30 -0.690 -5.749 12.673 218 HE22 GLN 30 HE22 GLN 30 -0.107 -4.177 12.279 219 H TRP 31 HN TRP 31 -2.443 -6.362 8.041 220 HA TRP 31 HA TRP 31 -2.332 -3.606 8.669 221 HB2 TRP 31 HB2 TRP 31 -3.526 -5.030 6.259 222 HB3 TRP 31 HB1 TRP 31 -3.318 -3.287 6.365 223 HD1 TRP 31 HD1 TRP 31 -0.153 -4.100 7.737 224 HE1 TRP 31 HE1 TRP 31 1.654 -4.393 5.904 225 HE3 TRP 31 HE3 TRP 31 -3.173 -4.783 3.649 226 HZ2 TRP 31 HZ2 TRP 31 1.762 -4.852 3.131 227 HZ3 TRP 31 HZ3 TRP 31 -2.150 -5.125 1.458 228 HH2 TRP 31 HH2 TRP 31 0.269 -5.159 1.202 229 H ARG 32 HN ARG 32 -4.923 -5.892 8.707 230 HA ARG 32 HA ARG 32 -7.152 -4.104 8.490 231 HB2 ARG 32 HB2 ARG 32 -7.152 -6.584 7.938 232 HB3 ARG 32 HB1 ARG 32 -7.014 -6.931 9.654 233 HG2 ARG 32 HG2 ARG 32 -9.225 -5.727 9.964 234 HG3 ARG 32 HG1 ARG 32 -9.347 -5.660 8.202 235 HD2 ARG 32 HD2 ARG 32 -9.023 -8.226 8.260 236 HD3 ARG 32 HD1 ARG 32 -9.338 -8.103 9.994 237 HE ARG 32 HE ARG 32 -11.380 -6.778 8.623 238 HH11 ARG 32 HH11 ARG 32 -11.806 -10.790 8.743 239 HH12 ARG 32 HH12 ARG 32 -10.240 -10.088 9.008 240 HH21 ARG 32 HH21 ARG 32 -13.630 -9.418 8.310 241 HH22 ARG 32 HH22 ARG 32 -13.432 -7.693 8.251 242 H ALA 33 HN ALA 33 -5.625 -5.932 11.135 243 HA ALA 33 HA ALA 33 -7.048 -4.733 13.276 244 HB1 ALA 33 HB1 ALA 33 -5.931 -6.912 13.495 245 HB2 ALA 33 HB2 ALA 33 -5.332 -5.790 14.716 246 HB3 ALA 33 HB3 ALA 33 -4.353 -6.145 13.287 247 H ARG 34 HN ARG 34 -4.240 -3.822 11.461 248 HA ARG 34 HA ARG 34 -3.171 -1.854 13.274 249 HB2 ARG 34 HB2 ARG 34 -1.802 -3.218 11.790 250 HB3 ARG 34 HB1 ARG 34 -2.572 -2.506 10.380 251 HG2 ARG 34 HG2 ARG 34 -1.421 -0.514 10.574 252 HG3 ARG 34 HG1 ARG 34 -1.189 -0.670 12.315 253 HD2 ARG 34 HD2 ARG 34 0.535 -2.289 12.037 254 HD3 ARG 34 HD1 ARG 34 0.117 -2.545 10.354 255 HE ARG 34 HE ARG 34 1.062 0.130 10.949 256 HH11 ARG 34 HH11 ARG 34 3.551 -2.623 9.369 257 HH12 ARG 34 HH12 ARG 34 2.037 -3.138 10.039 258 HH21 ARG 34 HH21 ARG 34 4.152 -0.435 9.414 259 HH22 ARG 34 HH22 ARG 34 3.108 0.753 10.122 260 H GLY 35 HN GLY 35 -5.385 -1.914 10.563 261 HA2 GLY 35 HA2 GLY 35 -6.705 -0.340 9.528 262 HA3 GLY 35 HA1 GLY 35 -6.389 0.729 10.886 263 H ARG 36 HN ARG 36 -3.672 -0.519 9.206 264 HA ARG 36 HA ARG 36 -3.189 1.795 7.527 265 HB2 ARG 36 HB2 ARG 36 -1.843 1.425 10.198 266 HB3 ARG 36 HB1 ARG 36 -0.819 1.957 8.873 267 HG2 ARG 36 HG2 ARG 36 -1.609 4.073 8.948 268 HG3 ARG 36 HG1 ARG 36 -3.296 3.562 9.043 269 HD2 ARG 36 HD2 ARG 36 -1.369 3.622 11.399 270 HD3 ARG 36 HD1 ARG 36 -2.544 4.884 11.018 271 HE ARG 36 HE ARG 36 -3.104 2.195 12.024 272 HH11 ARG 36 HH11 ARG 36 -4.421 5.296 11.000 273 HH12 ARG 36 HH12 ARG 36 -5.975 4.995 11.706 274 HH21 ARG 36 HH21 ARG 36 -5.177 1.803 12.889 275 HH22 ARG 36 HH22 ARG 36 -6.401 3.029 12.767 276 H VAL 37 HN VAL 37 -1.758 1.367 5.943 277 HA VAL 37 HA VAL 37 -0.351 -1.254 5.902 278 HB VAL 37 HB VAL 37 -0.766 -1.434 3.527 279 HG11 VAL 37 HG11 VAL 37 -2.646 -2.164 4.929 280 HG12 VAL 37 HG12 VAL 37 -3.217 -1.544 3.384 281 HG13 VAL 37 HG13 VAL 37 -3.362 -0.553 4.837 282 HG21 VAL 37 HG21 VAL 37 -2.021 1.334 3.621 283 HG22 VAL 37 HG22 VAL 37 -2.007 0.269 2.212 284 HG23 VAL 37 HG23 VAL 37 -0.494 0.899 2.854 285 HA PRO 38 HA PRO 38 3.538 0.993 4.744 286 HB2 PRO 38 HB2 PRO 38 3.539 -1.138 2.563 287 HB3 PRO 38 HB1 PRO 38 4.878 -0.582 3.596 288 HG2 PRO 38 HG2 PRO 38 3.699 -2.853 4.159 289 HG3 PRO 38 HG1 PRO 38 4.068 -1.716 5.480 290 HD2 PRO 38 HD2 PRO 38 1.427 -2.262 4.141 291 HD3 PRO 38 HD1 PRO 38 1.786 -1.985 5.860 292 H ALA 39 HN ALA 39 4.310 2.341 3.061 293 HA ALA 39 HA ALA 39 2.473 3.989 1.849 294 HB1 ALA 39 HB1 ALA 39 4.791 4.638 2.334 295 HB2 ALA 39 HB2 ALA 39 4.383 4.996 0.655 296 HB3 ALA 39 HB3 ALA 39 5.375 3.586 1.039 297 H GLY 40 HN GLY 40 1.338 3.964 -0.040 298 HA2 GLY 40 HA2 GLY 40 0.716 3.617 -2.222 299 HA3 GLY 40 HA1 GLY 40 2.298 2.912 -2.528 300 H ARG 41 HN ARG 41 -0.567 2.067 -0.551 301 HA ARG 41 HA ARG 41 -0.970 -0.374 -2.099 302 HB2 ARG 41 HB2 ARG 41 0.623 -0.953 -0.198 303 HB3 ARG 41 HB1 ARG 41 -0.654 -0.536 0.926 304 HG2 ARG 41 HG2 ARG 41 -0.807 -2.855 0.783 305 HG3 ARG 41 HG1 ARG 41 -2.074 -2.320 -0.319 306 HD2 ARG 41 HD2 ARG 41 0.711 -3.246 -1.098 307 HD3 ARG 41 HD1 ARG 41 -0.779 -4.174 -1.262 308 HE ARG 41 HE ARG 41 -1.344 -1.993 -2.759 309 HH11 ARG 41 HH11 ARG 41 1.823 -3.895 -4.413 310 HH12 ARG 41 HH12 ARG 41 1.469 -4.153 -2.734 311 HH21 ARG 41 HH21 ARG 41 -0.798 -1.656 -4.957 312 HH22 ARG 41 HH22 ARG 41 0.550 -2.496 -5.659 313 H CYS 42 HN CYS 42 -2.035 1.791 0.481 314 HA CYS 42 HA CYS 42 -4.744 0.939 0.569 315 HB2 CYS 42 HB2 CYS 42 -3.264 3.354 1.518 316 HB3 CYS 42 HB1 CYS 42 -5.010 3.485 1.387 317 H ILE 43 HN ILE 43 -3.002 2.802 -1.767 318 HA ILE 43 HA ILE 43 -5.049 4.101 -3.164 319 HB ILE 43 HB ILE 43 -2.646 2.581 -4.293 320 HG12 ILE 43 HG12 ILE 43 -2.000 4.352 -2.665 321 HG13 ILE 43 HG11 ILE 43 -1.437 4.706 -4.289 322 HG21 ILE 43 HG21 ILE 43 -4.362 4.697 -5.643 323 HG22 ILE 43 HG22 ILE 43 -4.260 2.987 -6.071 324 HG23 ILE 43 HG23 ILE 43 -2.860 4.032 -6.291 325 HD11 ILE 43 HD11 ILE 43 -3.798 5.992 -2.910 326 HD12 ILE 43 HD12 ILE 43 -3.257 6.341 -4.554 327 HD13 ILE 43 HD13 ILE 43 -2.213 6.710 -3.185 328 H ASP 44 HN ASP 44 -3.904 0.714 -3.346 329 HA ASP 44 HA ASP 44 -5.787 -0.137 -5.354 330 HB2 ASP 44 HB2 ASP 44 -4.289 -1.975 -3.445 331 HB3 ASP 44 HB1 ASP 44 -4.847 -2.328 -5.075 332 H ILE 45 HN ILE 45 -5.498 -0.511 -1.853 333 HA ILE 45 HA ILE 45 -7.743 -2.136 -1.371 334 HB ILE 45 HB ILE 45 -6.180 -0.226 0.414 335 HG12 ILE 45 HG12 ILE 45 -6.289 -3.275 0.219 336 HG13 ILE 45 HG11 ILE 45 -4.960 -2.238 -0.291 337 HG21 ILE 45 HG21 ILE 45 -8.398 -2.085 1.328 338 HG22 ILE 45 HG22 ILE 45 -8.452 -0.322 1.332 339 HG23 ILE 45 HG23 ILE 45 -7.317 -1.166 2.380 340 HD11 ILE 45 HD11 ILE 45 -4.582 -1.612 2.065 341 HD12 ILE 45 HD12 ILE 45 -4.422 -3.342 1.774 342 HD13 ILE 45 HD13 ILE 45 -5.878 -2.714 2.555 343 H GLU 46 HN GLU 46 -7.425 1.390 -1.655 344 HA GLU 46 HA GLU 46 -10.124 1.963 -0.807 345 HB2 GLU 46 HB2 GLU 46 -8.156 3.552 -0.545 346 HB3 GLU 46 HB1 GLU 46 -8.227 3.838 -2.280 347 HG2 GLU 46 HG2 GLU 46 -10.502 4.744 -2.038 348 HG3 GLU 46 HG1 GLU 46 -10.453 4.420 -0.301 349 H LEU 47 HN LEU 47 -8.442 1.432 -3.859 350 HA LEU 47 HA LEU 47 -10.461 1.988 -5.715 351 HB2 LEU 47 HB2 LEU 47 -7.895 0.740 -5.708 352 HB3 LEU 47 HB1 LEU 47 -8.958 -0.476 -6.381 353 HG LEU 47 HG LEU 47 -8.665 2.351 -7.474 354 HD11 LEU 47 HD11 LEU 47 -7.348 1.351 -9.294 355 HD12 LEU 47 HD12 LEU 47 -7.423 -0.228 -8.508 356 HD13 LEU 47 HD13 LEU 47 -6.563 1.108 -7.735 357 HD21 LEU 47 HD21 LEU 47 -10.847 1.375 -8.003 358 HD22 LEU 47 HD22 LEU 47 -10.075 -0.086 -8.629 359 HD23 LEU 47 HD23 LEU 47 -9.852 1.460 -9.456 360 H TYR 48 HN TYR 48 -10.117 -0.653 -3.431 361 HA TYR 48 HA TYR 48 -12.337 -2.224 -4.525 362 HB2 TYR 48 HB2 TYR 48 -10.771 -2.771 -1.958 363 HB3 TYR 48 HB1 TYR 48 -11.801 -3.905 -2.845 364 HD1 TYR 48 HD1 TYR 48 -8.691 -3.997 -1.995 365 HD2 TYR 48 HD2 TYR 48 -10.756 -3.280 -5.670 366 HE1 TYR 48 HE1 TYR 48 -6.721 -4.752 -3.259 367 HE2 TYR 48 HE2 TYR 48 -8.789 -4.035 -6.919 368 HH TYR 48 HH TYR 48 -6.293 -4.173 -6.509 369 H THR 49 HN THR 49 -11.754 0.188 -2.120 370 HA THR 49 HA THR 49 -14.478 -0.151 -0.996 371 HB THR 49 HB THR 49 -13.692 1.023 1.001 372 HG1 THR 49 HG1 THR 49 -12.179 2.453 0.190 373 HG21 THR 49 HG21 THR 49 -12.059 -0.585 1.854 374 HG22 THR 49 HG22 THR 49 -11.621 -1.066 0.216 375 HG23 THR 49 HG23 THR 49 -13.227 -1.435 0.842 376 H ASP 50 HN ASP 50 -14.815 0.709 -3.202 377 HA ASP 50 HA ASP 50 -14.184 3.416 -3.915 378 HB2 ASP 50 HB2 ASP 50 -14.304 1.495 -5.506 379 HB3 ASP 50 HB1 ASP 50 -16.034 1.364 -5.216 380 H GLY 51 HN GLY 51 -15.594 3.623 -1.518 381 HA2 GLY 51 HA2 GLY 51 -17.148 5.727 -1.596 382 HA3 GLY 51 HA1 GLY 51 -18.313 4.543 -2.166 383 H ARG 52 HN ARG 52 -16.574 2.726 -0.124 384 HA ARG 52 HA ARG 52 -18.589 2.958 1.958 385 HB2 ARG 52 HB2 ARG 52 -17.368 0.787 0.898 386 HB3 ARG 52 HB1 ARG 52 -16.236 1.062 2.205 387 HG2 ARG 52 HG2 ARG 52 -19.213 0.504 2.499 388 HG3 ARG 52 HG1 ARG 52 -17.907 -0.642 2.776 389 HD2 ARG 52 HD2 ARG 52 -18.472 0.002 4.939 390 HD3 ARG 52 HD1 ARG 52 -17.110 1.066 4.589 391 HE ARG 52 HE ARG 52 -18.874 2.791 4.019 392 HH11 ARG 52 HH11 ARG 52 -20.716 1.187 7.225 393 HH12 ARG 52 HH12 ARG 52 -19.533 0.253 6.367 394 HH21 ARG 52 HH21 ARG 52 -21.234 3.318 6.517 395 HH22 ARG 52 HH22 ARG 52 -20.439 4.001 5.133 396 H VAL 53 HN VAL 53 -15.006 2.955 1.896 397 HA VAL 53 HA VAL 53 -14.800 5.095 3.824 398 HB VAL 53 HB VAL 53 -15.153 3.191 5.361 399 HG11 VAL 53 HG11 VAL 53 -14.419 1.369 3.915 400 HG12 VAL 53 HG12 VAL 53 -13.632 1.286 5.490 401 HG13 VAL 53 HG13 VAL 53 -12.738 1.891 4.093 402 HG21 VAL 53 HG21 VAL 53 -13.639 4.975 6.134 403 HG22 VAL 53 HG22 VAL 53 -12.256 4.117 5.451 404 HG23 VAL 53 HG23 VAL 53 -13.156 3.413 6.797 405 H GLU 54 HN GLU 54 -12.607 5.916 3.941 406 HA GLU 54 HA GLU 54 -10.947 5.276 1.620 407 HB2 GLU 54 HB2 GLU 54 -10.749 7.491 3.704 408 HB3 GLU 54 HB1 GLU 54 -9.651 7.309 2.338 409 HG2 GLU 54 HG2 GLU 54 -11.498 7.661 0.765 410 HG3 GLU 54 HG1 GLU 54 -12.634 7.777 2.108 411 H CYS 55 HN CYS 55 -8.747 4.657 1.766 412 HA CYS 55 HA CYS 55 -8.142 3.092 4.197 413 HB2 CYS 55 HB2 CYS 55 -8.150 1.999 1.909 414 HB3 CYS 55 HB1 CYS 55 -6.729 2.951 1.508 415 H ARG 56 HN ARG 56 -6.449 3.576 5.508 416 HA ARG 56 HA ARG 56 -4.804 5.950 4.899 417 HB2 ARG 56 HB2 ARG 56 -5.562 4.523 7.469 418 HB3 ARG 56 HB1 ARG 56 -4.123 5.532 7.430 419 HG2 ARG 56 HG2 ARG 56 -6.016 6.794 8.316 420 HG3 ARG 56 HG1 ARG 56 -5.461 7.488 6.795 421 HD2 ARG 56 HD2 ARG 56 -7.364 6.210 5.663 422 HD3 ARG 56 HD1 ARG 56 -7.968 5.848 7.283 423 HE ARG 56 HE ARG 56 -7.528 8.640 6.965 424 HH11 ARG 56 HH11 ARG 56 -11.145 7.240 5.871 425 HH12 ARG 56 HH12 ARG 56 -9.826 6.129 6.037 426 HH21 ARG 56 HH21 ARG 56 -9.238 10.075 6.680 427 HH22 ARG 56 HH22 ARG 56 -10.809 9.486 6.239 428 H GLU 57 HN GLU 57 -2.966 5.486 3.844 429 HA GLU 57 HA GLU 57 -1.286 3.200 4.686 430 HB2 GLU 57 HB2 GLU 57 0.058 3.682 2.616 431 HB3 GLU 57 HB1 GLU 57 -1.599 3.206 2.290 432 HG2 GLU 57 HG2 GLU 57 -2.188 5.582 1.900 433 HG3 GLU 57 HG1 GLU 57 -0.503 6.027 2.171 434 H LEU 58 HN LEU 58 1.029 3.626 4.872 435 HA LEU 58 HA LEU 58 1.471 6.094 6.393 436 HB2 LEU 58 HB2 LEU 58 2.991 3.454 6.332 437 HB3 LEU 58 HB1 LEU 58 3.433 4.835 7.333 438 HG LEU 58 HG LEU 58 0.808 3.306 7.549 439 HD11 LEU 58 HD11 LEU 58 1.670 2.397 9.634 440 HD12 LEU 58 HD12 LEU 58 3.222 3.201 9.370 441 HD13 LEU 58 HD13 LEU 58 2.684 1.929 8.271 442 HD21 LEU 58 HD21 LEU 58 1.923 5.526 9.290 443 HD22 LEU 58 HD22 LEU 58 0.465 4.589 9.630 444 HD23 LEU 58 HD23 LEU 58 0.528 5.628 8.210 445 H ARG 59 HN ARG 59 2.407 7.672 5.354 446 HA ARG 59 HA ARG 59 3.178 7.617 2.706 447 HB2 ARG 59 HB2 ARG 59 3.966 9.915 3.046 448 HB3 ARG 59 HB1 ARG 59 2.453 9.651 3.926 449 HG2 ARG 59 HG2 ARG 59 3.703 9.362 6.028 450 HG3 ARG 59 HG1 ARG 59 5.223 9.625 5.168 451 HD2 ARG 59 HD2 ARG 59 2.980 11.609 5.597 452 HD3 ARG 59 HD1 ARG 59 4.605 11.668 6.282 453 HE ARG 59 HE ARG 59 3.849 12.199 3.481 454 HH11 ARG 59 HH11 ARG 59 6.329 12.352 5.977 455 HH12 ARG 59 HH12 ARG 59 7.363 13.381 5.036 456 HH21 ARG 59 HH21 ARG 59 6.728 14.055 2.936 457 HH22 ARG 59 HH22 ARG 59 5.209 13.538 2.271 458 HA PRO 60 HA PRO 60 7.342 6.193 2.396 459 HB2 PRO 60 HB2 PRO 60 8.494 7.849 0.520 460 HB3 PRO 60 HB1 PRO 60 7.232 6.668 0.112 461 HG2 PRO 60 HG2 PRO 60 6.937 9.614 0.649 462 HG3 PRO 60 HG1 PRO 60 6.265 8.640 -0.684 463 HD2 PRO 60 HD2 PRO 60 4.759 9.278 1.465 464 HD3 PRO 60 HD1 PRO 60 4.604 7.693 0.660 465 H ASP 61 HN ASP 61 6.927 9.547 3.283 466 HA ASP 61 HA ASP 61 8.188 11.181 4.214 467 HB2 ASP 61 HB2 ASP 61 9.368 8.785 5.713 468 HB3 ASP 61 HB1 ASP 61 9.624 10.463 6.178 469 H VAL 62 HN VAL 62 9.031 10.802 1.799 470 HA VAL 62 HA VAL 62 10.629 11.062 0.254 471 HB VAL 62 HB VAL 62 12.616 11.364 2.565 472 HG11 VAL 62 HG11 VAL 62 14.176 12.310 0.892 473 HG12 VAL 62 HG12 VAL 62 13.035 11.936 -0.399 474 HG13 VAL 62 HG13 VAL 62 13.781 10.631 0.525 475 HG21 VAL 62 HG21 VAL 62 11.267 13.491 0.840 476 HG22 VAL 62 HG22 VAL 62 12.477 13.795 2.088 477 HG23 VAL 62 HG23 VAL 62 10.902 13.143 2.533 478 H PHE 63 HN PHE 63 10.979 9.359 -0.973 479 HA PHE 63 HA PHE 63 12.692 7.123 -0.186 480 HB2 PHE 63 HB2 PHE 63 10.440 6.400 0.556 481 HB3 PHE 63 HB1 PHE 63 9.775 6.758 -1.028 482 HD1 PHE 63 HD1 PHE 63 12.266 4.544 0.700 483 HD2 PHE 63 HD2 PHE 63 9.676 5.046 -2.669 484 HE1 PHE 63 HE1 PHE 63 12.698 2.219 0.013 485 HE2 PHE 63 HE2 PHE 63 10.117 2.722 -3.346 486 HZ PHE 63 HZ PHE 63 11.622 1.306 -2.007 487 H GLY 64 HN GLY 64 13.417 5.900 -2.043 488 HA2 GLY 64 HA2 GLY 64 13.941 5.514 -4.255 489 HA3 GLY 64 HA1 GLY 64 12.642 6.593 -4.735 490 H ALA 65 HN ALA 65 15.500 7.193 -2.700 491 HA ALA 65 HA ALA 65 16.238 9.608 -4.061 492 HB1 ALA 65 HB1 ALA 65 17.770 7.984 -1.992 493 HB2 ALA 65 HB2 ALA 65 16.667 9.319 -1.660 494 HB3 ALA 65 HB3 ALA 65 18.177 9.619 -2.520 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -14.761 -2.325 12.386 2 H2 MET 1 HT2 MET 1 -14.063 -0.794 12.529 3 H3 MET 1 HT3 MET 1 -13.078 -2.155 12.351 4 HA MET 1 HA MET 1 -13.885 -2.542 10.149 5 HB2 MET 1 HB2 MET 1 -16.193 -1.684 10.510 6 HB3 MET 1 HB1 MET 1 -15.581 -0.038 10.594 7 HG2 MET 1 HG2 MET 1 -14.871 -0.169 8.249 8 HG3 MET 1 HG1 MET 1 -15.426 -1.840 8.163 9 HE1 MET 1 HE1 MET 1 -16.510 1.952 8.401 10 HE2 MET 1 HE2 MET 1 -17.175 1.301 9.901 11 HE3 MET 1 HE3 MET 1 -18.256 1.806 8.606 12 H ASN 2 HN ASN 2 -12.279 -2.023 8.848 13 HA ASN 2 HA ASN 2 -11.379 0.770 8.513 14 HB2 ASN 2 HB2 ASN 2 -8.998 -0.131 8.231 15 HB3 ASN 2 HB1 ASN 2 -9.607 -0.110 9.877 16 HD21 ASN 2 HD21 ASN 2 -9.994 -2.070 10.905 17 HD22 ASN 2 HD22 ASN 2 -9.359 -3.553 10.303 18 H ALA 3 HN ALA 3 -10.085 0.923 6.418 19 HA ALA 3 HA ALA 3 -11.735 0.059 4.312 20 HB1 ALA 3 HB1 ALA 3 -10.466 2.129 4.236 21 HB2 ALA 3 HB2 ALA 3 -10.122 1.128 2.827 22 HB3 ALA 3 HB3 ALA 3 -8.951 1.224 4.150 23 H ILE 4 HN ILE 4 -8.798 -1.293 5.606 24 HA ILE 4 HA ILE 4 -8.127 -3.049 3.474 25 HB ILE 4 HB ILE 4 -7.550 -3.592 6.413 26 HG12 ILE 4 HG12 ILE 4 -5.211 -2.552 5.799 27 HG13 ILE 4 HG11 ILE 4 -6.090 -1.733 4.517 28 HG21 ILE 4 HG21 ILE 4 -7.157 -5.509 4.935 29 HG22 ILE 4 HG22 ILE 4 -5.638 -4.903 5.593 30 HG23 ILE 4 HG23 ILE 4 -6.089 -4.528 3.927 31 HD11 ILE 4 HD11 ILE 4 -5.780 -0.298 6.433 32 HD12 ILE 4 HD12 ILE 4 -6.573 -1.467 7.488 33 HD13 ILE 4 HD13 ILE 4 -7.499 -0.641 6.229 34 H ASP 5 HN ASP 5 -10.006 -3.400 6.452 35 HA ASP 5 HA ASP 5 -10.944 -6.020 6.323 36 HB2 ASP 5 HB2 ASP 5 -11.160 -4.500 8.277 37 HB3 ASP 5 HB1 ASP 5 -12.336 -3.530 7.410 38 H ILE 6 HN ILE 6 -12.380 -3.063 5.002 39 HA ILE 6 HA ILE 6 -14.743 -4.258 3.938 40 HB ILE 6 HB ILE 6 -13.397 -1.567 3.467 41 HG12 ILE 6 HG12 ILE 6 -14.328 -1.921 5.737 42 HG13 ILE 6 HG11 ILE 6 -15.210 -0.667 4.878 43 HG21 ILE 6 HG21 ILE 6 -15.484 -0.769 2.386 44 HG22 ILE 6 HG22 ILE 6 -16.114 -2.419 2.393 45 HG23 ILE 6 HG23 ILE 6 -14.681 -2.020 1.442 46 HD11 ILE 6 HD11 ILE 6 -17.032 -2.260 4.437 47 HD12 ILE 6 HD12 ILE 6 -16.714 -2.087 6.161 48 HD13 ILE 6 HD13 ILE 6 -16.141 -3.516 5.302 49 H ALA 7 HN ALA 7 -11.519 -3.683 2.577 50 HA ALA 7 HA ALA 7 -12.225 -4.316 -0.149 51 HB1 ALA 7 HB1 ALA 7 -9.833 -4.360 -0.604 52 HB2 ALA 7 HB2 ALA 7 -9.480 -4.346 1.133 53 HB3 ALA 7 HB3 ALA 7 -10.245 -2.948 0.380 54 H ILE 8 HN ILE 8 -11.039 -6.180 2.607 55 HA ILE 8 HA ILE 8 -10.683 -8.727 1.435 56 HB ILE 8 HB ILE 8 -11.757 -8.003 4.207 57 HG12 ILE 8 HG12 ILE 8 -8.906 -8.799 3.474 58 HG13 ILE 8 HG11 ILE 8 -9.440 -7.127 3.528 59 HG21 ILE 8 HG21 ILE 8 -11.042 -10.278 4.920 60 HG22 ILE 8 HG22 ILE 8 -10.640 -10.672 3.245 61 HG23 ILE 8 HG23 ILE 8 -12.312 -10.337 3.702 62 HD11 ILE 8 HD11 ILE 8 -9.344 -9.052 5.827 63 HD12 ILE 8 HD12 ILE 8 -9.982 -7.408 5.909 64 HD13 ILE 8 HD13 ILE 8 -8.282 -7.679 5.529 65 H ASN 9 HN ASN 9 -13.516 -7.170 2.866 66 HA ASN 9 HA ASN 9 -15.422 -9.220 2.415 67 HB2 ASN 9 HB2 ASN 9 -15.852 -6.219 2.748 68 HB3 ASN 9 HB1 ASN 9 -17.092 -7.459 2.931 69 HD21 ASN 9 HD21 ASN 9 -16.042 -5.443 4.829 70 HD22 ASN 9 HD22 ASN 9 -15.504 -6.320 6.216 71 H LYS 10 HN LYS 10 -14.241 -6.571 0.436 72 HA LYS 10 HA LYS 10 -16.359 -6.602 -1.497 73 HB2 LYS 10 HB2 LYS 10 -14.479 -4.742 -0.848 74 HB3 LYS 10 HB1 LYS 10 -13.654 -5.437 -2.236 75 HG2 LYS 10 HG2 LYS 10 -16.509 -4.766 -2.766 76 HG3 LYS 10 HG1 LYS 10 -15.540 -3.382 -2.284 77 HD2 LYS 10 HD2 LYS 10 -15.504 -3.455 -4.660 78 HD3 LYS 10 HD1 LYS 10 -13.909 -3.954 -4.104 79 HE2 LYS 10 HE2 LYS 10 -14.461 -6.294 -4.570 80 HE3 LYS 10 HE1 LYS 10 -16.095 -5.836 -5.059 81 HZ1 LYS 10 HZ1 LYS 10 -13.606 -4.894 -6.379 82 HZ2 LYS 10 HZ2 LYS 10 -15.192 -4.603 -6.894 83 HZ3 LYS 10 HZ3 LYS 10 -14.561 -6.171 -6.932 84 H LEU 11 HN LEU 11 -13.036 -7.934 -1.404 85 HA LEU 11 HA LEU 11 -13.339 -9.147 -4.037 86 HB2 LEU 11 HB2 LEU 11 -11.000 -9.446 -2.127 87 HB3 LEU 11 HB1 LEU 11 -11.040 -9.916 -3.819 88 HG LEU 11 HG LEU 11 -10.795 -7.148 -2.618 89 HD11 LEU 11 HD11 LEU 11 -8.935 -6.933 -4.228 90 HD12 LEU 11 HD12 LEU 11 -9.274 -8.558 -4.831 91 HD13 LEU 11 HD13 LEU 11 -8.734 -8.325 -3.170 92 HD21 LEU 11 HD21 LEU 11 -12.652 -6.894 -4.187 93 HD22 LEU 11 HD22 LEU 11 -11.705 -7.657 -5.469 94 HD23 LEU 11 HD23 LEU 11 -11.209 -6.098 -4.799 95 H GLY 12 HN GLY 12 -14.160 -10.042 -0.888 96 HA2 GLY 12 HA2 GLY 12 -15.520 -11.965 -0.517 97 HA3 GLY 12 HA1 GLY 12 -14.635 -12.824 -1.769 98 H SER 13 HN SER 13 -11.956 -11.991 -0.729 99 HA SER 13 HA SER 13 -11.740 -13.170 1.920 100 HB2 SER 13 HB2 SER 13 -10.302 -15.076 1.175 101 HB3 SER 13 HB1 SER 13 -11.945 -15.193 0.535 102 HG SER 13 HG SER 13 -11.236 -14.829 -1.433 103 H VAL 14 HN VAL 14 -9.426 -13.455 2.548 104 HA VAL 14 HA VAL 14 -7.801 -11.149 1.876 105 HB VAL 14 HB VAL 14 -7.659 -13.384 3.941 106 HG11 VAL 14 HG11 VAL 14 -5.438 -11.364 3.467 107 HG12 VAL 14 HG12 VAL 14 -5.322 -13.111 3.288 108 HG13 VAL 14 HG13 VAL 14 -5.581 -12.414 4.884 109 HG21 VAL 14 HG21 VAL 14 -7.786 -10.357 4.136 110 HG22 VAL 14 HG22 VAL 14 -7.729 -11.474 5.513 111 HG23 VAL 14 HG23 VAL 14 -9.108 -11.501 4.420 112 H SER 15 HN SER 15 -7.837 -14.607 1.226 113 HA SER 15 HA SER 15 -5.267 -14.818 0.076 114 HB2 SER 15 HB2 SER 15 -6.400 -16.824 -1.167 115 HB3 SER 15 HB1 SER 15 -6.305 -16.872 0.594 116 HG SER 15 HG SER 15 -8.559 -16.156 -0.986 117 H ALA 16 HN ALA 16 -8.398 -13.787 -1.213 118 HA ALA 16 HA ALA 16 -7.524 -13.376 -3.927 119 HB1 ALA 16 HB1 ALA 16 -9.898 -13.758 -3.384 120 HB2 ALA 16 HB2 ALA 16 -9.691 -12.213 -4.208 121 HB3 ALA 16 HB3 ALA 16 -9.947 -12.254 -2.461 122 H LEU 17 HN LEU 17 -7.866 -11.309 -1.044 123 HA LEU 17 HA LEU 17 -7.397 -8.831 -2.347 124 HB2 LEU 17 HB2 LEU 17 -8.579 -8.992 -0.174 125 HB3 LEU 17 HB1 LEU 17 -7.085 -9.505 0.602 126 HG LEU 17 HG LEU 17 -6.050 -7.333 0.073 127 HD11 LEU 17 HD11 LEU 17 -7.379 -5.439 -0.788 128 HD12 LEU 17 HD12 LEU 17 -8.755 -6.519 -1.041 129 HD13 LEU 17 HD13 LEU 17 -7.269 -6.743 -1.968 130 HD21 LEU 17 HD21 LEU 17 -8.659 -6.978 1.550 131 HD22 LEU 17 HD22 LEU 17 -7.240 -5.930 1.655 132 HD23 LEU 17 HD23 LEU 17 -7.147 -7.593 2.229 133 H ALA 18 HN ALA 18 -5.276 -10.826 -0.349 134 HA ALA 18 HA ALA 18 -2.943 -9.266 -0.490 135 HB1 ALA 18 HB1 ALA 18 -3.360 -11.002 1.215 136 HB2 ALA 18 HB2 ALA 18 -1.798 -11.212 0.424 137 HB3 ALA 18 HB3 ALA 18 -3.159 -12.252 -0.015 138 H ALA 19 HN ALA 19 -4.125 -11.928 -2.534 139 HA ALA 19 HA ALA 19 -1.898 -12.246 -4.234 140 HB1 ALA 19 HB1 ALA 19 -3.504 -13.189 -5.851 141 HB2 ALA 19 HB2 ALA 19 -4.847 -12.526 -4.915 142 HB3 ALA 19 HB3 ALA 19 -3.825 -13.778 -4.214 143 H ALA 20 HN ALA 20 -4.516 -9.865 -4.238 144 HA ALA 20 HA ALA 20 -3.780 -8.611 -6.748 145 HB1 ALA 20 HB1 ALA 20 -5.729 -7.724 -4.597 146 HB2 ALA 20 HB2 ALA 20 -6.122 -8.688 -6.023 147 HB3 ALA 20 HB3 ALA 20 -5.584 -7.016 -6.206 148 H LEU 21 HN LEU 21 -3.130 -8.114 -3.338 149 HA LEU 21 HA LEU 21 -1.994 -5.440 -3.691 150 HB2 LEU 21 HB2 LEU 21 -2.471 -7.156 -1.235 151 HB3 LEU 21 HB1 LEU 21 -1.698 -5.577 -1.171 152 HG LEU 21 HG LEU 21 -4.560 -6.130 -2.063 153 HD11 LEU 21 HD11 LEU 21 -3.488 -4.788 0.428 154 HD12 LEU 21 HD12 LEU 21 -4.336 -6.335 0.320 155 HD13 LEU 21 HD13 LEU 21 -5.190 -4.839 -0.052 156 HD21 LEU 21 HD21 LEU 21 -3.642 -4.276 -3.351 157 HD22 LEU 21 HD22 LEU 21 -3.097 -3.481 -1.870 158 HD23 LEU 21 HD23 LEU 21 -4.824 -3.686 -2.188 159 H GLY 22 HN GLY 22 -0.866 -8.584 -3.916 160 HA2 GLY 22 HA2 GLY 22 1.236 -9.369 -4.436 161 HA3 GLY 22 HA1 GLY 22 1.836 -7.722 -4.349 162 H VAL 23 HN VAL 23 0.180 -9.263 -1.677 163 HA VAL 23 HA VAL 23 2.719 -9.617 -0.165 164 HB VAL 23 HB VAL 23 1.554 -8.758 1.876 165 HG11 VAL 23 HG11 VAL 23 2.980 -7.200 0.626 166 HG12 VAL 23 HG12 VAL 23 1.605 -6.348 1.330 167 HG13 VAL 23 HG13 VAL 23 1.613 -6.729 -0.393 168 HG21 VAL 23 HG21 VAL 23 -0.792 -9.212 1.231 169 HG22 VAL 23 HG22 VAL 23 -0.706 -7.963 -0.016 170 HG23 VAL 23 HG23 VAL 23 -0.589 -7.521 1.689 171 H ASN 24 HN ASN 24 1.994 -10.794 2.052 172 HA ASN 24 HA ASN 24 0.676 -13.296 1.263 173 HB2 ASN 24 HB2 ASN 24 2.854 -13.277 2.474 174 HB3 ASN 24 HB1 ASN 24 2.077 -12.538 3.858 175 HD21 ASN 24 HD21 ASN 24 2.708 -14.259 5.193 176 HD22 ASN 24 HD22 ASN 24 1.993 -15.829 5.086 177 H GLN 25 HN GLN 25 -0.796 -14.321 2.812 178 HA GLN 25 HA GLN 25 -3.116 -12.813 3.353 179 HB2 GLN 25 HB2 GLN 25 -2.282 -15.612 4.192 180 HB3 GLN 25 HB1 GLN 25 -3.822 -14.934 4.682 181 HG2 GLN 25 HG2 GLN 25 -4.159 -16.377 2.794 182 HG3 GLN 25 HG1 GLN 25 -4.493 -14.720 2.318 183 HE21 GLN 25 HE21 GLN 25 -3.186 -13.755 0.737 184 HE22 GLN 25 HE22 GLN 25 -2.033 -14.641 -0.192 185 H SER 26 HN SER 26 -0.513 -13.941 5.468 186 HA SER 26 HA SER 26 -1.510 -13.045 7.958 187 HB2 SER 26 HB2 SER 26 0.327 -14.680 7.716 188 HB3 SER 26 HB1 SER 26 1.378 -13.431 7.058 189 HG SER 26 HG SER 26 1.084 -14.087 9.570 190 H ALA 27 HN ALA 27 0.276 -11.340 5.425 191 HA ALA 27 HA ALA 27 0.955 -8.985 6.848 192 HB1 ALA 27 HB1 ALA 27 0.350 -9.268 3.883 193 HB2 ALA 27 HB2 ALA 27 1.922 -9.510 4.649 194 HB3 ALA 27 HB3 ALA 27 1.176 -7.911 4.641 195 H ILE 28 HN ILE 28 -1.914 -9.818 4.903 196 HA ILE 28 HA ILE 28 -3.311 -7.351 5.176 197 HB ILE 28 HB ILE 28 -4.511 -10.114 4.725 198 HG12 ILE 28 HG12 ILE 28 -2.704 -9.589 3.077 199 HG13 ILE 28 HG11 ILE 28 -4.291 -9.774 2.343 200 HG21 ILE 28 HG21 ILE 28 -5.599 -7.369 4.006 201 HG22 ILE 28 HG22 ILE 28 -6.214 -8.438 5.269 202 HG23 ILE 28 HG23 ILE 28 -6.342 -8.919 3.580 203 HD11 ILE 28 HD11 ILE 28 -4.491 -7.345 2.177 204 HD12 ILE 28 HD12 ILE 28 -3.063 -7.954 1.343 205 HD13 ILE 28 HD13 ILE 28 -2.897 -7.171 2.912 206 H SER 29 HN SER 29 -3.370 -10.374 7.034 207 HA SER 29 HA SER 29 -5.457 -9.800 8.833 208 HB2 SER 29 HB2 SER 29 -4.456 -12.046 8.582 209 HB3 SER 29 HB1 SER 29 -2.943 -11.471 9.277 210 HG SER 29 HG SER 29 -4.924 -10.872 10.972 211 H GLN 30 HN GLN 30 -1.990 -9.081 8.969 212 HA GLN 30 HA GLN 30 -1.941 -7.767 11.485 213 HB2 GLN 30 HB2 GLN 30 0.053 -8.699 10.323 214 HB3 GLN 30 HB1 GLN 30 -0.091 -7.485 9.065 215 HG2 GLN 30 HG2 GLN 30 0.323 -6.624 11.934 216 HG3 GLN 30 HG1 GLN 30 1.685 -7.233 11.004 217 HE21 GLN 30 HE21 GLN 30 2.376 -6.055 9.154 218 HE22 GLN 30 HE22 GLN 30 2.001 -4.380 8.957 219 H TRP 31 HN TRP 31 -2.324 -6.579 8.156 220 HA TRP 31 HA TRP 31 -2.316 -3.811 8.683 221 HB2 TRP 31 HB2 TRP 31 -3.477 -5.392 6.376 222 HB3 TRP 31 HB1 TRP 31 -3.428 -3.633 6.405 223 HD1 TRP 31 HD1 TRP 31 -0.207 -4.427 7.829 224 HE1 TRP 31 HE1 TRP 31 1.618 -4.523 6.022 225 HE3 TRP 31 HE3 TRP 31 -3.154 -4.772 3.658 226 HZ2 TRP 31 HZ2 TRP 31 1.799 -4.718 3.211 227 HZ3 TRP 31 HZ3 TRP 31 -2.088 -4.889 1.466 228 HH2 TRP 31 HH2 TRP 31 0.331 -4.865 1.234 229 H ARG 32 HN ARG 32 -4.919 -6.192 8.753 230 HA ARG 32 HA ARG 32 -7.100 -4.328 8.730 231 HB2 ARG 32 HB2 ARG 32 -7.369 -6.779 8.119 232 HB3 ARG 32 HB1 ARG 32 -7.108 -7.200 9.809 233 HG2 ARG 32 HG2 ARG 32 -9.141 -5.513 10.200 234 HG3 ARG 32 HG1 ARG 32 -9.486 -5.874 8.513 235 HD2 ARG 32 HD2 ARG 32 -9.299 -7.900 10.776 236 HD3 ARG 32 HD1 ARG 32 -10.793 -7.292 10.061 237 HE ARG 32 HE ARG 32 -8.803 -8.905 8.567 238 HH11 ARG 32 HH11 ARG 32 -12.771 -9.425 8.246 239 HH12 ARG 32 HH12 ARG 32 -12.163 -8.205 9.315 240 HH21 ARG 32 HH21 ARG 32 -9.628 -10.503 7.199 241 HH22 ARG 32 HH22 ARG 32 -11.341 -10.725 7.045 242 H ALA 33 HN ALA 33 -5.461 -6.264 11.228 243 HA ALA 33 HA ALA 33 -6.862 -5.178 13.452 244 HB1 ALA 33 HB1 ALA 33 -5.815 -7.393 13.541 245 HB2 ALA 33 HB2 ALA 33 -5.180 -6.367 14.825 246 HB3 ALA 33 HB3 ALA 33 -4.213 -6.665 13.379 247 H ARG 34 HN ARG 34 -4.124 -4.086 11.646 248 HA ARG 34 HA ARG 34 -3.069 -2.182 13.546 249 HB2 ARG 34 HB2 ARG 34 -1.828 -3.344 11.629 250 HB3 ARG 34 HB1 ARG 34 -2.769 -2.373 10.512 251 HG2 ARG 34 HG2 ARG 34 -0.767 -1.245 10.605 252 HG3 ARG 34 HG1 ARG 34 -1.741 -0.336 11.752 253 HD2 ARG 34 HD2 ARG 34 -0.638 -1.305 13.621 254 HD3 ARG 34 HD1 ARG 34 0.099 -2.578 12.644 255 HE ARG 34 HE ARG 34 1.018 0.155 12.965 256 HH11 ARG 34 HH11 ARG 34 1.278 -2.763 11.022 257 HH12 ARG 34 HH12 ARG 34 2.826 -2.337 10.369 258 HH21 ARG 34 HH21 ARG 34 3.070 0.696 12.110 259 HH22 ARG 34 HH22 ARG 34 3.847 -0.375 10.990 260 H GLY 35 HN GLY 35 -5.355 -2.269 10.889 261 HA2 GLY 35 HA2 GLY 35 -6.969 -0.830 10.116 262 HA3 GLY 35 HA1 GLY 35 -6.619 0.251 11.459 263 H ARG 36 HN ARG 36 -3.994 -0.777 9.424 264 HA ARG 36 HA ARG 36 -3.828 1.651 7.827 265 HB2 ARG 36 HB2 ARG 36 -3.098 2.276 10.241 266 HB3 ARG 36 HB1 ARG 36 -1.741 1.190 10.019 267 HG2 ARG 36 HG2 ARG 36 -0.842 3.314 9.555 268 HG3 ARG 36 HG1 ARG 36 -1.144 2.631 7.954 269 HD2 ARG 36 HD2 ARG 36 -3.267 3.901 7.825 270 HD3 ARG 36 HD1 ARG 36 -2.940 4.613 9.411 271 HE ARG 36 HE ARG 36 -1.005 5.001 7.215 272 HH11 ARG 36 HH11 ARG 36 -3.402 6.436 9.328 273 HH12 ARG 36 HH12 ARG 36 -2.952 8.064 8.933 274 HH21 ARG 36 HH21 ARG 36 -0.426 7.147 6.690 275 HH22 ARG 36 HH22 ARG 36 -1.265 8.473 7.430 276 H VAL 37 HN VAL 37 -2.410 1.304 6.100 277 HA VAL 37 HA VAL 37 -0.773 -1.182 6.106 278 HB VAL 37 HB VAL 37 -1.028 -1.347 3.704 279 HG11 VAL 37 HG11 VAL 37 -2.848 -2.294 5.041 280 HG12 VAL 37 HG12 VAL 37 -3.433 -1.731 3.477 281 HG13 VAL 37 HG13 VAL 37 -3.737 -0.771 4.925 282 HG21 VAL 37 HG21 VAL 37 -0.980 1.024 3.073 283 HG22 VAL 37 HG22 VAL 37 -2.582 1.264 3.766 284 HG23 VAL 37 HG23 VAL 37 -2.377 0.228 2.350 285 HA PRO 38 HA PRO 38 3.032 1.212 5.039 286 HB2 PRO 38 HB2 PRO 38 3.295 -0.992 2.960 287 HB3 PRO 38 HB1 PRO 38 4.510 -0.361 4.096 288 HG2 PRO 38 HG2 PRO 38 3.374 -2.663 4.615 289 HG3 PRO 38 HG1 PRO 38 3.572 -1.476 5.928 290 HD2 PRO 38 HD2 PRO 38 1.091 -2.134 4.349 291 HD3 PRO 38 HD1 PRO 38 1.279 -1.875 6.097 292 H ALA 39 HN ALA 39 4.105 2.116 3.027 293 HA ALA 39 HA ALA 39 2.322 3.859 1.762 294 HB1 ALA 39 HB1 ALA 39 4.659 4.403 2.224 295 HB2 ALA 39 HB2 ALA 39 4.288 4.653 0.516 296 HB3 ALA 39 HB3 ALA 39 5.195 3.223 1.023 297 H GLY 40 HN GLY 40 1.726 4.141 -0.425 298 HA2 GLY 40 HA2 GLY 40 1.134 3.744 -2.579 299 HA3 GLY 40 HA1 GLY 40 2.597 2.775 -2.694 300 H ARG 41 HN ARG 41 -0.242 2.147 -0.619 301 HA ARG 41 HA ARG 41 -0.794 -0.317 -2.162 302 HB2 ARG 41 HB2 ARG 41 0.750 -0.754 -0.174 303 HB3 ARG 41 HB1 ARG 41 -0.576 -0.288 0.884 304 HG2 ARG 41 HG2 ARG 41 -0.672 -2.632 0.845 305 HG3 ARG 41 HG1 ARG 41 -1.940 -2.143 -0.277 306 HD2 ARG 41 HD2 ARG 41 0.848 -3.100 -1.039 307 HD3 ARG 41 HD1 ARG 41 -0.634 -4.047 -1.146 308 HE ARG 41 HE ARG 41 -1.256 -1.983 -2.763 309 HH11 ARG 41 HH11 ARG 41 2.033 -3.782 -4.294 310 HH12 ARG 41 HH12 ARG 41 1.663 -3.969 -2.615 311 HH21 ARG 41 HH21 ARG 41 0.672 -2.512 -5.635 312 HH22 ARG 41 HH22 ARG 41 -0.731 -1.734 -4.975 313 H CYS 42 HN CYS 42 -2.001 2.070 0.143 314 HA CYS 42 HA CYS 42 -4.676 1.104 0.239 315 HB2 CYS 42 HB2 CYS 42 -3.372 3.703 0.952 316 HB3 CYS 42 HB1 CYS 42 -5.131 3.684 0.779 317 H ILE 43 HN ILE 43 -2.929 2.810 -2.189 318 HA ILE 43 HA ILE 43 -4.881 4.019 -3.761 319 HB ILE 43 HB ILE 43 -2.503 2.343 -4.697 320 HG12 ILE 43 HG12 ILE 43 -1.816 4.131 -3.125 321 HG13 ILE 43 HG11 ILE 43 -1.202 4.426 -4.743 322 HG21 ILE 43 HG21 ILE 43 -4.032 4.480 -6.219 323 HG22 ILE 43 HG22 ILE 43 -4.019 2.750 -6.562 324 HG23 ILE 43 HG23 ILE 43 -2.545 3.695 -6.770 325 HD11 ILE 43 HD11 ILE 43 -2.944 6.131 -5.086 326 HD12 ILE 43 HD12 ILE 43 -1.927 6.488 -3.694 327 HD13 ILE 43 HD13 ILE 43 -3.546 5.838 -3.452 328 H ASP 44 HN ASP 44 -3.905 0.577 -3.630 329 HA ASP 44 HA ASP 44 -5.793 -0.296 -5.656 330 HB2 ASP 44 HB2 ASP 44 -4.432 -2.175 -3.697 331 HB3 ASP 44 HB1 ASP 44 -4.880 -2.465 -5.375 332 H ILE 45 HN ILE 45 -5.582 -0.441 -2.107 333 HA ILE 45 HA ILE 45 -7.938 -1.917 -1.617 334 HB ILE 45 HB ILE 45 -6.532 0.114 0.172 335 HG12 ILE 45 HG12 ILE 45 -6.373 -2.937 0.010 336 HG13 ILE 45 HG11 ILE 45 -5.084 -1.797 -0.368 337 HG21 ILE 45 HG21 ILE 45 -8.635 -1.940 0.963 338 HG22 ILE 45 HG22 ILE 45 -8.881 -0.195 0.904 339 HG23 ILE 45 HG23 ILE 45 -7.753 -0.879 2.071 340 HD11 ILE 45 HD11 ILE 45 -5.020 -1.155 2.029 341 HD12 ILE 45 HD12 ILE 45 -4.667 -2.857 1.748 342 HD13 ILE 45 HD13 ILE 45 -6.251 -2.383 2.369 343 H GLU 46 HN GLU 46 -7.442 1.471 -2.363 344 HA GLU 46 HA GLU 46 -10.099 2.377 -1.727 345 HB2 GLU 46 HB2 GLU 46 -7.784 3.647 -3.223 346 HB3 GLU 46 HB1 GLU 46 -9.359 4.431 -3.138 347 HG2 GLU 46 HG2 GLU 46 -9.225 4.704 -0.780 348 HG3 GLU 46 HG1 GLU 46 -7.862 3.589 -0.653 349 H LEU 47 HN LEU 47 -8.494 1.113 -4.621 350 HA LEU 47 HA LEU 47 -10.519 1.499 -6.515 351 HB2 LEU 47 HB2 LEU 47 -8.096 -0.003 -6.340 352 HB3 LEU 47 HB1 LEU 47 -9.313 -1.199 -6.739 353 HG LEU 47 HG LEU 47 -8.689 1.308 -8.352 354 HD11 LEU 47 HD11 LEU 47 -7.746 -0.219 -10.021 355 HD12 LEU 47 HD12 LEU 47 -8.049 -1.598 -8.961 356 HD13 LEU 47 HD13 LEU 47 -6.892 -0.351 -8.486 357 HD21 LEU 47 HD21 LEU 47 -10.612 -0.958 -9.006 358 HD22 LEU 47 HD22 LEU 47 -10.174 0.370 -10.086 359 HD23 LEU 47 HD23 LEU 47 -11.055 0.703 -8.598 360 H TYR 48 HN TYR 48 -10.233 -0.785 -3.856 361 HA TYR 48 HA TYR 48 -12.686 -2.222 -4.577 362 HB2 TYR 48 HB2 TYR 48 -11.014 -2.741 -2.087 363 HB3 TYR 48 HB1 TYR 48 -12.093 -3.860 -2.938 364 HD1 TYR 48 HD1 TYR 48 -8.868 -3.800 -2.165 365 HD2 TYR 48 HD2 TYR 48 -11.153 -3.539 -5.770 366 HE1 TYR 48 HE1 TYR 48 -6.934 -4.598 -3.462 367 HE2 TYR 48 HE2 TYR 48 -9.226 -4.338 -7.045 368 HH TYR 48 HH TYR 48 -6.770 -4.391 -6.836 369 H THR 49 HN THR 49 -11.595 0.237 -2.336 370 HA THR 49 HA THR 49 -14.199 0.240 -0.948 371 HB THR 49 HB THR 49 -13.108 1.429 0.924 372 HG1 THR 49 HG1 THR 49 -10.525 0.970 0.018 373 HG21 THR 49 HG21 THR 49 -11.527 -1.049 0.165 374 HG22 THR 49 HG22 THR 49 -13.110 -1.045 0.943 375 HG23 THR 49 HG23 THR 49 -11.718 -0.375 1.789 376 H ASP 50 HN ASP 50 -14.666 1.154 -3.141 377 HA ASP 50 HA ASP 50 -13.798 3.871 -3.718 378 HB2 ASP 50 HB2 ASP 50 -13.946 2.012 -5.418 379 HB3 ASP 50 HB1 ASP 50 -15.701 2.061 -5.267 380 H GLY 51 HN GLY 51 -15.285 3.869 -1.340 381 HA2 GLY 51 HA2 GLY 51 -17.036 5.959 -1.601 382 HA3 GLY 51 HA1 GLY 51 -18.051 4.538 -1.781 383 H ARG 52 HN ARG 52 -17.316 2.792 0.044 384 HA ARG 52 HA ARG 52 -18.683 3.663 2.299 385 HB2 ARG 52 HB2 ARG 52 -16.951 1.198 1.880 386 HB3 ARG 52 HB1 ARG 52 -17.864 1.468 3.361 387 HG2 ARG 52 HG2 ARG 52 -19.966 1.565 2.003 388 HG3 ARG 52 HG1 ARG 52 -19.019 1.158 0.571 389 HD2 ARG 52 HD2 ARG 52 -19.094 -0.628 3.028 390 HD3 ARG 52 HD1 ARG 52 -20.285 -0.756 1.733 391 HE ARG 52 HE ARG 52 -17.446 -0.982 1.015 392 HH11 ARG 52 HH11 ARG 52 -20.021 -4.059 0.659 393 HH12 ARG 52 HH12 ARG 52 -20.515 -2.623 1.493 394 HH21 ARG 52 HH21 ARG 52 -17.911 -4.204 -0.246 395 HH22 ARG 52 HH22 ARG 52 -16.811 -2.871 -0.090 396 H VAL 53 HN VAL 53 -15.181 3.172 1.926 397 HA VAL 53 HA VAL 53 -14.604 5.139 3.983 398 HB VAL 53 HB VAL 53 -14.839 3.137 5.392 399 HG11 VAL 53 HG11 VAL 53 -13.533 1.089 5.061 400 HG12 VAL 53 HG12 VAL 53 -12.813 1.767 3.597 401 HG13 VAL 53 HG13 VAL 53 -14.546 1.419 3.651 402 HG21 VAL 53 HG21 VAL 53 -11.884 3.775 5.022 403 HG22 VAL 53 HG22 VAL 53 -12.602 3.013 6.443 404 HG23 VAL 53 HG23 VAL 53 -13.019 4.676 6.032 405 H GLU 54 HN GLU 54 -12.548 6.088 3.642 406 HA GLU 54 HA GLU 54 -11.103 5.248 1.209 407 HB2 GLU 54 HB2 GLU 54 -11.778 7.609 1.356 408 HB3 GLU 54 HB1 GLU 54 -10.913 7.799 2.876 409 HG2 GLU 54 HG2 GLU 54 -8.777 7.536 1.784 410 HG3 GLU 54 HG1 GLU 54 -9.550 7.068 0.264 411 H CYS 55 HN CYS 55 -9.102 4.385 1.283 412 HA CYS 55 HA CYS 55 -8.270 3.222 3.759 413 HB2 CYS 55 HB2 CYS 55 -8.207 2.047 1.558 414 HB3 CYS 55 HB1 CYS 55 -6.881 3.089 1.058 415 H ARG 56 HN ARG 56 -6.336 3.492 4.879 416 HA ARG 56 HA ARG 56 -4.859 6.020 4.380 417 HB2 ARG 56 HB2 ARG 56 -5.283 4.655 7.083 418 HB3 ARG 56 HB1 ARG 56 -4.589 6.249 6.792 419 HG2 ARG 56 HG2 ARG 56 -7.488 5.410 6.428 420 HG3 ARG 56 HG1 ARG 56 -6.840 6.539 7.622 421 HD2 ARG 56 HD2 ARG 56 -6.247 8.111 5.823 422 HD3 ARG 56 HD1 ARG 56 -6.833 6.967 4.611 423 HE ARG 56 HE ARG 56 -8.906 7.566 6.437 424 HH11 ARG 56 HH11 ARG 56 -8.401 10.059 3.315 425 HH12 ARG 56 HH12 ARG 56 -7.108 9.011 3.802 426 HH21 ARG 56 HH21 ARG 56 -10.618 8.944 5.791 427 HH22 ARG 56 HH22 ARG 56 -10.397 10.020 4.449 428 H GLU 57 HN GLU 57 -2.922 5.557 3.547 429 HA GLU 57 HA GLU 57 -1.402 3.198 4.482 430 HB2 GLU 57 HB2 GLU 57 0.036 3.601 2.453 431 HB3 GLU 57 HB1 GLU 57 -1.637 3.199 2.083 432 HG2 GLU 57 HG2 GLU 57 -2.138 5.562 1.642 433 HG3 GLU 57 HG1 GLU 57 -0.470 5.998 2.045 434 H LEU 58 HN LEU 58 0.899 3.480 4.871 435 HA LEU 58 HA LEU 58 1.466 5.902 6.359 436 HB2 LEU 58 HB2 LEU 58 2.982 3.305 5.956 437 HB3 LEU 58 HB1 LEU 58 3.630 4.654 6.884 438 HG LEU 58 HG LEU 58 1.046 3.193 7.567 439 HD11 LEU 58 HD11 LEU 58 2.290 2.124 9.397 440 HD12 LEU 58 HD12 LEU 58 3.785 2.875 8.829 441 HD13 LEU 58 HD13 LEU 58 2.957 1.684 7.825 442 HD21 LEU 58 HD21 LEU 58 2.629 5.256 9.149 443 HD22 LEU 58 HD22 LEU 58 1.209 4.383 9.732 444 HD23 LEU 58 HD23 LEU 58 1.056 5.506 8.384 445 H ARG 59 HN ARG 59 2.131 7.598 5.247 446 HA ARG 59 HA ARG 59 2.722 7.463 2.499 447 HB2 ARG 59 HB2 ARG 59 3.245 9.869 4.292 448 HB3 ARG 59 HB1 ARG 59 2.966 9.858 2.540 449 HG2 ARG 59 HG2 ARG 59 0.614 9.014 3.031 450 HG3 ARG 59 HG1 ARG 59 0.954 9.275 4.749 451 HD2 ARG 59 HD2 ARG 59 0.793 11.349 2.541 452 HD3 ARG 59 HD1 ARG 59 -0.192 11.232 4.005 453 HE ARG 59 HE ARG 59 2.310 11.537 4.987 454 HH11 ARG 59 HH11 ARG 59 1.303 14.938 3.098 455 HH12 ARG 59 HH12 ARG 59 0.481 13.469 2.677 456 HH21 ARG 59 HH21 ARG 59 2.966 14.909 4.697 457 HH22 ARG 59 HH22 ARG 59 3.393 13.421 5.482 458 HA PRO 60 HA PRO 60 7.061 6.743 2.354 459 HB2 PRO 60 HB2 PRO 60 7.896 8.244 0.211 460 HB3 PRO 60 HB1 PRO 60 6.896 6.782 0.028 461 HG2 PRO 60 HG2 PRO 60 6.042 9.668 0.075 462 HG3 PRO 60 HG1 PRO 60 5.596 8.361 -1.029 463 HD2 PRO 60 HD2 PRO 60 3.948 9.084 1.003 464 HD3 PRO 60 HD1 PRO 60 4.100 7.380 0.469 465 H ASP 61 HN ASP 61 7.666 7.572 4.239 466 HA ASP 61 HA ASP 61 8.090 10.283 4.942 467 HB2 ASP 61 HB2 ASP 61 7.611 8.570 6.627 468 HB3 ASP 61 HB1 ASP 61 9.102 7.717 6.230 469 H VAL 62 HN VAL 62 9.854 11.544 4.899 470 HA VAL 62 HA VAL 62 11.744 12.486 4.142 471 HB VAL 62 HB VAL 62 13.033 9.747 4.659 472 HG11 VAL 62 HG11 VAL 62 14.328 12.505 4.655 473 HG12 VAL 62 HG12 VAL 62 14.563 11.250 3.440 474 HG13 VAL 62 HG13 VAL 62 15.135 10.997 5.089 475 HG21 VAL 62 HG21 VAL 62 12.652 12.061 6.602 476 HG22 VAL 62 HG22 VAL 62 13.522 10.563 6.941 477 HG23 VAL 62 HG23 VAL 62 11.788 10.521 6.638 478 H PHE 63 HN PHE 63 9.888 11.329 2.295 479 HA PHE 63 HA PHE 63 11.487 11.179 -0.144 480 HB2 PHE 63 HB2 PHE 63 11.216 8.784 0.720 481 HB3 PHE 63 HB1 PHE 63 9.477 8.970 0.535 482 HD1 PHE 63 HD1 PHE 63 12.696 8.726 -1.290 483 HD2 PHE 63 HD2 PHE 63 8.436 8.811 -1.691 484 HE1 PHE 63 HE1 PHE 63 12.894 7.971 -3.621 485 HE2 PHE 63 HE2 PHE 63 8.648 8.052 -4.020 486 HZ PHE 63 HZ PHE 63 10.872 7.633 -4.992 487 H GLY 64 HN GLY 64 10.140 11.617 -2.067 488 HA2 GLY 64 HA2 GLY 64 7.641 12.008 -2.675 489 HA3 GLY 64 HA1 GLY 64 7.722 13.222 -1.400 490 H ALA 65 HN ALA 65 10.663 13.536 -2.385 491 HA ALA 65 HA ALA 65 10.202 15.706 -4.205 492 HB1 ALA 65 HB1 ALA 65 12.808 14.411 -3.323 493 HB2 ALA 65 HB2 ALA 65 12.036 15.822 -2.597 494 HB3 ALA 65 HB3 ALA 65 12.670 15.915 -4.239 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -15.740 -0.948 11.607 2 H2 MET 1 HT2 MET 1 -15.387 0.449 10.725 3 H3 MET 1 HT3 MET 1 -14.321 -0.087 11.913 4 HA MET 1 HA MET 1 -13.802 -2.044 10.667 5 HB2 MET 1 HB2 MET 1 -15.834 -0.916 8.708 6 HB3 MET 1 HB1 MET 1 -14.647 -2.118 8.227 7 HG2 MET 1 HG2 MET 1 -15.579 -3.701 9.849 8 HG3 MET 1 HG1 MET 1 -16.782 -2.496 10.335 9 HE1 MET 1 HE1 MET 1 -17.276 -5.579 9.113 10 HE2 MET 1 HE2 MET 1 -18.719 -5.264 8.153 11 HE3 MET 1 HE3 MET 1 -18.567 -4.578 9.771 12 H ASN 2 HN ASN 2 -12.096 -2.066 9.136 13 HA ASN 2 HA ASN 2 -11.062 0.598 8.347 14 HB2 ASN 2 HB2 ASN 2 -8.810 -0.532 8.273 15 HB3 ASN 2 HB1 ASN 2 -9.523 -0.434 9.869 16 HD21 ASN 2 HD21 ASN 2 -10.076 -2.335 10.932 17 HD22 ASN 2 HD22 ASN 2 -9.575 -3.883 10.358 18 H ALA 3 HN ALA 3 -9.975 0.785 6.379 19 HA ALA 3 HA ALA 3 -11.332 0.031 4.129 20 HB1 ALA 3 HB1 ALA 3 -9.795 1.937 4.250 21 HB2 ALA 3 HB2 ALA 3 -9.446 0.923 2.851 22 HB3 ALA 3 HB3 ALA 3 -8.414 0.834 4.281 23 H ILE 4 HN ILE 4 -8.570 -1.599 5.576 24 HA ILE 4 HA ILE 4 -7.862 -3.275 3.403 25 HB ILE 4 HB ILE 4 -7.427 -3.870 6.360 26 HG12 ILE 4 HG12 ILE 4 -5.031 -2.930 5.820 27 HG13 ILE 4 HG11 ILE 4 -5.817 -2.115 4.479 28 HG21 ILE 4 HG21 ILE 4 -7.048 -5.824 4.924 29 HG22 ILE 4 HG22 ILE 4 -5.535 -5.258 5.625 30 HG23 ILE 4 HG23 ILE 4 -5.912 -4.896 3.940 31 HD11 ILE 4 HD11 ILE 4 -6.477 -1.752 7.407 32 HD12 ILE 4 HD12 ILE 4 -7.231 -0.889 6.064 33 HD13 ILE 4 HD13 ILE 4 -5.516 -0.661 6.410 34 H ASP 5 HN ASP 5 -10.021 -3.634 6.178 35 HA ASP 5 HA ASP 5 -10.857 -6.315 5.702 36 HB2 ASP 5 HB2 ASP 5 -11.006 -5.247 7.931 37 HB3 ASP 5 HB1 ASP 5 -12.227 -4.133 7.326 38 H ILE 6 HN ILE 6 -12.097 -3.179 4.710 39 HA ILE 6 HA ILE 6 -14.606 -4.083 3.682 40 HB ILE 6 HB ILE 6 -13.014 -1.569 2.989 41 HG12 ILE 6 HG12 ILE 6 -13.451 -1.559 5.348 42 HG13 ILE 6 HG11 ILE 6 -14.613 -0.461 4.627 43 HG21 ILE 6 HG21 ILE 6 -14.714 -1.988 1.269 44 HG22 ILE 6 HG22 ILE 6 -15.157 -0.587 2.242 45 HG23 ILE 6 HG23 ILE 6 -15.967 -2.133 2.504 46 HD11 ILE 6 HD11 ILE 6 -16.337 -2.235 4.812 47 HD12 ILE 6 HD12 ILE 6 -15.658 -1.743 6.360 48 HD13 ILE 6 HD13 ILE 6 -15.149 -3.259 5.624 49 H ALA 7 HN ALA 7 -11.356 -3.829 2.379 50 HA ALA 7 HA ALA 7 -12.026 -4.471 -0.342 51 HB1 ALA 7 HB1 ALA 7 -9.620 -4.702 -0.670 52 HB2 ALA 7 HB2 ALA 7 -9.354 -4.655 1.081 53 HB3 ALA 7 HB3 ALA 7 -9.986 -3.235 0.244 54 H ILE 8 HN ILE 8 -11.169 -6.361 2.531 55 HA ILE 8 HA ILE 8 -10.903 -8.945 1.385 56 HB ILE 8 HB ILE 8 -12.041 -8.141 4.117 57 HG12 ILE 8 HG12 ILE 8 -9.237 -9.113 3.416 58 HG13 ILE 8 HG11 ILE 8 -9.673 -7.428 3.651 59 HG21 ILE 8 HG21 ILE 8 -11.566 -10.455 4.865 60 HG22 ILE 8 HG22 ILE 8 -11.111 -10.897 3.218 61 HG23 ILE 8 HG23 ILE 8 -12.772 -10.424 3.578 62 HD11 ILE 8 HD11 ILE 8 -8.584 -8.296 5.596 63 HD12 ILE 8 HD12 ILE 8 -9.764 -9.598 5.729 64 HD13 ILE 8 HD13 ILE 8 -10.265 -7.924 5.979 65 H ASN 9 HN ASN 9 -13.697 -7.128 2.566 66 HA ASN 9 HA ASN 9 -15.638 -9.196 2.139 67 HB2 ASN 9 HB2 ASN 9 -15.911 -6.221 2.738 68 HB3 ASN 9 HB1 ASN 9 -17.291 -7.305 2.593 69 HD21 ASN 9 HD21 ASN 9 -14.206 -8.153 4.178 70 HD22 ASN 9 HD22 ASN 9 -14.864 -8.264 5.759 71 H LYS 10 HN LYS 10 -14.382 -6.527 0.239 72 HA LYS 10 HA LYS 10 -16.443 -6.505 -1.765 73 HB2 LYS 10 HB2 LYS 10 -14.917 -4.545 -1.135 74 HB3 LYS 10 HB1 LYS 10 -13.615 -5.327 -2.019 75 HG2 LYS 10 HG2 LYS 10 -16.242 -4.692 -3.405 76 HG3 LYS 10 HG1 LYS 10 -15.032 -3.433 -3.161 77 HD2 LYS 10 HD2 LYS 10 -13.365 -4.826 -4.375 78 HD3 LYS 10 HD1 LYS 10 -14.619 -6.038 -4.668 79 HE2 LYS 10 HE2 LYS 10 -15.928 -4.333 -5.929 80 HE3 LYS 10 HE1 LYS 10 -14.618 -3.175 -5.680 81 HZ1 LYS 10 HZ1 LYS 10 -14.415 -5.743 -7.173 82 HZ2 LYS 10 HZ2 LYS 10 -13.135 -4.673 -6.902 83 HZ3 LYS 10 HZ3 LYS 10 -14.450 -4.193 -7.851 84 H LEU 11 HN LEU 11 -13.104 -7.825 -1.620 85 HA LEU 11 HA LEU 11 -13.331 -9.063 -4.242 86 HB2 LEU 11 HB2 LEU 11 -11.118 -9.398 -2.174 87 HB3 LEU 11 HB1 LEU 11 -11.067 -9.944 -3.838 88 HG LEU 11 HG LEU 11 -10.837 -7.120 -2.776 89 HD11 LEU 11 HD11 LEU 11 -8.834 -7.054 -4.220 90 HD12 LEU 11 HD12 LEU 11 -9.152 -8.710 -4.741 91 HD13 LEU 11 HD13 LEU 11 -8.762 -8.374 -3.056 92 HD21 LEU 11 HD21 LEU 11 -11.476 -7.800 -5.662 93 HD22 LEU 11 HD22 LEU 11 -11.012 -6.211 -5.037 94 HD23 LEU 11 HD23 LEU 11 -12.524 -6.946 -4.525 95 H GLY 12 HN GLY 12 -14.196 -9.961 -1.056 96 HA2 GLY 12 HA2 GLY 12 -15.672 -11.818 -0.764 97 HA3 GLY 12 HA1 GLY 12 -14.772 -12.720 -1.974 98 H SER 13 HN SER 13 -12.104 -12.035 -0.883 99 HA SER 13 HA SER 13 -12.041 -13.258 1.764 100 HB2 SER 13 HB2 SER 13 -10.688 -15.207 1.056 101 HB3 SER 13 HB1 SER 13 -12.255 -15.215 0.248 102 HG SER 13 HG SER 13 -11.281 -15.052 -1.593 103 H VAL 14 HN VAL 14 -9.757 -13.670 2.472 104 HA VAL 14 HA VAL 14 -8.049 -11.380 2.011 105 HB VAL 14 HB VAL 14 -7.981 -13.730 3.958 106 HG11 VAL 14 HG11 VAL 14 -5.619 -13.297 3.403 107 HG12 VAL 14 HG12 VAL 14 -5.979 -12.762 5.041 108 HG13 VAL 14 HG13 VAL 14 -5.839 -11.579 3.739 109 HG21 VAL 14 HG21 VAL 14 -9.532 -11.929 4.474 110 HG22 VAL 14 HG22 VAL 14 -8.240 -10.728 4.307 111 HG23 VAL 14 HG23 VAL 14 -8.199 -11.909 5.634 112 H SER 15 HN SER 15 -8.131 -14.802 1.169 113 HA SER 15 HA SER 15 -5.457 -14.986 0.203 114 HB2 SER 15 HB2 SER 15 -6.384 -17.033 -1.030 115 HB3 SER 15 HB1 SER 15 -6.595 -17.031 0.723 116 HG SER 15 HG SER 15 -8.527 -16.480 -1.282 117 H ALA 16 HN ALA 16 -8.534 -14.010 -1.249 118 HA ALA 16 HA ALA 16 -7.506 -13.593 -3.916 119 HB1 ALA 16 HB1 ALA 16 -10.045 -12.524 -2.626 120 HB2 ALA 16 HB2 ALA 16 -9.901 -14.040 -3.519 121 HB3 ALA 16 HB3 ALA 16 -9.670 -12.501 -4.351 122 H LEU 17 HN LEU 17 -8.045 -11.552 -1.039 123 HA LEU 17 HA LEU 17 -7.504 -9.056 -2.269 124 HB2 LEU 17 HB2 LEU 17 -8.692 -9.206 -0.104 125 HB3 LEU 17 HB1 LEU 17 -7.236 -9.830 0.663 126 HG LEU 17 HG LEU 17 -6.077 -7.714 0.290 127 HD11 LEU 17 HD11 LEU 17 -7.239 -5.711 -0.573 128 HD12 LEU 17 HD12 LEU 17 -8.645 -6.698 -0.980 129 HD13 LEU 17 HD13 LEU 17 -7.103 -6.969 -1.797 130 HD21 LEU 17 HD21 LEU 17 -8.743 -7.255 1.621 131 HD22 LEU 17 HD22 LEU 17 -7.284 -6.277 1.825 132 HD23 LEU 17 HD23 LEU 17 -7.298 -7.957 2.357 133 H ALA 18 HN ALA 18 -5.468 -11.274 -0.439 134 HA ALA 18 HA ALA 18 -3.096 -9.713 -0.429 135 HB1 ALA 18 HB1 ALA 18 -3.599 -11.485 1.211 136 HB2 ALA 18 HB2 ALA 18 -2.036 -11.737 0.434 137 HB3 ALA 18 HB3 ALA 18 -3.428 -12.710 -0.052 138 H ALA 19 HN ALA 19 -4.358 -12.245 -2.570 139 HA ALA 19 HA ALA 19 -2.102 -12.554 -4.257 140 HB1 ALA 19 HB1 ALA 19 -3.695 -13.511 -5.877 141 HB2 ALA 19 HB2 ALA 19 -5.050 -12.880 -4.932 142 HB3 ALA 19 HB3 ALA 19 -3.996 -14.117 -4.248 143 H ALA 20 HN ALA 20 -4.825 -10.295 -4.294 144 HA ALA 20 HA ALA 20 -4.216 -8.998 -6.773 145 HB1 ALA 20 HB1 ALA 20 -5.951 -8.049 -4.467 146 HB2 ALA 20 HB2 ALA 20 -6.486 -9.029 -5.834 147 HB3 ALA 20 HB3 ALA 20 -5.937 -7.373 -6.099 148 H LEU 21 HN LEU 21 -3.388 -8.393 -3.399 149 HA LEU 21 HA LEU 21 -2.158 -5.799 -3.908 150 HB2 LEU 21 HB2 LEU 21 -2.423 -7.483 -1.387 151 HB3 LEU 21 HB1 LEU 21 -1.644 -5.908 -1.423 152 HG LEU 21 HG LEU 21 -4.570 -6.415 -2.103 153 HD11 LEU 21 HD11 LEU 21 -3.324 -5.259 0.404 154 HD12 LEU 21 HD12 LEU 21 -4.282 -6.737 0.247 155 HD13 LEU 21 HD13 LEU 21 -5.048 -5.170 0.004 156 HD21 LEU 21 HD21 LEU 21 -3.049 -3.815 -1.850 157 HD22 LEU 21 HD22 LEU 21 -4.795 -3.977 -2.090 158 HD23 LEU 21 HD23 LEU 21 -3.680 -4.529 -3.335 159 H GLY 22 HN GLY 22 -1.187 -9.044 -4.043 160 HA2 GLY 22 HA2 GLY 22 0.830 -10.049 -4.506 161 HA3 GLY 22 HA1 GLY 22 1.515 -8.446 -4.739 162 H VAL 23 HN VAL 23 0.030 -9.913 -1.889 163 HA VAL 23 HA VAL 23 2.540 -9.920 -0.354 164 HB VAL 23 HB VAL 23 1.439 -8.839 1.597 165 HG11 VAL 23 HG11 VAL 23 2.686 -7.394 0.017 166 HG12 VAL 23 HG12 VAL 23 1.374 -6.527 0.804 167 HG13 VAL 23 HG13 VAL 23 1.191 -7.068 -0.865 168 HG21 VAL 23 HG21 VAL 23 -0.967 -8.397 -0.227 169 HG22 VAL 23 HG22 VAL 23 -0.786 -7.738 1.401 170 HG23 VAL 23 HG23 VAL 23 -0.909 -9.480 1.168 171 H ASN 24 HN ASN 24 2.008 -10.966 1.905 172 HA ASN 24 HA ASN 24 0.681 -13.506 1.481 173 HB2 ASN 24 HB2 ASN 24 2.137 -12.290 3.849 174 HB3 ASN 24 HB1 ASN 24 1.251 -13.801 4.003 175 HD21 ASN 24 HD21 ASN 24 2.839 -15.194 4.307 176 HD22 ASN 24 HD22 ASN 24 4.142 -15.491 3.205 177 H GLN 25 HN GLN 25 -0.820 -14.339 3.102 178 HA GLN 25 HA GLN 25 -3.140 -12.674 3.449 179 HB2 GLN 25 HB2 GLN 25 -2.554 -15.516 4.418 180 HB3 GLN 25 HB1 GLN 25 -4.104 -14.715 4.616 181 HG2 GLN 25 HG2 GLN 25 -4.377 -16.126 2.753 182 HG3 GLN 25 HG1 GLN 25 -4.179 -14.512 2.069 183 HE21 GLN 25 HE21 GLN 25 -2.272 -14.067 0.869 184 HE22 GLN 25 HE22 GLN 25 -1.234 -15.323 0.308 185 H SER 26 HN SER 26 -0.431 -13.644 5.434 186 HA SER 26 HA SER 26 -1.471 -12.808 7.978 187 HB2 SER 26 HB2 SER 26 0.401 -14.430 7.750 188 HB3 SER 26 HB1 SER 26 1.423 -13.165 7.073 189 HG SER 26 HG SER 26 1.318 -13.766 9.550 190 H ALA 27 HN ALA 27 0.210 -11.200 5.336 191 HA ALA 27 HA ALA 27 0.895 -8.760 6.613 192 HB1 ALA 27 HB1 ALA 27 0.291 -9.268 3.675 193 HB2 ALA 27 HB2 ALA 27 1.866 -9.437 4.453 194 HB3 ALA 27 HB3 ALA 27 1.109 -7.847 4.330 195 H ILE 28 HN ILE 28 -1.965 -9.873 4.866 196 HA ILE 28 HA ILE 28 -3.460 -7.459 4.894 197 HB ILE 28 HB ILE 28 -4.504 -10.337 4.864 198 HG12 ILE 28 HG12 ILE 28 -2.907 -9.972 3.028 199 HG13 ILE 28 HG11 ILE 28 -4.543 -10.118 2.397 200 HG21 ILE 28 HG21 ILE 28 -6.278 -8.712 5.366 201 HG22 ILE 28 HG22 ILE 28 -6.494 -9.401 3.760 202 HG23 ILE 28 HG23 ILE 28 -5.841 -7.771 3.934 203 HD11 ILE 28 HD11 ILE 28 -4.651 -7.674 2.167 204 HD12 ILE 28 HD12 ILE 28 -3.336 -8.394 1.242 205 HD13 ILE 28 HD13 ILE 28 -2.989 -7.560 2.756 206 H SER 29 HN SER 29 -3.435 -10.284 7.039 207 HA SER 29 HA SER 29 -5.366 -9.510 8.913 208 HB2 SER 29 HB2 SER 29 -4.445 -11.790 8.756 209 HB3 SER 29 HB1 SER 29 -2.867 -11.217 9.288 210 HG SER 29 HG SER 29 -3.564 -11.609 11.216 211 H GLN 30 HN GLN 30 -1.928 -8.780 8.693 212 HA GLN 30 HA GLN 30 -1.533 -7.516 11.203 213 HB2 GLN 30 HB2 GLN 30 0.204 -8.516 9.606 214 HB3 GLN 30 HB1 GLN 30 0.028 -7.088 8.602 215 HG2 GLN 30 HG2 GLN 30 0.778 -6.723 11.491 216 HG3 GLN 30 HG1 GLN 30 1.992 -7.354 10.387 217 HE21 GLN 30 HE21 GLN 30 3.298 -5.533 10.679 218 HE22 GLN 30 HE22 GLN 30 2.929 -3.999 9.972 219 H TRP 31 HN TRP 31 -2.043 -6.203 7.921 220 HA TRP 31 HA TRP 31 -2.019 -3.463 8.590 221 HB2 TRP 31 HB2 TRP 31 -3.322 -4.860 6.223 222 HB3 TRP 31 HB1 TRP 31 -3.073 -3.120 6.353 223 HD1 TRP 31 HD1 TRP 31 0.080 -3.806 7.587 224 HE1 TRP 31 HE1 TRP 31 1.854 -4.204 5.762 225 HE3 TRP 31 HE3 TRP 31 -3.015 -4.863 3.659 226 HZ2 TRP 31 HZ2 TRP 31 1.920 -4.871 3.018 227 HZ3 TRP 31 HZ3 TRP 31 -2.029 -5.351 1.479 228 HH2 TRP 31 HH2 TRP 31 0.378 -5.350 1.164 229 H ARG 32 HN ARG 32 -4.606 -5.829 8.394 230 HA ARG 32 HA ARG 32 -6.801 -4.030 8.571 231 HB2 ARG 32 HB2 ARG 32 -7.162 -6.263 7.653 232 HB3 ARG 32 HB1 ARG 32 -6.598 -7.030 9.138 233 HG2 ARG 32 HG2 ARG 32 -8.537 -6.216 10.358 234 HG3 ARG 32 HG1 ARG 32 -9.082 -5.278 8.967 235 HD2 ARG 32 HD2 ARG 32 -10.394 -7.318 9.208 236 HD3 ARG 32 HD1 ARG 32 -9.456 -7.364 7.716 237 HE ARG 32 HE ARG 32 -7.967 -8.667 9.699 238 HH11 ARG 32 HH11 ARG 32 -10.944 -10.854 8.061 239 HH12 ARG 32 HH12 ARG 32 -10.988 -9.120 7.954 240 HH21 ARG 32 HH21 ARG 32 -7.897 -10.955 9.864 241 HH22 ARG 32 HH22 ARG 32 -9.166 -11.904 9.160 242 H ALA 33 HN ALA 33 -4.924 -5.913 10.899 243 HA ALA 33 HA ALA 33 -6.499 -5.295 13.168 244 HB1 ALA 33 HB1 ALA 33 -5.015 -7.245 13.098 245 HB2 ALA 33 HB2 ALA 33 -4.625 -6.217 14.478 246 HB3 ALA 33 HB3 ALA 33 -3.601 -6.191 13.039 247 H ARG 34 HN ARG 34 -3.879 -3.643 11.528 248 HA ARG 34 HA ARG 34 -3.412 -1.666 13.592 249 HB2 ARG 34 HB2 ARG 34 -1.648 -2.414 11.952 250 HB3 ARG 34 HB1 ARG 34 -2.598 -1.729 10.641 251 HG2 ARG 34 HG2 ARG 34 -1.053 -0.063 11.012 252 HG3 ARG 34 HG1 ARG 34 -2.395 0.509 11.986 253 HD2 ARG 34 HD2 ARG 34 0.131 -0.864 12.960 254 HD3 ARG 34 HD1 ARG 34 -0.354 0.811 13.232 255 HE ARG 34 HE ARG 34 -2.124 0.007 14.693 256 HH11 ARG 34 HH11 ARG 34 0.052 -3.330 15.334 257 HH12 ARG 34 HH12 ARG 34 0.381 -2.352 13.942 258 HH21 ARG 34 HH21 ARG 34 -1.629 -2.742 16.790 259 HH22 ARG 34 HH22 ARG 34 -2.576 -1.314 16.497 260 H GLY 35 HN GLY 35 -5.339 -2.048 10.719 261 HA2 GLY 35 HA2 GLY 35 -7.052 -0.828 9.787 262 HA3 GLY 35 HA1 GLY 35 -6.931 0.328 11.111 263 H ARG 36 HN ARG 36 -4.214 -0.655 9.096 264 HA ARG 36 HA ARG 36 -4.075 1.768 7.521 265 HB2 ARG 36 HB2 ARG 36 -3.460 2.387 9.972 266 HB3 ARG 36 HB1 ARG 36 -2.007 1.436 9.743 267 HG2 ARG 36 HG2 ARG 36 -1.266 2.958 7.969 268 HG3 ARG 36 HG1 ARG 36 -2.773 3.876 8.101 269 HD2 ARG 36 HD2 ARG 36 -0.600 3.599 10.209 270 HD3 ARG 36 HD1 ARG 36 -1.065 5.061 9.337 271 HE ARG 36 HE ARG 36 -3.256 4.906 10.522 272 HH11 ARG 36 HH11 ARG 36 -0.437 3.396 11.994 273 HH12 ARG 36 HH12 ARG 36 -1.074 3.486 13.601 274 HH21 ARG 36 HH21 ARG 36 -4.109 4.980 12.654 275 HH22 ARG 36 HH22 ARG 36 -3.153 4.382 13.977 276 H VAL 37 HN VAL 37 -2.446 1.603 5.946 277 HA VAL 37 HA VAL 37 -0.879 -0.928 5.835 278 HB VAL 37 HB VAL 37 -1.003 -0.758 3.343 279 HG11 VAL 37 HG11 VAL 37 -3.349 -1.450 3.081 280 HG12 VAL 37 HG12 VAL 37 -3.721 -0.825 4.689 281 HG13 VAL 37 HG13 VAL 37 -2.610 -2.182 4.502 282 HG21 VAL 37 HG21 VAL 37 -2.942 1.535 3.828 283 HG22 VAL 37 HG22 VAL 37 -2.609 0.780 2.266 284 HG23 VAL 37 HG23 VAL 37 -1.335 1.661 3.106 285 HA PRO 38 HA PRO 38 2.956 1.474 5.118 286 HB2 PRO 38 HB2 PRO 38 3.474 -0.454 2.837 287 HB3 PRO 38 HB1 PRO 38 4.503 -0.040 4.226 288 HG2 PRO 38 HG2 PRO 38 3.250 -2.366 4.154 289 HG3 PRO 38 HG1 PRO 38 3.354 -1.452 5.680 290 HD2 PRO 38 HD2 PRO 38 1.031 -1.677 3.766 291 HD3 PRO 38 HD1 PRO 38 1.045 -1.754 5.543 292 H ALA 39 HN ALA 39 4.143 2.578 3.309 293 HA ALA 39 HA ALA 39 2.392 4.371 2.060 294 HB1 ALA 39 HB1 ALA 39 4.649 4.980 2.783 295 HB2 ALA 39 HB2 ALA 39 4.419 5.357 1.076 296 HB3 ALA 39 HB3 ALA 39 5.351 3.934 1.546 297 H GLY 40 HN GLY 40 1.165 3.946 0.284 298 HA2 GLY 40 HA2 GLY 40 1.172 4.040 -2.125 299 HA3 GLY 40 HA1 GLY 40 2.454 2.841 -2.147 300 H ARG 41 HN ARG 41 0.664 1.467 0.087 301 HA ARG 41 HA ARG 41 -0.479 -0.362 -1.855 302 HB2 ARG 41 HB2 ARG 41 0.805 -1.125 0.188 303 HB3 ARG 41 HB1 ARG 41 -0.540 -0.590 1.185 304 HG2 ARG 41 HG2 ARG 41 -0.884 -2.899 0.974 305 HG3 ARG 41 HG1 ARG 41 -2.000 -2.226 -0.208 306 HD2 ARG 41 HD2 ARG 41 0.721 -3.458 -0.774 307 HD3 ARG 41 HD1 ARG 41 -0.847 -4.195 -1.098 308 HE ARG 41 HE ARG 41 -1.061 -2.017 -2.621 309 HH11 ARG 41 HH11 ARG 41 2.261 -3.942 -3.884 310 HH12 ARG 41 HH12 ARG 41 1.683 -4.226 -2.275 311 HH21 ARG 41 HH21 ARG 41 1.186 -2.511 -5.265 312 HH22 ARG 41 HH22 ARG 41 -0.238 -1.668 -4.741 313 H CYS 42 HN CYS 42 -1.715 2.137 0.215 314 HA CYS 42 HA CYS 42 -4.402 1.296 0.514 315 HB2 CYS 42 HB2 CYS 42 -3.695 3.090 1.897 316 HB3 CYS 42 HB1 CYS 42 -3.120 4.034 0.531 317 H ILE 43 HN ILE 43 -2.702 2.746 -2.170 318 HA ILE 43 HA ILE 43 -4.722 3.840 -3.742 319 HB ILE 43 HB ILE 43 -2.190 2.325 -4.539 320 HG12 ILE 43 HG12 ILE 43 -1.763 4.336 -3.184 321 HG13 ILE 43 HG11 ILE 43 -1.187 4.571 -4.828 322 HG21 ILE 43 HG21 ILE 43 -3.905 4.058 -6.352 323 HG22 ILE 43 HG22 ILE 43 -3.663 2.314 -6.477 324 HG23 ILE 43 HG23 ILE 43 -2.311 3.409 -6.753 325 HD11 ILE 43 HD11 ILE 43 -3.183 5.937 -5.311 326 HD12 ILE 43 HD12 ILE 43 -2.221 6.585 -3.985 327 HD13 ILE 43 HD13 ILE 43 -3.720 5.722 -3.642 328 H ASP 44 HN ASP 44 -3.630 0.462 -3.532 329 HA ASP 44 HA ASP 44 -5.345 -0.559 -5.613 330 HB2 ASP 44 HB2 ASP 44 -3.974 -2.184 -3.426 331 HB3 ASP 44 HB1 ASP 44 -4.431 -2.719 -5.040 332 H ILE 45 HN ILE 45 -5.321 -0.711 -2.072 333 HA ILE 45 HA ILE 45 -7.739 -2.105 -1.693 334 HB ILE 45 HB ILE 45 -6.201 -0.223 0.161 335 HG12 ILE 45 HG12 ILE 45 -6.370 -3.278 -0.032 336 HG13 ILE 45 HG11 ILE 45 -4.970 -2.274 -0.391 337 HG21 ILE 45 HG21 ILE 45 -8.516 -2.033 0.930 338 HG22 ILE 45 HG22 ILE 45 -8.566 -0.270 0.874 339 HG23 ILE 45 HG23 ILE 45 -7.524 -1.081 2.039 340 HD11 ILE 45 HD11 ILE 45 -4.650 -3.386 1.704 341 HD12 ILE 45 HD12 ILE 45 -6.184 -2.784 2.333 342 HD13 ILE 45 HD13 ILE 45 -4.853 -1.662 2.013 343 H GLU 46 HN GLU 46 -7.094 1.232 -2.458 344 HA GLU 46 HA GLU 46 -9.590 2.387 -1.673 345 HB2 GLU 46 HB2 GLU 46 -7.389 3.604 -1.967 346 HB3 GLU 46 HB1 GLU 46 -7.568 3.448 -3.704 347 HG2 GLU 46 HG2 GLU 46 -9.635 4.847 -2.003 348 HG3 GLU 46 HG1 GLU 46 -8.197 5.684 -2.566 349 H LEU 47 HN LEU 47 -8.335 0.928 -4.663 350 HA LEU 47 HA LEU 47 -10.486 1.267 -6.419 351 HB2 LEU 47 HB2 LEU 47 -8.781 -1.208 -5.952 352 HB3 LEU 47 HB1 LEU 47 -9.889 -1.056 -7.300 353 HG LEU 47 HG LEU 47 -7.590 0.896 -6.923 354 HD11 LEU 47 HD11 LEU 47 -6.625 -1.368 -6.983 355 HD12 LEU 47 HD12 LEU 47 -6.247 -0.474 -8.450 356 HD13 LEU 47 HD13 LEU 47 -7.500 -1.721 -8.476 357 HD21 LEU 47 HD21 LEU 47 -9.191 0.048 -9.364 358 HD22 LEU 47 HD22 LEU 47 -7.879 1.234 -9.345 359 HD23 LEU 47 HD23 LEU 47 -9.376 1.567 -8.480 360 H TYR 48 HN TYR 48 -10.028 -1.079 -3.792 361 HA TYR 48 HA TYR 48 -12.592 -2.409 -4.348 362 HB2 TYR 48 HB2 TYR 48 -10.815 -3.116 -1.991 363 HB3 TYR 48 HB1 TYR 48 -11.861 -4.170 -2.952 364 HD1 TYR 48 HD1 TYR 48 -8.676 -4.185 -2.129 365 HD2 TYR 48 HD2 TYR 48 -10.860 -3.494 -5.737 366 HE1 TYR 48 HE1 TYR 48 -6.705 -4.830 -3.454 367 HE2 TYR 48 HE2 TYR 48 -8.889 -4.124 -7.054 368 HH TYR 48 HH TYR 48 -6.439 -4.227 -6.776 369 H THR 49 HN THR 49 -11.550 0.191 -2.405 370 HA THR 49 HA THR 49 -13.965 0.016 -0.675 371 HB THR 49 HB THR 49 -12.808 1.542 0.888 372 HG1 THR 49 HG1 THR 49 -11.463 2.590 -0.715 373 HG21 THR 49 HG21 THR 49 -11.049 -0.829 0.159 374 HG22 THR 49 HG22 THR 49 -12.468 -0.887 1.204 375 HG23 THR 49 HG23 THR 49 -11.050 0.030 1.703 376 H ASP 50 HN ASP 50 -14.490 0.710 -3.121 377 HA ASP 50 HA ASP 50 -13.987 2.832 -4.557 378 HB2 ASP 50 HB2 ASP 50 -16.803 1.856 -3.942 379 HB3 ASP 50 HB1 ASP 50 -16.397 2.879 -5.312 380 H GLY 51 HN GLY 51 -16.469 3.188 -1.988 381 HA2 GLY 51 HA2 GLY 51 -15.469 5.796 -1.214 382 HA3 GLY 51 HA1 GLY 51 -17.031 5.852 -2.029 383 H ARG 52 HN ARG 52 -15.907 3.253 0.036 384 HA ARG 52 HA ARG 52 -18.382 3.418 1.612 385 HB2 ARG 52 HB2 ARG 52 -16.291 1.198 1.430 386 HB3 ARG 52 HB1 ARG 52 -17.868 1.082 2.217 387 HG2 ARG 52 HG2 ARG 52 -18.986 1.427 0.059 388 HG3 ARG 52 HG1 ARG 52 -17.417 1.580 -0.732 389 HD2 ARG 52 HD2 ARG 52 -16.907 -0.780 -0.066 390 HD3 ARG 52 HD1 ARG 52 -18.550 -0.901 0.585 391 HE ARG 52 HE ARG 52 -19.427 -0.583 -1.622 392 HH11 ARG 52 HH11 ARG 52 -15.906 -1.711 -3.199 393 HH12 ARG 52 HH12 ARG 52 -15.970 -1.237 -1.535 394 HH21 ARG 52 HH21 ARG 52 -17.780 -1.628 -4.487 395 HH22 ARG 52 HH22 ARG 52 -19.285 -1.082 -3.821 396 H VAL 53 HN VAL 53 -14.924 3.739 1.962 397 HA VAL 53 HA VAL 53 -15.108 4.480 4.774 398 HB VAL 53 HB VAL 53 -14.933 1.988 4.834 399 HG11 VAL 53 HG11 VAL 53 -13.769 1.631 2.728 400 HG12 VAL 53 HG12 VAL 53 -12.919 0.837 4.049 401 HG13 VAL 53 HG13 VAL 53 -12.294 2.347 3.389 402 HG21 VAL 53 HG21 VAL 53 -13.945 3.243 6.707 403 HG22 VAL 53 HG22 VAL 53 -12.399 3.324 5.862 404 HG23 VAL 53 HG23 VAL 53 -13.037 1.765 6.393 405 H GLU 54 HN GLU 54 -13.140 5.484 5.535 406 HA GLU 54 HA GLU 54 -11.550 6.791 3.515 407 HB2 GLU 54 HB2 GLU 54 -12.240 7.960 5.583 408 HB3 GLU 54 HB1 GLU 54 -11.323 6.819 6.557 409 HG2 GLU 54 HG2 GLU 54 -10.165 8.979 6.316 410 HG3 GLU 54 HG1 GLU 54 -9.231 7.645 5.652 411 H CYS 55 HN CYS 55 -9.975 5.722 2.504 412 HA CYS 55 HA CYS 55 -8.506 3.532 3.770 413 HB2 CYS 55 HB2 CYS 55 -9.227 3.203 1.458 414 HB3 CYS 55 HB1 CYS 55 -8.384 4.663 0.946 415 H ARG 56 HN ARG 56 -6.653 3.885 4.869 416 HA ARG 56 HA ARG 56 -5.042 6.301 4.250 417 HB2 ARG 56 HB2 ARG 56 -4.370 6.372 6.645 418 HB3 ARG 56 HB1 ARG 56 -6.067 6.696 6.375 419 HG2 ARG 56 HG2 ARG 56 -5.325 3.877 7.084 420 HG3 ARG 56 HG1 ARG 56 -5.199 5.092 8.354 421 HD2 ARG 56 HD2 ARG 56 -7.698 4.505 6.726 422 HD3 ARG 56 HD1 ARG 56 -7.390 3.971 8.383 423 HE ARG 56 HE ARG 56 -7.084 6.736 8.348 424 HH11 ARG 56 HH11 ARG 56 -10.936 5.572 8.398 425 HH12 ARG 56 HH12 ARG 56 -9.727 4.460 7.855 426 HH21 ARG 56 HH21 ARG 56 -8.694 8.193 9.003 427 HH22 ARG 56 HH22 ARG 56 -10.349 7.689 9.050 428 H GLU 57 HN GLU 57 -2.945 6.113 4.041 429 HA GLU 57 HA GLU 57 -1.534 3.599 4.709 430 HB2 GLU 57 HB2 GLU 57 0.008 4.128 2.771 431 HB3 GLU 57 HB1 GLU 57 -1.619 3.682 2.282 432 HG2 GLU 57 HG2 GLU 57 -2.171 6.026 1.873 433 HG3 GLU 57 HG1 GLU 57 -0.586 6.526 2.455 434 H LEU 58 HN LEU 58 0.782 3.962 5.059 435 HA LEU 58 HA LEU 58 1.336 6.282 6.684 436 HB2 LEU 58 HB2 LEU 58 2.936 3.809 5.946 437 HB3 LEU 58 HB1 LEU 58 3.565 5.064 7.007 438 HG LEU 58 HG LEU 58 0.933 3.702 7.652 439 HD11 LEU 58 HD11 LEU 58 2.067 2.091 9.068 440 HD12 LEU 58 HD12 LEU 58 3.645 2.667 8.508 441 HD13 LEU 58 HD13 LEU 58 2.533 1.884 7.381 442 HD21 LEU 58 HD21 LEU 58 1.443 5.745 8.865 443 HD22 LEU 58 HD22 LEU 58 2.997 5.088 9.382 444 HD23 LEU 58 HD23 LEU 58 1.493 4.358 9.949 445 H ARG 59 HN ARG 59 3.118 7.740 6.318 446 HA ARG 59 HA ARG 59 3.424 8.689 3.684 447 HB2 ARG 59 HB2 ARG 59 5.019 10.291 4.535 448 HB3 ARG 59 HB1 ARG 59 3.721 10.131 5.711 449 HG2 ARG 59 HG2 ARG 59 6.409 8.755 5.984 450 HG3 ARG 59 HG1 ARG 59 6.055 10.335 6.676 451 HD2 ARG 59 HD2 ARG 59 4.255 9.308 8.047 452 HD3 ARG 59 HD1 ARG 59 4.650 7.732 7.353 453 HE ARG 59 HE ARG 59 6.994 8.772 8.460 454 HH11 ARG 59 HH11 ARG 59 4.494 7.098 11.141 455 HH12 ARG 59 HH12 ARG 59 3.867 7.605 9.606 456 HH21 ARG 59 HH21 ARG 59 7.783 8.101 10.479 457 HH22 ARG 59 HH22 ARG 59 6.712 7.382 11.633 458 HA PRO 60 HA PRO 60 6.654 6.324 1.783 459 HB2 PRO 60 HB2 PRO 60 8.449 8.216 0.801 460 HB3 PRO 60 HB1 PRO 60 6.893 7.819 0.041 461 HG2 PRO 60 HG2 PRO 60 7.559 10.075 1.893 462 HG3 PRO 60 HG1 PRO 60 6.620 10.065 0.395 463 HD2 PRO 60 HD2 PRO 60 5.374 10.098 2.767 464 HD3 PRO 60 HD1 PRO 60 4.726 9.143 1.403 465 H ASP 61 HN ASP 61 7.809 5.163 3.036 466 HA ASP 61 HA ASP 61 9.490 5.985 5.204 467 HB2 ASP 61 HB2 ASP 61 8.364 3.844 5.357 468 HB3 ASP 61 HB1 ASP 61 9.084 3.287 3.852 469 H VAL 62 HN VAL 62 10.708 3.747 2.726 470 HA VAL 62 HA VAL 62 12.937 5.593 2.084 471 HB VAL 62 HB VAL 62 14.111 3.556 1.176 472 HG11 VAL 62 HG11 VAL 62 14.654 4.386 3.419 473 HG12 VAL 62 HG12 VAL 62 14.772 2.628 3.368 474 HG13 VAL 62 HG13 VAL 62 13.372 3.397 4.120 475 HG21 VAL 62 HG21 VAL 62 12.163 2.117 0.751 476 HG22 VAL 62 HG22 VAL 62 11.833 2.010 2.481 477 HG23 VAL 62 HG23 VAL 62 13.306 1.296 1.817 478 H PHE 63 HN PHE 63 10.095 5.421 1.104 479 HA PHE 63 HA PHE 63 10.430 5.033 -1.790 480 HB2 PHE 63 HB2 PHE 63 7.938 5.880 -0.226 481 HB3 PHE 63 HB1 PHE 63 7.998 5.352 -1.901 482 HD1 PHE 63 HD1 PHE 63 8.203 4.246 1.634 483 HD2 PHE 63 HD2 PHE 63 8.029 2.982 -2.450 484 HE1 PHE 63 HE1 PHE 63 7.743 1.942 2.361 485 HE2 PHE 63 HE2 PHE 63 7.573 0.685 -1.711 486 HZ PHE 63 HZ PHE 63 7.434 0.160 0.690 487 H GLY 64 HN GLY 64 9.112 6.915 -3.006 488 HA2 GLY 64 HA2 GLY 64 8.683 9.459 -2.323 489 HA3 GLY 64 HA1 GLY 64 10.443 9.450 -2.390 490 H ALA 65 HN ALA 65 10.044 7.303 -4.569 491 HA ALA 65 HA ALA 65 10.523 8.834 -6.817 492 HB1 ALA 65 HB1 ALA 65 11.165 6.473 -6.629 493 HB2 ALA 65 HB2 ALA 65 10.253 6.756 -8.107 494 HB3 ALA 65 HB3 ALA 65 9.466 5.981 -6.733 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -15.703 -1.574 11.588 2 H2 MET 1 HT2 MET 1 -15.501 -0.172 10.662 3 H3 MET 1 HT3 MET 1 -14.340 -0.598 11.806 4 HA MET 1 HA MET 1 -13.745 -2.548 10.579 5 HB2 MET 1 HB2 MET 1 -15.849 -1.566 8.591 6 HB3 MET 1 HB1 MET 1 -14.685 -2.841 8.241 7 HG2 MET 1 HG2 MET 1 -15.644 -4.223 10.036 8 HG3 MET 1 HG1 MET 1 -16.811 -2.948 10.400 9 HE1 MET 1 HE1 MET 1 -19.089 -2.978 7.195 10 HE2 MET 1 HE2 MET 1 -17.739 -1.897 7.532 11 HE3 MET 1 HE3 MET 1 -18.874 -2.317 8.816 12 H ASN 2 HN ASN 2 -11.930 -2.343 9.270 13 HA ASN 2 HA ASN 2 -11.094 0.376 8.544 14 HB2 ASN 2 HB2 ASN 2 -9.603 -2.275 8.388 15 HB3 ASN 2 HB1 ASN 2 -8.892 -0.691 8.096 16 HD21 ASN 2 HD21 ASN 2 -8.404 -2.832 10.179 17 HD22 ASN 2 HD22 ASN 2 -8.457 -1.995 11.685 18 H ALA 3 HN ALA 3 -10.244 0.830 6.440 19 HA ALA 3 HA ALA 3 -11.727 0.106 4.221 20 HB1 ALA 3 HB1 ALA 3 -10.415 2.171 4.366 21 HB2 ALA 3 HB2 ALA 3 -10.005 1.272 2.902 22 HB3 ALA 3 HB3 ALA 3 -8.914 1.247 4.295 23 H ILE 4 HN ILE 4 -8.692 -1.170 5.415 24 HA ILE 4 HA ILE 4 -8.059 -2.908 3.284 25 HB ILE 4 HB ILE 4 -7.383 -3.469 6.198 26 HG12 ILE 4 HG12 ILE 4 -5.084 -2.381 5.496 27 HG13 ILE 4 HG11 ILE 4 -6.036 -1.573 4.262 28 HG21 ILE 4 HG21 ILE 4 -5.462 -4.746 5.308 29 HG22 ILE 4 HG22 ILE 4 -5.977 -4.377 3.660 30 HG23 ILE 4 HG23 ILE 4 -6.992 -5.382 4.697 31 HD11 ILE 4 HD11 ILE 4 -5.662 -0.168 6.197 32 HD12 ILE 4 HD12 ILE 4 -6.445 -1.354 7.244 33 HD13 ILE 4 HD13 ILE 4 -7.380 -0.510 6.004 34 H ASP 5 HN ASP 5 -10.003 -3.317 6.231 35 HA ASP 5 HA ASP 5 -10.680 -6.061 5.985 36 HB2 ASP 5 HB2 ASP 5 -10.871 -4.537 8.049 37 HB3 ASP 5 HB1 ASP 5 -12.360 -3.921 7.355 38 H ILE 6 HN ILE 6 -12.242 -3.114 4.849 39 HA ILE 6 HA ILE 6 -14.632 -4.288 3.842 40 HB ILE 6 HB ILE 6 -13.239 -1.664 3.142 41 HG12 ILE 6 HG12 ILE 6 -14.033 -1.815 5.487 42 HG13 ILE 6 HG11 ILE 6 -14.934 -0.608 4.584 43 HG21 ILE 6 HG21 ILE 6 -15.387 -0.917 2.124 44 HG22 ILE 6 HG22 ILE 6 -16.037 -2.548 2.319 45 HG23 ILE 6 HG23 ILE 6 -14.665 -2.268 1.246 46 HD11 ILE 6 HD11 ILE 6 -16.388 -1.858 6.057 47 HD12 ILE 6 HD12 ILE 6 -15.901 -3.376 5.305 48 HD13 ILE 6 HD13 ILE 6 -16.812 -2.182 4.376 49 H ALA 7 HN ALA 7 -11.461 -3.615 2.442 50 HA ALA 7 HA ALA 7 -12.031 -4.402 -0.239 51 HB1 ALA 7 HB1 ALA 7 -9.347 -4.314 1.166 52 HB2 ALA 7 HB2 ALA 7 -10.120 -2.953 0.349 53 HB3 ALA 7 HB3 ALA 7 -9.621 -4.371 -0.588 54 H ILE 8 HN ILE 8 -10.918 -6.156 2.615 55 HA ILE 8 HA ILE 8 -10.313 -8.674 1.533 56 HB ILE 8 HB ILE 8 -11.599 -7.926 4.194 57 HG12 ILE 8 HG12 ILE 8 -8.731 -8.759 3.593 58 HG13 ILE 8 HG11 ILE 8 -9.261 -7.092 3.736 59 HG21 ILE 8 HG21 ILE 8 -11.016 -10.183 5.035 60 HG22 ILE 8 HG22 ILE 8 -10.507 -10.651 3.411 61 HG23 ILE 8 HG23 ILE 8 -12.197 -10.252 3.725 62 HD11 ILE 8 HD11 ILE 8 -9.238 -9.167 5.905 63 HD12 ILE 8 HD12 ILE 8 -9.888 -7.536 6.082 64 HD13 ILE 8 HD13 ILE 8 -8.174 -7.772 5.739 65 H ASN 9 HN ASN 9 -13.382 -7.434 2.791 66 HA ASN 9 HA ASN 9 -14.935 -9.716 2.024 67 HB2 ASN 9 HB2 ASN 9 -15.794 -6.937 2.931 68 HB3 ASN 9 HB1 ASN 9 -16.860 -8.338 2.805 69 HD21 ASN 9 HD21 ASN 9 -16.062 -6.680 5.159 70 HD22 ASN 9 HD22 ASN 9 -15.444 -7.803 6.313 71 H LYS 10 HN LYS 10 -13.972 -6.785 0.401 72 HA LYS 10 HA LYS 10 -16.061 -6.776 -1.588 73 HB2 LYS 10 HB2 LYS 10 -14.834 -4.702 -0.915 74 HB3 LYS 10 HB1 LYS 10 -13.363 -5.329 -1.651 75 HG2 LYS 10 HG2 LYS 10 -15.846 -5.049 -3.349 76 HG3 LYS 10 HG1 LYS 10 -14.933 -3.603 -2.921 77 HD2 LYS 10 HD2 LYS 10 -12.898 -4.597 -3.917 78 HD3 LYS 10 HD1 LYS 10 -13.808 -6.035 -4.368 79 HE2 LYS 10 HE2 LYS 10 -14.449 -3.249 -5.358 80 HE3 LYS 10 HE1 LYS 10 -13.421 -4.386 -6.227 81 HZ1 LYS 10 HZ1 LYS 10 -16.267 -4.738 -5.550 82 HZ2 LYS 10 HZ2 LYS 10 -15.305 -5.929 -6.250 83 HZ3 LYS 10 HZ3 LYS 10 -15.608 -4.490 -7.079 84 H LEU 11 HN LEU 11 -12.657 -7.885 -1.497 85 HA LEU 11 HA LEU 11 -12.884 -9.101 -4.133 86 HB2 LEU 11 HB2 LEU 11 -10.609 -9.333 -2.137 87 HB3 LEU 11 HB1 LEU 11 -10.586 -9.927 -3.794 88 HG LEU 11 HG LEU 11 -10.415 -7.066 -2.791 89 HD11 LEU 11 HD11 LEU 11 -8.512 -6.940 -4.353 90 HD12 LEU 11 HD12 LEU 11 -8.790 -8.622 -4.812 91 HD13 LEU 11 HD13 LEU 11 -8.324 -8.224 -3.164 92 HD21 LEU 11 HD21 LEU 11 -11.134 -7.772 -5.655 93 HD22 LEU 11 HD22 LEU 11 -10.757 -6.166 -5.016 94 HD23 LEU 11 HD23 LEU 11 -12.204 -7.003 -4.479 95 H GLY 12 HN GLY 12 -13.906 -9.972 -1.074 96 HA2 GLY 12 HA2 GLY 12 -15.384 -11.844 -0.870 97 HA3 GLY 12 HA1 GLY 12 -14.388 -12.745 -2.003 98 H SER 13 HN SER 13 -11.862 -11.908 -0.621 99 HA SER 13 HA SER 13 -11.933 -13.034 2.032 100 HB2 SER 13 HB2 SER 13 -10.541 -15.048 1.475 101 HB3 SER 13 HB1 SER 13 -12.155 -15.112 0.753 102 HG SER 13 HG SER 13 -10.308 -15.652 -0.652 103 H VAL 14 HN VAL 14 -9.652 -13.432 2.846 104 HA VAL 14 HA VAL 14 -7.915 -11.217 2.255 105 HB VAL 14 HB VAL 14 -7.908 -13.477 4.279 106 HG11 VAL 14 HG11 VAL 14 -5.553 -13.446 3.555 107 HG12 VAL 14 HG12 VAL 14 -5.704 -12.783 5.181 108 HG13 VAL 14 HG13 VAL 14 -5.477 -11.702 3.802 109 HG21 VAL 14 HG21 VAL 14 -7.722 -10.447 4.443 110 HG22 VAL 14 HG22 VAL 14 -7.670 -11.528 5.855 111 HG23 VAL 14 HG23 VAL 14 -9.115 -11.463 4.848 112 H SER 15 HN SER 15 -8.010 -14.656 1.479 113 HA SER 15 HA SER 15 -5.438 -14.931 0.387 114 HB2 SER 15 HB2 SER 15 -6.473 -16.855 -0.911 115 HB3 SER 15 HB1 SER 15 -6.763 -16.908 0.828 116 HG SER 15 HG SER 15 -8.702 -17.287 -0.133 117 H ALA 16 HN ALA 16 -8.514 -13.892 -0.988 118 HA ALA 16 HA ALA 16 -7.624 -13.485 -3.669 119 HB1 ALA 16 HB1 ALA 16 -10.053 -12.354 -2.227 120 HB2 ALA 16 HB2 ALA 16 -9.991 -13.878 -3.114 121 HB3 ALA 16 HB3 ALA 16 -9.795 -12.353 -3.978 122 H LEU 17 HN LEU 17 -8.016 -11.343 -0.834 123 HA LEU 17 HA LEU 17 -7.402 -8.924 -2.176 124 HB2 LEU 17 HB2 LEU 17 -8.603 -8.956 -0.010 125 HB3 LEU 17 HB1 LEU 17 -7.143 -9.512 0.799 126 HG LEU 17 HG LEU 17 -5.994 -7.430 0.191 127 HD11 LEU 17 HD11 LEU 17 -8.638 -6.524 -1.000 128 HD12 LEU 17 HD12 LEU 17 -7.148 -6.850 -1.889 129 HD13 LEU 17 HD13 LEU 17 -7.220 -5.494 -0.766 130 HD21 LEU 17 HD21 LEU 17 -8.577 -6.892 1.639 131 HD22 LEU 17 HD22 LEU 17 -7.133 -5.870 1.672 132 HD23 LEU 17 HD23 LEU 17 -7.075 -7.504 2.334 133 H ALA 18 HN ALA 18 -5.402 -11.236 -0.501 134 HA ALA 18 HA ALA 18 -3.052 -9.618 -0.347 135 HB1 ALA 18 HB1 ALA 18 -1.969 -11.637 0.520 136 HB2 ALA 18 HB2 ALA 18 -3.364 -12.607 0.032 137 HB3 ALA 18 HB3 ALA 18 -3.541 -11.380 1.288 138 H ALA 19 HN ALA 19 -4.221 -12.154 -2.516 139 HA ALA 19 HA ALA 19 -1.921 -12.446 -4.139 140 HB1 ALA 19 HB1 ALA 19 -3.454 -13.495 -5.755 141 HB2 ALA 19 HB2 ALA 19 -4.843 -12.873 -4.856 142 HB3 ALA 19 HB3 ALA 19 -3.776 -14.069 -4.116 143 H ALA 20 HN ALA 20 -4.609 -10.177 -4.142 144 HA ALA 20 HA ALA 20 -4.024 -8.930 -6.677 145 HB1 ALA 20 HB1 ALA 20 -5.814 -8.025 -4.401 146 HB2 ALA 20 HB2 ALA 20 -6.309 -9.010 -5.779 147 HB3 ALA 20 HB3 ALA 20 -5.790 -7.342 -6.031 148 H LEU 21 HN LEU 21 -3.324 -8.224 -3.284 149 HA LEU 21 HA LEU 21 -2.074 -5.649 -3.865 150 HB2 LEU 21 HB2 LEU 21 -2.526 -7.161 -1.277 151 HB3 LEU 21 HB1 LEU 21 -1.701 -5.608 -1.356 152 HG LEU 21 HG LEU 21 -4.601 -6.108 -2.163 153 HD11 LEU 21 HD11 LEU 21 -3.456 -4.753 0.283 154 HD12 LEU 21 HD12 LEU 21 -4.422 -6.234 0.213 155 HD13 LEU 21 HD13 LEU 21 -5.157 -4.685 -0.201 156 HD21 LEU 21 HD21 LEU 21 -3.028 -3.513 -2.083 157 HD22 LEU 21 HD22 LEU 21 -4.765 -3.650 -2.374 158 HD23 LEU 21 HD23 LEU 21 -3.627 -4.332 -3.531 159 H GLY 22 HN GLY 22 -1.102 -8.856 -3.875 160 HA2 GLY 22 HA2 GLY 22 0.940 -9.788 -4.428 161 HA3 GLY 22 HA1 GLY 22 1.640 -8.175 -4.439 162 H VAL 23 HN VAL 23 -0.046 -9.312 -1.607 163 HA VAL 23 HA VAL 23 2.518 -9.679 -0.143 164 HB VAL 23 HB VAL 23 1.303 -8.810 1.900 165 HG11 VAL 23 HG11 VAL 23 2.834 -7.352 0.652 166 HG12 VAL 23 HG12 VAL 23 1.498 -6.430 1.342 167 HG13 VAL 23 HG13 VAL 23 1.506 -6.817 -0.381 168 HG21 VAL 23 HG21 VAL 23 -0.856 -7.982 -0.094 169 HG22 VAL 23 HG22 VAL 23 -0.785 -7.500 1.604 170 HG23 VAL 23 HG23 VAL 23 -1.027 -9.195 1.182 171 H ASN 24 HN ASN 24 1.901 -10.704 2.110 172 HA ASN 24 HA ASN 24 0.827 -13.340 1.599 173 HB2 ASN 24 HB2 ASN 24 2.021 -12.021 4.057 174 HB3 ASN 24 HB1 ASN 24 1.357 -13.652 4.099 175 HD21 ASN 24 HD21 ASN 24 3.206 -14.669 4.514 176 HD22 ASN 24 HD22 ASN 24 4.545 -14.771 3.417 177 H GLN 25 HN GLN 25 -0.646 -14.348 3.094 178 HA GLN 25 HA GLN 25 -3.098 -12.896 3.440 179 HB2 GLN 25 HB2 GLN 25 -2.300 -15.718 4.304 180 HB3 GLN 25 HB1 GLN 25 -3.919 -15.055 4.464 181 HG2 GLN 25 HG2 GLN 25 -3.941 -16.451 2.547 182 HG3 GLN 25 HG1 GLN 25 -4.005 -14.798 1.960 183 HE21 GLN 25 HE21 GLN 25 -2.214 -13.981 0.800 184 HE22 GLN 25 HE22 GLN 25 -0.969 -15.003 0.178 185 H SER 26 HN SER 26 -0.423 -13.957 5.481 186 HA SER 26 HA SER 26 -1.511 -13.160 8.003 187 HB2 SER 26 HB2 SER 26 1.407 -13.394 7.142 188 HB3 SER 26 HB1 SER 26 0.811 -13.369 8.808 189 HG SER 26 HG SER 26 -0.440 -15.266 7.334 190 H ALA 27 HN ALA 27 0.130 -11.467 5.390 191 HA ALA 27 HA ALA 27 0.843 -9.075 6.785 192 HB1 ALA 27 HB1 ALA 27 1.917 -9.761 4.674 193 HB2 ALA 27 HB2 ALA 27 1.238 -8.136 4.548 194 HB3 ALA 27 HB3 ALA 27 0.398 -9.507 3.814 195 H ILE 28 HN ILE 28 -1.961 -9.970 4.777 196 HA ILE 28 HA ILE 28 -3.309 -7.465 4.878 197 HB ILE 28 HB ILE 28 -4.455 -10.258 4.485 198 HG12 ILE 28 HG12 ILE 28 -2.769 -9.563 2.770 199 HG13 ILE 28 HG11 ILE 28 -4.376 -9.804 2.097 200 HG21 ILE 28 HG21 ILE 28 -6.236 -8.732 5.161 201 HG22 ILE 28 HG22 ILE 28 -6.409 -9.127 3.452 202 HG23 ILE 28 HG23 ILE 28 -5.744 -7.564 3.931 203 HD11 ILE 28 HD11 ILE 28 -4.717 -7.381 2.063 204 HD12 ILE 28 HD12 ILE 28 -3.301 -7.870 1.135 205 HD13 ILE 28 HD13 ILE 28 -3.100 -7.154 2.732 206 H SER 29 HN SER 29 -3.648 -10.436 6.784 207 HA SER 29 HA SER 29 -5.669 -9.616 8.568 208 HB2 SER 29 HB2 SER 29 -4.914 -11.972 8.220 209 HB3 SER 29 HB1 SER 29 -3.400 -11.603 9.045 210 HG SER 29 HG SER 29 -4.853 -12.526 10.487 211 H GLN 30 HN GLN 30 -2.184 -9.219 8.623 212 HA GLN 30 HA GLN 30 -1.826 -7.996 11.136 213 HB2 GLN 30 HB2 GLN 30 0.043 -8.884 9.853 214 HB3 GLN 30 HB1 GLN 30 -0.276 -7.774 8.531 215 HG2 GLN 30 HG2 GLN 30 0.392 -5.873 9.947 216 HG3 GLN 30 HG1 GLN 30 0.703 -6.976 11.293 217 HE21 GLN 30 HE21 GLN 30 2.462 -8.451 11.115 218 HE22 GLN 30 HE22 GLN 30 3.768 -8.178 10.019 219 H TRP 31 HN TRP 31 -2.476 -6.637 7.901 220 HA TRP 31 HA TRP 31 -2.418 -3.886 8.651 221 HB2 TRP 31 HB2 TRP 31 -3.613 -5.279 6.238 222 HB3 TRP 31 HB1 TRP 31 -3.533 -3.526 6.400 223 HD1 TRP 31 HD1 TRP 31 -0.346 -4.180 7.753 224 HE1 TRP 31 HE1 TRP 31 1.497 -4.256 5.978 225 HE3 TRP 31 HE3 TRP 31 -3.229 -4.872 3.580 226 HZ2 TRP 31 HZ2 TRP 31 1.718 -4.559 3.181 227 HZ3 TRP 31 HZ3 TRP 31 -2.126 -5.029 1.403 228 HH2 TRP 31 HH2 TRP 31 0.289 -4.877 1.198 229 H ARG 32 HN ARG 32 -4.920 -6.319 8.726 230 HA ARG 32 HA ARG 32 -7.168 -4.583 9.057 231 HB2 ARG 32 HB2 ARG 32 -7.732 -6.776 8.339 232 HB3 ARG 32 HB1 ARG 32 -6.667 -7.534 9.516 233 HG2 ARG 32 HG2 ARG 32 -8.212 -6.879 11.337 234 HG3 ARG 32 HG1 ARG 32 -9.301 -6.154 10.150 235 HD2 ARG 32 HD2 ARG 32 -8.505 -9.076 9.962 236 HD3 ARG 32 HD1 ARG 32 -9.807 -8.556 11.033 237 HE ARG 32 HE ARG 32 -10.512 -7.438 8.680 238 HH11 ARG 32 HH11 ARG 32 -10.724 -11.426 8.314 239 HH12 ARG 32 HH12 ARG 32 -9.681 -10.733 9.507 240 HH21 ARG 32 HH21 ARG 32 -12.019 -10.049 6.971 241 HH22 ARG 32 HH22 ARG 32 -11.936 -8.332 7.169 242 H ALA 33 HN ALA 33 -4.930 -6.268 11.241 243 HA ALA 33 HA ALA 33 -6.249 -5.240 13.630 244 HB1 ALA 33 HB1 ALA 33 -5.367 -7.542 13.621 245 HB2 ALA 33 HB2 ALA 33 -4.582 -6.567 14.867 246 HB3 ALA 33 HB3 ALA 33 -3.736 -6.921 13.357 247 H ARG 34 HN ARG 34 -3.869 -4.139 11.486 248 HA ARG 34 HA ARG 34 -2.509 -2.369 13.357 249 HB2 ARG 34 HB2 ARG 34 -1.331 -3.491 11.429 250 HB3 ARG 34 HB1 ARG 34 -2.350 -2.588 10.325 251 HG2 ARG 34 HG2 ARG 34 -0.279 -1.475 10.374 252 HG3 ARG 34 HG1 ARG 34 -1.391 -0.474 11.298 253 HD2 ARG 34 HD2 ARG 34 -0.483 -1.305 13.398 254 HD3 ARG 34 HD1 ARG 34 0.561 -2.441 12.537 255 HE ARG 34 HE ARG 34 0.885 0.442 12.062 256 HH11 ARG 34 HH11 ARG 34 2.177 -2.500 13.464 257 HH12 ARG 34 HH12 ARG 34 3.762 -1.840 13.684 258 HH21 ARG 34 HH21 ARG 34 2.977 1.285 12.365 259 HH22 ARG 34 HH22 ARG 34 4.220 0.301 13.063 260 H GLY 35 HN GLY 35 -4.942 -2.350 10.867 261 HA2 GLY 35 HA2 GLY 35 -6.755 -0.931 10.604 262 HA3 GLY 35 HA1 GLY 35 -6.035 0.223 11.712 263 H ARG 36 HN ARG 36 -3.588 -0.517 9.675 264 HA ARG 36 HA ARG 36 -4.220 1.343 7.519 265 HB2 ARG 36 HB2 ARG 36 -2.271 2.820 8.055 266 HB3 ARG 36 HB1 ARG 36 -3.488 2.868 9.321 267 HG2 ARG 36 HG2 ARG 36 -2.075 1.162 10.582 268 HG3 ARG 36 HG1 ARG 36 -0.813 1.450 9.385 269 HD2 ARG 36 HD2 ARG 36 -0.383 2.783 11.382 270 HD3 ARG 36 HD1 ARG 36 -0.776 3.838 10.026 271 HE ARG 36 HE ARG 36 -2.857 4.345 11.005 272 HH11 ARG 36 HH11 ARG 36 -1.020 2.222 13.062 273 HH12 ARG 36 HH12 ARG 36 -1.950 2.571 14.475 274 HH21 ARG 36 HH21 ARG 36 -4.030 4.860 12.888 275 HH22 ARG 36 HH22 ARG 36 -3.654 4.063 14.378 276 H VAL 37 HN VAL 37 -2.446 1.407 5.927 277 HA VAL 37 HA VAL 37 -0.812 -1.076 5.919 278 HB VAL 37 HB VAL 37 -0.861 -1.031 3.458 279 HG11 VAL 37 HG11 VAL 37 -3.661 -0.834 4.596 280 HG12 VAL 37 HG12 VAL 37 -2.628 -2.262 4.638 281 HG13 VAL 37 HG13 VAL 37 -3.202 -1.639 3.091 282 HG21 VAL 37 HG21 VAL 37 -2.682 1.395 3.687 283 HG22 VAL 37 HG22 VAL 37 -2.307 0.529 2.193 284 HG23 VAL 37 HG23 VAL 37 -1.032 1.387 3.060 285 HA PRO 38 HA PRO 38 3.047 1.296 5.242 286 HB2 PRO 38 HB2 PRO 38 3.430 -0.789 3.073 287 HB3 PRO 38 HB1 PRO 38 4.565 -0.254 4.332 288 HG2 PRO 38 HG2 PRO 38 3.358 -2.564 4.602 289 HG3 PRO 38 HG1 PRO 38 3.503 -1.474 6.004 290 HD2 PRO 38 HD2 PRO 38 1.109 -1.972 4.250 291 HD3 PRO 38 HD1 PRO 38 1.197 -1.807 6.018 292 H ALA 39 HN ALA 39 4.217 2.316 3.377 293 HA ALA 39 HA ALA 39 2.541 4.085 2.031 294 HB1 ALA 39 HB1 ALA 39 4.846 4.595 2.668 295 HB2 ALA 39 HB2 ALA 39 4.600 4.886 0.947 296 HB3 ALA 39 HB3 ALA 39 5.460 3.438 1.483 297 H GLY 40 HN GLY 40 1.606 4.084 0.050 298 HA2 GLY 40 HA2 GLY 40 1.095 3.675 -2.138 299 HA3 GLY 40 HA1 GLY 40 2.645 2.856 -2.294 300 H ARG 41 HN ARG 41 -0.546 2.319 -0.724 301 HA ARG 41 HA ARG 41 -0.884 -0.209 -2.129 302 HB2 ARG 41 HB2 ARG 41 0.520 -0.715 -0.060 303 HB3 ARG 41 HB1 ARG 41 -0.847 -0.220 0.924 304 HG2 ARG 41 HG2 ARG 41 -0.986 -2.572 0.873 305 HG3 ARG 41 HG1 ARG 41 -2.188 -2.047 -0.308 306 HD2 ARG 41 HD2 ARG 41 0.632 -2.948 -0.996 307 HD3 ARG 41 HD1 ARG 41 -0.784 -3.990 -1.053 308 HE ARG 41 HE ARG 41 -1.532 -2.010 -2.741 309 HH11 ARG 41 HH11 ARG 41 1.508 -3.754 -2.536 310 HH12 ARG 41 HH12 ARG 41 1.846 -3.630 -4.228 311 HH21 ARG 41 HH21 ARG 41 0.378 -2.584 -5.601 312 HH22 ARG 41 HH22 ARG 41 -1.079 -1.909 -4.969 313 H CYS 42 HN CYS 42 -2.103 2.187 0.139 314 HA CYS 42 HA CYS 42 -4.809 1.333 0.189 315 HB2 CYS 42 HB2 CYS 42 -3.414 3.861 0.932 316 HB3 CYS 42 HB1 CYS 42 -5.162 3.943 0.715 317 H ILE 43 HN ILE 43 -3.004 2.881 -2.273 318 HA ILE 43 HA ILE 43 -4.857 4.125 -3.909 319 HB ILE 43 HB ILE 43 -2.657 2.189 -4.786 320 HG12 ILE 43 HG12 ILE 43 -2.507 5.217 -4.409 321 HG13 ILE 43 HG11 ILE 43 -1.824 4.032 -3.301 322 HG21 ILE 43 HG21 ILE 43 -4.026 4.403 -6.380 323 HG22 ILE 43 HG22 ILE 43 -4.215 2.666 -6.632 324 HG23 ILE 43 HG23 ILE 43 -2.658 3.433 -6.938 325 HD11 ILE 43 HD11 ILE 43 -0.988 4.490 -6.159 326 HD12 ILE 43 HD12 ILE 43 -0.298 3.286 -5.065 327 HD13 ILE 43 HD13 ILE 43 -0.127 5.004 -4.710 328 H ASP 44 HN ASP 44 -3.997 0.659 -3.895 329 HA ASP 44 HA ASP 44 -5.956 -0.197 -5.786 330 HB2 ASP 44 HB2 ASP 44 -4.789 -2.022 -3.648 331 HB3 ASP 44 HB1 ASP 44 -5.246 -2.412 -5.307 332 H ILE 45 HN ILE 45 -5.768 -0.185 -2.269 333 HA ILE 45 HA ILE 45 -8.099 -1.659 -1.723 334 HB ILE 45 HB ILE 45 -6.583 0.310 0.043 335 HG12 ILE 45 HG12 ILE 45 -6.496 -2.754 -0.123 336 HG13 ILE 45 HG11 ILE 45 -5.216 -1.653 -0.631 337 HG21 ILE 45 HG21 ILE 45 -8.685 -1.722 0.891 338 HG22 ILE 45 HG22 ILE 45 -8.897 0.030 0.885 339 HG23 ILE 45 HG23 ILE 45 -7.730 -0.712 1.977 340 HD11 ILE 45 HD11 ILE 45 -4.955 -0.950 1.740 341 HD12 ILE 45 HD12 ILE 45 -4.647 -2.664 1.470 342 HD13 ILE 45 HD13 ILE 45 -6.172 -2.154 2.199 343 H GLU 46 HN GLU 46 -7.675 1.815 -2.362 344 HA GLU 46 HA GLU 46 -10.347 2.532 -1.569 345 HB2 GLU 46 HB2 GLU 46 -8.302 4.058 -3.185 346 HB3 GLU 46 HB1 GLU 46 -9.911 4.694 -2.841 347 HG2 GLU 46 HG2 GLU 46 -9.440 4.485 -0.420 348 HG3 GLU 46 HG1 GLU 46 -7.801 3.956 -0.794 349 H LEU 47 HN LEU 47 -8.930 1.441 -4.648 350 HA LEU 47 HA LEU 47 -11.295 1.741 -6.186 351 HB2 LEU 47 HB2 LEU 47 -8.953 -0.157 -6.379 352 HB3 LEU 47 HB1 LEU 47 -10.341 -0.371 -7.431 353 HG LEU 47 HG LEU 47 -9.984 1.987 -8.258 354 HD11 LEU 47 HD11 LEU 47 -7.330 1.830 -6.820 355 HD12 LEU 47 HD12 LEU 47 -8.667 2.913 -6.425 356 HD13 LEU 47 HD13 LEU 47 -7.826 3.081 -7.964 357 HD21 LEU 47 HD21 LEU 47 -7.719 0.027 -8.750 358 HD22 LEU 47 HD22 LEU 47 -8.150 1.389 -9.791 359 HD23 LEU 47 HD23 LEU 47 -9.279 0.054 -9.581 360 H TYR 48 HN TYR 48 -10.432 -0.521 -3.691 361 HA TYR 48 HA TYR 48 -12.731 -2.271 -4.200 362 HB2 TYR 48 HB2 TYR 48 -10.804 -2.403 -1.859 363 HB3 TYR 48 HB1 TYR 48 -11.863 -3.691 -2.452 364 HD1 TYR 48 HD1 TYR 48 -8.720 -3.662 -1.990 365 HD2 TYR 48 HD2 TYR 48 -11.128 -3.255 -5.503 366 HE1 TYR 48 HE1 TYR 48 -6.860 -4.459 -3.366 367 HE2 TYR 48 HE2 TYR 48 -9.264 -4.055 -6.868 368 HH TYR 48 HH TYR 48 -6.700 -4.080 -6.625 369 H THR 49 HN THR 49 -11.894 0.453 -2.236 370 HA THR 49 HA THR 49 -14.418 0.241 -0.678 371 HB THR 49 HB THR 49 -13.340 1.652 1.036 372 HG1 THR 49 HG1 THR 49 -11.871 2.908 0.068 373 HG21 THR 49 HG21 THR 49 -11.533 -0.664 0.252 374 HG22 THR 49 HG22 THR 49 -13.006 -0.781 1.218 375 HG23 THR 49 HG23 THR 49 -11.621 0.108 1.838 376 H ASP 50 HN ASP 50 -14.553 1.056 -3.238 377 HA ASP 50 HA ASP 50 -13.820 3.330 -4.369 378 HB2 ASP 50 HB2 ASP 50 -15.181 1.608 -5.459 379 HB3 ASP 50 HB1 ASP 50 -16.599 2.115 -4.550 380 H GLY 51 HN GLY 51 -16.893 3.268 -2.558 381 HA2 GLY 51 HA2 GLY 51 -16.489 6.107 -1.765 382 HA3 GLY 51 HA1 GLY 51 -18.032 5.585 -2.453 383 H ARG 52 HN ARG 52 -16.251 3.384 -0.487 384 HA ARG 52 HA ARG 52 -18.391 3.334 1.521 385 HB2 ARG 52 HB2 ARG 52 -16.027 1.488 0.981 386 HB3 ARG 52 HB1 ARG 52 -17.243 1.206 2.228 387 HG2 ARG 52 HG2 ARG 52 -18.968 0.861 0.611 388 HG3 ARG 52 HG1 ARG 52 -17.975 1.488 -0.703 389 HD2 ARG 52 HD2 ARG 52 -16.498 -0.466 -0.551 390 HD3 ARG 52 HD1 ARG 52 -17.422 -1.073 0.826 391 HE ARG 52 HE ARG 52 -19.347 -1.290 -0.677 392 HH11 ARG 52 HH11 ARG 52 -16.700 -2.020 -3.595 393 HH12 ARG 52 HH12 ARG 52 -16.171 -1.200 -2.168 394 HH21 ARG 52 HH21 ARG 52 -20.005 -2.330 -2.553 395 HH22 ARG 52 HH22 ARG 52 -18.871 -2.663 -3.818 396 H VAL 53 HN VAL 53 -14.821 3.420 1.456 397 HA VAL 53 HA VAL 53 -14.685 5.162 3.770 398 HB VAL 53 HB VAL 53 -14.907 3.098 5.014 399 HG11 VAL 53 HG11 VAL 53 -13.541 1.087 4.645 400 HG12 VAL 53 HG12 VAL 53 -12.770 1.855 3.254 401 HG13 VAL 53 HG13 VAL 53 -14.498 1.484 3.211 402 HG21 VAL 53 HG21 VAL 53 -13.138 4.587 5.883 403 HG22 VAL 53 HG22 VAL 53 -11.933 3.749 4.904 404 HG23 VAL 53 HG23 VAL 53 -12.752 2.895 6.214 405 H GLU 54 HN GLU 54 -12.900 6.381 3.714 406 HA GLU 54 HA GLU 54 -11.009 6.337 1.588 407 HB2 GLU 54 HB2 GLU 54 -11.643 8.426 2.676 408 HB3 GLU 54 HB1 GLU 54 -11.134 7.823 4.248 409 HG2 GLU 54 HG2 GLU 54 -8.765 7.781 3.386 410 HG3 GLU 54 HG1 GLU 54 -9.348 8.551 1.904 411 H CYS 55 HN CYS 55 -9.180 5.055 1.458 412 HA CYS 55 HA CYS 55 -8.400 3.455 3.758 413 HB2 CYS 55 HB2 CYS 55 -8.385 2.503 1.439 414 HB3 CYS 55 HB1 CYS 55 -7.009 3.535 1.061 415 H ARG 56 HN ARG 56 -6.336 3.512 4.761 416 HA ARG 56 HA ARG 56 -4.962 6.134 4.589 417 HB2 ARG 56 HB2 ARG 56 -4.742 5.940 7.132 418 HB3 ARG 56 HB1 ARG 56 -6.347 6.293 6.499 419 HG2 ARG 56 HG2 ARG 56 -6.890 3.819 6.756 420 HG3 ARG 56 HG1 ARG 56 -5.351 3.643 7.609 421 HD2 ARG 56 HD2 ARG 56 -6.120 5.307 9.284 422 HD3 ARG 56 HD1 ARG 56 -7.661 5.439 8.432 423 HE ARG 56 HE ARG 56 -7.259 2.754 9.048 424 HH11 ARG 56 HH11 ARG 56 -7.917 5.744 10.764 425 HH12 ARG 56 HH12 ARG 56 -8.705 4.941 12.084 426 HH21 ARG 56 HH21 ARG 56 -8.288 1.724 10.795 427 HH22 ARG 56 HH22 ARG 56 -8.917 2.672 12.103 428 H GLU 57 HN GLU 57 -2.972 5.829 3.923 429 HA GLU 57 HA GLU 57 -1.403 3.471 4.817 430 HB2 GLU 57 HB2 GLU 57 -0.027 3.782 2.755 431 HB3 GLU 57 HB1 GLU 57 -1.708 3.381 2.410 432 HG2 GLU 57 HG2 GLU 57 -2.206 5.691 1.833 433 HG3 GLU 57 HG1 GLU 57 -0.575 6.185 2.310 434 H LEU 58 HN LEU 58 0.911 3.876 4.987 435 HA LEU 58 HA LEU 58 1.447 6.377 6.383 436 HB2 LEU 58 HB2 LEU 58 3.100 3.849 6.076 437 HB3 LEU 58 HB1 LEU 58 3.537 5.226 7.088 438 HG LEU 58 HG LEU 58 1.072 3.467 7.470 439 HD11 LEU 58 HD11 LEU 58 2.116 2.657 9.515 440 HD12 LEU 58 HD12 LEU 58 3.565 3.617 9.186 441 HD13 LEU 58 HD13 LEU 58 3.123 2.288 8.111 442 HD21 LEU 58 HD21 LEU 58 0.576 5.765 8.154 443 HD22 LEU 58 HD22 LEU 58 2.041 5.826 9.136 444 HD23 LEU 58 HD23 LEU 58 0.724 4.739 9.579 445 H ARG 59 HN ARG 59 3.390 7.636 5.962 446 HA ARG 59 HA ARG 59 3.570 8.322 3.197 447 HB2 ARG 59 HB2 ARG 59 5.136 10.057 3.855 448 HB3 ARG 59 HB1 ARG 59 3.774 10.020 4.988 449 HG2 ARG 59 HG2 ARG 59 5.138 8.928 6.685 450 HG3 ARG 59 HG1 ARG 59 6.465 8.717 5.540 451 HD2 ARG 59 HD2 ARG 59 5.428 11.352 6.629 452 HD3 ARG 59 HD1 ARG 59 6.961 10.580 7.045 453 HE ARG 59 HE ARG 59 6.332 12.122 4.679 454 HH11 ARG 59 HH11 ARG 59 8.578 9.751 5.992 455 HH12 ARG 59 HH12 ARG 59 9.817 10.136 4.847 456 HH21 ARG 59 HH21 ARG 59 9.464 11.733 3.260 457 HH22 ARG 59 HH22 ARG 59 7.948 12.567 3.192 458 HA PRO 60 HA PRO 60 7.071 5.916 1.865 459 HB2 PRO 60 HB2 PRO 60 8.381 7.555 0.118 460 HB3 PRO 60 HB1 PRO 60 6.785 6.856 -0.245 461 HG2 PRO 60 HG2 PRO 60 7.463 9.607 0.757 462 HG3 PRO 60 HG1 PRO 60 6.332 9.101 -0.507 463 HD2 PRO 60 HD2 PRO 60 5.508 9.719 2.042 464 HD3 PRO 60 HD1 PRO 60 4.654 8.542 1.001 465 H ASP 61 HN ASP 61 8.826 5.404 2.864 466 HA ASP 61 HA ASP 61 10.131 6.932 4.875 467 HB2 ASP 61 HB2 ASP 61 11.048 4.346 3.517 468 HB3 ASP 61 HB1 ASP 61 11.722 5.013 5.004 469 H VAL 62 HN VAL 62 11.527 5.555 1.864 470 HA VAL 62 HA VAL 62 13.339 7.892 1.633 471 HB VAL 62 HB VAL 62 15.156 6.377 0.836 472 HG11 VAL 62 HG11 VAL 62 14.149 5.619 3.613 473 HG12 VAL 62 HG12 VAL 62 15.136 7.029 3.221 474 HG13 VAL 62 HG13 VAL 62 15.801 5.406 3.021 475 HG21 VAL 62 HG21 VAL 62 13.786 4.502 -0.024 476 HG22 VAL 62 HG22 VAL 62 13.287 4.089 1.620 477 HG23 VAL 62 HG23 VAL 62 14.977 3.918 1.142 478 H PHE 63 HN PHE 63 10.814 6.363 0.211 479 HA PHE 63 HA PHE 63 11.652 6.359 -2.551 480 HB2 PHE 63 HB2 PHE 63 9.851 4.877 -1.804 481 HB3 PHE 63 HB1 PHE 63 8.885 6.253 -1.298 482 HD1 PHE 63 HD1 PHE 63 10.329 4.567 -4.304 483 HD2 PHE 63 HD2 PHE 63 7.419 7.351 -2.861 484 HE1 PHE 63 HE1 PHE 63 9.280 4.628 -6.525 485 HE2 PHE 63 HE2 PHE 63 6.376 7.406 -5.080 486 HZ PHE 63 HZ PHE 63 7.301 6.047 -6.922 487 H GLY 64 HN GLY 64 11.795 8.072 -3.887 488 HA2 GLY 64 HA2 GLY 64 10.078 10.374 -3.787 489 HA3 GLY 64 HA1 GLY 64 11.688 10.720 -3.159 490 H ALA 65 HN ALA 65 13.446 9.595 -4.672 491 HA ALA 65 HA ALA 65 12.822 9.754 -7.530 492 HB1 ALA 65 HB1 ALA 65 14.674 11.304 -8.015 493 HB2 ALA 65 HB2 ALA 65 14.977 11.507 -6.289 494 HB3 ALA 65 HB3 ALA 65 13.459 12.074 -6.990 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -15.932 -1.739 11.097 2 H2 MET 1 HT2 MET 1 -15.635 -0.201 10.466 3 H3 MET 1 HT3 MET 1 -14.437 -0.992 11.350 4 HA MET 1 HA MET 1 -14.280 -2.710 9.657 5 HB2 MET 1 HB2 MET 1 -16.212 -0.912 8.121 6 HB3 MET 1 HB1 MET 1 -15.442 -2.359 7.492 7 HG2 MET 1 HG2 MET 1 -16.740 -3.757 8.983 8 HG3 MET 1 HG1 MET 1 -17.417 -2.339 9.785 9 HE1 MET 1 HE1 MET 1 -19.676 -0.824 6.924 10 HE2 MET 1 HE2 MET 1 -18.002 -0.395 7.270 11 HE3 MET 1 HE3 MET 1 -19.143 -0.641 8.595 12 H ASN 2 HN ASN 2 -12.127 -1.963 9.648 13 HA ASN 2 HA ASN 2 -11.340 0.537 8.455 14 HB2 ASN 2 HB2 ASN 2 -9.016 -0.409 8.458 15 HB3 ASN 2 HB1 ASN 2 -9.793 -0.439 10.029 16 HD21 ASN 2 HD21 ASN 2 -10.039 -2.363 11.044 17 HD22 ASN 2 HD22 ASN 2 -9.473 -3.863 10.413 18 H ALA 3 HN ALA 3 -9.991 0.668 6.553 19 HA ALA 3 HA ALA 3 -11.283 0.070 4.220 20 HB1 ALA 3 HB1 ALA 3 -9.597 1.829 4.498 21 HB2 ALA 3 HB2 ALA 3 -9.249 0.828 3.089 22 HB3 ALA 3 HB3 ALA 3 -8.322 0.610 4.578 23 H ILE 4 HN ILE 4 -8.666 -1.730 5.730 24 HA ILE 4 HA ILE 4 -8.026 -3.424 3.540 25 HB ILE 4 HB ILE 4 -7.512 -4.010 6.490 26 HG12 ILE 4 HG12 ILE 4 -5.134 -3.020 5.920 27 HG13 ILE 4 HG11 ILE 4 -5.963 -2.189 4.616 28 HG21 ILE 4 HG21 ILE 4 -5.605 -5.346 5.696 29 HG22 ILE 4 HG22 ILE 4 -6.033 -4.972 4.025 30 HG23 ILE 4 HG23 ILE 4 -7.127 -5.933 5.023 31 HD11 ILE 4 HD11 ILE 4 -6.518 -1.894 7.573 32 HD12 ILE 4 HD12 ILE 4 -7.387 -1.049 6.288 33 HD13 ILE 4 HD13 ILE 4 -5.665 -0.748 6.540 34 H ASP 5 HN ASP 5 -10.137 -3.633 6.343 35 HA ASP 5 HA ASP 5 -10.995 -6.328 6.122 36 HB2 ASP 5 HB2 ASP 5 -11.124 -5.006 8.214 37 HB3 ASP 5 HB1 ASP 5 -12.332 -3.949 7.491 38 H ILE 6 HN ILE 6 -12.297 -3.292 4.889 39 HA ILE 6 HA ILE 6 -14.758 -4.356 3.855 40 HB ILE 6 HB ILE 6 -13.286 -1.723 3.350 41 HG12 ILE 6 HG12 ILE 6 -15.750 -2.395 5.039 42 HG13 ILE 6 HG11 ILE 6 -14.146 -2.010 5.652 43 HG21 ILE 6 HG21 ILE 6 -15.330 -0.871 2.266 44 HG22 ILE 6 HG22 ILE 6 -16.099 -2.449 2.417 45 HG23 ILE 6 HG23 ILE 6 -14.691 -2.248 1.373 46 HD11 ILE 6 HD11 ILE 6 -15.991 -0.137 4.180 47 HD12 ILE 6 HD12 ILE 6 -14.366 0.258 4.745 48 HD13 ILE 6 HD13 ILE 6 -15.630 -0.137 5.906 49 H ALA 7 HN ALA 7 -11.506 -3.848 2.569 50 HA ALA 7 HA ALA 7 -12.111 -4.393 -0.166 51 HB1 ALA 7 HB1 ALA 7 -9.708 -4.590 -0.490 52 HB2 ALA 7 HB2 ALA 7 -9.452 -4.664 1.264 53 HB3 ALA 7 HB3 ALA 7 -10.083 -3.191 0.524 54 H ILE 8 HN ILE 8 -11.351 -6.439 2.601 55 HA ILE 8 HA ILE 8 -11.034 -8.955 1.338 56 HB ILE 8 HB ILE 8 -12.378 -8.352 4.029 57 HG12 ILE 8 HG12 ILE 8 -9.463 -9.093 3.491 58 HG13 ILE 8 HG11 ILE 8 -10.034 -7.470 3.841 59 HG21 ILE 8 HG21 ILE 8 -11.826 -10.678 4.658 60 HG22 ILE 8 HG22 ILE 8 -11.179 -10.973 3.043 61 HG23 ILE 8 HG23 ILE 8 -12.897 -10.634 3.258 62 HD11 ILE 8 HD11 ILE 8 -10.156 -9.834 5.699 63 HD12 ILE 8 HD12 ILE 8 -10.774 -8.218 6.056 64 HD13 ILE 8 HD13 ILE 8 -9.049 -8.465 5.791 65 H ASN 9 HN ASN 9 -13.900 -7.206 2.472 66 HA ASN 9 HA ASN 9 -15.891 -9.121 1.835 67 HB2 ASN 9 HB2 ASN 9 -16.086 -6.087 2.109 68 HB3 ASN 9 HB1 ASN 9 -17.468 -7.181 2.064 69 HD21 ASN 9 HD21 ASN 9 -16.418 -5.314 4.162 70 HD22 ASN 9 HD22 ASN 9 -16.303 -6.285 5.587 71 H LYS 10 HN LYS 10 -14.496 -6.425 0.043 72 HA LYS 10 HA LYS 10 -16.391 -6.342 -2.081 73 HB2 LYS 10 HB2 LYS 10 -14.920 -4.444 -1.264 74 HB3 LYS 10 HB1 LYS 10 -13.545 -5.208 -2.040 75 HG2 LYS 10 HG2 LYS 10 -16.007 -4.412 -3.634 76 HG3 LYS 10 HG1 LYS 10 -14.756 -3.238 -3.238 77 HD2 LYS 10 HD2 LYS 10 -13.089 -4.858 -4.330 78 HD3 LYS 10 HD1 LYS 10 -14.497 -5.725 -4.956 79 HE2 LYS 10 HE2 LYS 10 -13.735 -2.841 -5.519 80 HE3 LYS 10 HE1 LYS 10 -13.637 -4.191 -6.648 81 HZ1 LYS 10 HZ1 LYS 10 -16.072 -4.385 -6.473 82 HZ2 LYS 10 HZ2 LYS 10 -15.564 -2.907 -7.115 83 HZ3 LYS 10 HZ3 LYS 10 -16.099 -2.991 -5.514 84 H LEU 11 HN LEU 11 -13.075 -7.677 -1.827 85 HA LEU 11 HA LEU 11 -13.174 -8.852 -4.474 86 HB2 LEU 11 HB2 LEU 11 -11.106 -9.319 -2.295 87 HB3 LEU 11 HB1 LEU 11 -10.951 -9.751 -3.989 88 HG LEU 11 HG LEU 11 -10.849 -6.984 -2.746 89 HD11 LEU 11 HD11 LEU 11 -8.687 -6.835 -3.941 90 HD12 LEU 11 HD12 LEU 11 -8.899 -8.490 -4.519 91 HD13 LEU 11 HD13 LEU 11 -8.736 -8.167 -2.793 92 HD21 LEU 11 HD21 LEU 11 -11.086 -7.534 -5.720 93 HD22 LEU 11 HD22 LEU 11 -10.774 -5.969 -4.954 94 HD23 LEU 11 HD23 LEU 11 -12.312 -6.780 -4.696 95 H GLY 12 HN GLY 12 -13.996 -9.860 -1.266 96 HA2 GLY 12 HA2 GLY 12 -15.528 -11.687 -1.003 97 HA3 GLY 12 HA1 GLY 12 -14.671 -12.571 -2.257 98 H SER 13 HN SER 13 -12.015 -11.595 -0.904 99 HA SER 13 HA SER 13 -11.905 -13.114 1.546 100 HB2 SER 13 HB2 SER 13 -10.457 -14.954 0.651 101 HB3 SER 13 HB1 SER 13 -12.075 -14.978 -0.052 102 HG SER 13 HG SER 13 -11.274 -14.037 -1.901 103 H VAL 14 HN VAL 14 -9.663 -13.468 2.301 104 HA VAL 14 HA VAL 14 -7.922 -11.183 1.865 105 HB VAL 14 HB VAL 14 -7.756 -13.601 3.739 106 HG11 VAL 14 HG11 VAL 14 -5.446 -12.920 3.200 107 HG12 VAL 14 HG12 VAL 14 -5.842 -12.503 4.864 108 HG13 VAL 14 HG13 VAL 14 -5.822 -11.249 3.621 109 HG21 VAL 14 HG21 VAL 14 -9.470 -11.956 4.324 110 HG22 VAL 14 HG22 VAL 14 -8.274 -10.651 4.253 111 HG23 VAL 14 HG23 VAL 14 -8.154 -11.906 5.501 112 H SER 15 HN SER 15 -8.114 -14.554 0.926 113 HA SER 15 HA SER 15 -5.443 -14.907 0.042 114 HB2 SER 15 HB2 SER 15 -6.431 -16.833 -1.268 115 HB3 SER 15 HB1 SER 15 -6.849 -16.836 0.448 116 HG SER 15 HG SER 15 -8.717 -17.214 -0.686 117 H ALA 16 HN ALA 16 -8.407 -13.759 -1.521 118 HA ALA 16 HA ALA 16 -7.254 -13.151 -4.077 119 HB1 ALA 16 HB1 ALA 16 -9.776 -12.040 -2.788 120 HB2 ALA 16 HB2 ALA 16 -9.680 -13.490 -3.790 121 HB3 ALA 16 HB3 ALA 16 -9.339 -11.909 -4.496 122 H LEU 17 HN LEU 17 -7.899 -11.247 -1.118 123 HA LEU 17 HA LEU 17 -7.293 -8.699 -2.147 124 HB2 LEU 17 HB2 LEU 17 -8.541 -9.033 -0.037 125 HB3 LEU 17 HB1 LEU 17 -7.088 -9.661 0.730 126 HG LEU 17 HG LEU 17 -6.002 -7.484 0.583 127 HD11 LEU 17 HD11 LEU 17 -6.938 -6.639 -1.514 128 HD12 LEU 17 HD12 LEU 17 -7.176 -5.467 -0.223 129 HD13 LEU 17 HD13 LEU 17 -8.530 -6.462 -0.766 130 HD21 LEU 17 HD21 LEU 17 -8.770 -7.232 1.781 131 HD22 LEU 17 HD22 LEU 17 -7.380 -6.202 2.144 132 HD23 LEU 17 HD23 LEU 17 -7.337 -7.915 2.561 133 H ALA 18 HN ALA 18 -5.282 -10.905 -0.273 134 HA ALA 18 HA ALA 18 -2.939 -9.343 -0.199 135 HB1 ALA 18 HB1 ALA 18 -3.465 -11.144 1.396 136 HB2 ALA 18 HB2 ALA 18 -1.872 -11.352 0.666 137 HB3 ALA 18 HB3 ALA 18 -3.231 -12.344 0.122 138 H ALA 19 HN ALA 19 -4.060 -11.897 -2.416 139 HA ALA 19 HA ALA 19 -1.729 -12.148 -3.991 140 HB1 ALA 19 HB1 ALA 19 -3.196 -13.134 -5.697 141 HB2 ALA 19 HB2 ALA 19 -4.620 -12.516 -4.850 142 HB3 ALA 19 HB3 ALA 19 -3.603 -13.740 -4.090 143 H ALA 20 HN ALA 20 -4.481 -9.914 -4.202 144 HA ALA 20 HA ALA 20 -3.697 -8.590 -6.619 145 HB1 ALA 20 HB1 ALA 20 -5.567 -7.658 -4.409 146 HB2 ALA 20 HB2 ALA 20 -6.023 -8.590 -5.835 147 HB3 ALA 20 HB3 ALA 20 -5.434 -6.938 -6.018 148 H LEU 21 HN LEU 21 -3.103 -8.044 -3.189 149 HA LEU 21 HA LEU 21 -1.719 -5.505 -3.567 150 HB2 LEU 21 HB2 LEU 21 -2.312 -7.217 -1.125 151 HB3 LEU 21 HB1 LEU 21 -1.390 -5.720 -1.037 152 HG LEU 21 HG LEU 21 -4.258 -5.892 -2.053 153 HD11 LEU 21 HD11 LEU 21 -3.248 -5.031 0.672 154 HD12 LEU 21 HD12 LEU 21 -4.251 -6.446 0.294 155 HD13 LEU 21 HD13 LEU 21 -4.907 -4.822 0.077 156 HD21 LEU 21 HD21 LEU 21 -3.030 -4.009 -2.997 157 HD22 LEU 21 HD22 LEU 21 -2.543 -3.481 -1.385 158 HD23 LEU 21 HD23 LEU 21 -4.246 -3.443 -1.855 159 H GLY 22 HN GLY 22 -0.854 -8.737 -3.835 160 HA2 GLY 22 HA2 GLY 22 1.153 -9.719 -4.381 161 HA3 GLY 22 HA1 GLY 22 1.871 -8.115 -4.381 162 H VAL 23 HN VAL 23 0.245 -9.299 -1.548 163 HA VAL 23 HA VAL 23 2.783 -9.975 -0.182 164 HB VAL 23 HB VAL 23 1.801 -9.086 1.938 165 HG11 VAL 23 HG11 VAL 23 3.301 -7.636 0.655 166 HG12 VAL 23 HG12 VAL 23 2.054 -6.674 1.452 167 HG13 VAL 23 HG13 VAL 23 1.940 -7.007 -0.279 168 HG21 VAL 23 HG21 VAL 23 -0.480 -8.047 0.188 169 HG22 VAL 23 HG22 VAL 23 -0.232 -7.638 1.887 170 HG23 VAL 23 HG23 VAL 23 -0.607 -9.298 1.431 171 H ASN 24 HN ASN 24 2.186 -11.245 1.956 172 HA ASN 24 HA ASN 24 0.517 -13.500 1.169 173 HB2 ASN 24 HB2 ASN 24 1.412 -14.652 3.127 174 HB3 ASN 24 HB1 ASN 24 2.719 -13.952 2.191 175 HD21 ASN 24 HD21 ASN 24 2.833 -14.787 4.903 176 HD22 ASN 24 HD22 ASN 24 3.213 -13.403 5.862 177 H GLN 25 HN GLN 25 -0.907 -14.460 2.843 178 HA GLN 25 HA GLN 25 -3.040 -12.640 3.392 179 HB2 GLN 25 HB2 GLN 25 -2.678 -15.569 4.168 180 HB3 GLN 25 HB1 GLN 25 -4.142 -14.660 4.496 181 HG2 GLN 25 HG2 GLN 25 -4.551 -15.962 2.558 182 HG3 GLN 25 HG1 GLN 25 -4.391 -14.286 2.029 183 HE21 GLN 25 HE21 GLN 25 -2.664 -13.755 0.674 184 HE22 GLN 25 HE22 GLN 25 -1.666 -14.931 -0.081 185 H SER 26 HN SER 26 -0.414 -13.887 5.302 186 HA SER 26 HA SER 26 -1.343 -13.317 7.919 187 HB2 SER 26 HB2 SER 26 1.562 -13.325 6.978 188 HB3 SER 26 HB1 SER 26 0.959 -13.674 8.601 189 HG SER 26 HG SER 26 1.240 -15.647 7.755 190 H ALA 27 HN ALA 27 0.452 -11.385 5.527 191 HA ALA 27 HA ALA 27 1.086 -9.144 7.138 192 HB1 ALA 27 HB1 ALA 27 1.481 -7.929 5.034 193 HB2 ALA 27 HB2 ALA 27 0.673 -9.213 4.123 194 HB3 ALA 27 HB3 ALA 27 2.181 -9.546 4.972 195 H ILE 28 HN ILE 28 -1.697 -9.880 5.084 196 HA ILE 28 HA ILE 28 -3.051 -7.405 5.208 197 HB ILE 28 HB ILE 28 -4.158 -10.233 4.848 198 HG12 ILE 28 HG12 ILE 28 -2.468 -9.587 3.160 199 HG13 ILE 28 HG11 ILE 28 -4.064 -9.753 2.442 200 HG21 ILE 28 HG21 ILE 28 -6.115 -9.200 3.770 201 HG22 ILE 28 HG22 ILE 28 -5.509 -7.594 4.174 202 HG23 ILE 28 HG23 ILE 28 -5.989 -8.706 5.460 203 HD11 ILE 28 HD11 ILE 28 -4.301 -7.304 2.448 204 HD12 ILE 28 HD12 ILE 28 -2.908 -7.854 1.520 205 HD13 ILE 28 HD13 ILE 28 -2.676 -7.165 3.125 206 H SER 29 HN SER 29 -3.231 -10.288 7.270 207 HA SER 29 HA SER 29 -5.282 -9.454 8.998 208 HB2 SER 29 HB2 SER 29 -2.931 -11.290 9.600 209 HB3 SER 29 HB1 SER 29 -4.464 -11.229 10.484 210 HG SER 29 HG SER 29 -4.798 -12.815 9.053 211 H GLN 30 HN GLN 30 -1.802 -8.842 9.039 212 HA GLN 30 HA GLN 30 -1.671 -7.477 11.560 213 HB2 GLN 30 HB2 GLN 30 0.197 -7.272 9.151 214 HB3 GLN 30 HB1 GLN 30 0.563 -6.704 10.781 215 HG2 GLN 30 HG2 GLN 30 0.508 -9.001 11.624 216 HG3 GLN 30 HG1 GLN 30 0.043 -9.599 10.033 217 HE21 GLN 30 HE21 GLN 30 1.903 -7.837 8.575 218 HE22 GLN 30 HE22 GLN 30 3.476 -8.493 8.844 219 H TRP 31 HN TRP 31 -2.054 -6.448 8.195 220 HA TRP 31 HA TRP 31 -1.878 -3.648 8.577 221 HB2 TRP 31 HB2 TRP 31 -3.099 -5.318 6.339 222 HB3 TRP 31 HB1 TRP 31 -2.985 -3.563 6.274 223 HD1 TRP 31 HD1 TRP 31 0.187 -4.553 7.798 224 HE1 TRP 31 HE1 TRP 31 2.043 -4.733 6.028 225 HE3 TRP 31 HE3 TRP 31 -2.675 -4.649 3.530 226 HZ2 TRP 31 HZ2 TRP 31 2.284 -4.886 3.241 227 HZ3 TRP 31 HZ3 TRP 31 -1.545 -4.802 1.360 228 HH2 TRP 31 HH2 TRP 31 0.887 -4.921 1.219 229 H ARG 32 HN ARG 32 -4.498 -5.930 8.743 230 HA ARG 32 HA ARG 32 -6.658 -4.020 8.683 231 HB2 ARG 32 HB2 ARG 32 -6.957 -6.282 7.769 232 HB3 ARG 32 HB1 ARG 32 -6.585 -7.005 9.334 233 HG2 ARG 32 HG2 ARG 32 -8.622 -6.079 10.298 234 HG3 ARG 32 HG1 ARG 32 -8.971 -5.198 8.806 235 HD2 ARG 32 HD2 ARG 32 -10.350 -7.198 8.964 236 HD3 ARG 32 HD1 ARG 32 -9.229 -7.338 7.609 237 HE ARG 32 HE ARG 32 -7.916 -8.594 9.619 238 HH11 ARG 32 HH11 ARG 32 -11.211 -10.688 8.626 239 HH12 ARG 32 HH12 ARG 32 -11.128 -8.991 8.254 240 HH21 ARG 32 HH21 ARG 32 -8.047 -10.800 10.136 241 HH22 ARG 32 HH22 ARG 32 -9.455 -11.712 9.700 242 H ALA 33 HN ALA 33 -5.050 -6.044 11.130 243 HA ALA 33 HA ALA 33 -6.540 -5.150 13.366 244 HB1 ALA 33 HB1 ALA 33 -5.193 -7.207 13.423 245 HB2 ALA 33 HB2 ALA 33 -4.716 -6.123 14.731 246 HB3 ALA 33 HB3 ALA 33 -3.707 -6.264 13.285 247 H ARG 34 HN ARG 34 -3.720 -3.908 11.702 248 HA ARG 34 HA ARG 34 -2.997 -1.794 13.495 249 HB2 ARG 34 HB2 ARG 34 -1.515 -2.877 11.769 250 HB3 ARG 34 HB1 ARG 34 -2.510 -2.180 10.501 251 HG2 ARG 34 HG2 ARG 34 -0.599 -0.836 10.634 252 HG3 ARG 34 HG1 ARG 34 -1.867 0.098 11.412 253 HD2 ARG 34 HD2 ARG 34 -1.009 -0.381 13.592 254 HD3 ARG 34 HD1 ARG 34 0.107 -1.602 12.976 255 HE ARG 34 HE ARG 34 0.409 1.301 12.890 256 HH11 ARG 34 HH11 ARG 34 1.678 -1.802 11.836 257 HH12 ARG 34 HH12 ARG 34 3.248 -1.171 11.456 258 HH21 ARG 34 HH21 ARG 34 2.484 2.108 12.428 259 HH22 ARG 34 HH22 ARG 34 3.707 1.057 11.794 260 H GLY 35 HN GLY 35 -5.118 -2.196 10.736 261 HA2 GLY 35 HA2 GLY 35 -6.930 -1.009 9.953 262 HA3 GLY 35 HA1 GLY 35 -6.723 0.140 11.268 263 H ARG 36 HN ARG 36 -3.957 -0.517 9.330 264 HA ARG 36 HA ARG 36 -4.268 1.513 7.332 265 HB2 ARG 36 HB2 ARG 36 -3.958 2.913 9.406 266 HB3 ARG 36 HB1 ARG 36 -2.396 2.157 9.671 267 HG2 ARG 36 HG2 ARG 36 -1.422 3.247 7.814 268 HG3 ARG 36 HG1 ARG 36 -2.989 3.650 7.103 269 HD2 ARG 36 HD2 ARG 36 -1.831 5.610 8.136 270 HD3 ARG 36 HD1 ARG 36 -3.426 5.301 8.818 271 HE ARG 36 HE ARG 36 -0.867 4.591 10.144 272 HH11 ARG 36 HH11 ARG 36 -4.156 5.782 12.140 273 HH12 ARG 36 HH12 ARG 36 -4.227 5.631 10.412 274 HH21 ARG 36 HH21 ARG 36 -0.806 4.779 12.403 275 HH22 ARG 36 HH22 ARG 36 -2.216 5.298 13.268 276 H VAL 37 HN VAL 37 -2.736 1.243 5.761 277 HA VAL 37 HA VAL 37 -0.944 -1.091 6.046 278 HB VAL 37 HB VAL 37 -1.002 -1.209 3.571 279 HG11 VAL 37 HG11 VAL 37 -3.361 -1.850 3.291 280 HG12 VAL 37 HG12 VAL 37 -3.778 -1.001 4.784 281 HG13 VAL 37 HG13 VAL 37 -2.719 -2.412 4.834 282 HG21 VAL 37 HG21 VAL 37 -2.504 0.254 2.251 283 HG22 VAL 37 HG22 VAL 37 -1.232 1.183 3.040 284 HG23 VAL 37 HG23 VAL 37 -2.867 1.198 3.701 285 HA PRO 38 HA PRO 38 2.855 1.386 5.085 286 HB2 PRO 38 HB2 PRO 38 3.432 -1.014 3.311 287 HB3 PRO 38 HB1 PRO 38 4.479 -0.203 4.500 288 HG2 PRO 38 HG2 PRO 38 3.385 -2.515 5.117 289 HG3 PRO 38 HG1 PRO 38 3.424 -1.210 6.330 290 HD2 PRO 38 HD2 PRO 38 1.118 -2.112 4.603 291 HD3 PRO 38 HD1 PRO 38 1.135 -1.684 6.329 292 H ALA 39 HN ALA 39 3.991 2.146 3.086 293 HA ALA 39 HA ALA 39 2.252 3.616 1.511 294 HB1 ALA 39 HB1 ALA 39 4.552 4.295 1.966 295 HB2 ALA 39 HB2 ALA 39 4.256 4.294 0.228 296 HB3 ALA 39 HB3 ALA 39 5.180 2.981 0.966 297 H GLY 40 HN GLY 40 1.471 3.442 -0.603 298 HA2 GLY 40 HA2 GLY 40 1.444 2.836 -2.849 299 HA3 GLY 40 HA1 GLY 40 2.518 1.494 -2.508 300 H ARG 41 HN ARG 41 0.205 1.050 -0.217 301 HA ARG 41 HA ARG 41 -1.130 -0.899 -2.002 302 HB2 ARG 41 HB2 ARG 41 -0.312 -1.180 0.907 303 HB3 ARG 41 HB1 ARG 41 -1.370 -2.326 0.093 304 HG2 ARG 41 HG2 ARG 41 1.461 -1.689 -0.794 305 HG3 ARG 41 HG1 ARG 41 0.998 -3.064 0.216 306 HD2 ARG 41 HD2 ARG 41 1.268 -3.846 -2.035 307 HD3 ARG 41 HD1 ARG 41 -0.440 -3.897 -1.635 308 HE ARG 41 HE ARG 41 -0.779 -1.944 -3.082 309 HH11 ARG 41 HH11 ARG 41 2.524 -3.054 -5.114 310 HH12 ARG 41 HH12 ARG 41 2.301 -3.645 -3.502 311 HH21 ARG 41 HH21 ARG 41 0.983 -1.683 -6.077 312 HH22 ARG 41 HH22 ARG 41 -0.446 -1.208 -5.207 313 H CYS 42 HN CYS 42 -1.860 1.680 0.197 314 HA CYS 42 HA CYS 42 -4.610 0.950 0.646 315 HB2 CYS 42 HB2 CYS 42 -3.695 2.635 2.079 316 HB3 CYS 42 HB1 CYS 42 -3.222 3.639 0.714 317 H ILE 43 HN ILE 43 -2.802 2.511 -1.909 318 HA ILE 43 HA ILE 43 -4.706 3.795 -3.442 319 HB ILE 43 HB ILE 43 -2.393 2.074 -4.467 320 HG12 ILE 43 HG12 ILE 43 -1.601 3.765 -2.868 321 HG13 ILE 43 HG11 ILE 43 -1.072 4.181 -4.490 322 HG21 ILE 43 HG21 ILE 43 -3.886 4.319 -5.870 323 HG22 ILE 43 HG22 ILE 43 -3.935 2.605 -6.289 324 HG23 ILE 43 HG23 ILE 43 -2.438 3.516 -6.483 325 HD11 ILE 43 HD11 ILE 43 -2.852 5.883 -4.618 326 HD12 ILE 43 HD12 ILE 43 -1.755 6.157 -3.268 327 HD13 ILE 43 HD13 ILE 43 -3.353 5.474 -2.973 328 H ASP 44 HN ASP 44 -3.814 0.325 -3.539 329 HA ASP 44 HA ASP 44 -5.836 -0.396 -5.447 330 HB2 ASP 44 HB2 ASP 44 -4.406 -2.237 -3.498 331 HB3 ASP 44 HB1 ASP 44 -5.167 -2.694 -5.023 332 H ILE 45 HN ILE 45 -5.632 -0.574 -1.907 333 HA ILE 45 HA ILE 45 -8.062 -1.942 -1.467 334 HB ILE 45 HB ILE 45 -6.437 -0.128 0.381 335 HG12 ILE 45 HG12 ILE 45 -6.675 -3.183 0.168 336 HG13 ILE 45 HG11 ILE 45 -5.272 -2.214 -0.276 337 HG21 ILE 45 HG21 ILE 45 -8.752 -1.937 1.142 338 HG22 ILE 45 HG22 ILE 45 -8.776 -0.171 1.158 339 HG23 ILE 45 HG23 ILE 45 -7.718 -1.044 2.261 340 HD11 ILE 45 HD11 ILE 45 -5.036 -1.572 2.117 341 HD12 ILE 45 HD12 ILE 45 -4.853 -3.297 1.810 342 HD13 ILE 45 HD13 ILE 45 -6.355 -2.684 2.509 343 H GLU 46 HN GLU 46 -7.410 1.436 -2.182 344 HA GLU 46 HA GLU 46 -9.952 2.533 -1.392 345 HB2 GLU 46 HB2 GLU 46 -7.789 3.580 -3.267 346 HB3 GLU 46 HB1 GLU 46 -9.257 4.482 -2.892 347 HG2 GLU 46 HG2 GLU 46 -8.655 4.667 -0.581 348 HG3 GLU 46 HG1 GLU 46 -7.294 3.568 -0.782 349 H LEU 47 HN LEU 47 -8.591 1.196 -4.378 350 HA LEU 47 HA LEU 47 -10.755 1.541 -6.137 351 HB2 LEU 47 HB2 LEU 47 -8.948 -0.901 -5.873 352 HB3 LEU 47 HB1 LEU 47 -9.949 -0.541 -7.267 353 HG LEU 47 HG LEU 47 -7.649 1.243 -6.362 354 HD11 LEU 47 HD11 LEU 47 -7.616 -0.872 -8.550 355 HD12 LEU 47 HD12 LEU 47 -6.775 -0.983 -7.003 356 HD13 LEU 47 HD13 LEU 47 -6.311 0.256 -8.166 357 HD21 LEU 47 HD21 LEU 47 -9.220 1.113 -8.944 358 HD22 LEU 47 HD22 LEU 47 -7.865 2.201 -8.611 359 HD23 LEU 47 HD23 LEU 47 -9.367 2.363 -7.704 360 H TYR 48 HN TYR 48 -10.265 -0.694 -3.469 361 HA TYR 48 HA TYR 48 -12.712 -2.214 -4.065 362 HB2 TYR 48 HB2 TYR 48 -10.823 -2.928 -1.800 363 HB3 TYR 48 HB1 TYR 48 -11.871 -3.987 -2.745 364 HD1 TYR 48 HD1 TYR 48 -8.777 -4.185 -2.022 365 HD2 TYR 48 HD2 TYR 48 -10.886 -2.981 -5.543 366 HE1 TYR 48 HE1 TYR 48 -6.822 -4.760 -3.390 367 HE2 TYR 48 HE2 TYR 48 -8.923 -3.527 -6.914 368 HH TYR 48 HH TYR 48 -6.463 -3.766 -6.595 369 H THR 49 HN THR 49 -11.957 0.495 -2.258 370 HA THR 49 HA THR 49 -14.301 0.094 -0.465 371 HB THR 49 HB THR 49 -13.191 1.411 1.313 372 HG1 THR 49 HG1 THR 49 -10.698 1.264 0.029 373 HG21 THR 49 HG21 THR 49 -11.387 -0.879 0.433 374 HG22 THR 49 HG22 THR 49 -12.873 -1.050 1.367 375 HG23 THR 49 HG23 THR 49 -11.495 -0.197 2.056 376 H ASP 50 HN ASP 50 -14.323 1.177 -3.012 377 HA ASP 50 HA ASP 50 -13.586 3.717 -3.597 378 HB2 ASP 50 HB2 ASP 50 -14.456 2.145 -5.257 379 HB3 ASP 50 HB1 ASP 50 -16.069 2.241 -4.557 380 H GLY 51 HN GLY 51 -16.903 2.918 -2.459 381 HA2 GLY 51 HA2 GLY 51 -17.240 5.747 -1.547 382 HA3 GLY 51 HA1 GLY 51 -18.544 4.735 -2.151 383 H ARG 52 HN ARG 52 -16.326 3.054 -0.184 384 HA ARG 52 HA ARG 52 -18.358 2.802 1.918 385 HB2 ARG 52 HB2 ARG 52 -15.986 1.122 1.062 386 HB3 ARG 52 HB1 ARG 52 -16.673 0.901 2.669 387 HG2 ARG 52 HG2 ARG 52 -18.225 0.629 0.068 388 HG3 ARG 52 HG1 ARG 52 -17.576 -0.707 1.024 389 HD2 ARG 52 HD2 ARG 52 -19.003 -0.043 2.932 390 HD3 ARG 52 HD1 ARG 52 -19.648 1.303 1.988 391 HE ARG 52 HE ARG 52 -19.996 -1.455 1.019 392 HH11 ARG 52 HH11 ARG 52 -21.471 1.491 2.292 393 HH12 ARG 52 HH12 ARG 52 -23.084 0.982 1.908 394 HH21 ARG 52 HH21 ARG 52 -23.447 -1.068 0.948 395 HH22 ARG 52 HH22 ARG 52 -22.118 -2.125 0.599 396 H VAL 53 HN VAL 53 -14.804 3.412 1.730 397 HA VAL 53 HA VAL 53 -14.937 5.054 4.142 398 HB VAL 53 HB VAL 53 -14.619 2.720 5.025 399 HG11 VAL 53 HG11 VAL 53 -13.372 1.750 3.161 400 HG12 VAL 53 HG12 VAL 53 -12.515 1.517 4.682 401 HG13 VAL 53 HG13 VAL 53 -11.970 2.755 3.545 402 HG21 VAL 53 HG21 VAL 53 -13.768 4.607 6.345 403 HG22 VAL 53 HG22 VAL 53 -12.224 4.542 5.496 404 HG23 VAL 53 HG23 VAL 53 -12.719 3.203 6.536 405 H GLU 54 HN GLU 54 -13.273 6.520 4.288 406 HA GLU 54 HA GLU 54 -11.565 6.915 1.974 407 HB2 GLU 54 HB2 GLU 54 -12.829 8.695 3.509 408 HB3 GLU 54 HB1 GLU 54 -11.402 8.566 4.523 409 HG2 GLU 54 HG2 GLU 54 -11.258 9.235 1.576 410 HG3 GLU 54 HG1 GLU 54 -11.501 10.471 2.796 411 H CYS 55 HN CYS 55 -10.064 5.348 1.893 412 HA CYS 55 HA CYS 55 -8.701 4.207 4.152 413 HB2 CYS 55 HB2 CYS 55 -9.156 2.763 2.314 414 HB3 CYS 55 HB1 CYS 55 -8.476 3.888 1.155 415 H ARG 56 HN ARG 56 -6.514 4.402 4.745 416 HA ARG 56 HA ARG 56 -4.841 6.409 3.344 417 HB2 ARG 56 HB2 ARG 56 -5.042 6.152 6.386 418 HB3 ARG 56 HB1 ARG 56 -3.853 7.124 5.528 419 HG2 ARG 56 HG2 ARG 56 -5.405 8.738 6.123 420 HG3 ARG 56 HG1 ARG 56 -5.930 8.334 4.491 421 HD2 ARG 56 HD2 ARG 56 -7.649 6.796 5.487 422 HD3 ARG 56 HD1 ARG 56 -7.162 7.357 7.090 423 HE ARG 56 HE ARG 56 -7.913 9.465 5.264 424 HH11 ARG 56 HH11 ARG 56 -9.175 7.210 7.647 425 HH12 ARG 56 HH12 ARG 56 -10.576 8.173 7.976 426 HH21 ARG 56 HH21 ARG 56 -10.914 10.122 6.843 427 HH22 ARG 56 HH22 ARG 56 -9.771 10.647 5.644 428 H GLU 57 HN GLU 57 -2.714 5.955 3.156 429 HA GLU 57 HA GLU 57 -1.615 3.469 4.330 430 HB2 GLU 57 HB2 GLU 57 0.086 3.616 2.413 431 HB3 GLU 57 HB1 GLU 57 -1.551 3.163 1.971 432 HG2 GLU 57 HG2 GLU 57 -1.990 5.474 1.229 433 HG3 GLU 57 HG1 GLU 57 -0.331 5.911 1.648 434 H LEU 58 HN LEU 58 0.760 3.571 4.611 435 HA LEU 58 HA LEU 58 1.431 5.940 6.148 436 HB2 LEU 58 HB2 LEU 58 2.667 3.173 5.947 437 HB3 LEU 58 HB1 LEU 58 3.372 4.465 6.911 438 HG LEU 58 HG LEU 58 0.579 3.345 7.364 439 HD11 LEU 58 HD11 LEU 58 1.482 2.172 9.314 440 HD12 LEU 58 HD12 LEU 58 3.116 2.713 8.911 441 HD13 LEU 58 HD13 LEU 58 2.255 1.613 7.832 442 HD21 LEU 58 HD21 LEU 58 0.819 5.652 8.111 443 HD22 LEU 58 HD22 LEU 58 2.262 5.236 9.037 444 HD23 LEU 58 HD23 LEU 58 0.691 4.574 9.498 445 H ARG 59 HN ARG 59 2.669 7.475 5.332 446 HA ARG 59 HA ARG 59 3.596 7.515 2.693 447 HB2 ARG 59 HB2 ARG 59 4.642 9.679 3.324 448 HB3 ARG 59 HB1 ARG 59 2.978 9.541 3.899 449 HG2 ARG 59 HG2 ARG 59 3.886 8.901 6.166 450 HG3 ARG 59 HG1 ARG 59 5.504 9.265 5.557 451 HD2 ARG 59 HD2 ARG 59 4.622 11.171 6.809 452 HD3 ARG 59 HD1 ARG 59 4.797 11.600 5.107 453 HE ARG 59 HE ARG 59 2.361 11.263 4.881 454 HH11 ARG 59 HH11 ARG 59 3.601 11.901 8.115 455 HH12 ARG 59 HH12 ARG 59 2.091 12.530 8.686 456 HH21 ARG 59 HH21 ARG 59 0.280 12.666 7.288 457 HH22 ARG 59 HH22 ARG 59 0.405 12.126 5.643 458 HA PRO 60 HA PRO 60 7.602 5.665 2.380 459 HB2 PRO 60 HB2 PRO 60 9.304 7.788 1.588 460 HB3 PRO 60 HB1 PRO 60 8.304 6.800 0.509 461 HG2 PRO 60 HG2 PRO 60 7.698 9.490 1.693 462 HG3 PRO 60 HG1 PRO 60 7.390 8.886 0.048 463 HD2 PRO 60 HD2 PRO 60 5.394 9.040 1.805 464 HD3 PRO 60 HD1 PRO 60 5.522 7.618 0.729 465 H ASP 61 HN ASP 61 7.445 8.528 4.367 466 HA ASP 61 HA ASP 61 9.807 8.260 5.896 467 HB2 ASP 61 HB2 ASP 61 8.339 10.302 5.857 468 HB3 ASP 61 HB1 ASP 61 7.113 9.427 6.769 469 H VAL 62 HN VAL 62 6.447 7.204 6.622 470 HA VAL 62 HA VAL 62 7.402 5.372 8.724 471 HB VAL 62 HB VAL 62 4.480 5.737 7.906 472 HG11 VAL 62 HG11 VAL 62 4.000 5.053 10.230 473 HG12 VAL 62 HG12 VAL 62 5.727 4.890 10.555 474 HG13 VAL 62 HG13 VAL 62 4.944 3.825 9.384 475 HG21 VAL 62 HG21 VAL 62 5.344 7.983 8.353 476 HG22 VAL 62 HG22 VAL 62 5.969 7.456 9.917 477 HG23 VAL 62 HG23 VAL 62 4.228 7.476 9.623 478 H PHE 63 HN PHE 63 8.527 4.362 6.754 479 HA PHE 63 HA PHE 63 6.963 2.055 5.794 480 HB2 PHE 63 HB2 PHE 63 6.944 3.929 4.054 481 HB3 PHE 63 HB1 PHE 63 8.690 3.767 3.947 482 HD1 PHE 63 HD1 PHE 63 5.705 1.464 3.847 483 HD2 PHE 63 HD2 PHE 63 9.404 2.596 2.017 484 HE1 PHE 63 HE1 PHE 63 5.365 -0.233 2.097 485 HE2 PHE 63 HE2 PHE 63 9.048 0.888 0.271 486 HZ PHE 63 HZ PHE 63 7.030 -0.521 0.312 487 H GLY 64 HN GLY 64 9.478 3.072 7.520 488 HA2 GLY 64 HA2 GLY 64 10.890 0.842 7.979 489 HA3 GLY 64 HA1 GLY 64 11.643 1.424 6.492 490 H ALA 65 HN ALA 65 10.509 2.759 9.585 491 HA ALA 65 HA ALA 65 13.066 4.136 10.019 492 HB1 ALA 65 HB1 ALA 65 11.894 6.257 10.554 493 HB2 ALA 65 HB2 ALA 65 10.349 5.530 10.100 494 HB3 ALA 65 HB3 ALA 65 11.602 5.777 8.884 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -14.674 -2.721 12.344 2 H2 MET 1 HT2 MET 1 -14.703 -1.118 11.813 3 H3 MET 1 HT3 MET 1 -13.244 -1.826 12.274 4 HA MET 1 HA MET 1 -13.280 -3.317 10.471 5 HB2 MET 1 HB2 MET 1 -15.693 -3.679 10.340 6 HB3 MET 1 HB1 MET 1 -15.946 -2.035 9.775 7 HG2 MET 1 HG2 MET 1 -14.877 -2.516 7.671 8 HG3 MET 1 HG1 MET 1 -14.331 -4.091 8.242 9 HE1 MET 1 HE1 MET 1 -15.946 -6.130 8.722 10 HE2 MET 1 HE2 MET 1 -17.691 -6.076 8.478 11 HE3 MET 1 HE3 MET 1 -16.960 -5.152 9.787 12 H ASN 2 HN ASN 2 -11.562 -2.416 9.654 13 HA ASN 2 HA ASN 2 -11.362 0.360 8.771 14 HB2 ASN 2 HB2 ASN 2 -8.933 -0.341 8.317 15 HB3 ASN 2 HB1 ASN 2 -9.465 -0.429 9.991 16 HD21 ASN 2 HD21 ASN 2 -9.669 -2.419 10.956 17 HD22 ASN 2 HD22 ASN 2 -9.044 -3.865 10.261 18 H ALA 3 HN ALA 3 -10.266 0.834 6.710 19 HA ALA 3 HA ALA 3 -11.590 0.118 4.430 20 HB1 ALA 3 HB1 ALA 3 -10.160 2.111 4.633 21 HB2 ALA 3 HB2 ALA 3 -9.748 1.183 3.188 22 HB3 ALA 3 HB3 ALA 3 -8.722 1.090 4.622 23 H ILE 4 HN ILE 4 -8.733 -1.472 5.779 24 HA ILE 4 HA ILE 4 -8.065 -3.079 3.525 25 HB ILE 4 HB ILE 4 -7.475 -3.750 6.448 26 HG12 ILE 4 HG12 ILE 4 -5.127 -2.740 5.882 27 HG13 ILE 4 HG11 ILE 4 -5.945 -1.919 4.564 28 HG21 ILE 4 HG21 ILE 4 -7.132 -5.641 4.920 29 HG22 ILE 4 HG22 ILE 4 -5.597 -5.073 5.577 30 HG23 ILE 4 HG23 ILE 4 -6.054 -4.651 3.926 31 HD11 ILE 4 HD11 ILE 4 -5.667 -0.451 6.461 32 HD12 ILE 4 HD12 ILE 4 -6.504 -1.592 7.513 33 HD13 ILE 4 HD13 ILE 4 -7.388 -0.778 6.222 34 H ASP 5 HN ASP 5 -10.053 -3.514 6.413 35 HA ASP 5 HA ASP 5 -10.776 -6.238 5.968 36 HB2 ASP 5 HB2 ASP 5 -10.716 -5.094 8.227 37 HB3 ASP 5 HB1 ASP 5 -12.170 -4.213 7.770 38 H ILE 6 HN ILE 6 -12.154 -3.153 5.046 39 HA ILE 6 HA ILE 6 -14.663 -4.059 4.064 40 HB ILE 6 HB ILE 6 -12.952 -1.629 3.348 41 HG12 ILE 6 HG12 ILE 6 -13.953 -1.655 5.637 42 HG13 ILE 6 HG11 ILE 6 -14.584 -0.343 4.652 43 HG21 ILE 6 HG21 ILE 6 -14.927 -0.678 2.159 44 HG22 ILE 6 HG22 ILE 6 -15.751 -2.230 2.311 45 HG23 ILE 6 HG23 ILE 6 -14.275 -2.108 1.353 46 HD11 ILE 6 HD11 ILE 6 -16.314 -1.371 5.991 47 HD12 ILE 6 HD12 ILE 6 -16.004 -2.939 5.249 48 HD13 ILE 6 HD13 ILE 6 -16.644 -1.610 4.276 49 H ALA 7 HN ALA 7 -11.412 -3.740 2.626 50 HA ALA 7 HA ALA 7 -12.148 -4.521 -0.025 51 HB1 ALA 7 HB1 ALA 7 -9.412 -4.515 1.294 52 HB2 ALA 7 HB2 ALA 7 -10.162 -3.155 0.455 53 HB3 ALA 7 HB3 ALA 7 -9.748 -4.613 -0.447 54 H ILE 8 HN ILE 8 -11.078 -6.284 2.850 55 HA ILE 8 HA ILE 8 -10.688 -8.865 1.748 56 HB ILE 8 HB ILE 8 -11.699 -8.068 4.532 57 HG12 ILE 8 HG12 ILE 8 -8.892 -8.894 3.663 58 HG13 ILE 8 HG11 ILE 8 -9.414 -7.234 3.877 59 HG21 ILE 8 HG21 ILE 8 -11.032 -10.346 5.286 60 HG22 ILE 8 HG22 ILE 8 -10.677 -10.789 3.616 61 HG23 ILE 8 HG23 ILE 8 -12.332 -10.403 4.089 62 HD11 ILE 8 HD11 ILE 8 -9.162 -9.330 6.010 63 HD12 ILE 8 HD12 ILE 8 -9.841 -7.721 6.263 64 HD13 ILE 8 HD13 ILE 8 -8.156 -7.901 5.773 65 H ASN 9 HN ASN 9 -13.541 -7.228 3.052 66 HA ASN 9 HA ASN 9 -15.424 -9.323 2.643 67 HB2 ASN 9 HB2 ASN 9 -15.814 -7.532 4.297 68 HB3 ASN 9 HB1 ASN 9 -15.834 -6.313 3.024 69 HD21 ASN 9 HD21 ASN 9 -17.680 -6.144 1.699 70 HD22 ASN 9 HD22 ASN 9 -19.184 -6.889 2.109 71 H LYS 10 HN LYS 10 -14.231 -6.673 0.669 72 HA LYS 10 HA LYS 10 -16.404 -6.612 -1.189 73 HB2 LYS 10 HB2 LYS 10 -14.735 -4.703 -0.537 74 HB3 LYS 10 HB1 LYS 10 -13.641 -5.409 -1.721 75 HG2 LYS 10 HG2 LYS 10 -16.474 -4.626 -2.457 76 HG3 LYS 10 HG1 LYS 10 -15.177 -3.437 -2.441 77 HD2 LYS 10 HD2 LYS 10 -13.946 -4.688 -4.149 78 HD3 LYS 10 HD1 LYS 10 -15.153 -5.985 -4.108 79 HE2 LYS 10 HE2 LYS 10 -16.876 -4.385 -4.907 80 HE3 LYS 10 HE1 LYS 10 -15.644 -3.121 -4.994 81 HZ1 LYS 10 HZ1 LYS 10 -14.449 -4.494 -6.609 82 HZ2 LYS 10 HZ2 LYS 10 -15.994 -4.082 -7.145 83 HZ3 LYS 10 HZ3 LYS 10 -15.691 -5.639 -6.567 84 H LEU 11 HN LEU 11 -13.029 -7.838 -1.359 85 HA LEU 11 HA LEU 11 -13.479 -9.157 -3.905 86 HB2 LEU 11 HB2 LEU 11 -11.112 -9.539 -2.017 87 HB3 LEU 11 HB1 LEU 11 -11.213 -10.030 -3.698 88 HG LEU 11 HG LEU 11 -10.758 -7.278 -2.548 89 HD11 LEU 11 HD11 LEU 11 -8.990 -7.167 -4.242 90 HD12 LEU 11 HD12 LEU 11 -9.454 -8.756 -4.856 91 HD13 LEU 11 HD13 LEU 11 -8.820 -8.591 -3.220 92 HD21 LEU 11 HD21 LEU 11 -11.881 -7.700 -5.334 93 HD22 LEU 11 HD22 LEU 11 -11.208 -6.194 -4.697 94 HD23 LEU 11 HD23 LEU 11 -12.667 -6.869 -3.986 95 H GLY 12 HN GLY 12 -14.062 -9.908 -0.630 96 HA2 GLY 12 HA2 GLY 12 -15.478 -11.613 0.065 97 HA3 GLY 12 HA1 GLY 12 -15.126 -12.519 -1.397 98 H SER 13 HN SER 13 -12.145 -11.619 -0.315 99 HA SER 13 HA SER 13 -11.682 -13.460 1.820 100 HB2 SER 13 HB2 SER 13 -10.302 -15.118 0.512 101 HB3 SER 13 HB1 SER 13 -12.004 -15.156 0.069 102 HG SER 13 HG SER 13 -11.560 -14.092 -1.789 103 H VAL 14 HN VAL 14 -9.482 -13.648 2.415 104 HA VAL 14 HA VAL 14 -7.789 -11.365 1.850 105 HB VAL 14 HB VAL 14 -7.651 -13.690 3.823 106 HG11 VAL 14 HG11 VAL 14 -5.321 -13.345 3.110 107 HG12 VAL 14 HG12 VAL 14 -5.553 -12.774 4.763 108 HG13 VAL 14 HG13 VAL 14 -5.464 -11.618 3.432 109 HG21 VAL 14 HG21 VAL 14 -7.721 -11.851 5.496 110 HG22 VAL 14 HG22 VAL 14 -9.113 -11.818 4.411 111 HG23 VAL 14 HG23 VAL 14 -7.783 -10.673 4.170 112 H SER 15 HN SER 15 -7.996 -14.777 1.007 113 HA SER 15 HA SER 15 -5.414 -15.135 -0.062 114 HB2 SER 15 HB2 SER 15 -6.496 -16.995 -1.392 115 HB3 SER 15 HB1 SER 15 -6.828 -17.054 0.340 116 HG SER 15 HG SER 15 -8.740 -17.381 -0.782 117 H ALA 16 HN ALA 16 -8.454 -13.994 -1.551 118 HA ALA 16 HA ALA 16 -7.363 -13.398 -4.122 119 HB1 ALA 16 HB1 ALA 16 -9.879 -12.308 -2.812 120 HB2 ALA 16 HB2 ALA 16 -9.771 -13.756 -3.811 121 HB3 ALA 16 HB3 ALA 16 -9.461 -12.176 -4.529 122 H LEU 17 HN LEU 17 -8.017 -11.431 -1.204 123 HA LEU 17 HA LEU 17 -7.468 -8.923 -2.315 124 HB2 LEU 17 HB2 LEU 17 -8.629 -9.219 -0.133 125 HB3 LEU 17 HB1 LEU 17 -7.116 -9.742 0.595 126 HG LEU 17 HG LEU 17 -6.116 -7.533 0.188 127 HD11 LEU 17 HD11 LEU 17 -7.445 -5.630 -0.620 128 HD12 LEU 17 HD12 LEU 17 -8.806 -6.706 -0.947 129 HD13 LEU 17 HD13 LEU 17 -7.297 -6.885 -1.849 130 HD21 LEU 17 HD21 LEU 17 -8.750 -7.257 1.623 131 HD22 LEU 17 HD22 LEU 17 -7.342 -6.200 1.785 132 HD23 LEU 17 HD23 LEU 17 -7.244 -7.883 2.306 133 H ALA 18 HN ALA 18 -5.331 -10.979 -0.353 134 HA ALA 18 HA ALA 18 -3.025 -9.390 -0.434 135 HB1 ALA 18 HB1 ALA 18 -3.447 -11.156 1.207 136 HB2 ALA 18 HB2 ALA 18 -1.888 -11.381 0.410 137 HB3 ALA 18 HB3 ALA 18 -3.271 -12.386 -0.045 138 H ALA 19 HN ALA 19 -4.184 -11.946 -2.589 139 HA ALA 19 HA ALA 19 -1.893 -12.277 -4.202 140 HB1 ALA 19 HB1 ALA 19 -3.421 -13.297 -5.833 141 HB2 ALA 19 HB2 ALA 19 -4.811 -12.628 -4.968 142 HB3 ALA 19 HB3 ALA 19 -3.791 -13.844 -4.198 143 H ALA 20 HN ALA 20 -4.541 -9.944 -4.311 144 HA ALA 20 HA ALA 20 -3.727 -8.709 -6.812 145 HB1 ALA 20 HB1 ALA 20 -5.786 -7.842 -4.748 146 HB2 ALA 20 HB2 ALA 20 -6.094 -8.798 -6.195 147 HB3 ALA 20 HB3 ALA 20 -5.565 -7.126 -6.354 148 H LEU 21 HN LEU 21 -3.229 -8.177 -3.386 149 HA LEU 21 HA LEU 21 -2.062 -5.517 -3.694 150 HB2 LEU 21 HB2 LEU 21 -2.418 -7.304 -1.247 151 HB3 LEU 21 HB1 LEU 21 -1.780 -5.666 -1.201 152 HG LEU 21 HG LEU 21 -4.608 -6.470 -1.987 153 HD11 LEU 21 HD11 LEU 21 -3.555 -5.003 0.440 154 HD12 LEU 21 HD12 LEU 21 -4.339 -6.586 0.378 155 HD13 LEU 21 HD13 LEU 21 -5.266 -5.135 0.005 156 HD21 LEU 21 HD21 LEU 21 -3.381 -3.712 -1.923 157 HD22 LEU 21 HD22 LEU 21 -5.097 -4.076 -2.148 158 HD23 LEU 21 HD23 LEU 21 -3.924 -4.600 -3.351 159 H GLY 22 HN GLY 22 -0.971 -8.690 -3.963 160 HA2 GLY 22 HA2 GLY 22 1.105 -9.537 -4.454 161 HA3 GLY 22 HA1 GLY 22 1.708 -7.888 -4.504 162 H VAL 23 HN VAL 23 0.148 -9.309 -1.720 163 HA VAL 23 HA VAL 23 2.694 -9.439 -0.210 164 HB VAL 23 HB VAL 23 1.531 -8.523 1.785 165 HG11 VAL 23 HG11 VAL 23 2.739 -6.923 0.361 166 HG12 VAL 23 HG12 VAL 23 1.318 -6.165 1.081 167 HG13 VAL 23 HG13 VAL 23 1.289 -6.660 -0.611 168 HG21 VAL 23 HG21 VAL 23 -0.868 -8.106 -0.047 169 HG22 VAL 23 HG22 VAL 23 -0.740 -7.510 1.612 170 HG23 VAL 23 HG23 VAL 23 -0.771 -9.245 1.295 171 H ASN 24 HN ASN 24 2.078 -10.533 2.054 172 HA ASN 24 HA ASN 24 1.144 -13.201 1.493 173 HB2 ASN 24 HB2 ASN 24 2.007 -11.863 4.090 174 HB3 ASN 24 HB1 ASN 24 1.517 -13.547 3.988 175 HD21 ASN 24 HD21 ASN 24 3.451 -14.244 4.730 176 HD22 ASN 24 HD22 ASN 24 4.900 -14.217 3.777 177 H GLN 25 HN GLN 25 -0.489 -14.247 2.745 178 HA GLN 25 HA GLN 25 -2.956 -12.810 3.119 179 HB2 GLN 25 HB2 GLN 25 -2.212 -15.711 3.760 180 HB3 GLN 25 HB1 GLN 25 -3.830 -15.048 3.963 181 HG2 GLN 25 HG2 GLN 25 -3.812 -16.275 1.907 182 HG3 GLN 25 HG1 GLN 25 -3.884 -14.566 1.497 183 HE21 GLN 25 HE21 GLN 25 -2.076 -13.624 0.480 184 HE22 GLN 25 HE22 GLN 25 -0.826 -14.552 -0.239 185 H SER 26 HN SER 26 -0.342 -14.029 5.145 186 HA SER 26 HA SER 26 -1.512 -13.481 7.695 187 HB2 SER 26 HB2 SER 26 0.974 -13.615 8.415 188 HB3 SER 26 HB1 SER 26 0.294 -15.043 7.636 189 HG SER 26 HG SER 26 2.444 -13.824 6.916 190 H ALA 27 HN ALA 27 0.305 -11.573 5.335 191 HA ALA 27 HA ALA 27 0.951 -9.323 6.908 192 HB1 ALA 27 HB1 ALA 27 1.990 -9.763 4.722 193 HB2 ALA 27 HB2 ALA 27 1.290 -8.144 4.778 194 HB3 ALA 27 HB3 ALA 27 0.459 -9.443 3.910 195 H ILE 28 HN ILE 28 -1.900 -10.089 4.928 196 HA ILE 28 HA ILE 28 -3.239 -7.602 5.166 197 HB ILE 28 HB ILE 28 -4.408 -10.384 4.673 198 HG12 ILE 28 HG12 ILE 28 -2.700 -9.725 2.993 199 HG13 ILE 28 HG11 ILE 28 -4.307 -9.805 2.283 200 HG21 ILE 28 HG21 ILE 28 -6.320 -9.200 3.616 201 HG22 ILE 28 HG22 ILE 28 -5.646 -7.655 4.139 202 HG23 ILE 28 HG23 ILE 28 -6.189 -8.831 5.339 203 HD11 ILE 28 HD11 ILE 28 -4.476 -7.370 2.405 204 HD12 ILE 28 HD12 ILE 28 -3.092 -7.912 1.463 205 HD13 ILE 28 HD13 ILE 28 -2.848 -7.303 3.097 206 H SER 29 HN SER 29 -3.415 -10.600 7.063 207 HA SER 29 HA SER 29 -5.441 -9.992 8.862 208 HB2 SER 29 HB2 SER 29 -2.867 -11.510 9.462 209 HB3 SER 29 HB1 SER 29 -4.396 -11.667 10.324 210 HG SER 29 HG SER 29 -3.595 -12.777 7.946 211 H GLN 30 HN GLN 30 -2.015 -9.113 8.927 212 HA GLN 30 HA GLN 30 -1.991 -7.833 11.483 213 HB2 GLN 30 HB2 GLN 30 -0.054 -7.660 9.136 214 HB3 GLN 30 HB1 GLN 30 0.258 -6.979 10.735 215 HG2 GLN 30 HG2 GLN 30 0.235 -9.180 11.749 216 HG3 GLN 30 HG1 GLN 30 -0.266 -9.925 10.229 217 HE21 GLN 30 HE21 GLN 30 1.270 -10.148 8.562 218 HE22 GLN 30 HE22 GLN 30 2.965 -10.018 8.851 219 H TRP 31 HN TRP 31 -2.419 -6.670 8.142 220 HA TRP 31 HA TRP 31 -2.489 -3.874 8.767 221 HB2 TRP 31 HB2 TRP 31 -3.654 -5.364 6.371 222 HB3 TRP 31 HB1 TRP 31 -3.531 -3.612 6.498 223 HD1 TRP 31 HD1 TRP 31 -0.321 -4.554 7.835 224 HE1 TRP 31 HE1 TRP 31 1.481 -4.656 5.992 225 HE3 TRP 31 HE3 TRP 31 -3.336 -4.680 3.711 226 HZ2 TRP 31 HZ2 TRP 31 1.601 -4.778 3.199 227 HZ3 TRP 31 HZ3 TRP 31 -2.303 -4.770 1.502 228 HH2 TRP 31 HH2 TRP 31 0.111 -4.820 1.249 229 H ARG 32 HN ARG 32 -4.854 -6.450 8.765 230 HA ARG 32 HA ARG 32 -7.226 -4.855 8.883 231 HB2 ARG 32 HB2 ARG 32 -7.102 -7.350 8.187 232 HB3 ARG 32 HB1 ARG 32 -6.934 -7.732 9.900 233 HG2 ARG 32 HG2 ARG 32 -9.159 -6.272 10.108 234 HG3 ARG 32 HG1 ARG 32 -9.326 -6.674 8.401 235 HD2 ARG 32 HD2 ARG 32 -9.212 -8.589 10.746 236 HD3 ARG 32 HD1 ARG 32 -10.599 -8.252 9.717 237 HE ARG 32 HE ARG 32 -8.162 -9.612 8.709 238 HH11 ARG 32 HH11 ARG 32 -11.920 -10.890 7.975 239 HH12 ARG 32 HH12 ARG 32 -11.682 -9.490 8.968 240 HH21 ARG 32 HH21 ARG 32 -8.517 -11.477 7.427 241 HH22 ARG 32 HH22 ARG 32 -10.139 -12.005 7.108 242 H ALA 33 HN ALA 33 -4.952 -6.190 11.204 243 HA ALA 33 HA ALA 33 -6.552 -5.495 13.520 244 HB1 ALA 33 HB1 ALA 33 -5.096 -7.477 13.570 245 HB2 ALA 33 HB2 ALA 33 -4.606 -6.322 14.808 246 HB3 ALA 33 HB3 ALA 33 -3.671 -6.468 13.315 247 H ARG 34 HN ARG 34 -3.864 -4.147 11.703 248 HA ARG 34 HA ARG 34 -3.144 -2.056 13.530 249 HB2 ARG 34 HB2 ARG 34 -1.606 -2.990 11.851 250 HB3 ARG 34 HB1 ARG 34 -2.614 -2.351 10.551 251 HG2 ARG 34 HG2 ARG 34 -2.053 -0.125 11.024 252 HG3 ARG 34 HG1 ARG 34 -1.543 -0.500 12.662 253 HD2 ARG 34 HD2 ARG 34 0.421 -0.040 11.462 254 HD3 ARG 34 HD1 ARG 34 0.394 -1.788 11.633 255 HE ARG 34 HE ARG 34 -0.659 -0.584 9.167 256 HH11 ARG 34 HH11 ARG 34 2.534 -3.036 9.170 257 HH12 ARG 34 HH12 ARG 34 1.893 -2.480 10.683 258 HH21 ARG 34 HH21 ARG 34 1.564 -2.380 7.213 259 HH22 ARG 34 HH22 ARG 34 0.184 -1.327 7.212 260 H GLY 35 HN GLY 35 -5.455 -2.419 10.931 261 HA2 GLY 35 HA2 GLY 35 -7.152 -1.095 10.159 262 HA3 GLY 35 HA1 GLY 35 -6.855 0.012 11.487 263 H ARG 36 HN ARG 36 -4.132 -0.712 9.475 264 HA ARG 36 HA ARG 36 -4.451 1.594 7.725 265 HB2 ARG 36 HB2 ARG 36 -3.675 2.427 10.047 266 HB3 ARG 36 HB1 ARG 36 -2.152 1.609 9.738 267 HG2 ARG 36 HG2 ARG 36 -1.593 3.089 7.957 268 HG3 ARG 36 HG1 ARG 36 -3.248 3.700 7.830 269 HD2 ARG 36 HD2 ARG 36 -1.317 4.185 10.123 270 HD3 ARG 36 HD1 ARG 36 -1.826 5.358 8.909 271 HE ARG 36 HE ARG 36 -3.607 4.190 10.977 272 HH11 ARG 36 HH11 ARG 36 -3.966 7.963 9.601 273 HH12 ARG 36 HH12 ARG 36 -2.731 6.936 8.944 274 HH21 ARG 36 HH21 ARG 36 -5.367 7.170 11.222 275 HH22 ARG 36 HH22 ARG 36 -5.210 5.542 11.807 276 H VAL 37 HN VAL 37 -2.992 1.578 5.988 277 HA VAL 37 HA VAL 37 -1.430 -0.920 5.634 278 HB VAL 37 HB VAL 37 -1.474 -0.380 3.167 279 HG11 VAL 37 HG11 VAL 37 -3.098 -1.931 4.125 280 HG12 VAL 37 HG12 VAL 37 -3.798 -1.025 2.784 281 HG13 VAL 37 HG13 VAL 37 -4.209 -0.599 4.448 282 HG21 VAL 37 HG21 VAL 37 -3.400 1.848 3.946 283 HG22 VAL 37 HG22 VAL 37 -3.061 1.309 2.298 284 HG23 VAL 37 HG23 VAL 37 -1.787 2.055 3.262 285 HA PRO 38 HA PRO 38 2.414 1.469 5.212 286 HB2 PRO 38 HB2 PRO 38 3.863 -0.150 3.541 287 HB3 PRO 38 HB1 PRO 38 3.541 -0.594 5.229 288 HG2 PRO 38 HG2 PRO 38 2.164 -1.550 2.749 289 HG3 PRO 38 HG1 PRO 38 2.667 -2.470 4.181 290 HD2 PRO 38 HD2 PRO 38 0.092 -1.608 3.779 291 HD3 PRO 38 HD1 PRO 38 0.788 -1.873 5.391 292 H ALA 39 HN ALA 39 3.783 2.384 3.432 293 HA ALA 39 HA ALA 39 2.370 4.154 1.887 294 HB1 ALA 39 HB1 ALA 39 4.719 4.471 2.556 295 HB2 ALA 39 HB2 ALA 39 4.525 4.726 0.821 296 HB3 ALA 39 HB3 ALA 39 5.230 3.221 1.421 297 H GLY 40 HN GLY 40 1.503 4.144 -0.127 298 HA2 GLY 40 HA2 GLY 40 1.425 3.869 -2.429 299 HA3 GLY 40 HA1 GLY 40 2.507 2.492 -2.318 300 H ARG 41 HN ARG 41 0.460 1.552 -0.072 301 HA ARG 41 HA ARG 41 -0.752 -0.293 -1.965 302 HB2 ARG 41 HB2 ARG 41 0.490 -0.995 0.162 303 HB3 ARG 41 HB1 ARG 41 -0.903 -0.423 1.072 304 HG2 ARG 41 HG2 ARG 41 -1.273 -2.738 0.869 305 HG3 ARG 41 HG1 ARG 41 -2.308 -2.051 -0.378 306 HD2 ARG 41 HD2 ARG 41 0.444 -3.253 -0.843 307 HD3 ARG 41 HD1 ARG 41 -1.084 -4.074 -1.128 308 HE ARG 41 HE ARG 41 -1.385 -1.966 -2.732 309 HH11 ARG 41 HH11 ARG 41 1.963 -3.831 -3.986 310 HH12 ARG 41 HH12 ARG 41 1.432 -4.056 -2.350 311 HH21 ARG 41 HH21 ARG 41 -0.647 -1.743 -4.903 312 HH22 ARG 41 HH22 ARG 41 0.809 -2.541 -5.404 313 H CYS 42 HN CYS 42 -1.827 2.433 -0.104 314 HA CYS 42 HA CYS 42 -4.545 1.750 0.296 315 HB2 CYS 42 HB2 CYS 42 -3.745 3.600 1.530 316 HB3 CYS 42 HB1 CYS 42 -3.124 4.407 0.100 317 H ILE 43 HN ILE 43 -2.830 2.918 -2.541 318 HA ILE 43 HA ILE 43 -4.812 3.846 -4.231 319 HB ILE 43 HB ILE 43 -2.393 2.083 -4.836 320 HG12 ILE 43 HG12 ILE 43 -2.761 5.107 -5.124 321 HG13 ILE 43 HG11 ILE 43 -1.888 4.304 -3.822 322 HG21 ILE 43 HG21 ILE 43 -4.084 3.588 -6.865 323 HG22 ILE 43 HG22 ILE 43 -3.956 1.836 -6.709 324 HG23 ILE 43 HG23 ILE 43 -2.554 2.781 -7.211 325 HD11 ILE 43 HD11 ILE 43 -1.113 4.309 -6.740 326 HD12 ILE 43 HD12 ILE 43 -0.259 3.455 -5.451 327 HD13 ILE 43 HD13 ILE 43 -0.351 5.214 -5.431 328 H ASP 44 HN ASP 44 -3.914 0.475 -3.613 329 HA ASP 44 HA ASP 44 -5.680 -0.615 -5.623 330 HB2 ASP 44 HB2 ASP 44 -4.270 -2.177 -3.438 331 HB3 ASP 44 HB1 ASP 44 -4.754 -2.747 -5.033 332 H ILE 45 HN ILE 45 -5.541 -0.629 -2.073 333 HA ILE 45 HA ILE 45 -7.976 -2.002 -1.643 334 HB ILE 45 HB ILE 45 -6.346 -0.174 0.177 335 HG12 ILE 45 HG12 ILE 45 -6.675 -3.200 -0.074 336 HG13 ILE 45 HG11 ILE 45 -5.210 -2.261 -0.319 337 HG21 ILE 45 HG21 ILE 45 -8.752 -1.833 1.002 338 HG22 ILE 45 HG22 ILE 45 -8.704 -0.068 0.933 339 HG23 ILE 45 HG23 ILE 45 -7.691 -0.938 2.087 340 HD11 ILE 45 HD11 ILE 45 -6.579 -2.855 2.309 341 HD12 ILE 45 HD12 ILE 45 -5.210 -1.760 2.118 342 HD13 ILE 45 HD13 ILE 45 -5.029 -3.465 1.723 343 H GLU 46 HN GLU 46 -7.269 1.368 -2.378 344 HA GLU 46 HA GLU 46 -9.776 2.533 -1.709 345 HB2 GLU 46 HB2 GLU 46 -7.735 3.889 -2.132 346 HB3 GLU 46 HB1 GLU 46 -7.772 3.433 -3.833 347 HG2 GLU 46 HG2 GLU 46 -9.989 4.553 -4.052 348 HG3 GLU 46 HG1 GLU 46 -9.880 5.053 -2.364 349 H LEU 47 HN LEU 47 -8.521 0.940 -4.636 350 HA LEU 47 HA LEU 47 -10.618 1.273 -6.444 351 HB2 LEU 47 HB2 LEU 47 -8.865 -1.146 -5.901 352 HB3 LEU 47 HB1 LEU 47 -9.985 -1.104 -7.242 353 HG LEU 47 HG LEU 47 -7.770 0.971 -6.972 354 HD11 LEU 47 HD11 LEU 47 -7.590 -1.682 -8.453 355 HD12 LEU 47 HD12 LEU 47 -6.700 -1.254 -6.990 356 HD13 LEU 47 HD13 LEU 47 -6.396 -0.379 -8.487 357 HD21 LEU 47 HD21 LEU 47 -9.383 -0.039 -9.333 358 HD22 LEU 47 HD22 LEU 47 -8.120 1.198 -9.390 359 HD23 LEU 47 HD23 LEU 47 -9.610 1.506 -8.502 360 H TYR 48 HN TYR 48 -10.307 -0.964 -3.709 361 HA TYR 48 HA TYR 48 -12.904 -2.236 -4.273 362 HB2 TYR 48 HB2 TYR 48 -11.187 -2.947 -1.866 363 HB3 TYR 48 HB1 TYR 48 -12.258 -3.986 -2.820 364 HD1 TYR 48 HD1 TYR 48 -9.090 -4.076 -1.975 365 HD2 TYR 48 HD2 TYR 48 -11.224 -3.420 -5.621 366 HE1 TYR 48 HE1 TYR 48 -7.134 -4.820 -3.256 367 HE2 TYR 48 HE2 TYR 48 -9.260 -4.151 -6.908 368 HH TYR 48 HH TYR 48 -6.559 -5.686 -5.409 369 H THR 49 HN THR 49 -11.648 0.277 -2.279 370 HA THR 49 HA THR 49 -14.158 0.425 -0.696 371 HB THR 49 HB THR 49 -12.954 1.797 0.929 372 HG1 THR 49 HG1 THR 49 -11.503 2.952 -0.267 373 HG21 THR 49 HG21 THR 49 -11.213 -0.593 0.237 374 HG22 THR 49 HG22 THR 49 -12.673 -0.644 1.223 375 HG23 THR 49 HG23 THR 49 -11.258 0.241 1.789 376 H ASP 50 HN ASP 50 -14.732 1.053 -3.038 377 HA ASP 50 HA ASP 50 -13.881 3.566 -4.150 378 HB2 ASP 50 HB2 ASP 50 -14.445 1.466 -5.445 379 HB3 ASP 50 HB1 ASP 50 -16.132 1.695 -5.024 380 H GLY 51 HN GLY 51 -14.979 4.238 -1.678 381 HA2 GLY 51 HA2 GLY 51 -16.162 6.456 -1.594 382 HA3 GLY 51 HA1 GLY 51 -17.538 5.621 -2.308 383 H ARG 52 HN ARG 52 -16.605 3.221 -0.561 384 HA ARG 52 HA ARG 52 -18.504 3.596 1.516 385 HB2 ARG 52 HB2 ARG 52 -17.912 1.406 0.396 386 HB3 ARG 52 HB1 ARG 52 -16.383 1.408 1.272 387 HG2 ARG 52 HG2 ARG 52 -17.532 1.181 3.401 388 HG3 ARG 52 HG1 ARG 52 -19.105 1.419 2.633 389 HD2 ARG 52 HD2 ARG 52 -18.608 -0.690 1.269 390 HD3 ARG 52 HD1 ARG 52 -17.240 -0.947 2.348 391 HE ARG 52 HE ARG 52 -18.860 -1.074 4.205 392 HH11 ARG 52 HH11 ARG 52 -21.413 -2.578 1.461 393 HH12 ARG 52 HH12 ARG 52 -20.057 -1.631 0.937 394 HH21 ARG 52 HH21 ARG 52 -21.747 -2.971 3.681 395 HH22 ARG 52 HH22 ARG 52 -20.659 -2.334 4.877 396 H VAL 53 HN VAL 53 -14.956 3.368 1.514 397 HA VAL 53 HA VAL 53 -14.728 5.187 3.768 398 HB VAL 53 HB VAL 53 -14.878 2.976 4.923 399 HG11 VAL 53 HG11 VAL 53 -13.175 1.245 4.621 400 HG12 VAL 53 HG12 VAL 53 -12.451 2.177 3.307 401 HG13 VAL 53 HG13 VAL 53 -14.086 1.528 3.134 402 HG21 VAL 53 HG21 VAL 53 -13.471 4.708 5.959 403 HG22 VAL 53 HG22 VAL 53 -12.068 4.129 5.058 404 HG23 VAL 53 HG23 VAL 53 -12.820 3.096 6.278 405 H GLU 54 HN GLU 54 -12.684 6.197 3.804 406 HA GLU 54 HA GLU 54 -10.970 5.895 1.445 407 HB2 GLU 54 HB2 GLU 54 -11.662 8.158 2.149 408 HB3 GLU 54 HB1 GLU 54 -10.970 7.897 3.745 409 HG2 GLU 54 HG2 GLU 54 -8.702 7.689 2.649 410 HG3 GLU 54 HG1 GLU 54 -9.457 8.142 1.120 411 H CYS 55 HN CYS 55 -9.090 4.762 1.539 412 HA CYS 55 HA CYS 55 -8.068 3.670 4.037 413 HB2 CYS 55 HB2 CYS 55 -6.288 2.667 2.500 414 HB3 CYS 55 HB1 CYS 55 -7.944 2.184 2.153 415 H ARG 56 HN ARG 56 -6.120 4.230 5.000 416 HA ARG 56 HA ARG 56 -4.687 6.609 3.959 417 HB2 ARG 56 HB2 ARG 56 -5.211 5.867 6.878 418 HB3 ARG 56 HB1 ARG 56 -4.036 7.077 6.383 419 HG2 ARG 56 HG2 ARG 56 -5.931 8.349 6.973 420 HG3 ARG 56 HG1 ARG 56 -6.001 8.279 5.213 421 HD2 ARG 56 HD2 ARG 56 -7.629 6.322 5.484 422 HD3 ARG 56 HD1 ARG 56 -7.672 6.715 7.204 423 HE ARG 56 HE ARG 56 -8.263 8.936 5.454 424 HH11 ARG 56 HH11 ARG 56 -11.260 6.901 7.209 425 HH12 ARG 56 HH12 ARG 56 -9.670 6.217 7.180 426 HH21 ARG 56 HH21 ARG 56 -10.338 9.799 5.463 427 HH22 ARG 56 HH22 ARG 56 -11.637 8.943 6.229 428 H GLU 57 HN GLU 57 -2.777 6.089 3.253 429 HA GLU 57 HA GLU 57 -1.308 3.748 4.261 430 HB2 GLU 57 HB2 GLU 57 0.212 4.171 2.302 431 HB3 GLU 57 HB1 GLU 57 -1.453 3.815 1.852 432 HG2 GLU 57 HG2 GLU 57 -1.887 6.186 1.450 433 HG3 GLU 57 HG1 GLU 57 -0.254 6.595 1.974 434 H LEU 58 HN LEU 58 0.825 3.918 4.932 435 HA LEU 58 HA LEU 58 1.496 6.260 6.430 436 HB2 LEU 58 HB2 LEU 58 3.007 3.667 5.927 437 HB3 LEU 58 HB1 LEU 58 3.532 4.905 7.065 438 HG LEU 58 HG LEU 58 0.827 3.516 7.293 439 HD11 LEU 58 HD11 LEU 58 1.734 2.087 9.022 440 HD12 LEU 58 HD12 LEU 58 3.356 2.744 8.763 441 HD13 LEU 58 HD13 LEU 58 2.564 1.811 7.489 442 HD21 LEU 58 HD21 LEU 58 2.410 5.170 9.283 443 HD22 LEU 58 HD22 LEU 58 0.879 4.351 9.610 444 HD23 LEU 58 HD23 LEU 58 0.942 5.660 8.433 445 H ARG 59 HN ARG 59 3.648 7.347 6.232 446 HA ARG 59 HA ARG 59 3.955 8.482 3.686 447 HB2 ARG 59 HB2 ARG 59 6.200 9.386 4.636 448 HB3 ARG 59 HB1 ARG 59 4.694 9.878 5.387 449 HG2 ARG 59 HG2 ARG 59 5.959 9.506 7.267 450 HG3 ARG 59 HG1 ARG 59 5.199 7.932 7.100 451 HD2 ARG 59 HD2 ARG 59 7.985 8.563 6.075 452 HD3 ARG 59 HD1 ARG 59 7.661 7.921 7.685 453 HE ARG 59 HE ARG 59 7.460 6.525 5.142 454 HH11 ARG 59 HH11 ARG 59 6.828 4.620 8.633 455 HH12 ARG 59 HH12 ARG 59 6.956 6.352 8.624 456 HH21 ARG 59 HH21 ARG 59 7.189 4.278 5.165 457 HH22 ARG 59 HH22 ARG 59 6.962 3.455 6.676 458 HA PRO 60 HA PRO 60 6.718 5.841 1.393 459 HB2 PRO 60 HB2 PRO 60 8.595 7.574 0.298 460 HB3 PRO 60 HB1 PRO 60 6.939 7.413 -0.318 461 HG2 PRO 60 HG2 PRO 60 8.070 9.505 1.512 462 HG3 PRO 60 HG1 PRO 60 6.949 9.688 0.148 463 HD2 PRO 60 HD2 PRO 60 6.099 9.685 2.744 464 HD3 PRO 60 HD1 PRO 60 5.091 9.042 1.414 465 H ASP 61 HN ASP 61 8.693 4.820 1.577 466 HA ASP 61 HA ASP 61 10.443 5.523 3.873 467 HB2 ASP 61 HB2 ASP 61 8.802 3.723 4.480 468 HB3 ASP 61 HB1 ASP 61 9.368 2.747 3.131 469 H VAL 62 HN VAL 62 10.176 3.148 1.228 470 HA VAL 62 HA VAL 62 12.774 4.030 0.139 471 HB VAL 62 HB VAL 62 13.164 1.564 -0.538 472 HG11 VAL 62 HG11 VAL 62 14.259 0.987 1.599 473 HG12 VAL 62 HG12 VAL 62 13.358 2.267 2.418 474 HG13 VAL 62 HG13 VAL 62 14.537 2.677 1.168 475 HG21 VAL 62 HG21 VAL 62 10.915 0.680 -0.025 476 HG22 VAL 62 HG22 VAL 62 11.149 1.029 1.686 477 HG23 VAL 62 HG23 VAL 62 12.147 -0.193 0.890 478 H PHE 63 HN PHE 63 11.711 5.292 -1.339 479 HA PHE 63 HA PHE 63 10.028 3.933 -3.371 480 HB2 PHE 63 HB2 PHE 63 8.726 5.429 -1.807 481 HB3 PHE 63 HB1 PHE 63 9.689 6.794 -2.365 482 HD1 PHE 63 HD1 PHE 63 7.991 3.954 -4.191 483 HD2 PHE 63 HD2 PHE 63 8.286 8.198 -3.670 484 HE1 PHE 63 HE1 PHE 63 6.355 4.292 -5.995 485 HE2 PHE 63 HE2 PHE 63 6.645 8.520 -5.480 486 HZ PHE 63 HZ PHE 63 5.679 6.572 -6.641 487 H GLY 64 HN GLY 64 11.585 3.648 -4.918 488 HA2 GLY 64 HA2 GLY 64 12.887 6.063 -6.077 489 HA3 GLY 64 HA1 GLY 64 13.694 4.501 -5.944 490 H ALA 65 HN ALA 65 10.572 5.737 -7.089 491 HA ALA 65 HA ALA 65 10.220 3.814 -9.158 492 HB1 ALA 65 HB1 ALA 65 8.819 6.473 -8.707 493 HB2 ALA 65 HB2 ALA 65 8.330 4.911 -8.044 494 HB3 ALA 65 HB3 ALA 65 8.271 5.183 -9.786 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -15.609 -3.406 9.258 2 H2 MET 1 HT2 MET 1 -14.283 -2.989 8.298 3 H3 MET 1 HT3 MET 1 -15.525 -1.868 8.546 4 HA MET 1 HA MET 1 -15.011 -1.697 10.856 5 HB2 MET 1 HB2 MET 1 -14.194 -4.033 11.153 6 HB3 MET 1 HB1 MET 1 -12.749 -3.645 10.231 7 HG2 MET 1 HG2 MET 1 -12.074 -2.030 11.979 8 HG3 MET 1 HG1 MET 1 -13.525 -2.431 12.899 9 HE1 MET 1 HE1 MET 1 -10.072 -3.741 11.544 10 HE2 MET 1 HE2 MET 1 -11.204 -4.901 10.846 11 HE3 MET 1 HE3 MET 1 -10.079 -5.414 12.104 12 H ASN 2 HN ASN 2 -12.455 -2.206 8.447 13 HA ASN 2 HA ASN 2 -11.930 0.669 8.251 14 HB2 ASN 2 HB2 ASN 2 -9.442 0.274 8.415 15 HB3 ASN 2 HB1 ASN 2 -10.305 0.047 9.930 16 HD21 ASN 2 HD21 ASN 2 -8.691 -1.204 10.796 17 HD22 ASN 2 HD22 ASN 2 -8.379 -2.821 10.289 18 H ALA 3 HN ALA 3 -10.298 1.018 6.426 19 HA ALA 3 HA ALA 3 -11.239 0.314 3.991 20 HB1 ALA 3 HB1 ALA 3 -9.595 2.077 4.400 21 HB2 ALA 3 HB2 ALA 3 -9.095 1.035 3.069 22 HB3 ALA 3 HB3 ALA 3 -8.343 0.857 4.657 23 H ILE 4 HN ILE 4 -8.690 -1.423 5.736 24 HA ILE 4 HA ILE 4 -7.958 -3.182 3.627 25 HB ILE 4 HB ILE 4 -7.558 -3.798 6.575 26 HG12 ILE 4 HG12 ILE 4 -5.205 -2.652 6.145 27 HG13 ILE 4 HG11 ILE 4 -6.066 -1.764 4.900 28 HG21 ILE 4 HG21 ILE 4 -5.540 -4.980 5.827 29 HG22 ILE 4 HG22 ILE 4 -5.897 -4.543 4.155 30 HG23 ILE 4 HG23 ILE 4 -6.984 -5.615 5.041 31 HD11 ILE 4 HD11 ILE 4 -6.634 -1.745 7.869 32 HD12 ILE 4 HD12 ILE 4 -7.605 -0.887 6.666 33 HD13 ILE 4 HD13 ILE 4 -5.907 -0.455 6.913 34 H ASP 5 HN ASP 5 -10.174 -3.400 6.367 35 HA ASP 5 HA ASP 5 -10.956 -6.127 6.148 36 HB2 ASP 5 HB2 ASP 5 -11.241 -4.826 8.216 37 HB3 ASP 5 HB1 ASP 5 -12.373 -3.744 7.411 38 H ILE 6 HN ILE 6 -12.266 -3.148 4.832 39 HA ILE 6 HA ILE 6 -14.719 -4.279 3.858 40 HB ILE 6 HB ILE 6 -13.322 -1.612 3.425 41 HG12 ILE 6 HG12 ILE 6 -14.191 -1.951 5.694 42 HG13 ILE 6 HG11 ILE 6 -15.125 -0.710 4.874 43 HG21 ILE 6 HG21 ILE 6 -14.638 -2.004 1.416 44 HG22 ILE 6 HG22 ILE 6 -15.373 -0.738 2.392 45 HG23 ILE 6 HG23 ILE 6 -16.073 -2.358 2.383 46 HD11 ILE 6 HD11 ILE 6 -16.929 -2.356 4.497 47 HD12 ILE 6 HD12 ILE 6 -16.563 -2.125 6.207 48 HD13 ILE 6 HD13 ILE 6 -15.984 -3.566 5.370 49 H ALA 7 HN ALA 7 -11.507 -3.737 2.540 50 HA ALA 7 HA ALA 7 -12.132 -4.393 -0.184 51 HB1 ALA 7 HB1 ALA 7 -9.721 -4.545 -0.519 52 HB2 ALA 7 HB2 ALA 7 -9.454 -4.519 1.231 53 HB3 ALA 7 HB3 ALA 7 -10.123 -3.103 0.422 54 H ILE 8 HN ILE 8 -11.138 -6.281 2.649 55 HA ILE 8 HA ILE 8 -10.802 -8.846 1.526 56 HB ILE 8 HB ILE 8 -12.006 -8.067 4.229 57 HG12 ILE 8 HG12 ILE 8 -9.169 -8.977 3.562 58 HG13 ILE 8 HG11 ILE 8 -9.652 -7.311 3.847 59 HG21 ILE 8 HG21 ILE 8 -11.508 -10.367 5.005 60 HG22 ILE 8 HG22 ILE 8 -11.023 -10.815 3.367 61 HG23 ILE 8 HG23 ILE 8 -12.694 -10.359 3.702 62 HD11 ILE 8 HD11 ILE 8 -8.570 -8.219 5.779 63 HD12 ILE 8 HD12 ILE 8 -9.716 -9.555 5.849 64 HD13 ILE 8 HD13 ILE 8 -10.265 -7.904 6.151 65 H ASN 9 HN ASN 9 -13.716 -7.189 2.680 66 HA ASN 9 HA ASN 9 -15.571 -9.287 2.155 67 HB2 ASN 9 HB2 ASN 9 -15.954 -6.291 2.540 68 HB3 ASN 9 HB1 ASN 9 -17.304 -7.398 2.314 69 HD21 ASN 9 HD21 ASN 9 -14.389 -8.103 4.243 70 HD22 ASN 9 HD22 ASN 9 -15.201 -8.139 5.760 71 H LYS 10 HN LYS 10 -14.471 -6.476 0.303 72 HA LYS 10 HA LYS 10 -16.443 -6.548 -1.729 73 HB2 LYS 10 HB2 LYS 10 -15.002 -4.560 -1.045 74 HB3 LYS 10 HB1 LYS 10 -13.663 -5.273 -1.933 75 HG2 LYS 10 HG2 LYS 10 -16.296 -4.682 -3.315 76 HG3 LYS 10 HG1 LYS 10 -15.114 -3.404 -3.039 77 HD2 LYS 10 HD2 LYS 10 -13.434 -4.639 -4.329 78 HD3 LYS 10 HD1 LYS 10 -14.569 -5.969 -4.568 79 HE2 LYS 10 HE2 LYS 10 -16.084 -4.397 -5.785 80 HE3 LYS 10 HE1 LYS 10 -14.858 -3.141 -5.620 81 HZ1 LYS 10 HZ1 LYS 10 -14.455 -5.730 -7.019 82 HZ2 LYS 10 HZ2 LYS 10 -13.346 -4.456 -6.939 83 HZ3 LYS 10 HZ3 LYS 10 -14.801 -4.262 -7.784 84 H LEU 11 HN LEU 11 -13.204 -8.004 -1.498 85 HA LEU 11 HA LEU 11 -13.444 -9.185 -4.170 86 HB2 LEU 11 HB2 LEU 11 -11.239 -9.628 -2.126 87 HB3 LEU 11 HB1 LEU 11 -11.207 -10.086 -3.820 88 HG LEU 11 HG LEU 11 -10.865 -7.348 -2.585 89 HD11 LEU 11 HD11 LEU 11 -8.908 -7.221 -4.069 90 HD12 LEU 11 HD12 LEU 11 -9.307 -8.804 -4.747 91 HD13 LEU 11 HD13 LEU 11 -8.850 -8.660 -3.052 92 HD21 LEU 11 HD21 LEU 11 -11.085 -6.267 -4.766 93 HD22 LEU 11 HD22 LEU 11 -12.605 -6.979 -4.242 94 HD23 LEU 11 HD23 LEU 11 -11.639 -7.788 -5.481 95 H GLY 12 HN GLY 12 -14.068 -10.026 -0.869 96 HA2 GLY 12 HA2 GLY 12 -15.556 -11.848 -0.370 97 HA3 GLY 12 HA1 GLY 12 -14.830 -12.779 -1.672 98 H SER 13 HN SER 13 -12.044 -12.076 -0.909 99 HA SER 13 HA SER 13 -11.728 -13.382 1.695 100 HB2 SER 13 HB2 SER 13 -10.271 -15.168 0.761 101 HB3 SER 13 HB1 SER 13 -11.915 -15.268 0.128 102 HG SER 13 HG SER 13 -11.030 -15.179 -1.763 103 H VAL 14 HN VAL 14 -9.534 -13.533 2.402 104 HA VAL 14 HA VAL 14 -7.898 -11.216 1.855 105 HB VAL 14 HB VAL 14 -7.703 -13.561 3.806 106 HG11 VAL 14 HG11 VAL 14 -5.816 -12.432 4.916 107 HG12 VAL 14 HG12 VAL 14 -5.764 -11.234 3.620 108 HG13 VAL 14 HG13 VAL 14 -5.397 -12.920 3.275 109 HG21 VAL 14 HG21 VAL 14 -9.411 -11.884 4.301 110 HG22 VAL 14 HG22 VAL 14 -8.207 -10.592 4.195 111 HG23 VAL 14 HG23 VAL 14 -8.113 -11.797 5.495 112 H SER 15 HN SER 15 -7.935 -14.613 1.023 113 HA SER 15 HA SER 15 -5.332 -14.829 -0.052 114 HB2 SER 15 HB2 SER 15 -6.432 -16.768 -1.397 115 HB3 SER 15 HB1 SER 15 -6.450 -16.880 0.362 116 HG SER 15 HG SER 15 -8.583 -16.073 -1.335 117 H ALA 16 HN ALA 16 -8.447 -13.822 -1.471 118 HA ALA 16 HA ALA 16 -7.425 -13.251 -4.086 119 HB1 ALA 16 HB1 ALA 16 -9.911 -12.165 -2.720 120 HB2 ALA 16 HB2 ALA 16 -9.824 -13.630 -3.699 121 HB3 ALA 16 HB3 ALA 16 -9.548 -12.053 -4.443 122 H LEU 17 HN LEU 17 -7.903 -11.322 -1.126 123 HA LEU 17 HA LEU 17 -7.373 -8.790 -2.276 124 HB2 LEU 17 HB2 LEU 17 -8.591 -9.086 -0.129 125 HB3 LEU 17 HB1 LEU 17 -7.104 -9.634 0.636 126 HG LEU 17 HG LEU 17 -6.089 -7.440 0.364 127 HD11 LEU 17 HD11 LEU 17 -7.337 -5.499 -0.526 128 HD12 LEU 17 HD12 LEU 17 -8.661 -6.567 -0.999 129 HD13 LEU 17 HD13 LEU 17 -7.075 -6.731 -1.758 130 HD21 LEU 17 HD21 LEU 17 -8.851 -7.144 1.559 131 HD22 LEU 17 HD22 LEU 17 -7.444 -6.125 1.884 132 HD23 LEU 17 HD23 LEU 17 -7.428 -7.818 2.363 133 H ALA 18 HN ALA 18 -5.277 -11.094 -0.627 134 HA ALA 18 HA ALA 18 -2.967 -9.381 -0.556 135 HB1 ALA 18 HB1 ALA 18 -3.445 -11.085 1.163 136 HB2 ALA 18 HB2 ALA 18 -1.848 -11.297 0.439 137 HB3 ALA 18 HB3 ALA 18 -3.181 -12.359 -0.031 138 H ALA 19 HN ALA 19 -4.166 -11.925 -2.704 139 HA ALA 19 HA ALA 19 -1.863 -12.257 -4.336 140 HB1 ALA 19 HB1 ALA 19 -3.432 -13.133 -6.029 141 HB2 ALA 19 HB2 ALA 19 -4.797 -12.489 -5.111 142 HB3 ALA 19 HB3 ALA 19 -3.804 -13.778 -4.428 143 H ALA 20 HN ALA 20 -4.559 -9.987 -4.399 144 HA ALA 20 HA ALA 20 -3.805 -8.574 -6.784 145 HB1 ALA 20 HB1 ALA 20 -5.740 -7.811 -4.573 146 HB2 ALA 20 HB2 ALA 20 -6.137 -8.721 -6.032 147 HB3 ALA 20 HB3 ALA 20 -5.623 -7.038 -6.155 148 H LEU 21 HN LEU 21 -3.046 -8.272 -3.384 149 HA LEU 21 HA LEU 21 -1.796 -5.629 -3.695 150 HB2 LEU 21 HB2 LEU 21 -2.447 -7.331 -1.275 151 HB3 LEU 21 HB1 LEU 21 -1.495 -5.856 -1.151 152 HG LEU 21 HG LEU 21 -4.341 -5.961 -2.244 153 HD11 LEU 21 HD11 LEU 21 -3.397 -5.142 0.513 154 HD12 LEU 21 HD12 LEU 21 -4.391 -6.542 0.095 155 HD13 LEU 21 HD13 LEU 21 -5.033 -4.915 -0.122 156 HD21 LEU 21 HD21 LEU 21 -3.044 -4.082 -3.120 157 HD22 LEU 21 HD22 LEU 21 -2.617 -3.589 -1.481 158 HD23 LEU 21 HD23 LEU 21 -4.297 -3.520 -2.017 159 H GLY 22 HN GLY 22 -0.861 -8.831 -3.965 160 HA2 GLY 22 HA2 GLY 22 1.196 -9.708 -4.557 161 HA3 GLY 22 HA1 GLY 22 1.892 -8.106 -4.385 162 H VAL 23 HN VAL 23 0.197 -9.239 -1.640 163 HA VAL 23 HA VAL 23 2.698 -9.968 -0.209 164 HB VAL 23 HB VAL 23 1.593 -9.158 1.876 165 HG11 VAL 23 HG11 VAL 23 3.051 -7.604 0.690 166 HG12 VAL 23 HG12 VAL 23 1.703 -6.726 1.423 167 HG13 VAL 23 HG13 VAL 23 1.703 -7.053 -0.314 168 HG21 VAL 23 HG21 VAL 23 -0.674 -8.218 0.066 169 HG22 VAL 23 HG22 VAL 23 -0.500 -7.819 1.776 170 HG23 VAL 23 HG23 VAL 23 -0.774 -9.491 1.289 171 H ASN 24 HN ASN 24 1.895 -11.244 1.983 172 HA ASN 24 HA ASN 24 0.285 -13.527 1.064 173 HB2 ASN 24 HB2 ASN 24 1.148 -14.782 2.920 174 HB3 ASN 24 HB1 ASN 24 2.501 -13.941 2.188 175 HD21 ASN 24 HD21 ASN 24 2.315 -15.043 4.848 176 HD22 ASN 24 HD22 ASN 24 2.580 -13.736 5.946 177 H GLN 25 HN GLN 25 -1.036 -14.529 2.923 178 HA GLN 25 HA GLN 25 -3.266 -12.790 3.268 179 HB2 GLN 25 HB2 GLN 25 -2.697 -15.638 4.167 180 HB3 GLN 25 HB1 GLN 25 -4.215 -14.831 4.518 181 HG2 GLN 25 HG2 GLN 25 -4.554 -16.216 2.605 182 HG3 GLN 25 HG1 GLN 25 -4.585 -14.541 2.060 183 HE21 GLN 25 HE21 GLN 25 -2.844 -13.790 0.776 184 HE22 GLN 25 HE22 GLN 25 -1.796 -14.869 -0.063 185 H SER 26 HN SER 26 -0.687 -13.853 5.363 186 HA SER 26 HA SER 26 -1.788 -13.053 7.866 187 HB2 SER 26 HB2 SER 26 0.040 -14.707 7.661 188 HB3 SER 26 HB1 SER 26 1.112 -13.469 7.020 189 HG SER 26 HG SER 26 0.094 -12.640 9.353 190 H ALA 27 HN ALA 27 0.054 -11.350 5.366 191 HA ALA 27 HA ALA 27 0.796 -9.047 6.880 192 HB1 ALA 27 HB1 ALA 27 1.263 -7.974 4.719 193 HB2 ALA 27 HB2 ALA 27 0.420 -9.282 3.880 194 HB3 ALA 27 HB3 ALA 27 1.906 -9.616 4.766 195 H ILE 28 HN ILE 28 -2.031 -9.828 4.920 196 HA ILE 28 HA ILE 28 -3.300 -7.283 4.928 197 HB ILE 28 HB ILE 28 -4.543 -10.066 4.719 198 HG12 ILE 28 HG12 ILE 28 -2.850 -9.699 2.981 199 HG13 ILE 28 HG11 ILE 28 -4.460 -9.717 2.271 200 HG21 ILE 28 HG21 ILE 28 -6.429 -8.972 3.591 201 HG22 ILE 28 HG22 ILE 28 -5.708 -7.389 3.892 202 HG23 ILE 28 HG23 ILE 28 -6.247 -8.391 5.244 203 HD11 ILE 28 HD11 ILE 28 -3.109 -8.003 1.263 204 HD12 ILE 28 HD12 ILE 28 -2.777 -7.282 2.836 205 HD13 ILE 28 HD13 ILE 28 -4.416 -7.257 2.179 206 H SER 29 HN SER 29 -3.769 -10.174 6.908 207 HA SER 29 HA SER 29 -5.681 -9.221 8.719 208 HB2 SER 29 HB2 SER 29 -3.475 -11.260 9.228 209 HB3 SER 29 HB1 SER 29 -5.026 -11.150 10.068 210 HG SER 29 HG SER 29 -4.443 -12.422 7.782 211 H GLN 30 HN GLN 30 -2.199 -8.888 8.637 212 HA GLN 30 HA GLN 30 -1.783 -7.738 11.213 213 HB2 GLN 30 HB2 GLN 30 0.028 -8.821 10.009 214 HB3 GLN 30 HB1 GLN 30 -0.150 -7.723 8.647 215 HG2 GLN 30 HG2 GLN 30 0.600 -5.849 10.113 216 HG3 GLN 30 HG1 GLN 30 0.866 -7.009 11.417 217 HE21 GLN 30 HE21 GLN 30 2.776 -5.262 10.003 218 HE22 GLN 30 HE22 GLN 30 3.987 -6.304 9.353 219 H TRP 31 HN TRP 31 -2.198 -6.341 7.952 220 HA TRP 31 HA TRP 31 -1.806 -3.616 8.685 221 HB2 TRP 31 HB2 TRP 31 -3.283 -4.784 6.294 222 HB3 TRP 31 HB1 TRP 31 -2.842 -3.088 6.471 223 HD1 TRP 31 HD1 TRP 31 0.192 -4.404 7.684 224 HE1 TRP 31 HE1 TRP 31 1.900 -4.852 5.823 225 HE3 TRP 31 HE3 TRP 31 -2.939 -4.393 3.629 226 HZ2 TRP 31 HZ2 TRP 31 1.933 -5.166 3.026 227 HZ3 TRP 31 HZ3 TRP 31 -1.992 -4.760 1.404 228 HH2 TRP 31 HH2 TRP 31 0.394 -5.139 1.105 229 H ARG 32 HN ARG 32 -4.536 -5.726 8.624 230 HA ARG 32 HA ARG 32 -6.586 -3.730 8.857 231 HB2 ARG 32 HB2 ARG 32 -6.952 -5.953 7.788 232 HB3 ARG 32 HB1 ARG 32 -6.689 -6.745 9.342 233 HG2 ARG 32 HG2 ARG 32 -8.662 -5.599 10.258 234 HG3 ARG 32 HG1 ARG 32 -8.925 -4.791 8.710 235 HD2 ARG 32 HD2 ARG 32 -10.433 -6.672 8.922 236 HD3 ARG 32 HD1 ARG 32 -9.265 -7.008 7.646 237 HE ARG 32 HE ARG 32 -8.187 -8.159 9.879 238 HH11 ARG 32 HH11 ARG 32 -11.476 -10.157 8.666 239 HH12 ARG 32 HH12 ARG 32 -11.257 -8.507 8.183 240 HH21 ARG 32 HH21 ARG 32 -8.498 -10.290 10.569 241 HH22 ARG 32 HH22 ARG 32 -9.887 -11.175 10.039 242 H ALA 33 HN ALA 33 -4.868 -5.922 11.042 243 HA ALA 33 HA ALA 33 -6.248 -5.138 13.413 244 HB1 ALA 33 HB1 ALA 33 -5.042 -7.280 13.255 245 HB2 ALA 33 HB2 ALA 33 -4.425 -6.322 14.600 246 HB3 ALA 33 HB3 ALA 33 -3.505 -6.423 13.098 247 H ARG 34 HN ARG 34 -3.513 -3.931 11.653 248 HA ARG 34 HA ARG 34 -2.491 -2.048 13.570 249 HB2 ARG 34 HB2 ARG 34 -1.114 -3.057 11.775 250 HB3 ARG 34 HB1 ARG 34 -2.182 -2.386 10.554 251 HG2 ARG 34 HG2 ARG 34 -0.216 -1.090 10.558 252 HG3 ARG 34 HG1 ARG 34 -1.475 -0.095 11.271 253 HD2 ARG 34 HD2 ARG 34 -0.589 -0.593 13.529 254 HD3 ARG 34 HD1 ARG 34 0.669 -1.603 12.812 255 HE ARG 34 HE ARG 34 1.502 0.432 11.694 256 HH11 ARG 34 HH11 ARG 34 0.289 2.388 14.991 257 HH12 ARG 34 HH12 ARG 34 -0.414 0.853 14.607 258 HH21 ARG 34 HH21 ARG 34 1.923 3.286 13.621 259 HH22 ARG 34 HH22 ARG 34 2.440 2.412 12.212 260 H GLY 35 HN GLY 35 -4.858 -2.051 10.993 261 HA2 GLY 35 HA2 GLY 35 -6.573 -0.612 10.444 262 HA3 GLY 35 HA1 GLY 35 -6.101 0.441 11.776 263 H ARG 36 HN ARG 36 -3.582 -0.436 9.659 264 HA ARG 36 HA ARG 36 -3.688 1.925 7.945 265 HB2 ARG 36 HB2 ARG 36 -2.665 2.564 10.295 266 HB3 ARG 36 HB1 ARG 36 -1.296 1.585 9.823 267 HG2 ARG 36 HG2 ARG 36 -0.679 3.798 9.312 268 HG3 ARG 36 HG1 ARG 36 -1.109 3.088 7.756 269 HD2 ARG 36 HD2 ARG 36 -3.293 4.191 7.824 270 HD3 ARG 36 HD1 ARG 36 -2.955 4.829 9.438 271 HE ARG 36 HE ARG 36 -1.073 5.582 7.352 272 HH11 ARG 36 HH11 ARG 36 -3.954 6.581 9.132 273 HH12 ARG 36 HH12 ARG 36 -3.757 8.254 8.728 274 HH21 ARG 36 HH21 ARG 36 -0.853 7.780 6.827 275 HH22 ARG 36 HH22 ARG 36 -1.999 8.936 7.421 276 H VAL 37 HN VAL 37 -2.556 1.479 6.054 277 HA VAL 37 HA VAL 37 -0.968 -1.016 5.936 278 HB VAL 37 HB VAL 37 -1.212 -0.930 3.497 279 HG11 VAL 37 HG11 VAL 37 -3.645 -1.304 3.334 280 HG12 VAL 37 HG12 VAL 37 -3.861 -0.583 4.931 281 HG13 VAL 37 HG13 VAL 37 -2.942 -2.079 4.752 282 HG21 VAL 37 HG21 VAL 37 -2.645 0.743 2.366 283 HG22 VAL 37 HG22 VAL 37 -1.236 1.494 3.110 284 HG23 VAL 37 HG23 VAL 37 -2.815 1.630 3.885 285 HA PRO 38 HA PRO 38 2.997 1.161 5.095 286 HB2 PRO 38 HB2 PRO 38 3.113 -1.039 2.986 287 HB3 PRO 38 HB1 PRO 38 4.378 -0.480 4.107 288 HG2 PRO 38 HG2 PRO 38 3.114 -2.712 4.645 289 HG3 PRO 38 HG1 PRO 38 3.397 -1.536 5.954 290 HD2 PRO 38 HD2 PRO 38 0.863 -2.076 4.419 291 HD3 PRO 38 HD1 PRO 38 1.089 -1.767 6.154 292 H ALA 39 HN ALA 39 3.918 2.419 3.381 293 HA ALA 39 HA ALA 39 2.072 3.940 1.954 294 HB1 ALA 39 HB1 ALA 39 4.232 4.798 2.709 295 HB2 ALA 39 HB2 ALA 39 4.047 5.049 0.973 296 HB3 ALA 39 HB3 ALA 39 5.077 3.746 1.571 297 H GLY 40 HN GLY 40 0.953 3.269 0.127 298 HA2 GLY 40 HA2 GLY 40 1.481 3.115 -2.361 299 HA3 GLY 40 HA1 GLY 40 2.332 1.638 -1.941 300 H ARG 41 HN ARG 41 0.453 0.603 -0.063 301 HA ARG 41 HA ARG 41 -1.213 -0.723 -2.033 302 HB2 ARG 41 HB2 ARG 41 -0.791 -1.257 0.925 303 HB3 ARG 41 HB1 ARG 41 -1.807 -2.256 -0.112 304 HG2 ARG 41 HG2 ARG 41 1.150 -1.788 -0.557 305 HG3 ARG 41 HG1 ARG 41 0.480 -3.177 0.291 306 HD2 ARG 41 HD2 ARG 41 1.055 -3.791 -1.995 307 HD3 ARG 41 HD1 ARG 41 -0.686 -3.869 -1.774 308 HE ARG 41 HE ARG 41 -0.939 -1.906 -3.124 309 HH11 ARG 41 HH11 ARG 41 2.804 -2.310 -4.577 310 HH12 ARG 41 HH12 ARG 41 2.365 -3.159 -3.127 311 HH21 ARG 41 HH21 ARG 41 1.279 -0.979 -5.643 312 HH22 ARG 41 HH22 ARG 41 -0.329 -0.807 -5.014 313 H CYS 42 HN CYS 42 -1.764 1.926 -0.021 314 HA CYS 42 HA CYS 42 -4.522 1.507 0.578 315 HB2 CYS 42 HB2 CYS 42 -3.203 3.223 1.739 316 HB3 CYS 42 HB1 CYS 42 -3.046 4.133 0.235 317 H ILE 43 HN ILE 43 -2.824 2.547 -2.295 318 HA ILE 43 HA ILE 43 -4.881 3.794 -3.759 319 HB ILE 43 HB ILE 43 -2.571 2.060 -4.757 320 HG12 ILE 43 HG12 ILE 43 -2.825 5.100 -4.536 321 HG13 ILE 43 HG11 ILE 43 -1.861 4.071 -3.482 322 HG21 ILE 43 HG21 ILE 43 -4.329 3.947 -6.378 323 HG22 ILE 43 HG22 ILE 43 -4.289 2.189 -6.501 324 HG23 ILE 43 HG23 ILE 43 -2.879 3.128 -6.971 325 HD11 ILE 43 HD11 ILE 43 -1.398 4.520 -6.429 326 HD12 ILE 43 HD12 ILE 43 -0.433 3.474 -5.381 327 HD13 ILE 43 HD13 ILE 43 -0.477 5.213 -5.096 328 H ASP 44 HN ASP 44 -3.908 0.356 -3.635 329 HA ASP 44 HA ASP 44 -5.911 -0.530 -5.493 330 HB2 ASP 44 HB2 ASP 44 -4.361 -2.280 -3.548 331 HB3 ASP 44 HB1 ASP 44 -5.054 -2.744 -5.098 332 H ILE 45 HN ILE 45 -5.526 -0.738 -1.964 333 HA ILE 45 HA ILE 45 -7.891 -2.140 -1.383 334 HB ILE 45 HB ILE 45 -6.232 -0.227 0.321 335 HG12 ILE 45 HG12 ILE 45 -6.451 -3.274 0.177 336 HG13 ILE 45 HG11 ILE 45 -5.045 -2.286 -0.200 337 HG21 ILE 45 HG21 ILE 45 -8.525 -1.971 1.283 338 HG22 ILE 45 HG22 ILE 45 -8.546 -0.210 1.177 339 HG23 ILE 45 HG23 ILE 45 -7.449 -1.006 2.301 340 HD11 ILE 45 HD11 ILE 45 -4.905 -1.681 2.218 341 HD12 ILE 45 HD12 ILE 45 -4.690 -3.396 1.883 342 HD13 ILE 45 HD13 ILE 45 -6.224 -2.817 2.540 343 H GLU 46 HN GLU 46 -7.301 1.346 -1.842 344 HA GLU 46 HA GLU 46 -9.941 2.174 -1.100 345 HB2 GLU 46 HB2 GLU 46 -7.876 3.644 -1.039 346 HB3 GLU 46 HB1 GLU 46 -7.959 3.744 -2.792 347 HG2 GLU 46 HG2 GLU 46 -9.966 4.984 -2.744 348 HG3 GLU 46 HG1 GLU 46 -10.296 4.569 -1.063 349 H LEU 47 HN LEU 47 -8.510 0.991 -4.062 350 HA LEU 47 HA LEU 47 -10.493 1.824 -5.901 351 HB2 LEU 47 HB2 LEU 47 -8.491 1.111 -6.888 352 HB3 LEU 47 HB1 LEU 47 -8.274 -0.209 -5.762 353 HG LEU 47 HG LEU 47 -10.113 -1.414 -6.951 354 HD11 LEU 47 HD11 LEU 47 -10.674 -0.788 -9.267 355 HD12 LEU 47 HD12 LEU 47 -9.769 0.716 -9.079 356 HD13 LEU 47 HD13 LEU 47 -11.215 0.426 -8.110 357 HD21 LEU 47 HD21 LEU 47 -7.756 -1.994 -7.280 358 HD22 LEU 47 HD22 LEU 47 -7.630 -0.813 -8.586 359 HD23 LEU 47 HD23 LEU 47 -8.669 -2.229 -8.767 360 H TYR 48 HN TYR 48 -10.208 -0.841 -3.596 361 HA TYR 48 HA TYR 48 -12.679 -2.142 -4.449 362 HB2 TYR 48 HB2 TYR 48 -11.072 -2.783 -1.940 363 HB3 TYR 48 HB1 TYR 48 -12.176 -3.847 -2.814 364 HD1 TYR 48 HD1 TYR 48 -8.985 -3.937 -2.001 365 HD2 TYR 48 HD2 TYR 48 -11.177 -3.495 -5.643 366 HE1 TYR 48 HE1 TYR 48 -7.064 -4.793 -3.272 367 HE2 TYR 48 HE2 TYR 48 -9.260 -4.354 -6.898 368 HH TYR 48 HH TYR 48 -6.772 -4.464 -6.592 369 H THR 49 HN THR 49 -11.638 0.192 -2.040 370 HA THR 49 HA THR 49 -14.284 0.124 -0.677 371 HB THR 49 HB THR 49 -13.233 1.225 1.212 372 HG1 THR 49 HG1 THR 49 -11.774 2.630 0.456 373 HG21 THR 49 HG21 THR 49 -11.335 -0.932 0.200 374 HG22 THR 49 HG22 THR 49 -12.834 -1.222 1.086 375 HG23 THR 49 HG23 THR 49 -11.494 -0.390 1.871 376 H ASP 50 HN ASP 50 -14.117 1.189 -3.193 377 HA ASP 50 HA ASP 50 -13.136 3.670 -3.751 378 HB2 ASP 50 HB2 ASP 50 -14.724 3.673 -5.696 379 HB3 ASP 50 HB1 ASP 50 -13.860 2.151 -5.484 380 H GLY 51 HN GLY 51 -16.503 3.029 -2.796 381 HA2 GLY 51 HA2 GLY 51 -16.667 5.769 -1.645 382 HA3 GLY 51 HA1 GLY 51 -17.984 5.085 -2.609 383 H ARG 52 HN ARG 52 -16.139 2.983 -0.631 384 HA ARG 52 HA ARG 52 -18.452 2.442 1.081 385 HB2 ARG 52 HB2 ARG 52 -15.892 0.898 0.539 386 HB3 ARG 52 HB1 ARG 52 -17.075 0.404 1.744 387 HG2 ARG 52 HG2 ARG 52 -18.798 0.173 -0.029 388 HG3 ARG 52 HG1 ARG 52 -17.614 0.675 -1.240 389 HD2 ARG 52 HD2 ARG 52 -16.268 -1.325 -0.816 390 HD3 ARG 52 HD1 ARG 52 -17.321 -1.786 0.523 391 HE ARG 52 HE ARG 52 -18.927 -2.516 -0.961 392 HH11 ARG 52 HH11 ARG 52 -16.902 -1.598 -4.306 393 HH12 ARG 52 HH12 ARG 52 -16.335 -0.981 -2.794 394 HH21 ARG 52 HH21 ARG 52 -18.753 -2.922 -4.397 395 HH22 ARG 52 HH22 ARG 52 -19.621 -3.323 -2.946 396 H VAL 53 HN VAL 53 -14.938 3.046 1.449 397 HA VAL 53 HA VAL 53 -15.364 4.552 3.888 398 HB VAL 53 HB VAL 53 -15.297 2.251 4.797 399 HG11 VAL 53 HG11 VAL 53 -14.020 1.136 3.058 400 HG12 VAL 53 HG12 VAL 53 -13.308 0.836 4.641 401 HG13 VAL 53 HG13 VAL 53 -12.556 1.997 3.544 402 HG21 VAL 53 HG21 VAL 53 -14.368 4.036 6.201 403 HG22 VAL 53 HG22 VAL 53 -12.771 3.791 5.496 404 HG23 VAL 53 HG23 VAL 53 -13.507 2.523 6.478 405 H GLU 54 HN GLU 54 -13.493 5.752 4.550 406 HA GLU 54 HA GLU 54 -11.696 6.565 2.476 407 HB2 GLU 54 HB2 GLU 54 -11.596 7.178 5.472 408 HB3 GLU 54 HB1 GLU 54 -10.669 8.004 4.229 409 HG2 GLU 54 HG2 GLU 54 -12.457 9.434 4.873 410 HG3 GLU 54 HG1 GLU 54 -12.820 8.848 3.253 411 H CYS 55 HN CYS 55 -9.804 5.593 1.931 412 HA CYS 55 HA CYS 55 -8.509 3.715 3.795 413 HB2 CYS 55 HB2 CYS 55 -8.842 2.799 1.609 414 HB3 CYS 55 HB1 CYS 55 -8.156 4.221 0.829 415 H ARG 56 HN ARG 56 -6.301 3.871 4.323 416 HA ARG 56 HA ARG 56 -4.819 6.301 3.676 417 HB2 ARG 56 HB2 ARG 56 -4.278 6.719 6.110 418 HB3 ARG 56 HB1 ARG 56 -5.913 7.115 5.627 419 HG2 ARG 56 HG2 ARG 56 -5.350 4.437 6.898 420 HG3 ARG 56 HG1 ARG 56 -5.465 5.882 7.901 421 HD2 ARG 56 HD2 ARG 56 -7.632 4.915 6.002 422 HD3 ARG 56 HD1 ARG 56 -7.613 4.647 7.747 423 HE ARG 56 HE ARG 56 -7.375 7.422 7.108 424 HH11 ARG 56 HH11 ARG 56 -11.085 5.955 7.682 425 HH12 ARG 56 HH12 ARG 56 -9.782 4.861 7.367 426 HH21 ARG 56 HH21 ARG 56 -9.075 8.851 7.518 427 HH22 ARG 56 HH22 ARG 56 -10.682 8.251 7.768 428 H GLU 57 HN GLU 57 -2.693 6.046 3.638 429 HA GLU 57 HA GLU 57 -1.445 3.518 4.569 430 HB2 GLU 57 HB2 GLU 57 0.219 3.810 2.735 431 HB3 GLU 57 HB1 GLU 57 -1.413 3.613 2.113 432 HG2 GLU 57 HG2 GLU 57 -1.559 6.087 1.811 433 HG3 GLU 57 HG1 GLU 57 0.111 6.216 2.360 434 H LEU 58 HN LEU 58 0.870 3.754 5.093 435 HA LEU 58 HA LEU 58 1.541 6.078 6.608 436 HB2 LEU 58 HB2 LEU 58 3.233 3.720 5.725 437 HB3 LEU 58 HB1 LEU 58 3.755 4.935 6.884 438 HG LEU 58 HG LEU 58 1.331 3.145 7.313 439 HD11 LEU 58 HD11 LEU 58 2.684 1.811 8.837 440 HD12 LEU 58 HD12 LEU 58 4.123 2.751 8.423 441 HD13 LEU 58 HD13 LEU 58 3.335 1.750 7.200 442 HD21 LEU 58 HD21 LEU 58 1.203 5.195 8.605 443 HD22 LEU 58 HD22 LEU 58 2.839 4.963 9.219 444 HD23 LEU 58 HD23 LEU 58 1.553 3.847 9.683 445 H ARG 59 HN ARG 59 3.510 7.394 6.189 446 HA ARG 59 HA ARG 59 3.450 8.325 3.419 447 HB2 ARG 59 HB2 ARG 59 4.717 9.552 5.910 448 HB3 ARG 59 HB1 ARG 59 4.611 10.324 4.310 449 HG2 ARG 59 HG2 ARG 59 2.166 10.345 4.448 450 HG3 ARG 59 HG1 ARG 59 2.207 9.453 5.969 451 HD2 ARG 59 HD2 ARG 59 1.774 11.826 6.350 452 HD3 ARG 59 HD1 ARG 59 3.305 11.342 7.080 453 HE ARG 59 HE ARG 59 3.204 12.670 4.447 454 HH11 ARG 59 HH11 ARG 59 4.351 12.635 7.768 455 HH12 ARG 59 HH12 ARG 59 5.437 13.966 7.536 456 HH21 ARG 59 HH21 ARG 59 4.648 14.405 4.143 457 HH22 ARG 59 HH22 ARG 59 5.607 14.972 5.469 458 HA PRO 60 HA PRO 60 7.493 6.755 2.196 459 HB2 PRO 60 HB2 PRO 60 8.609 8.934 0.882 460 HB3 PRO 60 HB1 PRO 60 7.343 7.914 0.176 461 HG2 PRO 60 HG2 PRO 60 7.069 10.556 1.561 462 HG3 PRO 60 HG1 PRO 60 6.294 9.982 0.066 463 HD2 PRO 60 HD2 PRO 60 4.974 10.006 2.432 464 HD3 PRO 60 HD1 PRO 60 4.701 8.718 1.219 465 H ASP 61 HN ASP 61 7.353 9.871 3.779 466 HA ASP 61 HA ASP 61 10.020 9.713 4.882 467 HB2 ASP 61 HB2 ASP 61 8.970 11.882 4.194 468 HB3 ASP 61 HB1 ASP 61 7.777 11.699 5.472 469 H VAL 62 HN VAL 62 9.634 7.620 5.828 470 HA VAL 62 HA VAL 62 8.472 7.798 8.547 471 HB VAL 62 HB VAL 62 8.893 5.311 8.684 472 HG11 VAL 62 HG11 VAL 62 6.655 6.135 8.145 473 HG12 VAL 62 HG12 VAL 62 6.981 4.620 7.311 474 HG13 VAL 62 HG13 VAL 62 7.044 6.143 6.423 475 HG21 VAL 62 HG21 VAL 62 9.327 4.020 6.621 476 HG22 VAL 62 HG22 VAL 62 10.666 5.105 6.996 477 HG23 VAL 62 HG23 VAL 62 9.529 5.525 5.715 478 H PHE 63 HN PHE 63 11.376 8.045 6.812 479 HA PHE 63 HA PHE 63 13.175 7.043 8.871 480 HB2 PHE 63 HB2 PHE 63 13.865 8.491 6.278 481 HB3 PHE 63 HB1 PHE 63 14.968 7.564 7.285 482 HD1 PHE 63 HD1 PHE 63 12.378 7.387 4.679 483 HD2 PHE 63 HD2 PHE 63 14.829 5.076 7.321 484 HE1 PHE 63 HE1 PHE 63 11.923 5.373 3.352 485 HE2 PHE 63 HE2 PHE 63 14.364 3.067 5.988 486 HZ PHE 63 HZ PHE 63 12.907 3.210 4.005 487 H GLY 64 HN GLY 64 11.746 10.070 7.946 488 HA2 GLY 64 HA2 GLY 64 11.753 12.029 9.301 489 HA3 GLY 64 HA1 GLY 64 13.281 11.529 10.014 490 H ALA 65 HN ALA 65 14.927 11.104 7.990 491 HA ALA 65 HA ALA 65 14.842 13.448 6.180 492 HB1 ALA 65 HB1 ALA 65 17.308 12.259 7.517 493 HB2 ALA 65 HB2 ALA 65 16.561 13.809 7.904 494 HB3 ALA 65 HB3 ALA 65 17.310 13.563 6.327
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