NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23920 | 2jz6 | 15609 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA GLN 1 HA GLN 1 -25.888 -3.382 -16.291 2 H1 GLN 1 1HT GLN 1 -25.775 -4.921 -18.142 3 H2 GLN 1 2HT GLN 1 -24.653 -3.920 -18.927 4 H3 GLN 1 3HT GLN 1 -26.235 -3.372 -18.656 5 HB2 GLN 1 2HB GLN 1 -24.123 -5.276 -16.573 6 HB3 GLN 1 1HB GLN 1 -22.982 -3.963 -16.812 7 HG2 GLN 1 2HG GLN 1 -23.557 -3.065 -14.610 8 HG3 GLN 1 1HG GLN 1 -24.696 -4.390 -14.374 9 HE21 GLN 1 1HE2 GLN 1 -23.932 -6.449 -14.003 10 HE22 GLN 1 2HE2 GLN 1 -22.288 -6.766 -13.542 11 H GLY 2 HN GLY 2 -23.885 -1.834 -15.273 12 HA2 GLY 2 2HA GLY 2 -22.499 0.077 -15.990 13 HA3 GLY 2 1HA GLY 2 -23.732 0.403 -17.200 14 H HIS 3 HN HIS 3 -25.665 -0.479 -14.924 15 HA HIS 3 HA HIS 3 -25.971 2.229 -13.847 16 HD1 HIS 3 1HD HIS 3 -29.842 0.325 -12.276 17 HD2 HIS 3 2HD HIS 3 -27.989 3.850 -13.498 18 HE1 HIS 3 1HE HIS 3 -31.112 2.193 -11.158 19 HE2 HIS 3 2HE HIS 3 -29.915 4.306 -11.835 20 HB2 HIS 3 2HB HIS 3 -27.878 1.110 -15.015 21 HB3 HIS 3 1HB HIS 3 -27.893 -0.107 -13.746 22 H MET 4 HN MET 4 -25.191 -1.009 -12.952 23 HA MET 4 HA MET 4 -25.460 -0.661 -10.116 24 HB2 MET 4 2HB MET 4 -25.400 -2.861 -11.500 25 HB3 MET 4 1HB MET 4 -23.657 -2.664 -11.472 26 HG2 MET 4 2HG MET 4 -25.368 -2.806 -9.003 27 HG3 MET 4 1HG MET 4 -24.590 -4.200 -9.742 28 HE1 MET 4 3HE MET 4 -23.330 -4.867 -7.562 29 HE2 MET 4 1HE MET 4 -24.163 -3.551 -6.723 30 HE3 MET 4 2HE MET 4 -22.416 -3.732 -6.567 31 H ILE 5 HN ILE 5 -24.305 0.999 -9.288 32 HA ILE 5 HA ILE 5 -21.592 1.450 -10.307 33 HB ILE 5 HB ILE 5 -21.791 3.702 -9.267 34 HG12 ILE 5 2HG1 ILE 5 -24.682 2.895 -8.852 35 HG13 ILE 5 1HG1 ILE 5 -23.502 3.107 -7.566 36 HG21 ILE 5 1HG2 ILE 5 -22.233 3.377 -11.625 37 HG22 ILE 5 2HG2 ILE 5 -23.341 4.581 -10.971 38 HG23 ILE 5 3HG2 ILE 5 -23.905 2.940 -11.276 39 HD11 ILE 5 3HD1 ILE 5 -24.972 5.030 -7.754 40 HD12 ILE 5 1HD1 ILE 5 -24.479 5.254 -9.433 41 HD13 ILE 5 2HD1 ILE 5 -23.303 5.471 -8.133 42 H MET 6 HN MET 6 -22.748 -0.314 -7.913 43 HA MET 6 HA MET 6 -21.132 0.763 -5.751 44 HB2 MET 6 2HB MET 6 -23.303 -0.288 -5.222 45 HB3 MET 6 1HB MET 6 -22.716 -1.812 -5.871 46 HG2 MET 6 2HG MET 6 -20.967 -1.852 -4.140 47 HG3 MET 6 1HG MET 6 -21.620 -0.355 -3.477 48 HE1 MET 6 3HE MET 6 -25.123 -1.470 -2.164 49 HE2 MET 6 1HE MET 6 -24.781 -0.817 -3.768 50 HE3 MET 6 2HE MET 6 -23.977 -0.145 -2.349 51 H ALA 7 HN ALA 7 -19.060 0.642 -6.562 52 HA ALA 7 HA ALA 7 -17.985 -2.080 -6.875 53 HB1 ALA 7 1HB ALA 7 -17.208 0.366 -8.458 54 HB2 ALA 7 2HB ALA 7 -18.117 -1.020 -9.063 55 HB3 ALA 7 3HB ALA 7 -16.435 -1.213 -8.568 56 H LYS 8 HN LYS 8 -15.712 -2.297 -6.333 57 HA LYS 8 HA LYS 8 -15.014 -0.561 -4.088 58 HB2 LYS 8 2HB LYS 8 -13.685 -3.100 -5.057 59 HB3 LYS 8 1HB LYS 8 -13.288 -2.232 -3.583 60 HG2 LYS 8 2HG LYS 8 -14.604 -3.936 -2.782 61 HG3 LYS 8 1HG LYS 8 -15.793 -2.646 -2.986 62 HD2 LYS 8 2HD LYS 8 -16.432 -3.591 -5.157 63 HD3 LYS 8 1HD LYS 8 -15.250 -4.883 -4.935 64 HE2 LYS 8 2HE LYS 8 -16.463 -5.579 -2.890 65 HE3 LYS 8 1HE LYS 8 -17.681 -4.348 -3.234 66 HZ1 LYS 8 3HZ LYS 8 -18.163 -5.454 -5.325 67 HZ2 LYS 8 1HZ LYS 8 -18.365 -6.530 -4.030 68 HZ3 LYS 8 2HZ LYS 8 -16.981 -6.627 -5.005 69 H ARG 9 HN ARG 9 -13.628 1.048 -4.288 70 HA ARG 9 HA ARG 9 -11.587 0.940 -6.392 71 HE ARG 9 HE ARG 9 -15.357 5.898 -5.271 72 HB2 ARG 9 2HB ARG 9 -12.067 3.339 -6.893 73 HB3 ARG 9 1HB ARG 9 -13.367 2.247 -7.345 74 HG2 ARG 9 2HG ARG 9 -14.453 2.838 -5.138 75 HG3 ARG 9 1HG ARG 9 -13.255 4.126 -5.006 76 HD2 ARG 9 2HD ARG 9 -14.042 5.103 -7.080 77 HD3 ARG 9 1HD ARG 9 -15.180 3.773 -7.297 78 HH11 ARG 9 1HH1 ARG 9 -16.814 3.224 -7.016 79 HH12 ARG 9 2HH1 ARG 9 -18.399 3.507 -6.369 80 HH21 ARG 9 1HH2 ARG 9 -17.443 6.267 -4.435 81 HH22 ARG 9 2HH2 ARG 9 -18.753 5.227 -4.906 82 H CYS 10 HN CYS 10 -10.284 3.249 -6.030 83 HA CYS 10 HA CYS 10 -8.979 2.869 -3.520 84 HG CYS 10 HG CYS 10 -5.997 5.511 -4.611 85 HB2 CYS 10 2HB CYS 10 -7.807 3.622 -5.601 86 HB3 CYS 10 1HB CYS 10 -8.640 5.165 -5.462 87 H GLU 11 HN GLU 11 -9.583 3.658 -1.636 88 HA GLU 11 HA GLU 11 -11.725 5.558 -1.435 89 HB2 GLU 11 2HB GLU 11 -9.955 4.407 0.735 90 HB3 GLU 11 1HB GLU 11 -11.497 5.224 0.973 91 HG2 GLU 11 2HG GLU 11 -12.608 3.459 -0.316 92 HG3 GLU 11 1HG GLU 11 -11.068 2.619 -0.472 93 H VAL 12 HN VAL 12 -8.505 5.916 -1.991 94 HA VAL 12 HA VAL 12 -8.139 8.322 -0.386 95 HB VAL 12 HB VAL 12 -6.211 6.978 -2.288 96 HG11 VAL 12 1HG1 VAL 12 -4.507 8.320 -1.148 97 HG12 VAL 12 2HG1 VAL 12 -5.762 9.098 -0.186 98 HG13 VAL 12 3HG1 VAL 12 -5.715 9.340 -1.931 99 HG21 VAL 12 3HG2 VAL 12 -6.432 6.791 0.717 100 HG22 VAL 12 1HG2 VAL 12 -5.130 6.108 -0.259 101 HG23 VAL 12 2HG2 VAL 12 -6.779 5.508 -0.441 102 H CYS 13 HN CYS 13 -8.041 7.374 -3.824 103 HA CYS 13 HA CYS 13 -8.181 10.235 -4.515 104 HG CYS 13 HG CYS 13 -5.104 10.637 -5.184 105 HB2 CYS 13 2HB CYS 13 -6.942 7.956 -6.065 106 HB3 CYS 13 1HB CYS 13 -7.044 9.621 -6.630 107 H GLY 14 HN GLY 14 -9.878 7.300 -4.700 108 HA2 GLY 14 2HA GLY 14 -12.136 7.222 -5.341 109 HA3 GLY 14 1HA GLY 14 -11.881 8.646 -6.335 110 H LYS 15 HN LYS 15 -9.371 7.051 -7.375 111 HA LYS 15 HA LYS 15 -10.746 6.124 -9.710 112 HB2 LYS 15 2HB LYS 15 -7.828 6.050 -8.940 113 HB3 LYS 15 1HB LYS 15 -8.434 5.428 -10.467 114 HG2 LYS 15 2HG LYS 15 -9.410 7.745 -10.843 115 HG3 LYS 15 1HG LYS 15 -8.401 8.263 -9.489 116 HD2 LYS 15 2HD LYS 15 -6.410 7.461 -10.659 117 HD3 LYS 15 1HD LYS 15 -7.413 6.915 -12.004 118 HE2 LYS 15 2HE LYS 15 -8.169 9.281 -12.292 119 HE3 LYS 15 1HE LYS 15 -6.982 9.750 -11.076 120 HZ1 LYS 15 3HZ LYS 15 -6.421 8.490 -13.711 121 HZ2 LYS 15 1HZ LYS 15 -5.246 8.779 -12.523 122 HZ3 LYS 15 2HZ LYS 15 -6.059 10.079 -13.249 123 H ALA 16 HN ALA 16 -10.645 4.014 -10.610 124 HA ALA 16 HA ALA 16 -11.040 1.968 -8.618 125 HB1 ALA 16 1HB ALA 16 -11.760 0.585 -10.502 126 HB2 ALA 16 2HB ALA 16 -11.238 1.840 -11.627 127 HB3 ALA 16 3HB ALA 16 -12.563 2.153 -10.507 128 HA PRO 17 HA PRO 17 -7.074 0.028 -9.129 129 HB2 PRO 17 2HB PRO 17 -7.576 -2.422 -8.172 130 HB3 PRO 17 1HB PRO 17 -7.670 -0.998 -7.133 131 HG2 PRO 17 2HG PRO 17 -9.895 -2.499 -8.471 132 HG3 PRO 17 1HG PRO 17 -9.797 -1.898 -6.805 133 HD2 PRO 17 2HD PRO 17 -11.103 -0.590 -8.832 134 HD3 PRO 17 1HD PRO 17 -10.425 0.219 -7.405 135 H ARG 18 HN ARG 18 -6.861 0.091 -11.383 136 HA ARG 18 HA ARG 18 -8.122 -2.060 -12.926 137 HE ARG 18 HE ARG 18 -4.946 1.190 -15.972 138 HB2 ARG 18 2HB ARG 18 -7.436 -0.655 -14.905 139 HB3 ARG 18 1HB ARG 18 -8.625 0.070 -13.831 140 HG2 ARG 18 2HG ARG 18 -7.071 1.577 -12.947 141 HG3 ARG 18 1HG ARG 18 -5.697 0.663 -13.570 142 HD2 ARG 18 2HD ARG 18 -7.738 1.937 -15.371 143 HD3 ARG 18 1HD ARG 18 -6.307 2.799 -14.801 144 HH11 ARG 18 1HH1 ARG 18 -8.361 1.088 -16.726 145 HH12 ARG 18 2HH1 ARG 18 -8.135 0.327 -18.270 146 HH21 ARG 18 1HH2 ARG 18 -4.638 0.202 -18.016 147 HH22 ARG 18 2HH2 ARG 18 -6.023 -0.193 -18.998 148 H SER 19 HN SER 19 -5.454 -2.013 -11.294 149 HA SER 19 HA SER 19 -4.019 -3.612 -13.240 150 HG SER 19 HG SER 19 -3.946 -1.590 -14.328 151 HB2 SER 19 2HB SER 19 -2.720 -1.214 -11.921 152 HB3 SER 19 1HB SER 19 -1.892 -2.408 -12.919 153 H GLY 20 HN GLY 20 -4.126 -5.430 -12.042 154 HA2 GLY 20 2HA GLY 20 -2.748 -5.336 -9.431 155 HA3 GLY 20 1HA GLY 20 -4.207 -6.289 -9.670 156 H ASN 21 HN ASN 21 -1.857 -6.030 -12.201 157 HA ASN 21 HA ASN 21 -1.385 -8.890 -12.026 158 HB2 ASN 21 2HB ASN 21 -0.719 -6.827 -14.126 159 HB3 ASN 21 1HB ASN 21 -0.078 -8.465 -14.193 160 HD21 ASN 21 1HD2 ASN 21 -1.147 -8.924 -16.096 161 HD22 ASN 21 2HD2 ASN 21 -2.854 -9.182 -16.167 162 H THR 22 HN THR 22 -0.195 -8.638 -10.011 163 HA THR 22 HA THR 22 2.647 -8.599 -10.558 164 HB THR 22 HB THR 22 1.521 -6.793 -8.398 165 HG1 THR 22 1HG THR 22 1.878 -6.323 -10.995 166 HG21 THR 22 3HG2 THR 22 3.656 -7.789 -7.779 167 HG22 THR 22 1HG2 THR 22 3.859 -6.073 -8.127 168 HG23 THR 22 2HG2 THR 22 4.358 -7.278 -9.313 169 H VAL 23 HN VAL 23 3.178 -10.553 -9.783 170 HA VAL 23 HA VAL 23 1.778 -11.674 -7.520 171 HB VAL 23 HB VAL 23 3.330 -13.617 -7.814 172 HG11 VAL 23 1HG1 VAL 23 1.140 -13.579 -8.862 173 HG12 VAL 23 2HG1 VAL 23 2.309 -14.369 -9.920 174 HG13 VAL 23 3HG1 VAL 23 1.801 -12.713 -10.250 175 HG21 VAL 23 3HG2 VAL 23 4.667 -13.731 -9.882 176 HG22 VAL 23 1HG2 VAL 23 5.246 -12.473 -8.786 177 HG23 VAL 23 2HG2 VAL 23 4.291 -12.037 -10.203 178 H SER 24 HN SER 24 2.295 -11.317 -5.493 179 HA SER 24 HA SER 24 4.871 -10.107 -4.865 180 HG SER 24 HG SER 24 4.004 -9.693 -1.692 181 HB2 SER 24 2HB SER 24 2.641 -9.186 -4.026 182 HB3 SER 24 1HB SER 24 2.576 -10.586 -2.958 183 H HIS 25 HN HIS 25 5.909 -10.874 -2.750 184 HA HIS 25 HA HIS 25 5.715 -13.784 -2.482 185 HD1 HIS 25 1HD HIS 25 7.653 -15.784 -4.175 186 HD2 HIS 25 2HD HIS 25 7.376 -11.957 -5.797 187 HE1 HIS 25 1HE HIS 25 7.434 -16.110 -6.660 188 HE2 HIS 25 2HE HIS 25 7.432 -13.783 -7.632 189 HB2 HIS 25 2HB HIS 25 8.244 -12.262 -3.136 190 HB3 HIS 25 1HB HIS 25 8.242 -13.909 -2.524 191 H SER 26 HN SER 26 6.351 -14.596 -0.513 192 HA SER 26 HA SER 26 7.089 -14.714 1.624 193 HG SER 26 HG SER 26 9.807 -12.723 0.350 194 HB2 SER 26 2HB SER 26 8.102 -11.884 1.264 195 HB3 SER 26 1HB SER 26 8.517 -12.983 2.577 196 H ASP 27 HN ASP 27 4.591 -12.993 0.573 197 HA ASP 27 HA ASP 27 3.890 -11.525 2.941 198 HB2 ASP 27 2HB ASP 27 2.338 -12.278 0.467 199 HB3 ASP 27 1HB ASP 27 1.596 -11.427 1.818 200 H LYS 28 HN LYS 28 2.352 -14.310 1.359 201 HA LYS 28 HA LYS 28 0.741 -15.741 2.067 202 HB2 LYS 28 2HB LYS 28 1.434 -17.324 3.768 203 HB3 LYS 28 1HB LYS 28 2.769 -16.947 2.699 204 HG2 LYS 28 2HG LYS 28 2.565 -15.438 5.247 205 HG3 LYS 28 1HG LYS 28 3.063 -17.131 5.312 206 HD2 LYS 28 2HD LYS 28 4.879 -16.673 3.759 207 HD3 LYS 28 1HD LYS 28 4.359 -14.990 3.627 208 HE2 LYS 28 2HE LYS 28 4.753 -14.729 6.058 209 HE3 LYS 28 1HE LYS 28 5.387 -16.374 6.100 210 HZ1 LYS 28 3HZ LYS 28 6.505 -14.098 4.555 211 HZ2 LYS 28 1HZ LYS 28 7.092 -15.688 4.496 212 HZ3 LYS 28 2HZ LYS 28 7.183 -14.794 5.938 213 H LYS 29 HN LYS 29 0.302 -13.068 2.960 214 HA LYS 29 HA LYS 29 -0.743 -13.260 5.666 215 HB2 LYS 29 2HB LYS 29 -1.110 -10.861 5.466 216 HB3 LYS 29 1HB LYS 29 0.524 -11.255 4.946 217 HG2 LYS 29 2HG LYS 29 -0.433 -11.291 2.578 218 HG3 LYS 29 1HG LYS 29 -1.842 -10.492 3.269 219 HD2 LYS 29 2HD LYS 29 -0.399 -8.685 4.090 220 HD3 LYS 29 1HD LYS 29 1.000 -9.480 3.365 221 HE2 LYS 29 2HE LYS 29 -0.322 -9.368 1.171 222 HE3 LYS 29 1HE LYS 29 -1.355 -8.210 2.006 223 HZ1 LYS 29 3HZ LYS 29 0.570 -6.818 2.407 224 HZ2 LYS 29 1HZ LYS 29 0.388 -7.118 0.749 225 HZ3 LYS 29 2HZ LYS 29 1.578 -7.945 1.626 226 H SER 30 HN SER 30 -2.961 -12.564 6.134 227 HA SER 30 HA SER 30 -4.824 -12.525 3.930 228 HG SER 30 HG SER 30 -6.766 -15.375 4.633 229 HB2 SER 30 2HB SER 30 -4.552 -14.949 4.396 230 HB3 SER 30 1HB SER 30 -5.069 -14.664 6.056 231 H GLU 31 HN GLU 31 -5.505 -10.521 4.531 232 HA GLU 31 HA GLU 31 -6.884 -10.326 7.113 233 HB2 GLU 31 2HB GLU 31 -6.291 -8.167 5.060 234 HB3 GLU 31 1HB GLU 31 -7.087 -7.912 6.609 235 HG2 GLU 31 2HG GLU 31 -5.055 -8.668 7.765 236 HG3 GLU 31 1HG GLU 31 -4.257 -8.872 6.209 237 H ARG 32 HN ARG 32 -8.400 -11.890 6.362 238 HA ARG 32 HA ARG 32 -10.121 -12.810 5.238 239 HE ARG 32 HE ARG 32 -14.820 -11.504 3.377 240 HB2 ARG 32 2HB ARG 32 -11.285 -10.798 6.215 241 HB3 ARG 32 1HB ARG 32 -11.029 -9.977 4.681 242 HG2 ARG 32 2HG ARG 32 -12.379 -11.592 3.523 243 HG3 ARG 32 1HG ARG 32 -12.537 -12.570 4.981 244 HD2 ARG 32 2HD ARG 32 -13.806 -10.823 6.059 245 HD3 ARG 32 1HD ARG 32 -13.546 -9.743 4.689 246 HH11 ARG 32 1HH1 ARG 32 -15.380 -10.911 6.782 247 HH12 ARG 32 2HH1 ARG 32 -17.026 -11.467 6.736 248 HH21 ARG 32 1HH2 ARG 32 -17.009 -12.209 3.329 249 HH22 ARG 32 2HH2 ARG 32 -17.941 -12.171 4.795 250 H TRP 33 HN TRP 33 -7.897 -12.842 3.862 251 HA TRP 33 HA TRP 33 -6.981 -13.170 1.840 252 HD1 TRP 33 1HD TRP 33 -7.266 -15.613 -0.213 253 HE1 TRP 33 1HE TRP 33 -7.595 -17.928 0.864 254 HE3 TRP 33 3HE TRP 33 -10.763 -14.358 3.279 255 HZ2 TRP 33 2HZ TRP 33 -9.156 -19.068 2.935 256 HZ3 TRP 33 3HZ TRP 33 -11.630 -16.113 4.777 257 HH2 TRP 33 2HH TRP 33 -10.841 -18.421 4.607 258 HB2 TRP 33 2HB TRP 33 -9.894 -13.218 1.141 259 HB3 TRP 33 1HB TRP 33 -8.672 -13.364 -0.119 260 H PHE 34 HN PHE 34 -7.421 -12.236 -0.678 261 HA PHE 34 HA PHE 34 -6.850 -9.386 -0.330 262 HD1 PHE 34 1HD PHE 34 -5.056 -12.787 -1.018 263 HD2 PHE 34 2HD PHE 34 -3.974 -8.693 -1.443 264 HE1 PHE 34 1HE PHE 34 -2.900 -13.248 0.074 265 HE2 PHE 34 2HE PHE 34 -1.817 -9.143 -0.347 266 HZ PHE 34 HZ PHE 34 -1.277 -11.424 0.411 267 HB2 PHE 34 2HB PHE 34 -6.215 -11.283 -2.599 268 HB3 PHE 34 1HB PHE 34 -5.847 -9.562 -2.612 269 H ARG 35 HN ARG 35 -7.743 -7.849 -1.789 270 HA ARG 35 HA ARG 35 -10.388 -8.608 -2.794 271 HE ARG 35 HE ARG 35 -11.769 -6.565 1.261 272 HB2 ARG 35 2HB ARG 35 -9.153 -5.860 -2.484 273 HB3 ARG 35 1HB ARG 35 -10.816 -6.199 -2.938 274 HG2 ARG 35 2HG ARG 35 -9.527 -6.818 -0.287 275 HG3 ARG 35 1HG ARG 35 -10.693 -5.537 -0.619 276 HD2 ARG 35 2HD ARG 35 -12.340 -7.276 -1.271 277 HD3 ARG 35 1HD ARG 35 -11.179 -8.512 -0.784 278 HH11 ARG 35 1HH1 ARG 35 -12.688 -9.637 -0.148 279 HH12 ARG 35 2HH1 ARG 35 -13.540 -10.177 1.267 280 HH21 ARG 35 1HH2 ARG 35 -12.918 -7.242 3.104 281 HH22 ARG 35 2HH2 ARG 35 -13.647 -8.815 3.130 282 HA PRO 36 HA PRO 36 -9.259 -8.594 -7.056 283 HB2 PRO 36 2HB PRO 36 -11.467 -6.675 -7.572 284 HB3 PRO 36 1HB PRO 36 -11.162 -8.263 -8.285 285 HG2 PRO 36 2HG PRO 36 -13.097 -7.926 -6.484 286 HG3 PRO 36 1HG PRO 36 -12.104 -9.394 -6.495 287 HD2 PRO 36 2HD PRO 36 -11.962 -7.021 -4.680 288 HD3 PRO 36 1HD PRO 36 -11.744 -8.744 -4.305 289 H ASN 37 HN ASN 37 -7.320 -7.527 -7.016 290 HA ASN 37 HA ASN 37 -5.795 -5.999 -7.695 291 HB2 ASN 37 2HB ASN 37 -8.188 -4.494 -8.767 292 HB3 ASN 37 1HB ASN 37 -6.510 -4.080 -9.092 293 HD21 ASN 37 1HD2 ASN 37 -8.590 -4.747 -10.951 294 HD22 ASN 37 2HD2 ASN 37 -8.064 -6.148 -11.818 295 H LEU 38 HN LEU 38 -7.668 -5.639 -5.176 296 HA LEU 38 HA LEU 38 -6.737 -2.910 -4.574 297 HG LEU 38 HG LEU 38 -9.292 -2.468 -5.585 298 HB2 LEU 38 2HB LEU 38 -9.288 -4.291 -3.934 299 HB3 LEU 38 1HB LEU 38 -8.635 -3.194 -2.733 300 HD11 LEU 38 1HD1 LEU 38 -10.676 -1.799 -2.999 301 HD12 LEU 38 2HD1 LEU 38 -11.278 -2.887 -4.249 302 HD13 LEU 38 3HD1 LEU 38 -11.098 -1.167 -4.591 303 HD21 LEU 38 3HD2 LEU 38 -7.422 -1.169 -4.685 304 HD22 LEU 38 1HD2 LEU 38 -8.402 -0.741 -3.280 305 HD23 LEU 38 2HD2 LEU 38 -8.867 -0.176 -4.886 306 H GLN 39 HN GLN 39 -5.216 -2.786 -3.135 307 HA GLN 39 HA GLN 39 -5.006 -4.836 -1.044 308 HB2 GLN 39 2HB GLN 39 -3.035 -3.103 -2.428 309 HB3 GLN 39 1HB GLN 39 -2.755 -3.401 -0.724 310 HG2 GLN 39 2HG GLN 39 -3.258 -5.680 -2.587 311 HG3 GLN 39 1HG GLN 39 -1.661 -4.943 -2.477 312 HE21 GLN 39 1HE2 GLN 39 -3.821 -5.179 0.266 313 HE22 GLN 39 2HE2 GLN 39 -2.902 -6.348 1.138 314 H LYS 40 HN LYS 40 -6.020 -4.255 0.776 315 HA LYS 40 HA LYS 40 -6.199 -1.524 1.619 316 HB2 LYS 40 2HB LYS 40 -6.762 -4.162 2.939 317 HB3 LYS 40 1HB LYS 40 -6.656 -2.705 3.915 318 HG2 LYS 40 2HG LYS 40 -8.406 -1.715 2.391 319 HG3 LYS 40 1HG LYS 40 -8.620 -3.344 1.742 320 HD2 LYS 40 2HD LYS 40 -9.146 -4.176 3.971 321 HD3 LYS 40 1HD LYS 40 -8.894 -2.566 4.645 322 HE2 LYS 40 2HE LYS 40 -10.756 -1.718 3.299 323 HE3 LYS 40 1HE LYS 40 -11.004 -3.331 2.629 324 HZ1 LYS 40 3HZ LYS 40 -11.463 -4.129 4.886 325 HZ2 LYS 40 1HZ LYS 40 -12.556 -2.921 4.407 326 HZ3 LYS 40 2HZ LYS 40 -11.295 -2.551 5.482 327 H VAL 41 HN VAL 41 -4.504 -0.404 2.248 328 HA VAL 41 HA VAL 41 -2.334 -1.841 3.613 329 HB VAL 41 HB VAL 41 -0.880 0.083 3.044 330 HG11 VAL 41 1HG1 VAL 41 -2.216 -1.206 0.668 331 HG12 VAL 41 2HG1 VAL 41 -0.917 -1.907 1.631 332 HG13 VAL 41 3HG1 VAL 41 -0.621 -0.454 0.675 333 HG21 VAL 41 3HG2 VAL 41 -1.601 1.733 1.406 334 HG22 VAL 41 1HG2 VAL 41 -2.626 1.795 2.838 335 HG23 VAL 41 2HG2 VAL 41 -3.210 1.014 1.369 336 H ARG 42 HN ARG 42 -1.682 -1.223 5.574 337 HA ARG 42 HA ARG 42 -3.629 0.238 7.102 338 HE ARG 42 HE ARG 42 -3.652 -3.466 9.531 339 HB2 ARG 42 2HB ARG 42 -2.256 -1.940 7.679 340 HB3 ARG 42 1HB ARG 42 -1.049 -0.790 8.229 341 HG2 ARG 42 2HG ARG 42 -2.564 0.122 9.843 342 HG3 ARG 42 1HG ARG 42 -3.887 -0.863 9.212 343 HD2 ARG 42 2HD ARG 42 -1.365 -1.886 10.516 344 HD3 ARG 42 1HD ARG 42 -2.967 -1.847 11.249 345 HH11 ARG 42 1HH1 ARG 42 -0.240 -3.088 10.218 346 HH12 ARG 42 2HH1 ARG 42 0.188 -4.673 9.635 347 HH21 ARG 42 1HH2 ARG 42 -3.105 -5.567 8.758 348 HH22 ARG 42 2HH2 ARG 42 -1.446 -6.076 8.825 349 H VAL 43 HN VAL 43 -3.541 2.384 7.039 350 HA VAL 43 HA VAL 43 -0.903 3.693 6.959 351 HB VAL 43 HB VAL 43 -2.035 5.637 5.966 352 HG11 VAL 43 1HG1 VAL 43 -2.442 4.666 3.754 353 HG12 VAL 43 2HG1 VAL 43 -2.495 3.055 4.471 354 HG13 VAL 43 3HG1 VAL 43 -0.998 3.991 4.507 355 HG21 VAL 43 3HG2 VAL 43 -4.334 5.441 5.143 356 HG22 VAL 43 1HG2 VAL 43 -4.265 5.299 6.899 357 HG23 VAL 43 2HG2 VAL 43 -4.474 3.857 5.906 358 H VAL 44 HN VAL 44 -0.984 5.974 7.861 359 HA VAL 44 HA VAL 44 -2.310 5.862 10.472 360 HB VAL 44 HB VAL 44 0.117 5.954 10.628 361 HG11 VAL 44 1HG1 VAL 44 1.379 7.896 9.840 362 HG12 VAL 44 2HG1 VAL 44 -0.082 8.538 9.089 363 HG13 VAL 44 3HG1 VAL 44 0.618 7.027 8.504 364 HG21 VAL 44 3HG2 VAL 44 0.344 7.938 12.059 365 HG22 VAL 44 1HG2 VAL 44 -1.161 7.068 12.365 366 HG23 VAL 44 2HG2 VAL 44 -1.182 8.558 11.420 367 H LEU 45 HN LEU 45 -3.783 7.326 10.987 368 HA LEU 45 HA LEU 45 -4.431 9.403 9.060 369 HG LEU 45 HG LEU 45 -6.071 6.884 9.627 370 HB2 LEU 45 2HB LEU 45 -5.816 8.402 11.546 371 HB3 LEU 45 1HB LEU 45 -6.412 9.731 10.579 372 HD11 LEU 45 1HD1 LEU 45 -8.536 8.482 10.290 373 HD12 LEU 45 2HD1 LEU 45 -7.909 7.094 11.183 374 HD13 LEU 45 3HD1 LEU 45 -8.526 6.882 9.543 375 HD21 LEU 45 3HD2 LEU 45 -7.200 7.630 7.602 376 HD22 LEU 45 1HD2 LEU 45 -5.700 8.524 7.847 377 HD23 LEU 45 2HD2 LEU 45 -7.248 9.278 8.227 378 HA PRO 46 HA PRO 46 -2.353 12.614 11.206 379 HB2 PRO 46 2HB PRO 46 -4.561 14.406 10.406 380 HB3 PRO 46 1HB PRO 46 -2.844 14.485 9.996 381 HG2 PRO 46 2HG PRO 46 -4.658 13.755 8.177 382 HG3 PRO 46 1HG PRO 46 -3.059 12.991 8.238 383 HD2 PRO 46 2HD PRO 46 -5.686 11.971 9.262 384 HD3 PRO 46 1HD PRO 46 -4.411 11.104 8.378 385 H ASP 47 HN ASP 47 -5.569 11.739 11.950 386 HA ASP 47 HA ASP 47 -5.881 13.549 14.180 387 HB2 ASP 47 2HB ASP 47 -7.546 11.120 13.485 388 HB3 ASP 47 1HB ASP 47 -7.996 12.439 14.561 389 H GLY 48 HN GLY 48 -4.085 10.838 13.685 390 HA2 GLY 48 2HA GLY 48 -2.763 9.753 15.286 391 HA3 GLY 48 1HA GLY 48 -3.816 10.376 16.548 392 H THR 49 HN THR 49 -4.271 8.352 13.664 393 HA THR 49 HA THR 49 -5.168 6.141 15.320 394 HB THR 49 HB THR 49 -6.963 7.079 13.093 395 HG1 THR 49 1HG THR 49 -6.920 7.833 15.830 396 HG21 THR 49 3HG2 THR 49 -7.454 5.290 15.478 397 HG22 THR 49 1HG2 THR 49 -7.210 4.746 13.815 398 HG23 THR 49 2HG2 THR 49 -8.634 5.702 14.232 399 H ILE 50 HN ILE 50 -5.382 4.151 14.079 400 HA ILE 50 HA ILE 50 -3.827 4.204 11.574 401 HB ILE 50 HB ILE 50 -4.009 2.006 13.647 402 HG12 ILE 50 2HG1 ILE 50 -2.571 3.900 14.309 403 HG13 ILE 50 1HG1 ILE 50 -1.635 2.435 14.019 404 HG21 ILE 50 1HG2 ILE 50 -2.369 0.810 12.290 405 HG22 ILE 50 2HG2 ILE 50 -2.466 2.069 11.060 406 HG23 ILE 50 3HG2 ILE 50 -3.875 1.067 11.408 407 HD11 ILE 50 3HD1 ILE 50 -1.927 4.744 12.113 408 HD12 ILE 50 1HD1 ILE 50 -0.978 3.284 11.833 409 HD13 ILE 50 2HD1 ILE 50 -0.523 4.398 13.120 410 H LYS 51 HN LYS 51 -4.816 3.435 9.792 411 HA LYS 51 HA LYS 51 -7.324 1.954 10.138 412 HB2 LYS 51 2HB LYS 51 -7.833 4.366 9.936 413 HB3 LYS 51 1HB LYS 51 -6.992 4.399 8.393 414 HG2 LYS 51 2HG LYS 51 -8.639 2.751 7.529 415 HG3 LYS 51 1HG LYS 51 -9.518 2.895 9.052 416 HD2 LYS 51 2HD LYS 51 -9.719 5.346 8.620 417 HD3 LYS 51 1HD LYS 51 -8.994 5.076 7.035 418 HE2 LYS 51 2HE LYS 51 -11.369 5.151 6.757 419 HE3 LYS 51 1HE LYS 51 -10.844 3.481 6.535 420 HZ1 LYS 51 3HZ LYS 51 -11.595 2.925 8.713 421 HZ2 LYS 51 1HZ LYS 51 -12.861 3.740 7.930 422 HZ3 LYS 51 2HZ LYS 51 -11.921 4.551 9.084 423 H ARG 52 HN ARG 52 -7.762 0.461 8.592 424 HA ARG 52 HA ARG 52 -5.832 0.089 6.429 425 HE ARG 52 HE ARG 52 -5.477 -4.972 8.834 426 HB2 ARG 52 2HB ARG 52 -8.247 -1.559 7.205 427 HB3 ARG 52 1HB ARG 52 -7.122 -1.963 5.922 428 HG2 ARG 52 2HG ARG 52 -5.346 -2.273 7.535 429 HG3 ARG 52 1HG ARG 52 -6.435 -1.791 8.848 430 HD2 ARG 52 2HD ARG 52 -7.958 -3.640 8.121 431 HD3 ARG 52 1HD ARG 52 -6.684 -4.184 7.036 432 HH11 ARG 52 1HH1 ARG 52 -8.305 -3.204 9.946 433 HH12 ARG 52 2HH1 ARG 52 -8.221 -3.836 11.568 434 HH21 ARG 52 1HH2 ARG 52 -5.375 -5.811 10.956 435 HH22 ARG 52 2HH2 ARG 52 -6.554 -5.318 12.136 436 H MET 53 HN MET 53 -6.192 0.999 4.518 437 HA MET 53 HA MET 53 -8.991 1.437 3.711 438 HB2 MET 53 2HB MET 53 -6.677 3.310 3.202 439 HB3 MET 53 1HB MET 53 -8.286 3.486 2.512 440 HG2 MET 53 2HG MET 53 -9.125 3.530 4.918 441 HG3 MET 53 1HG MET 53 -7.438 3.771 5.369 442 HE1 MET 53 3HE MET 53 -5.963 5.819 4.347 443 HE2 MET 53 1HE MET 53 -6.658 7.111 3.368 444 HE3 MET 53 2HE MET 53 -6.543 5.474 2.717 445 H ARG 54 HN ARG 54 -9.487 1.267 1.543 446 HA ARG 54 HA ARG 54 -7.827 -0.607 0.098 447 HE ARG 54 HE ARG 54 -12.198 0.417 0.962 448 HB2 ARG 54 2HB ARG 54 -10.468 0.708 -0.563 449 HB3 ARG 54 1HB ARG 54 -9.674 -0.474 -1.596 450 HG2 ARG 54 2HG ARG 54 -9.993 -2.205 -0.062 451 HG3 ARG 54 1HG ARG 54 -10.347 -1.089 1.257 452 HD2 ARG 54 2HD ARG 54 -12.080 -1.423 -1.184 453 HD3 ARG 54 1HD ARG 54 -12.339 -2.281 0.334 454 HH11 ARG 54 1HH1 ARG 54 -14.249 -1.684 -0.938 455 HH12 ARG 54 2HH1 ARG 54 -15.668 -0.714 -0.723 456 HH21 ARG 54 1HH2 ARG 54 -14.058 1.704 1.266 457 HH22 ARG 54 2HH2 ARG 54 -15.556 1.227 0.516 458 H VAL 55 HN VAL 55 -6.111 0.130 -0.938 459 HA VAL 55 HA VAL 55 -6.335 2.721 -2.329 460 HB VAL 55 HB VAL 55 -3.793 1.467 -1.280 461 HG11 VAL 55 1HG1 VAL 55 -2.842 3.698 -1.688 462 HG12 VAL 55 2HG1 VAL 55 -4.374 4.204 -2.395 463 HG13 VAL 55 3HG1 VAL 55 -3.423 2.934 -3.165 464 HG21 VAL 55 3HG2 VAL 55 -5.311 2.107 0.557 465 HG22 VAL 55 1HG2 VAL 55 -5.392 3.743 -0.102 466 HG23 VAL 55 2HG2 VAL 55 -3.860 3.110 0.505 467 H CYS 56 HN CYS 56 -5.864 2.811 -4.433 468 HA CYS 56 HA CYS 56 -5.626 0.367 -5.899 469 HG CYS 56 HG CYS 56 -6.592 2.093 -9.361 470 HB2 CYS 56 2HB CYS 56 -6.955 2.212 -6.775 471 HB3 CYS 56 1HB CYS 56 -5.541 3.255 -6.805 472 H THR 57 HN THR 57 -3.915 -0.268 -7.242 473 HA THR 57 HA THR 57 -1.343 -0.074 -6.213 474 HB THR 57 HB THR 57 -1.919 -0.639 -9.120 475 HG1 THR 57 1HG THR 57 -2.655 -2.637 -8.527 476 HG21 THR 57 3HG2 THR 57 -0.083 -2.232 -8.878 477 HG22 THR 57 1HG2 THR 57 0.063 -1.825 -7.167 478 HG23 THR 57 2HG2 THR 57 0.443 -0.620 -8.397 479 H SER 58 HN SER 58 -2.958 1.927 -8.605 480 HA SER 58 HA SER 58 -0.752 3.320 -9.611 481 HG SER 58 HG SER 58 -2.365 5.425 -11.212 482 HB2 SER 58 2HB SER 58 -2.965 3.527 -10.611 483 HB3 SER 58 1HB SER 58 -3.596 4.261 -9.139 484 H CYS 59 HN CYS 59 -2.832 4.031 -6.831 485 HA CYS 59 HA CYS 59 -1.430 6.349 -6.012 486 HG CYS 59 HG CYS 59 -4.028 6.630 -6.834 487 HB2 CYS 59 2HB CYS 59 -3.189 4.527 -4.364 488 HB3 CYS 59 1HB CYS 59 -2.813 6.210 -4.031 489 H LEU 60 HN LEU 60 -1.271 2.941 -5.186 490 HA LEU 60 HA LEU 60 0.523 3.104 -3.031 491 HG LEU 60 HG LEU 60 -1.888 1.363 -3.473 492 HB2 LEU 60 2HB LEU 60 -0.032 0.919 -5.031 493 HB3 LEU 60 1HB LEU 60 1.052 0.705 -3.672 494 HD11 LEU 60 1HD1 LEU 60 -1.540 -0.904 -4.263 495 HD12 LEU 60 2HD1 LEU 60 -2.098 -0.920 -2.590 496 HD13 LEU 60 3HD1 LEU 60 -0.398 -1.208 -2.954 497 HD21 LEU 60 3HD2 LEU 60 -1.603 0.955 -1.085 498 HD22 LEU 60 1HD2 LEU 60 -0.584 2.289 -1.621 499 HD23 LEU 60 2HD2 LEU 60 0.127 0.700 -1.322 500 H LYS 61 HN LYS 61 1.056 2.808 -6.510 501 HA LYS 61 HA LYS 61 3.886 2.528 -6.277 502 HB2 LYS 61 2HB LYS 61 2.556 1.710 -8.222 503 HB3 LYS 61 1HB LYS 61 2.276 3.380 -8.689 504 HG2 LYS 61 2HG LYS 61 4.057 2.403 -10.009 505 HG3 LYS 61 1HG LYS 61 4.679 3.702 -8.990 506 HD2 LYS 61 2HD LYS 61 5.454 2.020 -7.364 507 HD3 LYS 61 1HD LYS 61 4.882 0.740 -8.436 508 HE2 LYS 61 2HE LYS 61 7.251 1.004 -8.737 509 HE3 LYS 61 1HE LYS 61 6.430 1.588 -10.186 510 HZ1 LYS 61 3HZ LYS 61 6.713 3.858 -9.393 511 HZ2 LYS 61 1HZ LYS 61 8.214 3.074 -9.492 512 HZ3 LYS 61 2HZ LYS 61 7.475 3.301 -7.987 513 H SER 62 HN SER 62 1.703 5.237 -6.905 514 HA SER 62 HA SER 62 3.759 7.122 -7.420 515 HG SER 62 HG SER 62 2.977 9.268 -7.341 516 HB2 SER 62 2HB SER 62 1.401 7.447 -8.116 517 HB3 SER 62 1HB SER 62 0.936 7.599 -6.425 518 H GLY 63 HN GLY 63 2.127 6.005 -4.518 519 HA2 GLY 63 2HA GLY 63 2.726 6.136 -2.315 520 HA3 GLY 63 1HA GLY 63 4.331 6.576 -2.874 521 H LYS 64 HN LYS 64 1.665 8.602 -3.785 522 HA LYS 64 HA LYS 64 2.831 10.729 -2.171 523 HB2 LYS 64 2HB LYS 64 1.344 12.224 -3.527 524 HB3 LYS 64 1HB LYS 64 2.530 11.324 -4.452 525 HG2 LYS 64 2HG LYS 64 0.612 11.211 -5.747 526 HG3 LYS 64 1HG LYS 64 0.634 9.662 -4.908 527 HD2 LYS 64 2HD LYS 64 -1.041 10.388 -3.368 528 HD3 LYS 64 1HD LYS 64 -0.942 12.049 -3.955 529 HE2 LYS 64 2HE LYS 64 -1.835 9.693 -5.615 530 HE3 LYS 64 1HE LYS 64 -2.928 10.803 -4.789 531 HZ1 LYS 64 3HZ LYS 64 -2.692 11.445 -7.075 532 HZ2 LYS 64 1HZ LYS 64 -1.006 11.495 -6.949 533 HZ3 LYS 64 2HZ LYS 64 -1.958 12.620 -6.107 534 H VAL 65 HN VAL 65 1.028 8.540 -1.139 535 HA VAL 65 HA VAL 65 -1.204 10.160 -0.137 536 HB VAL 65 HB VAL 65 -2.244 8.057 0.548 537 HG11 VAL 65 1HG1 VAL 65 -1.284 8.017 -2.311 538 HG12 VAL 65 2HG1 VAL 65 -2.698 8.871 -1.692 539 HG13 VAL 65 3HG1 VAL 65 -2.655 7.108 -1.680 540 HG21 VAL 65 3HG2 VAL 65 -1.260 5.901 -0.065 541 HG22 VAL 65 1HG2 VAL 65 -0.234 6.784 1.065 542 HG23 VAL 65 2HG2 VAL 65 0.186 6.728 -0.646 543 H LYS 66 HN LYS 66 -1.792 9.893 2.156 544 HA LYS 66 HA LYS 66 0.450 10.083 3.906 545 HB2 LYS 66 2HB LYS 66 -2.506 9.807 4.517 546 HB3 LYS 66 1HB LYS 66 -1.265 10.198 5.701 547 HG2 LYS 66 2HG LYS 66 -0.769 12.267 4.550 548 HG3 LYS 66 1HG LYS 66 -1.938 11.873 3.288 549 HD2 LYS 66 2HD LYS 66 -3.749 11.966 4.902 550 HD3 LYS 66 1HD LYS 66 -2.598 12.249 6.209 551 HE2 LYS 66 2HE LYS 66 -3.658 14.335 5.541 552 HE3 LYS 66 1HE LYS 66 -1.937 14.362 5.170 553 HZ1 LYS 66 3HZ LYS 66 -4.065 13.747 3.190 554 HZ2 LYS 66 1HZ LYS 66 -2.409 13.952 2.873 555 HZ3 LYS 66 2HZ LYS 66 -3.353 15.270 3.389 556 H LYS 67 HN LYS 67 1.629 8.374 4.439 557 HA LYS 67 HA LYS 67 0.302 5.742 4.504 558 HB2 LYS 67 2HB LYS 67 2.372 4.837 3.490 559 HB3 LYS 67 1HB LYS 67 1.577 6.016 2.452 560 HG2 LYS 67 2HG LYS 67 3.189 7.709 3.567 561 HG3 LYS 67 1HG LYS 67 4.115 6.274 4.006 562 HD2 LYS 67 2HD LYS 67 4.268 5.645 1.656 563 HD3 LYS 67 1HD LYS 67 3.302 7.053 1.204 564 HE2 LYS 67 2HE LYS 67 5.053 8.491 2.256 565 HE3 LYS 67 1HE LYS 67 6.034 7.044 2.478 566 HZ1 LYS 67 3HZ LYS 67 5.935 6.721 0.037 567 HZ2 LYS 67 1HZ LYS 67 6.731 8.147 0.505 568 HZ3 LYS 67 2HZ LYS 67 5.151 8.223 -0.100 569 H TYR 68 HN TYR 68 1.134 4.187 5.919 570 HA TYR 68 HA TYR 68 3.001 5.201 7.958 571 HD1 TYR 68 1HD TYR 68 2.514 5.826 10.186 572 HD2 TYR 68 2HD TYR 68 1.620 1.666 10.175 573 HE1 TYR 68 1HE TYR 68 3.427 5.630 12.457 574 HE2 TYR 68 2HE TYR 68 2.537 1.461 12.450 575 HH TYR 68 HH TYR 68 3.166 4.144 14.414 576 HB2 TYR 68 2HB TYR 68 0.615 4.594 8.665 577 HB3 TYR 68 1HB TYR 68 1.047 2.922 8.328 578 H VAL 69 HN VAL 69 3.276 3.770 5.284 579 HA VAL 69 HA VAL 69 4.619 2.256 4.286 580 HB VAL 69 HB VAL 69 5.851 1.864 7.023 581 HG11 VAL 69 1HG1 VAL 69 6.331 0.007 5.519 582 HG12 VAL 69 2HG1 VAL 69 7.777 0.976 5.798 583 HG13 VAL 69 3HG1 VAL 69 6.888 1.137 4.283 584 HG21 VAL 69 3HG2 VAL 69 6.006 4.178 6.267 585 HG22 VAL 69 1HG2 VAL 69 6.681 3.642 4.729 586 HG23 VAL 69 2HG2 VAL 69 7.590 3.400 6.220 587 H GLY 70 HN GLY 70 3.013 0.870 3.725 588 HA2 GLY 70 2HA GLY 70 2.695 -1.495 5.464 589 HA3 GLY 70 1HA GLY 70 1.396 -0.853 4.468 590 H GLN 71 HN GLN 71 4.633 -0.895 3.293 591 HA GLN 71 HA GLN 71 4.016 -3.196 1.580 592 HB2 GLN 71 2HB GLN 71 3.745 -1.092 0.322 593 HB3 GLN 71 1HB GLN 71 5.390 -0.640 0.733 594 HG2 GLN 71 2HG GLN 71 6.273 -2.467 -0.545 595 HG3 GLN 71 1HG GLN 71 4.651 -3.078 -0.862 596 HE21 GLN 71 1HE2 GLN 71 3.339 -2.029 -2.347 597 HE22 GLN 71 2HE2 GLN 71 3.972 -0.869 -3.467 598 H VAL 72 HN VAL 72 5.448 -4.752 1.814 599 HA VAL 72 HA VAL 72 8.128 -4.053 2.847 600 HB VAL 72 HB VAL 72 8.099 -6.225 4.063 601 HG11 VAL 72 1HG1 VAL 72 5.912 -4.278 4.795 602 HG12 VAL 72 2HG1 VAL 72 7.613 -4.167 5.253 603 HG13 VAL 72 3HG1 VAL 72 6.612 -5.477 5.881 604 HG21 VAL 72 3HG2 VAL 72 5.948 -7.345 4.446 605 HG22 VAL 72 1HG2 VAL 72 6.407 -7.384 2.744 606 HG23 VAL 72 2HG2 VAL 72 5.179 -6.249 3.299 607 H SER 73 HN SER 73 7.050 -4.623 0.094 608 HA SER 73 HA SER 73 7.830 -7.133 -0.821 609 HG SER 73 HG SER 73 7.302 -6.162 -4.045 610 HB2 SER 73 2HB SER 73 6.504 -5.490 -2.137 611 HB3 SER 73 1HB SER 73 7.964 -4.521 -2.350 612 H GLU 74 HN GLU 74 9.716 -7.956 -1.669 613 HA GLU 74 HA GLU 74 12.121 -6.766 -0.578 614 HB2 GLU 74 2HB GLU 74 11.666 -9.409 -1.963 615 HB3 GLU 74 1HB GLU 74 13.179 -8.906 -1.222 616 HG2 GLU 74 2HG GLU 74 12.163 -8.858 0.950 617 HG3 GLU 74 1HG GLU 74 10.575 -9.188 0.257 618 H VAL 75 HN VAL 75 10.510 -6.743 -3.542 619 HA VAL 75 HA VAL 75 12.995 -6.317 -5.035 620 HB VAL 75 HB VAL 75 11.582 -6.345 -7.078 621 HG11 VAL 75 1HG1 VAL 75 12.670 -8.385 -6.316 622 HG12 VAL 75 2HG1 VAL 75 11.106 -8.753 -7.044 623 HG13 VAL 75 3HG1 VAL 75 11.284 -8.755 -5.290 624 HG21 VAL 75 3HG2 VAL 75 9.259 -7.134 -6.915 625 HG22 VAL 75 1HG2 VAL 75 9.482 -5.574 -6.117 626 HG23 VAL 75 2HG2 VAL 75 9.365 -7.049 -5.157 627 H GLY 76 HN GLY 76 13.602 -4.368 -5.789 628 HA2 GLY 76 2HA GLY 76 12.340 -2.023 -4.775 629 HA3 GLY 76 1HA GLY 76 13.679 -2.069 -5.914 630 H SER 77 HN SER 77 12.964 -2.928 -8.152 631 HA SER 77 HA SER 77 10.237 -2.414 -8.901 632 HG SER 77 HG SER 77 10.857 -0.297 -7.954 633 HB2 SER 77 2HB SER 77 12.454 -0.641 -9.963 634 HB3 SER 77 1HB SER 77 10.841 -0.747 -10.664 Start of MODEL 2 1 HA GLN 1 HA GLN 1 -28.767 12.953 -11.995 2 H1 GLN 1 1HT GLN 1 -28.796 10.917 -9.854 3 H2 GLN 1 2HT GLN 1 -29.369 10.731 -11.440 4 H3 GLN 1 3HT GLN 1 -30.141 11.805 -10.384 5 HB2 GLN 1 2HB GLN 1 -27.243 14.096 -10.182 6 HB3 GLN 1 1HB GLN 1 -28.989 14.282 -10.142 7 HG2 GLN 1 2HG GLN 1 -28.034 13.867 -7.930 8 HG3 GLN 1 1HG GLN 1 -29.173 12.616 -8.411 9 HE21 GLN 1 1HE2 GLN 1 -25.851 13.381 -7.772 10 HE22 GLN 1 2HE2 GLN 1 -25.279 11.752 -7.718 11 H GLY 2 HN GLY 2 -27.701 10.124 -11.839 12 HA2 GLY 2 2HA GLY 2 -25.421 10.273 -13.246 13 HA3 GLY 2 1HA GLY 2 -24.834 10.498 -11.603 14 H HIS 3 HN HIS 3 -24.842 8.273 -13.817 15 HA HIS 3 HA HIS 3 -25.899 6.031 -12.302 16 HD1 HIS 3 1HD HIS 3 -26.477 7.698 -15.850 17 HD2 HIS 3 2HD HIS 3 -27.608 4.001 -14.317 18 HE1 HIS 3 1HE HIS 3 -28.858 7.350 -16.597 19 HE2 HIS 3 2HE HIS 3 -29.468 5.043 -15.773 20 HB2 HIS 3 2HB HIS 3 -24.519 6.251 -14.977 21 HB3 HIS 3 1HB HIS 3 -24.916 4.698 -14.249 22 H MET 4 HN MET 4 -22.831 7.535 -12.928 23 HA MET 4 HA MET 4 -21.308 5.278 -11.942 24 HB2 MET 4 2HB MET 4 -20.606 7.000 -13.764 25 HB3 MET 4 1HB MET 4 -20.201 8.035 -12.406 26 HG2 MET 4 2HG MET 4 -19.064 5.289 -12.881 27 HG3 MET 4 1HG MET 4 -18.269 6.797 -13.317 28 HE1 MET 4 3HE MET 4 -16.108 5.520 -10.319 29 HE2 MET 4 1HE MET 4 -16.084 6.099 -11.986 30 HE3 MET 4 2HE MET 4 -16.857 4.562 -11.596 31 H ILE 5 HN ILE 5 -21.865 4.978 -9.825 32 HA ILE 5 HA ILE 5 -20.841 6.959 -7.962 33 HB ILE 5 HB ILE 5 -23.139 7.651 -8.083 34 HG12 ILE 5 2HG1 ILE 5 -22.711 5.980 -5.597 35 HG13 ILE 5 1HG1 ILE 5 -22.124 7.620 -5.846 36 HG21 ILE 5 1HG2 ILE 5 -25.010 6.143 -7.644 37 HG22 ILE 5 2HG2 ILE 5 -23.893 4.782 -7.532 38 HG23 ILE 5 3HG2 ILE 5 -24.091 5.640 -9.061 39 HD11 ILE 5 3HD1 ILE 5 -24.426 8.426 -5.963 40 HD12 ILE 5 1HD1 ILE 5 -24.109 7.584 -4.443 41 HD13 ILE 5 2HD1 ILE 5 -25.011 6.780 -5.725 42 H MET 6 HN MET 6 -19.641 6.003 -6.530 43 HA MET 6 HA MET 6 -18.624 4.462 -5.232 44 HB2 MET 6 2HB MET 6 -21.116 4.591 -4.321 45 HB3 MET 6 1HB MET 6 -21.143 2.920 -4.862 46 HG2 MET 6 2HG MET 6 -19.257 4.129 -2.856 47 HG3 MET 6 1HG MET 6 -20.579 3.014 -2.526 48 HE1 MET 6 3HE MET 6 -17.331 0.922 -1.767 49 HE2 MET 6 1HE MET 6 -18.852 1.532 -1.114 50 HE3 MET 6 2HE MET 6 -17.551 2.655 -1.515 51 H ALA 7 HN ALA 7 -17.394 3.578 -6.907 52 HA ALA 7 HA ALA 7 -18.394 1.033 -8.013 53 HB1 ALA 7 1HB ALA 7 -17.859 2.738 -9.692 54 HB2 ALA 7 2HB ALA 7 -16.793 1.340 -9.821 55 HB3 ALA 7 3HB ALA 7 -16.210 2.827 -9.072 56 H LYS 8 HN LYS 8 -17.173 1.484 -5.366 57 HA LYS 8 HA LYS 8 -15.565 0.724 -3.965 58 HB2 LYS 8 2HB LYS 8 -15.280 -1.419 -6.085 59 HB3 LYS 8 1HB LYS 8 -14.605 -1.508 -4.461 60 HG2 LYS 8 2HG LYS 8 -16.861 -1.378 -3.516 61 HG3 LYS 8 1HG LYS 8 -17.534 -1.295 -5.143 62 HD2 LYS 8 2HD LYS 8 -16.571 -3.522 -5.616 63 HD3 LYS 8 1HD LYS 8 -15.999 -3.601 -3.945 64 HE2 LYS 8 2HE LYS 8 -18.319 -3.369 -3.160 65 HE3 LYS 8 1HE LYS 8 -18.872 -3.337 -4.831 66 HZ1 LYS 8 3HZ LYS 8 -19.157 -5.517 -3.918 67 HZ2 LYS 8 1HZ LYS 8 -17.527 -5.603 -3.458 68 HZ3 LYS 8 2HZ LYS 8 -17.949 -5.585 -5.103 69 H ARG 9 HN ARG 9 -14.400 2.598 -4.312 70 HA ARG 9 HA ARG 9 -12.296 2.618 -6.340 71 HE ARG 9 HE ARG 9 -14.382 6.487 -2.241 72 HB2 ARG 9 2HB ARG 9 -12.202 5.022 -5.862 73 HB3 ARG 9 1HB ARG 9 -13.853 4.522 -6.222 74 HG2 ARG 9 2HG ARG 9 -14.416 4.520 -3.880 75 HG3 ARG 9 1HG ARG 9 -12.745 4.867 -3.442 76 HD2 ARG 9 2HD ARG 9 -12.970 7.014 -4.734 77 HD3 ARG 9 1HD ARG 9 -14.698 6.667 -4.859 78 HH11 ARG 9 1HH1 ARG 9 -13.166 8.904 -4.460 79 HH12 ARG 9 2HH1 ARG 9 -13.048 10.141 -3.249 80 HH21 ARG 9 1HH2 ARG 9 -14.246 8.086 -0.658 81 HH22 ARG 9 2HH2 ARG 9 -13.663 9.671 -1.069 82 H CYS 10 HN CYS 10 -10.310 3.986 -5.546 83 HA CYS 10 HA CYS 10 -9.075 2.846 -3.257 84 HG CYS 10 HG CYS 10 -5.749 5.238 -3.900 85 HB2 CYS 10 2HB CYS 10 -7.775 3.856 -5.091 86 HB3 CYS 10 1HB CYS 10 -8.470 5.431 -4.731 87 H GLU 11 HN GLU 11 -9.496 3.293 -1.161 88 HA GLU 11 HA GLU 11 -11.468 5.252 -0.497 89 HB2 GLU 11 2HB GLU 11 -9.726 3.533 1.280 90 HB3 GLU 11 1HB GLU 11 -11.069 4.516 1.844 91 HG2 GLU 11 2HG GLU 11 -12.577 3.215 0.369 92 HG3 GLU 11 1HG GLU 11 -11.216 2.173 -0.037 93 H VAL 12 HN VAL 12 -8.152 5.440 -0.961 94 HA VAL 12 HA VAL 12 -7.637 7.558 0.928 95 HB VAL 12 HB VAL 12 -5.951 6.602 -1.394 96 HG11 VAL 12 1HG1 VAL 12 -5.251 8.379 0.946 97 HG12 VAL 12 2HG1 VAL 12 -5.382 8.879 -0.740 98 HG13 VAL 12 3HG1 VAL 12 -4.110 7.761 -0.248 99 HG21 VAL 12 3HG2 VAL 12 -5.802 5.953 1.546 100 HG22 VAL 12 1HG2 VAL 12 -4.644 5.444 0.319 101 HG23 VAL 12 2HG2 VAL 12 -6.306 4.859 0.259 102 H CYS 13 HN CYS 13 -7.241 7.510 -2.627 103 HA CYS 13 HA CYS 13 -7.886 10.367 -2.632 104 HG CYS 13 HG CYS 13 -4.987 11.089 -3.125 105 HB2 CYS 13 2HB CYS 13 -6.670 8.641 -4.799 106 HB3 CYS 13 1HB CYS 13 -6.902 10.384 -4.893 107 H GLY 14 HN GLY 14 -8.781 7.381 -4.303 108 HA2 GLY 14 2HA GLY 14 -11.209 7.046 -4.573 109 HA3 GLY 14 1HA GLY 14 -11.279 8.716 -5.108 110 H LYS 15 HN LYS 15 -8.594 6.829 -6.173 111 HA LYS 15 HA LYS 15 -9.488 7.066 -8.889 112 HB2 LYS 15 2HB LYS 15 -6.966 5.958 -7.667 113 HB3 LYS 15 1HB LYS 15 -7.268 5.962 -9.400 114 HG2 LYS 15 2HG LYS 15 -7.486 8.408 -9.341 115 HG3 LYS 15 1HG LYS 15 -7.129 8.384 -7.613 116 HD2 LYS 15 2HD LYS 15 -4.918 7.568 -8.008 117 HD3 LYS 15 1HD LYS 15 -5.266 7.296 -9.717 118 HE2 LYS 15 2HE LYS 15 -3.954 9.316 -9.450 119 HE3 LYS 15 1HE LYS 15 -5.570 9.713 -10.028 120 HZ1 LYS 15 3HZ LYS 15 -6.182 10.317 -7.759 121 HZ2 LYS 15 1HZ LYS 15 -4.865 11.235 -8.309 122 HZ3 LYS 15 2HZ LYS 15 -4.611 9.954 -7.228 123 H ALA 16 HN ALA 16 -8.779 4.978 -10.274 124 HA ALA 16 HA ALA 16 -10.695 2.955 -9.347 125 HB1 ALA 16 1HB ALA 16 -11.284 2.597 -11.673 126 HB2 ALA 16 2HB ALA 16 -10.081 3.784 -12.179 127 HB3 ALA 16 3HB ALA 16 -11.480 4.292 -11.234 128 HA PRO 17 HA PRO 17 -6.859 0.417 -9.609 129 HB2 PRO 17 2HB PRO 17 -7.876 -1.522 -7.974 130 HB3 PRO 17 1HB PRO 17 -7.031 -0.091 -7.377 131 HG2 PRO 17 2HG PRO 17 -9.977 -0.595 -7.593 132 HG3 PRO 17 1HG PRO 17 -9.060 0.132 -6.258 133 HD2 PRO 17 2HD PRO 17 -10.426 1.644 -8.002 134 HD3 PRO 17 1HD PRO 17 -8.869 2.174 -7.331 135 H ARG 18 HN ARG 18 -6.517 -1.414 -10.861 136 HA ARG 18 HA ARG 18 -8.768 -3.088 -11.599 137 HE ARG 18 HE ARG 18 -5.305 0.292 -15.249 138 HB2 ARG 18 2HB ARG 18 -8.571 -2.811 -13.960 139 HB3 ARG 18 1HB ARG 18 -8.739 -1.210 -13.263 140 HG2 ARG 18 2HG ARG 18 -6.118 -2.428 -14.108 141 HG3 ARG 18 1HG ARG 18 -7.095 -1.361 -15.114 142 HD2 ARG 18 2HD ARG 18 -6.905 0.360 -13.296 143 HD3 ARG 18 1HD ARG 18 -5.743 -0.705 -12.507 144 HH11 ARG 18 1HH1 ARG 18 -4.190 -0.203 -11.964 145 HH12 ARG 18 2HH1 ARG 18 -2.598 0.411 -12.271 146 HH21 ARG 18 1HH2 ARG 18 -3.229 1.143 -15.645 147 HH22 ARG 18 2HH2 ARG 18 -2.066 1.230 -14.355 148 H SER 19 HN SER 19 -5.966 -3.093 -10.308 149 HA SER 19 HA SER 19 -4.550 -4.981 -12.006 150 HG SER 19 HG SER 19 -4.364 -3.997 -8.563 151 HB2 SER 19 2HB SER 19 -2.824 -4.795 -10.132 152 HB3 SER 19 1HB SER 19 -3.149 -3.319 -11.043 153 H GLY 20 HN GLY 20 -4.988 -7.079 -11.844 154 HA2 GLY 20 2HA GLY 20 -5.453 -8.232 -9.191 155 HA3 GLY 20 1HA GLY 20 -6.709 -8.446 -10.398 156 H ASN 21 HN ASN 21 -4.127 -8.453 -12.272 157 HA ASN 21 HA ASN 21 -4.108 -11.320 -12.465 158 HB2 ASN 21 2HB ASN 21 -2.641 -9.166 -13.991 159 HB3 ASN 21 1HB ASN 21 -2.452 -10.882 -14.330 160 HD21 ASN 21 1HD2 ASN 21 -3.252 -10.679 -16.391 161 HD22 ASN 21 2HD2 ASN 21 -4.931 -10.409 -16.720 162 H THR 22 HN THR 22 -3.120 -12.267 -10.808 163 HA THR 22 HA THR 22 -0.294 -12.340 -10.706 164 HB THR 22 HB THR 22 -0.668 -10.183 -9.512 165 HG1 THR 22 1HG THR 22 1.170 -11.205 -8.885 166 HG21 THR 22 3HG2 THR 22 -2.105 -11.900 -7.488 167 HG22 THR 22 1HG2 THR 22 -2.819 -10.635 -8.486 168 HG23 THR 22 2HG2 THR 22 -1.630 -10.218 -7.252 169 H VAL 23 HN VAL 23 0.471 -13.909 -9.178 170 HA VAL 23 HA VAL 23 0.422 -16.044 -8.467 171 HB VAL 23 HB VAL 23 -0.866 -16.433 -6.373 172 HG11 VAL 23 1HG1 VAL 23 0.362 -14.768 -5.058 173 HG12 VAL 23 2HG1 VAL 23 0.691 -13.858 -6.534 174 HG13 VAL 23 3HG1 VAL 23 1.358 -15.477 -6.331 175 HG21 VAL 23 3HG2 VAL 23 -1.875 -13.621 -6.822 176 HG22 VAL 23 1HG2 VAL 23 -2.027 -14.536 -5.321 177 HG23 VAL 23 2HG2 VAL 23 -2.852 -15.092 -6.777 178 H SER 24 HN SER 24 -0.279 -17.104 -10.298 179 HA SER 24 HA SER 24 -2.989 -17.623 -10.898 180 HG SER 24 HG SER 24 -0.056 -17.398 -12.336 181 HB2 SER 24 2HB SER 24 -0.616 -19.373 -11.595 182 HB3 SER 24 1HB SER 24 -2.158 -19.273 -12.446 183 H HIS 25 HN HIS 25 -0.537 -19.520 -9.177 184 HA HIS 25 HA HIS 25 -2.490 -20.548 -7.359 185 HD1 HIS 25 1HD HIS 25 -2.180 -23.141 -11.217 186 HD2 HIS 25 2HD HIS 25 1.037 -22.657 -8.623 187 HE1 HIS 25 1HE HIS 25 -0.148 -23.894 -12.503 188 HE2 HIS 25 2HE HIS 25 1.801 -23.385 -10.984 189 HB2 HIS 25 2HB HIS 25 -1.981 -22.967 -7.784 190 HB3 HIS 25 1HB HIS 25 -2.892 -22.197 -9.072 191 H SER 26 HN SER 26 -0.098 -18.964 -7.388 192 HA SER 26 HA SER 26 2.126 -20.454 -6.429 193 HG SER 26 HG SER 26 2.756 -17.537 -8.196 194 HB2 SER 26 2HB SER 26 1.667 -17.519 -5.933 195 HB3 SER 26 1HB SER 26 3.184 -18.363 -6.257 196 H ASP 27 HN ASP 27 2.017 -21.525 -4.572 197 HA ASP 27 HA ASP 27 1.695 -22.083 -2.398 198 HB2 ASP 27 2HB ASP 27 2.622 -19.719 -2.010 199 HB3 ASP 27 1HB ASP 27 0.948 -19.226 -1.781 200 H LYS 28 HN LYS 28 -0.005 -22.993 -1.346 201 HA LYS 28 HA LYS 28 -2.588 -22.538 -2.589 202 HB2 LYS 28 2HB LYS 28 -3.293 -24.563 -1.369 203 HB3 LYS 28 1HB LYS 28 -1.870 -24.834 -2.362 204 HG2 LYS 28 2HG LYS 28 -0.460 -24.660 -0.363 205 HG3 LYS 28 1HG LYS 28 -1.907 -24.431 0.621 206 HD2 LYS 28 2HD LYS 28 -2.733 -26.622 -0.079 207 HD3 LYS 28 1HD LYS 28 -1.296 -26.850 -1.077 208 HE2 LYS 28 2HE LYS 28 0.098 -26.688 0.949 209 HE3 LYS 28 1HE LYS 28 -1.365 -26.542 1.921 210 HZ1 LYS 28 3HZ LYS 28 -0.748 -28.860 0.173 211 HZ2 LYS 28 1HZ LYS 28 -2.031 -28.726 1.275 212 HZ3 LYS 28 2HZ LYS 28 -0.432 -28.809 1.837 213 H LYS 29 HN LYS 29 -0.966 -21.386 0.102 214 HA LYS 29 HA LYS 29 -3.482 -20.900 1.549 215 HB2 LYS 29 2HB LYS 29 -0.616 -20.835 2.479 216 HB3 LYS 29 1HB LYS 29 -1.948 -20.216 3.445 217 HG2 LYS 29 2HG LYS 29 -2.962 -22.433 3.471 218 HG3 LYS 29 1HG LYS 29 -1.633 -23.055 2.490 219 HD2 LYS 29 2HD LYS 29 -1.112 -23.645 4.711 220 HD3 LYS 29 1HD LYS 29 -0.086 -22.261 4.340 221 HE2 LYS 29 2HE LYS 29 -2.706 -22.120 5.839 222 HE3 LYS 29 1HE LYS 29 -1.121 -22.162 6.605 223 HZ1 LYS 29 3HZ LYS 29 -2.342 -20.001 4.997 224 HZ2 LYS 29 1HZ LYS 29 -0.659 -20.086 5.198 225 HZ3 LYS 29 2HZ LYS 29 -1.664 -19.918 6.547 226 H SER 30 HN SER 30 -4.168 -19.177 0.233 227 HA SER 30 HA SER 30 -2.608 -16.754 0.160 228 HG SER 30 HG SER 30 -3.258 -17.692 -1.937 229 HB2 SER 30 2HB SER 30 -5.559 -17.122 -0.438 230 HB3 SER 30 1HB SER 30 -4.538 -15.771 -0.937 231 H GLU 31 HN GLU 31 -2.206 -16.690 2.451 232 HA GLU 31 HA GLU 31 -3.919 -17.035 4.523 233 HB2 GLU 31 2HB GLU 31 -1.410 -16.569 4.560 234 HB3 GLU 31 1HB GLU 31 -1.831 -14.863 4.573 235 HG2 GLU 31 2HG GLU 31 -1.396 -15.565 6.811 236 HG3 GLU 31 1HG GLU 31 -3.124 -15.249 6.652 237 H ARG 32 HN ARG 32 -3.066 -13.749 3.428 238 HA ARG 32 HA ARG 32 -5.870 -12.986 3.828 239 HE ARG 32 HE ARG 32 -6.064 -12.043 8.701 240 HB2 ARG 32 2HB ARG 32 -3.436 -11.565 4.922 241 HB3 ARG 32 1HB ARG 32 -4.991 -10.761 4.727 242 HG2 ARG 32 2HG ARG 32 -6.039 -12.343 6.222 243 HG3 ARG 32 1HG ARG 32 -4.536 -13.248 6.357 244 HD2 ARG 32 2HD ARG 32 -3.466 -11.378 7.454 245 HD3 ARG 32 1HD ARG 32 -4.910 -10.386 7.230 246 HH11 ARG 32 1HH1 ARG 32 -2.600 -11.581 8.926 247 HH12 ARG 32 2HH1 ARG 32 -2.490 -12.209 10.543 248 HH21 ARG 32 1HH2 ARG 32 -5.923 -12.890 10.800 249 HH22 ARG 32 2HH2 ARG 32 -4.386 -12.968 11.609 250 H TRP 33 HN TRP 33 -4.377 -13.712 1.517 251 HA TRP 33 HA TRP 33 -4.071 -11.173 0.080 252 HD1 TRP 33 1HD TRP 33 -3.817 -13.235 -3.381 253 HE1 TRP 33 1HE TRP 33 -2.514 -11.778 -5.055 254 HE3 TRP 33 3HE TRP 33 -0.687 -10.842 -0.117 255 HZ2 TRP 33 2HZ TRP 33 -0.437 -9.871 -5.001 256 HZ3 TRP 33 3HZ TRP 33 0.929 -9.216 -1.016 257 HH2 TRP 33 2HH TRP 33 1.050 -8.744 -3.405 258 HB2 TRP 33 2HB TRP 33 -2.179 -12.850 0.078 259 HB3 TRP 33 1HB TRP 33 -3.228 -13.943 -0.814 260 H PHE 34 HN PHE 34 -6.441 -10.980 0.059 261 HA PHE 34 HA PHE 34 -7.487 -12.026 -2.406 262 HD1 PHE 34 1HD PHE 34 -8.777 -14.268 -3.190 263 HD2 PHE 34 2HD PHE 34 -11.158 -12.293 -0.271 264 HE1 PHE 34 1HE PHE 34 -10.792 -14.744 -4.520 265 HE2 PHE 34 2HE PHE 34 -13.180 -12.762 -1.592 266 HZ PHE 34 HZ PHE 34 -12.998 -13.992 -3.720 267 HB2 PHE 34 2HB PHE 34 -8.001 -13.867 -0.811 268 HB3 PHE 34 1HB PHE 34 -8.907 -12.724 0.176 269 H ARG 35 HN ARG 35 -7.801 -9.974 -3.111 270 HA ARG 35 HA ARG 35 -10.106 -8.586 -1.983 271 HE ARG 35 HE ARG 35 -6.309 -8.554 -2.055 272 HB2 ARG 35 2HB ARG 35 -7.505 -7.127 -2.544 273 HB3 ARG 35 1HB ARG 35 -9.014 -6.392 -2.031 274 HG2 ARG 35 2HG ARG 35 -8.443 -6.652 0.087 275 HG3 ARG 35 1HG ARG 35 -8.319 -8.398 -0.142 276 HD2 ARG 35 2HD ARG 35 -6.167 -6.324 -0.483 277 HD3 ARG 35 1HD ARG 35 -6.211 -7.669 0.660 278 HH11 ARG 35 1HH1 ARG 35 -4.132 -7.494 0.477 279 HH12 ARG 35 2HH1 ARG 35 -2.745 -8.249 -0.230 280 HH21 ARG 35 1HH2 ARG 35 -4.504 -9.534 -2.992 281 HH22 ARG 35 2HH2 ARG 35 -2.957 -9.428 -2.203 282 HA PRO 36 HA PRO 36 -10.997 -8.295 -6.289 283 HB2 PRO 36 2HB PRO 36 -12.689 -5.969 -5.758 284 HB3 PRO 36 1HB PRO 36 -13.152 -7.597 -6.257 285 HG2 PRO 36 2HG PRO 36 -13.681 -6.636 -3.784 286 HG3 PRO 36 1HG PRO 36 -13.347 -8.350 -4.096 287 HD2 PRO 36 2HD PRO 36 -11.524 -6.229 -3.009 288 HD3 PRO 36 1HD PRO 36 -11.722 -7.919 -2.493 289 H ASN 37 HN ASN 37 -8.805 -7.533 -6.746 290 HA ASN 37 HA ASN 37 -7.396 -6.208 -7.935 291 HB2 ASN 37 2HB ASN 37 -9.886 -4.583 -8.504 292 HB3 ASN 37 1HB ASN 37 -8.350 -4.420 -9.346 293 HD21 ASN 37 1HD2 ASN 37 -7.703 -6.033 -10.788 294 HD22 ASN 37 2HD2 ASN 37 -8.806 -7.222 -11.391 295 H LEU 38 HN LEU 38 -8.333 -5.526 -5.085 296 HA LEU 38 HA LEU 38 -7.291 -2.767 -4.955 297 HG LEU 38 HG LEU 38 -9.888 -2.559 -5.367 298 HB2 LEU 38 2HB LEU 38 -9.411 -4.193 -3.376 299 HB3 LEU 38 1HB LEU 38 -8.564 -2.819 -2.692 300 HD11 LEU 38 1HD1 LEU 38 -11.592 -3.513 -3.911 301 HD12 LEU 38 2HD1 LEU 38 -11.928 -1.813 -4.234 302 HD13 LEU 38 3HD1 LEU 38 -11.240 -2.299 -2.685 303 HD21 LEU 38 3HD2 LEU 38 -9.290 -0.665 -3.094 304 HD22 LEU 38 1HD2 LEU 38 -10.122 -0.227 -4.584 305 HD23 LEU 38 2HD2 LEU 38 -8.444 -0.759 -4.637 306 H GLN 39 HN GLN 39 -5.877 -2.245 -3.267 307 HA GLN 39 HA GLN 39 -4.808 -4.535 -1.743 308 HB2 GLN 39 2HB GLN 39 -3.386 -2.063 -2.747 309 HB3 GLN 39 1HB GLN 39 -2.684 -3.201 -1.604 310 HG2 GLN 39 2HG GLN 39 -3.587 -3.893 -4.389 311 HG3 GLN 39 1HG GLN 39 -1.924 -3.546 -3.920 312 HE21 GLN 39 1HE2 GLN 39 -4.534 -5.798 -3.770 313 HE22 GLN 39 2HE2 GLN 39 -3.614 -7.130 -3.173 314 H LYS 40 HN LYS 40 -5.999 -4.315 0.119 315 HA LYS 40 HA LYS 40 -6.308 -1.716 1.326 316 HB2 LYS 40 2HB LYS 40 -7.481 -2.916 3.145 317 HB3 LYS 40 1HB LYS 40 -8.156 -3.246 1.559 318 HG2 LYS 40 2HG LYS 40 -7.058 -5.409 1.517 319 HG3 LYS 40 1HG LYS 40 -6.306 -5.070 3.079 320 HD2 LYS 40 2HD LYS 40 -8.548 -4.880 4.087 321 HD3 LYS 40 1HD LYS 40 -9.266 -5.280 2.529 322 HE2 LYS 40 2HE LYS 40 -8.144 -7.456 2.576 323 HE3 LYS 40 1HE LYS 40 -7.433 -7.052 4.140 324 HZ1 LYS 40 3HZ LYS 40 -10.336 -7.298 3.559 325 HZ2 LYS 40 1HZ LYS 40 -9.670 -6.881 5.059 326 HZ3 LYS 40 2HZ LYS 40 -9.398 -8.426 4.408 327 H VAL 41 HN VAL 41 -4.760 -0.786 2.387 328 HA VAL 41 HA VAL 41 -2.904 -2.427 3.973 329 HB VAL 41 HB VAL 41 -1.060 -0.905 3.358 330 HG11 VAL 41 1HG1 VAL 41 -1.322 -2.986 2.127 331 HG12 VAL 41 2HG1 VAL 41 -0.723 -1.709 1.067 332 HG13 VAL 41 3HG1 VAL 41 -2.419 -2.192 0.994 333 HG21 VAL 41 3HG2 VAL 41 -1.302 0.631 1.473 334 HG22 VAL 41 1HG2 VAL 41 -2.377 1.073 2.801 335 HG23 VAL 41 2HG2 VAL 41 -3.024 0.249 1.383 336 H ARG 42 HN ARG 42 -1.645 -1.048 5.535 337 HA ARG 42 HA ARG 42 -3.484 0.515 7.082 338 HE ARG 42 HE ARG 42 -2.487 -2.639 10.740 339 HB2 ARG 42 2HB ARG 42 -0.577 -0.214 7.463 340 HB3 ARG 42 1HB ARG 42 -1.455 0.807 8.587 341 HG2 ARG 42 2HG ARG 42 -2.957 -1.002 9.118 342 HG3 ARG 42 1HG ARG 42 -2.182 -2.031 7.907 343 HD2 ARG 42 2HD ARG 42 -0.150 -2.093 9.121 344 HD3 ARG 42 1HD ARG 42 -0.661 -0.786 10.186 345 HH11 ARG 42 1HH1 ARG 42 0.991 -2.966 10.391 346 HH12 ARG 42 2HH1 ARG 42 1.110 -4.218 11.586 347 HH21 ARG 42 1HH2 ARG 42 -2.308 -4.265 12.321 348 HH22 ARG 42 2HH2 ARG 42 -0.760 -4.978 12.651 349 H VAL 43 HN VAL 43 -3.634 2.659 7.160 350 HA VAL 43 HA VAL 43 -1.296 4.242 6.326 351 HB VAL 43 HB VAL 43 -2.821 6.086 5.687 352 HG11 VAL 43 1HG1 VAL 43 -1.957 4.642 3.952 353 HG12 VAL 43 2HG1 VAL 43 -3.616 5.106 3.568 354 HG13 VAL 43 3HG1 VAL 43 -3.276 3.498 4.207 355 HG21 VAL 43 3HG2 VAL 43 -4.999 4.036 6.090 356 HG22 VAL 43 1HG2 VAL 43 -5.211 5.614 5.329 357 HG23 VAL 43 2HG2 VAL 43 -4.755 5.510 7.029 358 H VAL 44 HN VAL 44 -0.763 5.965 7.671 359 HA VAL 44 HA VAL 44 -2.145 5.885 10.264 360 HB VAL 44 HB VAL 44 0.189 5.168 10.399 361 HG11 VAL 44 1HG1 VAL 44 2.022 6.733 9.997 362 HG12 VAL 44 2HG1 VAL 44 0.870 7.918 9.380 363 HG13 VAL 44 3HG1 VAL 44 1.111 6.394 8.525 364 HG21 VAL 44 3HG2 VAL 44 -0.323 7.841 11.697 365 HG22 VAL 44 1HG2 VAL 44 0.956 6.715 12.162 366 HG23 VAL 44 2HG2 VAL 44 -0.737 6.250 12.343 367 H LEU 45 HN LEU 45 -2.928 7.666 11.168 368 HA LEU 45 HA LEU 45 -2.990 10.086 9.522 369 HG LEU 45 HG LEU 45 -5.201 7.988 9.733 370 HB2 LEU 45 2HB LEU 45 -4.674 9.163 11.850 371 HB3 LEU 45 1HB LEU 45 -4.883 10.694 11.033 372 HD11 LEU 45 1HD1 LEU 45 -6.941 8.384 11.371 373 HD12 LEU 45 2HD1 LEU 45 -7.591 8.497 9.735 374 HD13 LEU 45 3HD1 LEU 45 -7.275 9.965 10.661 375 HD21 LEU 45 3HD2 LEU 45 -4.493 9.717 8.169 376 HD22 LEU 45 1HD2 LEU 45 -5.802 10.764 8.715 377 HD23 LEU 45 2HD2 LEU 45 -6.171 9.255 7.880 378 HA PRO 46 HA PRO 46 -0.261 12.221 12.267 379 HB2 PRO 46 2HB PRO 46 -1.109 14.783 11.846 380 HB3 PRO 46 1HB PRO 46 -0.108 13.886 10.698 381 HG2 PRO 46 2HG PRO 46 -3.070 14.332 10.686 382 HG3 PRO 46 1HG PRO 46 -1.922 14.409 9.337 383 HD2 PRO 46 2HD PRO 46 -3.496 12.263 9.755 384 HD3 PRO 46 1HD PRO 46 -1.851 12.109 9.105 385 H ASP 47 HN ASP 47 -3.666 12.326 12.586 386 HA ASP 47 HA ASP 47 -3.777 13.866 14.996 387 HB2 ASP 47 2HB ASP 47 -5.689 13.660 13.434 388 HB3 ASP 47 1HB ASP 47 -5.804 11.947 13.825 389 H GLY 48 HN GLY 48 -2.895 10.683 14.226 390 HA2 GLY 48 2HA GLY 48 -1.837 9.304 15.879 391 HA3 GLY 48 1HA GLY 48 -2.932 9.974 17.083 392 H THR 49 HN THR 49 -3.419 8.446 13.899 393 HA THR 49 HA THR 49 -4.868 6.280 15.202 394 HB THR 49 HB THR 49 -6.198 7.626 12.883 395 HG1 THR 49 1HG THR 49 -6.191 8.430 15.592 396 HG21 THR 49 3HG2 THR 49 -7.243 5.978 15.187 397 HG22 THR 49 1HG2 THR 49 -6.971 5.401 13.543 398 HG23 THR 49 2HG2 THR 49 -8.212 6.614 13.859 399 H ILE 50 HN ILE 50 -5.169 4.444 13.839 400 HA ILE 50 HA ILE 50 -3.659 4.492 11.316 401 HB ILE 50 HB ILE 50 -3.633 2.234 13.336 402 HG12 ILE 50 2HG1 ILE 50 -1.386 4.075 12.479 403 HG13 ILE 50 1HG1 ILE 50 -2.257 4.195 14.003 404 HG21 ILE 50 1HG2 ILE 50 -1.977 1.203 11.833 405 HG22 ILE 50 2HG2 ILE 50 -2.235 2.505 10.677 406 HG23 ILE 50 3HG2 ILE 50 -3.547 1.397 11.062 407 HD11 ILE 50 3HD1 ILE 50 -0.133 3.112 14.331 408 HD12 ILE 50 1HD1 ILE 50 -0.523 1.906 13.106 409 HD13 ILE 50 2HD1 ILE 50 -1.437 1.960 14.615 410 H LYS 51 HN LYS 51 -4.973 3.996 9.697 411 HA LYS 51 HA LYS 51 -7.282 2.253 10.268 412 HB2 LYS 51 2HB LYS 51 -7.914 4.641 9.932 413 HB3 LYS 51 1HB LYS 51 -7.209 4.574 8.325 414 HG2 LYS 51 2HG LYS 51 -8.848 2.924 7.639 415 HG3 LYS 51 1HG LYS 51 -9.522 2.885 9.267 416 HD2 LYS 51 2HD LYS 51 -10.143 5.247 9.055 417 HD3 LYS 51 1HD LYS 51 -9.472 5.272 7.423 418 HE2 LYS 51 2HE LYS 51 -11.089 3.583 6.728 419 HE3 LYS 51 1HE LYS 51 -11.753 3.535 8.360 420 HZ1 LYS 51 3HZ LYS 51 -11.746 5.932 6.589 421 HZ2 LYS 51 1HZ LYS 51 -12.444 5.827 8.132 422 HZ3 LYS 51 2HZ LYS 51 -13.077 4.918 6.849 423 H ARG 52 HN ARG 52 -7.785 0.709 8.781 424 HA ARG 52 HA ARG 52 -5.775 0.253 6.684 425 HE ARG 52 HE ARG 52 -5.443 -2.438 11.082 426 HB2 ARG 52 2HB ARG 52 -7.858 -1.678 7.719 427 HB3 ARG 52 1HB ARG 52 -6.464 -2.054 6.712 428 HG2 ARG 52 2HG ARG 52 -4.963 -1.554 8.520 429 HG3 ARG 52 1HG ARG 52 -6.309 -1.003 9.522 430 HD2 ARG 52 2HD ARG 52 -7.275 -3.333 9.193 431 HD3 ARG 52 1HD ARG 52 -5.673 -3.789 8.612 432 HH11 ARG 52 1HH1 ARG 52 -6.535 -5.514 9.785 433 HH12 ARG 52 2HH1 ARG 52 -6.167 -6.393 11.235 434 HH21 ARG 52 1HH2 ARG 52 -4.963 -3.599 12.980 435 HH22 ARG 52 2HH2 ARG 52 -5.286 -5.306 13.053 436 H MET 53 HN MET 53 -6.322 0.703 4.660 437 HA MET 53 HA MET 53 -9.181 0.687 3.952 438 HB2 MET 53 2HB MET 53 -7.283 2.978 3.436 439 HB3 MET 53 1HB MET 53 -8.863 2.821 2.679 440 HG2 MET 53 2HG MET 53 -9.849 2.780 4.985 441 HG3 MET 53 1HG MET 53 -8.250 3.201 5.593 442 HE1 MET 53 3HE MET 53 -7.273 5.096 3.143 443 HE2 MET 53 1HE MET 53 -6.963 5.466 4.841 444 HE3 MET 53 2HE MET 53 -7.687 6.683 3.789 445 H ARG 54 HN ARG 54 -9.661 0.574 1.734 446 HA ARG 54 HA ARG 54 -7.847 -1.089 0.253 447 HE ARG 54 HE ARG 54 -12.240 -0.230 0.914 448 HB2 ARG 54 2HB ARG 54 -10.542 0.120 -0.389 449 HB3 ARG 54 1HB ARG 54 -9.672 -0.945 -1.488 450 HG2 ARG 54 2HG ARG 54 -9.909 -2.791 -0.075 451 HG3 ARG 54 1HG ARG 54 -10.318 -1.787 1.316 452 HD2 ARG 54 2HD ARG 54 -12.043 -2.026 -1.139 453 HD3 ARG 54 1HD ARG 54 -12.247 -3.025 0.297 454 HH11 ARG 54 1HH1 ARG 54 -14.231 -2.854 -0.269 455 HH12 ARG 54 2HH1 ARG 54 -15.726 -2.150 0.267 456 HH21 ARG 54 1HH2 ARG 54 -14.206 0.733 1.586 457 HH22 ARG 54 2HH2 ARG 54 -15.716 -0.088 1.297 458 H VAL 55 HN VAL 55 -6.228 -0.349 -0.926 459 HA VAL 55 HA VAL 55 -6.444 2.354 -2.086 460 HB VAL 55 HB VAL 55 -3.884 0.964 -1.272 461 HG11 VAL 55 1HG1 VAL 55 -4.425 3.835 -2.015 462 HG12 VAL 55 2HG1 VAL 55 -3.610 2.636 -3.020 463 HG13 VAL 55 3HG1 VAL 55 -2.870 3.171 -1.511 464 HG21 VAL 55 3HG2 VAL 55 -3.819 2.518 0.643 465 HG22 VAL 55 1HG2 VAL 55 -5.172 1.390 0.729 466 HG23 VAL 55 2HG2 VAL 55 -5.446 3.059 0.232 467 H CYS 56 HN CYS 56 -5.620 2.640 -4.184 468 HA CYS 56 HA CYS 56 -5.523 0.200 -5.764 469 HG CYS 56 HG CYS 56 -4.945 4.277 -7.558 470 HB2 CYS 56 2HB CYS 56 -5.564 1.810 -7.701 471 HB3 CYS 56 1HB CYS 56 -6.968 1.889 -6.643 472 H THR 57 HN THR 57 -3.853 -0.137 -7.351 473 HA THR 57 HA THR 57 -1.273 0.039 -6.296 474 HB THR 57 HB THR 57 -0.783 -0.496 -8.884 475 HG1 THR 57 1HG THR 57 -3.029 -1.863 -9.080 476 HG21 THR 57 3HG2 THR 57 -2.037 -2.377 -6.881 477 HG22 THR 57 1HG2 THR 57 -0.322 -2.009 -7.038 478 HG23 THR 57 2HG2 THR 57 -1.157 -2.876 -8.326 479 H SER 58 HN SER 58 -3.023 2.198 -8.397 480 HA SER 58 HA SER 58 -0.830 3.633 -9.422 481 HG SER 58 HG SER 58 -4.692 3.858 -9.709 482 HB2 SER 58 2HB SER 58 -2.694 5.497 -9.544 483 HB3 SER 58 1HB SER 58 -2.784 4.072 -10.577 484 H CYS 59 HN CYS 59 -2.775 4.052 -6.485 485 HA CYS 59 HA CYS 59 -1.326 6.352 -5.605 486 HG CYS 59 HG CYS 59 -3.722 7.646 -5.345 487 HB2 CYS 59 2HB CYS 59 -3.205 4.464 -4.178 488 HB3 CYS 59 1HB CYS 59 -2.519 5.903 -3.440 489 H LEU 60 HN LEU 60 -1.133 2.887 -5.100 490 HA LEU 60 HA LEU 60 0.683 2.811 -2.978 491 HG LEU 60 HG LEU 60 -1.644 1.001 -3.801 492 HB2 LEU 60 2HB LEU 60 0.317 0.922 -5.297 493 HB3 LEU 60 1HB LEU 60 1.344 0.575 -3.924 494 HD11 LEU 60 1HD1 LEU 60 -1.040 -1.071 -4.929 495 HD12 LEU 60 2HD1 LEU 60 -1.742 -1.392 -3.346 496 HD13 LEU 60 3HD1 LEU 60 0.001 -1.516 -3.576 497 HD21 LEU 60 3HD2 LEU 60 -1.429 0.180 -1.501 498 HD22 LEU 60 1HD2 LEU 60 -0.542 1.686 -1.741 499 HD23 LEU 60 2HD2 LEU 60 0.326 0.152 -1.678 500 H LYS 61 HN LYS 61 1.317 2.766 -6.474 501 HA LYS 61 HA LYS 61 4.142 2.631 -6.135 502 HB2 LYS 61 2HB LYS 61 2.350 3.059 -8.501 503 HB3 LYS 61 1HB LYS 61 4.096 3.219 -8.650 504 HG2 LYS 61 2HG LYS 61 4.405 0.937 -7.906 505 HG3 LYS 61 1HG LYS 61 2.666 0.761 -7.657 506 HD2 LYS 61 2HD LYS 61 2.231 0.951 -9.985 507 HD3 LYS 61 1HD LYS 61 3.890 1.457 -10.315 508 HE2 LYS 61 2HE LYS 61 3.100 -1.246 -9.234 509 HE3 LYS 61 1HE LYS 61 3.432 -0.902 -10.932 510 HZ1 LYS 61 3HZ LYS 61 5.405 -1.784 -10.031 511 HZ2 LYS 61 1HZ LYS 61 5.335 -0.794 -8.656 512 HZ3 LYS 61 2HZ LYS 61 5.679 -0.119 -10.169 513 H SER 62 HN SER 62 1.895 5.299 -6.631 514 HA SER 62 HA SER 62 3.962 7.181 -7.242 515 HG SER 62 HG SER 62 0.334 6.726 -6.854 516 HB2 SER 62 2HB SER 62 2.127 8.885 -6.810 517 HB3 SER 62 1HB SER 62 1.811 7.715 -8.086 518 H GLY 63 HN GLY 63 2.559 5.939 -4.331 519 HA2 GLY 63 2HA GLY 63 3.339 6.132 -2.167 520 HA3 GLY 63 1HA GLY 63 4.609 7.191 -2.765 521 H LYS 64 HN LYS 64 1.094 7.523 -2.985 522 HA LYS 64 HA LYS 64 1.334 10.206 -1.839 523 HB2 LYS 64 2HB LYS 64 -0.068 9.271 -3.995 524 HB3 LYS 64 1HB LYS 64 -1.312 9.247 -2.752 525 HG2 LYS 64 2HG LYS 64 0.362 11.671 -3.395 526 HG3 LYS 64 1HG LYS 64 -1.211 11.341 -4.124 527 HD2 LYS 64 2HD LYS 64 -2.255 11.379 -1.929 528 HD3 LYS 64 1HD LYS 64 -0.685 11.638 -1.169 529 HE2 LYS 64 2HE LYS 64 -1.925 13.718 -1.336 530 HE3 LYS 64 1HE LYS 64 -0.465 13.768 -2.324 531 HZ1 LYS 64 3HZ LYS 64 -1.778 13.373 -4.281 532 HZ2 LYS 64 1HZ LYS 64 -2.409 14.707 -3.447 533 HZ3 LYS 64 2HZ LYS 64 -3.192 13.205 -3.358 534 H VAL 65 HN VAL 65 1.238 7.396 -0.476 535 HA VAL 65 HA VAL 65 -0.828 8.101 1.494 536 HB VAL 65 HB VAL 65 -1.066 5.688 1.992 537 HG11 VAL 65 1HG1 VAL 65 -2.656 6.757 0.509 538 HG12 VAL 65 2HG1 VAL 65 -2.352 5.100 -0.013 539 HG13 VAL 65 3HG1 VAL 65 -1.607 6.449 -0.871 540 HG21 VAL 65 3HG2 VAL 65 1.121 4.938 1.195 541 HG22 VAL 65 1HG2 VAL 65 0.642 5.294 -0.465 542 HG23 VAL 65 2HG2 VAL 65 -0.185 4.022 0.438 543 H LYS 66 HN LYS 66 -0.236 8.157 3.600 544 HA LYS 66 HA LYS 66 2.551 7.698 4.260 545 HB2 LYS 66 2HB LYS 66 1.345 9.684 5.148 546 HB3 LYS 66 1HB LYS 66 0.280 8.608 6.043 547 HG2 LYS 66 2HG LYS 66 2.072 7.842 7.408 548 HG3 LYS 66 1HG LYS 66 3.260 8.687 6.413 549 HD2 LYS 66 2HD LYS 66 1.060 10.191 7.784 550 HD3 LYS 66 1HD LYS 66 2.515 9.726 8.666 551 HE2 LYS 66 2HE LYS 66 2.892 11.930 7.884 552 HE3 LYS 66 1HE LYS 66 3.843 10.870 6.850 553 HZ1 LYS 66 3HZ LYS 66 1.229 12.115 6.183 554 HZ2 LYS 66 1HZ LYS 66 2.053 11.020 5.184 555 HZ3 LYS 66 2HZ LYS 66 2.738 12.529 5.538 556 H LYS 67 HN LYS 67 3.068 5.631 4.432 557 HA LYS 67 HA LYS 67 1.002 3.704 5.154 558 HB2 LYS 67 2HB LYS 67 2.482 3.701 3.020 559 HB3 LYS 67 1HB LYS 67 3.723 3.042 4.072 560 HG2 LYS 67 2HG LYS 67 2.234 1.164 4.618 561 HG3 LYS 67 1HG LYS 67 1.031 1.819 3.502 562 HD2 LYS 67 2HD LYS 67 2.709 1.661 1.683 563 HD3 LYS 67 1HD LYS 67 3.817 0.885 2.815 564 HE2 LYS 67 2HE LYS 67 2.154 -0.911 3.152 565 HE3 LYS 67 1HE LYS 67 1.122 -0.146 1.941 566 HZ1 LYS 67 3HZ LYS 67 3.841 -1.261 1.494 567 HZ2 LYS 67 1HZ LYS 67 2.939 -0.424 0.324 568 HZ3 LYS 67 2HZ LYS 67 2.376 -1.904 0.926 569 H TYR 68 HN TYR 68 2.414 5.255 7.220 570 HA TYR 68 HA TYR 68 3.133 4.919 9.351 571 HD1 TYR 68 2HD TYR 68 1.931 4.438 11.469 572 HD2 TYR 68 1HD TYR 68 3.737 0.710 10.488 573 HE1 TYR 68 2HE TYR 68 2.355 4.021 13.854 574 HE2 TYR 68 1HE TYR 68 4.155 0.284 12.874 575 HH TYR 68 HH TYR 68 4.393 1.499 14.957 576 HB2 TYR 68 2HB TYR 68 1.474 3.025 9.232 577 HB3 TYR 68 1HB TYR 68 2.800 1.957 8.799 578 H VAL 69 HN VAL 69 4.875 4.506 6.816 579 HA VAL 69 HA VAL 69 7.064 4.237 6.303 580 HB VAL 69 HB VAL 69 7.521 4.209 9.292 581 HG11 VAL 69 1HG1 VAL 69 9.409 3.297 8.043 582 HG12 VAL 69 2HG1 VAL 69 9.807 4.870 8.737 583 HG13 VAL 69 3HG1 VAL 69 9.435 4.736 7.017 584 HG21 VAL 69 3HG2 VAL 69 7.665 6.506 7.340 585 HG22 VAL 69 1HG2 VAL 69 8.028 6.577 9.064 586 HG23 VAL 69 2HG2 VAL 69 6.382 6.246 8.521 587 H GLY 70 HN GLY 70 7.161 2.300 5.311 588 HA2 GLY 70 2HA GLY 70 8.628 0.224 6.464 589 HA3 GLY 70 1HA GLY 70 6.931 -0.203 6.600 590 H GLN 71 HN GLN 71 9.656 -0.310 4.652 591 HA GLN 71 HA GLN 71 8.098 -0.742 2.206 592 HB2 GLN 71 2HB GLN 71 11.094 -0.697 2.638 593 HB3 GLN 71 1HB GLN 71 10.297 -0.906 1.086 594 HG2 GLN 71 2HG GLN 71 9.291 1.327 1.325 595 HG3 GLN 71 1HG GLN 71 10.167 1.533 2.842 596 HE21 GLN 71 1HE2 GLN 71 12.409 1.772 2.798 597 HE22 GLN 71 2HE2 GLN 71 13.244 2.228 1.353 598 H VAL 72 HN VAL 72 7.219 -2.707 2.134 599 HA VAL 72 HA VAL 72 8.494 -4.959 3.428 600 HB VAL 72 HB VAL 72 5.911 -4.850 1.859 601 HG11 VAL 72 1HG1 VAL 72 5.397 -6.973 2.987 602 HG12 VAL 72 2HG1 VAL 72 7.009 -6.974 3.703 603 HG13 VAL 72 3HG1 VAL 72 6.821 -7.103 1.954 604 HG21 VAL 72 3HG2 VAL 72 4.814 -4.843 4.055 605 HG22 VAL 72 1HG2 VAL 72 5.821 -3.413 3.818 606 HG23 VAL 72 2HG2 VAL 72 6.393 -4.737 4.833 607 H SER 73 HN SER 73 10.000 -6.083 2.417 608 HA SER 73 HA SER 73 9.436 -7.073 -0.262 609 HG SER 73 HG SER 73 11.103 -7.300 -1.711 610 HB2 SER 73 2HB SER 73 10.917 -5.042 -0.502 611 HB3 SER 73 1HB SER 73 12.138 -5.892 0.443 612 H GLU 74 HN GLU 74 9.873 -9.217 -0.355 613 HA GLU 74 HA GLU 74 11.032 -10.406 2.047 614 HB2 GLU 74 2HB GLU 74 8.824 -11.196 1.140 615 HB3 GLU 74 1HB GLU 74 9.683 -11.808 -0.267 616 HG2 GLU 74 2HG GLU 74 10.958 -13.325 1.145 617 HG3 GLU 74 1HG GLU 74 10.157 -12.686 2.578 618 H VAL 75 HN VAL 75 12.961 -11.356 2.108 619 HA VAL 75 HA VAL 75 14.760 -11.096 -0.089 620 HB VAL 75 HB VAL 75 15.162 -12.702 2.439 621 HG11 VAL 75 1HG1 VAL 75 17.133 -11.436 0.539 622 HG12 VAL 75 2HG1 VAL 75 16.827 -13.163 0.738 623 HG13 VAL 75 3HG1 VAL 75 17.544 -12.235 2.054 624 HG21 VAL 75 3HG2 VAL 75 14.489 -10.456 3.029 625 HG22 VAL 75 1HG2 VAL 75 15.698 -9.782 1.938 626 HG23 VAL 75 2HG2 VAL 75 16.208 -10.680 3.368 627 H GLY 76 HN GLY 76 12.789 -13.664 1.194 628 HA2 GLY 76 2HA GLY 76 14.049 -15.866 -0.025 629 HA3 GLY 76 1HA GLY 76 12.374 -15.806 0.505 630 H SER 77 HN SER 77 13.782 -16.865 -1.948 631 HA SER 77 HA SER 77 11.844 -15.837 -3.855 632 HG SER 77 HG SER 77 13.907 -16.132 -6.405 633 HB2 SER 77 2HB SER 77 13.905 -14.460 -4.173 634 HB3 SER 77 1HB SER 77 14.811 -15.939 -4.485 Start of MODEL 3 1 HA GLN 1 HA GLN 1 -14.399 -3.633 -21.414 2 H1 GLN 1 1HT GLN 1 -14.356 -1.651 -23.607 3 H2 GLN 1 2HT GLN 1 -15.710 -2.399 -22.916 4 H3 GLN 1 3HT GLN 1 -14.616 -3.309 -23.834 5 HB2 GLN 1 2HB GLN 1 -12.083 -2.451 -22.953 6 HB3 GLN 1 1HB GLN 1 -11.899 -3.203 -21.376 7 HG2 GLN 1 2HG GLN 1 -12.916 -4.543 -23.870 8 HG3 GLN 1 1HG GLN 1 -11.317 -4.746 -23.153 9 HE21 GLN 1 1HE2 GLN 1 -11.122 -5.863 -21.191 10 HE22 GLN 1 2HE2 GLN 1 -12.359 -6.959 -20.654 11 H GLY 2 HN GLY 2 -13.986 -2.777 -19.400 12 HA2 GLY 2 2HA GLY 2 -13.220 -1.053 -17.943 13 HA3 GLY 2 1HA GLY 2 -13.465 0.109 -19.239 14 H HIS 3 HN HIS 3 -14.905 -1.631 -16.629 15 HA HIS 3 HA HIS 3 -17.536 -0.491 -17.114 16 HD1 HIS 3 1HD HIS 3 -15.794 -4.007 -16.737 17 HD2 HIS 3 2HD HIS 3 -19.825 -2.985 -16.694 18 HE1 HIS 3 1HE HIS 3 -16.949 -5.741 -18.140 19 HE2 HIS 3 2HE HIS 3 -19.336 -4.964 -18.291 20 HB2 HIS 3 2HB HIS 3 -16.473 -2.265 -14.905 21 HB3 HIS 3 1HB HIS 3 -18.124 -1.654 -14.957 22 H MET 4 HN MET 4 -18.333 1.262 -16.169 23 HA MET 4 HA MET 4 -16.516 3.029 -14.829 24 HB2 MET 4 2HB MET 4 -18.171 3.844 -16.468 25 HB3 MET 4 1HB MET 4 -19.470 3.330 -15.405 26 HG2 MET 4 2HG MET 4 -18.585 4.909 -13.690 27 HG3 MET 4 1HG MET 4 -17.449 5.500 -14.901 28 HE1 MET 4 3HE MET 4 -19.392 5.200 -17.516 29 HE2 MET 4 1HE MET 4 -18.285 6.551 -17.267 30 HE3 MET 4 2HE MET 4 -19.981 6.857 -17.636 31 H ILE 5 HN ILE 5 -19.467 1.295 -13.976 32 HA ILE 5 HA ILE 5 -19.286 2.200 -11.221 33 HB ILE 5 HB ILE 5 -21.332 0.504 -12.657 34 HG12 ILE 5 2HG1 ILE 5 -22.813 2.459 -11.856 35 HG13 ILE 5 1HG1 ILE 5 -21.304 3.310 -11.561 36 HG21 ILE 5 1HG2 ILE 5 -21.297 1.283 -9.749 37 HG22 ILE 5 2HG2 ILE 5 -21.103 -0.345 -10.398 38 HG23 ILE 5 3HG2 ILE 5 -22.639 0.502 -10.588 39 HD11 ILE 5 3HD1 ILE 5 -22.235 2.234 -14.213 40 HD12 ILE 5 1HD1 ILE 5 -20.716 3.079 -13.919 41 HD13 ILE 5 2HD1 ILE 5 -22.248 3.924 -13.707 42 H MET 6 HN MET 6 -18.408 1.084 -9.634 43 HA MET 6 HA MET 6 -18.050 -1.811 -9.876 44 HB2 MET 6 2HB MET 6 -15.941 -0.670 -10.608 45 HB3 MET 6 1HB MET 6 -15.855 0.111 -9.037 46 HG2 MET 6 2HG MET 6 -15.592 -2.047 -7.953 47 HG3 MET 6 1HG MET 6 -15.750 -2.863 -9.505 48 HE1 MET 6 3HE MET 6 -12.504 -1.809 -11.370 49 HE2 MET 6 1HE MET 6 -14.098 -1.064 -11.473 50 HE3 MET 6 2HE MET 6 -13.949 -2.823 -11.406 51 H ALA 7 HN ALA 7 -17.388 -2.705 -7.653 52 HA ALA 7 HA ALA 7 -19.235 -2.152 -5.711 53 HB1 ALA 7 1HB ALA 7 -17.809 -4.147 -5.732 54 HB2 ALA 7 2HB ALA 7 -17.824 -3.372 -4.150 55 HB3 ALA 7 3HB ALA 7 -16.435 -3.169 -5.216 56 H LYS 8 HN LYS 8 -15.826 -1.100 -5.462 57 HA LYS 8 HA LYS 8 -16.650 1.547 -4.724 58 HB2 LYS 8 2HB LYS 8 -16.797 0.270 -2.552 59 HB3 LYS 8 1HB LYS 8 -15.067 -0.034 -2.683 60 HG2 LYS 8 2HG LYS 8 -14.615 2.349 -2.603 61 HG3 LYS 8 1HG LYS 8 -16.344 2.691 -2.542 62 HD2 LYS 8 2HD LYS 8 -16.473 1.446 -0.403 63 HD3 LYS 8 1HD LYS 8 -14.722 1.228 -0.456 64 HE2 LYS 8 2HE LYS 8 -14.442 3.680 -0.462 65 HE3 LYS 8 1HE LYS 8 -16.189 3.866 -0.358 66 HZ1 LYS 8 3HZ LYS 8 -15.222 4.117 1.802 67 HZ2 LYS 8 1HZ LYS 8 -14.413 2.631 1.683 68 HZ3 LYS 8 2HZ LYS 8 -16.103 2.666 1.780 69 H ARG 9 HN ARG 9 -15.122 2.999 -5.266 70 HA ARG 9 HA ARG 9 -12.755 2.147 -6.615 71 HE ARG 9 HE ARG 9 -14.907 2.895 -10.300 72 HB2 ARG 9 2HB ARG 9 -13.713 4.876 -5.741 73 HB3 ARG 9 1HB ARG 9 -12.318 4.596 -6.774 74 HG2 ARG 9 2HG ARG 9 -15.081 3.653 -7.480 75 HG3 ARG 9 1HG ARG 9 -14.463 5.243 -7.927 76 HD2 ARG 9 2HD ARG 9 -12.580 4.146 -9.092 77 HD3 ARG 9 1HD ARG 9 -13.277 2.577 -8.691 78 HH11 ARG 9 1HH1 ARG 9 -12.977 5.804 -9.934 79 HH12 ARG 9 2HH1 ARG 9 -13.598 6.546 -11.380 80 HH21 ARG 9 1HH2 ARG 9 -15.708 3.870 -12.208 81 HH22 ARG 9 2HH2 ARG 9 -15.113 5.434 -12.686 82 H CYS 10 HN CYS 10 -10.645 3.446 -6.001 83 HA CYS 10 HA CYS 10 -9.644 2.556 -3.570 84 HG CYS 10 HG CYS 10 -7.332 3.489 -2.510 85 HB2 CYS 10 2HB CYS 10 -8.185 3.296 -5.380 86 HB3 CYS 10 1HB CYS 10 -8.770 4.945 -5.209 87 H GLU 11 HN GLU 11 -9.767 3.236 -1.542 88 HA GLU 11 HA GLU 11 -11.739 5.225 -0.935 89 HB2 GLU 11 2HB GLU 11 -9.955 3.658 0.938 90 HB3 GLU 11 1HB GLU 11 -11.400 4.559 1.387 91 HG2 GLU 11 2HG GLU 11 -12.743 3.075 -0.030 92 HG3 GLU 11 1HG GLU 11 -11.296 2.158 -0.421 93 H VAL 12 HN VAL 12 -8.710 5.661 -1.861 94 HA VAL 12 HA VAL 12 -8.129 7.805 0.050 95 HB VAL 12 HB VAL 12 -6.330 6.618 -2.073 96 HG11 VAL 12 1HG1 VAL 12 -5.787 8.950 -1.562 97 HG12 VAL 12 2HG1 VAL 12 -4.541 7.857 -0.962 98 HG13 VAL 12 3HG1 VAL 12 -5.709 8.559 0.158 99 HG21 VAL 12 3HG2 VAL 12 -5.136 5.578 -0.205 100 HG22 VAL 12 1HG2 VAL 12 -6.808 5.017 -0.292 101 HG23 VAL 12 2HG2 VAL 12 -6.338 6.211 0.917 102 H CYS 13 HN CYS 13 -7.998 7.259 -3.493 103 HA CYS 13 HA CYS 13 -8.577 10.129 -3.804 104 HG CYS 13 HG CYS 13 -6.116 10.771 -3.192 105 HB2 CYS 13 2HB CYS 13 -6.807 8.400 -5.533 106 HB3 CYS 13 1HB CYS 13 -7.200 10.090 -5.850 107 H GLY 14 HN GLY 14 -9.423 6.919 -4.808 108 HA2 GLY 14 2HA GLY 14 -11.667 6.587 -5.620 109 HA3 GLY 14 1HA GLY 14 -11.548 8.130 -6.448 110 H LYS 15 HN LYS 15 -8.662 6.556 -6.927 111 HA LYS 15 HA LYS 15 -9.298 5.856 -9.623 112 HB2 LYS 15 2HB LYS 15 -6.836 5.478 -7.932 113 HB3 LYS 15 1HB LYS 15 -6.948 4.832 -9.562 114 HG2 LYS 15 2HG LYS 15 -7.391 7.156 -10.364 115 HG3 LYS 15 1HG LYS 15 -7.047 7.719 -8.727 116 HD2 LYS 15 2HD LYS 15 -4.810 6.958 -8.827 117 HD3 LYS 15 1HD LYS 15 -5.116 6.016 -10.286 118 HE2 LYS 15 2HE LYS 15 -3.893 7.972 -10.903 119 HE3 LYS 15 1HE LYS 15 -5.542 8.149 -11.497 120 HZ1 LYS 15 3HZ LYS 15 -4.780 10.195 -10.529 121 HZ2 LYS 15 1HZ LYS 15 -4.400 9.427 -9.066 122 HZ3 LYS 15 2HZ LYS 15 -6.014 9.554 -9.557 123 H ALA 16 HN ALA 16 -8.429 3.601 -10.399 124 HA ALA 16 HA ALA 16 -9.686 1.555 -8.702 125 HB1 ALA 16 1HB ALA 16 -10.030 0.265 -10.746 126 HB2 ALA 16 2HB ALA 16 -9.223 1.521 -11.685 127 HB3 ALA 16 3HB ALA 16 -10.758 1.867 -10.887 128 HA PRO 17 HA PRO 17 -5.661 -0.279 -8.364 129 HB2 PRO 17 2HB PRO 17 -6.315 -2.624 -7.273 130 HB3 PRO 17 1HB PRO 17 -6.544 -1.112 -6.388 131 HG2 PRO 17 2HG PRO 17 -8.556 -2.768 -7.858 132 HG3 PRO 17 1HG PRO 17 -8.707 -1.959 -6.288 133 HD2 PRO 17 2HD PRO 17 -9.674 -0.948 -8.668 134 HD3 PRO 17 1HD PRO 17 -9.276 0.038 -7.245 135 H ARG 18 HN ARG 18 -4.317 -1.749 -9.412 136 HA ARG 18 HA ARG 18 -5.553 -3.193 -11.645 137 HE ARG 18 HE ARG 18 -2.637 -1.018 -13.771 138 HB2 ARG 18 2HB ARG 18 -3.695 -1.574 -12.124 139 HB3 ARG 18 1HB ARG 18 -2.619 -2.616 -11.201 140 HG2 ARG 18 2HG ARG 18 -3.160 -4.467 -12.777 141 HG3 ARG 18 1HG ARG 18 -4.073 -3.306 -13.743 142 HD2 ARG 18 2HD ARG 18 -1.134 -3.155 -13.086 143 HD3 ARG 18 1HD ARG 18 -1.824 -3.647 -14.631 144 HH11 ARG 18 1HH1 ARG 18 -0.256 -2.891 -15.498 145 HH12 ARG 18 2HH1 ARG 18 0.339 -1.547 -16.422 146 HH21 ARG 18 1HH2 ARG 18 -1.863 0.775 -14.957 147 HH22 ARG 18 2HH2 ARG 18 -0.566 0.557 -16.103 148 H SER 19 HN SER 19 -3.081 -3.622 -9.127 149 HA SER 19 HA SER 19 -3.179 -6.503 -9.479 150 HG SER 19 HG SER 19 -0.221 -6.780 -7.572 151 HB2 SER 19 2HB SER 19 -1.005 -5.303 -9.114 152 HB3 SER 19 1HB SER 19 -1.558 -4.879 -7.496 153 H GLY 20 HN GLY 20 -2.926 -7.556 -7.057 154 HA2 GLY 20 2HA GLY 20 -4.769 -6.535 -5.132 155 HA3 GLY 20 1HA GLY 20 -5.485 -7.826 -6.090 156 H ASN 21 HN ASN 21 -5.373 -8.397 -3.546 157 HA ASN 21 HA ASN 21 -2.924 -9.988 -3.174 158 HB2 ASN 21 2HB ASN 21 -3.638 -10.038 -0.722 159 HB3 ASN 21 1HB ASN 21 -3.034 -8.510 -1.343 160 HD21 ASN 21 1HD2 ASN 21 -6.275 -9.660 -2.069 161 HD22 ASN 21 2HD2 ASN 21 -7.094 -8.476 -1.109 162 H THR 22 HN THR 22 -3.140 -12.117 -2.266 163 HA THR 22 HA THR 22 -5.164 -13.669 -3.431 164 HB THR 22 HB THR 22 -3.520 -14.489 -1.030 165 HG1 THR 22 1HG THR 22 -1.958 -15.165 -2.619 166 HG21 THR 22 3HG2 THR 22 -4.659 -16.054 -3.356 167 HG22 THR 22 1HG2 THR 22 -5.273 -16.063 -1.701 168 HG23 THR 22 2HG2 THR 22 -3.675 -16.722 -2.052 169 H VAL 23 HN VAL 23 -7.237 -13.440 -2.915 170 HA VAL 23 HA VAL 23 -8.198 -12.422 -0.481 171 HB VAL 23 HB VAL 23 -9.470 -12.238 -2.559 172 HG11 VAL 23 1HG1 VAL 23 -9.913 -15.209 -2.319 173 HG12 VAL 23 2HG1 VAL 23 -8.942 -14.397 -3.546 174 HG13 VAL 23 3HG1 VAL 23 -10.685 -14.140 -3.489 175 HG21 VAL 23 3HG2 VAL 23 -11.692 -12.813 -1.684 176 HG22 VAL 23 1HG2 VAL 23 -10.681 -12.029 -0.470 177 HG23 VAL 23 2HG2 VAL 23 -10.934 -13.774 -0.414 178 H SER 24 HN SER 24 -8.846 -13.351 1.366 179 HA SER 24 HA SER 24 -8.142 -16.066 1.902 180 HG SER 24 HG SER 24 -6.982 -14.400 3.223 181 HB2 SER 24 2HB SER 24 -9.784 -14.189 3.616 182 HB3 SER 24 1HB SER 24 -8.876 -15.604 4.155 183 H HIS 25 HN HIS 25 -9.352 -17.650 1.026 184 HA HIS 25 HA HIS 25 -12.106 -17.360 0.410 185 HD1 HIS 25 1HD HIS 25 -9.591 -19.171 -2.268 186 HD2 HIS 25 2HD HIS 25 -13.657 -18.797 -1.435 187 HE1 HIS 25 1HE HIS 25 -10.718 -18.827 -4.493 188 HE2 HIS 25 2HE HIS 25 -13.186 -18.746 -3.977 189 HB2 HIS 25 2HB HIS 25 -10.082 -19.462 0.148 190 HB3 HIS 25 1HB HIS 25 -11.702 -20.081 0.470 191 H SER 26 HN SER 26 -13.827 -17.606 1.617 192 HA SER 26 HA SER 26 -13.487 -18.834 4.271 193 HG SER 26 HG SER 26 -13.002 -16.131 3.750 194 HB2 SER 26 2HB SER 26 -15.335 -16.576 3.463 195 HB3 SER 26 1HB SER 26 -15.226 -17.289 5.072 196 H ASP 27 HN ASP 27 -14.764 -20.474 4.769 197 HA ASP 27 HA ASP 27 -16.940 -21.167 2.906 198 HB2 ASP 27 2HB ASP 27 -16.665 -23.444 3.559 199 HB3 ASP 27 1HB ASP 27 -15.043 -22.814 3.295 200 H LYS 28 HN LYS 28 -16.635 -19.473 5.548 201 HA LYS 28 HA LYS 28 -19.028 -20.570 6.847 202 HB2 LYS 28 2HB LYS 28 -18.034 -19.722 9.016 203 HB3 LYS 28 1HB LYS 28 -17.266 -21.135 8.309 204 HG2 LYS 28 2HG LYS 28 -15.543 -19.603 7.330 205 HG3 LYS 28 1HG LYS 28 -16.258 -18.300 8.285 206 HD2 LYS 28 2HD LYS 28 -15.789 -19.500 10.335 207 HD3 LYS 28 1HD LYS 28 -15.181 -20.880 9.422 208 HE2 LYS 28 2HE LYS 28 -13.328 -19.588 10.274 209 HE3 LYS 28 1HE LYS 28 -13.383 -19.451 8.516 210 HZ1 LYS 28 3HZ LYS 28 -14.308 -17.280 8.686 211 HZ2 LYS 28 1HZ LYS 28 -12.967 -17.331 9.720 212 HZ3 LYS 28 2HZ LYS 28 -14.531 -17.427 10.359 213 H LYS 29 HN LYS 29 -20.438 -19.155 7.776 214 HA LYS 29 HA LYS 29 -21.672 -17.306 8.060 215 HB2 LYS 29 2HB LYS 29 -19.438 -16.451 9.007 216 HB3 LYS 29 1HB LYS 29 -19.283 -15.571 7.490 217 HG2 LYS 29 2HG LYS 29 -21.221 -14.297 7.922 218 HG3 LYS 29 1HG LYS 29 -21.689 -15.336 9.269 219 HD2 LYS 29 2HD LYS 29 -19.681 -14.587 10.497 220 HD3 LYS 29 1HD LYS 29 -19.307 -13.485 9.166 221 HE2 LYS 29 2HE LYS 29 -21.375 -12.294 9.515 222 HE3 LYS 29 1HE LYS 29 -21.879 -13.454 10.740 223 HZ1 LYS 29 3HZ LYS 29 -21.038 -11.428 11.730 224 HZ2 LYS 29 1HZ LYS 29 -19.546 -11.627 10.945 225 HZ3 LYS 29 2HZ LYS 29 -20.035 -12.742 12.124 226 H SER 30 HN SER 30 -21.998 -14.959 6.845 227 HA SER 30 HA SER 30 -23.239 -15.818 4.473 228 HG SER 30 HG SER 30 -23.165 -13.025 6.943 229 HB2 SER 30 2HB SER 30 -23.692 -13.274 4.262 230 HB3 SER 30 1HB SER 30 -24.374 -14.146 5.636 231 H GLU 31 HN GLU 31 -23.045 -14.924 2.367 232 HA GLU 31 HA GLU 31 -20.266 -14.789 1.530 233 HB2 GLU 31 2HB GLU 31 -22.786 -14.911 -0.137 234 HB3 GLU 31 1HB GLU 31 -21.143 -15.133 -0.719 235 HG2 GLU 31 2HG GLU 31 -20.925 -17.206 0.337 236 HG3 GLU 31 1HG GLU 31 -22.324 -16.921 1.372 237 H ARG 32 HN ARG 32 -19.931 -12.612 2.388 238 HA ARG 32 HA ARG 32 -21.323 -10.432 1.115 239 HE ARG 32 HE ARG 32 -19.463 -5.962 2.618 240 HB2 ARG 32 2HB ARG 32 -20.418 -10.281 3.447 241 HB3 ARG 32 1HB ARG 32 -18.793 -10.326 2.777 242 HG2 ARG 32 2HG ARG 32 -19.135 -8.248 1.638 243 HG3 ARG 32 1HG ARG 32 -20.839 -8.227 2.091 244 HD2 ARG 32 2HD ARG 32 -20.154 -8.111 4.472 245 HD3 ARG 32 1HD ARG 32 -18.471 -8.007 3.950 246 HH11 ARG 32 1HH1 ARG 32 -20.073 -6.907 5.947 247 HH12 ARG 32 2HH1 ARG 32 -20.477 -5.297 6.451 248 HH21 ARG 32 1HH2 ARG 32 -19.996 -3.875 3.285 249 HH22 ARG 32 2HH2 ARG 32 -20.440 -3.571 4.934 250 H TRP 33 HN TRP 33 -20.449 -8.977 -0.376 251 HA TRP 33 HA TRP 33 -19.312 -10.018 -2.604 252 HD1 TRP 33 1HD TRP 33 -20.670 -7.963 -4.971 253 HE1 TRP 33 1HE TRP 33 -23.229 -7.667 -4.881 254 HE3 TRP 33 3HE TRP 33 -21.245 -7.480 0.085 255 HZ2 TRP 33 2HZ TRP 33 -25.222 -7.283 -2.919 256 HZ3 TRP 33 3HZ TRP 33 -23.511 -7.149 0.990 257 HH2 TRP 33 2HH TRP 33 -25.458 -7.055 -0.483 258 HB2 TRP 33 2HB TRP 33 -19.175 -7.169 -1.616 259 HB3 TRP 33 1HB TRP 33 -18.740 -7.661 -3.249 260 H PHE 34 HN PHE 34 -17.379 -10.598 -3.296 261 HA PHE 34 HA PHE 34 -15.179 -10.550 -1.432 262 HD1 PHE 34 2HD PHE 34 -14.609 -13.260 -0.932 263 HD2 PHE 34 1HD PHE 34 -17.357 -12.956 -4.172 264 HE1 PHE 34 2HE PHE 34 -15.876 -15.171 -0.037 265 HE2 PHE 34 1HE PHE 34 -18.624 -14.866 -3.281 266 HZ PHE 34 HZ PHE 34 -17.885 -15.977 -1.213 267 HB2 PHE 34 2HB PHE 34 -15.347 -11.731 -4.213 268 HB3 PHE 34 1HB PHE 34 -14.067 -12.028 -3.041 269 H ARG 35 HN ARG 35 -13.250 -9.505 -1.665 270 HA ARG 35 HA ARG 35 -12.873 -7.863 -4.054 271 HE ARG 35 HE ARG 35 -13.166 -6.768 1.805 272 HB2 ARG 35 2HB ARG 35 -11.915 -6.026 -2.599 273 HB3 ARG 35 1HB ARG 35 -13.659 -6.240 -2.501 274 HG2 ARG 35 2HG ARG 35 -11.844 -7.524 -0.492 275 HG3 ARG 35 1HG ARG 35 -12.329 -5.836 -0.338 276 HD2 ARG 35 2HD ARG 35 -14.678 -6.509 -0.344 277 HD3 ARG 35 1HD ARG 35 -14.198 -8.195 -0.524 278 HH11 ARG 35 1HH1 ARG 35 -15.623 -8.913 0.515 279 HH12 ARG 35 2HH1 ARG 35 -15.950 -9.670 2.047 280 HH21 ARG 35 1HH2 ARG 35 -13.635 -7.709 3.829 281 HH22 ARG 35 2HH2 ARG 35 -14.848 -8.945 3.943 282 HA PRO 36 HA PRO 36 -9.010 -10.225 -3.351 283 HB2 PRO 36 2HB PRO 36 -8.974 -10.343 -6.268 284 HB3 PRO 36 1HB PRO 36 -8.980 -11.670 -5.103 285 HG2 PRO 36 2HG PRO 36 -11.097 -11.107 -6.697 286 HG3 PRO 36 1HG PRO 36 -11.276 -11.806 -5.077 287 HD2 PRO 36 2HD PRO 36 -11.627 -8.967 -5.970 288 HD3 PRO 36 1HD PRO 36 -12.606 -9.920 -4.835 289 H ASN 37 HN ASN 37 -9.880 -7.773 -5.733 290 HA ASN 37 HA ASN 37 -7.185 -6.722 -5.841 291 HB2 ASN 37 2HB ASN 37 -9.777 -5.726 -7.051 292 HB3 ASN 37 1HB ASN 37 -8.210 -4.964 -7.301 293 HD21 ASN 37 1HD2 ASN 37 -6.654 -6.031 -8.567 294 HD22 ASN 37 2HD2 ASN 37 -7.083 -7.328 -9.627 295 H LEU 38 HN LEU 38 -7.572 -4.007 -5.816 296 HA LEU 38 HA LEU 38 -7.601 -2.223 -4.417 297 HG LEU 38 HG LEU 38 -10.229 -2.425 -5.221 298 HB2 LEU 38 2HB LEU 38 -9.787 -3.873 -3.203 299 HB3 LEU 38 1HB LEU 38 -9.228 -2.432 -2.379 300 HD11 LEU 38 1HD1 LEU 38 -11.728 -1.773 -2.685 301 HD12 LEU 38 2HD1 LEU 38 -12.025 -3.158 -3.736 302 HD13 LEU 38 3HD1 LEU 38 -12.321 -1.521 -4.326 303 HD21 LEU 38 3HD2 LEU 38 -10.432 -0.025 -4.861 304 HD22 LEU 38 1HD2 LEU 38 -8.771 -0.564 -4.612 305 HD23 LEU 38 2HD2 LEU 38 -9.804 -0.210 -3.224 306 H GLN 39 HN GLN 39 -5.757 -1.968 -3.447 307 HA GLN 39 HA GLN 39 -4.591 -4.080 -1.875 308 HB2 GLN 39 2HB GLN 39 -3.410 -1.338 -2.164 309 HB3 GLN 39 1HB GLN 39 -2.591 -2.888 -2.041 310 HG2 GLN 39 2HG GLN 39 -4.279 -2.272 -4.429 311 HG3 GLN 39 1HG GLN 39 -2.652 -1.616 -4.298 312 HE21 GLN 39 1HE2 GLN 39 -3.449 -4.760 -2.998 313 HE22 GLN 39 2HE2 GLN 39 -2.571 -5.668 -4.172 314 H LYS 40 HN LYS 40 -5.750 -4.249 -0.022 315 HA LYS 40 HA LYS 40 -6.386 -1.957 1.583 316 HB2 LYS 40 2HB LYS 40 -7.109 -3.747 3.259 317 HB3 LYS 40 1HB LYS 40 -7.957 -3.719 1.718 318 HG2 LYS 40 2HG LYS 40 -6.693 -5.596 0.923 319 HG3 LYS 40 1HG LYS 40 -5.679 -5.577 2.366 320 HD2 LYS 40 2HD LYS 40 -7.585 -6.143 3.752 321 HD3 LYS 40 1HD LYS 40 -8.656 -6.071 2.349 322 HE2 LYS 40 2HE LYS 40 -7.991 -8.382 3.026 323 HE3 LYS 40 1HE LYS 40 -7.606 -7.968 1.357 324 HZ1 LYS 40 3HZ LYS 40 -5.804 -9.153 2.571 325 HZ2 LYS 40 1HZ LYS 40 -5.651 -7.804 3.588 326 HZ3 LYS 40 2HZ LYS 40 -5.332 -7.656 1.930 327 H VAL 41 HN VAL 41 -4.868 -0.925 2.630 328 HA VAL 41 HA VAL 41 -2.883 -2.480 4.142 329 HB VAL 41 HB VAL 41 -1.183 -0.751 3.676 330 HG11 VAL 41 1HG1 VAL 41 -0.736 -1.366 1.330 331 HG12 VAL 41 2HG1 VAL 41 -2.357 -2.057 1.225 332 HG13 VAL 41 3HG1 VAL 41 -1.167 -2.755 2.328 333 HG21 VAL 41 3HG2 VAL 41 -1.531 0.859 1.866 334 HG22 VAL 41 1HG2 VAL 41 -2.658 1.129 3.197 335 HG23 VAL 41 2HG2 VAL 41 -3.209 0.334 1.721 336 H ARG 42 HN ARG 42 -1.956 -1.290 5.960 337 HA ARG 42 HA ARG 42 -3.941 0.477 7.162 338 HE ARG 42 HE ARG 42 -2.784 -1.856 10.449 339 HB2 ARG 42 2HB ARG 42 -2.365 0.153 9.210 340 HB3 ARG 42 1HB ARG 42 -3.439 -1.148 8.721 341 HG2 ARG 42 2HG ARG 42 -1.707 -2.422 7.849 342 HG3 ARG 42 1HG ARG 42 -0.615 -1.040 7.736 343 HD2 ARG 42 2HD ARG 42 -0.224 -2.751 9.614 344 HD3 ARG 42 1HD ARG 42 -0.188 -1.038 10.024 345 HH11 ARG 42 1HH1 ARG 42 0.356 -2.856 11.624 346 HH12 ARG 42 2HH1 ARG 42 -0.202 -3.175 13.239 347 HH21 ARG 42 1HH2 ARG 42 -3.544 -2.290 12.554 348 HH22 ARG 42 2HH2 ARG 42 -2.430 -2.835 13.779 349 H VAL 43 HN VAL 43 -3.654 2.580 7.338 350 HA VAL 43 HA VAL 43 -0.930 3.656 7.018 351 HB VAL 43 HB VAL 43 -1.879 5.624 5.898 352 HG11 VAL 43 1HG1 VAL 43 -2.420 4.585 3.755 353 HG12 VAL 43 2HG1 VAL 43 -2.685 3.042 4.564 354 HG13 VAL 43 3HG1 VAL 43 -1.075 3.756 4.536 355 HG21 VAL 43 3HG2 VAL 43 -4.110 5.575 6.898 356 HG22 VAL 43 1HG2 VAL 43 -4.492 4.115 5.988 357 HG23 VAL 43 2HG2 VAL 43 -4.208 5.635 5.135 358 H VAL 44 HN VAL 44 -0.537 5.683 8.128 359 HA VAL 44 HA VAL 44 -2.320 6.009 10.442 360 HB VAL 44 HB VAL 44 -0.095 5.322 11.122 361 HG11 VAL 44 1HG1 VAL 44 0.914 7.817 9.770 362 HG12 VAL 44 2HG1 VAL 44 1.193 6.158 9.241 363 HG13 VAL 44 3HG1 VAL 44 1.873 6.722 10.768 364 HG21 VAL 44 3HG2 VAL 44 0.422 7.144 12.697 365 HG22 VAL 44 1HG2 VAL 44 -1.303 6.774 12.626 366 HG23 VAL 44 2HG2 VAL 44 -0.673 8.201 11.803 367 H LEU 45 HN LEU 45 -3.461 7.761 10.573 368 HA LEU 45 HA LEU 45 -3.167 9.858 8.624 369 HG LEU 45 HG LEU 45 -5.481 7.844 9.176 370 HB2 LEU 45 2HB LEU 45 -5.072 9.510 10.935 371 HB3 LEU 45 1HB LEU 45 -5.170 10.794 9.754 372 HD11 LEU 45 1HD1 LEU 45 -7.526 10.060 9.178 373 HD12 LEU 45 2HD1 LEU 45 -7.372 8.797 10.404 374 HD13 LEU 45 3HD1 LEU 45 -7.809 8.370 8.747 375 HD21 LEU 45 3HD2 LEU 45 -6.127 8.546 6.935 376 HD22 LEU 45 1HD2 LEU 45 -4.477 9.046 7.307 377 HD23 LEU 45 2HD2 LEU 45 -5.786 10.226 7.355 378 HA PRO 46 HA PRO 46 -0.586 12.534 10.918 379 HB2 PRO 46 2HB PRO 46 -1.492 14.958 10.010 380 HB3 PRO 46 1HB PRO 46 -0.425 13.890 9.089 381 HG2 PRO 46 2HG PRO 46 -3.392 14.234 8.892 382 HG3 PRO 46 1HG PRO 46 -2.195 14.067 7.594 383 HD2 PRO 46 2HD PRO 46 -3.738 12.012 8.374 384 HD3 PRO 46 1HD PRO 46 -2.058 11.772 7.847 385 H ASP 47 HN ASP 47 -4.035 12.835 11.143 386 HA ASP 47 HA ASP 47 -4.038 14.766 13.263 387 HB2 ASP 47 2HB ASP 47 -5.957 14.269 11.643 388 HB3 ASP 47 1HB ASP 47 -6.270 12.841 12.624 389 H GLY 48 HN GLY 48 -3.638 11.363 13.017 390 HA2 GLY 48 2HA GLY 48 -2.672 10.247 14.982 391 HA3 GLY 48 1HA GLY 48 -3.847 11.126 15.955 392 H THR 49 HN THR 49 -3.764 8.883 13.178 393 HA THR 49 HA THR 49 -5.645 7.148 14.539 394 HB THR 49 HB THR 49 -6.388 8.034 11.767 395 HG1 THR 49 1HG THR 49 -6.735 9.389 14.155 396 HG21 THR 49 3HG2 THR 49 -7.358 5.943 12.552 397 HG22 THR 49 1HG2 THR 49 -8.602 7.186 12.426 398 HG23 THR 49 2HG2 THR 49 -7.952 6.748 14.004 399 H ILE 50 HN ILE 50 -5.762 5.068 13.561 400 HA ILE 50 HA ILE 50 -3.858 4.546 11.384 401 HB ILE 50 HB ILE 50 -4.184 2.791 13.831 402 HG12 ILE 50 2HG1 ILE 50 -1.819 4.469 12.966 403 HG13 ILE 50 1HG1 ILE 50 -2.907 4.865 14.290 404 HG21 ILE 50 1HG2 ILE 50 -3.746 1.484 11.845 405 HG22 ILE 50 2HG2 ILE 50 -2.308 1.512 12.866 406 HG23 ILE 50 3HG2 ILE 50 -2.387 2.526 11.425 407 HD11 ILE 50 3HD1 ILE 50 -2.183 2.878 15.495 408 HD12 ILE 50 1HD1 ILE 50 -0.814 3.912 15.085 409 HD13 ILE 50 2HD1 ILE 50 -1.119 2.446 14.154 410 H LYS 51 HN LYS 51 -5.009 3.731 9.725 411 HA LYS 51 HA LYS 51 -7.322 2.031 10.357 412 HB2 LYS 51 2HB LYS 51 -7.966 4.455 9.964 413 HB3 LYS 51 1HB LYS 51 -7.423 4.242 8.307 414 HG2 LYS 51 2HG LYS 51 -9.069 2.431 8.031 415 HG3 LYS 51 1HG LYS 51 -9.652 2.743 9.667 416 HD2 LYS 51 2HD LYS 51 -10.059 5.133 8.902 417 HD3 LYS 51 1HD LYS 51 -9.785 4.548 7.260 418 HE2 LYS 51 2HE LYS 51 -12.141 4.541 7.653 419 HE3 LYS 51 1HE LYS 51 -11.592 2.864 7.646 420 HZ1 LYS 51 3HZ LYS 51 -12.163 4.517 10.045 421 HZ2 LYS 51 1HZ LYS 51 -11.561 2.932 10.088 422 HZ3 LYS 51 2HZ LYS 51 -13.109 3.239 9.463 423 H ARG 52 HN ARG 52 -7.868 0.521 8.793 424 HA ARG 52 HA ARG 52 -5.861 0.087 6.696 425 HE ARG 52 HE ARG 52 -6.845 -3.052 11.004 426 HB2 ARG 52 2HB ARG 52 -8.079 -1.815 7.449 427 HB3 ARG 52 1HB ARG 52 -6.581 -2.174 6.603 428 HG2 ARG 52 2HG ARG 52 -5.329 -1.720 8.662 429 HG3 ARG 52 1HG ARG 52 -6.850 -1.421 9.504 430 HD2 ARG 52 2HD ARG 52 -7.460 -3.795 8.559 431 HD3 ARG 52 1HD ARG 52 -5.708 -3.974 8.480 432 HH11 ARG 52 1HH1 ARG 52 -5.499 -5.747 9.183 433 HH12 ARG 52 2HH1 ARG 52 -5.210 -6.705 10.608 434 HH21 ARG 52 1HH2 ARG 52 -6.456 -4.301 12.838 435 HH22 ARG 52 2HH2 ARG 52 -5.753 -5.881 12.690 436 H MET 53 HN MET 53 -6.345 0.697 4.689 437 HA MET 53 HA MET 53 -9.169 0.770 3.888 438 HB2 MET 53 2HB MET 53 -7.173 3.012 3.555 439 HB3 MET 53 1HB MET 53 -8.657 2.909 2.620 440 HG2 MET 53 2HG MET 53 -9.929 2.928 4.755 441 HG3 MET 53 1HG MET 53 -8.403 3.187 5.599 442 HE1 MET 53 3HE MET 53 -6.885 5.111 3.535 443 HE2 MET 53 1HE MET 53 -6.893 5.359 5.283 444 HE3 MET 53 2HE MET 53 -7.314 6.683 4.198 445 H ARG 54 HN ARG 54 -9.521 0.780 1.612 446 HA ARG 54 HA ARG 54 -7.607 -0.946 0.270 447 HE ARG 54 HE ARG 54 -11.866 -0.371 1.244 448 HB2 ARG 54 2HB ARG 54 -10.393 -0.034 -0.423 449 HB3 ARG 54 1HB ARG 54 -9.437 -1.097 -1.449 450 HG2 ARG 54 2HG ARG 54 -9.586 -2.868 0.008 451 HG3 ARG 54 1HG ARG 54 -9.856 -1.836 1.410 452 HD2 ARG 54 2HD ARG 54 -11.865 -2.165 -0.807 453 HD3 ARG 54 1HD ARG 54 -11.840 -3.182 0.635 454 HH11 ARG 54 1HH1 ARG 54 -13.895 -3.122 0.445 455 HH12 ARG 54 2HH1 ARG 54 -15.310 -2.459 1.203 456 HH21 ARG 54 1HH2 ARG 54 -13.733 0.490 2.242 457 HH22 ARG 54 2HH2 ARG 54 -15.220 -0.420 2.215 458 H VAL 55 HN VAL 55 -5.967 0.076 -0.581 459 HA VAL 55 HA VAL 55 -6.375 2.619 -1.991 460 HB VAL 55 HB VAL 55 -3.742 1.282 -1.348 461 HG11 VAL 55 1HG1 VAL 55 -3.626 2.984 -3.090 462 HG12 VAL 55 2HG1 VAL 55 -2.808 3.518 -1.622 463 HG13 VAL 55 3HG1 VAL 55 -4.408 4.146 -2.014 464 HG21 VAL 55 3HG2 VAL 55 -5.203 3.357 0.281 465 HG22 VAL 55 1HG2 VAL 55 -3.576 2.750 0.592 466 HG23 VAL 55 2HG2 VAL 55 -4.962 1.666 0.731 467 H CYS 56 HN CYS 56 -5.506 2.896 -4.137 468 HA CYS 56 HA CYS 56 -5.579 0.432 -5.684 469 HG CYS 56 HG CYS 56 -5.284 4.491 -5.454 470 HB2 CYS 56 2HB CYS 56 -5.606 1.895 -7.656 471 HB3 CYS 56 1HB CYS 56 -6.869 2.336 -6.515 472 H THR 57 HN THR 57 -3.918 -0.223 -7.066 473 HA THR 57 HA THR 57 -1.314 -0.091 -6.092 474 HB THR 57 HB THR 57 -1.895 -0.614 -8.998 475 HG1 THR 57 1HG THR 57 -2.298 -2.581 -6.981 476 HG21 THR 57 3HG2 THR 57 0.418 -0.797 -8.220 477 HG22 THR 57 1HG2 THR 57 -0.220 -2.373 -8.689 478 HG23 THR 57 2HG2 THR 57 -0.086 -1.950 -6.984 479 H SER 58 HN SER 58 -2.986 1.980 -8.368 480 HA SER 58 HA SER 58 -0.783 3.240 -9.554 481 HG SER 58 HG SER 58 -3.683 3.477 -11.288 482 HB2 SER 58 2HB SER 58 -3.453 4.531 -8.987 483 HB3 SER 58 1HB SER 58 -2.357 4.854 -10.333 484 H CYS 59 HN CYS 59 -2.734 4.181 -6.717 485 HA CYS 59 HA CYS 59 -1.195 6.435 -6.015 486 HG CYS 59 HG CYS 59 -3.568 7.251 -6.364 487 HB2 CYS 59 2HB CYS 59 -3.016 4.646 -4.407 488 HB3 CYS 59 1HB CYS 59 -2.254 6.077 -3.736 489 H LEU 60 HN LEU 60 -0.938 3.020 -5.266 490 HA LEU 60 HA LEU 60 1.053 3.148 -3.299 491 HG LEU 60 HG LEU 60 -1.352 1.143 -3.728 492 HB2 LEU 60 2HB LEU 60 0.402 1.047 -5.350 493 HB3 LEU 60 1HB LEU 60 1.618 0.811 -4.119 494 HD11 LEU 60 1HD1 LEU 60 -0.640 -1.081 -4.345 495 HD12 LEU 60 2HD1 LEU 60 -1.116 -1.054 -2.643 496 HD13 LEU 60 3HD1 LEU 60 0.595 -1.067 -3.084 497 HD21 LEU 60 3HD2 LEU 60 -0.922 0.987 -1.322 498 HD22 LEU 60 1HD2 LEU 60 -0.205 2.443 -2.011 499 HD23 LEU 60 2HD2 LEU 60 0.814 1.057 -1.625 500 H LYS 61 HN LYS 61 1.352 2.741 -6.819 501 HA LYS 61 HA LYS 61 4.180 2.780 -6.869 502 HB2 LYS 61 2HB LYS 61 2.120 3.357 -8.999 503 HB3 LYS 61 1HB LYS 61 3.847 3.324 -9.318 504 HG2 LYS 61 2HG LYS 61 2.295 1.003 -8.195 505 HG3 LYS 61 1HG LYS 61 2.651 1.229 -9.907 506 HD2 LYS 61 2HD LYS 61 4.699 0.962 -7.704 507 HD3 LYS 61 1HD LYS 61 4.247 -0.304 -8.844 508 HE2 LYS 61 2HE LYS 61 5.008 1.139 -10.698 509 HE3 LYS 61 1HE LYS 61 5.521 2.345 -9.519 510 HZ1 LYS 61 3HZ LYS 61 7.005 0.598 -8.567 511 HZ2 LYS 61 1HZ LYS 61 7.412 1.077 -10.144 512 HZ3 LYS 61 2HZ LYS 61 6.609 -0.391 -9.887 513 H SER 62 HN SER 62 1.772 5.299 -6.868 514 HA SER 62 HA SER 62 3.557 7.376 -7.717 515 HG SER 62 HG SER 62 2.288 9.411 -8.030 516 HB2 SER 62 2HB SER 62 1.095 7.448 -8.092 517 HB3 SER 62 1HB SER 62 0.861 7.608 -6.352 518 H GLY 63 HN GLY 63 2.564 6.015 -4.642 519 HA2 GLY 63 2HA GLY 63 3.484 6.323 -2.542 520 HA3 GLY 63 1HA GLY 63 4.657 7.419 -3.261 521 H LYS 64 HN LYS 64 1.202 7.764 -3.600 522 HA LYS 64 HA LYS 64 1.361 10.485 -2.685 523 HB2 LYS 64 2HB LYS 64 -0.032 9.792 -4.612 524 HB3 LYS 64 1HB LYS 64 -1.050 8.861 -3.523 525 HG2 LYS 64 2HG LYS 64 -1.666 10.935 -2.356 526 HG3 LYS 64 1HG LYS 64 -0.670 11.850 -3.491 527 HD2 LYS 64 2HD LYS 64 -2.049 11.059 -5.343 528 HD3 LYS 64 1HD LYS 64 -3.044 10.136 -4.216 529 HE2 LYS 64 2HE LYS 64 -4.157 12.200 -4.781 530 HE3 LYS 64 1HE LYS 64 -3.663 12.236 -3.089 531 HZ1 LYS 64 3HZ LYS 64 -2.182 13.881 -3.461 532 HZ2 LYS 64 1HZ LYS 64 -3.229 14.233 -4.745 533 HZ3 LYS 64 2HZ LYS 64 -1.800 13.363 -5.030 534 H VAL 65 HN VAL 65 0.419 7.440 -1.351 535 HA VAL 65 HA VAL 65 -1.170 8.530 0.775 536 HB VAL 65 HB VAL 65 -1.104 6.244 1.724 537 HG11 VAL 65 1HG1 VAL 65 -1.752 6.350 -1.217 538 HG12 VAL 65 2HG1 VAL 65 -2.815 6.845 0.099 539 HG13 VAL 65 3HG1 VAL 65 -2.352 5.153 -0.072 540 HG21 VAL 65 3HG2 VAL 65 0.623 5.603 -0.665 541 HG22 VAL 65 1HG2 VAL 65 -0.053 4.430 0.468 542 HG23 VAL 65 2HG2 VAL 65 1.143 5.602 1.020 543 H LYS 66 HN LYS 66 -0.599 8.809 2.908 544 HA LYS 66 HA LYS 66 2.186 9.373 3.366 545 HB2 LYS 66 2HB LYS 66 -0.187 9.662 5.217 546 HB3 LYS 66 1HB LYS 66 1.429 10.283 5.524 547 HG2 LYS 66 2HG LYS 66 -0.419 11.128 3.302 548 HG3 LYS 66 1HG LYS 66 -0.007 12.059 4.745 549 HD2 LYS 66 2HD LYS 66 2.301 12.206 4.041 550 HD3 LYS 66 1HD LYS 66 1.979 11.162 2.654 551 HE2 LYS 66 2HE LYS 66 2.071 13.449 1.917 552 HE3 LYS 66 1HE LYS 66 0.413 12.867 1.789 553 HZ1 LYS 66 3HZ LYS 66 -0.143 14.024 3.810 554 HZ2 LYS 66 1HZ LYS 66 0.566 15.112 2.721 555 HZ3 LYS 66 2HZ LYS 66 1.465 14.513 4.025 556 H LYS 67 HN LYS 67 0.329 6.696 3.590 557 HA LYS 67 HA LYS 67 0.459 4.668 4.552 558 HB2 LYS 67 2HB LYS 67 2.747 3.679 4.584 559 HB3 LYS 67 1HB LYS 67 2.292 4.434 3.071 560 HG2 LYS 67 2HG LYS 67 3.805 6.121 4.963 561 HG3 LYS 67 1HG LYS 67 4.673 4.770 4.232 562 HD2 LYS 67 2HD LYS 67 4.167 5.566 2.020 563 HD3 LYS 67 1HD LYS 67 3.108 6.823 2.664 564 HE2 LYS 67 2HE LYS 67 5.024 7.888 3.734 565 HE3 LYS 67 1HE LYS 67 6.082 6.616 3.128 566 HZ1 LYS 67 3HZ LYS 67 5.571 7.307 0.873 567 HZ2 LYS 67 1HZ LYS 67 6.212 8.599 1.764 568 HZ3 LYS 67 2HZ LYS 67 4.547 8.530 1.447 569 H TYR 68 HN TYR 68 2.316 3.427 6.141 570 HA TYR 68 HA TYR 68 2.276 4.807 8.719 571 HD1 TYR 68 2HD TYR 68 1.385 4.344 11.098 572 HD2 TYR 68 1HD TYR 68 1.104 0.421 9.488 573 HE1 TYR 68 2HE TYR 68 1.637 3.402 13.360 574 HE2 TYR 68 1HE TYR 68 1.359 -0.536 11.733 575 HH TYR 68 HH TYR 68 2.247 0.055 13.886 576 HB2 TYR 68 2HB TYR 68 0.183 3.625 8.728 577 HB3 TYR 68 1HB TYR 68 0.920 2.180 8.061 578 H VAL 69 HN VAL 69 4.146 3.717 6.553 579 HA VAL 69 HA VAL 69 6.147 2.668 6.333 580 HB VAL 69 HB VAL 69 6.294 2.544 9.357 581 HG11 VAL 69 1HG1 VAL 69 8.434 2.784 7.237 582 HG12 VAL 69 2HG1 VAL 69 8.054 1.336 8.169 583 HG13 VAL 69 3HG1 VAL 69 8.708 2.759 8.979 584 HG21 VAL 69 3HG2 VAL 69 7.348 4.772 9.272 585 HG22 VAL 69 1HG2 VAL 69 5.664 4.807 8.751 586 HG23 VAL 69 2HG2 VAL 69 6.958 4.870 7.554 587 H GLY 70 HN GLY 70 3.533 1.226 6.805 588 HA2 GLY 70 2HA GLY 70 4.023 -1.248 8.064 589 HA3 GLY 70 1HA GLY 70 2.779 -0.934 6.858 590 H GLN 71 HN GLN 71 4.787 -3.152 7.340 591 HA GLN 71 HA GLN 71 6.425 -2.980 4.921 592 HB2 GLN 71 2HB GLN 71 6.416 -5.042 7.135 593 HB3 GLN 71 1HB GLN 71 7.562 -4.968 5.803 594 HG2 GLN 71 2HG GLN 71 8.420 -2.863 6.601 595 HG3 GLN 71 1HG GLN 71 7.203 -2.818 7.875 596 HE21 GLN 71 1HE2 GLN 71 8.774 -2.709 9.489 597 HE22 GLN 71 2HE2 GLN 71 9.724 -4.091 9.928 598 H VAL 72 HN VAL 72 5.303 -3.522 3.158 599 HA VAL 72 HA VAL 72 3.922 -6.124 3.168 600 HB VAL 72 HB VAL 72 2.339 -5.240 1.476 601 HG11 VAL 72 1HG1 VAL 72 0.957 -3.931 3.020 602 HG12 VAL 72 2HG1 VAL 72 2.345 -3.734 4.090 603 HG13 VAL 72 3HG1 VAL 72 1.669 -5.337 3.810 604 HG21 VAL 72 3HG2 VAL 72 3.674 -3.402 0.603 605 HG22 VAL 72 1HG2 VAL 72 3.558 -2.562 2.150 606 HG23 VAL 72 2HG2 VAL 72 2.110 -2.815 1.171 607 H SER 73 HN SER 73 3.959 -7.242 1.110 608 HA SER 73 HA SER 73 6.124 -6.336 -0.658 609 HG SER 73 HG SER 73 7.535 -7.270 1.010 610 HB2 SER 73 2HB SER 73 5.604 -9.192 0.205 611 HB3 SER 73 1HB SER 73 6.902 -8.643 -0.856 612 H GLU 74 HN GLU 74 5.682 -6.367 -2.778 613 HA GLU 74 HA GLU 74 3.017 -7.099 -3.632 614 HB2 GLU 74 2HB GLU 74 4.564 -5.072 -4.322 615 HB3 GLU 74 1HB GLU 74 5.190 -6.215 -5.496 616 HG2 GLU 74 2HG GLU 74 2.255 -5.689 -5.278 617 HG3 GLU 74 1HG GLU 74 3.313 -4.615 -6.190 618 H VAL 75 HN VAL 75 2.626 -8.576 -5.442 619 HA VAL 75 HA VAL 75 4.368 -10.912 -5.069 620 HB VAL 75 HB VAL 75 2.028 -11.134 -4.316 621 HG11 VAL 75 1HG1 VAL 75 1.351 -10.768 -7.229 622 HG12 VAL 75 2HG1 VAL 75 0.928 -9.685 -5.905 623 HG13 VAL 75 3HG1 VAL 75 0.220 -11.299 -5.985 624 HG21 VAL 75 3HG2 VAL 75 2.729 -12.895 -6.660 625 HG22 VAL 75 1HG2 VAL 75 1.560 -13.275 -5.396 626 HG23 VAL 75 2HG2 VAL 75 3.271 -13.114 -4.995 627 H GLY 76 HN GLY 76 3.202 -8.728 -7.490 628 HA2 GLY 76 2HA GLY 76 3.741 -10.564 -9.681 629 HA3 GLY 76 1HA GLY 76 3.176 -8.906 -9.820 630 H SER 77 HN SER 77 4.572 -7.784 -10.994 631 HA SER 77 HA SER 77 7.435 -8.375 -10.702 632 HG SER 77 HG SER 77 5.592 -6.269 -13.244 633 HB2 SER 77 2HB SER 77 7.557 -7.189 -12.984 634 HB3 SER 77 1HB SER 77 6.823 -8.794 -12.942 Start of MODEL 4 1 HA GLN 1 HA GLN 1 -19.252 0.511 -15.210 2 H1 GLN 1 1HT GLN 1 -16.881 0.366 -15.379 3 H2 GLN 1 2HT GLN 1 -16.899 -1.261 -14.903 4 H3 GLN 1 3HT GLN 1 -17.364 -0.049 -13.809 5 HB2 GLN 1 2HB GLN 1 -18.118 -1.742 -16.848 6 HB3 GLN 1 1HB GLN 1 -19.832 -1.367 -16.910 7 HG2 GLN 1 2HG GLN 1 -18.497 -0.359 -18.741 8 HG3 GLN 1 1HG GLN 1 -19.396 0.813 -17.780 9 HE21 GLN 1 1HE2 GLN 1 -18.292 2.311 -16.559 10 HE22 GLN 1 2HE2 GLN 1 -16.585 2.546 -16.685 11 H GLY 2 HN GLY 2 -18.088 -2.772 -14.469 12 HA2 GLY 2 2HA GLY 2 -20.606 -3.469 -13.204 13 HA3 GLY 2 1HA GLY 2 -19.164 -4.475 -13.304 14 H HIS 3 HN HIS 3 -20.825 -3.972 -10.969 15 HA HIS 3 HA HIS 3 -20.710 -3.352 -8.772 16 HD1 HIS 3 1HD HIS 3 -19.200 -5.504 -6.730 17 HD2 HIS 3 2HD HIS 3 -17.906 -5.796 -10.674 18 HE1 HIS 3 1HE HIS 3 -18.979 -7.966 -7.194 19 HE2 HIS 3 2HE HIS 3 -18.154 -8.126 -9.572 20 HB2 HIS 3 2HB HIS 3 -17.724 -3.297 -9.313 21 HB3 HIS 3 1HB HIS 3 -18.464 -3.275 -7.719 22 H MET 4 HN MET 4 -21.143 -1.402 -10.735 23 HA MET 4 HA MET 4 -19.532 0.840 -10.784 24 HB2 MET 4 2HB MET 4 -21.393 0.357 -12.337 25 HB3 MET 4 1HB MET 4 -22.540 0.711 -11.054 26 HG2 MET 4 2HG MET 4 -22.383 2.582 -12.531 27 HG3 MET 4 1HG MET 4 -21.692 3.014 -10.968 28 HE1 MET 4 3HE MET 4 -19.588 5.028 -13.630 29 HE2 MET 4 1HE MET 4 -20.647 5.152 -12.226 30 HE3 MET 4 2HE MET 4 -21.291 4.584 -13.769 31 H ILE 5 HN ILE 5 -22.338 0.209 -8.695 32 HA ILE 5 HA ILE 5 -21.670 2.636 -7.168 33 HB ILE 5 HB ILE 5 -24.208 1.019 -6.907 34 HG12 ILE 5 2HG1 ILE 5 -23.945 1.722 -9.263 35 HG13 ILE 5 1HG1 ILE 5 -25.282 2.550 -8.472 36 HG21 ILE 5 1HG2 ILE 5 -23.788 2.584 -5.102 37 HG22 ILE 5 2HG2 ILE 5 -25.134 3.150 -6.095 38 HG23 ILE 5 3HG2 ILE 5 -23.542 3.888 -6.266 39 HD11 ILE 5 3HD1 ILE 5 -22.556 3.692 -9.045 40 HD12 ILE 5 1HD1 ILE 5 -23.841 4.524 -8.169 41 HD13 ILE 5 2HD1 ILE 5 -24.068 4.085 -9.860 42 H MET 6 HN MET 6 -20.504 -0.222 -7.072 43 HA MET 6 HA MET 6 -21.008 -0.778 -4.228 44 HB2 MET 6 2HB MET 6 -21.168 -2.632 -5.923 45 HB3 MET 6 1HB MET 6 -19.442 -2.455 -6.202 46 HG2 MET 6 2HG MET 6 -19.021 -2.998 -3.849 47 HG3 MET 6 1HG MET 6 -20.752 -3.204 -3.597 48 HE1 MET 6 3HE MET 6 -20.318 -5.639 -2.591 49 HE2 MET 6 1HE MET 6 -18.587 -5.390 -2.829 50 HE3 MET 6 2HE MET 6 -19.358 -6.867 -3.412 51 H ALA 7 HN ALA 7 -19.155 1.172 -5.907 52 HA ALA 7 HA ALA 7 -17.262 2.340 -5.539 53 HB1 ALA 7 1HB ALA 7 -18.167 2.565 -3.277 54 HB2 ALA 7 2HB ALA 7 -16.403 2.512 -3.280 55 HB3 ALA 7 3HB ALA 7 -17.327 1.088 -2.800 56 H LYS 8 HN LYS 8 -16.405 0.799 -7.160 57 HA LYS 8 HA LYS 8 -14.287 -0.920 -6.093 58 HB2 LYS 8 2HB LYS 8 -15.730 -1.830 -7.892 59 HB3 LYS 8 1HB LYS 8 -15.236 -0.517 -8.948 60 HG2 LYS 8 2HG LYS 8 -12.986 -1.344 -9.021 61 HG3 LYS 8 1HG LYS 8 -13.351 -2.565 -7.799 62 HD2 LYS 8 2HD LYS 8 -14.869 -3.687 -9.301 63 HD3 LYS 8 1HD LYS 8 -14.680 -2.408 -10.502 64 HE2 LYS 8 2HE LYS 8 -12.437 -4.170 -9.525 65 HE3 LYS 8 1HE LYS 8 -13.377 -4.481 -10.985 66 HZ1 LYS 8 3HZ LYS 8 -11.339 -3.352 -11.546 67 HZ2 LYS 8 1HZ LYS 8 -11.687 -2.097 -10.465 68 HZ3 LYS 8 2HZ LYS 8 -12.649 -2.319 -11.840 69 H ARG 9 HN ARG 9 -13.285 1.059 -5.256 70 HA ARG 9 HA ARG 9 -11.483 2.311 -7.151 71 HE ARG 9 HE ARG 9 -15.239 5.183 -7.150 72 HB2 ARG 9 2HB ARG 9 -12.170 4.591 -6.333 73 HB3 ARG 9 1HB ARG 9 -13.356 3.795 -7.357 74 HG2 ARG 9 2HG ARG 9 -14.753 3.302 -5.529 75 HG3 ARG 9 1HG ARG 9 -13.488 3.668 -4.359 76 HD2 ARG 9 2HD ARG 9 -15.179 5.432 -4.458 77 HD3 ARG 9 1HD ARG 9 -13.591 6.017 -4.945 78 HH11 ARG 9 1HH1 ARG 9 -14.514 7.820 -4.951 79 HH12 ARG 9 2HH1 ARG 9 -14.954 9.057 -6.090 80 HH21 ARG 9 1HH2 ARG 9 -15.841 6.830 -8.646 81 HH22 ARG 9 2HH2 ARG 9 -15.723 8.501 -8.164 82 H CYS 10 HN CYS 10 -9.967 3.803 -6.000 83 HA CYS 10 HA CYS 10 -9.007 2.767 -3.527 84 HG CYS 10 HG CYS 10 -5.839 5.400 -3.665 85 HB2 CYS 10 2HB CYS 10 -7.508 3.853 -5.129 86 HB3 CYS 10 1HB CYS 10 -8.402 5.363 -4.973 87 H GLU 11 HN GLU 11 -9.592 3.299 -1.493 88 HA GLU 11 HA GLU 11 -11.899 4.959 -1.138 89 HB2 GLU 11 2HB GLU 11 -10.141 3.680 0.968 90 HB3 GLU 11 1HB GLU 11 -11.754 4.334 1.219 91 HG2 GLU 11 2HG GLU 11 -12.613 2.649 -0.402 92 HG3 GLU 11 1HG GLU 11 -11.001 1.947 -0.444 93 H VAL 12 HN VAL 12 -8.577 5.549 -1.183 94 HA VAL 12 HA VAL 12 -8.572 7.753 0.666 95 HB VAL 12 HB VAL 12 -6.508 6.943 -1.392 96 HG11 VAL 12 1HG1 VAL 12 -4.951 8.290 -0.055 97 HG12 VAL 12 2HG1 VAL 12 -6.289 8.809 0.972 98 HG13 VAL 12 3HG1 VAL 12 -6.249 9.272 -0.732 99 HG21 VAL 12 3HG2 VAL 12 -6.892 5.183 0.241 100 HG22 VAL 12 1HG2 VAL 12 -6.680 6.335 1.558 101 HG23 VAL 12 2HG2 VAL 12 -5.320 5.940 0.507 102 H CYS 13 HN CYS 13 -8.152 7.513 -2.881 103 HA CYS 13 HA CYS 13 -8.661 10.396 -3.046 104 HG CYS 13 HG CYS 13 -8.335 11.780 -5.244 105 HB2 CYS 13 2HB CYS 13 -6.547 9.532 -4.017 106 HB3 CYS 13 1HB CYS 13 -7.484 8.559 -5.144 107 H GLY 14 HN GLY 14 -9.833 7.296 -4.227 108 HA2 GLY 14 2HA GLY 14 -12.112 7.000 -4.862 109 HA3 GLY 14 1HA GLY 14 -12.161 8.686 -5.350 110 H LYS 15 HN LYS 15 -9.316 7.250 -6.376 111 HA LYS 15 HA LYS 15 -10.277 7.225 -9.112 112 HB2 LYS 15 2HB LYS 15 -7.476 6.743 -8.073 113 HB3 LYS 15 1HB LYS 15 -7.938 7.048 -9.743 114 HG2 LYS 15 2HG LYS 15 -8.755 9.279 -9.070 115 HG3 LYS 15 1HG LYS 15 -8.168 8.968 -7.437 116 HD2 LYS 15 2HD LYS 15 -6.505 10.268 -8.527 117 HD3 LYS 15 1HD LYS 15 -5.884 8.618 -8.443 118 HE2 LYS 15 2HE LYS 15 -6.391 8.230 -10.739 119 HE3 LYS 15 1HE LYS 15 -7.305 9.733 -10.854 120 HZ1 LYS 15 3HZ LYS 15 -4.374 9.484 -10.439 121 HZ2 LYS 15 1HZ LYS 15 -5.229 10.946 -10.440 122 HZ3 LYS 15 2HZ LYS 15 -5.149 10.006 -11.849 123 H ALA 16 HN ALA 16 -10.017 5.451 -10.529 124 HA ALA 16 HA ALA 16 -10.784 2.983 -9.320 125 HB1 ALA 16 1HB ALA 16 -10.127 3.558 -12.205 126 HB2 ALA 16 2HB ALA 16 -11.713 3.758 -11.454 127 HB3 ALA 16 3HB ALA 16 -10.993 2.152 -11.584 128 HA PRO 17 HA PRO 17 -6.764 1.079 -9.316 129 HB2 PRO 17 2HB PRO 17 -7.485 -1.246 -8.240 130 HB3 PRO 17 1HB PRO 17 -7.630 0.257 -7.324 131 HG2 PRO 17 2HG PRO 17 -9.742 -1.373 -8.637 132 HG3 PRO 17 1HG PRO 17 -9.828 -0.395 -7.162 133 HD2 PRO 17 2HD PRO 17 -10.673 0.351 -9.769 134 HD3 PRO 17 1HD PRO 17 -10.577 1.391 -8.333 135 H ARG 18 HN ARG 18 -5.549 -0.110 -10.695 136 HA ARG 18 HA ARG 18 -6.924 -2.087 -12.399 137 HE ARG 18 HE ARG 18 -5.488 -2.159 -15.984 138 HB2 ARG 18 2HB ARG 18 -4.808 -0.092 -13.069 139 HB3 ARG 18 1HB ARG 18 -4.800 -1.638 -13.904 140 HG2 ARG 18 2HG ARG 18 -7.238 -1.152 -14.468 141 HG3 ARG 18 1HG ARG 18 -6.897 0.500 -13.944 142 HD2 ARG 18 2HD ARG 18 -6.622 0.190 -16.384 143 HD3 ARG 18 1HD ARG 18 -5.140 0.707 -15.579 144 HH11 ARG 18 1HH1 ARG 18 -4.079 0.815 -17.172 145 HH12 ARG 18 2HH1 ARG 18 -2.763 0.022 -17.986 146 HH21 ARG 18 1HH2 ARG 18 -3.787 -3.218 -17.068 147 HH22 ARG 18 2HH2 ARG 18 -2.636 -2.282 -17.979 148 H SER 19 HN SER 19 -4.817 -1.681 -9.908 149 HA SER 19 HA SER 19 -3.309 -2.988 -8.833 150 HG SER 19 HG SER 19 -3.422 -6.540 -9.155 151 HB2 SER 19 2HB SER 19 -5.071 -4.747 -9.288 152 HB3 SER 19 1HB SER 19 -4.155 -5.205 -10.723 153 H GLY 20 HN GLY 20 -1.723 -5.119 -9.972 154 HA2 GLY 20 2HA GLY 20 -0.403 -4.147 -12.334 155 HA3 GLY 20 1HA GLY 20 0.530 -3.871 -10.866 156 H ASN 21 HN ASN 21 2.173 -5.349 -11.434 157 HA ASN 21 HA ASN 21 1.406 -8.128 -11.781 158 HB2 ASN 21 2HB ASN 21 3.800 -8.594 -12.035 159 HB3 ASN 21 1HB ASN 21 3.294 -7.297 -13.108 160 HD21 ASN 21 1HD2 ASN 21 5.918 -8.055 -11.970 161 HD22 ASN 21 2HD2 ASN 21 6.520 -6.625 -11.197 162 H THR 22 HN THR 22 1.221 -9.535 -10.194 163 HA THR 22 HA THR 22 1.637 -8.619 -7.497 164 HB THR 22 HB THR 22 0.783 -11.399 -8.264 165 HG1 THR 22 1HG THR 22 -0.540 -10.016 -9.458 166 HG21 THR 22 3HG2 THR 22 -0.532 -11.220 -6.191 167 HG22 THR 22 1HG2 THR 22 0.090 -9.589 -5.943 168 HG23 THR 22 2HG2 THR 22 1.189 -10.968 -5.894 169 H VAL 23 HN VAL 23 3.852 -8.475 -7.221 170 HA VAL 23 HA VAL 23 5.564 -10.752 -7.648 171 HB VAL 23 HB VAL 23 6.133 -8.226 -6.080 172 HG11 VAL 23 1HG1 VAL 23 8.485 -8.794 -6.446 173 HG12 VAL 23 2HG1 VAL 23 7.998 -10.282 -7.258 174 HG13 VAL 23 3HG1 VAL 23 7.650 -10.059 -5.544 175 HG21 VAL 23 3HG2 VAL 23 6.769 -8.868 -8.959 176 HG22 VAL 23 1HG2 VAL 23 7.232 -7.402 -8.094 177 HG23 VAL 23 2HG2 VAL 23 5.529 -7.740 -8.410 178 H SER 24 HN SER 24 5.691 -12.425 -6.329 179 HA SER 24 HA SER 24 5.518 -13.774 -4.514 180 HG SER 24 HG SER 24 7.958 -12.361 -2.697 181 HB2 SER 24 2HB SER 24 5.750 -11.196 -2.936 182 HB3 SER 24 1HB SER 24 5.916 -12.822 -2.273 183 H HIS 25 HN HIS 25 4.128 -13.746 -2.195 184 HA HIS 25 HA HIS 25 1.621 -12.418 -2.322 185 HD1 HIS 25 1HD HIS 25 -0.357 -12.903 -4.958 186 HD2 HIS 25 2HD HIS 25 -1.210 -14.948 -1.440 187 HE1 HIS 25 1HE HIS 25 -2.820 -12.584 -4.572 188 HE2 HIS 25 2HE HIS 25 -3.350 -14.021 -2.575 189 HB2 HIS 25 2HB HIS 25 1.567 -14.326 -4.152 190 HB3 HIS 25 1HB HIS 25 1.296 -15.368 -2.761 191 H SER 26 HN SER 26 0.254 -12.992 -0.517 192 HA SER 26 HA SER 26 1.524 -13.713 1.848 193 HG SER 26 HG SER 26 -1.397 -11.760 1.993 194 HB2 SER 26 2HB SER 26 -1.422 -14.129 1.348 195 HB3 SER 26 1HB SER 26 -0.624 -13.605 2.833 196 H ASP 27 HN ASP 27 2.561 -15.624 2.014 197 HA ASP 27 HA ASP 27 1.419 -18.069 0.976 198 HB2 ASP 27 2HB ASP 27 3.466 -19.131 1.765 199 HB3 ASP 27 1HB ASP 27 3.865 -17.660 0.886 200 H LYS 28 HN LYS 28 1.840 -16.443 4.012 201 HA LYS 28 HA LYS 28 -0.084 -18.296 5.210 202 HB2 LYS 28 2HB LYS 28 2.541 -17.381 6.334 203 HB3 LYS 28 1HB LYS 28 1.200 -17.697 7.426 204 HG2 LYS 28 2HG LYS 28 2.416 -19.660 5.490 205 HG3 LYS 28 1HG LYS 28 2.622 -19.646 7.245 206 HD2 LYS 28 2HD LYS 28 0.146 -19.911 7.459 207 HD3 LYS 28 1HD LYS 28 0.067 -20.116 5.709 208 HE2 LYS 28 2HE LYS 28 1.523 -22.074 5.877 209 HE3 LYS 28 1HE LYS 28 1.604 -21.865 7.627 210 HZ1 LYS 28 3HZ LYS 28 -0.761 -22.600 5.989 211 HZ2 LYS 28 1HZ LYS 28 -0.885 -22.095 7.606 212 HZ3 LYS 28 2HZ LYS 28 -0.023 -23.501 7.223 213 H LYS 29 HN LYS 29 -0.514 -17.074 7.579 214 HA LYS 29 HA LYS 29 -1.574 -15.374 8.630 215 HB2 LYS 29 2HB LYS 29 0.282 -13.934 7.635 216 HB3 LYS 29 1HB LYS 29 -0.853 -13.521 6.358 217 HG2 LYS 29 2HG LYS 29 -0.858 -11.789 8.011 218 HG3 LYS 29 1HG LYS 29 -2.400 -12.647 8.074 219 HD2 LYS 29 2HD LYS 29 -1.659 -13.910 10.007 220 HD3 LYS 29 1HD LYS 29 -0.058 -13.172 9.906 221 HE2 LYS 29 2HE LYS 29 -1.074 -10.969 10.321 222 HE3 LYS 29 1HE LYS 29 -2.650 -11.744 10.486 223 HZ1 LYS 29 3HZ LYS 29 -1.608 -11.317 12.631 224 HZ2 LYS 29 1HZ LYS 29 -0.287 -12.285 12.202 225 HZ3 LYS 29 2HZ LYS 29 -1.826 -12.977 12.378 226 H SER 30 HN SER 30 -3.580 -16.155 8.506 227 HA SER 30 HA SER 30 -5.088 -16.149 6.049 228 HG SER 30 HG SER 30 -4.189 -18.063 8.394 229 HB2 SER 30 2HB SER 30 -6.061 -16.866 8.818 230 HB3 SER 30 1HB SER 30 -6.719 -17.402 7.271 231 H GLU 31 HN GLU 31 -4.433 -13.515 6.890 232 HA GLU 31 HA GLU 31 -7.127 -12.471 7.411 233 HB2 GLU 31 2HB GLU 31 -5.768 -12.290 9.477 234 HB3 GLU 31 1HB GLU 31 -4.575 -11.349 8.588 235 HG2 GLU 31 2HG GLU 31 -6.263 -9.624 8.168 236 HG3 GLU 31 1HG GLU 31 -7.437 -10.564 9.086 237 H ARG 32 HN ARG 32 -7.645 -11.719 5.470 238 HA ARG 32 HA ARG 32 -7.719 -10.392 3.642 239 HE ARG 32 HE ARG 32 -9.849 -9.273 6.905 240 HB2 ARG 32 2HB ARG 32 -5.528 -8.760 4.936 241 HB3 ARG 32 1HB ARG 32 -6.655 -8.232 3.692 242 HG2 ARG 32 2HG ARG 32 -7.369 -9.003 6.514 243 HG3 ARG 32 1HG ARG 32 -7.275 -7.359 5.878 244 HD2 ARG 32 2HD ARG 32 -9.165 -7.646 4.539 245 HD3 ARG 32 1HD ARG 32 -9.075 -9.405 4.625 246 HH11 ARG 32 1HH1 ARG 32 -10.177 -6.347 5.005 247 HH12 ARG 32 2HH1 ARG 32 -11.419 -5.669 6.015 248 HH21 ARG 32 1HH2 ARG 32 -11.479 -8.401 8.222 249 HH22 ARG 32 2HH2 ARG 32 -12.136 -6.830 7.876 250 H TRP 33 HN TRP 33 -6.973 -12.029 2.299 251 HA TRP 33 HA TRP 33 -4.167 -12.407 1.847 252 HD1 TRP 33 1HD TRP 33 -7.789 -14.265 2.576 253 HE1 TRP 33 1HE TRP 33 -7.331 -16.230 4.187 254 HE3 TRP 33 3HE TRP 33 -3.007 -15.367 1.151 255 HZ2 TRP 33 2HZ TRP 33 -5.209 -17.990 4.774 256 HZ3 TRP 33 3HZ TRP 33 -1.832 -17.206 2.289 257 HH2 TRP 33 2HH TRP 33 -2.913 -18.489 4.063 258 HB2 TRP 33 2HB TRP 33 -6.554 -13.477 0.331 259 HB3 TRP 33 1HB TRP 33 -4.887 -13.995 0.102 260 H PHE 34 HN PHE 34 -6.845 -11.396 -0.265 261 HA PHE 34 HA PHE 34 -5.519 -9.158 -1.340 262 HD1 PHE 34 2HD PHE 34 -3.697 -8.380 -2.971 263 HD2 PHE 34 1HD PHE 34 -6.189 -10.957 -5.262 264 HE1 PHE 34 2HE PHE 34 -3.462 -6.880 -4.905 265 HE2 PHE 34 1HE PHE 34 -5.964 -9.460 -7.200 266 HZ PHE 34 HZ PHE 34 -4.597 -7.419 -7.023 267 HB2 PHE 34 2HB PHE 34 -4.115 -10.893 -2.423 268 HB3 PHE 34 1HB PHE 34 -5.559 -11.600 -3.138 269 H ARG 35 HN ARG 35 -6.887 -7.969 -2.694 270 HA ARG 35 HA ARG 35 -9.513 -9.172 -3.246 271 HE ARG 35 HE ARG 35 -10.770 -8.231 1.432 272 HB2 ARG 35 2HB ARG 35 -8.944 -6.413 -2.141 273 HB3 ARG 35 1HB ARG 35 -10.503 -6.896 -2.802 274 HG2 ARG 35 2HG ARG 35 -10.628 -8.689 -1.110 275 HG3 ARG 35 1HG ARG 35 -9.116 -8.100 -0.417 276 HD2 ARG 35 2HD ARG 35 -10.168 -5.937 0.026 277 HD3 ARG 35 1HD ARG 35 -11.677 -6.532 -0.666 278 HH11 ARG 35 1HH1 ARG 35 -12.409 -5.201 0.791 279 HH12 ARG 35 2HH1 ARG 35 -13.195 -5.144 2.342 280 HH21 ARG 35 1HH2 ARG 35 -11.878 -8.208 3.441 281 HH22 ARG 35 2HH2 ARG 35 -12.932 -6.877 3.823 282 HA PRO 36 HA PRO 36 -9.115 -8.178 -7.448 283 HB2 PRO 36 2HB PRO 36 -11.499 -6.789 -7.912 284 HB3 PRO 36 1HB PRO 36 -11.268 -8.537 -8.007 285 HG2 PRO 36 2HG PRO 36 -12.371 -6.889 -5.780 286 HG3 PRO 36 1HG PRO 36 -12.845 -8.509 -6.325 287 HD2 PRO 36 2HD PRO 36 -11.386 -8.167 -4.113 288 HD3 PRO 36 1HD PRO 36 -11.087 -9.535 -5.207 289 H ASN 37 HN ASN 37 -7.428 -6.751 -7.468 290 HA ASN 37 HA ASN 37 -6.402 -4.923 -8.315 291 HB2 ASN 37 2HB ASN 37 -9.177 -3.762 -8.647 292 HB3 ASN 37 1HB ASN 37 -7.697 -3.103 -9.336 293 HD21 ASN 37 1HD2 ASN 37 -6.639 -4.283 -10.986 294 HD22 ASN 37 2HD2 ASN 37 -7.497 -5.433 -11.950 295 H LEU 38 HN LEU 38 -8.160 -4.909 -5.504 296 HA LEU 38 HA LEU 38 -7.165 -2.239 -4.771 297 HG LEU 38 HG LEU 38 -9.703 -1.934 -5.860 298 HB2 LEU 38 2HB LEU 38 -9.695 -3.654 -4.028 299 HB3 LEU 38 1HB LEU 38 -9.022 -2.432 -2.964 300 HD11 LEU 38 1HD1 LEU 38 -11.670 -0.757 -5.017 301 HD12 LEU 38 2HD1 LEU 38 -11.281 -1.270 -3.374 302 HD13 LEU 38 3HD1 LEU 38 -11.723 -2.468 -4.593 303 HD21 LEU 38 3HD2 LEU 38 -9.016 -0.086 -3.574 304 HD22 LEU 38 1HD2 LEU 38 -9.514 0.421 -5.189 305 HD23 LEU 38 2HD2 LEU 38 -7.998 -0.453 -4.967 306 H GLN 39 HN GLN 39 -5.650 -2.186 -3.320 307 HA GLN 39 HA GLN 39 -5.340 -4.475 -1.511 308 HB2 GLN 39 2HB GLN 39 -3.411 -2.494 -2.647 309 HB3 GLN 39 1HB GLN 39 -3.049 -3.244 -1.102 310 HG2 GLN 39 2HG GLN 39 -3.765 -4.924 -3.468 311 HG3 GLN 39 1HG GLN 39 -2.130 -4.297 -3.268 312 HE21 GLN 39 1HE2 GLN 39 -4.047 -5.103 -0.486 313 HE22 GLN 39 2HE2 GLN 39 -3.179 -6.520 -0.043 314 H LYS 40 HN LYS 40 -6.436 -4.116 0.304 315 HA LYS 40 HA LYS 40 -6.631 -1.504 1.478 316 HB2 LYS 40 2HB LYS 40 -8.449 -3.086 1.809 317 HB3 LYS 40 1HB LYS 40 -7.352 -4.246 2.547 318 HG2 LYS 40 2HG LYS 40 -7.055 -2.863 4.463 319 HG3 LYS 40 1HG LYS 40 -7.914 -1.527 3.699 320 HD2 LYS 40 2HD LYS 40 -9.268 -4.166 4.118 321 HD3 LYS 40 1HD LYS 40 -9.146 -3.005 5.440 322 HE2 LYS 40 2HE LYS 40 -10.277 -2.289 2.742 323 HE3 LYS 40 1HE LYS 40 -11.270 -2.936 4.048 324 HZ1 LYS 40 3HZ LYS 40 -9.677 -0.431 4.154 325 HZ2 LYS 40 1HZ LYS 40 -10.573 -1.067 5.440 326 HZ3 LYS 40 2HZ LYS 40 -11.361 -0.534 4.041 327 H VAL 41 HN VAL 41 -4.918 -0.588 2.331 328 HA VAL 41 HA VAL 41 -2.923 -2.288 3.668 329 HB VAL 41 HB VAL 41 -1.218 -0.620 3.031 330 HG11 VAL 41 1HG1 VAL 41 -1.042 -1.242 0.693 331 HG12 VAL 41 2HG1 VAL 41 -2.741 -1.709 0.666 332 HG13 VAL 41 3HG1 VAL 41 -1.592 -2.618 1.650 333 HG21 VAL 41 3HG2 VAL 41 -3.423 0.618 1.384 334 HG22 VAL 41 1HG2 VAL 41 -1.720 1.076 1.344 335 HG23 VAL 41 2HG2 VAL 41 -2.670 1.334 2.808 336 H ARG 42 HN ARG 42 -1.513 -0.970 5.186 337 HA ARG 42 HA ARG 42 -3.297 0.221 7.107 338 HE ARG 42 HE ARG 42 0.160 -3.004 8.496 339 HB2 ARG 42 2HB ARG 42 -1.313 0.200 8.594 340 HB3 ARG 42 1HB ARG 42 -1.597 -1.372 7.859 341 HG2 ARG 42 2HG ARG 42 0.140 -0.806 6.157 342 HG3 ARG 42 1HG ARG 42 0.492 0.652 7.082 343 HD2 ARG 42 2HD ARG 42 2.097 -0.942 7.751 344 HD3 ARG 42 1HD ARG 42 0.920 -0.864 9.060 345 HH11 ARG 42 1HH1 ARG 42 2.702 -1.935 6.336 346 HH12 ARG 42 2HH1 ARG 42 3.032 -3.526 5.738 347 HH21 ARG 42 1HH2 ARG 42 0.600 -5.104 7.706 348 HH22 ARG 42 2HH2 ARG 42 1.829 -5.322 6.483 349 H VAL 43 HN VAL 43 -3.747 2.299 7.155 350 HA VAL 43 HA VAL 43 -1.742 4.209 6.158 351 HB VAL 43 HB VAL 43 -3.570 5.713 5.539 352 HG11 VAL 43 1HG1 VAL 43 -2.725 4.207 3.842 353 HG12 VAL 43 2HG1 VAL 43 -4.459 4.452 3.629 354 HG13 VAL 43 3HG1 VAL 43 -3.859 2.960 4.354 355 HG21 VAL 43 3HG2 VAL 43 -5.380 3.463 6.406 356 HG22 VAL 43 1HG2 VAL 43 -5.896 4.901 5.529 357 HG23 VAL 43 2HG2 VAL 43 -5.240 5.053 7.157 358 H VAL 44 HN VAL 44 -1.948 6.404 7.143 359 HA VAL 44 HA VAL 44 -2.558 6.126 10.008 360 HB VAL 44 HB VAL 44 -0.169 6.502 9.533 361 HG11 VAL 44 1HG1 VAL 44 0.621 8.625 8.645 362 HG12 VAL 44 2HG1 VAL 44 -1.043 9.148 8.379 363 HG13 VAL 44 3HG1 VAL 44 -0.387 7.787 7.466 364 HG21 VAL 44 3HG2 VAL 44 -1.081 7.298 11.636 365 HG22 VAL 44 1HG2 VAL 44 -1.528 8.833 10.890 366 HG23 VAL 44 2HG2 VAL 44 0.174 8.396 11.060 367 H LEU 45 HN LEU 45 -3.939 7.496 10.951 368 HA LEU 45 HA LEU 45 -5.341 9.388 9.232 369 HG LEU 45 HG LEU 45 -6.380 6.653 10.295 370 HB2 LEU 45 2HB LEU 45 -5.949 8.355 12.005 371 HB3 LEU 45 1HB LEU 45 -6.948 9.495 11.132 372 HD11 LEU 45 1HD1 LEU 45 -7.865 6.776 12.209 373 HD12 LEU 45 2HD1 LEU 45 -8.750 6.282 10.766 374 HD13 LEU 45 3HD1 LEU 45 -8.887 7.936 11.364 375 HD21 LEU 45 3HD2 LEU 45 -8.050 7.054 8.552 376 HD22 LEU 45 1HD2 LEU 45 -6.655 8.116 8.369 377 HD23 LEU 45 2HD2 LEU 45 -8.158 8.745 9.044 378 HA PRO 46 HA PRO 46 -3.488 13.082 10.667 379 HB2 PRO 46 2HB PRO 46 -6.224 14.054 11.338 380 HB3 PRO 46 1HB PRO 46 -4.978 14.802 10.332 381 HG2 PRO 46 2HG PRO 46 -7.071 13.629 9.204 382 HG3 PRO 46 1HG PRO 46 -5.452 13.445 8.506 383 HD2 PRO 46 2HD PRO 46 -7.047 11.512 10.131 384 HD3 PRO 46 1HD PRO 46 -5.984 11.210 8.744 385 H ASP 47 HN ASP 47 -5.853 11.581 12.787 386 HA ASP 47 HA ASP 47 -5.048 13.134 15.083 387 HB2 ASP 47 2HB ASP 47 -6.920 10.782 14.799 388 HB3 ASP 47 1HB ASP 47 -6.599 11.598 16.327 389 H GLY 48 HN GLY 48 -3.596 10.667 13.487 390 HA2 GLY 48 2HA GLY 48 -1.553 9.730 14.231 391 HA3 GLY 48 1HA GLY 48 -2.089 9.937 15.896 392 H THR 49 HN THR 49 -4.634 8.725 14.218 393 HA THR 49 HA THR 49 -4.407 6.143 15.407 394 HB THR 49 HB THR 49 -6.478 6.716 13.353 395 HG1 THR 49 1HG THR 49 -7.534 7.844 15.353 396 HG21 THR 49 3HG2 THR 49 -6.498 4.642 14.685 397 HG22 THR 49 1HG2 THR 49 -7.929 5.629 14.975 398 HG23 THR 49 2HG2 THR 49 -6.624 5.605 16.158 399 H ILE 50 HN ILE 50 -4.378 4.161 14.308 400 HA ILE 50 HA ILE 50 -3.401 4.274 11.525 401 HB ILE 50 HB ILE 50 -2.960 2.047 13.523 402 HG12 ILE 50 2HG1 ILE 50 -1.004 4.148 12.553 403 HG13 ILE 50 1HG1 ILE 50 -1.774 4.154 14.136 404 HG21 ILE 50 1HG2 ILE 50 -1.325 1.233 11.874 405 HG22 ILE 50 2HG2 ILE 50 -1.787 2.539 10.782 406 HG23 ILE 50 3HG2 ILE 50 -2.958 1.291 11.209 407 HD11 ILE 50 3HD1 ILE 50 0.123 2.065 13.081 408 HD12 ILE 50 1HD1 ILE 50 -0.673 2.020 14.657 409 HD13 ILE 50 2HD1 ILE 50 0.481 3.303 14.284 410 H LYS 51 HN LYS 51 -4.658 3.369 9.999 411 HA LYS 51 HA LYS 51 -6.657 1.377 10.776 412 HB2 LYS 51 2HB LYS 51 -7.704 3.650 10.913 413 HB3 LYS 51 1HB LYS 51 -7.358 3.864 9.203 414 HG2 LYS 51 2HG LYS 51 -8.794 1.956 8.676 415 HG3 LYS 51 1HG LYS 51 -9.144 1.752 10.393 416 HD2 LYS 51 2HD LYS 51 -10.102 4.015 10.448 417 HD3 LYS 51 1HD LYS 51 -9.788 4.180 8.721 418 HE2 LYS 51 2HE LYS 51 -11.271 2.284 8.271 419 HE3 LYS 51 1HE LYS 51 -11.582 2.115 9.999 420 HZ1 LYS 51 3HZ LYS 51 -12.565 4.321 10.009 421 HZ2 LYS 51 1HZ LYS 51 -13.356 3.324 8.883 422 HZ3 LYS 51 2HZ LYS 51 -12.249 4.492 8.346 423 H ARG 52 HN ARG 52 -7.510 0.185 8.940 424 HA ARG 52 HA ARG 52 -5.636 0.153 6.683 425 HE ARG 52 HE ARG 52 -4.253 -3.959 9.231 426 HB2 ARG 52 2HB ARG 52 -7.746 -1.828 7.533 427 HB3 ARG 52 1HB ARG 52 -6.703 -2.021 6.135 428 HG2 ARG 52 2HG ARG 52 -4.754 -2.087 7.587 429 HG3 ARG 52 1HG ARG 52 -5.795 -1.859 8.999 430 HD2 ARG 52 2HD ARG 52 -6.988 -3.919 8.424 431 HD3 ARG 52 1HD ARG 52 -5.906 -4.161 7.059 432 HH11 ARG 52 1HH1 ARG 52 -7.018 -5.974 8.448 433 HH12 ARG 52 2HH1 ARG 52 -6.377 -7.365 9.271 434 HH21 ARG 52 1HH2 ARG 52 -3.431 -5.791 10.306 435 HH22 ARG 52 2HH2 ARG 52 -4.363 -7.268 10.323 436 H MET 53 HN MET 53 -6.179 0.849 4.729 437 HA MET 53 HA MET 53 -9.025 0.918 3.989 438 HB2 MET 53 2HB MET 53 -7.174 3.290 3.691 439 HB3 MET 53 1HB MET 53 -8.728 3.146 2.882 440 HG2 MET 53 2HG MET 53 -9.697 2.826 5.238 441 HG3 MET 53 1HG MET 53 -8.160 3.471 5.807 442 HE1 MET 53 3HE MET 53 -8.193 7.014 3.998 443 HE2 MET 53 1HE MET 53 -7.501 5.498 3.423 444 HE3 MET 53 2HE MET 53 -7.282 5.988 5.105 445 H ARG 54 HN ARG 54 -9.462 0.888 1.737 446 HA ARG 54 HA ARG 54 -7.530 -0.704 0.305 447 HE ARG 54 HE ARG 54 -12.273 -0.451 0.687 448 HB2 ARG 54 2HB ARG 54 -10.258 0.346 -0.448 449 HB3 ARG 54 1HB ARG 54 -9.276 -0.635 -1.522 450 HG2 ARG 54 2HG ARG 54 -9.404 -2.504 -0.044 451 HG3 ARG 54 1HG ARG 54 -10.182 -1.528 1.206 452 HD2 ARG 54 2HD ARG 54 -11.352 -2.087 -1.521 453 HD3 ARG 54 1HD ARG 54 -11.770 -2.964 -0.048 454 HH11 ARG 54 1HH1 ARG 54 -13.176 -2.192 -2.223 455 HH12 ARG 54 2HH1 ARG 54 -14.619 -1.265 -2.474 456 HH21 ARG 54 1HH2 ARG 54 -14.159 0.745 0.382 457 HH22 ARG 54 2HH2 ARG 54 -15.182 0.412 -0.986 458 H VAL 55 HN VAL 55 -5.943 0.085 -0.874 459 HA VAL 55 HA VAL 55 -6.357 2.648 -2.271 460 HB VAL 55 HB VAL 55 -3.706 1.535 -1.323 461 HG11 VAL 55 1HG1 VAL 55 -4.446 4.233 -2.450 462 HG12 VAL 55 2HG1 VAL 55 -3.560 2.963 -3.296 463 HG13 VAL 55 3HG1 VAL 55 -2.845 3.751 -1.888 464 HG21 VAL 55 3HG2 VAL 55 -3.739 3.307 0.373 465 HG22 VAL 55 1HG2 VAL 55 -5.068 2.168 0.598 466 HG23 VAL 55 2HG2 VAL 55 -5.373 3.750 -0.121 467 H CYS 56 HN CYS 56 -5.561 2.778 -4.398 468 HA CYS 56 HA CYS 56 -5.357 0.214 -5.738 469 HG CYS 56 HG CYS 56 -6.235 4.296 -7.833 470 HB2 CYS 56 2HB CYS 56 -5.429 1.595 -7.813 471 HB3 CYS 56 1HB CYS 56 -6.818 1.831 -6.758 472 H THR 57 HN THR 57 -3.615 -0.373 -7.080 473 HA THR 57 HA THR 57 -1.082 0.038 -6.029 474 HB THR 57 HB THR 57 -1.596 -0.742 -8.895 475 HG1 THR 57 1HG THR 57 -1.542 -2.665 -6.851 476 HG21 THR 57 3HG2 THR 57 0.338 -2.204 -8.543 477 HG22 THR 57 1HG2 THR 57 0.482 -1.621 -6.884 478 HG23 THR 57 2HG2 THR 57 0.753 -0.519 -8.233 479 H SER 58 HN SER 58 -2.795 1.812 -8.518 480 HA SER 58 HA SER 58 -0.657 3.213 -9.650 481 HG SER 58 HG SER 58 -3.232 3.314 -11.666 482 HB2 SER 58 2HB SER 58 -3.496 4.189 -9.260 483 HB3 SER 58 1HB SER 58 -2.339 4.781 -10.452 484 H CYS 59 HN CYS 59 -2.629 3.938 -6.791 485 HA CYS 59 HA CYS 59 -1.221 6.380 -6.236 486 HG CYS 59 HG CYS 59 -3.494 7.257 -6.831 487 HB2 CYS 59 2HB CYS 59 -3.221 4.742 -4.688 488 HB3 CYS 59 1HB CYS 59 -2.489 6.207 -4.047 489 H LEU 60 HN LEU 60 -1.112 3.039 -5.178 490 HA LEU 60 HA LEU 60 0.607 3.300 -2.989 491 HG LEU 60 HG LEU 60 -1.737 1.482 -3.530 492 HB2 LEU 60 2HB LEU 60 0.257 1.031 -4.945 493 HB3 LEU 60 1HB LEU 60 1.229 0.914 -3.493 494 HD11 LEU 60 1HD1 LEU 60 -1.979 -0.803 -2.711 495 HD12 LEU 60 2HD1 LEU 60 -0.244 -1.058 -2.891 496 HD13 LEU 60 3HD1 LEU 60 -1.248 -0.769 -4.313 497 HD21 LEU 60 3HD2 LEU 60 -1.580 1.002 -1.121 498 HD22 LEU 60 1HD2 LEU 60 -0.644 2.426 -1.585 499 HD23 LEU 60 2HD2 LEU 60 0.174 0.894 -1.274 500 H LYS 61 HN LYS 61 1.356 2.673 -6.403 501 HA LYS 61 HA LYS 61 4.191 2.642 -5.913 502 HB2 LYS 61 2HB LYS 61 2.861 1.331 -7.701 503 HB3 LYS 61 1HB LYS 61 2.889 2.826 -8.620 504 HG2 LYS 61 2HG LYS 61 5.494 1.895 -7.606 505 HG3 LYS 61 1HG LYS 61 4.737 0.894 -8.843 506 HD2 LYS 61 2HD LYS 61 4.575 2.810 -10.330 507 HD3 LYS 61 1HD LYS 61 5.240 3.860 -9.077 508 HE2 LYS 61 2HE LYS 61 6.902 3.174 -10.792 509 HE3 LYS 61 1HE LYS 61 7.344 2.713 -9.150 510 HZ1 LYS 61 3HZ LYS 61 7.709 0.947 -10.825 511 HZ2 LYS 61 1HZ LYS 61 6.032 0.881 -11.085 512 HZ3 LYS 61 2HZ LYS 61 6.677 0.482 -9.566 513 H SER 62 HN SER 62 1.957 5.081 -6.199 514 HA SER 62 HA SER 62 3.825 6.994 -7.378 515 HG SER 62 HG SER 62 2.550 9.314 -6.805 516 HB2 SER 62 2HB SER 62 1.368 7.004 -7.963 517 HB3 SER 62 1HB SER 62 1.040 7.504 -6.305 518 H GLY 63 HN GLY 63 2.564 5.930 -4.338 519 HA2 GLY 63 2HA GLY 63 3.358 6.367 -2.213 520 HA3 GLY 63 1HA GLY 63 4.461 7.553 -2.898 521 H LYS 64 HN LYS 64 1.083 7.699 -3.641 522 HA LYS 64 HA LYS 64 0.896 10.268 -2.289 523 HB2 LYS 64 2HB LYS 64 -0.773 8.822 -4.313 524 HB3 LYS 64 1HB LYS 64 -1.471 10.153 -3.400 525 HG2 LYS 64 2HG LYS 64 0.996 10.309 -5.122 526 HG3 LYS 64 1HG LYS 64 -0.614 10.874 -5.569 527 HD2 LYS 64 2HD LYS 64 1.042 11.904 -3.266 528 HD3 LYS 64 1HD LYS 64 0.791 12.728 -4.806 529 HE2 LYS 64 2HE LYS 64 -1.427 11.966 -2.912 530 HE3 LYS 64 1HE LYS 64 -0.644 13.545 -2.922 531 HZ1 LYS 64 3HZ LYS 64 -2.036 12.365 -5.273 532 HZ2 LYS 64 1HZ LYS 64 -1.431 13.942 -5.128 533 HZ3 LYS 64 2HZ LYS 64 -2.758 13.452 -4.188 534 H VAL 65 HN VAL 65 1.033 7.872 -0.671 535 HA VAL 65 HA VAL 65 -1.657 7.909 0.518 536 HB VAL 65 HB VAL 65 -1.243 5.573 1.277 537 HG11 VAL 65 1HG1 VAL 65 -1.228 6.038 -1.700 538 HG12 VAL 65 2HG1 VAL 65 -2.643 6.015 -0.648 539 HG13 VAL 65 3HG1 VAL 65 -1.709 4.541 -0.901 540 HG21 VAL 65 3HG2 VAL 65 1.099 5.724 -0.622 541 HG22 VAL 65 1HG2 VAL 65 0.471 4.246 0.109 542 HG23 VAL 65 2HG2 VAL 65 1.177 5.503 1.127 543 H LYS 66 HN LYS 66 -1.758 8.561 2.551 544 HA LYS 66 HA LYS 66 0.620 8.863 4.154 545 HB2 LYS 66 2HB LYS 66 -2.310 9.269 4.811 546 HB3 LYS 66 1HB LYS 66 -0.985 9.657 5.900 547 HG2 LYS 66 2HG LYS 66 -0.156 11.325 4.387 548 HG3 LYS 66 1HG LYS 66 -1.344 10.867 3.167 549 HD2 LYS 66 2HD LYS 66 -2.007 11.987 5.891 550 HD3 LYS 66 1HD LYS 66 -1.957 12.925 4.398 551 HE2 LYS 66 2HE LYS 66 -3.701 11.446 3.456 552 HE3 LYS 66 1HE LYS 66 -3.789 10.606 5.002 553 HZ1 LYS 66 3HZ LYS 66 -5.526 12.200 4.935 554 HZ2 LYS 66 1HZ LYS 66 -4.469 13.442 4.460 555 HZ3 LYS 66 2HZ LYS 66 -4.357 12.792 6.017 556 H LYS 67 HN LYS 67 1.514 7.012 4.802 557 HA LYS 67 HA LYS 67 -0.252 4.747 5.447 558 HB2 LYS 67 2HB LYS 67 1.629 3.327 4.711 559 HB3 LYS 67 1HB LYS 67 1.072 4.409 3.437 560 HG2 LYS 67 2HG LYS 67 3.021 5.889 4.665 561 HG3 LYS 67 1HG LYS 67 3.662 4.248 4.763 562 HD2 LYS 67 2HD LYS 67 3.404 3.978 2.365 563 HD3 LYS 67 1HD LYS 67 2.683 5.585 2.242 564 HE2 LYS 67 2HE LYS 67 4.797 6.534 3.145 565 HE3 LYS 67 1HE LYS 67 5.498 4.916 3.083 566 HZ1 LYS 67 3HZ LYS 67 6.119 6.127 1.134 567 HZ2 LYS 67 1HZ LYS 67 4.503 6.495 0.784 568 HZ3 LYS 67 2HZ LYS 67 5.048 4.893 0.680 569 H TYR 68 HN TYR 68 0.987 3.036 6.805 570 HA TYR 68 HA TYR 68 2.297 4.410 9.032 571 HD1 TYR 68 1HD TYR 68 2.659 4.130 11.177 572 HD2 TYR 68 2HD TYR 68 1.589 0.063 10.509 573 HE1 TYR 68 1HE TYR 68 3.813 3.489 13.253 574 HE2 TYR 68 2HE TYR 68 2.742 -0.584 12.580 575 HH TYR 68 HH TYR 68 3.952 1.776 14.847 576 HB2 TYR 68 2HB TYR 68 0.412 3.010 9.668 577 HB3 TYR 68 1HB TYR 68 1.129 1.622 8.857 578 H VAL 69 HN VAL 69 3.955 4.587 7.238 579 HA VAL 69 HA VAL 69 6.031 4.295 6.516 580 HB VAL 69 HB VAL 69 6.493 4.686 8.869 581 HG11 VAL 69 1HG1 VAL 69 6.626 1.694 9.150 582 HG12 VAL 69 2HG1 VAL 69 5.437 2.764 9.891 583 HG13 VAL 69 3HG1 VAL 69 7.132 2.866 10.367 584 HG21 VAL 69 3HG2 VAL 69 8.791 3.846 8.896 585 HG22 VAL 69 1HG2 VAL 69 8.340 4.479 7.314 586 HG23 VAL 69 2HG2 VAL 69 8.392 2.737 7.583 587 H GLY 70 HN GLY 70 5.248 1.078 7.931 588 HA2 GLY 70 2HA GLY 70 7.297 -0.205 6.429 589 HA3 GLY 70 1HA GLY 70 6.033 -1.003 7.347 590 H GLN 71 HN GLN 71 6.869 0.413 4.251 591 HA GLN 71 HA GLN 71 4.687 -1.108 2.993 592 HB2 GLN 71 2HB GLN 71 6.353 1.187 1.941 593 HB3 GLN 71 1HB GLN 71 5.118 0.342 1.016 594 HG2 GLN 71 2HG GLN 71 4.595 1.809 3.590 595 HG3 GLN 71 1HG GLN 71 4.403 2.515 1.985 596 HE21 GLN 71 1HE2 GLN 71 2.752 1.773 0.649 597 HE22 GLN 71 2HE2 GLN 71 1.392 0.906 1.273 598 H VAL 72 HN VAL 72 7.737 -1.487 3.841 599 HA VAL 72 HA VAL 72 9.574 -2.598 3.206 600 HB VAL 72 HB VAL 72 9.161 -4.918 2.333 601 HG11 VAL 72 1HG1 VAL 72 7.616 -3.956 4.729 602 HG12 VAL 72 2HG1 VAL 72 9.306 -4.455 4.687 603 HG13 VAL 72 3HG1 VAL 72 8.028 -5.638 4.408 604 HG21 VAL 72 3HG2 VAL 72 7.118 -4.563 1.054 605 HG22 VAL 72 1HG2 VAL 72 6.264 -4.088 2.523 606 HG23 VAL 72 2HG2 VAL 72 6.845 -5.742 2.336 607 H SER 73 HN SER 73 7.744 -3.551 0.288 608 HA SER 73 HA SER 73 10.203 -3.004 -1.204 609 HG SER 73 HG SER 73 9.433 -3.836 -3.638 610 HB2 SER 73 2HB SER 73 9.194 -5.297 -1.230 611 HB3 SER 73 1HB SER 73 7.787 -4.621 -2.049 612 H GLU 74 HN GLU 74 8.204 -0.945 -0.435 613 HA GLU 74 HA GLU 74 6.721 -0.169 -2.731 614 HB2 GLU 74 2HB GLU 74 6.135 0.591 -0.480 615 HB3 GLU 74 1HB GLU 74 7.662 1.455 -0.362 616 HG2 GLU 74 2HG GLU 74 6.910 2.808 -2.354 617 HG3 GLU 74 1HG GLU 74 5.321 2.072 -2.144 618 H VAL 75 HN VAL 75 7.584 0.488 -4.598 619 HA VAL 75 HA VAL 75 9.903 2.297 -4.480 620 HB VAL 75 HB VAL 75 9.189 0.456 -6.772 621 HG11 VAL 75 1HG1 VAL 75 11.372 1.123 -7.677 622 HG12 VAL 75 2HG1 VAL 75 11.576 2.247 -6.333 623 HG13 VAL 75 3HG1 VAL 75 10.280 2.499 -7.505 624 HG21 VAL 75 3HG2 VAL 75 10.009 -0.817 -4.854 625 HG22 VAL 75 1HG2 VAL 75 11.429 0.228 -4.758 626 HG23 VAL 75 2HG2 VAL 75 11.192 -0.814 -6.164 627 H GLY 76 HN GLY 76 8.751 4.182 -4.417 628 HA2 GLY 76 2HA GLY 76 7.108 4.737 -6.812 629 HA3 GLY 76 1HA GLY 76 6.625 5.275 -5.211 630 H SER 77 HN SER 77 9.085 6.104 -4.242 631 HA SER 77 HA SER 77 9.905 8.218 -6.102 632 HG SER 77 HG SER 77 7.666 8.626 -5.259 633 HB2 SER 77 2HB SER 77 9.305 8.638 -3.158 634 HB3 SER 77 1HB SER 77 9.852 9.869 -4.303 Start of MODEL 5 1 HA GLN 1 HA GLN 1 -24.194 14.646 -12.794 2 H1 GLN 1 1HT GLN 1 -24.960 16.062 -10.997 3 H2 GLN 1 2HT GLN 1 -23.304 15.731 -10.886 4 H3 GLN 1 3HT GLN 1 -24.396 14.939 -9.857 5 HB2 GLN 1 2HB GLN 1 -22.405 13.524 -11.525 6 HB3 GLN 1 1HB GLN 1 -23.612 12.709 -10.541 7 HG2 GLN 1 2HG GLN 1 -22.742 11.207 -12.211 8 HG3 GLN 1 1HG GLN 1 -24.442 11.550 -12.532 9 HE21 GLN 1 1HE2 GLN 1 -21.166 12.016 -13.595 10 HE22 GLN 1 2HE2 GLN 1 -21.555 12.632 -15.169 11 H GLY 2 HN GLY 2 -25.534 12.808 -10.038 12 HA2 GLY 2 2HA GLY 2 -28.080 12.949 -9.932 13 HA3 GLY 2 1HA GLY 2 -27.998 12.479 -11.627 14 H HIS 3 HN HIS 3 -27.032 10.409 -12.139 15 HA HIS 3 HA HIS 3 -27.831 8.361 -10.323 16 HD1 HIS 3 1HD HIS 3 -24.854 6.153 -12.830 17 HD2 HIS 3 2HD HIS 3 -25.971 9.969 -14.071 18 HE1 HIS 3 1HE HIS 3 -23.072 6.896 -14.450 19 HE2 HIS 3 2HE HIS 3 -23.831 9.149 -15.287 20 HB2 HIS 3 2HB HIS 3 -27.098 6.791 -11.983 21 HB3 HIS 3 1HB HIS 3 -27.900 8.122 -12.802 22 H MET 4 HN MET 4 -26.376 6.593 -9.594 23 HA MET 4 HA MET 4 -24.284 7.767 -8.042 24 HB2 MET 4 2HB MET 4 -25.735 5.968 -7.183 25 HB3 MET 4 1HB MET 4 -25.058 4.864 -8.371 26 HG2 MET 4 2HG MET 4 -22.852 5.084 -7.333 27 HG3 MET 4 1HG MET 4 -23.531 6.186 -6.137 28 HE1 MET 4 3HE MET 4 -26.390 4.780 -5.619 29 HE2 MET 4 1HE MET 4 -25.363 5.470 -4.362 30 HE3 MET 4 2HE MET 4 -25.990 3.829 -4.190 31 H ILE 5 HN ILE 5 -22.504 8.381 -9.129 32 HA ILE 5 HA ILE 5 -21.155 6.441 -10.861 33 HB ILE 5 HB ILE 5 -19.643 8.199 -11.522 34 HG12 ILE 5 2HG1 ILE 5 -19.568 9.355 -9.280 35 HG13 ILE 5 1HG1 ILE 5 -19.651 10.429 -10.668 36 HG21 ILE 5 1HG2 ILE 5 -21.702 8.087 -12.742 37 HG22 ILE 5 2HG2 ILE 5 -21.222 9.776 -12.571 38 HG23 ILE 5 3HG2 ILE 5 -22.508 9.116 -11.558 39 HD11 ILE 5 3HD1 ILE 5 -22.011 10.808 -10.257 40 HD12 ILE 5 1HD1 ILE 5 -21.054 11.188 -8.828 41 HD13 ILE 5 2HD1 ILE 5 -21.967 9.683 -8.901 42 H MET 6 HN MET 6 -18.831 6.093 -10.514 43 HA MET 6 HA MET 6 -17.031 5.510 -9.259 44 HB2 MET 6 2HB MET 6 -16.889 7.835 -8.564 45 HB3 MET 6 1HB MET 6 -18.116 7.576 -7.333 46 HG2 MET 6 2HG MET 6 -16.585 6.015 -6.184 47 HG3 MET 6 1HG MET 6 -15.353 6.383 -7.389 48 HE1 MET 6 3HE MET 6 -15.003 6.682 -4.177 49 HE2 MET 6 1HE MET 6 -14.067 8.174 -4.135 50 HE3 MET 6 2HE MET 6 -13.718 6.955 -5.360 51 H ALA 7 HN ALA 7 -17.504 3.407 -8.881 52 HA ALA 7 HA ALA 7 -19.390 2.706 -6.786 53 HB1 ALA 7 1HB ALA 7 -19.438 1.479 -8.903 54 HB2 ALA 7 2HB ALA 7 -19.087 0.407 -7.545 55 HB3 ALA 7 3HB ALA 7 -17.788 0.925 -8.619 56 H LYS 8 HN LYS 8 -16.306 1.133 -7.494 57 HA LYS 8 HA LYS 8 -15.482 1.598 -4.713 58 HB2 LYS 8 2HB LYS 8 -15.324 -1.006 -6.245 59 HB3 LYS 8 1HB LYS 8 -14.405 -0.696 -4.780 60 HG2 LYS 8 2HG LYS 8 -16.243 -1.855 -3.997 61 HG3 LYS 8 1HG LYS 8 -16.703 -0.176 -3.721 62 HD2 LYS 8 2HD LYS 8 -17.931 -0.240 -5.898 63 HD3 LYS 8 1HD LYS 8 -17.597 -1.971 -5.973 64 HE2 LYS 8 2HE LYS 8 -19.794 -1.709 -5.075 65 HE3 LYS 8 1HE LYS 8 -18.740 -2.192 -3.746 66 HZ1 LYS 8 3HZ LYS 8 -19.765 0.535 -4.329 67 HZ2 LYS 8 1HZ LYS 8 -18.575 0.205 -3.163 68 HZ3 LYS 8 2HZ LYS 8 -20.133 -0.439 -2.989 69 H ARG 9 HN ARG 9 -13.922 3.018 -4.942 70 HA ARG 9 HA ARG 9 -11.776 2.483 -6.892 71 HE ARG 9 HE ARG 9 -12.417 6.261 -9.148 72 HB2 ARG 9 2HB ARG 9 -12.688 5.210 -5.951 73 HB3 ARG 9 1HB ARG 9 -11.595 4.841 -7.282 74 HG2 ARG 9 2HG ARG 9 -14.304 3.685 -7.438 75 HG3 ARG 9 1HG ARG 9 -14.171 5.430 -7.621 76 HD2 ARG 9 2HD ARG 9 -12.397 3.580 -9.160 77 HD3 ARG 9 1HD ARG 9 -14.034 3.922 -9.715 78 HH11 ARG 9 1HH1 ARG 9 -13.368 3.893 -11.541 79 HH12 ARG 9 2HH1 ARG 9 -13.137 4.964 -12.897 80 HH21 ARG 9 1HH2 ARG 9 -12.114 7.700 -10.921 81 HH22 ARG 9 2HH2 ARG 9 -12.405 7.129 -12.544 82 H CYS 10 HN CYS 10 -9.832 4.080 -6.191 83 HA CYS 10 HA CYS 10 -8.897 3.277 -3.645 84 HG CYS 10 HG CYS 10 -5.418 5.451 -4.233 85 HB2 CYS 10 2HB CYS 10 -7.382 3.951 -5.477 86 HB3 CYS 10 1HB CYS 10 -7.994 5.596 -5.373 87 H GLU 11 HN GLU 11 -9.366 4.079 -1.685 88 HA GLU 11 HA GLU 11 -11.354 6.130 -1.482 89 HB2 GLU 11 2HB GLU 11 -9.791 4.798 0.738 90 HB3 GLU 11 1HB GLU 11 -11.296 5.696 0.907 91 HG2 GLU 11 2HG GLU 11 -12.365 3.992 -0.589 92 HG3 GLU 11 1HG GLU 11 -10.879 3.052 -0.462 93 H VAL 12 HN VAL 12 -8.092 6.319 -1.876 94 HA VAL 12 HA VAL 12 -7.696 8.661 -0.182 95 HB VAL 12 HB VAL 12 -5.755 7.307 -2.069 96 HG11 VAL 12 1HG1 VAL 12 -5.195 9.645 -1.627 97 HG12 VAL 12 2HG1 VAL 12 -4.034 8.557 -0.869 98 HG13 VAL 12 3HG1 VAL 12 -5.276 9.342 0.108 99 HG21 VAL 12 3HG2 VAL 12 -6.035 7.048 0.925 100 HG22 VAL 12 1HG2 VAL 12 -4.762 6.325 -0.058 101 HG23 VAL 12 2HG2 VAL 12 -6.436 5.810 -0.266 102 H CYS 13 HN CYS 13 -7.035 7.916 -3.614 103 HA CYS 13 HA CYS 13 -7.245 10.781 -4.172 104 HG CYS 13 HG CYS 13 -6.916 11.464 -6.896 105 HB2 CYS 13 2HB CYS 13 -5.180 9.537 -4.814 106 HB3 CYS 13 1HB CYS 13 -6.147 8.585 -5.932 107 H GLY 14 HN GLY 14 -9.067 7.945 -4.531 108 HA2 GLY 14 2HA GLY 14 -11.224 7.803 -5.407 109 HA3 GLY 14 1HA GLY 14 -10.978 9.346 -6.210 110 H LYS 15 HN LYS 15 -8.305 7.690 -6.967 111 HA LYS 15 HA LYS 15 -9.104 7.242 -9.649 112 HB2 LYS 15 2HB LYS 15 -6.598 6.462 -8.159 113 HB3 LYS 15 1HB LYS 15 -6.813 6.239 -9.888 114 HG2 LYS 15 2HG LYS 15 -7.136 8.676 -10.123 115 HG3 LYS 15 1HG LYS 15 -6.803 8.856 -8.399 116 HD2 LYS 15 2HD LYS 15 -4.574 8.004 -8.685 117 HD3 LYS 15 1HD LYS 15 -4.895 7.609 -10.375 118 HE2 LYS 15 2HE LYS 15 -5.220 9.995 -10.856 119 HE3 LYS 15 1HE LYS 15 -4.880 10.374 -9.169 120 HZ1 LYS 15 3HZ LYS 15 -2.653 9.603 -9.425 121 HZ2 LYS 15 1HZ LYS 15 -2.973 10.683 -10.692 122 HZ3 LYS 15 2HZ LYS 15 -2.961 9.015 -10.986 123 H ALA 16 HN ALA 16 -8.951 5.227 -10.812 124 HA ALA 16 HA ALA 16 -10.376 3.131 -9.514 125 HB1 ALA 16 1HB ALA 16 -10.231 1.989 -11.689 126 HB2 ALA 16 2HB ALA 16 -9.118 3.236 -12.257 127 HB3 ALA 16 3HB ALA 16 -10.782 3.658 -11.852 128 HA PRO 17 HA PRO 17 -6.901 0.660 -8.252 129 HB2 PRO 17 2HB PRO 17 -8.090 -1.753 -8.062 130 HB3 PRO 17 1HB PRO 17 -8.401 -0.448 -6.914 131 HG2 PRO 17 2HG PRO 17 -10.044 -1.344 -9.247 132 HG3 PRO 17 1HG PRO 17 -10.573 -0.882 -7.618 133 HD2 PRO 17 2HD PRO 17 -10.702 0.792 -9.770 134 HD3 PRO 17 1HD PRO 17 -10.511 1.358 -8.101 135 H ARG 18 HN ARG 18 -5.318 0.305 -9.692 136 HA ARG 18 HA ARG 18 -5.682 -0.511 -12.341 137 HE ARG 18 HE ARG 18 -3.116 -1.540 -15.306 138 HB2 ARG 18 2HB ARG 18 -3.664 0.679 -11.413 139 HB3 ARG 18 1HB ARG 18 -3.146 -0.861 -10.735 140 HG2 ARG 18 2HG ARG 18 -1.990 -0.516 -12.798 141 HG3 ARG 18 1HG ARG 18 -3.165 -1.814 -13.034 142 HD2 ARG 18 2HD ARG 18 -4.669 0.299 -13.723 143 HD3 ARG 18 1HD ARG 18 -3.080 0.913 -14.171 144 HH11 ARG 18 1HH1 ARG 18 -5.240 1.238 -15.414 145 HH12 ARG 18 2HH1 ARG 18 -5.929 0.826 -16.960 146 HH21 ARG 18 1HH2 ARG 18 -4.000 -2.090 -17.347 147 HH22 ARG 18 2HH2 ARG 18 -5.208 -1.071 -18.060 148 H SER 19 HN SER 19 -6.047 -2.422 -13.224 149 HA SER 19 HA SER 19 -5.817 -4.803 -11.511 150 HG SER 19 HG SER 19 -7.812 -3.134 -11.676 151 HB2 SER 19 2HB SER 19 -7.581 -4.627 -13.939 152 HB3 SER 19 1HB SER 19 -7.768 -5.635 -12.503 153 H GLY 20 HN GLY 20 -4.683 -6.564 -12.248 154 HA2 GLY 20 2HA GLY 20 -4.308 -7.853 -14.395 155 HA3 GLY 20 1HA GLY 20 -3.586 -6.363 -14.978 156 H ASN 21 HN ASN 21 -1.989 -8.260 -15.314 157 HA ASN 21 HA ASN 21 0.160 -8.888 -15.026 158 HB2 ASN 21 2HB ASN 21 0.077 -6.978 -12.693 159 HB3 ASN 21 1HB ASN 21 1.526 -7.858 -13.173 160 HD21 ASN 21 1HD2 ASN 21 0.992 -5.011 -13.088 161 HD22 ASN 21 2HD2 ASN 21 1.303 -4.423 -14.687 162 H THR 22 HN THR 22 -1.168 -8.634 -11.724 163 HA THR 22 HA THR 22 -1.231 -10.092 -9.987 164 HB THR 22 HB THR 22 -0.890 -12.269 -12.067 165 HG1 THR 22 1HG THR 22 -2.760 -11.275 -12.613 166 HG21 THR 22 3HG2 THR 22 -1.987 -13.699 -10.392 167 HG22 THR 22 1HG2 THR 22 -2.003 -12.351 -9.256 168 HG23 THR 22 2HG2 THR 22 -0.470 -13.042 -9.780 169 H VAL 23 HN VAL 23 0.519 -9.733 -8.774 170 HA VAL 23 HA VAL 23 3.167 -10.237 -9.800 171 HB VAL 23 HB VAL 23 2.422 -9.233 -7.051 172 HG11 VAL 23 1HG1 VAL 23 4.668 -8.274 -7.055 173 HG12 VAL 23 2HG1 VAL 23 4.969 -8.971 -8.647 174 HG13 VAL 23 3HG1 VAL 23 4.724 -10.026 -7.254 175 HG21 VAL 23 3HG2 VAL 23 1.416 -7.810 -8.758 176 HG22 VAL 23 1HG2 VAL 23 2.979 -7.655 -9.560 177 HG23 VAL 23 2HG2 VAL 23 2.745 -6.979 -7.948 178 H SER 24 HN SER 24 2.927 -12.539 -9.964 179 HA SER 24 HA SER 24 3.680 -14.586 -9.374 180 HG SER 24 HG SER 24 6.431 -14.054 -8.506 181 HB2 SER 24 2HB SER 24 4.478 -13.264 -6.778 182 HB3 SER 24 1HB SER 24 4.952 -14.885 -7.284 183 H HIS 25 HN HIS 25 2.920 -16.447 -8.469 184 HA HIS 25 HA HIS 25 0.810 -16.171 -6.429 185 HD1 HIS 25 1HD HIS 25 0.563 -20.283 -8.070 186 HD2 HIS 25 2HD HIS 25 1.567 -17.258 -10.742 187 HE1 HIS 25 1HE HIS 25 1.620 -21.437 -10.043 188 HE2 HIS 25 2HE HIS 25 2.103 -19.597 -11.701 189 HB2 HIS 25 2HB HIS 25 -0.417 -18.032 -7.451 190 HB3 HIS 25 1HB HIS 25 -0.234 -16.711 -8.595 191 H SER 26 HN SER 26 0.658 -17.945 -4.940 192 HA SER 26 HA SER 26 2.768 -19.901 -4.870 193 HG SER 26 HG SER 26 2.839 -16.440 -3.582 194 HB2 SER 26 2HB SER 26 3.731 -18.955 -2.713 195 HB3 SER 26 1HB SER 26 4.122 -18.064 -4.185 196 H ASP 27 HN ASP 27 0.082 -18.277 -3.389 197 HA ASP 27 HA ASP 27 -1.555 -18.917 -1.983 198 HB2 ASP 27 2HB ASP 27 -1.871 -20.915 -3.280 199 HB3 ASP 27 1HB ASP 27 -0.483 -21.691 -2.520 200 H LYS 28 HN LYS 28 -0.684 -17.768 -0.296 201 HA LYS 28 HA LYS 28 0.797 -19.297 1.719 202 HB2 LYS 28 2HB LYS 28 1.532 -16.967 1.066 203 HB3 LYS 28 1HB LYS 28 0.032 -16.367 1.761 204 HG2 LYS 28 2HG LYS 28 1.755 -16.053 3.365 205 HG3 LYS 28 1HG LYS 28 0.729 -17.368 3.937 206 HD2 LYS 28 2HD LYS 28 2.369 -18.980 2.997 207 HD3 LYS 28 1HD LYS 28 3.409 -17.618 2.576 208 HE2 LYS 28 2HE LYS 28 3.435 -16.976 4.974 209 HE3 LYS 28 1HE LYS 28 2.521 -18.438 5.339 210 HZ1 LYS 28 3HZ LYS 28 5.288 -18.217 4.314 211 HZ2 LYS 28 1HZ LYS 28 4.411 -19.669 4.224 212 HZ3 LYS 28 2HZ LYS 28 4.747 -18.972 5.731 213 H LYS 29 HN LYS 29 -2.188 -19.241 0.810 214 HA LYS 29 HA LYS 29 -4.278 -19.339 1.656 215 HB2 LYS 29 2HB LYS 29 -3.193 -21.106 3.074 216 HB3 LYS 29 1HB LYS 29 -2.942 -19.888 4.316 217 HG2 LYS 29 2HG LYS 29 -5.352 -19.572 4.511 218 HG3 LYS 29 1HG LYS 29 -5.614 -20.760 3.233 219 HD2 LYS 29 2HD LYS 29 -4.631 -22.498 4.608 220 HD3 LYS 29 1HD LYS 29 -4.273 -21.324 5.878 221 HE2 LYS 29 2HE LYS 29 -6.669 -20.885 6.134 222 HE3 LYS 29 1HE LYS 29 -7.017 -22.055 4.865 223 HZ1 LYS 29 3HZ LYS 29 -5.624 -22.726 7.399 224 HZ2 LYS 29 1HZ LYS 29 -6.188 -23.811 6.222 225 HZ3 LYS 29 2HZ LYS 29 -7.289 -22.919 7.153 226 H SER 30 HN SER 30 -3.761 -16.906 1.192 227 HA SER 30 HA SER 30 -4.165 -15.280 3.589 228 HG SER 30 HG SER 30 -4.636 -12.982 2.691 229 HB2 SER 30 2HB SER 30 -2.537 -14.587 1.768 230 HB3 SER 30 1HB SER 30 -3.928 -14.348 0.713 231 H GLU 31 HN GLU 31 -5.733 -16.444 0.724 232 HA GLU 31 HA GLU 31 -7.883 -16.713 0.129 233 HB2 GLU 31 2HB GLU 31 -8.394 -16.288 3.071 234 HB3 GLU 31 1HB GLU 31 -9.543 -16.958 1.924 235 HG2 GLU 31 2HG GLU 31 -8.068 -18.849 1.525 236 HG3 GLU 31 1HG GLU 31 -6.889 -18.176 2.649 237 H ARG 32 HN ARG 32 -8.621 -14.412 2.733 238 HA ARG 32 HA ARG 32 -9.979 -12.765 0.701 239 HE ARG 32 HE ARG 32 -13.841 -11.502 -0.302 240 HB2 ARG 32 2HB ARG 32 -11.236 -14.554 2.372 241 HB3 ARG 32 1HB ARG 32 -11.385 -13.046 3.258 242 HG2 ARG 32 2HG ARG 32 -12.211 -13.372 0.389 243 HG3 ARG 32 1HG ARG 32 -13.298 -13.609 1.756 244 HD2 ARG 32 2HD ARG 32 -12.869 -11.302 2.475 245 HD3 ARG 32 1HD ARG 32 -11.817 -11.072 1.079 246 HH11 ARG 32 1HH1 ARG 32 -14.174 -10.391 3.001 247 HH12 ARG 32 2HH1 ARG 32 -15.746 -9.701 2.750 248 HH21 ARG 32 1HH2 ARG 32 -15.880 -10.551 -0.664 249 HH22 ARG 32 2HH2 ARG 32 -16.689 -9.723 0.645 250 H TRP 33 HN TRP 33 -7.482 -12.401 2.319 251 HA TRP 33 HA TRP 33 -8.087 -10.449 4.323 252 HD1 TRP 33 1HD TRP 33 -4.996 -8.282 3.791 253 HE1 TRP 33 1HE TRP 33 -4.211 -7.388 6.078 254 HE3 TRP 33 3HE TRP 33 -6.100 -12.354 6.672 255 HZ2 TRP 33 2HZ TRP 33 -4.081 -8.294 8.742 256 HZ3 TRP 33 3HZ TRP 33 -5.615 -12.260 9.083 257 HH2 TRP 33 2HH TRP 33 -4.624 -10.269 10.096 258 HB2 TRP 33 2HB TRP 33 -6.039 -11.968 4.245 259 HB3 TRP 33 1HB TRP 33 -5.411 -10.898 2.997 260 H PHE 34 HN PHE 34 -7.071 -10.407 0.956 261 HA PHE 34 HA PHE 34 -7.378 -7.473 0.939 262 HD1 PHE 34 1HD PHE 34 -5.021 -5.992 1.001 263 HD2 PHE 34 2HD PHE 34 -4.054 -10.124 0.681 264 HE1 PHE 34 1HE PHE 34 -3.169 -5.677 2.590 265 HE2 PHE 34 2HE PHE 34 -2.203 -9.818 2.271 266 HZ PHE 34 HZ PHE 34 -1.757 -7.592 3.227 267 HB2 PHE 34 2HB PHE 34 -5.578 -9.169 -0.807 268 HB3 PHE 34 1HB PHE 34 -5.771 -7.425 -0.929 269 H ARG 35 HN ARG 35 -7.626 -6.774 -1.505 270 HA ARG 35 HA ARG 35 -9.598 -8.524 -2.813 271 HE ARG 35 HE ARG 35 -13.283 -7.178 -0.696 272 HB2 ARG 35 2HB ARG 35 -9.352 -5.512 -2.775 273 HB3 ARG 35 1HB ARG 35 -10.298 -6.356 -3.992 274 HG2 ARG 35 2HG ARG 35 -10.769 -6.643 -1.034 275 HG3 ARG 35 1HG ARG 35 -11.594 -5.460 -2.047 276 HD2 ARG 35 2HD ARG 35 -12.374 -7.360 -3.483 277 HD3 ARG 35 1HD ARG 35 -11.703 -8.464 -2.283 278 HH11 ARG 35 1HH1 ARG 35 -13.978 -7.944 -4.056 279 HH12 ARG 35 2HH1 ARG 35 -15.700 -7.942 -3.817 280 HH21 ARG 35 1HH2 ARG 35 -15.540 -7.191 -0.402 281 HH22 ARG 35 2HH2 ARG 35 -16.589 -7.530 -1.749 282 HA PRO 36 HA PRO 36 -6.810 -9.304 -6.084 283 HB2 PRO 36 2HB PRO 36 -8.979 -8.524 -7.973 284 HB3 PRO 36 1HB PRO 36 -8.019 -10.008 -7.906 285 HG2 PRO 36 2HG PRO 36 -10.531 -9.996 -7.048 286 HG3 PRO 36 1HG PRO 36 -9.284 -10.903 -6.173 287 HD2 PRO 36 2HD PRO 36 -10.556 -8.285 -5.492 288 HD3 PRO 36 1HD PRO 36 -10.051 -9.609 -4.421 289 H ASN 37 HN ASN 37 -8.679 -6.312 -6.456 290 HA ASN 37 HA ASN 37 -6.469 -5.208 -8.058 291 HB2 ASN 37 2HB ASN 37 -9.351 -4.298 -7.968 292 HB3 ASN 37 1HB ASN 37 -8.094 -3.637 -9.005 293 HD21 ASN 37 1HD2 ASN 37 -10.655 -4.894 -9.670 294 HD22 ASN 37 2HD2 ASN 37 -10.284 -6.227 -10.708 295 H LEU 38 HN LEU 38 -7.789 -5.096 -5.010 296 HA LEU 38 HA LEU 38 -6.985 -2.292 -4.617 297 HG LEU 38 HG LEU 38 -9.598 -2.252 -5.539 298 HB2 LEU 38 2HB LEU 38 -9.357 -3.773 -3.540 299 HB3 LEU 38 1HB LEU 38 -8.694 -2.403 -2.669 300 HD11 LEU 38 1HD1 LEU 38 -11.097 -1.482 -3.035 301 HD12 LEU 38 2HD1 LEU 38 -11.488 -2.839 -4.091 302 HD13 LEU 38 3HD1 LEU 38 -11.623 -1.187 -4.691 303 HD21 LEU 38 3HD2 LEU 38 -9.615 0.167 -5.075 304 HD22 LEU 38 1HD2 LEU 38 -8.006 -0.538 -4.896 305 HD23 LEU 38 2HD2 LEU 38 -8.966 -0.153 -3.467 306 H GLN 39 HN GLN 39 -5.300 -2.106 -3.381 307 HA GLN 39 HA GLN 39 -4.512 -4.281 -1.622 308 HB2 GLN 39 2HB GLN 39 -3.141 -1.742 -2.508 309 HB3 GLN 39 1HB GLN 39 -2.476 -2.789 -1.261 310 HG2 GLN 39 2HG GLN 39 -3.067 -3.584 -4.101 311 HG3 GLN 39 1HG GLN 39 -1.474 -3.233 -3.430 312 HE21 GLN 39 1HE2 GLN 39 -2.111 -4.520 -0.877 313 HE22 GLN 39 2HE2 GLN 39 -2.054 -6.220 -1.174 314 H LYS 40 HN LYS 40 -5.492 -4.315 0.259 315 HA LYS 40 HA LYS 40 -6.335 -1.911 1.607 316 HB2 LYS 40 2HB LYS 40 -6.338 -4.803 2.518 317 HB3 LYS 40 1HB LYS 40 -7.147 -3.478 3.342 318 HG2 LYS 40 2HG LYS 40 -8.727 -3.240 1.612 319 HG3 LYS 40 1HG LYS 40 -7.787 -4.251 0.513 320 HD2 LYS 40 2HD LYS 40 -9.750 -5.423 1.450 321 HD3 LYS 40 1HD LYS 40 -8.223 -6.205 1.858 322 HE2 LYS 40 2HE LYS 40 -8.301 -5.014 4.059 323 HE3 LYS 40 1HE LYS 40 -9.919 -4.458 3.637 324 HZ1 LYS 40 3HZ LYS 40 -9.972 -6.453 5.020 325 HZ2 LYS 40 1HZ LYS 40 -9.086 -7.304 3.851 326 HZ3 LYS 40 2HZ LYS 40 -10.644 -6.750 3.500 327 H VAL 41 HN VAL 41 -4.854 -0.723 2.633 328 HA VAL 41 HA VAL 41 -2.704 -2.128 4.081 329 HB VAL 41 HB VAL 41 -1.250 -0.162 3.624 330 HG11 VAL 41 1HG1 VAL 41 -2.300 -1.608 1.195 331 HG12 VAL 41 2HG1 VAL 41 -1.028 -2.168 2.280 332 HG13 VAL 41 3HG1 VAL 41 -0.769 -0.740 1.280 333 HG21 VAL 41 3HG2 VAL 41 -2.960 1.506 3.192 334 HG22 VAL 41 1HG2 VAL 41 -3.480 0.634 1.751 335 HG23 VAL 41 2HG2 VAL 41 -1.879 1.374 1.804 336 H ARG 42 HN ARG 42 -1.856 -0.987 5.964 337 HA ARG 42 HA ARG 42 -3.987 0.489 7.301 338 HE ARG 42 HE ARG 42 -4.139 -0.717 10.785 339 HB2 ARG 42 2HB ARG 42 -1.406 -0.626 8.410 340 HB3 ARG 42 1HB ARG 42 -2.651 0.175 9.353 341 HG2 ARG 42 2HG ARG 42 -4.232 -1.629 8.518 342 HG3 ARG 42 1HG ARG 42 -2.790 -2.479 7.966 343 HD2 ARG 42 2HD ARG 42 -3.365 -3.318 10.133 344 HD3 ARG 42 1HD ARG 42 -1.905 -2.342 10.296 345 HH11 ARG 42 1HH1 ARG 42 -2.415 -3.384 12.241 346 HH12 ARG 42 2HH1 ARG 42 -2.872 -2.965 13.867 347 HH21 ARG 42 1HH2 ARG 42 -4.752 -0.147 12.911 348 HH22 ARG 42 2HH2 ARG 42 -4.208 -1.117 14.248 349 H VAL 43 HN VAL 43 -3.972 2.596 7.518 350 HA VAL 43 HA VAL 43 -1.468 4.055 6.964 351 HB VAL 43 HB VAL 43 -2.828 5.876 6.078 352 HG11 VAL 43 1HG1 VAL 43 -3.639 4.780 4.033 353 HG12 VAL 43 2HG1 VAL 43 -3.467 3.213 4.826 354 HG13 VAL 43 3HG1 VAL 43 -2.042 4.206 4.518 355 HG21 VAL 43 3HG2 VAL 43 -4.830 5.555 7.433 356 HG22 VAL 43 1HG2 VAL 43 -5.189 4.062 6.562 357 HG23 VAL 43 2HG2 VAL 43 -5.231 5.608 5.716 358 H VAL 44 HN VAL 44 -1.436 6.272 7.945 359 HA VAL 44 HA VAL 44 -2.194 6.012 10.749 360 HB VAL 44 HB VAL 44 -0.481 8.115 9.414 361 HG11 VAL 44 1HG1 VAL 44 -0.841 7.455 12.334 362 HG12 VAL 44 2HG1 VAL 44 -1.471 8.880 11.507 363 HG13 VAL 44 3HG1 VAL 44 0.272 8.653 11.671 364 HG21 VAL 44 3HG2 VAL 44 1.426 6.899 10.390 365 HG22 VAL 44 1HG2 VAL 44 0.548 5.930 9.203 366 HG23 VAL 44 2HG2 VAL 44 0.324 5.631 10.927 367 H LEU 45 HN LEU 45 -3.841 7.047 11.630 368 HA LEU 45 HA LEU 45 -5.240 9.121 10.116 369 HG LEU 45 HG LEU 45 -6.181 6.209 10.668 370 HB2 LEU 45 2HB LEU 45 -5.940 7.635 12.656 371 HB3 LEU 45 1HB LEU 45 -6.954 8.847 11.913 372 HD11 LEU 45 1HD1 LEU 45 -8.543 5.646 10.967 373 HD12 LEU 45 2HD1 LEU 45 -8.797 7.177 11.809 374 HD13 LEU 45 3HD1 LEU 45 -7.745 5.946 12.512 375 HD21 LEU 45 3HD2 LEU 45 -6.469 7.966 9.003 376 HD22 LEU 45 1HD2 LEU 45 -8.036 8.374 9.696 377 HD23 LEU 45 2HD2 LEU 45 -7.794 6.803 8.931 378 HA PRO 46 HA PRO 46 -3.545 12.449 12.477 379 HB2 PRO 46 2HB PRO 46 -5.715 14.109 12.679 380 HB3 PRO 46 1HB PRO 46 -4.739 13.944 11.218 381 HG2 PRO 46 2HG PRO 46 -7.360 12.673 11.903 382 HG3 PRO 46 1HG PRO 46 -6.819 13.374 10.365 383 HD2 PRO 46 2HD PRO 46 -6.847 10.712 10.791 384 HD3 PRO 46 1HD PRO 46 -5.607 11.491 9.788 385 H ASP 47 HN ASP 47 -6.128 10.577 13.600 386 HA ASP 47 HA ASP 47 -6.350 11.773 16.216 387 HB2 ASP 47 2HB ASP 47 -8.313 10.735 15.289 388 HB3 ASP 47 1HB ASP 47 -7.449 9.231 15.002 389 H GLY 48 HN GLY 48 -4.176 9.685 14.697 390 HA2 GLY 48 2HA GLY 48 -2.229 8.830 15.756 391 HA3 GLY 48 1HA GLY 48 -3.087 8.857 17.293 392 H THR 49 HN THR 49 -5.126 7.654 15.028 393 HA THR 49 HA THR 49 -4.714 4.922 15.911 394 HB THR 49 HB THR 49 -6.960 4.924 14.314 395 HG1 THR 49 1HG THR 49 -7.406 7.213 15.850 396 HG21 THR 49 3HG2 THR 49 -6.768 3.921 16.544 397 HG22 THR 49 1HG2 THR 49 -8.223 4.912 16.419 398 HG23 THR 49 2HG2 THR 49 -6.809 5.526 17.276 399 H ILE 50 HN ILE 50 -4.680 3.179 14.401 400 HA ILE 50 HA ILE 50 -3.742 3.968 11.719 401 HB ILE 50 HB ILE 50 -3.014 1.464 13.251 402 HG12 ILE 50 2HG1 ILE 50 -1.370 3.938 12.656 403 HG13 ILE 50 1HG1 ILE 50 -2.008 3.491 14.233 404 HG21 ILE 50 1HG2 ILE 50 -2.001 2.548 10.626 405 HG22 ILE 50 2HG2 ILE 50 -3.037 1.136 10.844 406 HG23 ILE 50 3HG2 ILE 50 -1.381 1.120 11.460 407 HD11 ILE 50 3HD1 ILE 50 0.361 2.971 14.018 408 HD12 ILE 50 1HD1 ILE 50 0.004 1.914 12.650 409 HD13 ILE 50 2HD1 ILE 50 -0.606 1.513 14.257 410 H LYS 51 HN LYS 51 -5.236 3.611 10.243 411 HA LYS 51 HA LYS 51 -7.183 1.434 10.672 412 HB2 LYS 51 2HB LYS 51 -8.205 3.631 10.844 413 HB3 LYS 51 1HB LYS 51 -7.506 4.117 9.306 414 HG2 LYS 51 2HG LYS 51 -8.857 2.275 8.242 415 HG3 LYS 51 1HG LYS 51 -9.685 2.106 9.792 416 HD2 LYS 51 2HD LYS 51 -10.480 4.367 9.680 417 HD3 LYS 51 1HD LYS 51 -9.520 4.681 8.233 418 HE2 LYS 51 2HE LYS 51 -10.842 2.956 7.040 419 HE3 LYS 51 1HE LYS 51 -11.835 2.764 8.485 420 HZ1 LYS 51 3HZ LYS 51 -11.539 5.274 6.916 421 HZ2 LYS 51 1HZ LYS 51 -12.488 5.086 8.309 422 HZ3 LYS 51 2HZ LYS 51 -12.886 4.246 6.894 423 H ARG 52 HN ARG 52 -7.855 0.202 8.875 424 HA ARG 52 HA ARG 52 -5.991 0.095 6.647 425 HE ARG 52 HE ARG 52 -5.346 -4.760 8.232 426 HB2 ARG 52 2HB ARG 52 -8.478 -1.506 7.274 427 HB3 ARG 52 1HB ARG 52 -7.469 -1.777 5.864 428 HG2 ARG 52 2HG ARG 52 -5.592 -2.360 7.301 429 HG3 ARG 52 1HG ARG 52 -6.579 -2.043 8.731 430 HD2 ARG 52 2HD ARG 52 -8.135 -3.798 8.046 431 HD3 ARG 52 1HD ARG 52 -7.156 -4.117 6.617 432 HH11 ARG 52 1HH1 ARG 52 -8.723 -4.907 9.138 433 HH12 ARG 52 2HH1 ARG 52 -8.495 -6.166 10.314 434 HH21 ARG 52 1HH2 ARG 52 -5.029 -6.435 9.774 435 HH22 ARG 52 2HH2 ARG 52 -6.393 -7.048 10.665 436 H MET 53 HN MET 53 -6.371 0.810 4.605 437 HA MET 53 HA MET 53 -9.089 1.722 3.937 438 HB2 MET 53 2HB MET 53 -6.519 3.227 3.410 439 HB3 MET 53 1HB MET 53 -8.061 3.630 2.671 440 HG2 MET 53 2HG MET 53 -8.995 4.032 4.920 441 HG3 MET 53 1HG MET 53 -7.406 3.702 5.608 442 HE1 MET 53 3HE MET 53 -8.293 7.263 2.808 443 HE2 MET 53 1HE MET 53 -9.525 6.122 3.347 444 HE3 MET 53 2HE MET 53 -8.242 5.587 2.261 445 H ARG 54 HN ARG 54 -9.576 1.690 1.658 446 HA ARG 54 HA ARG 54 -8.105 -0.414 0.285 447 HE ARG 54 HE ARG 54 -12.531 0.750 -1.043 448 HB2 ARG 54 2HB ARG 54 -10.547 1.130 -0.617 449 HB3 ARG 54 1HB ARG 54 -9.879 -0.295 -1.400 450 HG2 ARG 54 2HG ARG 54 -10.299 -1.535 0.744 451 HG3 ARG 54 1HG ARG 54 -11.199 -0.120 1.291 452 HD2 ARG 54 2HD ARG 54 -11.790 -1.767 -1.170 453 HD3 ARG 54 1HD ARG 54 -12.688 -1.813 0.345 454 HH11 ARG 54 1HH1 ARG 54 -14.385 -2.111 -0.285 455 HH12 ARG 54 2HH1 ARG 54 -15.919 -1.394 -0.673 456 HH21 ARG 54 1HH2 ARG 54 -14.561 1.691 -1.638 457 HH22 ARG 54 2HH2 ARG 54 -16.013 0.752 -1.467 458 H VAL 55 HN VAL 55 -6.249 0.229 -0.606 459 HA VAL 55 HA VAL 55 -6.279 2.738 -2.174 460 HB VAL 55 HB VAL 55 -3.823 1.417 -1.005 461 HG11 VAL 55 1HG1 VAL 55 -4.260 4.150 -2.179 462 HG12 VAL 55 2HG1 VAL 55 -3.380 2.820 -2.931 463 HG13 VAL 55 3HG1 VAL 55 -2.756 3.570 -1.460 464 HG21 VAL 55 3HG2 VAL 55 -3.854 3.169 0.703 465 HG22 VAL 55 1HG2 VAL 55 -5.282 2.143 0.808 466 HG23 VAL 55 2HG2 VAL 55 -5.398 3.747 0.082 467 H CYS 56 HN CYS 56 -5.327 2.718 -4.236 468 HA CYS 56 HA CYS 56 -5.235 0.043 -5.414 469 HG CYS 56 HG CYS 56 -5.998 3.889 -7.962 470 HB2 CYS 56 2HB CYS 56 -5.449 1.204 -7.569 471 HB3 CYS 56 1HB CYS 56 -6.744 1.646 -6.463 472 H THR 57 HN THR 57 -3.583 -0.481 -6.975 473 HA THR 57 HA THR 57 -0.980 -0.060 -6.047 474 HB THR 57 HB THR 57 -0.475 -0.994 -8.462 475 HG1 THR 57 1HG THR 57 -2.709 -2.276 -8.740 476 HG21 THR 57 3HG2 THR 57 -0.244 -2.268 -6.376 477 HG22 THR 57 1HG2 THR 57 -0.957 -3.258 -7.651 478 HG23 THR 57 2HG2 THR 57 -1.979 -2.588 -6.379 479 H SER 58 HN SER 58 -2.908 1.705 -8.337 480 HA SER 58 HA SER 58 -0.934 3.130 -9.701 481 HG SER 58 HG SER 58 -1.865 5.180 -10.630 482 HB2 SER 58 2HB SER 58 -3.257 3.243 -10.400 483 HB3 SER 58 1HB SER 58 -3.723 3.966 -8.863 484 H CYS 59 HN CYS 59 -2.688 4.008 -6.718 485 HA CYS 59 HA CYS 59 -1.195 6.321 -6.151 486 HG CYS 59 HG CYS 59 -3.525 7.333 -6.086 487 HB2 CYS 59 2HB CYS 59 -2.830 4.477 -4.408 488 HB3 CYS 59 1HB CYS 59 -2.110 5.967 -3.813 489 H LEU 60 HN LEU 60 -0.726 2.945 -5.392 490 HA LEU 60 HA LEU 60 1.286 3.219 -3.451 491 HG LEU 60 HG LEU 60 -1.127 1.259 -3.842 492 HB2 LEU 60 2HB LEU 60 0.728 0.981 -5.398 493 HB3 LEU 60 1HB LEU 60 1.857 0.862 -4.068 494 HD11 LEU 60 1HD1 LEU 60 -1.066 -0.968 -2.815 495 HD12 LEU 60 2HD1 LEU 60 0.659 -1.076 -3.182 496 HD13 LEU 60 3HD1 LEU 60 -0.521 -0.987 -4.492 497 HD21 LEU 60 3HD2 LEU 60 0.959 0.984 -1.682 498 HD22 LEU 60 1HD2 LEU 60 -0.786 1.044 -1.434 499 HD23 LEU 60 2HD2 LEU 60 0.064 2.450 -2.073 500 H LYS 61 HN LYS 61 1.512 2.685 -6.962 501 HA LYS 61 HA LYS 61 4.389 2.816 -6.873 502 HB2 LYS 61 2HB LYS 61 2.467 2.570 -9.183 503 HB3 LYS 61 1HB LYS 61 4.218 2.580 -9.361 504 HG2 LYS 61 2HG LYS 61 4.290 0.626 -7.791 505 HG3 LYS 61 1HG LYS 61 2.533 0.560 -7.911 506 HD2 LYS 61 2HD LYS 61 2.653 0.128 -10.268 507 HD3 LYS 61 1HD LYS 61 4.399 0.392 -10.272 508 HE2 LYS 61 2HE LYS 61 4.653 -1.537 -8.743 509 HE3 LYS 61 1HE LYS 61 2.917 -1.826 -8.861 510 HZ1 LYS 61 3HZ LYS 61 4.788 -1.847 -11.167 511 HZ2 LYS 61 1HZ LYS 61 3.147 -2.268 -11.192 512 HZ3 LYS 61 2HZ LYS 61 4.256 -3.234 -10.352 513 H SER 62 HN SER 62 1.842 5.078 -7.381 514 HA SER 62 HA SER 62 3.577 7.061 -8.561 515 HG SER 62 HG SER 62 0.544 6.141 -9.058 516 HB2 SER 62 2HB SER 62 0.847 7.402 -7.297 517 HB3 SER 62 1HB SER 62 1.692 8.600 -8.278 518 H GLY 63 HN GLY 63 3.083 5.795 -5.505 519 HA2 GLY 63 2HA GLY 63 3.949 6.317 -3.460 520 HA3 GLY 63 1HA GLY 63 4.978 7.483 -4.282 521 H LYS 64 HN LYS 64 1.485 7.183 -3.719 522 HA LYS 64 HA LYS 64 1.585 9.724 -2.271 523 HB2 LYS 64 2HB LYS 64 0.853 10.101 -4.657 524 HB3 LYS 64 1HB LYS 64 -0.558 9.111 -4.306 525 HG2 LYS 64 2HG LYS 64 -1.240 10.686 -2.568 526 HG3 LYS 64 1HG LYS 64 0.183 11.674 -2.909 527 HD2 LYS 64 2HD LYS 64 -0.645 11.859 -5.269 528 HD3 LYS 64 1HD LYS 64 -2.144 11.107 -4.725 529 HE2 LYS 64 2HE LYS 64 -2.332 13.550 -4.785 530 HE3 LYS 64 1HE LYS 64 -2.498 12.929 -3.142 531 HZ1 LYS 64 3HZ LYS 64 -0.342 13.648 -2.587 532 HZ2 LYS 64 1HZ LYS 64 -1.022 14.942 -3.446 533 HZ3 LYS 64 2HZ LYS 64 0.090 13.916 -4.205 534 H VAL 65 HN VAL 65 1.519 8.216 -0.526 535 HA VAL 65 HA VAL 65 -1.206 7.313 0.068 536 HB VAL 65 HB VAL 65 -0.216 5.373 1.307 537 HG11 VAL 65 1HG1 VAL 65 0.299 5.475 -1.663 538 HG12 VAL 65 2HG1 VAL 65 -1.220 5.041 -0.877 539 HG13 VAL 65 3HG1 VAL 65 0.195 4.005 -0.698 540 HG21 VAL 65 3HG2 VAL 65 2.292 6.165 -0.171 541 HG22 VAL 65 1HG2 VAL 65 2.064 4.663 0.727 542 HG23 VAL 65 2HG2 VAL 65 2.052 6.209 1.575 543 H LYS 66 HN LYS 66 -1.338 6.767 2.505 544 HA LYS 66 HA LYS 66 0.101 8.835 4.012 545 HB2 LYS 66 2HB LYS 66 -1.978 9.127 5.339 546 HB3 LYS 66 1HB LYS 66 -2.162 9.574 3.651 547 HG2 LYS 66 2HG LYS 66 -3.130 7.233 3.321 548 HG3 LYS 66 1HG LYS 66 -3.235 7.167 5.081 549 HD2 LYS 66 2HD LYS 66 -4.596 9.112 3.223 550 HD3 LYS 66 1HD LYS 66 -5.355 7.910 4.267 551 HE2 LYS 66 2HE LYS 66 -3.805 10.330 5.195 552 HE3 LYS 66 1HE LYS 66 -5.560 10.172 5.189 553 HZ1 LYS 66 3HZ LYS 66 -5.406 8.413 6.791 554 HZ2 LYS 66 1HZ LYS 66 -4.557 9.756 7.375 555 HZ3 LYS 66 2HZ LYS 66 -3.716 8.436 6.736 556 H LYS 67 HN LYS 67 1.173 6.399 3.838 557 HA LYS 67 HA LYS 67 0.313 4.652 5.976 558 HB2 LYS 67 2HB LYS 67 2.765 4.602 4.200 559 HB3 LYS 67 1HB LYS 67 2.312 3.327 5.323 560 HG2 LYS 67 2HG LYS 67 0.507 4.210 3.098 561 HG3 LYS 67 1HG LYS 67 1.755 2.988 2.869 562 HD2 LYS 67 2HD LYS 67 -0.201 2.700 5.109 563 HD3 LYS 67 1HD LYS 67 -0.694 2.291 3.466 564 HE2 LYS 67 2HE LYS 67 0.067 0.273 4.452 565 HE3 LYS 67 1HE LYS 67 1.339 0.799 3.353 566 HZ1 LYS 67 3HZ LYS 67 2.496 1.747 5.296 567 HZ2 LYS 67 1HZ LYS 67 2.318 0.064 5.385 568 HZ3 LYS 67 2HZ LYS 67 1.315 1.077 6.303 569 H TYR 68 HN TYR 68 2.380 3.826 7.332 570 HA TYR 68 HA TYR 68 3.329 6.153 8.770 571 HD1 TYR 68 2HD TYR 68 5.058 2.193 8.929 572 HD2 TYR 68 1HD TYR 68 0.962 3.067 9.670 573 HE1 TYR 68 2HE TYR 68 4.464 -0.117 8.330 574 HE2 TYR 68 1HE TYR 68 0.355 0.762 9.072 575 HH TYR 68 HH TYR 68 2.672 -1.724 8.683 576 HB2 TYR 68 2HB TYR 68 4.345 4.206 10.239 577 HB3 TYR 68 1HB TYR 68 2.638 4.616 10.335 578 H VAL 69 HN VAL 69 4.397 4.152 6.347 579 HA VAL 69 HA VAL 69 7.108 5.197 6.512 580 HB VAL 69 HB VAL 69 8.102 2.978 5.957 581 HG11 VAL 69 1HG1 VAL 69 8.049 2.070 8.238 582 HG12 VAL 69 2HG1 VAL 69 6.688 3.135 8.614 583 HG13 VAL 69 3HG1 VAL 69 8.265 3.823 8.218 584 HG21 VAL 69 3HG2 VAL 69 5.381 1.923 6.722 585 HG22 VAL 69 1HG2 VAL 69 6.824 0.940 6.461 586 HG23 VAL 69 2HG2 VAL 69 6.124 1.850 5.123 587 H GLY 70 HN GLY 70 8.230 5.132 4.493 588 HA2 GLY 70 2HA GLY 70 8.355 4.501 2.174 589 HA3 GLY 70 1HA GLY 70 6.599 4.362 2.161 590 H GLN 71 HN GLN 71 5.946 5.826 0.706 591 HA GLN 71 HA GLN 71 7.116 8.438 0.503 592 HB2 GLN 71 2HB GLN 71 5.064 6.894 -0.917 593 HB3 GLN 71 1HB GLN 71 4.709 8.613 -0.801 594 HG2 GLN 71 2HG GLN 71 7.290 7.481 -1.850 595 HG3 GLN 71 1HG GLN 71 5.927 7.965 -2.858 596 HE21 GLN 71 1HE2 GLN 71 5.381 10.149 -3.002 597 HE22 GLN 71 2HE2 GLN 71 6.512 11.400 -2.587 598 H VAL 72 HN VAL 72 6.920 9.547 2.352 599 HA VAL 72 HA VAL 72 4.543 9.384 3.952 600 HB VAL 72 HB VAL 72 6.928 11.198 4.325 601 HG11 VAL 72 1HG1 VAL 72 4.977 11.889 5.601 602 HG12 VAL 72 2HG1 VAL 72 6.227 11.250 6.672 603 HG13 VAL 72 3HG1 VAL 72 4.820 10.263 6.268 604 HG21 VAL 72 3HG2 VAL 72 7.652 8.879 4.236 605 HG22 VAL 72 1HG2 VAL 72 6.431 8.435 5.434 606 HG23 VAL 72 2HG2 VAL 72 7.767 9.501 5.884 607 H SER 73 HN SER 73 2.783 10.422 3.182 608 HA SER 73 HA SER 73 2.964 13.190 2.344 609 HG SER 73 HG SER 73 1.196 10.586 1.254 610 HB2 SER 73 2HB SER 73 0.512 11.539 3.048 611 HB3 SER 73 1HB SER 73 0.512 13.110 2.248 612 H GLU 74 HN GLU 74 4.017 14.094 4.131 613 HA GLU 74 HA GLU 74 3.339 13.415 6.792 614 HB2 GLU 74 2HB GLU 74 5.573 14.294 5.837 615 HB3 GLU 74 1HB GLU 74 4.863 15.891 6.031 616 HG2 GLU 74 2HG GLU 74 4.692 15.633 8.375 617 HG3 GLU 74 1HG GLU 74 5.065 13.911 8.280 618 H VAL 75 HN VAL 75 1.815 14.125 8.046 619 HA VAL 75 HA VAL 75 0.139 15.357 8.958 620 HB VAL 75 HB VAL 75 1.109 17.724 7.339 621 HG11 VAL 75 1HG1 VAL 75 -0.385 17.572 9.956 622 HG12 VAL 75 2HG1 VAL 75 -1.068 18.037 8.398 623 HG13 VAL 75 3HG1 VAL 75 0.157 19.052 9.162 624 HG21 VAL 75 3HG2 VAL 75 2.994 16.805 8.559 625 HG22 VAL 75 1HG2 VAL 75 2.049 16.799 10.050 626 HG23 VAL 75 2HG2 VAL 75 2.476 18.329 9.283 627 H GLY 76 HN GLY 76 0.317 14.348 5.943 628 HA2 GLY 76 2HA GLY 76 -1.366 13.857 4.423 629 HA3 GLY 76 1HA GLY 76 -2.464 14.876 5.347 630 H SER 77 HN SER 77 -2.445 17.118 5.002 631 HA SER 77 HA SER 77 -0.716 18.237 2.979 632 HG SER 77 HG SER 77 -1.956 16.490 1.838 633 HB2 SER 77 2HB SER 77 -3.733 18.271 2.642 634 HB3 SER 77 1HB SER 77 -2.577 19.134 1.625 Start of MODEL 6 1 HA GLN 1 HA GLN 1 -10.690 -3.147 -21.389 2 H1 GLN 1 1HT GLN 1 -12.006 -4.309 -19.688 3 H2 GLN 1 2HT GLN 1 -11.858 -5.159 -21.143 4 H3 GLN 1 3HT GLN 1 -13.313 -4.365 -20.771 5 HB2 GLN 1 2HB GLN 1 -13.380 -3.100 -22.764 6 HB3 GLN 1 1HB GLN 1 -12.066 -2.008 -23.176 7 HG2 GLN 1 2HG GLN 1 -10.660 -3.920 -23.762 8 HG3 GLN 1 1HG GLN 1 -11.983 -5.011 -23.357 9 HE21 GLN 1 1HE2 GLN 1 -13.732 -5.167 -24.720 10 HE22 GLN 1 2HE2 GLN 1 -13.716 -4.545 -26.333 11 H GLY 2 HN GLY 2 -10.236 -1.444 -20.198 12 HA2 GLY 2 2HA GLY 2 -10.612 0.766 -19.470 13 HA3 GLY 2 1HA GLY 2 -12.342 0.511 -19.652 14 H HIS 3 HN HIS 3 -11.330 1.729 -17.417 15 HA HIS 3 HA HIS 3 -11.885 -0.327 -15.389 16 HD1 HIS 3 1HD HIS 3 -8.614 1.819 -17.012 17 HD2 HIS 3 2HD HIS 3 -10.129 3.694 -13.614 18 HE1 HIS 3 1HE HIS 3 -7.721 4.163 -17.070 19 HE2 HIS 3 2HE HIS 3 -8.727 5.314 -15.071 20 HB2 HIS 3 2HB HIS 3 -10.423 0.949 -13.807 21 HB3 HIS 3 1HB HIS 3 -9.561 0.182 -15.132 22 H MET 4 HN MET 4 -14.011 0.103 -15.174 23 HA MET 4 HA MET 4 -14.915 2.842 -14.790 24 HB2 MET 4 2HB MET 4 -16.195 1.335 -16.264 25 HB3 MET 4 1HB MET 4 -16.484 0.261 -14.903 26 HG2 MET 4 2HG MET 4 -17.761 1.993 -13.775 27 HG3 MET 4 1HG MET 4 -17.430 3.115 -15.092 28 HE1 MET 4 3HE MET 4 -17.670 1.175 -17.606 29 HE2 MET 4 1HE MET 4 -18.381 2.790 -17.582 30 HE3 MET 4 2HE MET 4 -19.358 1.404 -18.064 31 H ILE 5 HN ILE 5 -15.641 3.686 -12.913 32 HA ILE 5 HA ILE 5 -14.929 2.267 -10.495 33 HB ILE 5 HB ILE 5 -16.133 5.020 -10.782 34 HG12 ILE 5 2HG1 ILE 5 -13.219 4.229 -10.553 35 HG13 ILE 5 1HG1 ILE 5 -13.999 4.809 -12.021 36 HG21 ILE 5 1HG2 ILE 5 -15.193 5.403 -8.558 37 HG22 ILE 5 2HG2 ILE 5 -14.628 3.731 -8.510 38 HG23 ILE 5 3HG2 ILE 5 -16.359 4.078 -8.552 39 HD11 ILE 5 3HD1 ILE 5 -13.666 6.374 -9.470 40 HD12 ILE 5 1HD1 ILE 5 -14.428 6.955 -10.952 41 HD13 ILE 5 2HD1 ILE 5 -12.710 6.560 -10.941 42 H MET 6 HN MET 6 -16.357 0.867 -9.646 43 HA MET 6 HA MET 6 -19.197 1.655 -9.635 44 HB2 MET 6 2HB MET 6 -18.746 -0.467 -10.814 45 HB3 MET 6 1HB MET 6 -18.043 -1.127 -9.344 46 HG2 MET 6 2HG MET 6 -20.234 -0.786 -8.219 47 HG3 MET 6 1HG MET 6 -20.906 -0.317 -9.777 48 HE1 MET 6 3HE MET 6 -22.248 -2.531 -8.098 49 HE2 MET 6 1HE MET 6 -22.479 -3.845 -9.255 50 HE3 MET 6 2HE MET 6 -22.796 -2.180 -9.737 51 H ALA 7 HN ALA 7 -17.625 -0.788 -7.628 52 HA ALA 7 HA ALA 7 -18.301 0.839 -5.267 53 HB1 ALA 7 1HB ALA 7 -18.237 -2.170 -5.488 54 HB2 ALA 7 2HB ALA 7 -19.691 -1.165 -5.442 55 HB3 ALA 7 3HB ALA 7 -18.626 -1.243 -4.037 56 H LYS 8 HN LYS 8 -16.185 -1.886 -6.184 57 HA LYS 8 HA LYS 8 -14.145 -1.216 -4.387 58 HB2 LYS 8 2HB LYS 8 -12.683 -2.692 -5.688 59 HB3 LYS 8 1HB LYS 8 -14.235 -3.437 -5.372 60 HG2 LYS 8 2HG LYS 8 -13.556 -2.121 -7.991 61 HG3 LYS 8 1HG LYS 8 -13.247 -3.824 -7.655 62 HD2 LYS 8 2HD LYS 8 -15.741 -3.951 -7.054 63 HD3 LYS 8 1HD LYS 8 -15.877 -2.391 -7.869 64 HE2 LYS 8 2HE LYS 8 -16.417 -4.070 -9.462 65 HE3 LYS 8 1HE LYS 8 -14.826 -3.439 -9.877 66 HZ1 LYS 8 3HZ LYS 8 -15.323 -5.963 -8.382 67 HZ2 LYS 8 1HZ LYS 8 -13.808 -5.367 -8.860 68 HZ3 LYS 8 2HZ LYS 8 -14.930 -5.863 -10.030 69 H ARG 9 HN ARG 9 -13.187 0.674 -4.331 70 HA ARG 9 HA ARG 9 -11.860 1.727 -6.687 71 HE ARG 9 HE ARG 9 -13.739 5.725 -6.099 72 HB2 ARG 9 2HB ARG 9 -12.838 3.927 -6.447 73 HB3 ARG 9 1HB ARG 9 -14.125 2.757 -6.682 74 HG2 ARG 9 2HG ARG 9 -14.460 2.750 -4.210 75 HG3 ARG 9 1HG ARG 9 -13.298 4.072 -4.104 76 HD2 ARG 9 2HD ARG 9 -15.938 4.078 -5.558 77 HD3 ARG 9 1HD ARG 9 -15.531 4.973 -4.096 78 HH11 ARG 9 1HH1 ARG 9 -17.139 5.991 -5.348 79 HH12 ARG 9 2HH1 ARG 9 -17.376 7.441 -6.276 80 HH21 ARG 9 1HH2 ARG 9 -14.018 7.635 -7.323 81 HH22 ARG 9 2HH2 ARG 9 -15.584 8.395 -7.385 82 H CYS 10 HN CYS 10 -10.443 3.609 -6.049 83 HA CYS 10 HA CYS 10 -9.056 2.953 -3.624 84 HG CYS 10 HG CYS 10 -5.890 5.294 -4.700 85 HB2 CYS 10 2HB CYS 10 -7.874 3.701 -5.673 86 HB3 CYS 10 1HB CYS 10 -8.628 5.285 -5.506 87 H GLU 11 HN GLU 11 -9.429 3.767 -1.665 88 HA GLU 11 HA GLU 11 -11.420 5.798 -1.279 89 HB2 GLU 11 2HB GLU 11 -9.595 4.402 0.683 90 HB3 GLU 11 1HB GLU 11 -10.887 5.503 1.139 91 HG2 GLU 11 2HG GLU 11 -12.492 3.986 0.000 92 HG3 GLU 11 1HG GLU 11 -11.167 2.850 -0.248 93 H VAL 12 HN VAL 12 -8.173 5.952 -2.000 94 HA VAL 12 HA VAL 12 -7.548 8.265 -0.368 95 HB VAL 12 HB VAL 12 -5.931 6.990 -2.583 96 HG11 VAL 12 1HG1 VAL 12 -5.126 8.955 -0.437 97 HG12 VAL 12 2HG1 VAL 12 -5.290 9.309 -2.158 98 HG13 VAL 12 3HG1 VAL 12 -4.037 8.198 -1.598 99 HG21 VAL 12 3HG2 VAL 12 -5.756 6.627 0.409 100 HG22 VAL 12 1HG2 VAL 12 -4.633 5.954 -0.773 101 HG23 VAL 12 2HG2 VAL 12 -6.314 5.424 -0.754 102 H CYS 13 HN CYS 13 -7.368 7.701 -3.893 103 HA CYS 13 HA CYS 13 -7.716 10.572 -4.284 104 HG CYS 13 HG CYS 13 -4.601 10.589 -5.733 105 HB2 CYS 13 2HB CYS 13 -7.013 8.414 -6.278 106 HB3 CYS 13 1HB CYS 13 -6.990 10.149 -6.583 107 H GLY 14 HN GLY 14 -9.470 7.634 -4.596 108 HA2 GLY 14 2HA GLY 14 -11.818 7.571 -4.886 109 HA3 GLY 14 1HA GLY 14 -11.732 9.124 -5.707 110 H LYS 15 HN LYS 15 -9.277 7.385 -6.946 111 HA LYS 15 HA LYS 15 -10.658 7.031 -9.433 112 HB2 LYS 15 2HB LYS 15 -7.809 6.487 -8.599 113 HB3 LYS 15 1HB LYS 15 -8.414 6.210 -10.227 114 HG2 LYS 15 2HG LYS 15 -9.012 8.600 -10.380 115 HG3 LYS 15 1HG LYS 15 -8.299 8.849 -8.785 116 HD2 LYS 15 2HD LYS 15 -6.746 9.467 -10.572 117 HD3 LYS 15 1HD LYS 15 -6.134 8.112 -9.624 118 HE2 LYS 15 2HE LYS 15 -5.763 7.743 -12.010 119 HE3 LYS 15 1HE LYS 15 -6.893 6.556 -11.355 120 HZ1 LYS 15 3HZ LYS 15 -7.629 7.419 -13.500 121 HZ2 LYS 15 1HZ LYS 15 -7.658 8.994 -12.885 122 HZ3 LYS 15 2HZ LYS 15 -8.726 7.821 -12.282 123 H ALA 16 HN ALA 16 -10.383 5.019 -10.724 124 HA ALA 16 HA ALA 16 -11.297 2.732 -9.246 125 HB1 ALA 16 1HB ALA 16 -12.184 3.208 -11.475 126 HB2 ALA 16 2HB ALA 16 -11.402 1.628 -11.435 127 HB3 ALA 16 3HB ALA 16 -10.575 3.002 -12.166 128 HA PRO 17 HA PRO 17 -7.308 1.022 -8.591 129 HB2 PRO 17 2HB PRO 17 -7.984 -1.382 -7.670 130 HB3 PRO 17 1HB PRO 17 -8.420 0.089 -6.795 131 HG2 PRO 17 2HG PRO 17 -10.116 -1.653 -8.527 132 HG3 PRO 17 1HG PRO 17 -10.528 -0.822 -7.018 133 HD2 PRO 17 2HD PRO 17 -11.127 0.087 -9.581 134 HD3 PRO 17 1HD PRO 17 -11.123 1.077 -8.110 135 H ARG 18 HN ARG 18 -5.750 -0.285 -9.438 136 HA ARG 18 HA ARG 18 -6.536 -2.186 -11.536 137 HE ARG 18 HE ARG 18 -3.768 -1.191 -14.466 138 HB2 ARG 18 2HB ARG 18 -3.989 -0.548 -11.394 139 HB3 ARG 18 1HB ARG 18 -4.348 -1.762 -12.613 140 HG2 ARG 18 2HG ARG 18 -6.250 -0.413 -13.381 141 HG3 ARG 18 1HG ARG 18 -5.849 0.814 -12.179 142 HD2 ARG 18 2HD ARG 18 -4.971 1.479 -14.322 143 HD3 ARG 18 1HD ARG 18 -3.634 1.083 -13.245 144 HH11 ARG 18 1HH1 ARG 18 -4.305 1.945 -15.905 145 HH12 ARG 18 2HH1 ARG 18 -3.836 1.445 -17.498 146 HH21 ARG 18 1HH2 ARG 18 -3.113 -1.859 -16.548 147 HH22 ARG 18 2HH2 ARG 18 -3.172 -0.725 -17.870 148 H SER 19 HN SER 19 -6.438 -4.115 -10.534 149 HA SER 19 HA SER 19 -4.711 -4.621 -8.333 150 HG SER 19 HG SER 19 -6.054 -7.087 -10.773 151 HB2 SER 19 2HB SER 19 -5.560 -6.997 -8.624 152 HB3 SER 19 1HB SER 19 -6.803 -5.769 -8.380 153 H GLY 20 HN GLY 20 -2.797 -5.697 -8.227 154 HA2 GLY 20 2HA GLY 20 -1.300 -5.869 -10.695 155 HA3 GLY 20 1HA GLY 20 -0.675 -6.120 -9.071 156 H ASN 21 HN ASN 21 0.341 -7.815 -10.701 157 HA ASN 21 HA ASN 21 -1.062 -10.124 -11.417 158 HB2 ASN 21 2HB ASN 21 1.192 -9.650 -12.240 159 HB3 ASN 21 1HB ASN 21 1.847 -9.839 -10.616 160 HD21 ASN 21 1HD2 ASN 21 0.543 -11.475 -13.398 161 HD22 ASN 21 2HD2 ASN 21 1.007 -13.075 -12.920 162 H THR 22 HN THR 22 0.549 -9.280 -8.404 163 HA THR 22 HA THR 22 0.249 -9.987 -6.272 164 HB THR 22 HB THR 22 -1.973 -11.769 -7.291 165 HG1 THR 22 1HG THR 22 -2.369 -9.582 -7.859 166 HG21 THR 22 3HG2 THR 22 -2.829 -11.570 -5.005 167 HG22 THR 22 1HG2 THR 22 -1.443 -10.578 -4.563 168 HG23 THR 22 2HG2 THR 22 -1.210 -12.266 -5.011 169 H VAL 23 HN VAL 23 2.064 -11.038 -5.793 170 HA VAL 23 HA VAL 23 2.555 -13.712 -6.853 171 HB VAL 23 HB VAL 23 4.322 -12.010 -5.079 172 HG11 VAL 23 1HG1 VAL 23 4.963 -14.453 -6.728 173 HG12 VAL 23 2HG1 VAL 23 4.855 -14.393 -4.970 174 HG13 VAL 23 3HG1 VAL 23 6.124 -13.497 -5.807 175 HG21 VAL 23 3HG2 VAL 23 3.935 -10.879 -7.187 176 HG22 VAL 23 1HG2 VAL 23 4.340 -12.348 -8.077 177 HG23 VAL 23 2HG2 VAL 23 5.579 -11.514 -7.140 178 H SER 24 HN SER 24 1.869 -12.052 -3.848 179 HA SER 24 HA SER 24 2.305 -14.286 -2.134 180 HG SER 24 HG SER 24 3.361 -12.240 -1.603 181 HB2 SER 24 2HB SER 24 0.582 -11.844 -1.645 182 HB3 SER 24 1HB SER 24 1.269 -12.914 -0.422 183 H HIS 25 HN HIS 25 1.115 -16.091 -2.189 184 HA HIS 25 HA HIS 25 -1.479 -16.169 -3.381 185 HD1 HIS 25 1HD HIS 25 -1.782 -19.354 -0.448 186 HD2 HIS 25 2HD HIS 25 2.115 -18.284 -1.436 187 HE1 HIS 25 1HE HIS 25 -0.341 -20.254 1.403 188 HE2 HIS 25 2HE HIS 25 2.027 -19.715 0.716 189 HB2 HIS 25 2HB HIS 25 -1.502 -18.519 -2.869 190 HB3 HIS 25 1HB HIS 25 0.115 -18.094 -3.408 191 H SER 26 HN SER 26 -3.250 -17.463 -2.070 192 HA SER 26 HA SER 26 -3.693 -15.855 0.352 193 HG SER 26 HG SER 26 -4.666 -15.520 -2.491 194 HB2 SER 26 2HB SER 26 -5.743 -17.231 -1.398 195 HB3 SER 26 1HB SER 26 -6.063 -16.098 -0.083 196 H ASP 27 HN ASP 27 -5.191 -16.955 1.944 197 HA ASP 27 HA ASP 27 -4.122 -19.564 2.589 198 HB2 ASP 27 2HB ASP 27 -4.328 -18.026 4.417 199 HB3 ASP 27 1HB ASP 27 -6.012 -17.694 4.023 200 H LYS 28 HN LYS 28 -5.021 -21.385 1.928 201 HA LYS 28 HA LYS 28 -7.533 -21.352 0.561 202 HB2 LYS 28 2HB LYS 28 -5.703 -22.780 -0.197 203 HB3 LYS 28 1HB LYS 28 -5.734 -23.659 1.325 204 HG2 LYS 28 2HG LYS 28 -7.879 -24.581 0.828 205 HG3 LYS 28 1HG LYS 28 -8.041 -23.564 -0.607 206 HD2 LYS 28 2HD LYS 28 -6.282 -24.719 -1.717 207 HD3 LYS 28 1HD LYS 28 -5.835 -25.580 -0.243 208 HE2 LYS 28 2HE LYS 28 -8.503 -25.868 -1.612 209 HE3 LYS 28 1HE LYS 28 -7.129 -26.931 -1.911 210 HZ1 LYS 28 3HZ LYS 28 -8.499 -26.533 0.698 211 HZ2 LYS 28 1HZ LYS 28 -7.133 -27.508 0.448 212 HZ3 LYS 28 2HZ LYS 28 -8.604 -27.905 -0.297 213 H LYS 29 HN LYS 29 -8.970 -20.678 2.119 214 HA LYS 29 HA LYS 29 -10.234 -22.810 3.579 215 HB2 LYS 29 2HB LYS 29 -8.480 -21.940 5.174 216 HB3 LYS 29 1HB LYS 29 -9.263 -20.372 5.105 217 HG2 LYS 29 2HG LYS 29 -10.690 -22.852 6.028 218 HG3 LYS 29 1HG LYS 29 -9.761 -21.822 7.115 219 HD2 LYS 29 2HD LYS 29 -11.197 -19.901 6.247 220 HD3 LYS 29 1HD LYS 29 -12.244 -21.145 5.561 221 HE2 LYS 29 2HE LYS 29 -13.111 -20.481 7.707 222 HE3 LYS 29 1HE LYS 29 -12.480 -22.124 7.826 223 HZ1 LYS 29 3HZ LYS 29 -10.821 -19.791 8.565 224 HZ2 LYS 29 1HZ LYS 29 -10.627 -21.410 9.025 225 HZ3 LYS 29 2HZ LYS 29 -11.894 -20.489 9.678 226 H SER 30 HN SER 30 -10.046 -19.262 3.459 227 HA SER 30 HA SER 30 -12.873 -19.161 2.681 228 HG SER 30 HG SER 30 -11.124 -18.004 5.193 229 HB2 SER 30 2HB SER 30 -11.048 -16.831 3.327 230 HB3 SER 30 1HB SER 30 -12.808 -16.826 3.251 231 H GLU 31 HN GLU 31 -13.125 -19.368 0.535 232 HA GLU 31 HA GLU 31 -10.913 -18.680 -1.223 233 HB2 GLU 31 2HB GLU 31 -12.225 -19.829 -2.974 234 HB3 GLU 31 1HB GLU 31 -11.925 -20.838 -1.569 235 HG2 GLU 31 2HG GLU 31 -14.496 -19.339 -1.952 236 HG3 GLU 31 1HG GLU 31 -14.232 -20.953 -2.609 237 H ARG 32 HN ARG 32 -12.890 -16.697 0.071 238 HA ARG 32 HA ARG 32 -13.403 -15.241 -2.436 239 HE ARG 32 HE ARG 32 -17.762 -17.620 -2.374 240 HB2 ARG 32 2HB ARG 32 -15.046 -15.152 0.103 241 HB3 ARG 32 1HB ARG 32 -15.295 -14.116 -1.297 242 HG2 ARG 32 2HG ARG 32 -15.721 -16.136 -2.663 243 HG3 ARG 32 1HG ARG 32 -15.583 -17.110 -1.198 244 HD2 ARG 32 2HD ARG 32 -17.436 -15.812 -0.207 245 HD3 ARG 32 1HD ARG 32 -17.609 -14.942 -1.732 246 HH11 ARG 32 1HH1 ARG 32 -19.563 -15.327 -0.443 247 HH12 ARG 32 2HH1 ARG 32 -21.048 -16.238 -0.514 248 HH21 ARG 32 1HH2 ARG 32 -19.706 -18.832 -2.456 249 HH22 ARG 32 2HH2 ARG 32 -21.123 -18.213 -1.665 250 H TRP 33 HN TRP 33 -12.644 -13.213 -2.572 251 HA TRP 33 HA TRP 33 -11.111 -12.234 -0.285 252 HD1 TRP 33 1HD TRP 33 -7.856 -12.408 -1.193 253 HE1 TRP 33 1HE TRP 33 -6.885 -14.624 -2.087 254 HE3 TRP 33 3HE TRP 33 -11.693 -13.745 -4.248 255 HZ2 TRP 33 2HZ TRP 33 -7.678 -16.678 -3.873 256 HZ3 TRP 33 3HZ TRP 33 -11.525 -15.848 -5.528 257 HH2 TRP 33 2HH TRP 33 -9.557 -17.283 -5.339 258 HB2 TRP 33 2HB TRP 33 -10.897 -11.473 -3.199 259 HB3 TRP 33 1HB TRP 33 -9.857 -10.890 -1.903 260 H PHE 34 HN PHE 34 -11.780 -10.457 0.767 261 HA PHE 34 HA PHE 34 -14.053 -8.969 -0.186 262 HD1 PHE 34 1HD PHE 34 -15.896 -8.451 2.097 263 HD2 PHE 34 2HD PHE 34 -12.492 -10.832 3.023 264 HE1 PHE 34 1HE PHE 34 -17.339 -10.037 3.303 265 HE2 PHE 34 2HE PHE 34 -13.932 -12.422 4.230 266 HZ PHE 34 HZ PHE 34 -16.355 -12.023 4.373 267 HB2 PHE 34 2HB PHE 34 -12.243 -8.576 2.207 268 HB3 PHE 34 1HB PHE 34 -13.645 -7.569 1.860 269 H ARG 35 HN ARG 35 -13.784 -7.649 -1.827 270 HA ARG 35 HA ARG 35 -12.990 -6.067 -3.234 271 HE ARG 35 HE ARG 35 -15.459 -3.750 0.094 272 HB2 ARG 35 2HB ARG 35 -11.336 -5.155 -0.865 273 HB3 ARG 35 1HB ARG 35 -11.518 -4.272 -2.370 274 HG2 ARG 35 2HG ARG 35 -13.025 -3.194 -1.032 275 HG3 ARG 35 1HG ARG 35 -14.064 -4.392 -1.807 276 HD2 ARG 35 2HD ARG 35 -13.780 -5.855 0.167 277 HD3 ARG 35 1HD ARG 35 -12.823 -4.591 0.934 278 HH11 ARG 35 1HH1 ARG 35 -13.521 -5.104 2.691 279 HH12 ARG 35 2HH1 ARG 35 -14.680 -4.714 3.930 280 HH21 ARG 35 1HH2 ARG 35 -16.972 -3.219 1.728 281 HH22 ARG 35 2HH2 ARG 35 -16.629 -3.611 3.388 282 HA PRO 36 HA PRO 36 -9.264 -8.717 -3.882 283 HB2 PRO 36 2HB PRO 36 -10.034 -9.927 -6.146 284 HB3 PRO 36 1HB PRO 36 -10.640 -10.448 -4.568 285 HG2 PRO 36 2HG PRO 36 -11.963 -8.755 -6.647 286 HG3 PRO 36 1HG PRO 36 -12.657 -10.037 -5.640 287 HD2 PRO 36 2HD PRO 36 -12.899 -7.335 -5.122 288 HD3 PRO 36 1HD PRO 36 -13.044 -8.609 -3.896 289 H ASN 37 HN ASN 37 -10.451 -6.007 -5.289 290 HA ASN 37 HA ASN 37 -8.394 -5.963 -7.403 291 HB2 ASN 37 2HB ASN 37 -10.860 -4.216 -7.132 292 HB3 ASN 37 1HB ASN 37 -9.689 -4.151 -8.444 293 HD21 ASN 37 1HD2 ASN 37 -9.406 -7.057 -8.585 294 HD22 ASN 37 2HD2 ASN 37 -10.852 -7.632 -9.337 295 H LEU 38 HN LEU 38 -8.677 -5.198 -4.336 296 HA LEU 38 HA LEU 38 -7.425 -2.548 -4.592 297 HG LEU 38 HG LEU 38 -10.112 -2.364 -4.985 298 HB2 LEU 38 2HB LEU 38 -9.573 -3.458 -2.685 299 HB3 LEU 38 1HB LEU 38 -8.615 -2.013 -2.412 300 HD11 LEU 38 1HD1 LEU 38 -11.244 -1.263 -2.419 301 HD12 LEU 38 2HD1 LEU 38 -11.756 -2.740 -3.227 302 HD13 LEU 38 3HD1 LEU 38 -12.005 -1.176 -4.002 303 HD21 LEU 38 3HD2 LEU 38 -9.255 0.030 -3.372 304 HD22 LEU 38 1HD2 LEU 38 -10.105 0.080 -4.916 305 HD23 LEU 38 2HD2 LEU 38 -8.470 -0.578 -4.830 306 H GLN 39 HN GLN 39 -5.588 -2.293 -3.551 307 HA GLN 39 HA GLN 39 -4.535 -4.502 -2.016 308 HB2 GLN 39 2HB GLN 39 -3.237 -1.838 -2.621 309 HB3 GLN 39 1HB GLN 39 -2.440 -3.291 -2.036 310 HG2 GLN 39 2HG GLN 39 -3.777 -2.986 -4.713 311 HG3 GLN 39 1HG GLN 39 -2.043 -2.895 -4.417 312 HE21 GLN 39 1HE2 GLN 39 -2.132 -5.049 -2.436 313 HE22 GLN 39 2HE2 GLN 39 -2.315 -6.510 -3.335 314 H LYS 40 HN LYS 40 -5.779 -4.498 -0.205 315 HA LYS 40 HA LYS 40 -6.352 -2.241 1.379 316 HB2 LYS 40 2HB LYS 40 -6.887 -4.007 3.136 317 HB3 LYS 40 1HB LYS 40 -7.771 -4.116 1.620 318 HG2 LYS 40 2HG LYS 40 -6.234 -5.876 0.862 319 HG3 LYS 40 1HG LYS 40 -5.381 -5.780 2.402 320 HD2 LYS 40 2HD LYS 40 -6.938 -7.654 2.381 321 HD3 LYS 40 1HD LYS 40 -7.428 -6.447 3.573 322 HE2 LYS 40 2HE LYS 40 -9.113 -5.591 2.064 323 HE3 LYS 40 1HE LYS 40 -8.569 -6.681 0.790 324 HZ1 LYS 40 3HZ LYS 40 -10.588 -7.415 2.023 325 HZ2 LYS 40 1HZ LYS 40 -9.624 -7.626 3.397 326 HZ3 LYS 40 2HZ LYS 40 -9.332 -8.548 2.008 327 H VAL 41 HN VAL 41 -4.948 -1.059 2.455 328 HA VAL 41 HA VAL 41 -2.765 -2.404 3.885 329 HB VAL 41 HB VAL 41 -1.273 -0.486 3.392 330 HG11 VAL 41 1HG1 VAL 41 -1.037 -2.513 2.099 331 HG12 VAL 41 2HG1 VAL 41 -0.761 -1.115 1.066 332 HG13 VAL 41 3HG1 VAL 41 -2.291 -1.985 0.978 333 HG21 VAL 41 3HG2 VAL 41 -3.418 0.325 1.423 334 HG22 VAL 41 1HG2 VAL 41 -1.812 1.047 1.561 335 HG23 VAL 41 2HG2 VAL 41 -2.965 1.199 2.888 336 H ARG 42 HN ARG 42 -2.043 -1.338 5.767 337 HA ARG 42 HA ARG 42 -4.035 0.408 6.976 338 HE ARG 42 HE ARG 42 0.943 -2.394 8.743 339 HB2 ARG 42 2HB ARG 42 -2.761 -0.012 9.074 340 HB3 ARG 42 1HB ARG 42 -3.363 -1.479 8.319 341 HG2 ARG 42 2HG ARG 42 -1.133 -1.886 7.370 342 HG3 ARG 42 1HG ARG 42 -0.541 -0.442 8.188 343 HD2 ARG 42 2HD ARG 42 -1.223 -1.461 10.351 344 HD3 ARG 42 1HD ARG 42 -1.636 -2.938 9.474 345 HH11 ARG 42 1HH1 ARG 42 -0.712 -2.907 11.777 346 HH12 ARG 42 2HH1 ARG 42 0.691 -3.512 12.603 347 HH21 ARG 42 1HH2 ARG 42 2.797 -3.159 9.801 348 HH22 ARG 42 2HH2 ARG 42 2.708 -3.659 11.467 349 H VAL 43 HN VAL 43 -3.752 2.531 7.172 350 HA VAL 43 HA VAL 43 -1.076 3.605 6.559 351 HB VAL 43 HB VAL 43 -2.153 5.570 5.604 352 HG11 VAL 43 1HG1 VAL 43 -3.180 2.983 4.443 353 HG12 VAL 43 2HG1 VAL 43 -1.622 3.739 4.103 354 HG13 VAL 43 3HG1 VAL 43 -3.118 4.526 3.589 355 HG21 VAL 43 3HG2 VAL 43 -4.541 5.723 5.284 356 HG22 VAL 43 1HG2 VAL 43 -4.196 5.511 6.999 357 HG23 VAL 43 2HG2 VAL 43 -4.777 4.149 6.042 358 H VAL 44 HN VAL 44 -0.459 5.554 7.566 359 HA VAL 44 HA VAL 44 -1.547 5.886 10.250 360 HB VAL 44 HB VAL 44 0.820 7.261 8.962 361 HG11 VAL 44 1HG1 VAL 44 1.450 7.846 11.254 362 HG12 VAL 44 2HG1 VAL 44 -0.033 7.103 11.851 363 HG13 VAL 44 3HG1 VAL 44 -0.115 8.531 10.820 364 HG21 VAL 44 3HG2 VAL 44 0.758 4.899 10.837 365 HG22 VAL 44 1HG2 VAL 44 2.201 5.714 10.235 366 HG23 VAL 44 2HG2 VAL 44 1.150 4.844 9.117 367 H LEU 45 HN LEU 45 -3.152 7.258 10.570 368 HA LEU 45 HA LEU 45 -3.685 9.439 8.748 369 HG LEU 45 HG LEU 45 -5.465 7.029 9.511 370 HB2 LEU 45 2HB LEU 45 -4.985 8.586 11.338 371 HB3 LEU 45 1HB LEU 45 -5.545 9.923 10.356 372 HD11 LEU 45 1HD1 LEU 45 -7.900 7.180 9.559 373 HD12 LEU 45 2HD1 LEU 45 -7.788 8.833 10.167 374 HD13 LEU 45 3HD1 LEU 45 -7.208 7.488 11.154 375 HD21 LEU 45 3HD2 LEU 45 -6.658 7.776 7.518 376 HD22 LEU 45 1HD2 LEU 45 -5.069 8.531 7.629 377 HD23 LEU 45 2HD2 LEU 45 -6.515 9.450 8.053 378 HA PRO 46 HA PRO 46 -1.390 12.675 10.588 379 HB2 PRO 46 2HB PRO 46 -3.340 14.653 10.822 380 HB3 PRO 46 1HB PRO 46 -2.369 14.324 9.384 381 HG2 PRO 46 2HG PRO 46 -5.149 13.449 10.038 382 HG3 PRO 46 1HG PRO 46 -4.467 13.961 8.482 383 HD2 PRO 46 2HD PRO 46 -4.900 11.377 9.019 384 HD3 PRO 46 1HD PRO 46 -3.470 11.901 8.100 385 H ASP 47 HN ASP 47 -4.479 11.913 12.077 386 HA ASP 47 HA ASP 47 -4.050 13.217 14.554 387 HB2 ASP 47 2HB ASP 47 -5.701 10.734 14.032 388 HB3 ASP 47 1HB ASP 47 -5.875 11.844 15.386 389 H GLY 48 HN GLY 48 -2.918 10.237 13.213 390 HA2 GLY 48 2HA GLY 48 -1.067 9.077 14.274 391 HA3 GLY 48 1HA GLY 48 -1.777 9.489 15.831 392 H THR 49 HN THR 49 -4.188 8.704 13.699 393 HA THR 49 HA THR 49 -4.673 6.174 14.978 394 HB THR 49 HB THR 49 -6.292 7.176 12.674 395 HG1 THR 49 1HG THR 49 -6.976 8.099 15.221 396 HG21 THR 49 3HG2 THR 49 -6.875 5.038 13.700 397 HG22 THR 49 1HG2 THR 49 -8.139 6.238 13.982 398 HG23 THR 49 2HG2 THR 49 -7.009 5.824 15.273 399 H ILE 50 HN ILE 50 -4.874 4.218 13.909 400 HA ILE 50 HA ILE 50 -3.393 4.000 11.379 401 HB ILE 50 HB ILE 50 -4.039 1.803 13.360 402 HG12 ILE 50 2HG1 ILE 50 -1.399 3.214 12.901 403 HG13 ILE 50 1HG1 ILE 50 -2.474 3.524 14.260 404 HG21 ILE 50 1HG2 ILE 50 -2.250 1.854 10.932 405 HG22 ILE 50 2HG2 ILE 50 -3.760 0.956 11.118 406 HG23 ILE 50 3HG2 ILE 50 -2.351 0.523 12.088 407 HD11 ILE 50 3HD1 ILE 50 -2.208 1.196 14.972 408 HD12 ILE 50 1HD1 ILE 50 -0.681 2.078 14.932 409 HD13 ILE 50 2HD1 ILE 50 -1.074 0.938 13.646 410 H LYS 51 HN LYS 51 -4.749 3.961 9.684 411 HA LYS 51 HA LYS 51 -7.371 2.682 10.077 412 HB2 LYS 51 2HB LYS 51 -7.451 5.118 9.676 413 HB3 LYS 51 1HB LYS 51 -6.652 4.878 8.129 414 HG2 LYS 51 2HG LYS 51 -8.546 3.526 7.375 415 HG3 LYS 51 1HG LYS 51 -9.340 3.783 8.928 416 HD2 LYS 51 2HD LYS 51 -9.221 6.251 8.458 417 HD3 LYS 51 1HD LYS 51 -8.689 5.835 6.824 418 HE2 LYS 51 2HE LYS 51 -11.063 6.208 6.790 419 HE3 LYS 51 1HE LYS 51 -10.757 4.487 6.553 420 HZ1 LYS 51 3HZ LYS 51 -11.761 5.855 8.982 421 HZ2 LYS 51 1HZ LYS 51 -11.116 4.286 9.048 422 HZ3 LYS 51 2HZ LYS 51 -12.487 4.596 8.107 423 H ARG 52 HN ARG 52 -7.968 1.081 8.784 424 HA ARG 52 HA ARG 52 -6.113 0.198 6.706 425 HE ARG 52 HE ARG 52 -6.961 -2.664 11.080 426 HB2 ARG 52 2HB ARG 52 -8.681 -1.124 7.606 427 HB3 ARG 52 1HB ARG 52 -7.391 -1.849 6.657 428 HG2 ARG 52 2HG ARG 52 -5.888 -1.666 8.588 429 HG3 ARG 52 1HG ARG 52 -7.215 -0.985 9.535 430 HD2 ARG 52 2HD ARG 52 -8.501 -3.095 8.905 431 HD3 ARG 52 1HD ARG 52 -6.946 -3.752 8.402 432 HH11 ARG 52 1HH1 ARG 52 -7.504 -5.537 9.120 433 HH12 ARG 52 2HH1 ARG 52 -7.314 -6.624 10.463 434 HH21 ARG 52 1HH2 ARG 52 -6.688 -4.115 12.821 435 HH22 ARG 52 2HH2 ARG 52 -6.826 -5.832 12.541 436 H MET 53 HN MET 53 -6.433 0.744 4.636 437 HA MET 53 HA MET 53 -9.155 1.519 3.841 438 HB2 MET 53 2HB MET 53 -6.615 2.975 3.092 439 HB3 MET 53 1HB MET 53 -8.208 3.314 2.426 440 HG2 MET 53 2HG MET 53 -8.932 3.740 4.833 441 HG3 MET 53 1HG MET 53 -7.210 3.767 5.214 442 HE1 MET 53 3HE MET 53 -6.271 5.088 2.234 443 HE2 MET 53 1HE MET 53 -5.505 5.320 3.805 444 HE3 MET 53 2HE MET 53 -6.007 6.717 2.852 445 H ARG 54 HN ARG 54 -9.643 1.373 1.648 446 HA ARG 54 HA ARG 54 -8.254 -0.758 0.247 447 HE ARG 54 HE ARG 54 -12.334 0.855 1.434 448 HB2 ARG 54 2HB ARG 54 -10.741 0.834 -0.395 449 HB3 ARG 54 1HB ARG 54 -10.134 -0.500 -1.360 450 HG2 ARG 54 2HG ARG 54 -10.696 -2.083 0.234 451 HG3 ARG 54 1HG ARG 54 -10.732 -0.894 1.536 452 HD2 ARG 54 2HD ARG 54 -12.702 -0.922 -0.740 453 HD3 ARG 54 1HD ARG 54 -12.976 -1.758 0.788 454 HH11 ARG 54 1HH1 ARG 54 -14.872 -0.772 -0.360 455 HH12 ARG 54 2HH1 ARG 54 -16.071 0.435 -0.002 456 HH21 ARG 54 1HH2 ARG 54 -13.924 2.418 1.942 457 HH22 ARG 54 2HH2 ARG 54 -15.537 2.232 1.318 458 H VAL 55 HN VAL 55 -6.406 -0.049 -0.679 459 HA VAL 55 HA VAL 55 -6.498 2.490 -2.173 460 HB VAL 55 HB VAL 55 -4.031 1.213 -0.985 461 HG11 VAL 55 1HG1 VAL 55 -3.601 2.690 -2.875 462 HG12 VAL 55 2HG1 VAL 55 -3.020 3.411 -1.372 463 HG13 VAL 55 3HG1 VAL 55 -4.528 3.975 -2.095 464 HG21 VAL 55 3HG2 VAL 55 -5.558 1.850 0.812 465 HG22 VAL 55 1HG2 VAL 55 -5.701 3.470 0.126 466 HG23 VAL 55 2HG2 VAL 55 -4.153 2.917 0.771 467 H CYS 56 HN CYS 56 -5.590 2.557 -4.224 468 HA CYS 56 HA CYS 56 -5.273 -0.031 -5.512 469 HG CYS 56 HG CYS 56 -5.768 3.968 -7.893 470 HB2 CYS 56 2HB CYS 56 -5.285 1.280 -7.609 471 HB3 CYS 56 1HB CYS 56 -6.700 1.612 -6.614 472 H THR 57 HN THR 57 -3.444 -0.558 -6.785 473 HA THR 57 HA THR 57 -0.945 -0.084 -5.676 474 HB THR 57 HB THR 57 -1.124 -0.707 -8.589 475 HG1 THR 57 1HG THR 57 -2.367 -2.414 -8.288 476 HG21 THR 57 3HG2 THR 57 0.305 -2.002 -6.259 477 HG22 THR 57 1HG2 THR 57 1.020 -0.864 -7.401 478 HG23 THR 57 2HG2 THR 57 0.486 -2.451 -7.954 479 H SER 58 HN SER 58 -2.703 1.781 -8.028 480 HA SER 58 HA SER 58 -0.568 3.229 -9.161 481 HG SER 58 HG SER 58 -1.317 5.274 -9.966 482 HB2 SER 58 2HB SER 58 -2.930 3.108 -10.043 483 HB3 SER 58 1HB SER 58 -3.408 4.198 -8.746 484 H CYS 59 HN CYS 59 -2.769 3.992 -6.470 485 HA CYS 59 HA CYS 59 -1.467 6.365 -5.678 486 HG CYS 59 HG CYS 59 -4.080 7.600 -5.317 487 HB2 CYS 59 2HB CYS 59 -3.289 4.473 -4.188 488 HB3 CYS 59 1HB CYS 59 -2.744 6.011 -3.540 489 H LEU 60 HN LEU 60 -1.012 2.989 -4.874 490 HA LEU 60 HA LEU 60 0.687 3.297 -2.665 491 HG LEU 60 HG LEU 60 -1.499 1.191 -3.496 492 HB2 LEU 60 2HB LEU 60 0.579 1.128 -4.758 493 HB3 LEU 60 1HB LEU 60 1.506 1.017 -3.280 494 HD11 LEU 60 1HD1 LEU 60 -1.424 -1.067 -2.568 495 HD12 LEU 60 2HD1 LEU 60 0.340 -1.024 -2.597 496 HD13 LEU 60 3HD1 LEU 60 -0.572 -0.973 -4.108 497 HD21 LEU 60 3HD2 LEU 60 -0.724 2.393 -1.526 498 HD22 LEU 60 1HD2 LEU 60 0.257 1.010 -1.050 499 HD23 LEU 60 2HD2 LEU 60 -1.500 0.879 -1.063 500 H LYS 61 HN LYS 61 1.468 2.852 -6.102 501 HA LYS 61 HA LYS 61 4.290 3.081 -5.640 502 HB2 LYS 61 2HB LYS 61 3.442 1.628 -7.395 503 HB3 LYS 61 1HB LYS 61 2.689 2.996 -8.201 504 HG2 LYS 61 2HG LYS 61 4.949 3.972 -8.540 505 HG3 LYS 61 1HG LYS 61 5.638 2.497 -7.861 506 HD2 LYS 61 2HD LYS 61 4.683 1.177 -9.643 507 HD3 LYS 61 1HD LYS 61 3.840 2.590 -10.284 508 HE2 LYS 61 2HE LYS 61 6.044 3.663 -10.676 509 HE3 LYS 61 1HE LYS 61 6.830 2.177 -10.148 510 HZ1 LYS 61 3HZ LYS 61 6.607 2.446 -12.596 511 HZ2 LYS 61 1HZ LYS 61 4.927 2.307 -12.423 512 HZ3 LYS 61 2HZ LYS 61 5.939 1.008 -11.998 513 H SER 62 HN SER 62 1.909 5.153 -7.346 514 HA SER 62 HA SER 62 4.023 7.191 -7.551 515 HG SER 62 HG SER 62 4.247 6.213 -9.657 516 HB2 SER 62 2HB SER 62 1.517 6.848 -9.214 517 HB3 SER 62 1HB SER 62 2.755 8.077 -9.465 518 H GLY 63 HN GLY 63 1.541 6.543 -5.570 519 HA2 GLY 63 2HA GLY 63 0.491 9.278 -5.525 520 HA3 GLY 63 1HA GLY 63 -0.222 7.894 -4.708 521 H LYS 64 HN LYS 64 -0.310 8.840 -2.705 522 HA LYS 64 HA LYS 64 2.224 9.080 -1.317 523 HB2 LYS 64 2HB LYS 64 1.095 11.236 -0.201 524 HB3 LYS 64 1HB LYS 64 2.163 11.331 -1.590 525 HG2 LYS 64 2HG LYS 64 0.267 12.757 -1.948 526 HG3 LYS 64 1HG LYS 64 0.184 11.403 -3.070 527 HD2 LYS 64 2HD LYS 64 -1.505 10.329 -1.742 528 HD3 LYS 64 1HD LYS 64 -1.330 11.530 -0.461 529 HE2 LYS 64 2HE LYS 64 -2.229 12.158 -3.270 530 HE3 LYS 64 1HE LYS 64 -3.329 11.857 -1.924 531 HZ1 LYS 64 3HZ LYS 64 -3.019 14.213 -2.230 532 HZ2 LYS 64 1HZ LYS 64 -1.334 14.060 -2.103 533 HZ3 LYS 64 2HZ LYS 64 -2.319 13.749 -0.759 534 H VAL 65 HN VAL 65 1.421 7.068 -0.442 535 HA VAL 65 HA VAL 65 -0.743 7.456 1.507 536 HB VAL 65 HB VAL 65 -0.799 4.954 1.653 537 HG11 VAL 65 1HG1 VAL 65 -1.266 6.108 -1.096 538 HG12 VAL 65 2HG1 VAL 65 -2.381 6.220 0.267 539 HG13 VAL 65 3HG1 VAL 65 -2.004 4.646 -0.440 540 HG21 VAL 65 3HG2 VAL 65 0.254 3.640 -0.106 541 HG22 VAL 65 1HG2 VAL 65 1.473 4.505 0.829 542 HG23 VAL 65 2HG2 VAL 65 1.002 5.093 -0.767 543 H LYS 66 HN LYS 66 -0.247 7.628 3.573 544 HA LYS 66 HA LYS 66 2.446 7.229 4.482 545 HB2 LYS 66 2HB LYS 66 -0.075 7.890 6.019 546 HB3 LYS 66 1HB LYS 66 1.545 7.885 6.700 547 HG2 LYS 66 2HG LYS 66 2.201 9.670 5.176 548 HG3 LYS 66 1HG LYS 66 0.579 9.676 4.480 549 HD2 LYS 66 2HD LYS 66 -0.349 10.295 6.664 550 HD3 LYS 66 1HD LYS 66 1.275 10.287 7.356 551 HE2 LYS 66 2HE LYS 66 0.607 12.557 6.858 552 HE3 LYS 66 1HE LYS 66 1.922 12.077 5.787 553 HZ1 LYS 66 3HZ LYS 66 -0.967 12.122 5.078 554 HZ2 LYS 66 1HZ LYS 66 0.296 11.655 4.042 555 HZ3 LYS 66 2HZ LYS 66 0.192 13.258 4.587 556 H LYS 67 HN LYS 67 2.722 5.022 4.017 557 HA LYS 67 HA LYS 67 0.990 3.007 5.003 558 HB2 LYS 67 2HB LYS 67 3.690 3.093 3.739 559 HB3 LYS 67 1HB LYS 67 3.188 1.603 4.526 560 HG2 LYS 67 2HG LYS 67 1.236 1.499 3.050 561 HG3 LYS 67 1HG LYS 67 1.758 2.998 2.271 562 HD2 LYS 67 2HD LYS 67 3.848 1.921 1.588 563 HD3 LYS 67 1HD LYS 67 3.344 0.431 2.381 564 HE2 LYS 67 2HE LYS 67 1.485 0.205 0.839 565 HE3 LYS 67 1HE LYS 67 1.900 1.743 0.080 566 HZ1 LYS 67 3HZ LYS 67 2.733 -0.116 -1.224 567 HZ2 LYS 67 1HZ LYS 67 3.605 -0.692 0.108 568 HZ3 LYS 67 2HZ LYS 67 4.021 0.788 -0.599 569 H TYR 68 HN TYR 68 0.840 2.142 6.954 570 HA TYR 68 HA TYR 68 2.986 2.566 8.890 571 HD1 TYR 68 2HD TYR 68 2.628 3.429 11.249 572 HD2 TYR 68 1HD TYR 68 0.401 -0.196 11.112 573 HE1 TYR 68 2HE TYR 68 3.356 2.900 13.536 574 HE2 TYR 68 1HE TYR 68 1.126 -0.735 13.399 575 HH TYR 68 HH TYR 68 3.106 -0.145 14.881 576 HB2 TYR 68 2HB TYR 68 0.615 2.961 9.587 577 HB3 TYR 68 1HB TYR 68 0.275 1.259 9.305 578 H VAL 69 HN VAL 69 3.983 1.082 7.006 579 HA VAL 69 HA VAL 69 4.974 -0.868 6.439 580 HB VAL 69 HB VAL 69 4.245 -1.775 9.234 581 HG11 VAL 69 1HG1 VAL 69 6.140 -3.330 8.959 582 HG12 VAL 69 2HG1 VAL 69 6.315 -2.796 7.284 583 HG13 VAL 69 3HG1 VAL 69 4.851 -3.638 7.795 584 HG21 VAL 69 3HG2 VAL 69 6.761 -0.456 8.215 585 HG22 VAL 69 1HG2 VAL 69 6.493 -1.054 9.853 586 HG23 VAL 69 2HG2 VAL 69 5.541 0.299 9.242 587 H GLY 70 HN GLY 70 3.524 -1.415 4.855 588 HA2 GLY 70 2HA GLY 70 1.518 -3.436 5.610 589 HA3 GLY 70 1HA GLY 70 1.444 -2.455 4.150 590 H GLN 71 HN GLN 71 1.387 -5.368 4.321 591 HA GLN 71 HA GLN 71 4.036 -6.202 3.482 592 HB2 GLN 71 2HB GLN 71 3.067 -8.471 3.378 593 HB3 GLN 71 1HB GLN 71 2.846 -7.700 4.942 594 HG2 GLN 71 2HG GLN 71 0.526 -7.138 4.283 595 HG3 GLN 71 1HG GLN 71 0.770 -8.057 2.792 596 HE21 GLN 71 1HE2 GLN 71 1.039 -10.302 2.913 597 HE22 GLN 71 2HE2 GLN 71 0.572 -11.213 4.314 598 H VAL 72 HN VAL 72 1.796 -4.555 1.965 599 HA VAL 72 HA VAL 72 2.041 -5.931 -0.600 600 HB VAL 72 HB VAL 72 0.622 -3.337 0.048 601 HG11 VAL 72 1HG1 VAL 72 0.556 -5.063 -2.420 602 HG12 VAL 72 2HG1 VAL 72 1.289 -3.465 -2.278 603 HG13 VAL 72 3HG1 VAL 72 -0.460 -3.650 -2.134 604 HG21 VAL 72 3HG2 VAL 72 -0.418 -5.226 1.195 605 HG22 VAL 72 1HG2 VAL 72 -0.510 -6.109 -0.333 606 HG23 VAL 72 2HG2 VAL 72 -1.447 -4.631 -0.109 607 H SER 73 HN SER 73 4.016 -5.675 -1.412 608 HA SER 73 HA SER 73 5.320 -3.055 -1.222 609 HG SER 73 HG SER 73 5.843 -6.154 -2.645 610 HB2 SER 73 2HB SER 73 7.388 -4.350 -1.806 611 HB3 SER 73 1HB SER 73 6.632 -4.861 -0.297 612 H GLU 74 HN GLU 74 5.694 -1.859 -2.994 613 HA GLU 74 HA GLU 74 4.716 -2.722 -5.549 614 HB2 GLU 74 2HB GLU 74 6.243 -0.235 -4.744 615 HB3 GLU 74 1HB GLU 74 5.600 -0.526 -6.353 616 HG2 GLU 74 2HG GLU 74 4.056 0.884 -5.311 617 HG3 GLU 74 1HG GLU 74 3.327 -0.718 -5.263 618 H VAL 75 HN VAL 75 6.306 -2.047 -7.473 619 HA VAL 75 HA VAL 75 8.962 -3.167 -6.964 620 HB VAL 75 HB VAL 75 7.560 -5.009 -7.817 621 HG11 VAL 75 1HG1 VAL 75 5.928 -3.765 -9.083 622 HG12 VAL 75 2HG1 VAL 75 6.719 -4.948 -10.126 623 HG13 VAL 75 3HG1 VAL 75 7.167 -3.244 -10.225 624 HG21 VAL 75 3HG2 VAL 75 9.933 -4.990 -8.364 625 HG22 VAL 75 1HG2 VAL 75 9.602 -4.045 -9.817 626 HG23 VAL 75 2HG2 VAL 75 8.991 -5.694 -9.679 627 H GLY 76 HN GLY 76 10.581 -2.340 -8.263 628 HA2 GLY 76 2HA GLY 76 10.078 0.202 -9.478 629 HA3 GLY 76 1HA GLY 76 11.614 -0.645 -9.436 630 H SER 77 HN SER 77 8.471 -0.653 -11.024 631 HA SER 77 HA SER 77 9.758 -0.985 -13.598 632 HG SER 77 HG SER 77 10.325 -2.982 -12.564 633 HB2 SER 77 2HB SER 77 7.649 -2.923 -12.592 634 HB3 SER 77 1HB SER 77 8.250 -2.852 -14.250 Start of MODEL 7 1 HA GLN 1 HA GLN 1 -14.860 10.466 -19.365 2 H1 GLN 1 1HT GLN 1 -13.238 11.413 -17.850 3 H2 GLN 1 2HT GLN 1 -12.597 11.191 -19.403 4 H3 GLN 1 3HT GLN 1 -12.184 10.116 -18.152 5 HB2 GLN 1 2HB GLN 1 -12.784 8.278 -19.511 6 HB3 GLN 1 1HB GLN 1 -14.468 8.014 -19.950 7 HG2 GLN 1 2HG GLN 1 -12.632 10.035 -21.215 8 HG3 GLN 1 1HG GLN 1 -13.061 8.467 -21.898 9 HE21 GLN 1 1HE2 GLN 1 -15.806 8.530 -21.062 10 HE22 GLN 1 2HE2 GLN 1 -16.610 9.708 -22.048 11 H GLY 2 HN GLY 2 -16.553 9.527 -18.319 12 HA2 GLY 2 2HA GLY 2 -16.047 8.757 -15.552 13 HA3 GLY 2 1HA GLY 2 -17.607 9.150 -16.257 14 H HIS 3 HN HIS 3 -18.808 7.427 -15.799 15 HA HIS 3 HA HIS 3 -19.657 5.319 -15.869 16 HD1 HIS 3 1HD HIS 3 -17.962 6.332 -19.765 17 HD2 HIS 3 2HD HIS 3 -21.377 4.600 -18.144 18 HE1 HIS 3 1HE HIS 3 -19.848 7.006 -21.281 19 HE2 HIS 3 2HE HIS 3 -21.853 5.752 -20.414 20 HB2 HIS 3 2HB HIS 3 -17.443 4.820 -17.872 21 HB3 HIS 3 1HB HIS 3 -18.681 3.640 -17.458 22 H MET 4 HN MET 4 -17.285 6.242 -14.212 23 HA MET 4 HA MET 4 -16.162 3.623 -13.480 24 HB2 MET 4 2HB MET 4 -14.610 5.472 -14.195 25 HB3 MET 4 1HB MET 4 -15.125 6.379 -12.782 26 HG2 MET 4 2HG MET 4 -14.260 4.580 -11.341 27 HG3 MET 4 1HG MET 4 -13.695 3.728 -12.776 28 HE1 MET 4 3HE MET 4 -12.061 7.809 -11.369 29 HE2 MET 4 1HE MET 4 -13.256 6.873 -10.474 30 HE3 MET 4 2HE MET 4 -13.688 7.598 -12.023 31 H ILE 5 HN ILE 5 -18.633 5.521 -12.615 32 HA ILE 5 HA ILE 5 -18.201 5.741 -9.787 33 HB ILE 5 HB ILE 5 -20.776 6.065 -11.345 34 HG12 ILE 5 2HG1 ILE 5 -18.779 8.120 -10.359 35 HG13 ILE 5 1HG1 ILE 5 -19.030 7.655 -12.035 36 HG21 ILE 5 1HG2 ILE 5 -21.579 7.267 -9.372 37 HG22 ILE 5 2HG2 ILE 5 -20.065 6.906 -8.539 38 HG23 ILE 5 3HG2 ILE 5 -21.161 5.597 -8.982 39 HD11 ILE 5 3HD1 ILE 5 -20.096 9.776 -11.531 40 HD12 ILE 5 1HD1 ILE 5 -21.053 9.002 -10.268 41 HD13 ILE 5 2HD1 ILE 5 -21.290 8.548 -11.957 42 H MET 6 HN MET 6 -17.779 3.742 -9.022 43 HA MET 6 HA MET 6 -20.103 2.099 -8.464 44 HB2 MET 6 2HB MET 6 -19.097 1.152 -10.557 45 HB3 MET 6 1HB MET 6 -17.600 0.899 -9.671 46 HG2 MET 6 2HG MET 6 -18.842 -1.164 -9.820 47 HG3 MET 6 1HG MET 6 -18.768 -0.624 -8.144 48 HE1 MET 6 3HE MET 6 -22.284 -2.367 -8.379 49 HE2 MET 6 1HE MET 6 -20.740 -2.321 -7.524 50 HE3 MET 6 2HE MET 6 -20.802 -2.851 -9.207 51 H ALA 7 HN ALA 7 -19.822 0.917 -6.520 52 HA ALA 7 HA ALA 7 -17.949 2.150 -4.748 53 HB1 ALA 7 1HB ALA 7 -20.216 1.587 -4.027 54 HB2 ALA 7 2HB ALA 7 -18.998 0.834 -3.001 55 HB3 ALA 7 3HB ALA 7 -19.846 -0.127 -4.211 56 H LYS 8 HN LYS 8 -16.091 1.326 -6.106 57 HA LYS 8 HA LYS 8 -14.721 -0.565 -4.490 58 HB2 LYS 8 2HB LYS 8 -14.190 -2.235 -6.210 59 HB3 LYS 8 1HB LYS 8 -15.908 -2.198 -5.855 60 HG2 LYS 8 2HG LYS 8 -16.281 -0.885 -7.903 61 HG3 LYS 8 1HG LYS 8 -14.556 -1.006 -8.266 62 HD2 LYS 8 2HD LYS 8 -14.756 -3.464 -8.269 63 HD3 LYS 8 1HD LYS 8 -16.488 -3.308 -7.977 64 HE2 LYS 8 2HE LYS 8 -16.150 -3.704 -10.313 65 HE3 LYS 8 1HE LYS 8 -16.665 -2.029 -10.105 66 HZ1 LYS 8 3HZ LYS 8 -14.398 -1.309 -10.374 67 HZ2 LYS 8 1HZ LYS 8 -14.822 -2.282 -11.692 68 HZ3 LYS 8 2HZ LYS 8 -13.840 -2.904 -10.456 69 H ARG 9 HN ARG 9 -14.456 2.117 -5.261 70 HA ARG 9 HA ARG 9 -12.030 2.103 -6.919 71 HE ARG 9 HE ARG 9 -15.980 5.496 -4.004 72 HB2 ARG 9 2HB ARG 9 -12.385 4.671 -6.753 73 HB3 ARG 9 1HB ARG 9 -13.441 3.737 -7.801 74 HG2 ARG 9 2HG ARG 9 -14.785 5.308 -6.605 75 HG3 ARG 9 1HG ARG 9 -15.129 3.701 -5.967 76 HD2 ARG 9 2HD ARG 9 -13.273 4.325 -4.232 77 HD3 ARG 9 1HD ARG 9 -13.667 5.976 -4.706 78 HH11 ARG 9 1HH1 ARG 9 -13.389 3.452 -2.839 79 HH12 ARG 9 2HH1 ARG 9 -14.228 2.959 -1.396 80 HH21 ARG 9 1HH2 ARG 9 -17.120 4.839 -2.135 81 HH22 ARG 9 2HH2 ARG 9 -16.363 3.767 -0.998 82 H CYS 10 HN CYS 10 -10.403 3.922 -6.100 83 HA CYS 10 HA CYS 10 -9.396 3.140 -3.599 84 HG CYS 10 HG CYS 10 -6.138 5.379 -3.952 85 HB2 CYS 10 2HB CYS 10 -8.074 4.307 -5.389 86 HB3 CYS 10 1HB CYS 10 -8.909 5.798 -4.966 87 H GLU 11 HN GLU 11 -10.030 3.607 -1.589 88 HA GLU 11 HA GLU 11 -12.287 5.156 -1.001 89 HB2 GLU 11 2HB GLU 11 -10.031 4.451 0.880 90 HB3 GLU 11 1HB GLU 11 -11.686 4.830 1.309 91 HG2 GLU 11 2HG GLU 11 -11.212 2.585 -0.513 92 HG3 GLU 11 1HG GLU 11 -10.832 2.366 1.181 93 H VAL 12 HN VAL 12 -9.016 6.066 -1.485 94 HA VAL 12 HA VAL 12 -9.336 8.618 -0.085 95 HB VAL 12 HB VAL 12 -6.871 7.478 -1.397 96 HG11 VAL 12 1HG1 VAL 12 -7.208 9.748 0.570 97 HG12 VAL 12 2HG1 VAL 12 -6.835 9.910 -1.147 98 HG13 VAL 12 3HG1 VAL 12 -5.675 9.147 -0.059 99 HG21 VAL 12 3HG2 VAL 12 -7.595 6.027 0.413 100 HG22 VAL 12 1HG2 VAL 12 -7.718 7.408 1.503 101 HG23 VAL 12 2HG2 VAL 12 -6.142 6.906 0.887 102 H CYS 13 HN CYS 13 -7.792 7.622 -3.135 103 HA CYS 13 HA CYS 13 -7.993 10.303 -4.139 104 HG CYS 13 HG CYS 13 -7.319 10.847 -6.682 105 HB2 CYS 13 2HB CYS 13 -6.025 8.824 -4.510 106 HB3 CYS 13 1HB CYS 13 -7.023 7.818 -5.552 107 H GLY 14 HN GLY 14 -9.937 7.488 -4.371 108 HA2 GLY 14 2HA GLY 14 -12.019 7.259 -5.345 109 HA3 GLY 14 1HA GLY 14 -11.856 8.884 -5.987 110 H LYS 15 HN LYS 15 -9.142 7.229 -6.892 111 HA LYS 15 HA LYS 15 -10.092 6.973 -9.595 112 HB2 LYS 15 2HB LYS 15 -7.392 6.391 -8.367 113 HB3 LYS 15 1HB LYS 15 -7.750 6.242 -10.083 114 HG2 LYS 15 2HG LYS 15 -8.309 8.627 -10.165 115 HG3 LYS 15 1HG LYS 15 -7.910 8.764 -8.452 116 HD2 LYS 15 2HD LYS 15 -6.017 9.523 -9.679 117 HD3 LYS 15 1HD LYS 15 -5.606 7.939 -9.022 118 HE2 LYS 15 2HE LYS 15 -6.063 6.903 -11.172 119 HE3 LYS 15 1HE LYS 15 -6.573 8.455 -11.834 120 HZ1 LYS 15 3HZ LYS 15 -3.837 7.726 -10.924 121 HZ2 LYS 15 1HZ LYS 15 -4.302 9.285 -11.404 122 HZ3 LYS 15 2HZ LYS 15 -4.339 8.005 -12.517 123 H ALA 16 HN ALA 16 -9.542 4.982 -10.867 124 HA ALA 16 HA ALA 16 -10.999 2.816 -9.710 125 HB1 ALA 16 1HB ALA 16 -11.212 3.408 -12.070 126 HB2 ALA 16 2HB ALA 16 -10.688 1.733 -11.876 127 HB3 ALA 16 3HB ALA 16 -9.524 2.975 -12.334 128 HA PRO 17 HA PRO 17 -7.569 0.362 -8.288 129 HB2 PRO 17 2HB PRO 17 -8.792 -2.003 -8.021 130 HB3 PRO 17 1HB PRO 17 -9.194 -0.639 -6.972 131 HG2 PRO 17 2HG PRO 17 -10.653 -1.664 -9.379 132 HG3 PRO 17 1HG PRO 17 -11.301 -1.142 -7.814 133 HD2 PRO 17 2HD PRO 17 -11.259 0.439 -10.051 134 HD3 PRO 17 1HD PRO 17 -11.247 1.069 -8.391 135 H ARG 18 HN ARG 18 -5.936 -0.299 -9.522 136 HA ARG 18 HA ARG 18 -6.434 -2.233 -11.643 137 HE ARG 18 HE ARG 18 -4.132 0.664 -14.420 138 HB2 ARG 18 2HB ARG 18 -4.884 -0.910 -13.147 139 HB3 ARG 18 1HB ARG 18 -6.475 -0.210 -12.883 140 HG2 ARG 18 2HG ARG 18 -5.362 1.173 -11.044 141 HG3 ARG 18 1HG ARG 18 -3.835 0.665 -11.766 142 HD2 ARG 18 2HD ARG 18 -6.063 2.108 -13.190 143 HD3 ARG 18 1HD ARG 18 -4.576 2.845 -12.599 144 HH11 ARG 18 1HH1 ARG 18 -4.746 4.089 -14.130 145 HH12 ARG 18 2HH1 ARG 18 -4.074 4.483 -15.681 146 HH21 ARG 18 1HH2 ARG 18 -3.244 1.152 -16.457 147 HH22 ARG 18 2HH2 ARG 18 -3.219 2.799 -17.010 148 H SER 19 HN SER 19 -5.412 -3.852 -10.589 149 HA SER 19 HA SER 19 -2.796 -3.462 -9.428 150 HG SER 19 HG SER 19 -5.573 -6.229 -9.256 151 HB2 SER 19 2HB SER 19 -2.983 -5.963 -9.010 152 HB3 SER 19 1HB SER 19 -4.229 -4.965 -8.259 153 H GLY 20 HN GLY 20 -4.154 -5.243 -12.187 154 HA2 GLY 20 2HA GLY 20 -3.134 -5.365 -14.305 155 HA3 GLY 20 1HA GLY 20 -1.609 -4.885 -13.576 156 H ASN 21 HN ASN 21 -1.275 -6.731 -11.593 157 HA ASN 21 HA ASN 21 -1.400 -9.331 -12.951 158 HB2 ASN 21 2HB ASN 21 0.845 -8.419 -13.320 159 HB3 ASN 21 1HB ASN 21 1.048 -8.179 -11.590 160 HD21 ASN 21 1HD2 ASN 21 0.788 -10.528 -14.145 161 HD22 ASN 21 2HD2 ASN 21 1.496 -11.845 -13.271 162 H THR 22 HN THR 22 -1.585 -11.123 -11.611 163 HA THR 22 HA THR 22 -2.406 -10.454 -8.889 164 HB THR 22 HB THR 22 -4.129 -11.576 -10.138 165 HG1 THR 22 1HG THR 22 -3.570 -13.808 -8.738 166 HG21 THR 22 3HG2 THR 22 -3.842 -13.835 -11.057 167 HG22 THR 22 1HG2 THR 22 -2.136 -13.798 -10.608 168 HG23 THR 22 2HG2 THR 22 -2.751 -12.683 -11.829 169 H VAL 23 HN VAL 23 -1.205 -11.016 -7.194 170 HA VAL 23 HA VAL 23 1.186 -12.589 -7.545 171 HB VAL 23 HB VAL 23 1.126 -10.644 -6.011 172 HG11 VAL 23 1HG1 VAL 23 -1.126 -10.875 -5.139 173 HG12 VAL 23 2HG1 VAL 23 0.048 -10.824 -3.825 174 HG13 VAL 23 3HG1 VAL 23 -0.669 -12.362 -4.307 175 HG21 VAL 23 3HG2 VAL 23 2.821 -12.352 -5.705 176 HG22 VAL 23 1HG2 VAL 23 1.735 -13.270 -4.660 177 HG23 VAL 23 2HG2 VAL 23 2.327 -11.689 -4.148 178 H SER 24 HN SER 24 -2.065 -13.096 -6.503 179 HA SER 24 HA SER 24 -1.547 -15.625 -5.228 180 HG SER 24 HG SER 24 -3.416 -13.038 -4.640 181 HB2 SER 24 2HB SER 24 -4.194 -14.446 -6.122 182 HB3 SER 24 1HB SER 24 -3.965 -15.785 -4.995 183 H HIS 25 HN HIS 25 -0.813 -17.191 -6.491 184 HA HIS 25 HA HIS 25 -1.541 -17.604 -9.215 185 HD1 HIS 25 1HD HIS 25 1.002 -19.374 -10.613 186 HD2 HIS 25 2HD HIS 25 -1.586 -21.744 -8.374 187 HE1 HIS 25 1HE HIS 25 0.754 -21.521 -11.901 188 HE2 HIS 25 2HE HIS 25 -0.628 -23.013 -10.413 189 HB2 HIS 25 2HB HIS 25 0.569 -18.457 -8.303 190 HB3 HIS 25 1HB HIS 25 -0.306 -19.472 -7.166 191 H SER 26 HN SER 26 -2.551 -18.946 -6.129 192 HA SER 26 HA SER 26 -5.005 -19.937 -7.426 193 HG SER 26 HG SER 26 -3.394 -22.863 -6.914 194 HB2 SER 26 2HB SER 26 -3.725 -21.200 -4.994 195 HB3 SER 26 1HB SER 26 -5.019 -21.853 -5.999 196 H ASP 27 HN ASP 27 -6.896 -19.262 -6.451 197 HA ASP 27 HA ASP 27 -6.707 -17.169 -4.540 198 HB2 ASP 27 2HB ASP 27 -9.134 -17.094 -4.608 199 HB3 ASP 27 1HB ASP 27 -8.501 -17.269 -6.237 200 H LYS 28 HN LYS 28 -7.818 -20.531 -4.334 201 HA LYS 28 HA LYS 28 -7.813 -22.028 -2.636 202 HB2 LYS 28 2HB LYS 28 -6.023 -19.971 -1.336 203 HB3 LYS 28 1HB LYS 28 -6.347 -21.558 -0.654 204 HG2 LYS 28 2HG LYS 28 -5.299 -22.647 -2.495 205 HG3 LYS 28 1HG LYS 28 -5.166 -21.130 -3.384 206 HD2 LYS 28 2HD LYS 28 -3.848 -21.504 -0.711 207 HD3 LYS 28 1HD LYS 28 -3.069 -22.028 -2.204 208 HE2 LYS 28 2HE LYS 28 -2.225 -19.873 -1.806 209 HE3 LYS 28 1HE LYS 28 -3.452 -19.659 -3.051 210 HZ1 LYS 28 3HZ LYS 28 -3.770 -17.940 -1.494 211 HZ2 LYS 28 1HZ LYS 28 -3.653 -18.994 -0.169 212 HZ3 LYS 28 2HZ LYS 28 -5.007 -19.054 -1.187 213 H LYS 29 HN LYS 29 -8.674 -22.526 -0.546 214 HA LYS 29 HA LYS 29 -10.080 -22.359 1.226 215 HB2 LYS 29 2HB LYS 29 -9.059 -19.565 1.021 216 HB3 LYS 29 1HB LYS 29 -10.437 -19.869 2.063 217 HG2 LYS 29 2HG LYS 29 -8.414 -19.916 3.355 218 HG3 LYS 29 1HG LYS 29 -9.115 -21.532 3.298 219 HD2 LYS 29 2HD LYS 29 -7.498 -22.263 1.710 220 HD3 LYS 29 1HD LYS 29 -6.910 -20.619 1.458 221 HE2 LYS 29 2HE LYS 29 -5.383 -21.899 2.864 222 HE3 LYS 29 1HE LYS 29 -6.090 -20.553 3.755 223 HZ1 LYS 29 3HZ LYS 29 -6.075 -22.517 5.109 224 HZ2 LYS 29 1HZ LYS 29 -6.903 -23.405 3.927 225 HZ3 LYS 29 2HZ LYS 29 -7.681 -22.128 4.734 226 H SER 30 HN SER 30 -12.011 -20.690 2.009 227 HA SER 30 HA SER 30 -13.606 -19.886 -0.295 228 HG SER 30 HG SER 30 -13.470 -22.276 -0.346 229 HB2 SER 30 2HB SER 30 -14.663 -21.629 1.947 230 HB3 SER 30 1HB SER 30 -15.617 -20.967 0.619 231 H GLU 31 HN GLU 31 -15.380 -18.412 0.352 232 HA GLU 31 HA GLU 31 -15.879 -16.368 1.185 233 HB2 GLU 31 2HB GLU 31 -15.055 -17.612 3.817 234 HB3 GLU 31 1HB GLU 31 -15.981 -16.129 3.631 235 HG2 GLU 31 2HG GLU 31 -17.709 -17.499 2.408 236 HG3 GLU 31 1HG GLU 31 -16.822 -18.927 2.936 237 H ARG 32 HN ARG 32 -14.268 -15.280 0.081 238 HA ARG 32 HA ARG 32 -11.634 -15.045 1.299 239 HE ARG 32 HE ARG 32 -11.363 -17.938 -2.821 240 HB2 ARG 32 2HB ARG 32 -12.690 -14.110 -1.374 241 HB3 ARG 32 1HB ARG 32 -11.047 -13.846 -0.821 242 HG2 ARG 32 2HG ARG 32 -10.905 -15.683 -2.249 243 HG3 ARG 32 1HG ARG 32 -10.879 -16.382 -0.630 244 HD2 ARG 32 2HD ARG 32 -13.151 -17.064 -0.800 245 HD3 ARG 32 1HD ARG 32 -13.387 -16.136 -2.281 246 HH11 ARG 32 1HH1 ARG 32 -14.730 -18.182 -1.813 247 HH12 ARG 32 2HH1 ARG 32 -14.993 -19.662 -2.677 248 HH21 ARG 32 1HH2 ARG 32 -11.738 -19.867 -3.948 249 HH22 ARG 32 2HH2 ARG 32 -13.311 -20.623 -3.860 250 H TRP 33 HN TRP 33 -10.729 -13.120 1.954 251 HA TRP 33 HA TRP 33 -12.574 -10.845 2.212 252 HD1 TRP 33 1HD TRP 33 -12.578 -12.972 5.481 253 HE1 TRP 33 1HE TRP 33 -14.480 -11.876 6.835 254 HE3 TRP 33 3HE TRP 33 -12.099 -8.165 3.802 255 HZ2 TRP 33 2HZ TRP 33 -15.621 -9.313 7.136 256 HZ3 TRP 33 3HZ TRP 33 -13.639 -6.454 4.670 257 HH2 TRP 33 2HH TRP 33 -15.364 -7.018 6.301 258 HB2 TRP 33 2HB TRP 33 -10.620 -12.053 4.026 259 HB3 TRP 33 1HB TRP 33 -10.462 -10.304 3.902 260 H PHE 34 HN PHE 34 -10.798 -11.612 -0.069 261 HA PHE 34 HA PHE 34 -9.525 -9.002 -0.368 262 HD1 PHE 34 1HD PHE 34 -8.222 -12.649 1.027 263 HD2 PHE 34 2HD PHE 34 -7.823 -11.797 -3.123 264 HE1 PHE 34 1HE PHE 34 -8.053 -15.057 0.553 265 HE2 PHE 34 2HE PHE 34 -7.660 -14.203 -3.606 266 HZ PHE 34 HZ PHE 34 -7.775 -15.837 -1.767 267 HB2 PHE 34 2HB PHE 34 -7.552 -10.064 -1.469 268 HB3 PHE 34 1HB PHE 34 -7.678 -10.417 0.249 269 H ARG 35 HN ARG 35 -9.179 -8.386 -2.589 270 HA ARG 35 HA ARG 35 -10.981 -9.792 -4.448 271 HE ARG 35 HE ARG 35 -14.347 -6.793 -2.001 272 HB2 ARG 35 2HB ARG 35 -10.569 -6.801 -4.158 273 HB3 ARG 35 1HB ARG 35 -11.534 -7.572 -5.408 274 HG2 ARG 35 2HG ARG 35 -13.011 -8.486 -3.657 275 HG3 ARG 35 1HG ARG 35 -12.076 -7.602 -2.449 276 HD2 ARG 35 2HD ARG 35 -12.624 -5.493 -3.611 277 HD3 ARG 35 1HD ARG 35 -13.609 -6.402 -4.756 278 HH11 ARG 35 1HH1 ARG 35 -14.861 -4.916 -4.897 279 HH12 ARG 35 2HH1 ARG 35 -16.400 -4.294 -4.388 280 HH21 ARG 35 1HH2 ARG 35 -16.376 -5.975 -1.311 281 HH22 ARG 35 2HH2 ARG 35 -17.255 -4.883 -2.346 282 HA PRO 36 HA PRO 36 -7.675 -9.815 -7.432 283 HB2 PRO 36 2HB PRO 36 -8.967 -9.034 -9.726 284 HB3 PRO 36 1HB PRO 36 -9.044 -10.666 -9.052 285 HG2 PRO 36 2HG PRO 36 -10.998 -8.415 -8.802 286 HG3 PRO 36 1HG PRO 36 -11.308 -10.142 -9.072 287 HD2 PRO 36 2HD PRO 36 -11.608 -9.014 -6.650 288 HD3 PRO 36 1HD PRO 36 -10.997 -10.672 -6.833 289 H ASN 37 HN ASN 37 -9.569 -6.970 -6.943 290 HA ASN 37 HA ASN 37 -7.196 -5.363 -7.500 291 HB2 ASN 37 2HB ASN 37 -9.957 -4.859 -8.579 292 HB3 ASN 37 1HB ASN 37 -8.865 -3.514 -8.268 293 HD21 ASN 37 1HD2 ASN 37 -9.662 -6.108 -10.351 294 HD22 ASN 37 2HD2 ASN 37 -8.408 -5.847 -11.520 295 H LEU 38 HN LEU 38 -7.465 -3.137 -6.485 296 HA LEU 38 HA LEU 38 -7.635 -1.898 -4.605 297 HG LEU 38 HG LEU 38 -10.263 -1.599 -5.627 298 HB2 LEU 38 2HB LEU 38 -10.048 -3.620 -4.247 299 HB3 LEU 38 1HB LEU 38 -9.491 -2.640 -2.907 300 HD11 LEU 38 1HD1 LEU 38 -11.685 -1.474 -2.973 301 HD12 LEU 38 2HD1 LEU 38 -12.173 -2.440 -4.365 302 HD13 LEU 38 3HD1 LEU 38 -12.209 -0.680 -4.458 303 HD21 LEU 38 3HD2 LEU 38 -10.122 0.607 -4.550 304 HD22 LEU 38 1HD2 LEU 38 -8.561 -0.217 -4.592 305 HD23 LEU 38 2HD2 LEU 38 -9.491 -0.162 -3.092 306 H GLN 39 HN GLN 39 -6.017 -2.040 -3.313 307 HA GLN 39 HA GLN 39 -5.481 -4.590 -1.955 308 HB2 GLN 39 2HB GLN 39 -3.576 -2.267 -2.341 309 HB3 GLN 39 1HB GLN 39 -3.172 -3.888 -1.798 310 HG2 GLN 39 2HG GLN 39 -4.399 -3.499 -4.483 311 HG3 GLN 39 1HG GLN 39 -2.694 -3.144 -4.244 312 HE21 GLN 39 1HE2 GLN 39 -4.276 -5.704 -2.470 313 HE22 GLN 39 2HE2 GLN 39 -3.508 -7.005 -3.294 314 H LYS 40 HN LYS 40 -6.203 -4.639 0.095 315 HA LYS 40 HA LYS 40 -6.645 -2.198 1.538 316 HB2 LYS 40 2HB LYS 40 -7.409 -3.631 3.381 317 HB3 LYS 40 1HB LYS 40 -8.181 -4.063 1.866 318 HG2 LYS 40 2HG LYS 40 -6.685 -5.982 1.641 319 HG3 LYS 40 1HG LYS 40 -5.890 -5.540 3.156 320 HD2 LYS 40 2HD LYS 40 -8.094 -5.772 4.300 321 HD3 LYS 40 1HD LYS 40 -8.767 -6.366 2.783 322 HE2 LYS 40 2HE LYS 40 -8.235 -8.255 4.144 323 HE3 LYS 40 1HE LYS 40 -7.076 -8.192 2.818 324 HZ1 LYS 40 3HZ LYS 40 -5.461 -7.191 4.324 325 HZ2 LYS 40 1HZ LYS 40 -5.990 -8.689 4.918 326 HZ3 LYS 40 2HZ LYS 40 -6.582 -7.254 5.597 327 H VAL 41 HN VAL 41 -5.045 -1.101 2.375 328 HA VAL 41 HA VAL 41 -2.838 -2.571 3.653 329 HB VAL 41 HB VAL 41 -1.262 -0.836 2.920 330 HG11 VAL 41 1HG1 VAL 41 -1.413 -2.863 1.618 331 HG12 VAL 41 2HG1 VAL 41 -1.130 -1.489 0.550 332 HG13 VAL 41 3HG1 VAL 41 -2.742 -2.195 0.671 333 HG21 VAL 41 3HG2 VAL 41 -2.823 1.016 2.651 334 HG22 VAL 41 1HG2 VAL 41 -3.543 0.220 1.251 335 HG23 VAL 41 2HG2 VAL 41 -1.867 0.768 1.191 336 H ARG 42 HN ARG 42 -1.565 -1.085 5.132 337 HA ARG 42 HA ARG 42 -3.493 0.343 6.804 338 HE ARG 42 HE ARG 42 -1.645 -4.542 8.209 339 HB2 ARG 42 2HB ARG 42 -0.631 -0.277 7.516 340 HB3 ARG 42 1HB ARG 42 -1.991 -0.016 8.597 341 HG2 ARG 42 2HG ARG 42 -2.924 -2.143 8.054 342 HG3 ARG 42 1HG ARG 42 -1.756 -2.382 6.755 343 HD2 ARG 42 2HD ARG 42 0.016 -2.150 8.624 344 HD3 ARG 42 1HD ARG 42 -1.330 -2.466 9.719 345 HH11 ARG 42 1HH1 ARG 42 1.397 -3.106 9.170 346 HH12 ARG 42 2HH1 ARG 42 2.311 -4.569 8.952 347 HH21 ARG 42 1HH2 ARG 42 -0.454 -6.483 7.933 348 HH22 ARG 42 2HH2 ARG 42 1.255 -6.503 8.270 349 H VAL 43 HN VAL 43 -3.608 2.483 6.538 350 HA VAL 43 HA VAL 43 -1.142 3.929 5.810 351 HB VAL 43 HB VAL 43 -2.583 5.682 4.848 352 HG11 VAL 43 1HG1 VAL 43 -3.067 2.928 3.715 353 HG12 VAL 43 2HG1 VAL 43 -1.688 3.973 3.368 354 HG13 VAL 43 3HG1 VAL 43 -3.305 4.444 2.845 355 HG21 VAL 43 3HG2 VAL 43 -4.957 5.254 4.445 356 HG22 VAL 43 1HG2 VAL 43 -4.600 5.307 6.170 357 HG23 VAL 43 2HG2 VAL 43 -4.845 3.756 5.368 358 H VAL 44 HN VAL 44 -0.839 6.015 6.793 359 HA VAL 44 HA VAL 44 -2.112 6.189 9.413 360 HB VAL 44 HB VAL 44 0.329 6.180 9.430 361 HG11 VAL 44 1HG1 VAL 44 0.134 8.712 7.811 362 HG12 VAL 44 2HG1 VAL 44 0.790 7.168 7.268 363 HG13 VAL 44 3HG1 VAL 44 1.609 8.076 8.539 364 HG21 VAL 44 3HG2 VAL 44 -0.871 8.828 10.216 365 HG22 VAL 44 1HG2 VAL 44 0.680 8.210 10.782 366 HG23 VAL 44 2HG2 VAL 44 -0.812 7.364 11.200 367 H LEU 45 HN LEU 45 -3.594 7.646 9.818 368 HA LEU 45 HA LEU 45 -4.370 9.560 7.810 369 HG LEU 45 HG LEU 45 -5.946 7.200 9.094 370 HB2 LEU 45 2HB LEU 45 -5.387 9.044 10.608 371 HB3 LEU 45 1HB LEU 45 -6.105 10.187 9.496 372 HD11 LEU 45 1HD1 LEU 45 -8.376 7.268 9.375 373 HD12 LEU 45 2HD1 LEU 45 -8.288 8.997 9.715 374 HD13 LEU 45 3HD1 LEU 45 -7.544 7.841 10.823 375 HD21 LEU 45 3HD2 LEU 45 -7.198 9.358 7.397 376 HD22 LEU 45 1HD2 LEU 45 -7.414 7.624 7.158 377 HD23 LEU 45 2HD2 LEU 45 -5.817 8.347 6.968 378 HA PRO 46 HA PRO 46 -1.991 13.023 9.214 379 HB2 PRO 46 2HB PRO 46 -4.399 14.648 8.616 380 HB3 PRO 46 1HB PRO 46 -2.753 14.795 7.988 381 HG2 PRO 46 2HG PRO 46 -4.720 13.825 6.466 382 HG3 PRO 46 1HG PRO 46 -3.078 13.160 6.378 383 HD2 PRO 46 2HD PRO 46 -5.505 12.050 7.735 384 HD3 PRO 46 1HD PRO 46 -4.233 11.206 6.824 385 H ASP 47 HN ASP 47 -5.182 12.335 10.411 386 HA ASP 47 HA ASP 47 -5.160 14.159 12.599 387 HB2 ASP 47 2HB ASP 47 -7.226 13.102 11.686 388 HB3 ASP 47 1HB ASP 47 -6.683 11.553 12.324 389 H GLY 48 HN GLY 48 -3.539 11.235 11.968 390 HA2 GLY 48 2HA GLY 48 -1.716 10.523 13.325 391 HA3 GLY 48 1HA GLY 48 -2.539 11.188 14.728 392 H THR 49 HN THR 49 -3.941 9.098 12.261 393 HA THR 49 HA THR 49 -4.339 7.055 14.346 394 HB THR 49 HB THR 49 -6.304 7.344 12.124 395 HG1 THR 49 1HG THR 49 -7.470 8.849 13.558 396 HG21 THR 49 3HG2 THR 49 -6.476 5.475 13.694 397 HG22 THR 49 1HG2 THR 49 -7.860 6.562 13.840 398 HG23 THR 49 2HG2 THR 49 -6.567 6.614 15.036 399 H ILE 50 HN ILE 50 -4.396 4.879 13.633 400 HA ILE 50 HA ILE 50 -3.139 4.424 11.014 401 HB ILE 50 HB ILE 50 -3.393 2.514 13.344 402 HG12 ILE 50 2HG1 ILE 50 -1.883 4.328 13.915 403 HG13 ILE 50 1HG1 ILE 50 -0.955 2.861 13.620 404 HG21 ILE 50 1HG2 ILE 50 -1.877 2.278 10.748 405 HG22 ILE 50 2HG2 ILE 50 -3.287 1.338 11.236 406 HG23 ILE 50 3HG2 ILE 50 -1.760 1.149 12.100 407 HD11 ILE 50 3HD1 ILE 50 0.130 4.815 12.662 408 HD12 ILE 50 1HD1 ILE 50 -1.304 5.149 11.692 409 HD13 ILE 50 2HD1 ILE 50 -0.363 3.686 11.401 410 H LYS 51 HN LYS 51 -4.418 3.684 9.412 411 HA LYS 51 HA LYS 51 -6.876 2.267 10.161 412 HB2 LYS 51 2HB LYS 51 -7.423 4.633 9.932 413 HB3 LYS 51 1HB LYS 51 -6.713 4.660 8.329 414 HG2 LYS 51 2HG LYS 51 -8.434 3.191 7.496 415 HG3 LYS 51 1HG LYS 51 -9.111 3.021 9.118 416 HD2 LYS 51 2HD LYS 51 -9.641 5.384 9.177 417 HD3 LYS 51 1HD LYS 51 -8.880 5.619 7.602 418 HE2 LYS 51 2HE LYS 51 -10.548 4.197 6.560 419 HE3 LYS 51 1HE LYS 51 -11.276 3.864 8.131 420 HZ1 LYS 51 3HZ LYS 51 -11.071 6.581 6.950 421 HZ2 LYS 51 1HZ LYS 51 -11.929 6.132 8.342 422 HZ3 LYS 51 2HZ LYS 51 -12.444 5.595 6.819 423 H ARG 52 HN ARG 52 -7.446 0.655 8.828 424 HA ARG 52 HA ARG 52 -5.737 0.100 6.531 425 HE ARG 52 HE ARG 52 -5.069 -3.186 10.418 426 HB2 ARG 52 2HB ARG 52 -7.979 -1.561 7.701 427 HB3 ARG 52 1HB ARG 52 -6.844 -2.078 6.464 428 HG2 ARG 52 2HG ARG 52 -5.007 -1.879 8.072 429 HG3 ARG 52 1HG ARG 52 -6.163 -1.386 9.315 430 HD2 ARG 52 2HD ARG 52 -7.368 -3.555 8.875 431 HD3 ARG 52 1HD ARG 52 -5.981 -4.039 7.900 432 HH11 ARG 52 1HH1 ARG 52 -6.805 -5.866 8.955 433 HH12 ARG 52 2HH1 ARG 52 -6.391 -6.981 10.223 434 HH21 ARG 52 1HH2 ARG 52 -4.517 -4.644 12.046 435 HH22 ARG 52 2HH2 ARG 52 -5.046 -6.297 11.965 436 H MET 53 HN MET 53 -6.337 0.544 4.504 437 HA MET 53 HA MET 53 -9.187 1.034 3.975 438 HB2 MET 53 2HB MET 53 -6.946 2.897 3.155 439 HB3 MET 53 1HB MET 53 -8.638 3.074 2.709 440 HG2 MET 53 2HG MET 53 -9.214 3.348 5.080 441 HG3 MET 53 1HG MET 53 -7.509 3.204 5.497 442 HE1 MET 53 3HE MET 53 -9.307 5.096 2.517 443 HE2 MET 53 1HE MET 53 -9.405 6.722 3.197 444 HE3 MET 53 2HE MET 53 -10.312 5.403 3.937 445 H ARG 54 HN ARG 54 -9.739 1.064 1.701 446 HA ARG 54 HA ARG 54 -8.286 -0.928 0.189 447 HE ARG 54 HE ARG 54 -13.263 -2.743 1.024 448 HB2 ARG 54 2HB ARG 54 -10.702 0.709 -0.622 449 HB3 ARG 54 1HB ARG 54 -10.105 -0.743 -1.416 450 HG2 ARG 54 2HG ARG 54 -10.738 -2.109 0.409 451 HG3 ARG 54 1HG ARG 54 -11.060 -0.707 1.430 452 HD2 ARG 54 2HD ARG 54 -12.871 -0.058 -0.147 453 HD3 ARG 54 1HD ARG 54 -12.594 -1.567 -1.016 454 HH11 ARG 54 1HH1 ARG 54 -14.145 0.647 0.719 455 HH12 ARG 54 2HH1 ARG 54 -15.465 0.518 1.842 456 HH21 ARG 54 1HH2 ARG 54 -14.997 -2.907 2.474 457 HH22 ARG 54 2HH2 ARG 54 -15.933 -1.496 2.876 458 H VAL 55 HN VAL 55 -6.428 -0.200 -0.678 459 HA VAL 55 HA VAL 55 -6.435 2.459 -1.948 460 HB VAL 55 HB VAL 55 -4.132 0.940 -0.712 461 HG11 VAL 55 1HG1 VAL 55 -4.176 3.686 -1.961 462 HG12 VAL 55 2HG1 VAL 55 -3.373 2.259 -2.612 463 HG13 VAL 55 3HG1 VAL 55 -2.816 2.969 -1.099 464 HG21 VAL 55 3HG2 VAL 55 -5.651 1.846 0.950 465 HG22 VAL 55 1HG2 VAL 55 -5.568 3.434 0.185 466 HG23 VAL 55 2HG2 VAL 55 -4.133 2.743 0.945 467 H CYS 56 HN CYS 56 -5.773 2.674 -4.014 468 HA CYS 56 HA CYS 56 -5.483 0.307 -5.628 469 HG CYS 56 HG CYS 56 -7.862 2.653 -7.775 470 HB2 CYS 56 2HB CYS 56 -5.295 3.237 -6.373 471 HB3 CYS 56 1HB CYS 56 -5.352 1.897 -7.514 472 H THR 57 HN THR 57 -3.690 -0.153 -6.990 473 HA THR 57 HA THR 57 -1.192 -0.016 -5.756 474 HB THR 57 HB THR 57 -1.563 -0.458 -8.712 475 HG1 THR 57 1HG THR 57 -1.765 -2.674 -7.084 476 HG21 THR 57 3HG2 THR 57 0.223 -2.099 -8.382 477 HG22 THR 57 1HG2 THR 57 0.251 -1.738 -6.657 478 HG23 THR 57 2HG2 THR 57 0.732 -0.505 -7.824 479 H SER 58 HN SER 58 -2.733 2.149 -8.013 480 HA SER 58 HA SER 58 -0.485 3.585 -8.886 481 HG SER 58 HG SER 58 -2.356 2.869 -10.281 482 HB2 SER 58 2HB SER 58 -3.225 4.759 -8.388 483 HB3 SER 58 1HB SER 58 -2.037 5.251 -9.597 484 H CYS 59 HN CYS 59 -2.611 4.007 -6.093 485 HA CYS 59 HA CYS 59 -1.237 6.234 -4.970 486 HG CYS 59 HG CYS 59 -3.901 7.192 -5.025 487 HB2 CYS 59 2HB CYS 59 -3.034 4.179 -3.649 488 HB3 CYS 59 1HB CYS 59 -2.595 5.749 -2.992 489 H LEU 60 HN LEU 60 -0.985 2.730 -4.676 490 HA LEU 60 HA LEU 60 0.839 2.644 -2.533 491 HG LEU 60 HG LEU 60 -1.531 0.874 -3.410 492 HB2 LEU 60 2HB LEU 60 0.471 0.739 -4.848 493 HB3 LEU 60 1HB LEU 60 1.453 0.401 -3.438 494 HD11 LEU 60 1HD1 LEU 60 0.065 -1.661 -3.089 495 HD12 LEU 60 2HD1 LEU 60 -0.934 -1.236 -4.478 496 HD13 LEU 60 3HD1 LEU 60 -1.682 -1.510 -2.903 497 HD21 LEU 60 3HD2 LEU 60 0.334 -0.002 -1.208 498 HD22 LEU 60 1HD2 LEU 60 -1.417 0.162 -1.085 499 HD23 LEU 60 2HD2 LEU 60 -0.413 1.590 -1.344 500 H LYS 61 HN LYS 61 1.266 3.089 -5.992 501 HA LYS 61 HA LYS 61 4.143 2.946 -5.860 502 HB2 LYS 61 2HB LYS 61 2.905 2.225 -7.864 503 HB3 LYS 61 1HB LYS 61 2.312 3.866 -8.088 504 HG2 LYS 61 2HG LYS 61 4.791 4.528 -8.205 505 HG3 LYS 61 1HG LYS 61 5.090 2.805 -8.436 506 HD2 LYS 61 2HD LYS 61 3.324 4.545 -10.160 507 HD3 LYS 61 1HD LYS 61 4.938 3.970 -10.576 508 HE2 LYS 61 2HE LYS 61 2.546 2.215 -10.037 509 HE3 LYS 61 1HE LYS 61 3.145 2.650 -11.637 510 HZ1 LYS 61 3HZ LYS 61 5.319 1.616 -10.880 511 HZ2 LYS 61 1HZ LYS 61 4.031 0.552 -11.188 512 HZ3 LYS 61 2HZ LYS 61 4.440 0.943 -9.590 513 H SER 62 HN SER 62 1.869 5.561 -6.787 514 HA SER 62 HA SER 62 4.095 7.443 -6.619 515 HG SER 62 HG SER 62 3.494 6.656 -8.752 516 HB2 SER 62 2HB SER 62 1.288 7.900 -7.644 517 HB3 SER 62 1HB SER 62 2.692 8.935 -7.902 518 H GLY 63 HN GLY 63 1.185 6.630 -4.920 519 HA2 GLY 63 2HA GLY 63 1.118 7.340 -2.587 520 HA3 GLY 63 1HA GLY 63 1.718 8.901 -3.119 521 H LYS 64 HN LYS 64 0.313 10.417 -3.851 522 HA LYS 64 HA LYS 64 -1.609 11.613 -3.713 523 HB2 LYS 64 2HB LYS 64 -2.148 9.337 -5.382 524 HB3 LYS 64 1HB LYS 64 -3.601 9.776 -4.499 525 HG2 LYS 64 2HG LYS 64 -2.022 11.874 -5.923 526 HG3 LYS 64 1HG LYS 64 -3.136 10.837 -6.814 527 HD2 LYS 64 2HD LYS 64 -4.362 12.777 -6.256 528 HD3 LYS 64 1HD LYS 64 -4.905 11.525 -5.145 529 HE2 LYS 64 2HE LYS 64 -4.640 13.553 -3.908 530 HE3 LYS 64 1HE LYS 64 -3.346 12.451 -3.439 531 HZ1 LYS 64 3HZ LYS 64 -1.807 13.653 -4.804 532 HZ2 LYS 64 1HZ LYS 64 -2.597 14.758 -3.789 533 HZ3 LYS 64 2HZ LYS 64 -3.038 14.646 -5.421 534 H VAL 65 HN VAL 65 -0.817 9.701 -1.518 535 HA VAL 65 HA VAL 65 -3.201 10.065 0.114 536 HB VAL 65 HB VAL 65 -2.878 7.846 1.163 537 HG11 VAL 65 1HG1 VAL 65 -3.777 6.457 -0.662 538 HG12 VAL 65 2HG1 VAL 65 -3.364 7.730 -1.811 539 HG13 VAL 65 3HG1 VAL 65 -4.566 8.030 -0.556 540 HG21 VAL 65 3HG2 VAL 65 -1.472 6.153 0.107 541 HG22 VAL 65 1HG2 VAL 65 -0.513 7.538 0.628 542 HG23 VAL 65 2HG2 VAL 65 -0.920 7.338 -1.077 543 H LYS 66 HN LYS 66 -2.419 9.394 2.519 544 HA LYS 66 HA LYS 66 -0.080 11.016 3.011 545 HB2 LYS 66 2HB LYS 66 -2.073 11.044 4.510 546 HB3 LYS 66 1HB LYS 66 -1.699 9.395 4.984 547 HG2 LYS 66 2HG LYS 66 -0.947 11.081 6.621 548 HG3 LYS 66 1HG LYS 66 0.369 10.091 5.991 549 HD2 LYS 66 2HD LYS 66 0.961 12.487 6.153 550 HD3 LYS 66 1HD LYS 66 1.049 11.873 4.503 551 HE2 LYS 66 2HE LYS 66 -1.118 12.860 4.000 552 HE3 LYS 66 1HE LYS 66 -1.261 13.432 5.663 553 HZ1 LYS 66 3HZ LYS 66 0.507 14.941 5.349 554 HZ2 LYS 66 1HZ LYS 66 -0.490 15.112 3.989 555 HZ3 LYS 66 2HZ LYS 66 0.963 14.244 3.874 556 H LYS 67 HN LYS 67 -1.004 7.637 3.382 557 HA LYS 67 HA LYS 67 0.174 5.707 3.146 558 HB2 LYS 67 2HB LYS 67 1.365 7.262 1.376 559 HB3 LYS 67 1HB LYS 67 2.696 7.193 2.519 560 HG2 LYS 67 2HG LYS 67 2.822 4.798 2.301 561 HG3 LYS 67 1HG LYS 67 1.384 4.786 1.275 562 HD2 LYS 67 2HD LYS 67 2.640 6.289 -0.318 563 HD3 LYS 67 1HD LYS 67 4.082 5.982 0.651 564 HE2 LYS 67 2HE LYS 67 3.931 3.612 0.178 565 HE3 LYS 67 1HE LYS 67 2.424 3.859 -0.703 566 HZ1 LYS 67 3HZ LYS 67 5.124 4.835 -1.465 567 HZ2 LYS 67 1HZ LYS 67 3.700 5.304 -2.249 568 HZ3 LYS 67 2HZ LYS 67 4.185 3.683 -2.276 569 H TYR 68 HN TYR 68 1.398 4.362 4.475 570 HA TYR 68 HA TYR 68 2.031 5.525 7.037 571 HD1 TYR 68 2HD TYR 68 1.474 4.861 9.079 572 HD2 TYR 68 1HD TYR 68 3.173 1.201 7.731 573 HE1 TYR 68 2HE TYR 68 2.160 4.338 11.381 574 HE2 TYR 68 1HE TYR 68 3.868 0.671 10.028 575 HH TYR 68 HH TYR 68 2.741 2.435 12.742 576 HB2 TYR 68 2HB TYR 68 0.786 3.365 6.774 577 HB3 TYR 68 1HB TYR 68 2.268 2.635 6.172 578 H VAL 69 HN VAL 69 3.725 6.459 5.090 579 HA VAL 69 HA VAL 69 5.889 6.768 4.470 580 HB VAL 69 HB VAL 69 7.440 7.112 6.299 581 HG11 VAL 69 1HG1 VAL 69 6.109 8.681 7.623 582 HG12 VAL 69 2HG1 VAL 69 4.634 7.962 6.979 583 HG13 VAL 69 3HG1 VAL 69 5.754 8.795 5.902 584 HG21 VAL 69 3HG2 VAL 69 7.018 5.132 7.641 585 HG22 VAL 69 1HG2 VAL 69 5.409 5.729 8.050 586 HG23 VAL 69 2HG2 VAL 69 6.841 6.586 8.622 587 H GLY 70 HN GLY 70 5.077 4.038 4.048 588 HA2 GLY 70 2HA GLY 70 7.154 2.278 4.888 589 HA3 GLY 70 1HA GLY 70 5.945 1.942 3.659 590 H GLN 71 HN GLN 71 8.141 0.887 2.955 591 HA GLN 71 HA GLN 71 10.161 2.504 1.861 592 HB2 GLN 71 2HB GLN 71 10.869 0.490 0.641 593 HB3 GLN 71 1HB GLN 71 10.553 0.159 2.338 594 HG2 GLN 71 2HG GLN 71 8.426 -0.841 1.788 595 HG3 GLN 71 1HG GLN 71 8.642 -0.425 0.086 596 HE21 GLN 71 1HE2 GLN 71 10.128 -1.572 -1.150 597 HE22 GLN 71 2HE2 GLN 71 10.759 -3.099 -0.641 598 H VAL 72 HN VAL 72 10.488 3.380 -0.099 599 HA VAL 72 HA VAL 72 8.389 2.989 -2.122 600 HB VAL 72 HB VAL 72 8.866 5.353 -2.888 601 HG11 VAL 72 1HG1 VAL 72 7.384 6.361 -1.229 602 HG12 VAL 72 2HG1 VAL 72 7.664 4.999 -0.143 603 HG13 VAL 72 3HG1 VAL 72 6.834 4.746 -1.678 604 HG21 VAL 72 3HG2 VAL 72 9.782 6.911 -1.244 605 HG22 VAL 72 1HG2 VAL 72 10.973 5.693 -1.700 606 HG23 VAL 72 2HG2 VAL 72 10.131 5.568 -0.157 607 H SER 73 HN SER 73 9.265 1.754 -3.610 608 HA SER 73 HA SER 73 12.015 1.736 -4.303 609 HG SER 73 HG SER 73 10.791 -1.124 -4.375 610 HB2 SER 73 2HB SER 73 9.756 0.745 -6.048 611 HB3 SER 73 1HB SER 73 11.406 0.130 -5.947 612 H GLU 74 HN GLU 74 9.406 3.733 -5.117 613 HA GLU 74 HA GLU 74 11.057 5.414 -6.759 614 HB2 GLU 74 2HB GLU 74 9.677 3.507 -8.141 615 HB3 GLU 74 1HB GLU 74 8.475 4.786 -8.074 616 HG2 GLU 74 2HG GLU 74 11.272 5.159 -9.111 617 HG3 GLU 74 1HG GLU 74 9.878 4.786 -10.121 618 H VAL 75 HN VAL 75 9.996 7.533 -7.032 619 HA VAL 75 HA VAL 75 8.356 8.062 -4.697 620 HB VAL 75 HB VAL 75 10.296 9.512 -5.204 621 HG11 VAL 75 1HG1 VAL 75 10.127 11.179 -7.007 622 HG12 VAL 75 2HG1 VAL 75 8.664 10.383 -7.586 623 HG13 VAL 75 3HG1 VAL 75 10.206 9.530 -7.624 624 HG21 VAL 75 3HG2 VAL 75 7.610 10.877 -5.237 625 HG22 VAL 75 1HG2 VAL 75 9.140 11.663 -4.848 626 HG23 VAL 75 2HG2 VAL 75 8.523 10.375 -3.814 627 H GLY 76 HN GLY 76 8.042 8.035 -8.190 628 HA2 GLY 76 2HA GLY 76 6.097 7.905 -9.439 629 HA3 GLY 76 1HA GLY 76 5.170 8.033 -7.949 630 H SER 77 HN SER 77 5.531 10.344 -6.896 631 HA SER 77 HA SER 77 5.367 12.384 -8.990 632 HG SER 77 HG SER 77 3.606 13.808 -9.043 633 HB2 SER 77 2HB SER 77 3.055 11.545 -8.372 634 HB3 SER 77 1HB SER 77 3.339 12.171 -6.750 Start of MODEL 8 1 HA GLN 1 HA GLN 1 -18.436 9.249 2.986 2 H1 GLN 1 1HT GLN 1 -17.568 10.484 1.116 3 H2 GLN 1 2HT GLN 1 -17.110 11.213 2.578 4 H3 GLN 1 3HT GLN 1 -18.355 11.891 1.645 5 HB2 GLN 1 2HB GLN 1 -19.755 11.893 3.620 6 HB3 GLN 1 1HB GLN 1 -20.276 10.368 4.318 7 HG2 GLN 1 2HG GLN 1 -18.097 10.082 5.352 8 HG3 GLN 1 1HG GLN 1 -17.539 11.583 4.615 9 HE21 GLN 1 1HE2 GLN 1 -19.647 10.179 7.013 10 HE22 GLN 1 2HE2 GLN 1 -19.907 11.635 7.917 11 H GLY 2 HN GLY 2 -19.408 7.959 1.504 12 HA2 GLY 2 2HA GLY 2 -22.129 8.505 0.841 13 HA3 GLY 2 1HA GLY 2 -21.077 8.719 -0.548 14 H HIS 3 HN HIS 3 -23.123 6.642 0.777 15 HA HIS 3 HA HIS 3 -21.669 4.234 -0.056 16 HD1 HIS 3 1HD HIS 3 -23.108 5.496 3.494 17 HD2 HIS 3 2HD HIS 3 -21.801 1.788 2.118 18 HE1 HIS 3 1HE HIS 3 -21.718 4.523 5.353 19 HE2 HIS 3 2HE HIS 3 -20.975 2.260 4.524 20 HB2 HIS 3 2HB HIS 3 -24.307 4.660 1.358 21 HB3 HIS 3 1HB HIS 3 -23.833 3.091 0.713 22 H MET 4 HN MET 4 -23.500 6.643 -1.273 23 HA MET 4 HA MET 4 -25.170 5.281 -3.147 24 HB2 MET 4 2HB MET 4 -25.401 7.595 -4.115 25 HB3 MET 4 1HB MET 4 -25.813 7.468 -2.409 26 HG2 MET 4 2HG MET 4 -23.607 8.351 -1.818 27 HG3 MET 4 1HG MET 4 -23.214 8.499 -3.529 28 HE1 MET 4 3HE MET 4 -23.648 12.214 -2.299 29 HE2 MET 4 1HE MET 4 -22.565 11.071 -3.095 30 HE3 MET 4 2HE MET 4 -22.979 10.855 -1.395 31 H ILE 5 HN ILE 5 -22.754 4.125 -3.485 32 HA ILE 5 HA ILE 5 -22.046 4.964 -6.186 33 HB ILE 5 HB ILE 5 -20.370 6.105 -4.898 34 HG12 ILE 5 2HG1 ILE 5 -19.175 3.582 -6.071 35 HG13 ILE 5 1HG1 ILE 5 -19.644 5.007 -6.990 36 HG21 ILE 5 1HG2 ILE 5 -18.834 4.927 -3.378 37 HG22 ILE 5 2HG2 ILE 5 -19.796 3.461 -3.572 38 HG23 ILE 5 3HG2 ILE 5 -20.507 4.887 -2.819 39 HD11 ILE 5 3HD1 ILE 5 -17.505 4.901 -4.880 40 HD12 ILE 5 1HD1 ILE 5 -17.979 6.330 -5.795 41 HD13 ILE 5 2HD1 ILE 5 -17.249 4.954 -6.624 42 H MET 6 HN MET 6 -21.656 2.589 -3.602 43 HA MET 6 HA MET 6 -21.756 0.336 -3.551 44 HB2 MET 6 2HB MET 6 -22.653 0.641 -6.413 45 HB3 MET 6 1HB MET 6 -22.568 -0.905 -5.582 46 HG2 MET 6 2HG MET 6 -24.271 1.443 -4.782 47 HG3 MET 6 1HG MET 6 -24.829 -0.021 -5.588 48 HE1 MET 6 3HE MET 6 -23.144 -2.284 -4.105 49 HE2 MET 6 1HE MET 6 -24.865 -2.416 -4.457 50 HE3 MET 6 2HE MET 6 -24.270 -2.742 -2.828 51 H ALA 7 HN ALA 7 -20.214 1.475 -6.543 52 HA ALA 7 HA ALA 7 -18.480 -0.731 -6.832 53 HB1 ALA 7 1HB ALA 7 -18.097 2.089 -7.820 54 HB2 ALA 7 2HB ALA 7 -19.022 0.831 -8.643 55 HB3 ALA 7 3HB ALA 7 -17.281 0.648 -8.422 56 H LYS 8 HN LYS 8 -16.291 -0.968 -6.340 57 HA LYS 8 HA LYS 8 -15.463 0.605 -4.008 58 HB2 LYS 8 2HB LYS 8 -15.252 -2.230 -4.704 59 HB3 LYS 8 1HB LYS 8 -13.746 -1.547 -4.107 60 HG2 LYS 8 2HG LYS 8 -14.938 -2.484 -2.268 61 HG3 LYS 8 1HG LYS 8 -14.972 -0.730 -2.109 62 HD2 LYS 8 2HD LYS 8 -17.144 -1.556 -1.567 63 HD3 LYS 8 1HD LYS 8 -17.256 -0.771 -3.143 64 HE2 LYS 8 2HE LYS 8 -17.158 -2.933 -4.247 65 HE3 LYS 8 1HE LYS 8 -16.954 -3.738 -2.693 66 HZ1 LYS 8 3HZ LYS 8 -19.334 -2.174 -3.526 67 HZ2 LYS 8 1HZ LYS 8 -19.146 -2.970 -2.038 68 HZ3 LYS 8 2HZ LYS 8 -19.238 -3.865 -3.477 69 H ARG 9 HN ARG 9 -14.658 2.320 -5.238 70 HA ARG 9 HA ARG 9 -12.291 1.899 -6.866 71 HE ARG 9 HE ARG 9 -15.001 6.624 -4.109 72 HB2 ARG 9 2HB ARG 9 -12.302 4.484 -6.825 73 HB3 ARG 9 1HB ARG 9 -13.601 3.667 -7.679 74 HG2 ARG 9 2HG ARG 9 -14.500 5.513 -6.431 75 HG3 ARG 9 1HG ARG 9 -15.061 4.003 -5.712 76 HD2 ARG 9 2HD ARG 9 -13.328 4.194 -3.989 77 HD3 ARG 9 1HD ARG 9 -12.790 5.712 -4.705 78 HH11 ARG 9 1HH1 ARG 9 -13.887 3.729 -2.468 79 HH12 ARG 9 2HH1 ARG 9 -14.832 4.027 -1.037 80 HH21 ARG 9 1HH2 ARG 9 -16.217 7.012 -2.203 81 HH22 ARG 9 2HH2 ARG 9 -16.125 5.889 -0.882 82 H CYS 10 HN CYS 10 -10.419 3.593 -6.267 83 HA CYS 10 HA CYS 10 -9.305 2.942 -3.765 84 HG CYS 10 HG CYS 10 -6.095 5.409 -4.438 85 HB2 CYS 10 2HB CYS 10 -7.941 3.828 -5.610 86 HB3 CYS 10 1HB CYS 10 -8.782 5.362 -5.511 87 H GLU 11 HN GLU 11 -10.050 3.494 -1.820 88 HA GLU 11 HA GLU 11 -12.196 5.290 -1.499 89 HB2 GLU 11 2HB GLU 11 -10.334 4.132 0.581 90 HB3 GLU 11 1HB GLU 11 -11.852 4.947 0.932 91 HG2 GLU 11 2HG GLU 11 -13.011 3.214 -0.441 92 HG3 GLU 11 1HG GLU 11 -11.476 2.363 -0.561 93 H VAL 12 HN VAL 12 -8.894 5.918 -1.772 94 HA VAL 12 HA VAL 12 -8.821 8.248 -0.093 95 HB VAL 12 HB VAL 12 -6.822 7.351 -2.178 96 HG11 VAL 12 1HG1 VAL 12 -6.576 9.698 -1.591 97 HG12 VAL 12 2HG1 VAL 12 -5.243 8.758 -0.920 98 HG13 VAL 12 3HG1 VAL 12 -6.563 9.291 0.124 99 HG21 VAL 12 3HG2 VAL 12 -7.144 5.629 -0.500 100 HG22 VAL 12 1HG2 VAL 12 -6.919 6.811 0.789 101 HG23 VAL 12 2HG2 VAL 12 -5.574 6.406 -0.279 102 H CYS 13 HN CYS 13 -8.410 7.807 -3.646 103 HA CYS 13 HA CYS 13 -9.301 10.612 -3.922 104 HG CYS 13 HG CYS 13 -6.181 12.069 -4.376 105 HB2 CYS 13 2HB CYS 13 -7.152 9.171 -5.481 106 HB3 CYS 13 1HB CYS 13 -7.767 10.769 -5.885 107 H GLY 14 HN GLY 14 -10.432 7.661 -4.458 108 HA2 GLY 14 2HA GLY 14 -12.092 6.872 -5.853 109 HA3 GLY 14 1HA GLY 14 -12.182 8.479 -6.560 110 H LYS 15 HN LYS 15 -9.164 6.819 -6.460 111 HA LYS 15 HA LYS 15 -8.906 6.860 -9.310 112 HB2 LYS 15 2HB LYS 15 -7.141 5.475 -7.277 113 HB3 LYS 15 1HB LYS 15 -6.706 5.903 -8.924 114 HG2 LYS 15 2HG LYS 15 -7.410 7.929 -6.813 115 HG3 LYS 15 1HG LYS 15 -5.767 7.381 -7.137 116 HD2 LYS 15 2HD LYS 15 -7.584 8.670 -9.167 117 HD3 LYS 15 1HD LYS 15 -6.320 9.509 -8.265 118 HE2 LYS 15 2HE LYS 15 -4.676 7.896 -9.219 119 HE3 LYS 15 1HE LYS 15 -5.971 7.253 -10.232 120 HZ1 LYS 15 3HZ LYS 15 -4.885 10.012 -10.258 121 HZ2 LYS 15 1HZ LYS 15 -6.258 9.523 -11.132 122 HZ3 LYS 15 2HZ LYS 15 -4.745 8.842 -11.485 123 H ALA 16 HN ALA 16 -8.355 4.904 -10.585 124 HA ALA 16 HA ALA 16 -10.195 2.753 -9.883 125 HB1 ALA 16 1HB ALA 16 -10.351 3.717 -12.117 126 HB2 ALA 16 2HB ALA 16 -9.917 2.011 -12.188 127 HB3 ALA 16 3HB ALA 16 -8.685 3.246 -12.450 128 HA PRO 17 HA PRO 17 -6.854 0.090 -8.778 129 HB2 PRO 17 2HB PRO 17 -8.259 -2.150 -8.364 130 HB3 PRO 17 1HB PRO 17 -8.430 -0.733 -7.324 131 HG2 PRO 17 2HG PRO 17 -10.259 -1.780 -9.409 132 HG3 PRO 17 1HG PRO 17 -10.632 -0.880 -7.930 133 HD2 PRO 17 2HD PRO 17 -10.448 0.155 -10.564 134 HD3 PRO 17 1HD PRO 17 -10.629 1.077 -9.060 135 H ARG 18 HN ARG 18 -5.376 -1.075 -9.819 136 HA ARG 18 HA ARG 18 -6.173 -3.062 -11.787 137 HE ARG 18 HE ARG 18 -3.446 0.086 -14.137 138 HB2 ARG 18 2HB ARG 18 -4.145 -0.893 -12.389 139 HB3 ARG 18 1HB ARG 18 -4.381 -2.336 -13.365 140 HG2 ARG 18 2HG ARG 18 -6.741 -1.603 -13.729 141 HG3 ARG 18 1HG ARG 18 -6.330 -0.091 -12.918 142 HD2 ARG 18 2HD ARG 18 -5.126 -1.187 -15.453 143 HD3 ARG 18 1HD ARG 18 -6.170 0.226 -15.293 144 HH11 ARG 18 1HH1 ARG 18 -5.974 1.798 -15.842 145 HH12 ARG 18 2HH1 ARG 18 -5.053 3.257 -16.010 146 HH21 ARG 18 1HH2 ARG 18 -2.231 1.984 -14.346 147 HH22 ARG 18 2HH2 ARG 18 -2.902 3.367 -15.172 148 H SER 19 HN SER 19 -5.267 -4.863 -11.135 149 HA SER 19 HA SER 19 -3.829 -6.383 -10.279 150 HG SER 19 HG SER 19 -2.135 -4.867 -12.951 151 HB2 SER 19 2HB SER 19 -1.709 -4.336 -10.981 152 HB3 SER 19 1HB SER 19 -1.431 -6.045 -10.651 153 H GLY 20 HN GLY 20 -4.972 -5.692 -8.251 154 HA2 GLY 20 2HA GLY 20 -3.256 -4.217 -6.382 155 HA3 GLY 20 1HA GLY 20 -4.963 -4.564 -6.161 156 H ASN 21 HN ASN 21 -3.122 -7.177 -7.280 157 HA ASN 21 HA ASN 21 -2.298 -9.082 -6.398 158 HB2 ASN 21 2HB ASN 21 -0.794 -7.631 -5.117 159 HB3 ASN 21 1HB ASN 21 -2.006 -7.480 -3.848 160 HD21 ASN 21 1HD2 ASN 21 -0.484 -8.328 -2.363 161 HD22 ASN 21 2HD2 ASN 21 -0.169 -10.026 -2.302 162 H THR 22 HN THR 22 -3.301 -10.882 -5.881 163 HA THR 22 HA THR 22 -5.974 -10.885 -4.998 164 HB THR 22 HB THR 22 -4.142 -13.286 -4.987 165 HG1 THR 22 1HG THR 22 -4.112 -13.258 -7.120 166 HG21 THR 22 3HG2 THR 22 -6.166 -14.492 -5.612 167 HG22 THR 22 1HG2 THR 22 -7.080 -12.985 -5.620 168 HG23 THR 22 2HG2 THR 22 -6.418 -13.605 -4.108 169 H VAL 23 HN VAL 23 -2.941 -11.246 -3.366 170 HA VAL 23 HA VAL 23 -2.245 -11.551 -1.261 171 HB VAL 23 HB VAL 23 -3.243 -10.366 0.505 172 HG11 VAL 23 1HG1 VAL 23 -3.781 -8.180 -0.487 173 HG12 VAL 23 2HG1 VAL 23 -3.872 -8.954 -2.069 174 HG13 VAL 23 3HG1 VAL 23 -2.346 -8.932 -1.187 175 HG21 VAL 23 3HG2 VAL 23 -5.539 -9.492 0.482 176 HG22 VAL 23 1HG2 VAL 23 -5.489 -11.254 0.464 177 HG23 VAL 23 2HG2 VAL 23 -5.841 -10.367 -1.018 178 H SER 24 HN SER 24 -3.096 -12.316 1.089 179 HA SER 24 HA SER 24 -4.795 -14.665 0.769 180 HG SER 24 HG SER 24 -3.280 -17.062 0.850 181 HB2 SER 24 2HB SER 24 -2.345 -15.253 0.317 182 HB3 SER 24 1HB SER 24 -2.049 -14.887 2.016 183 H HIS 25 HN HIS 25 -4.440 -15.823 3.177 184 HA HIS 25 HA HIS 25 -4.902 -15.752 5.387 185 HD1 HIS 25 1HD HIS 25 -2.870 -15.070 7.907 186 HD2 HIS 25 2HD HIS 25 -5.957 -12.326 7.443 187 HE1 HIS 25 1HE HIS 25 -3.704 -14.588 10.230 188 HE2 HIS 25 2HE HIS 25 -5.727 -13.114 9.894 189 HB2 HIS 25 2HB HIS 25 -3.029 -14.145 5.561 190 HB3 HIS 25 1HB HIS 25 -4.152 -12.821 5.274 191 H SER 26 HN SER 26 -6.994 -16.188 5.466 192 HA SER 26 HA SER 26 -8.906 -13.997 5.028 193 HG SER 26 HG SER 26 -8.057 -15.986 3.273 194 HB2 SER 26 2HB SER 26 -9.436 -16.978 5.020 195 HB3 SER 26 1HB SER 26 -10.561 -15.702 4.548 196 H ASP 27 HN ASP 27 -9.767 -13.129 6.782 197 HA ASP 27 HA ASP 27 -10.207 -14.823 9.149 198 HB2 ASP 27 2HB ASP 27 -9.011 -12.107 8.937 199 HB3 ASP 27 1HB ASP 27 -10.077 -12.411 10.303 200 H LYS 28 HN LYS 28 -11.560 -12.818 10.604 201 HA LYS 28 HA LYS 28 -14.201 -13.126 9.898 202 HB2 LYS 28 2HB LYS 28 -12.977 -10.774 11.360 203 HB3 LYS 28 1HB LYS 28 -14.669 -11.247 11.406 204 HG2 LYS 28 2HG LYS 28 -14.155 -13.259 12.575 205 HG3 LYS 28 1HG LYS 28 -12.422 -13.011 12.344 206 HD2 LYS 28 2HD LYS 28 -12.557 -10.966 13.709 207 HD3 LYS 28 1HD LYS 28 -14.275 -11.275 13.971 208 HE2 LYS 28 2HE LYS 28 -13.788 -13.315 15.137 209 HE3 LYS 28 1HE LYS 28 -12.075 -13.183 14.742 210 HZ1 LYS 28 3HZ LYS 28 -11.952 -11.182 16.091 211 HZ2 LYS 28 1HZ LYS 28 -12.512 -12.489 17.013 212 HZ3 LYS 28 2HZ LYS 28 -13.600 -11.305 16.471 213 H LYS 29 HN LYS 29 -15.582 -12.166 8.527 214 HA LYS 29 HA LYS 29 -14.461 -10.334 6.571 215 HB2 LYS 29 2HB LYS 29 -17.223 -11.562 6.671 216 HB3 LYS 29 1HB LYS 29 -16.481 -10.757 5.297 217 HG2 LYS 29 2HG LYS 29 -14.807 -12.532 5.154 218 HG3 LYS 29 1HG LYS 29 -15.547 -13.339 6.538 219 HD2 LYS 29 2HD LYS 29 -17.673 -13.463 5.232 220 HD3 LYS 29 1HD LYS 29 -16.792 -12.837 3.837 221 HE2 LYS 29 2HE LYS 29 -15.275 -14.761 3.945 222 HE3 LYS 29 1HE LYS 29 -16.166 -15.385 5.331 223 HZ1 LYS 29 3HZ LYS 29 -18.176 -15.279 3.753 224 HZ2 LYS 29 1HZ LYS 29 -17.057 -16.541 3.556 225 HZ3 LYS 29 2HZ LYS 29 -17.023 -15.208 2.512 226 H SER 30 HN SER 30 -14.497 -8.246 7.058 227 HA SER 30 HA SER 30 -17.044 -7.050 7.802 228 HG SER 30 HG SER 30 -16.374 -8.330 9.698 229 HB2 SER 30 2HB SER 30 -14.488 -6.405 9.298 230 HB3 SER 30 1HB SER 30 -16.086 -5.716 9.593 231 H GLU 31 HN GLU 31 -16.894 -6.515 5.550 232 HA GLU 31 HA GLU 31 -16.590 -5.080 3.840 233 HB2 GLU 31 2HB GLU 31 -15.809 -3.224 6.088 234 HB3 GLU 31 1HB GLU 31 -16.066 -2.704 4.425 235 HG2 GLU 31 2HG GLU 31 -18.372 -3.618 4.568 236 HG3 GLU 31 1HG GLU 31 -18.090 -3.938 6.277 237 H ARG 32 HN ARG 32 -14.438 -6.828 4.563 238 HA ARG 32 HA ARG 32 -12.330 -5.444 3.097 239 HE ARG 32 HE ARG 32 -11.877 -8.872 8.057 240 HB2 ARG 32 2HB ARG 32 -10.583 -6.492 4.487 241 HB3 ARG 32 1HB ARG 32 -11.579 -5.379 5.408 242 HG2 ARG 32 2HG ARG 32 -12.827 -7.292 6.323 243 HG3 ARG 32 1HG ARG 32 -11.756 -8.383 5.438 244 HD2 ARG 32 2HD ARG 32 -9.829 -7.454 6.640 245 HD3 ARG 32 1HD ARG 32 -10.904 -6.381 7.530 246 HH11 ARG 32 1HH1 ARG 32 -8.754 -7.320 8.385 247 HH12 ARG 32 2HH1 ARG 32 -8.256 -8.305 9.732 248 HH21 ARG 32 1HH2 ARG 32 -11.251 -10.144 9.846 249 HH22 ARG 32 2HH2 ARG 32 -9.684 -9.916 10.564 250 H TRP 33 HN TRP 33 -10.694 -7.132 2.282 251 HA TRP 33 HA TRP 33 -10.318 -8.837 0.842 252 HD1 TRP 33 1HD TRP 33 -9.934 -10.567 4.258 253 HE1 TRP 33 1HE TRP 33 -7.883 -12.098 3.904 254 HE3 TRP 33 3HE TRP 33 -10.629 -11.719 -0.671 255 HZ2 TRP 33 2HZ TRP 33 -6.728 -13.589 1.803 256 HZ3 TRP 33 3HZ TRP 33 -9.012 -13.202 -1.777 257 HH2 TRP 33 2HH TRP 33 -7.103 -14.117 -0.566 258 HB2 TRP 33 2HB TRP 33 -12.075 -10.043 2.844 259 HB3 TRP 33 1HB TRP 33 -12.214 -10.807 1.266 260 H PHE 34 HN PHE 34 -12.019 -10.554 -0.506 261 HA PHE 34 HA PHE 34 -13.465 -10.736 -2.241 262 HD1 PHE 34 2HD PHE 34 -15.671 -11.862 -1.736 263 HD2 PHE 34 1HD PHE 34 -15.343 -8.779 1.181 264 HE1 PHE 34 2HE PHE 34 -16.657 -13.356 -0.050 265 HE2 PHE 34 1HE PHE 34 -16.327 -10.269 2.871 266 HZ PHE 34 HZ PHE 34 -16.983 -12.561 2.256 267 HB2 PHE 34 2HB PHE 34 -14.797 -8.317 -1.007 268 HB3 PHE 34 1HB PHE 34 -15.482 -9.310 -2.291 269 H ARG 35 HN ARG 35 -11.341 -8.282 -1.945 270 HA ARG 35 HA ARG 35 -11.806 -7.377 -4.701 271 HE ARG 35 HE ARG 35 -13.512 -7.076 -4.903 272 HB2 ARG 35 2HB ARG 35 -10.855 -5.701 -2.370 273 HB3 ARG 35 1HB ARG 35 -10.868 -5.168 -4.043 274 HG2 ARG 35 2HG ARG 35 -13.359 -6.031 -2.603 275 HG3 ARG 35 1HG ARG 35 -12.761 -4.374 -2.568 276 HD2 ARG 35 2HD ARG 35 -14.323 -4.363 -4.292 277 HD3 ARG 35 1HD ARG 35 -12.783 -4.516 -5.128 278 HH11 ARG 35 1HH1 ARG 35 -15.269 -4.244 -5.977 279 HH12 ARG 35 2HH1 ARG 35 -16.362 -5.149 -6.982 280 HH21 ARG 35 1HH2 ARG 35 -14.905 -8.252 -6.288 281 HH22 ARG 35 2HH2 ARG 35 -16.140 -7.413 -7.172 282 HA PRO 36 HA PRO 36 -7.512 -9.052 -4.504 283 HB2 PRO 36 2HB PRO 36 -8.082 -10.052 -7.176 284 HB3 PRO 36 1HB PRO 36 -7.653 -10.956 -5.722 285 HG2 PRO 36 2HG PRO 36 -10.112 -11.071 -6.860 286 HG3 PRO 36 1HG PRO 36 -9.845 -11.278 -5.120 287 HD2 PRO 36 2HD PRO 36 -10.787 -8.860 -6.622 288 HD3 PRO 36 1HD PRO 36 -11.366 -9.522 -5.079 289 H ASN 37 HN ASN 37 -9.223 -6.844 -6.395 290 HA ASN 37 HA ASN 37 -6.902 -6.138 -8.037 291 HB2 ASN 37 2HB ASN 37 -9.297 -6.329 -8.945 292 HB3 ASN 37 1HB ASN 37 -9.615 -4.827 -8.083 293 HD21 ASN 37 1HD2 ASN 37 -10.084 -3.786 -9.997 294 HD22 ASN 37 2HD2 ASN 37 -8.844 -3.282 -11.094 295 H LEU 38 HN LEU 38 -8.156 -5.444 -5.066 296 HA LEU 38 HA LEU 38 -7.012 -2.727 -5.042 297 HG LEU 38 HG LEU 38 -9.754 -2.593 -5.612 298 HB2 LEU 38 2HB LEU 38 -9.299 -3.926 -3.516 299 HB3 LEU 38 1HB LEU 38 -8.442 -2.526 -2.900 300 HD11 LEU 38 1HD1 LEU 38 -11.546 -1.261 -4.572 301 HD12 LEU 38 2HD1 LEU 38 -10.817 -1.544 -2.991 302 HD13 LEU 38 3HD1 LEU 38 -11.465 -2.896 -3.918 303 HD21 LEU 38 3HD2 LEU 38 -7.977 -0.946 -5.359 304 HD22 LEU 38 1HD2 LEU 38 -8.736 -0.338 -3.887 305 HD23 LEU 38 2HD2 LEU 38 -9.551 -0.159 -5.438 306 H GLN 39 HN GLN 39 -5.391 -2.320 -3.680 307 HA GLN 39 HA GLN 39 -4.400 -4.463 -1.991 308 HB2 GLN 39 2HB GLN 39 -3.342 -1.870 -2.963 309 HB3 GLN 39 1HB GLN 39 -2.761 -2.429 -1.407 310 HG2 GLN 39 2HG GLN 39 -2.643 -4.061 -3.927 311 HG3 GLN 39 1HG GLN 39 -1.320 -3.062 -3.320 312 HE21 GLN 39 1HE2 GLN 39 -3.151 -5.973 -2.879 313 HE22 GLN 39 2HE2 GLN 39 -2.132 -6.668 -1.662 314 H LYS 40 HN LYS 40 -5.402 -4.706 -0.132 315 HA LYS 40 HA LYS 40 -6.528 -2.446 1.259 316 HB2 LYS 40 2HB LYS 40 -6.312 -5.377 1.997 317 HB3 LYS 40 1HB LYS 40 -7.048 -4.166 3.037 318 HG2 LYS 40 2HG LYS 40 -8.809 -5.254 1.924 319 HG3 LYS 40 1HG LYS 40 -8.652 -3.678 1.166 320 HD2 LYS 40 2HD LYS 40 -9.016 -5.440 -0.497 321 HD3 LYS 40 1HD LYS 40 -7.444 -4.668 -0.701 322 HE2 LYS 40 2HE LYS 40 -6.422 -6.559 0.551 323 HE3 LYS 40 1HE LYS 40 -8.002 -7.342 0.581 324 HZ1 LYS 40 3HZ LYS 40 -7.991 -7.417 -1.825 325 HZ2 LYS 40 1HZ LYS 40 -6.594 -8.162 -1.228 326 HZ3 LYS 40 2HZ LYS 40 -6.512 -6.605 -1.886 327 H VAL 41 HN VAL 41 -5.232 -1.153 2.280 328 HA VAL 41 HA VAL 41 -2.859 -2.275 3.618 329 HB VAL 41 HB VAL 41 -1.574 -0.269 2.978 330 HG11 VAL 41 1HG1 VAL 41 -2.714 -1.808 0.645 331 HG12 VAL 41 2HG1 VAL 41 -1.347 -2.296 1.647 332 HG13 VAL 41 3HG1 VAL 41 -1.222 -0.868 0.618 333 HG21 VAL 41 3HG2 VAL 41 -3.946 0.359 1.222 334 HG22 VAL 41 1HG2 VAL 41 -2.404 1.213 1.218 335 HG23 VAL 41 2HG2 VAL 41 -3.441 1.273 2.643 336 H ARG 42 HN ARG 42 -1.881 -0.773 5.189 337 HA ARG 42 HA ARG 42 -3.984 0.617 6.704 338 HE ARG 42 HE ARG 42 -2.818 -4.294 8.403 339 HB2 ARG 42 2HB ARG 42 -1.279 -0.344 7.686 340 HB3 ARG 42 1HB ARG 42 -2.566 0.331 8.669 341 HG2 ARG 42 2HG ARG 42 -2.717 -1.938 9.085 342 HG3 ARG 42 1HG ARG 42 -3.949 -1.686 7.848 343 HD2 ARG 42 2HD ARG 42 -2.437 -2.481 6.132 344 HD3 ARG 42 1HD ARG 42 -1.137 -2.636 7.313 345 HH11 ARG 42 1HH1 ARG 42 -2.255 -3.842 4.980 346 HH12 ARG 42 2HH1 ARG 42 -2.639 -5.480 4.562 347 HH21 ARG 42 1HH2 ARG 42 -3.352 -6.447 7.866 348 HH22 ARG 42 2HH2 ARG 42 -3.258 -6.959 6.205 349 H VAL 43 HN VAL 43 -3.874 2.799 6.761 350 HA VAL 43 HA VAL 43 -1.339 4.037 5.917 351 HB VAL 43 HB VAL 43 -2.598 6.004 5.251 352 HG11 VAL 43 1HG1 VAL 43 -3.882 5.056 3.383 353 HG12 VAL 43 2HG1 VAL 43 -3.781 3.465 4.133 354 HG13 VAL 43 3HG1 VAL 43 -2.315 4.275 3.582 355 HG21 VAL 43 3HG2 VAL 43 -5.071 4.508 6.111 356 HG22 VAL 43 1HG2 VAL 43 -5.030 6.073 5.299 357 HG23 VAL 43 2HG2 VAL 43 -4.373 5.907 6.927 358 H VAL 44 HN VAL 44 -0.660 5.959 6.971 359 HA VAL 44 HA VAL 44 -1.243 5.814 9.834 360 HB VAL 44 HB VAL 44 1.009 7.245 8.408 361 HG11 VAL 44 1HG1 VAL 44 0.573 6.674 11.339 362 HG12 VAL 44 2HG1 VAL 44 0.476 8.254 10.563 363 HG13 VAL 44 3HG1 VAL 44 2.018 7.403 10.640 364 HG21 VAL 44 3HG2 VAL 44 2.420 5.413 9.251 365 HG22 VAL 44 1HG2 VAL 44 1.185 4.839 8.130 366 HG23 VAL 44 2HG2 VAL 44 0.977 4.605 9.865 367 H LEU 45 HN LEU 45 -2.798 7.124 10.495 368 HA LEU 45 HA LEU 45 -3.457 9.587 9.221 369 HG LEU 45 HG LEU 45 -5.153 7.131 10.175 370 HB2 LEU 45 2HB LEU 45 -4.180 8.519 11.957 371 HB3 LEU 45 1HB LEU 45 -4.877 9.949 11.227 372 HD11 LEU 45 1HD1 LEU 45 -7.475 7.328 10.845 373 HD12 LEU 45 2HD1 LEU 45 -7.176 8.944 11.484 374 HD13 LEU 45 3HD1 LEU 45 -6.415 7.542 12.237 375 HD21 LEU 45 3HD2 LEU 45 -6.739 8.099 8.591 376 HD22 LEU 45 1HD2 LEU 45 -5.128 8.785 8.380 377 HD23 LEU 45 2HD2 LEU 45 -6.380 9.711 9.209 378 HA PRO 46 HA PRO 46 -0.439 12.289 10.992 379 HB2 PRO 46 2HB PRO 46 -2.638 14.265 11.208 380 HB3 PRO 46 1HB PRO 46 -1.085 14.396 10.376 381 HG2 PRO 46 2HG PRO 46 -3.340 14.068 8.995 382 HG3 PRO 46 1HG PRO 46 -1.847 13.249 8.500 383 HD2 PRO 46 2HD PRO 46 -4.221 12.152 9.955 384 HD3 PRO 46 1HD PRO 46 -3.246 11.408 8.671 385 H ASP 47 HN ASP 47 -3.362 11.467 12.564 386 HA ASP 47 HA ASP 47 -2.718 12.775 15.071 387 HB2 ASP 47 2HB ASP 47 -5.082 12.431 14.188 388 HB3 ASP 47 1HB ASP 47 -4.887 10.722 14.563 389 H GLY 48 HN GLY 48 -1.482 10.206 13.524 390 HA2 GLY 48 2HA GLY 48 0.036 8.641 14.307 391 HA3 GLY 48 1HA GLY 48 -0.375 9.108 15.950 392 H THR 49 HN THR 49 -2.672 8.077 13.507 393 HA THR 49 HA THR 49 -3.179 5.651 15.097 394 HB THR 49 HB THR 49 -5.400 6.715 13.466 395 HG1 THR 49 1HG THR 49 -5.559 8.051 15.749 396 HG21 THR 49 3HG2 THR 49 -5.191 5.721 16.312 397 HG22 THR 49 1HG2 THR 49 -5.667 4.763 14.910 398 HG23 THR 49 2HG2 THR 49 -6.692 6.088 15.464 399 H ILE 50 HN ILE 50 -3.737 3.769 13.947 400 HA ILE 50 HA ILE 50 -2.890 3.803 11.140 401 HB ILE 50 HB ILE 50 -3.292 1.467 13.023 402 HG12 ILE 50 2HG1 ILE 50 -0.779 2.757 11.938 403 HG13 ILE 50 1HG1 ILE 50 -1.352 2.842 13.603 404 HG21 ILE 50 1HG2 ILE 50 -2.224 0.121 11.265 405 HG22 ILE 50 2HG2 ILE 50 -2.225 1.529 10.204 406 HG23 ILE 50 3HG2 ILE 50 -3.753 0.819 10.728 407 HD11 ILE 50 3HD1 ILE 50 0.469 1.249 13.356 408 HD12 ILE 50 1HD1 ILE 50 -0.466 0.346 12.164 409 HD13 ILE 50 2HD1 ILE 50 -1.022 0.437 13.834 410 H LYS 51 HN LYS 51 -4.391 3.844 9.633 411 HA LYS 51 HA LYS 51 -7.025 2.656 10.218 412 HB2 LYS 51 2HB LYS 51 -7.130 5.100 10.277 413 HB3 LYS 51 1HB LYS 51 -6.446 5.189 8.664 414 HG2 LYS 51 2HG LYS 51 -8.420 4.301 7.694 415 HG3 LYS 51 1HG LYS 51 -9.061 3.837 9.274 416 HD2 LYS 51 2HD LYS 51 -9.198 6.187 9.920 417 HD3 LYS 51 1HD LYS 51 -8.534 6.663 8.359 418 HE2 LYS 51 2HE LYS 51 -11.091 5.104 8.664 419 HE3 LYS 51 1HE LYS 51 -11.035 6.864 8.598 420 HZ1 LYS 51 3HZ LYS 51 -11.471 6.163 6.420 421 HZ2 LYS 51 1HZ LYS 51 -10.302 4.933 6.476 422 HZ3 LYS 51 2HZ LYS 51 -9.821 6.560 6.417 423 H ARG 52 HN ARG 52 -7.645 1.165 8.829 424 HA ARG 52 HA ARG 52 -5.951 0.756 6.474 425 HE ARG 52 HE ARG 52 -9.360 -1.712 10.432 426 HB2 ARG 52 2HB ARG 52 -7.323 -1.528 6.520 427 HB3 ARG 52 1HB ARG 52 -5.869 -1.278 7.473 428 HG2 ARG 52 2HG ARG 52 -7.399 -2.279 8.923 429 HG3 ARG 52 1HG ARG 52 -7.396 -0.573 9.362 430 HD2 ARG 52 2HD ARG 52 -9.440 -0.258 8.010 431 HD3 ARG 52 1HD ARG 52 -9.460 -1.989 7.671 432 HH11 ARG 52 1HH1 ARG 52 -11.571 -0.948 7.816 433 HH12 ARG 52 2HH1 ARG 52 -12.985 -0.989 8.836 434 HH21 ARG 52 1HH2 ARG 52 -11.204 -1.769 11.763 435 HH22 ARG 52 2HH2 ARG 52 -12.773 -1.457 11.087 436 H MET 53 HN MET 53 -6.679 0.722 4.441 437 HA MET 53 HA MET 53 -9.550 0.954 3.940 438 HB2 MET 53 2HB MET 53 -7.511 2.974 2.975 439 HB3 MET 53 1HB MET 53 -9.179 2.895 2.426 440 HG2 MET 53 2HG MET 53 -9.913 3.305 4.753 441 HG3 MET 53 1HG MET 53 -8.221 3.506 5.208 442 HE1 MET 53 3HE MET 53 -7.044 4.973 2.660 443 HE2 MET 53 1HE MET 53 -6.674 5.472 4.309 444 HE3 MET 53 2HE MET 53 -7.206 6.668 3.124 445 H ARG 54 HN ARG 54 -9.998 0.940 1.575 446 HA ARG 54 HA ARG 54 -8.313 -1.032 0.248 447 HE ARG 54 HE ARG 54 -12.514 0.088 1.122 448 HB2 ARG 54 2HB ARG 54 -11.020 0.147 -0.387 449 HB3 ARG 54 1HB ARG 54 -10.205 -1.023 -1.412 450 HG2 ARG 54 2HG ARG 54 -10.503 -2.745 0.081 451 HG3 ARG 54 1HG ARG 54 -10.633 -1.663 1.467 452 HD2 ARG 54 2HD ARG 54 -12.703 -1.851 -0.714 453 HD3 ARG 54 1HD ARG 54 -12.770 -2.783 0.781 454 HH11 ARG 54 1HH1 ARG 54 -14.691 -2.653 0.929 455 HH12 ARG 54 2HH1 ARG 54 -16.000 -1.840 1.733 456 HH21 ARG 54 1HH2 ARG 54 -14.230 1.170 2.160 457 HH22 ARG 54 2HH2 ARG 54 -15.734 0.334 2.423 458 H VAL 55 HN VAL 55 -6.657 -0.277 -0.898 459 HA VAL 55 HA VAL 55 -7.012 2.277 -2.346 460 HB VAL 55 HB VAL 55 -4.436 1.327 -1.075 461 HG11 VAL 55 1HG1 VAL 55 -3.642 3.600 -1.529 462 HG12 VAL 55 2HG1 VAL 55 -5.163 3.962 -2.344 463 HG13 VAL 55 3HG1 VAL 55 -4.074 2.747 -3.010 464 HG21 VAL 55 3HG2 VAL 55 -4.766 3.117 0.568 465 HG22 VAL 55 1HG2 VAL 55 -6.032 1.892 0.663 466 HG23 VAL 55 2HG2 VAL 55 -6.359 3.441 -0.117 467 H CYS 56 HN CYS 56 -5.855 2.476 -4.336 468 HA CYS 56 HA CYS 56 -5.430 -0.101 -5.623 469 HG CYS 56 HG CYS 56 -4.810 3.786 -7.777 470 HB2 CYS 56 2HB CYS 56 -5.321 1.284 -7.713 471 HB3 CYS 56 1HB CYS 56 -6.843 1.411 -6.839 472 H THR 57 HN THR 57 -3.537 -0.664 -6.689 473 HA THR 57 HA THR 57 -1.135 -0.085 -5.404 474 HB THR 57 HB THR 57 -1.317 -1.060 -8.254 475 HG1 THR 57 1HG THR 57 -1.773 -3.117 -7.361 476 HG21 THR 57 3HG2 THR 57 0.935 -0.756 -7.329 477 HG22 THR 57 1HG2 THR 57 0.574 -2.466 -7.578 478 HG23 THR 57 2HG2 THR 57 0.511 -1.778 -5.958 479 H SER 58 HN SER 58 -2.647 1.533 -8.119 480 HA SER 58 HA SER 58 -0.413 2.899 -9.118 481 HG SER 58 HG SER 58 -4.341 3.384 -9.771 482 HB2 SER 58 2HB SER 58 -2.230 4.585 -9.868 483 HB3 SER 58 1HB SER 58 -2.318 2.935 -10.484 484 H CYS 59 HN CYS 59 -2.712 3.763 -6.558 485 HA CYS 59 HA CYS 59 -1.531 6.278 -5.961 486 HG CYS 59 HG CYS 59 -3.811 7.385 -6.148 487 HB2 CYS 59 2HB CYS 59 -3.421 4.444 -4.500 488 HB3 CYS 59 1HB CYS 59 -2.841 5.926 -3.763 489 H LEU 60 HN LEU 60 -1.061 3.000 -4.870 490 HA LEU 60 HA LEU 60 0.437 3.425 -2.569 491 HG LEU 60 HG LEU 60 -1.602 1.255 -3.368 492 HB2 LEU 60 2HB LEU 60 0.491 1.195 -4.585 493 HB3 LEU 60 1HB LEU 60 1.396 1.142 -3.092 494 HD11 LEU 60 1HD1 LEU 60 0.277 -0.873 -2.357 495 HD12 LEU 60 2HD1 LEU 60 -0.633 -0.913 -3.868 496 HD13 LEU 60 3HD1 LEU 60 -1.484 -0.962 -2.324 497 HD21 LEU 60 3HD2 LEU 60 -1.674 1.084 -0.939 498 HD22 LEU 60 1HD2 LEU 60 -0.840 2.559 -1.430 499 HD23 LEU 60 2HD2 LEU 60 0.086 1.167 -0.867 500 H LYS 61 HN LYS 61 1.599 2.933 -5.904 501 HA LYS 61 HA LYS 61 4.332 3.269 -5.062 502 HB2 LYS 61 2HB LYS 61 4.941 2.850 -7.345 503 HB3 LYS 61 1HB LYS 61 3.679 1.718 -6.888 504 HG2 LYS 61 2HG LYS 61 2.029 3.038 -8.076 505 HG3 LYS 61 1HG LYS 61 3.268 4.227 -8.496 506 HD2 LYS 61 2HD LYS 61 4.522 2.301 -9.581 507 HD3 LYS 61 1HD LYS 61 3.031 1.374 -9.410 508 HE2 LYS 61 2HE LYS 61 3.228 2.385 -11.631 509 HE3 LYS 61 1HE LYS 61 1.836 3.006 -10.746 510 HZ1 LYS 61 3HZ LYS 61 4.349 4.485 -10.520 511 HZ2 LYS 61 1HZ LYS 61 2.755 5.058 -10.557 512 HZ3 LYS 61 2HZ LYS 61 3.521 4.588 -11.994 513 H SER 62 HN SER 62 1.848 5.352 -6.312 514 HA SER 62 HA SER 62 3.636 7.439 -7.104 515 HG SER 62 HG SER 62 0.739 6.428 -8.250 516 HB2 SER 62 2HB SER 62 0.687 7.558 -6.430 517 HB3 SER 62 1HB SER 62 1.611 8.858 -7.180 518 H GLY 63 HN GLY 63 2.086 6.462 -4.142 519 HA2 GLY 63 2HA GLY 63 2.703 6.955 -1.984 520 HA3 GLY 63 1HA GLY 63 3.995 7.953 -2.628 521 H LYS 64 HN LYS 64 0.650 8.467 -3.495 522 HA LYS 64 HA LYS 64 0.772 11.157 -2.476 523 HB2 LYS 64 2HB LYS 64 -0.398 10.487 -4.608 524 HB3 LYS 64 1HB LYS 64 -1.622 9.699 -3.621 525 HG2 LYS 64 2HG LYS 64 -2.138 11.865 -2.574 526 HG3 LYS 64 1HG LYS 64 -0.952 12.636 -3.626 527 HD2 LYS 64 2HD LYS 64 -2.231 11.870 -5.587 528 HD3 LYS 64 1HD LYS 64 -3.436 11.165 -4.507 529 HE2 LYS 64 2HE LYS 64 -4.210 13.317 -5.279 530 HE3 LYS 64 1HE LYS 64 -3.845 13.407 -3.557 531 HZ1 LYS 64 3HZ LYS 64 -1.723 14.439 -4.104 532 HZ2 LYS 64 1HZ LYS 64 -3.016 15.339 -4.729 533 HZ3 LYS 64 2HZ LYS 64 -2.090 14.356 -5.756 534 H VAL 65 HN VAL 65 -0.154 8.129 -1.293 535 HA VAL 65 HA VAL 65 -1.952 9.231 0.737 536 HB VAL 65 HB VAL 65 -2.474 6.910 1.301 537 HG11 VAL 65 1HG1 VAL 65 -3.575 6.263 -0.783 538 HG12 VAL 65 2HG1 VAL 65 -2.585 7.426 -1.668 539 HG13 VAL 65 3HG1 VAL 65 -3.749 7.991 -0.467 540 HG21 VAL 65 3HG2 VAL 65 -1.577 5.053 -0.037 541 HG22 VAL 65 1HG2 VAL 65 -0.315 5.879 0.877 542 HG23 VAL 65 2HG2 VAL 65 -0.489 6.177 -0.853 543 H LYS 66 HN LYS 66 -1.660 8.478 2.989 544 HA LYS 66 HA LYS 66 1.100 8.773 3.790 545 HB2 LYS 66 2HB LYS 66 -1.538 8.789 5.157 546 HB3 LYS 66 1HB LYS 66 -0.134 8.348 6.120 547 HG2 LYS 66 2HG LYS 66 -0.206 10.851 4.465 548 HG3 LYS 66 1HG LYS 66 -0.823 10.792 6.119 549 HD2 LYS 66 2HD LYS 66 1.353 10.062 6.926 550 HD3 LYS 66 1HD LYS 66 1.984 10.044 5.278 551 HE2 LYS 66 2HE LYS 66 0.872 12.506 6.599 552 HE3 LYS 66 1HE LYS 66 2.576 12.062 6.669 553 HZ1 LYS 66 3HZ LYS 66 2.755 12.257 4.321 554 HZ2 LYS 66 1HZ LYS 66 2.003 13.665 4.885 555 HZ3 LYS 66 2HZ LYS 66 1.084 12.457 4.128 556 H LYS 67 HN LYS 67 1.734 6.774 2.705 557 HA LYS 67 HA LYS 67 0.887 4.284 3.898 558 HB2 LYS 67 2HB LYS 67 2.529 3.278 2.302 559 HB3 LYS 67 1HB LYS 67 1.286 4.253 1.531 560 HG2 LYS 67 2HG LYS 67 2.851 6.098 1.291 561 HG3 LYS 67 1HG LYS 67 4.095 5.168 2.129 562 HD2 LYS 67 2HD LYS 67 4.090 3.512 0.352 563 HD3 LYS 67 1HD LYS 67 2.792 4.376 -0.476 564 HE2 LYS 67 2HE LYS 67 4.251 6.308 -0.774 565 HE3 LYS 67 1HE LYS 67 5.541 5.484 0.099 566 HZ1 LYS 67 3HZ LYS 67 5.765 5.407 -2.353 567 HZ2 LYS 67 1HZ LYS 67 4.344 4.480 -2.430 568 HZ3 LYS 67 2HZ LYS 67 5.714 3.871 -1.632 569 H TYR 68 HN TYR 68 2.038 3.034 5.304 570 HA TYR 68 HA TYR 68 4.222 4.281 6.696 571 HD1 TYR 68 2HD TYR 68 4.072 4.333 9.284 572 HD2 TYR 68 1HD TYR 68 4.747 0.275 8.204 573 HE1 TYR 68 2HE TYR 68 5.638 4.098 11.167 574 HE2 TYR 68 1HE TYR 68 6.314 0.031 10.078 575 HH TYR 68 HH TYR 68 7.782 1.518 11.451 576 HB2 TYR 68 2HB TYR 68 2.433 2.920 7.824 577 HB3 TYR 68 1HB TYR 68 3.117 1.486 7.068 578 H VAL 69 HN VAL 69 3.966 2.532 3.949 579 HA VAL 69 HA VAL 69 5.401 1.522 2.511 580 HB VAL 69 HB VAL 69 7.575 2.687 4.263 581 HG11 VAL 69 1HG1 VAL 69 7.628 1.707 1.411 582 HG12 VAL 69 2HG1 VAL 69 8.439 0.970 2.793 583 HG13 VAL 69 3HG1 VAL 69 8.944 2.558 2.218 584 HG21 VAL 69 3HG2 VAL 69 6.246 3.839 1.810 585 HG22 VAL 69 1HG2 VAL 69 7.604 4.549 2.685 586 HG23 VAL 69 2HG2 VAL 69 6.028 4.406 3.466 587 H GLY 70 HN GLY 70 4.914 -0.594 2.872 588 HA2 GLY 70 2HA GLY 70 6.884 -2.094 4.448 589 HA3 GLY 70 1HA GLY 70 5.176 -2.345 4.783 590 H GLN 71 HN GLN 71 7.675 -2.611 2.345 591 HA GLN 71 HA GLN 71 7.977 -3.968 0.571 592 HB2 GLN 71 2HB GLN 71 6.018 -5.728 2.050 593 HB3 GLN 71 1HB GLN 71 6.872 -6.225 0.599 594 HG2 GLN 71 2HG GLN 71 8.179 -7.129 2.252 595 HG3 GLN 71 1HG GLN 71 9.003 -5.608 1.920 596 HE21 GLN 71 1HE2 GLN 71 6.029 -6.012 3.782 597 HE22 GLN 71 2HE2 GLN 71 6.703 -5.496 5.288 598 H VAL 72 HN VAL 72 7.127 -2.450 -0.851 599 HA VAL 72 HA VAL 72 4.345 -2.894 -1.703 600 HB VAL 72 HB VAL 72 4.934 -0.596 -0.910 601 HG11 VAL 72 1HG1 VAL 72 6.292 0.849 -2.343 602 HG12 VAL 72 2HG1 VAL 72 6.699 -0.541 -3.349 603 HG13 VAL 72 3HG1 VAL 72 7.225 -0.483 -1.668 604 HG21 VAL 72 3HG2 VAL 72 3.913 0.609 -2.789 605 HG22 VAL 72 1HG2 VAL 72 3.063 -0.889 -2.411 606 HG23 VAL 72 2HG2 VAL 72 4.139 -0.814 -3.808 607 H SER 73 HN SER 73 3.903 -2.925 -3.979 608 HA SER 73 HA SER 73 6.231 -3.517 -5.674 609 HG SER 73 HG SER 73 6.073 -5.137 -7.133 610 HB2 SER 73 2HB SER 73 4.906 -5.573 -4.958 611 HB3 SER 73 1HB SER 73 3.562 -4.929 -5.900 612 H GLU 74 HN GLU 74 6.225 -2.512 -7.633 613 HA GLU 74 HA GLU 74 4.170 -0.541 -8.101 614 HB2 GLU 74 2HB GLU 74 6.550 -1.219 -9.835 615 HB3 GLU 74 1HB GLU 74 5.559 0.228 -9.938 616 HG2 GLU 74 2HG GLU 74 7.185 1.140 -8.710 617 HG3 GLU 74 1HG GLU 74 6.360 0.358 -7.363 618 H VAL 75 HN VAL 75 5.108 -3.630 -9.363 619 HA VAL 75 HA VAL 75 4.252 -5.039 -10.916 620 HB VAL 75 HB VAL 75 1.690 -3.466 -10.606 621 HG11 VAL 75 1HG1 VAL 75 2.182 -6.304 -11.503 622 HG12 VAL 75 2HG1 VAL 75 1.704 -4.958 -12.536 623 HG13 VAL 75 3HG1 VAL 75 0.602 -5.547 -11.290 624 HG21 VAL 75 3HG2 VAL 75 1.083 -5.123 -8.903 625 HG22 VAL 75 1HG2 VAL 75 2.509 -4.198 -8.430 626 HG23 VAL 75 2HG2 VAL 75 2.686 -5.846 -9.037 627 H GLY 76 HN GLY 76 5.594 -4.315 -12.588 628 HA2 GLY 76 2HA GLY 76 4.269 -3.445 -14.921 629 HA3 GLY 76 1HA GLY 76 5.146 -2.092 -14.222 630 H SER 77 HN SER 77 6.078 -5.499 -14.225 631 HA SER 77 HA SER 77 8.485 -4.741 -15.742 632 HG SER 77 HG SER 77 10.368 -5.999 -15.189 633 HB2 SER 77 2HB SER 77 8.806 -5.663 -13.424 634 HB3 SER 77 1HB SER 77 8.078 -7.171 -13.973 Start of MODEL 9 1 HA GLN 1 HA GLN 1 -11.607 12.698 3.496 2 H1 GLN 1 1HT GLN 1 -12.691 14.656 4.367 3 H2 GLN 1 2HT GLN 1 -13.398 13.739 5.608 4 H3 GLN 1 3HT GLN 1 -13.819 13.447 3.986 5 HB2 GLN 1 2HB GLN 1 -11.119 13.143 6.453 6 HB3 GLN 1 1HB GLN 1 -10.015 12.316 5.365 7 HG2 GLN 1 2HG GLN 1 -9.146 14.471 5.618 8 HG3 GLN 1 1HG GLN 1 -9.916 14.468 4.038 9 HE21 GLN 1 1HE2 GLN 1 -10.062 15.651 7.303 10 HE22 GLN 1 2HE2 GLN 1 -11.249 16.886 7.018 11 H GLY 2 HN GLY 2 -12.846 10.922 2.972 12 HA2 GLY 2 2HA GLY 2 -13.519 8.737 3.177 13 HA3 GLY 2 1HA GLY 2 -12.610 8.672 4.681 14 H HIS 3 HN HIS 3 -15.321 10.804 3.914 15 HA HIS 3 HA HIS 3 -16.633 9.909 6.350 16 HD1 HIS 3 1HD HIS 3 -19.830 12.687 4.855 17 HD2 HIS 3 2HD HIS 3 -17.891 11.432 8.323 18 HE1 HIS 3 1HE HIS 3 -21.525 12.905 6.708 19 HE2 HIS 3 2HE HIS 3 -20.370 12.043 8.779 20 HB2 HIS 3 2HB HIS 3 -16.427 12.340 5.811 21 HB3 HIS 3 1HB HIS 3 -17.475 12.084 4.422 22 H MET 4 HN MET 4 -16.877 9.478 2.940 23 HA MET 4 HA MET 4 -18.995 7.557 3.293 24 HB2 MET 4 2HB MET 4 -20.274 9.656 3.113 25 HB3 MET 4 1HB MET 4 -19.495 9.997 1.575 26 HG2 MET 4 2HG MET 4 -20.527 8.023 0.599 27 HG3 MET 4 1HG MET 4 -21.284 7.644 2.146 28 HE1 MET 4 3HE MET 4 -23.764 10.634 2.610 29 HE2 MET 4 1HE MET 4 -22.116 10.491 3.222 30 HE3 MET 4 2HE MET 4 -23.196 9.099 3.267 31 H ILE 5 HN ILE 5 -18.306 5.897 2.137 32 HA ILE 5 HA ILE 5 -16.710 6.405 -0.273 33 HB ILE 5 HB ILE 5 -16.949 3.847 1.337 34 HG12 ILE 5 2HG1 ILE 5 -14.441 4.392 1.728 35 HG13 ILE 5 1HG1 ILE 5 -14.883 6.034 1.281 36 HG21 ILE 5 1HG2 ILE 5 -15.114 3.026 -0.048 37 HG22 ILE 5 2HG2 ILE 5 -15.140 4.520 -0.980 38 HG23 ILE 5 3HG2 ILE 5 -16.523 3.430 -1.030 39 HD11 ILE 5 3HD1 ILE 5 -16.027 4.449 3.568 40 HD12 ILE 5 1HD1 ILE 5 -16.501 6.085 3.113 41 HD13 ILE 5 2HD1 ILE 5 -14.861 5.767 3.687 42 H MET 6 HN MET 6 -17.834 6.342 -2.093 43 HA MET 6 HA MET 6 -19.967 4.327 -2.334 44 HB2 MET 6 2HB MET 6 -21.158 5.780 -3.854 45 HB3 MET 6 1HB MET 6 -20.833 6.655 -2.366 46 HG2 MET 6 2HG MET 6 -19.161 6.919 -4.852 47 HG3 MET 6 1HG MET 6 -20.529 7.959 -4.475 48 HE1 MET 6 3HE MET 6 -19.336 9.840 -1.282 49 HE2 MET 6 1HE MET 6 -20.353 8.406 -1.395 50 HE3 MET 6 2HE MET 6 -20.572 9.733 -2.535 51 H ALA 7 HN ALA 7 -20.081 3.119 -4.178 52 HA ALA 7 HA ALA 7 -19.362 1.977 -5.998 53 HB1 ALA 7 1HB ALA 7 -19.522 4.144 -7.134 54 HB2 ALA 7 2HB ALA 7 -18.221 3.143 -7.786 55 HB3 ALA 7 3HB ALA 7 -17.845 4.485 -6.699 56 H LYS 8 HN LYS 8 -17.193 1.352 -7.218 57 HA LYS 8 HA LYS 8 -15.341 0.641 -5.084 58 HB2 LYS 8 2HB LYS 8 -16.117 -1.225 -6.397 59 HB3 LYS 8 1HB LYS 8 -15.667 -0.425 -7.894 60 HG2 LYS 8 2HG LYS 8 -13.395 -0.781 -7.551 61 HG3 LYS 8 1HG LYS 8 -13.605 -1.086 -5.828 62 HD2 LYS 8 2HD LYS 8 -13.117 -3.118 -7.209 63 HD3 LYS 8 1HD LYS 8 -14.589 -3.217 -6.244 64 HE2 LYS 8 2HE LYS 8 -14.947 -4.115 -8.479 65 HE3 LYS 8 1HE LYS 8 -15.927 -2.678 -8.213 66 HZ1 LYS 8 3HZ LYS 8 -14.468 -1.395 -9.545 67 HZ2 LYS 8 1HZ LYS 8 -14.826 -2.798 -10.418 68 HZ3 LYS 8 2HZ LYS 8 -13.324 -2.640 -9.645 69 H ARG 9 HN ARG 9 -14.541 2.815 -4.956 70 HA ARG 9 HA ARG 9 -12.523 3.430 -7.014 71 HE ARG 9 HE ARG 9 -16.184 6.538 -8.267 72 HB2 ARG 9 2HB ARG 9 -13.591 5.208 -4.816 73 HB3 ARG 9 1HB ARG 9 -12.567 5.691 -6.161 74 HG2 ARG 9 2HG ARG 9 -15.252 4.506 -6.678 75 HG3 ARG 9 1HG ARG 9 -15.098 6.192 -6.208 76 HD2 ARG 9 2HD ARG 9 -13.424 6.425 -8.097 77 HD3 ARG 9 1HD ARG 9 -13.948 4.826 -8.625 78 HH11 ARG 9 1HH1 ARG 9 -13.502 5.963 -10.438 79 HH12 ARG 9 2HH1 ARG 9 -14.318 6.600 -11.835 80 HH21 ARG 9 1HH2 ARG 9 -17.265 7.398 -10.103 81 HH22 ARG 9 2HH2 ARG 9 -16.446 7.437 -11.637 82 H CYS 10 HN CYS 10 -10.543 4.549 -5.984 83 HA CYS 10 HA CYS 10 -9.588 3.089 -3.687 84 HG CYS 10 HG CYS 10 -7.300 3.580 -2.523 85 HB2 CYS 10 2HB CYS 10 -8.042 3.885 -5.480 86 HB3 CYS 10 1HB CYS 10 -8.406 5.543 -5.016 87 H GLU 11 HN GLU 11 -9.840 3.679 -1.604 88 HA GLU 11 HA GLU 11 -11.748 5.671 -0.995 89 HB2 GLU 11 2HB GLU 11 -9.879 4.157 0.827 90 HB3 GLU 11 1HB GLU 11 -11.216 5.157 1.380 91 HG2 GLU 11 2HG GLU 11 -12.775 3.707 0.154 92 HG3 GLU 11 1HG GLU 11 -11.419 2.688 -0.324 93 H VAL 12 HN VAL 12 -8.417 5.937 -1.503 94 HA VAL 12 HA VAL 12 -8.098 8.255 0.237 95 HB VAL 12 HB VAL 12 -6.086 6.927 -1.590 96 HG11 VAL 12 1HG1 VAL 12 -5.547 9.269 -1.119 97 HG12 VAL 12 2HG1 VAL 12 -4.415 8.183 -0.310 98 HG13 VAL 12 3HG1 VAL 12 -5.701 8.963 0.612 99 HG21 VAL 12 3HG2 VAL 12 -6.780 5.401 0.151 100 HG22 VAL 12 1HG2 VAL 12 -6.546 6.644 1.379 101 HG23 VAL 12 2HG2 VAL 12 -5.158 5.994 0.508 102 H CYS 13 HN CYS 13 -7.359 7.577 -3.204 103 HA CYS 13 HA CYS 13 -7.355 10.449 -3.687 104 HG CYS 13 HG CYS 13 -4.327 10.293 -4.088 105 HB2 CYS 13 2HB CYS 13 -6.561 8.170 -5.506 106 HB3 CYS 13 1HB CYS 13 -6.313 9.884 -5.827 107 H GLY 14 HN GLY 14 -9.406 7.742 -4.220 108 HA2 GLY 14 2HA GLY 14 -11.583 7.809 -5.073 109 HA3 GLY 14 1HA GLY 14 -11.258 9.412 -5.717 110 H LYS 15 HN LYS 15 -8.681 7.640 -6.615 111 HA LYS 15 HA LYS 15 -9.442 7.501 -9.340 112 HB2 LYS 15 2HB LYS 15 -7.081 6.306 -7.876 113 HB3 LYS 15 1HB LYS 15 -7.271 6.273 -9.623 114 HG2 LYS 15 2HG LYS 15 -7.079 8.753 -7.925 115 HG3 LYS 15 1HG LYS 15 -5.774 8.066 -8.897 116 HD2 LYS 15 2HD LYS 15 -7.237 8.353 -10.909 117 HD3 LYS 15 1HD LYS 15 -8.385 9.213 -9.879 118 HE2 LYS 15 2HE LYS 15 -6.977 10.785 -11.073 119 HE3 LYS 15 1HE LYS 15 -6.653 10.863 -9.342 120 HZ1 LYS 15 3HZ LYS 15 -4.637 10.879 -10.768 121 HZ2 LYS 15 1HZ LYS 15 -5.008 9.300 -11.261 122 HZ3 LYS 15 2HZ LYS 15 -4.651 9.621 -9.631 123 H ALA 16 HN ALA 16 -9.357 5.518 -10.669 124 HA ALA 16 HA ALA 16 -10.986 3.452 -9.464 125 HB1 ALA 16 1HB ALA 16 -11.132 2.554 -11.747 126 HB2 ALA 16 2HB ALA 16 -9.978 3.774 -12.293 127 HB3 ALA 16 3HB ALA 16 -11.562 4.264 -11.686 128 HA PRO 17 HA PRO 17 -7.515 0.775 -8.877 129 HB2 PRO 17 2HB PRO 17 -8.832 -1.357 -7.924 130 HB3 PRO 17 1HB PRO 17 -8.732 0.156 -7.023 131 HG2 PRO 17 2HG PRO 17 -11.016 -1.012 -8.492 132 HG3 PRO 17 1HG PRO 17 -11.008 0.081 -7.100 133 HD2 PRO 17 2HD PRO 17 -11.395 0.762 -9.839 134 HD3 PRO 17 1HD PRO 17 -11.272 1.867 -8.457 135 H ARG 18 HN ARG 18 -6.741 0.412 -10.977 136 HA ARG 18 HA ARG 18 -7.382 -2.244 -11.997 137 HE ARG 18 HE ARG 18 -8.440 -1.838 -15.806 138 HB2 ARG 18 2HB ARG 18 -7.416 0.272 -13.671 139 HB3 ARG 18 1HB ARG 18 -7.250 -1.338 -14.362 140 HG2 ARG 18 2HG ARG 18 -9.421 -1.960 -13.380 141 HG3 ARG 18 1HG ARG 18 -9.592 -0.318 -12.760 142 HD2 ARG 18 2HD ARG 18 -10.832 -0.638 -14.848 143 HD3 ARG 18 1HD ARG 18 -9.556 0.565 -15.022 144 HH11 ARG 18 1HH1 ARG 18 -11.190 0.093 -16.813 145 HH12 ARG 18 2HH1 ARG 18 -11.022 -0.322 -18.489 146 HH21 ARG 18 1HH2 ARG 18 -8.246 -2.423 -17.991 147 HH22 ARG 18 2HH2 ARG 18 -9.340 -1.760 -19.170 148 H SER 19 HN SER 19 -5.615 -3.345 -12.664 149 HA SER 19 HA SER 19 -3.122 -1.899 -13.137 150 HG SER 19 HG SER 19 -2.756 -1.409 -10.750 151 HB2 SER 19 2HB SER 19 -3.360 -4.165 -11.137 152 HB3 SER 19 1HB SER 19 -1.866 -3.348 -11.607 153 H GLY 20 HN GLY 20 -4.153 -5.295 -12.687 154 HA2 GLY 20 2HA GLY 20 -4.228 -6.083 -15.331 155 HA3 GLY 20 1HA GLY 20 -2.545 -6.231 -14.838 156 H ASN 21 HN ASN 21 -2.918 -8.543 -15.289 157 HA ASN 21 HA ASN 21 -3.659 -9.882 -12.814 158 HB2 ASN 21 2HB ASN 21 -5.750 -9.895 -14.105 159 HB3 ASN 21 1HB ASN 21 -4.913 -10.642 -15.462 160 HD21 ASN 21 1HD2 ASN 21 -6.164 -11.100 -12.256 161 HD22 ASN 21 2HD2 ASN 21 -6.094 -12.833 -12.259 162 H THR 22 HN THR 22 -1.955 -11.081 -12.345 163 HA THR 22 HA THR 22 -0.949 -12.976 -14.292 164 HB THR 22 HB THR 22 0.919 -11.005 -12.949 165 HG1 THR 22 1HG THR 22 -0.396 -10.942 -15.309 166 HG21 THR 22 3HG2 THR 22 1.501 -13.299 -14.831 167 HG22 THR 22 1HG2 THR 22 1.908 -13.237 -13.118 168 HG23 THR 22 2HG2 THR 22 2.681 -12.125 -14.248 169 H VAL 23 HN VAL 23 -0.650 -14.877 -13.307 170 HA VAL 23 HA VAL 23 -0.650 -14.897 -10.370 171 HB VAL 23 HB VAL 23 -1.334 -17.257 -10.539 172 HG11 VAL 23 1HG1 VAL 23 -3.595 -16.868 -11.387 173 HG12 VAL 23 2HG1 VAL 23 -3.050 -15.376 -12.157 174 HG13 VAL 23 3HG1 VAL 23 -3.036 -15.519 -10.398 175 HG21 VAL 23 3HG2 VAL 23 -1.348 -16.754 -13.516 176 HG22 VAL 23 1HG2 VAL 23 -2.003 -18.187 -12.719 177 HG23 VAL 23 2HG2 VAL 23 -0.273 -17.847 -12.644 178 H SER 24 HN SER 24 1.398 -15.378 -13.010 179 HA SER 24 HA SER 24 3.012 -17.495 -12.075 180 HG SER 24 HG SER 24 1.940 -16.416 -14.708 181 HB2 SER 24 2HB SER 24 3.727 -15.233 -13.952 182 HB3 SER 24 1HB SER 24 4.611 -16.748 -13.776 183 H HIS 25 HN HIS 25 4.090 -17.494 -10.254 184 HA HIS 25 HA HIS 25 5.545 -16.970 -8.601 185 HD1 HIS 25 1HD HIS 25 7.377 -16.207 -12.552 186 HD2 HIS 25 2HD HIS 25 8.018 -18.222 -8.966 187 HE1 HIS 25 1HE HIS 25 8.638 -18.302 -13.159 188 HE2 HIS 25 2HE HIS 25 8.920 -19.559 -10.990 189 HB2 HIS 25 2HB HIS 25 6.528 -14.942 -10.613 190 HB3 HIS 25 1HB HIS 25 7.341 -15.303 -9.095 191 H SER 26 HN SER 26 2.930 -15.506 -8.918 192 HA SER 26 HA SER 26 3.511 -13.012 -7.521 193 HG SER 26 HG SER 26 1.081 -12.734 -10.176 194 HB2 SER 26 2HB SER 26 0.847 -14.133 -8.422 195 HB3 SER 26 1HB SER 26 1.155 -12.494 -7.848 196 H ASP 27 HN ASP 27 2.466 -16.235 -6.856 197 HA ASP 27 HA ASP 27 1.829 -15.489 -4.101 198 HB2 ASP 27 2HB ASP 27 -0.330 -15.485 -5.103 199 HB3 ASP 27 1HB ASP 27 -0.002 -16.976 -5.982 200 H LYS 28 HN LYS 28 2.001 -17.142 -2.578 201 HA LYS 28 HA LYS 28 3.430 -19.554 -3.482 202 HB2 LYS 28 2HB LYS 28 3.418 -18.330 -0.719 203 HB3 LYS 28 1HB LYS 28 4.388 -19.690 -1.258 204 HG2 LYS 28 2HG LYS 28 5.632 -18.224 -2.754 205 HG3 LYS 28 1HG LYS 28 4.644 -16.852 -2.232 206 HD2 LYS 28 2HD LYS 28 5.411 -17.226 0.088 207 HD3 LYS 28 1HD LYS 28 6.452 -18.527 -0.491 208 HE2 LYS 28 2HE LYS 28 7.670 -16.927 -1.886 209 HE3 LYS 28 1HE LYS 28 6.626 -15.630 -1.303 210 HZ1 LYS 28 3HZ LYS 28 8.584 -15.531 -0.024 211 HZ2 LYS 28 1HZ LYS 28 8.598 -17.204 0.249 212 HZ3 LYS 28 2HZ LYS 28 7.422 -16.235 0.990 213 H LYS 29 HN LYS 29 1.034 -18.337 -1.147 214 HA LYS 29 HA LYS 29 -0.344 -20.880 -1.124 215 HB2 LYS 29 2HB LYS 29 1.611 -21.129 0.451 216 HB3 LYS 29 1HB LYS 29 0.901 -19.858 1.434 217 HG2 LYS 29 2HG LYS 29 -1.119 -21.272 1.703 218 HG3 LYS 29 1HG LYS 29 -0.278 -22.565 0.847 219 HD2 LYS 29 2HD LYS 29 1.468 -22.551 2.567 220 HD3 LYS 29 1HD LYS 29 0.608 -21.264 3.417 221 HE2 LYS 29 2HE LYS 29 0.119 -23.398 4.445 222 HE3 LYS 29 1HE LYS 29 -1.330 -22.753 3.672 223 HZ1 LYS 29 3HZ LYS 29 -0.847 -24.205 1.752 224 HZ2 LYS 29 1HZ LYS 29 -1.134 -25.073 3.182 225 HZ3 LYS 29 2HZ LYS 29 0.449 -24.882 2.619 226 H SER 30 HN SER 30 -0.908 -17.974 -1.640 227 HA SER 30 HA SER 30 -2.814 -17.405 0.508 228 HG SER 30 HG SER 30 -2.857 -14.456 0.453 229 HB2 SER 30 2HB SER 30 -1.274 -15.588 -0.317 230 HB3 SER 30 1HB SER 30 -2.113 -15.659 -1.868 231 H GLU 31 HN GLU 31 -5.002 -16.741 -0.107 232 HA GLU 31 HA GLU 31 -5.938 -17.983 -2.608 233 HB2 GLU 31 2HB GLU 31 -6.358 -19.360 -0.488 234 HB3 GLU 31 1HB GLU 31 -7.463 -18.086 0.000 235 HG2 GLU 31 2HG GLU 31 -7.808 -19.406 -2.654 236 HG3 GLU 31 1HG GLU 31 -8.348 -20.220 -1.188 237 H ARG 32 HN ARG 32 -6.694 -15.789 0.061 238 HA ARG 32 HA ARG 32 -7.454 -13.752 -1.838 239 HE ARG 32 HE ARG 32 -11.087 -16.817 1.851 240 HB2 ARG 32 2HB ARG 32 -9.596 -13.267 -0.555 241 HB3 ARG 32 1HB ARG 32 -9.621 -14.672 -1.609 242 HG2 ARG 32 2HG ARG 32 -9.319 -16.139 0.296 243 HG3 ARG 32 1HG ARG 32 -9.199 -14.744 1.370 244 HD2 ARG 32 2HD ARG 32 -11.476 -14.101 0.834 245 HD3 ARG 32 1HD ARG 32 -11.602 -15.436 -0.313 246 HH11 ARG 32 1HH1 ARG 32 -13.097 -13.972 1.581 247 HH12 ARG 32 2HH1 ARG 32 -14.171 -14.437 2.859 248 HH21 ARG 32 1HH2 ARG 32 -12.518 -17.469 3.515 249 HH22 ARG 32 2HH2 ARG 32 -13.863 -16.447 3.943 250 H TRP 33 HN TRP 33 -5.799 -12.500 -1.143 251 HA TRP 33 HA TRP 33 -5.524 -11.994 1.722 252 HD1 TRP 33 1HD TRP 33 -2.742 -9.060 0.811 253 HE1 TRP 33 1HE TRP 33 -1.359 -8.794 2.968 254 HE3 TRP 33 3HE TRP 33 -3.245 -13.788 2.676 255 HZ2 TRP 33 2HZ TRP 33 -0.599 -10.380 5.176 256 HZ3 TRP 33 3HZ TRP 33 -2.168 -14.331 4.819 257 HH2 TRP 33 2HH TRP 33 -0.873 -12.662 6.040 258 HB2 TRP 33 2HB TRP 33 -3.561 -12.713 0.302 259 HB3 TRP 33 1HB TRP 33 -3.658 -11.146 -0.491 260 H PHE 34 HN PHE 34 -6.739 -10.549 -1.113 261 HA PHE 34 HA PHE 34 -7.252 -8.081 0.306 262 HD1 PHE 34 1HD PHE 34 -3.951 -9.445 -1.669 263 HD2 PHE 34 2HD PHE 34 -6.776 -7.163 -3.888 264 HE1 PHE 34 1HE PHE 34 -3.074 -10.396 -3.761 265 HE2 PHE 34 2HE PHE 34 -5.906 -8.112 -5.982 266 HZ PHE 34 HZ PHE 34 -4.051 -9.733 -5.923 267 HB2 PHE 34 2HB PHE 34 -6.382 -6.685 -1.586 268 HB3 PHE 34 1HB PHE 34 -5.130 -7.520 -0.678 269 H ARG 35 HN ARG 35 -8.452 -6.552 -1.406 270 HA ARG 35 HA ARG 35 -10.710 -8.154 -2.300 271 HE ARG 35 HE ARG 35 -13.144 -6.866 1.329 272 HB2 ARG 35 2HB ARG 35 -10.263 -5.189 -1.971 273 HB3 ARG 35 1HB ARG 35 -11.705 -5.841 -2.735 274 HG2 ARG 35 2HG ARG 35 -10.802 -6.378 0.087 275 HG3 ARG 35 1HG ARG 35 -12.105 -5.291 -0.402 276 HD2 ARG 35 2HD ARG 35 -13.111 -7.360 -1.551 277 HD3 ARG 35 1HD ARG 35 -11.992 -8.286 -0.552 278 HH11 ARG 35 1HH1 ARG 35 -14.583 -8.536 -1.392 279 HH12 ARG 35 2HH1 ARG 35 -16.167 -8.601 -0.680 280 HH21 ARG 35 1HH2 ARG 35 -15.220 -6.975 2.283 281 HH22 ARG 35 2HH2 ARG 35 -16.525 -7.723 1.414 282 HA PRO 36 HA PRO 36 -9.989 -8.155 -6.660 283 HB2 PRO 36 2HB PRO 36 -12.586 -6.703 -6.923 284 HB3 PRO 36 1HB PRO 36 -12.027 -8.165 -7.743 285 HG2 PRO 36 2HG PRO 36 -13.790 -8.299 -5.748 286 HG3 PRO 36 1HG PRO 36 -12.521 -9.524 -5.938 287 HD2 PRO 36 2HD PRO 36 -12.731 -7.297 -3.973 288 HD3 PRO 36 1HD PRO 36 -12.005 -8.905 -3.787 289 H ASN 37 HN ASN 37 -8.374 -6.794 -7.118 290 HA ASN 37 HA ASN 37 -7.384 -5.061 -8.197 291 HB2 ASN 37 2HB ASN 37 -10.186 -3.939 -8.290 292 HB3 ASN 37 1HB ASN 37 -8.796 -3.130 -9.003 293 HD21 ASN 37 1HD2 ASN 37 -7.874 -3.958 -10.856 294 HD22 ASN 37 2HD2 ASN 37 -8.639 -5.173 -11.822 295 H LEU 38 HN LEU 38 -8.587 -4.978 -5.167 296 HA LEU 38 HA LEU 38 -7.542 -2.271 -4.676 297 HG LEU 38 HG LEU 38 -10.233 -2.081 -5.390 298 HB2 LEU 38 2HB LEU 38 -9.894 -3.670 -3.455 299 HB3 LEU 38 1HB LEU 38 -9.089 -2.357 -2.616 300 HD11 LEU 38 1HD1 LEU 38 -12.128 -0.946 -4.340 301 HD12 LEU 38 2HD1 LEU 38 -11.482 -1.334 -2.747 302 HD13 LEU 38 3HD1 LEU 38 -12.028 -2.628 -3.816 303 HD21 LEU 38 3HD2 LEU 38 -8.496 -0.472 -4.809 304 HD22 LEU 38 1HD2 LEU 38 -9.362 -0.058 -3.330 305 HD23 LEU 38 2HD2 LEU 38 -10.074 0.311 -4.900 306 H GLN 39 HN GLN 39 -5.773 -2.227 -3.562 307 HA GLN 39 HA GLN 39 -5.017 -4.499 -1.895 308 HB2 GLN 39 2HB GLN 39 -3.486 -2.040 -2.765 309 HB3 GLN 39 1HB GLN 39 -2.825 -3.305 -1.744 310 HG2 GLN 39 2HG GLN 39 -3.956 -4.052 -4.393 311 HG3 GLN 39 1HG GLN 39 -2.384 -3.260 -4.329 312 HE21 GLN 39 1HE2 GLN 39 -3.524 -5.413 -1.815 313 HE22 GLN 39 2HE2 GLN 39 -2.421 -6.694 -2.148 314 H LYS 40 HN LYS 40 -5.478 -4.463 0.211 315 HA LYS 40 HA LYS 40 -6.255 -1.963 1.457 316 HB2 LYS 40 2HB LYS 40 -6.908 -3.365 3.374 317 HB3 LYS 40 1HB LYS 40 -7.622 -3.945 1.876 318 HG2 LYS 40 2HG LYS 40 -5.846 -5.666 1.749 319 HG3 LYS 40 1HG LYS 40 -5.257 -5.122 3.321 320 HD2 LYS 40 2HD LYS 40 -7.547 -5.600 4.235 321 HD3 LYS 40 1HD LYS 40 -7.933 -6.353 2.684 322 HE2 LYS 40 2HE LYS 40 -5.955 -7.849 3.020 323 HE3 LYS 40 1HE LYS 40 -5.796 -7.177 4.641 324 HZ1 LYS 40 3HZ LYS 40 -7.006 -9.135 4.907 325 HZ2 LYS 40 1HZ LYS 40 -7.987 -8.840 3.555 326 HZ3 LYS 40 2HZ LYS 40 -8.188 -7.921 4.961 327 H VAL 41 HN VAL 41 -4.843 -0.694 2.437 328 HA VAL 41 HA VAL 41 -2.510 -1.933 3.745 329 HB VAL 41 HB VAL 41 -1.129 0.004 3.123 330 HG11 VAL 41 1HG1 VAL 41 -1.009 -1.968 1.731 331 HG12 VAL 41 2HG1 VAL 41 -0.870 -0.522 0.728 332 HG13 VAL 41 3HG1 VAL 41 -2.389 -1.416 0.786 333 HG21 VAL 41 3HG2 VAL 41 -1.894 1.573 1.407 334 HG22 VAL 41 1HG2 VAL 41 -2.880 1.673 2.865 335 HG23 VAL 41 2HG2 VAL 41 -3.492 0.827 1.442 336 H ARG 42 HN ARG 42 -1.669 -0.779 5.557 337 HA ARG 42 HA ARG 42 -3.765 0.622 7.016 338 HE ARG 42 HE ARG 42 -2.929 -4.099 8.931 339 HB2 ARG 42 2HB ARG 42 -1.037 -0.308 7.952 340 HB3 ARG 42 1HB ARG 42 -2.304 0.351 8.975 341 HG2 ARG 42 2HG ARG 42 -3.739 -1.564 8.371 342 HG3 ARG 42 1HG ARG 42 -2.400 -2.237 7.437 343 HD2 ARG 42 2HD ARG 42 -1.026 -2.259 9.497 344 HD3 ARG 42 1HD ARG 42 -2.425 -1.690 10.404 345 HH11 ARG 42 1HH1 ARG 42 -1.663 -2.791 11.918 346 HH12 ARG 42 2HH1 ARG 42 -1.917 -4.254 12.814 347 HH21 ARG 42 1HH2 ARG 42 -3.259 -6.036 10.088 348 HH22 ARG 42 2HH2 ARG 42 -2.820 -6.118 11.770 349 H VAL 43 HN VAL 43 -3.825 2.772 7.142 350 HA VAL 43 HA VAL 43 -1.334 4.274 6.694 351 HB VAL 43 HB VAL 43 -2.697 6.215 6.127 352 HG11 VAL 43 1HG1 VAL 43 -3.527 3.748 4.600 353 HG12 VAL 43 2HG1 VAL 43 -2.080 4.719 4.319 354 HG13 VAL 43 3HG1 VAL 43 -3.677 5.408 4.025 355 HG21 VAL 43 3HG2 VAL 43 -5.088 4.419 6.536 356 HG22 VAL 43 1HG2 VAL 43 -5.128 6.065 5.896 357 HG23 VAL 43 2HG2 VAL 43 -4.623 5.777 7.562 358 H VAL 44 HN VAL 44 -0.979 6.168 8.038 359 HA VAL 44 HA VAL 44 -2.036 5.706 10.740 360 HB VAL 44 HB VAL 44 0.401 5.477 10.560 361 HG11 VAL 44 1HG1 VAL 44 0.804 6.965 8.680 362 HG12 VAL 44 2HG1 VAL 44 1.817 7.416 10.055 363 HG13 VAL 44 3HG1 VAL 44 0.373 8.357 9.672 364 HG21 VAL 44 3HG2 VAL 44 1.046 7.034 12.343 365 HG22 VAL 44 1HG2 VAL 44 -0.517 6.278 12.658 366 HG23 VAL 44 2HG2 VAL 44 -0.442 7.943 12.074 367 H LEU 45 HN LEU 45 -3.142 7.229 11.785 368 HA LEU 45 HA LEU 45 -3.662 9.758 10.413 369 HG LEU 45 HG LEU 45 -5.563 7.294 10.605 370 HB2 LEU 45 2HB LEU 45 -5.053 8.412 12.736 371 HB3 LEU 45 1HB LEU 45 -5.528 9.949 12.046 372 HD11 LEU 45 1HD1 LEU 45 -7.989 7.526 10.700 373 HD12 LEU 45 2HD1 LEU 45 -7.819 8.999 11.656 374 HD13 LEU 45 3HD1 LEU 45 -7.287 7.452 12.315 375 HD21 LEU 45 3HD2 LEU 45 -6.686 8.495 8.820 376 HD22 LEU 45 1HD2 LEU 45 -5.097 9.193 9.125 377 HD23 LEU 45 2HD2 LEU 45 -6.543 10.005 9.720 378 HA PRO 46 HA PRO 46 -1.129 12.095 13.162 379 HB2 PRO 46 2HB PRO 46 -2.598 14.398 13.350 380 HB3 PRO 46 1HB PRO 46 -1.584 13.986 11.962 381 HG2 PRO 46 2HG PRO 46 -4.540 13.659 12.316 382 HG3 PRO 46 1HG PRO 46 -3.636 14.240 10.905 383 HD2 PRO 46 2HD PRO 46 -4.596 11.738 11.027 384 HD3 PRO 46 1HD PRO 46 -3.038 12.095 10.252 385 H ASP 47 HN ASP 47 -4.351 11.263 13.967 386 HA ASP 47 HA ASP 47 -4.219 12.311 16.662 387 HB2 ASP 47 2HB ASP 47 -6.290 10.619 15.252 388 HB3 ASP 47 1HB ASP 47 -6.424 11.127 16.933 389 H GLY 48 HN GLY 48 -2.769 9.805 15.192 390 HA2 GLY 48 2HA GLY 48 -1.395 8.267 16.317 391 HA3 GLY 48 1HA GLY 48 -2.399 8.451 17.750 392 H THR 49 HN THR 49 -4.256 8.027 14.983 393 HA THR 49 HA THR 49 -4.888 5.312 15.835 394 HB THR 49 HB THR 49 -6.460 6.872 13.817 395 HG1 THR 49 1HG THR 49 -6.211 7.333 16.579 396 HG21 THR 49 3HG2 THR 49 -7.238 4.845 15.912 397 HG22 THR 49 1HG2 THR 49 -7.064 4.537 14.184 398 HG23 THR 49 2HG2 THR 49 -8.337 5.612 14.763 399 H ILE 50 HN ILE 50 -5.113 3.645 14.349 400 HA ILE 50 HA ILE 50 -3.695 4.009 11.791 401 HB ILE 50 HB ILE 50 -3.864 1.517 13.512 402 HG12 ILE 50 2HG1 ILE 50 -1.282 1.781 13.312 403 HG13 ILE 50 1HG1 ILE 50 -1.649 3.452 12.899 404 HG21 ILE 50 1HG2 ILE 50 -4.003 0.926 11.158 405 HG22 ILE 50 2HG2 ILE 50 -2.450 0.435 11.836 406 HG23 ILE 50 3HG2 ILE 50 -2.553 1.874 10.822 407 HD11 ILE 50 3HD1 ILE 50 -1.115 3.215 15.258 408 HD12 ILE 50 1HD1 ILE 50 -2.426 2.051 15.451 409 HD13 ILE 50 2HD1 ILE 50 -2.789 3.729 15.042 410 H LYS 51 HN LYS 51 -4.811 3.539 9.982 411 HA LYS 51 HA LYS 51 -7.252 1.928 10.233 412 HB2 LYS 51 2HB LYS 51 -7.974 4.235 10.337 413 HB3 LYS 51 1HB LYS 51 -7.060 4.627 8.891 414 HG2 LYS 51 2HG LYS 51 -8.521 3.133 7.590 415 HG3 LYS 51 1HG LYS 51 -9.457 2.806 9.053 416 HD2 LYS 51 2HD LYS 51 -10.028 5.173 9.228 417 HD3 LYS 51 1HD LYS 51 -9.065 5.520 7.792 418 HE2 LYS 51 2HE LYS 51 -11.411 5.421 7.215 419 HE3 LYS 51 1HE LYS 51 -10.549 4.077 6.467 420 HZ1 LYS 51 3HZ LYS 51 -12.740 3.519 7.516 421 HZ2 LYS 51 1HZ LYS 51 -12.034 3.825 9.029 422 HZ3 LYS 51 2HZ LYS 51 -11.438 2.573 8.045 423 H ARG 52 HN ARG 52 -7.401 0.439 8.710 424 HA ARG 52 HA ARG 52 -5.591 0.566 6.431 425 HE ARG 52 HE ARG 52 -7.103 -3.777 9.787 426 HB2 ARG 52 2HB ARG 52 -6.724 -1.760 5.981 427 HB3 ARG 52 1HB ARG 52 -5.476 -1.592 7.204 428 HG2 ARG 52 2HG ARG 52 -7.022 -1.698 8.953 429 HG3 ARG 52 1HG ARG 52 -8.392 -1.405 7.878 430 HD2 ARG 52 2HD ARG 52 -8.506 -3.553 7.224 431 HD3 ARG 52 1HD ARG 52 -6.755 -3.753 7.215 432 HH11 ARG 52 1HH1 ARG 52 -9.415 -5.021 7.482 433 HH12 ARG 52 2HH1 ARG 52 -9.839 -6.406 8.442 434 HH21 ARG 52 1HH2 ARG 52 -7.649 -5.594 11.074 435 HH22 ARG 52 2HH2 ARG 52 -8.826 -6.740 10.486 436 H MET 53 HN MET 53 -6.192 0.996 4.419 437 HA MET 53 HA MET 53 -9.074 1.256 3.858 438 HB2 MET 53 2HB MET 53 -6.905 3.216 3.066 439 HB3 MET 53 1HB MET 53 -8.599 3.328 2.603 440 HG2 MET 53 2HG MET 53 -9.244 3.655 4.905 441 HG3 MET 53 1HG MET 53 -7.582 3.411 5.434 442 HE1 MET 53 3HE MET 53 -9.068 7.079 3.054 443 HE2 MET 53 1HE MET 53 -10.122 5.808 3.678 444 HE3 MET 53 2HE MET 53 -9.002 5.457 2.361 445 H ARG 54 HN ARG 54 -9.619 1.154 1.587 446 HA ARG 54 HA ARG 54 -7.952 -0.741 0.171 447 HE ARG 54 HE ARG 54 -12.069 0.303 1.185 448 HB2 ARG 54 2HB ARG 54 -10.637 0.499 -0.406 449 HB3 ARG 54 1HB ARG 54 -9.840 -0.599 -1.521 450 HG2 ARG 54 2HG ARG 54 -10.125 -2.422 -0.153 451 HG3 ARG 54 1HG ARG 54 -10.231 -1.442 1.309 452 HD2 ARG 54 2HD ARG 54 -12.332 -1.439 -0.849 453 HD3 ARG 54 1HD ARG 54 -12.388 -2.502 0.560 454 HH11 ARG 54 1HH1 ARG 54 -14.374 -2.283 0.607 455 HH12 ARG 54 2HH1 ARG 54 -15.655 -1.515 1.497 456 HH21 ARG 54 1HH2 ARG 54 -13.743 1.322 2.329 457 HH22 ARG 54 2HH2 ARG 54 -15.283 0.529 2.503 458 H VAL 55 HN VAL 55 -6.258 -0.022 -0.846 459 HA VAL 55 HA VAL 55 -6.457 2.515 -2.342 460 HB VAL 55 HB VAL 55 -3.968 1.272 -1.148 461 HG11 VAL 55 1HG1 VAL 55 -4.383 3.944 -2.482 462 HG12 VAL 55 2HG1 VAL 55 -3.516 2.569 -3.165 463 HG13 VAL 55 3HG1 VAL 55 -2.888 3.384 -1.732 464 HG21 VAL 55 3HG2 VAL 55 -5.475 2.117 0.580 465 HG22 VAL 55 1HG2 VAL 55 -5.551 3.675 -0.243 466 HG23 VAL 55 2HG2 VAL 55 -4.029 3.118 0.452 467 H CYS 56 HN CYS 56 -5.879 2.520 -4.468 468 HA CYS 56 HA CYS 56 -5.489 -0.048 -5.732 469 HG CYS 56 HG CYS 56 -5.514 4.026 -5.985 470 HB2 CYS 56 2HB CYS 56 -5.644 1.160 -7.842 471 HB3 CYS 56 1HB CYS 56 -6.951 1.651 -6.771 472 H THR 57 HN THR 57 -3.717 -0.538 -7.144 473 HA THR 57 HA THR 57 -1.225 -0.161 -5.952 474 HB THR 57 HB THR 57 -1.360 -0.843 -8.855 475 HG1 THR 57 1HG THR 57 -2.671 -2.485 -8.547 476 HG21 THR 57 3HG2 THR 57 0.746 -1.019 -7.604 477 HG22 THR 57 1HG2 THR 57 0.191 -2.602 -8.152 478 HG23 THR 57 2HG2 THR 57 -0.024 -2.125 -6.470 479 H SER 58 HN SER 58 -2.827 1.648 -8.498 480 HA SER 58 HA SER 58 -0.605 3.021 -9.517 481 HG SER 58 HG SER 58 -3.333 3.135 -11.591 482 HB2 SER 58 2HB SER 58 -3.455 4.014 -9.304 483 HB3 SER 58 1HB SER 58 -2.222 4.595 -10.424 484 H CYS 59 HN CYS 59 -2.812 3.799 -6.855 485 HA CYS 59 HA CYS 59 -1.541 6.226 -6.128 486 HG CYS 59 HG CYS 59 -4.325 7.409 -5.575 487 HB2 CYS 59 2HB CYS 59 -3.320 4.336 -4.568 488 HB3 CYS 59 1HB CYS 59 -2.810 5.911 -3.988 489 H LEU 60 HN LEU 60 -1.121 2.857 -5.255 490 HA LEU 60 HA LEU 60 0.605 3.186 -3.062 491 HG LEU 60 HG LEU 60 -1.663 1.230 -3.561 492 HB2 LEU 60 2HB LEU 60 0.278 0.939 -5.039 493 HB3 LEU 60 1HB LEU 60 1.329 0.832 -3.643 494 HD11 LEU 60 1HD1 LEU 60 -1.685 -1.036 -2.625 495 HD12 LEU 60 2HD1 LEU 60 0.052 -1.160 -2.904 496 HD13 LEU 60 3HD1 LEU 60 -1.053 -1.006 -4.272 497 HD21 LEU 60 3HD2 LEU 60 0.338 0.863 -1.336 498 HD22 LEU 60 1HD2 LEU 60 -1.415 0.888 -1.145 499 HD23 LEU 60 2HD2 LEU 60 -0.567 2.334 -1.693 500 H LYS 61 HN LYS 61 1.302 2.662 -6.500 501 HA LYS 61 HA LYS 61 4.116 2.634 -6.209 502 HB2 LYS 61 2HB LYS 61 2.424 3.231 -8.641 503 HB3 LYS 61 1HB LYS 61 4.161 2.962 -8.673 504 HG2 LYS 61 2HG LYS 61 2.131 0.950 -7.732 505 HG3 LYS 61 1HG LYS 61 2.846 0.992 -9.343 506 HD2 LYS 61 2HD LYS 61 4.362 0.647 -6.760 507 HD3 LYS 61 1HD LYS 61 3.953 -0.643 -7.889 508 HE2 LYS 61 2HE LYS 61 5.241 0.605 -9.643 509 HE3 LYS 61 1HE LYS 61 5.780 1.705 -8.377 510 HZ1 LYS 61 3HZ LYS 61 7.474 0.148 -8.557 511 HZ2 LYS 61 1HZ LYS 61 6.408 -1.160 -8.720 512 HZ3 LYS 61 2HZ LYS 61 6.598 -0.402 -7.216 513 H SER 62 HN SER 62 1.812 5.226 -6.843 514 HA SER 62 HA SER 62 3.863 7.140 -7.474 515 HG SER 62 HG SER 62 0.811 6.477 -8.674 516 HB2 SER 62 2HB SER 62 0.933 7.602 -6.863 517 HB3 SER 62 1HB SER 62 2.033 8.751 -7.630 518 H GLY 63 HN GLY 63 2.041 6.234 -4.620 519 HA2 GLY 63 2HA GLY 63 2.544 6.648 -2.409 520 HA3 GLY 63 1HA GLY 63 3.978 7.508 -2.944 521 H LYS 64 HN LYS 64 0.525 8.126 -3.575 522 HA LYS 64 HA LYS 64 0.887 10.851 -2.608 523 HB2 LYS 64 2HB LYS 64 -0.399 10.363 -4.716 524 HB3 LYS 64 1HB LYS 64 -1.618 9.572 -3.732 525 HG2 LYS 64 2HG LYS 64 -0.874 12.390 -3.111 526 HG3 LYS 64 1HG LYS 64 -1.908 12.060 -4.501 527 HD2 LYS 64 2HD LYS 64 -3.575 11.065 -3.129 528 HD3 LYS 64 1HD LYS 64 -2.491 11.009 -1.737 529 HE2 LYS 64 2HE LYS 64 -4.121 12.800 -1.494 530 HE3 LYS 64 1HE LYS 64 -2.490 13.448 -1.639 531 HZ1 LYS 64 3HZ LYS 64 -4.417 13.270 -3.893 532 HZ2 LYS 64 1HZ LYS 64 -2.904 14.045 -3.895 533 HZ3 LYS 64 2HZ LYS 64 -4.171 14.662 -2.952 534 H VAL 65 HN VAL 65 -0.292 7.821 -1.576 535 HA VAL 65 HA VAL 65 -2.134 8.696 0.391 536 HB VAL 65 HB VAL 65 -1.985 6.409 1.288 537 HG11 VAL 65 1HG1 VAL 65 -2.768 5.228 -0.708 538 HG12 VAL 65 2HG1 VAL 65 -2.138 6.526 -1.723 539 HG13 VAL 65 3HG1 VAL 65 -3.459 6.846 -0.597 540 HG21 VAL 65 3HG2 VAL 65 0.379 5.979 1.008 541 HG22 VAL 65 1HG2 VAL 65 0.215 6.054 -0.747 542 HG23 VAL 65 2HG2 VAL 65 -0.553 4.748 0.156 543 H LYS 66 HN LYS 66 -1.884 8.865 2.610 544 HA LYS 66 HA LYS 66 0.525 9.943 3.553 545 HB2 LYS 66 2HB LYS 66 -1.924 8.938 5.003 546 HB3 LYS 66 1HB LYS 66 -0.577 9.723 5.827 547 HG2 LYS 66 2HG LYS 66 -0.927 11.753 4.640 548 HG3 LYS 66 1HG LYS 66 -2.082 10.989 3.552 549 HD2 LYS 66 2HD LYS 66 -3.659 10.708 5.373 550 HD3 LYS 66 1HD LYS 66 -2.484 11.367 6.518 551 HE2 LYS 66 2HE LYS 66 -2.568 13.509 5.499 552 HE3 LYS 66 1HE LYS 66 -3.478 12.895 4.121 553 HZ1 LYS 66 3HZ LYS 66 -5.351 12.494 5.580 554 HZ2 LYS 66 1HZ LYS 66 -4.881 14.118 5.652 555 HZ3 LYS 66 2HZ LYS 66 -4.480 13.058 6.914 556 H LYS 67 HN LYS 67 -1.006 6.836 4.331 557 HA LYS 67 HA LYS 67 -0.143 4.747 4.572 558 HB2 LYS 67 2HB LYS 67 1.150 5.375 2.552 559 HB3 LYS 67 1HB LYS 67 2.426 5.996 3.584 560 HG2 LYS 67 2HG LYS 67 2.629 3.663 4.524 561 HG3 LYS 67 1HG LYS 67 1.568 3.144 3.212 562 HD2 LYS 67 2HD LYS 67 3.154 4.130 1.589 563 HD3 LYS 67 1HD LYS 67 4.228 4.540 2.923 564 HE2 LYS 67 2HE LYS 67 4.243 2.075 3.496 565 HE3 LYS 67 1HE LYS 67 3.447 1.804 1.945 566 HZ1 LYS 67 3HZ LYS 67 6.131 2.993 2.397 567 HZ2 LYS 67 1HZ LYS 67 5.355 2.990 0.891 568 HZ3 LYS 67 2HZ LYS 67 5.780 1.527 1.632 569 H TYR 68 HN TYR 68 0.946 3.465 6.117 570 HA TYR 68 HA TYR 68 2.309 4.968 8.220 571 HD1 TYR 68 2HD TYR 68 2.278 4.667 10.708 572 HD2 TYR 68 1HD TYR 68 2.661 0.646 9.367 573 HE1 TYR 68 2HE TYR 68 3.660 4.148 12.674 574 HE2 TYR 68 1HE TYR 68 4.043 0.117 11.330 575 HH TYR 68 HH TYR 68 4.375 2.258 13.991 576 HB2 TYR 68 2HB TYR 68 0.600 3.433 9.013 577 HB3 TYR 68 1HB TYR 68 1.349 2.096 8.144 578 H VAL 69 HN VAL 69 4.180 5.427 7.166 579 HA VAL 69 HA VAL 69 6.210 5.220 6.242 580 HB VAL 69 HB VAL 69 6.780 4.973 8.530 581 HG11 VAL 69 1HG1 VAL 69 5.369 2.973 9.036 582 HG12 VAL 69 2HG1 VAL 69 6.988 2.939 9.733 583 HG13 VAL 69 3HG1 VAL 69 6.629 1.977 8.300 584 HG21 VAL 69 3HG2 VAL 69 8.571 4.791 6.904 585 HG22 VAL 69 1HG2 VAL 69 8.368 3.041 6.863 586 HG23 VAL 69 2HG2 VAL 69 8.913 3.831 8.343 587 H GLY 70 HN GLY 70 5.684 1.703 6.860 588 HA2 GLY 70 2HA GLY 70 6.118 1.196 4.032 589 HA3 GLY 70 1HA GLY 70 7.388 0.633 5.108 590 H GLN 71 HN GLN 71 6.114 -1.212 3.589 591 HA GLN 71 HA GLN 71 4.557 -2.654 5.612 592 HB2 GLN 71 2HB GLN 71 3.057 -3.513 3.806 593 HB3 GLN 71 1HB GLN 71 2.875 -1.798 4.143 594 HG2 GLN 71 2HG GLN 71 4.235 -1.277 2.175 595 HG3 GLN 71 1HG GLN 71 4.391 -2.999 1.834 596 HE21 GLN 71 1HE2 GLN 71 1.632 -3.546 2.667 597 HE22 GLN 71 2HE2 GLN 71 0.629 -2.964 1.386 598 H VAL 72 HN VAL 72 6.384 -2.863 2.581 599 HA VAL 72 HA VAL 72 7.935 -5.050 3.407 600 HB VAL 72 HB VAL 72 5.694 -6.207 3.149 601 HG11 VAL 72 1HG1 VAL 72 4.852 -5.025 1.215 602 HG12 VAL 72 2HG1 VAL 72 4.945 -6.754 0.874 603 HG13 VAL 72 3HG1 VAL 72 6.166 -5.659 0.225 604 HG21 VAL 72 3HG2 VAL 72 7.931 -7.179 1.379 605 HG22 VAL 72 1HG2 VAL 72 6.610 -8.161 2.007 606 HG23 VAL 72 2HG2 VAL 72 7.787 -7.454 3.115 607 H SER 73 HN SER 73 9.262 -5.905 1.574 608 HA SER 73 HA SER 73 10.217 -3.884 -0.106 609 HG SER 73 HG SER 73 11.834 -5.075 1.269 610 HB2 SER 73 2HB SER 73 10.535 -6.864 -0.516 611 HB3 SER 73 1HB SER 73 11.624 -5.588 -1.061 612 H GLU 74 HN GLU 74 9.363 -3.068 -1.880 613 HA GLU 74 HA GLU 74 7.408 -4.664 -3.402 614 HB2 GLU 74 2HB GLU 74 6.693 -2.498 -2.255 615 HB3 GLU 74 1HB GLU 74 7.723 -1.655 -3.396 616 HG2 GLU 74 2HG GLU 74 5.570 -3.484 -4.368 617 HG3 GLU 74 1HG GLU 74 5.190 -1.846 -3.848 618 H VAL 75 HN VAL 75 9.228 -1.776 -4.237 619 HA VAL 75 HA VAL 75 11.459 -2.746 -5.422 620 HB VAL 75 HB VAL 75 9.920 -3.985 -6.996 621 HG11 VAL 75 1HG1 VAL 75 9.322 -1.221 -8.021 622 HG12 VAL 75 2HG1 VAL 75 8.180 -2.348 -7.289 623 HG13 VAL 75 3HG1 VAL 75 8.912 -2.722 -8.849 624 HG21 VAL 75 3HG2 VAL 75 11.816 -1.988 -8.222 625 HG22 VAL 75 1HG2 VAL 75 11.230 -3.461 -8.997 626 HG23 VAL 75 2HG2 VAL 75 12.241 -3.565 -7.555 627 H GLY 76 HN GLY 76 8.802 -0.483 -5.617 628 HA2 GLY 76 2HA GLY 76 9.172 1.784 -4.956 629 HA3 GLY 76 1HA GLY 76 10.800 1.675 -5.607 630 H SER 77 HN SER 77 9.610 3.820 -6.346 631 HA SER 77 HA SER 77 9.428 3.571 -9.175 632 HG SER 77 HG SER 77 7.797 4.266 -10.440 633 HB2 SER 77 2HB SER 77 7.069 2.983 -8.394 634 HB3 SER 77 1HB SER 77 6.946 4.641 -7.811 Start of MODEL 10 1 HA GLN 1 HA GLN 1 -5.182 4.270 -20.159 2 H1 GLN 1 1HT GLN 1 -6.906 5.795 -20.772 3 H2 GLN 1 2HT GLN 1 -5.401 6.562 -20.877 4 H3 GLN 1 3HT GLN 1 -6.428 6.890 -19.568 5 HB2 GLN 1 2HB GLN 1 -4.402 6.547 -18.412 6 HB3 GLN 1 1HB GLN 1 -4.176 4.925 -17.771 7 HG2 GLN 1 2HG GLN 1 -2.145 5.706 -18.794 8 HG3 GLN 1 1HG GLN 1 -2.801 4.360 -19.719 9 HE21 GLN 1 1HE2 GLN 1 -3.605 4.727 -21.787 10 HE22 GLN 1 2HE2 GLN 1 -3.302 6.209 -22.647 11 H GLY 2 HN GLY 2 -6.630 2.781 -19.637 12 HA2 GLY 2 2HA GLY 2 -8.015 1.498 -18.356 13 HA3 GLY 2 1HA GLY 2 -7.302 2.297 -16.966 14 H HIS 3 HN HIS 3 -9.569 3.156 -19.597 15 HA HIS 3 HA HIS 3 -11.071 4.827 -17.790 16 HD1 HIS 3 1HD HIS 3 -14.272 4.255 -20.651 17 HD2 HIS 3 2HD HIS 3 -12.345 7.421 -18.746 18 HE1 HIS 3 1HE HIS 3 -16.055 5.977 -20.209 19 HE2 HIS 3 2HE HIS 3 -14.890 7.841 -18.973 20 HB2 HIS 3 2HB HIS 3 -10.826 5.414 -20.199 21 HB3 HIS 3 1HB HIS 3 -11.775 3.992 -20.620 22 H MET 4 HN MET 4 -11.553 3.225 -16.232 23 HA MET 4 HA MET 4 -13.975 1.708 -16.909 24 HB2 MET 4 2HB MET 4 -11.693 0.714 -15.180 25 HB3 MET 4 1HB MET 4 -13.238 -0.099 -15.381 26 HG2 MET 4 2HG MET 4 -12.776 -0.399 -17.761 27 HG3 MET 4 1HG MET 4 -11.228 0.419 -17.561 28 HE1 MET 4 3HE MET 4 -13.019 -2.128 -15.168 29 HE2 MET 4 1HE MET 4 -12.282 -3.655 -15.665 30 HE3 MET 4 2HE MET 4 -13.346 -2.786 -16.772 31 H ILE 5 HN ILE 5 -15.540 2.669 -15.798 32 HA ILE 5 HA ILE 5 -14.899 3.763 -13.145 33 HB ILE 5 HB ILE 5 -17.132 4.571 -15.020 34 HG12 ILE 5 2HG1 ILE 5 -14.940 5.311 -15.824 35 HG13 ILE 5 1HG1 ILE 5 -15.885 6.680 -15.254 36 HG21 ILE 5 1HG2 ILE 5 -16.313 5.692 -12.344 37 HG22 ILE 5 2HG2 ILE 5 -17.805 4.826 -12.712 38 HG23 ILE 5 3HG2 ILE 5 -17.508 6.413 -13.424 39 HD11 ILE 5 3HD1 ILE 5 -13.544 6.835 -14.592 40 HD12 ILE 5 1HD1 ILE 5 -13.689 5.307 -13.721 41 HD13 ILE 5 2HD1 ILE 5 -14.605 6.716 -13.188 42 H MET 6 HN MET 6 -15.445 2.275 -11.669 43 HA MET 6 HA MET 6 -18.266 1.583 -11.524 44 HB2 MET 6 2HB MET 6 -17.767 -0.752 -10.856 45 HB3 MET 6 1HB MET 6 -17.359 -0.414 -12.528 46 HG2 MET 6 2HG MET 6 -15.306 -0.335 -10.344 47 HG3 MET 6 1HG MET 6 -15.741 -1.828 -11.170 48 HE1 MET 6 3HE MET 6 -13.409 -2.379 -12.085 49 HE2 MET 6 1HE MET 6 -12.757 -1.021 -11.166 50 HE3 MET 6 2HE MET 6 -12.338 -1.218 -12.867 51 H ALA 7 HN ALA 7 -18.734 0.580 -9.313 52 HA ALA 7 HA ALA 7 -18.042 2.521 -7.410 53 HB1 ALA 7 1HB ALA 7 -20.149 1.271 -7.405 54 HB2 ALA 7 2HB ALA 7 -19.332 1.204 -5.843 55 HB3 ALA 7 3HB ALA 7 -19.272 -0.183 -6.926 56 H LYS 8 HN LYS 8 -16.528 -0.489 -8.183 57 HA LYS 8 HA LYS 8 -15.172 -0.760 -5.660 58 HB2 LYS 8 2HB LYS 8 -14.738 -2.175 -8.297 59 HB3 LYS 8 1HB LYS 8 -13.960 -2.607 -6.782 60 HG2 LYS 8 2HG LYS 8 -16.065 -3.223 -5.808 61 HG3 LYS 8 1HG LYS 8 -16.939 -2.616 -7.214 62 HD2 LYS 8 2HD LYS 8 -15.933 -4.320 -8.615 63 HD3 LYS 8 1HD LYS 8 -14.954 -4.891 -7.261 64 HE2 LYS 8 2HE LYS 8 -16.927 -5.589 -6.070 65 HE3 LYS 8 1HE LYS 8 -17.970 -4.892 -7.307 66 HZ1 LYS 8 3HZ LYS 8 -16.044 -7.098 -7.811 67 HZ2 LYS 8 1HZ LYS 8 -17.222 -6.507 -8.879 68 HZ3 LYS 8 2HZ LYS 8 -17.686 -7.334 -7.472 69 H ARG 9 HN ARG 9 -14.404 1.543 -5.855 70 HA ARG 9 HA ARG 9 -11.854 1.627 -7.313 71 HE ARG 9 HE ARG 9 -15.867 5.715 -5.619 72 HB2 ARG 9 2HB ARG 9 -12.244 4.133 -7.393 73 HB3 ARG 9 1HB ARG 9 -13.271 3.145 -8.416 74 HG2 ARG 9 2HG ARG 9 -14.748 4.682 -7.514 75 HG3 ARG 9 1HG ARG 9 -14.963 3.278 -6.472 76 HD2 ARG 9 2HD ARG 9 -13.536 4.247 -4.794 77 HD3 ARG 9 1HD ARG 9 -13.167 5.611 -5.847 78 HH11 ARG 9 1HH1 ARG 9 -13.256 5.541 -3.301 79 HH12 ARG 9 2HH1 ARG 9 -14.096 6.454 -2.079 80 HH21 ARG 9 1HH2 ARG 9 -16.980 6.931 -4.009 81 HH22 ARG 9 2HH2 ARG 9 -16.213 7.221 -2.479 82 H CYS 10 HN CYS 10 -10.365 3.375 -6.393 83 HA CYS 10 HA CYS 10 -9.610 2.662 -3.791 84 HG CYS 10 HG CYS 10 -6.251 4.915 -4.052 85 HB2 CYS 10 2HB CYS 10 -8.072 3.600 -5.498 86 HB3 CYS 10 1HB CYS 10 -8.870 5.159 -5.342 87 H GLU 11 HN GLU 11 -9.881 3.601 -1.802 88 HA GLU 11 HA GLU 11 -12.208 5.238 -1.456 89 HB2 GLU 11 2HB GLU 11 -10.120 4.343 0.541 90 HB3 GLU 11 1HB GLU 11 -11.619 5.161 0.957 91 HG2 GLU 11 2HG GLU 11 -12.858 3.273 -0.092 92 HG3 GLU 11 1HG GLU 11 -11.318 2.440 -0.288 93 H VAL 12 HN VAL 12 -9.068 5.975 -2.260 94 HA VAL 12 HA VAL 12 -9.224 8.638 -1.022 95 HB VAL 12 HB VAL 12 -6.783 7.256 -2.136 96 HG11 VAL 12 1HG1 VAL 12 -6.613 9.675 -2.233 97 HG12 VAL 12 2HG1 VAL 12 -5.542 9.040 -0.985 98 HG13 VAL 12 3HG1 VAL 12 -7.069 9.798 -0.534 99 HG21 VAL 12 3HG2 VAL 12 -7.645 7.615 0.734 100 HG22 VAL 12 1HG2 VAL 12 -6.088 6.980 0.203 101 HG23 VAL 12 2HG2 VAL 12 -7.569 6.093 -0.155 102 H CYS 13 HN CYS 13 -7.612 7.294 -3.900 103 HA CYS 13 HA CYS 13 -7.640 9.773 -5.254 104 HG CYS 13 HG CYS 13 -6.481 9.983 -7.792 105 HB2 CYS 13 2HB CYS 13 -5.918 8.106 -5.663 106 HB3 CYS 13 1HB CYS 13 -7.119 6.981 -6.282 107 H GLY 14 HN GLY 14 -9.780 6.986 -5.378 108 HA2 GLY 14 2HA GLY 14 -12.043 7.160 -6.084 109 HA3 GLY 14 1HA GLY 14 -11.599 8.550 -7.066 110 H LYS 15 HN LYS 15 -9.170 6.800 -7.904 111 HA LYS 15 HA LYS 15 -10.461 5.677 -10.228 112 HB2 LYS 15 2HB LYS 15 -7.568 5.800 -9.384 113 HB3 LYS 15 1HB LYS 15 -8.111 5.056 -10.881 114 HG2 LYS 15 2HG LYS 15 -9.048 7.213 -11.588 115 HG3 LYS 15 1HG LYS 15 -8.432 7.946 -10.103 116 HD2 LYS 15 2HD LYS 15 -6.158 7.390 -10.747 117 HD3 LYS 15 1HD LYS 15 -6.747 6.575 -12.196 118 HE2 LYS 15 2HE LYS 15 -7.666 8.698 -13.006 119 HE3 LYS 15 1HE LYS 15 -7.048 9.508 -11.565 120 HZ1 LYS 15 3HZ LYS 15 -4.810 8.977 -12.234 121 HZ2 LYS 15 1HZ LYS 15 -5.600 9.785 -13.502 122 HZ3 LYS 15 2HZ LYS 15 -5.372 8.104 -13.577 123 H ALA 16 HN ALA 16 -10.286 3.494 -10.894 124 HA ALA 16 HA ALA 16 -10.278 1.643 -8.632 125 HB1 ALA 16 1HB ALA 16 -11.423 0.103 -10.145 126 HB2 ALA 16 2HB ALA 16 -11.258 1.265 -11.460 127 HB3 ALA 16 3HB ALA 16 -12.251 1.657 -10.056 128 HA PRO 17 HA PRO 17 -6.469 -0.148 -10.071 129 HB2 PRO 17 2HB PRO 17 -6.302 -2.185 -8.360 130 HB3 PRO 17 1HB PRO 17 -6.224 -0.515 -7.788 131 HG2 PRO 17 2HG PRO 17 -8.508 -2.436 -7.716 132 HG3 PRO 17 1HG PRO 17 -7.987 -1.269 -6.490 133 HD2 PRO 17 2HD PRO 17 -10.052 -0.877 -8.316 134 HD3 PRO 17 1HD PRO 17 -9.215 0.405 -7.417 135 H ARG 18 HN ARG 18 -5.771 -1.739 -11.471 136 HA ARG 18 HA ARG 18 -7.810 -3.661 -12.361 137 HE ARG 18 HE ARG 18 -7.816 -3.495 -16.369 138 HB2 ARG 18 2HB ARG 18 -5.383 -2.579 -13.792 139 HB3 ARG 18 1HB ARG 18 -6.434 -3.831 -14.434 140 HG2 ARG 18 2HG ARG 18 -8.324 -2.221 -14.321 141 HG3 ARG 18 1HG ARG 18 -7.168 -0.975 -13.838 142 HD2 ARG 18 2HD ARG 18 -7.597 -0.863 -16.232 143 HD3 ARG 18 1HD ARG 18 -5.923 -1.326 -15.918 144 HH11 ARG 18 1HH1 ARG 18 -5.313 -1.432 -17.689 145 HH12 ARG 18 2HH1 ARG 18 -4.969 -2.482 -19.024 146 HH21 ARG 18 1HH2 ARG 18 -7.390 -4.868 -18.161 147 HH22 ARG 18 2HH2 ARG 18 -6.148 -4.417 -19.298 148 H SER 19 HN SER 19 -4.914 -3.458 -10.638 149 HA SER 19 HA SER 19 -4.507 -6.336 -10.844 150 HG SER 19 HG SER 19 -2.571 -4.608 -13.318 151 HB2 SER 19 2HB SER 19 -2.268 -4.340 -11.268 152 HB3 SER 19 1HB SER 19 -2.102 -6.096 -11.235 153 H GLY 20 HN GLY 20 -3.701 -7.256 -9.018 154 HA2 GLY 20 2HA GLY 20 -2.875 -5.466 -6.815 155 HA3 GLY 20 1HA GLY 20 -3.859 -6.906 -6.548 156 H ASN 21 HN ASN 21 -1.135 -6.170 -5.552 157 HA ASN 21 HA ASN 21 0.903 -7.127 -5.201 158 HB2 ASN 21 2HB ASN 21 -0.455 -9.550 -6.424 159 HB3 ASN 21 1HB ASN 21 1.157 -9.581 -5.720 160 HD21 ASN 21 1HD2 ASN 21 1.396 -9.452 -3.502 161 HD22 ASN 21 2HD2 ASN 21 0.072 -9.667 -2.416 162 H THR 22 HN THR 22 2.257 -9.060 -6.922 163 HA THR 22 HA THR 22 2.136 -7.896 -9.580 164 HB THR 22 HB THR 22 4.801 -8.055 -8.150 165 HG1 THR 22 1HG THR 22 2.859 -6.063 -8.257 166 HG21 THR 22 3HG2 THR 22 4.876 -8.277 -10.600 167 HG22 THR 22 1HG2 THR 22 5.604 -6.764 -10.062 168 HG23 THR 22 2HG2 THR 22 3.985 -6.765 -10.757 169 H VAL 23 HN VAL 23 4.777 -9.824 -8.229 170 HA VAL 23 HA VAL 23 3.636 -12.256 -9.413 171 HB VAL 23 HB VAL 23 5.924 -12.863 -10.293 172 HG11 VAL 23 1HG1 VAL 23 4.159 -12.222 -11.801 173 HG12 VAL 23 2HG1 VAL 23 5.682 -11.526 -12.354 174 HG13 VAL 23 3HG1 VAL 23 4.497 -10.515 -11.527 175 HG21 VAL 23 3HG2 VAL 23 7.487 -11.058 -10.783 176 HG22 VAL 23 1HG2 VAL 23 7.223 -11.199 -9.045 177 HG23 VAL 23 2HG2 VAL 23 6.437 -9.905 -9.957 178 H SER 24 HN SER 24 5.675 -10.684 -7.117 179 HA SER 24 HA SER 24 6.619 -13.151 -5.928 180 HG SER 24 HG SER 24 8.338 -11.671 -6.904 181 HB2 SER 24 2HB SER 24 6.933 -10.355 -4.819 182 HB3 SER 24 1HB SER 24 7.938 -11.769 -4.503 183 H HIS 25 HN HIS 25 5.949 -13.987 -3.985 184 HA HIS 25 HA HIS 25 3.368 -13.077 -2.995 185 HD1 HIS 25 1HD HIS 25 1.498 -16.018 -2.321 186 HD2 HIS 25 2HD HIS 25 4.466 -15.899 -5.239 187 HE1 HIS 25 1HE HIS 25 0.508 -17.130 -4.352 188 HE2 HIS 25 2HE HIS 25 2.231 -16.812 -6.168 189 HB2 HIS 25 2HB HIS 25 5.084 -15.486 -2.389 190 HB3 HIS 25 1HB HIS 25 3.643 -15.108 -1.451 191 H SER 26 HN SER 26 3.142 -13.194 -0.497 192 HA SER 26 HA SER 26 4.613 -10.973 0.469 193 HG SER 26 HG SER 26 1.714 -12.269 0.336 194 HB2 SER 26 2HB SER 26 2.949 -12.877 2.122 195 HB3 SER 26 1HB SER 26 3.282 -11.175 2.444 196 H ASP 27 HN ASP 27 6.662 -11.039 1.128 197 HA ASP 27 HA ASP 27 7.968 -13.365 2.110 198 HB2 ASP 27 2HB ASP 27 9.390 -11.762 1.138 199 HB3 ASP 27 1HB ASP 27 8.672 -10.441 2.052 200 H LYS 28 HN LYS 28 8.268 -14.094 4.145 201 HA LYS 28 HA LYS 28 8.112 -14.314 6.403 202 HB2 LYS 28 2HB LYS 28 9.161 -12.055 6.437 203 HB3 LYS 28 1HB LYS 28 7.566 -11.332 6.401 204 HG2 LYS 28 2HG LYS 28 7.072 -12.097 8.587 205 HG3 LYS 28 1HG LYS 28 8.495 -13.145 8.609 206 HD2 LYS 28 2HD LYS 28 9.967 -11.261 8.622 207 HD3 LYS 28 1HD LYS 28 8.631 -10.145 8.344 208 HE2 LYS 28 2HE LYS 28 8.762 -11.901 10.772 209 HE3 LYS 28 1HE LYS 28 9.554 -10.326 10.718 210 HZ1 LYS 28 3HZ LYS 28 7.397 -10.110 11.698 211 HZ2 LYS 28 1HZ LYS 28 6.649 -10.861 10.373 212 HZ3 LYS 28 2HZ LYS 28 7.382 -9.341 10.187 213 H LYS 29 HN LYS 29 5.820 -14.210 4.417 214 HA LYS 29 HA LYS 29 3.717 -14.703 6.335 215 HB2 LYS 29 2HB LYS 29 3.688 -12.194 5.727 216 HB3 LYS 29 1HB LYS 29 3.180 -12.714 4.127 217 HG2 LYS 29 2HG LYS 29 1.218 -13.811 5.142 218 HG3 LYS 29 1HG LYS 29 1.717 -13.190 6.716 219 HD2 LYS 29 2HD LYS 29 0.950 -11.562 4.294 220 HD3 LYS 29 1HD LYS 29 0.008 -11.759 5.772 221 HE2 LYS 29 2HE LYS 29 2.713 -10.445 5.549 222 HE3 LYS 29 1HE LYS 29 1.173 -9.610 5.729 223 HZ1 LYS 29 3HZ LYS 29 2.420 -9.820 7.814 224 HZ2 LYS 29 1HZ LYS 29 2.307 -11.508 7.715 225 HZ3 LYS 29 2HZ LYS 29 0.902 -10.570 7.895 226 H SER 30 HN SER 30 1.634 -15.279 4.908 227 HA SER 30 HA SER 30 2.408 -16.442 2.324 228 HG SER 30 HG SER 30 3.395 -17.669 4.218 229 HB2 SER 30 2HB SER 30 0.778 -17.876 4.437 230 HB3 SER 30 1HB SER 30 1.207 -18.506 2.845 231 H GLU 31 HN GLU 31 1.226 -14.082 2.423 232 HA GLU 31 HA GLU 31 -0.569 -12.792 1.943 233 HB2 GLU 31 2HB GLU 31 -1.559 -15.431 0.866 234 HB3 GLU 31 1HB GLU 31 -2.529 -13.969 0.776 235 HG2 GLU 31 2HG GLU 31 -1.409 -14.297 -1.309 236 HG3 GLU 31 1HG GLU 31 -0.722 -12.886 -0.509 237 H ARG 32 HN ARG 32 -3.204 -12.886 2.241 238 HA ARG 32 HA ARG 32 -4.153 -14.440 4.396 239 HE ARG 32 HE ARG 32 -5.547 -12.841 8.902 240 HB2 ARG 32 2HB ARG 32 -2.586 -12.848 5.590 241 HB3 ARG 32 1HB ARG 32 -3.676 -11.551 5.124 242 HG2 ARG 32 2HG ARG 32 -5.440 -12.452 6.425 243 HG3 ARG 32 1HG ARG 32 -4.546 -13.947 6.711 244 HD2 ARG 32 2HD ARG 32 -2.843 -12.673 7.940 245 HD3 ARG 32 1HD ARG 32 -3.775 -11.199 7.680 246 HH11 ARG 32 1HH1 ARG 32 -2.255 -11.936 9.673 247 HH12 ARG 32 2HH1 ARG 32 -2.517 -11.957 11.395 248 HH21 ARG 32 1HH2 ARG 32 -5.900 -12.908 11.133 249 HH22 ARG 32 2HH2 ARG 32 -4.609 -12.515 12.232 250 H TRP 33 HN TRP 33 -4.860 -11.005 3.987 251 HA TRP 33 HA TRP 33 -7.233 -11.671 2.438 252 HD1 TRP 33 1HD TRP 33 -7.816 -13.014 6.185 253 HE1 TRP 33 1HE TRP 33 -9.740 -14.693 5.817 254 HE3 TRP 33 3HE TRP 33 -10.068 -10.789 2.168 255 HZ2 TRP 33 2HZ TRP 33 -11.918 -15.020 4.043 256 HZ3 TRP 33 3HZ TRP 33 -12.065 -11.847 1.196 257 HH2 TRP 33 2HH TRP 33 -12.968 -13.919 2.116 258 HB2 TRP 33 2HB TRP 33 -7.243 -10.667 5.228 259 HB3 TRP 33 1HB TRP 33 -8.406 -9.945 4.118 260 H PHE 34 HN PHE 34 -7.534 -10.327 0.872 261 HA PHE 34 HA PHE 34 -6.712 -7.530 1.122 262 HD1 PHE 34 2HD PHE 34 -4.198 -6.517 0.143 263 HD2 PHE 34 1HD PHE 34 -4.477 -10.750 -0.210 264 HE1 PHE 34 2HE PHE 34 -1.909 -6.740 1.016 265 HE2 PHE 34 1HE PHE 34 -2.185 -10.976 0.655 266 HZ PHE 34 HZ PHE 34 -0.899 -8.972 1.270 267 HB2 PHE 34 2HB PHE 34 -6.103 -9.354 -1.222 268 HB3 PHE 34 1HB PHE 34 -5.919 -7.605 -1.258 269 H ARG 35 HN ARG 35 -7.544 -6.590 -1.277 270 HA ARG 35 HA ARG 35 -10.381 -7.376 -1.385 271 HE ARG 35 HE ARG 35 -10.801 -4.430 2.207 272 HB2 ARG 35 2HB ARG 35 -9.128 -4.716 -2.110 273 HB3 ARG 35 1HB ARG 35 -10.841 -5.101 -2.189 274 HG2 ARG 35 2HG ARG 35 -9.179 -5.028 0.325 275 HG3 ARG 35 1HG ARG 35 -10.281 -3.762 -0.219 276 HD2 ARG 35 2HD ARG 35 -12.132 -5.412 -0.127 277 HD3 ARG 35 1HD ARG 35 -11.003 -6.587 0.545 278 HH11 ARG 35 1HH1 ARG 35 -13.469 -6.383 1.064 279 HH12 ARG 35 2HH1 ARG 35 -14.384 -6.229 2.538 280 HH21 ARG 35 1HH2 ARG 35 -12.009 -4.172 4.115 281 HH22 ARG 35 2HH2 ARG 35 -13.562 -4.943 4.269 282 HA PRO 36 HA PRO 36 -9.924 -8.392 -5.727 283 HB2 PRO 36 2HB PRO 36 -12.143 -6.517 -6.343 284 HB3 PRO 36 1HB PRO 36 -11.997 -8.243 -6.695 285 HG2 PRO 36 2HG PRO 36 -13.628 -7.375 -4.776 286 HG3 PRO 36 1HG PRO 36 -12.694 -8.869 -4.574 287 HD2 PRO 36 2HD PRO 36 -12.191 -6.146 -3.433 288 HD3 PRO 36 1HD PRO 36 -12.010 -7.741 -2.670 289 H ASN 37 HN ASN 37 -8.025 -7.478 -6.334 290 HA ASN 37 HA ASN 37 -6.607 -6.140 -7.482 291 HB2 ASN 37 2HB ASN 37 -9.086 -4.540 -8.131 292 HB3 ASN 37 1HB ASN 37 -7.491 -4.194 -8.789 293 HD21 ASN 37 1HD2 ASN 37 -9.915 -4.909 -10.182 294 HD22 ASN 37 2HD2 ASN 37 -9.577 -6.360 -11.056 295 H LEU 38 HN LEU 38 -8.897 -4.385 -5.438 296 HA LEU 38 HA LEU 38 -7.112 -2.262 -4.784 297 HG LEU 38 HG LEU 38 -9.693 -1.745 -5.575 298 HB2 LEU 38 2HB LEU 38 -9.642 -3.333 -3.552 299 HB3 LEU 38 1HB LEU 38 -8.716 -2.081 -2.752 300 HD11 LEU 38 1HD1 LEU 38 -11.120 -0.977 -3.032 301 HD12 LEU 38 2HD1 LEU 38 -11.633 -2.226 -4.164 302 HD13 LEU 38 3HD1 LEU 38 -11.610 -0.536 -4.667 303 HD21 LEU 38 3HD2 LEU 38 -9.492 0.641 -4.977 304 HD22 LEU 38 1HD2 LEU 38 -7.958 -0.218 -4.858 305 HD23 LEU 38 2HD2 LEU 38 -8.866 0.171 -3.399 306 H GLN 39 HN GLN 39 -5.523 -2.187 -3.277 307 HA GLN 39 HA GLN 39 -5.241 -4.523 -1.529 308 HB2 GLN 39 2HB GLN 39 -3.239 -2.440 -2.395 309 HB3 GLN 39 1HB GLN 39 -2.910 -3.660 -1.172 310 HG2 GLN 39 2HG GLN 39 -3.462 -5.393 -2.909 311 HG3 GLN 39 1HG GLN 39 -3.482 -4.084 -4.091 312 HE21 GLN 39 1HE2 GLN 39 -1.364 -4.065 -1.360 313 HE22 GLN 39 2HE2 GLN 39 0.097 -4.335 -2.231 314 H LYS 40 HN LYS 40 -5.456 -4.343 0.601 315 HA LYS 40 HA LYS 40 -6.173 -1.731 1.666 316 HB2 LYS 40 2HB LYS 40 -6.694 -3.212 3.745 317 HB3 LYS 40 1HB LYS 40 -7.761 -3.275 2.349 318 HG2 LYS 40 2HG LYS 40 -6.626 -5.321 1.590 319 HG3 LYS 40 1HG LYS 40 -5.598 -5.263 3.025 320 HD2 LYS 40 2HD LYS 40 -8.603 -5.349 3.177 321 HD3 LYS 40 1HD LYS 40 -7.612 -6.807 3.128 322 HE2 LYS 40 2HE LYS 40 -6.500 -6.189 5.165 323 HE3 LYS 40 1HE LYS 40 -7.297 -4.617 5.175 324 HZ1 LYS 40 3HZ LYS 40 -8.212 -6.495 6.653 325 HZ2 LYS 40 1HZ LYS 40 -8.898 -7.098 5.222 326 HZ3 LYS 40 2HZ LYS 40 -9.310 -5.547 5.778 327 H VAL 41 HN VAL 41 -4.579 -0.526 2.380 328 HA VAL 41 HA VAL 41 -2.356 -1.834 3.811 329 HB VAL 41 HB VAL 41 -0.912 0.034 3.130 330 HG11 VAL 41 1HG1 VAL 41 -0.669 -0.584 0.777 331 HG12 VAL 41 2HG1 VAL 41 -2.259 -1.343 0.809 332 HG13 VAL 41 3HG1 VAL 41 -0.948 -2.002 1.788 333 HG21 VAL 41 3HG2 VAL 41 -2.593 1.769 2.872 334 HG22 VAL 41 1HG2 VAL 41 -3.277 0.921 1.483 335 HG23 VAL 41 2HG2 VAL 41 -1.650 1.599 1.388 336 H ARG 42 HN ARG 42 -1.374 -0.570 5.531 337 HA ARG 42 HA ARG 42 -3.460 0.714 7.088 338 HE ARG 42 HE ARG 42 0.377 -1.928 8.692 339 HB2 ARG 42 2HB ARG 42 -0.634 -0.008 7.888 340 HB3 ARG 42 1HB ARG 42 -1.919 0.509 8.972 341 HG2 ARG 42 2HG ARG 42 -3.202 -1.518 8.282 342 HG3 ARG 42 1HG ARG 42 -1.768 -2.048 7.399 343 HD2 ARG 42 2HD ARG 42 -1.913 -1.488 10.358 344 HD3 ARG 42 1HD ARG 42 -1.914 -3.085 9.612 345 HH11 ARG 42 1HH1 ARG 42 -0.988 -2.474 11.864 346 HH12 ARG 42 2HH1 ARG 42 0.554 -2.608 12.657 347 HH21 ARG 42 1HH2 ARG 42 2.417 -2.146 9.708 348 HH22 ARG 42 2HH2 ARG 42 2.494 -2.461 11.419 349 H VAL 43 HN VAL 43 -3.618 2.831 7.374 350 HA VAL 43 HA VAL 43 -1.253 4.509 6.837 351 HB VAL 43 HB VAL 43 -2.746 6.289 6.027 352 HG11 VAL 43 1HG1 VAL 43 -3.303 5.297 3.859 353 HG12 VAL 43 2HG1 VAL 43 -3.063 3.688 4.535 354 HG13 VAL 43 3HG1 VAL 43 -1.704 4.803 4.412 355 HG21 VAL 43 3HG2 VAL 43 -4.936 4.215 6.206 356 HG22 VAL 43 1HG2 VAL 43 -5.085 5.816 5.482 357 HG23 VAL 43 2HG2 VAL 43 -4.791 5.656 7.213 358 H VAL 44 HN VAL 44 -1.071 6.425 8.085 359 HA VAL 44 HA VAL 44 -2.196 6.194 10.739 360 HB VAL 44 HB VAL 44 -0.319 8.267 9.581 361 HG11 VAL 44 1HG1 VAL 44 -1.108 7.781 12.453 362 HG12 VAL 44 2HG1 VAL 44 -1.588 9.163 11.470 363 HG13 VAL 44 3HG1 VAL 44 0.108 8.930 11.892 364 HG21 VAL 44 3HG2 VAL 44 0.646 6.026 9.672 365 HG22 VAL 44 1HG2 VAL 44 0.218 5.909 11.378 366 HG23 VAL 44 2HG2 VAL 44 1.408 7.099 10.847 367 H LEU 45 HN LEU 45 -3.974 7.186 11.427 368 HA LEU 45 HA LEU 45 -5.144 9.318 9.805 369 HG LEU 45 HG LEU 45 -6.194 6.427 9.985 370 HB2 LEU 45 2HB LEU 45 -6.223 7.668 12.091 371 HB3 LEU 45 1HB LEU 45 -7.112 8.964 11.329 372 HD11 LEU 45 1HD1 LEU 45 -8.947 7.352 10.792 373 HD12 LEU 45 2HD1 LEU 45 -8.017 6.069 11.567 374 HD13 LEU 45 3HD1 LEU 45 -8.569 5.878 9.902 375 HD21 LEU 45 3HD2 LEU 45 -7.520 7.190 8.080 376 HD22 LEU 45 1HD2 LEU 45 -6.212 8.317 8.438 377 HD23 LEU 45 2HD2 LEU 45 -7.865 8.701 8.921 378 HA PRO 46 HA PRO 46 -3.904 12.485 12.708 379 HB2 PRO 46 2HB PRO 46 -6.389 13.871 11.915 380 HB3 PRO 46 1HB PRO 46 -4.709 14.395 11.752 381 HG2 PRO 46 2HG PRO 46 -6.148 13.651 9.620 382 HG3 PRO 46 1HG PRO 46 -4.418 13.283 9.743 383 HD2 PRO 46 2HD PRO 46 -6.778 11.498 10.225 384 HD3 PRO 46 1HD PRO 46 -5.250 11.142 9.390 385 H ASP 47 HN ASP 47 -6.762 10.681 12.816 386 HA ASP 47 HA ASP 47 -7.872 11.786 15.226 387 HB2 ASP 47 2HB ASP 47 -8.370 9.148 13.820 388 HB3 ASP 47 1HB ASP 47 -9.287 9.728 15.204 389 H GLY 48 HN GLY 48 -5.113 10.090 14.633 390 HA2 GLY 48 2HA GLY 48 -3.618 9.121 16.118 391 HA3 GLY 48 1HA GLY 48 -4.815 9.314 17.392 392 H THR 49 HN THR 49 -5.246 7.682 14.314 393 HA THR 49 HA THR 49 -5.357 5.097 15.674 394 HB THR 49 HB THR 49 -7.532 5.852 13.751 395 HG1 THR 49 1HG THR 49 -7.208 6.700 16.380 396 HG21 THR 49 3HG2 THR 49 -8.772 4.109 14.955 397 HG22 THR 49 1HG2 THR 49 -7.384 3.855 16.011 398 HG23 THR 49 2HG2 THR 49 -7.262 3.490 14.292 399 H ILE 50 HN ILE 50 -5.195 3.302 14.206 400 HA ILE 50 HA ILE 50 -3.986 4.033 11.622 401 HB ILE 50 HB ILE 50 -3.640 1.467 13.192 402 HG12 ILE 50 2HG1 ILE 50 -2.537 3.332 14.315 403 HG13 ILE 50 1HG1 ILE 50 -1.336 2.268 13.594 404 HG21 ILE 50 1HG2 ILE 50 -3.448 1.131 10.789 405 HG22 ILE 50 2HG2 ILE 50 -1.877 0.956 11.574 406 HG23 ILE 50 3HG2 ILE 50 -2.263 2.434 10.690 407 HD11 ILE 50 3HD1 ILE 50 -2.278 4.901 12.481 408 HD12 ILE 50 1HD1 ILE 50 -1.102 3.831 11.720 409 HD13 ILE 50 2HD1 ILE 50 -0.733 4.587 13.271 410 H LYS 51 HN LYS 51 -5.153 3.586 9.858 411 HA LYS 51 HA LYS 51 -7.183 1.466 10.078 412 HB2 LYS 51 2HB LYS 51 -8.256 3.675 10.086 413 HB3 LYS 51 1HB LYS 51 -7.455 4.074 8.572 414 HG2 LYS 51 2HG LYS 51 -8.663 2.255 7.459 415 HG3 LYS 51 1HG LYS 51 -9.472 1.871 8.976 416 HD2 LYS 51 2HD LYS 51 -9.676 4.509 7.522 417 HD3 LYS 51 1HD LYS 51 -10.870 3.212 7.445 418 HE2 LYS 51 2HE LYS 51 -11.118 3.393 9.917 419 HE3 LYS 51 1HE LYS 51 -10.061 4.805 9.872 420 HZ1 LYS 51 3HZ LYS 51 -12.327 5.527 9.864 421 HZ2 LYS 51 1HZ LYS 51 -12.707 4.517 8.557 422 HZ3 LYS 51 2HZ LYS 51 -11.675 5.839 8.328 423 H ARG 52 HN ARG 52 -7.298 0.034 8.493 424 HA ARG 52 HA ARG 52 -5.397 0.209 6.293 425 HE ARG 52 HE ARG 52 -7.708 -2.151 10.460 426 HB2 ARG 52 2HB ARG 52 -6.902 -2.167 6.052 427 HB3 ARG 52 1HB ARG 52 -5.241 -2.002 6.596 428 HG2 ARG 52 2HG ARG 52 -6.385 -3.248 8.239 429 HG3 ARG 52 1HG ARG 52 -6.134 -1.636 8.908 430 HD2 ARG 52 2HD ARG 52 -8.513 -1.165 7.953 431 HD3 ARG 52 1HD ARG 52 -8.662 -2.923 7.952 432 HH11 ARG 52 1HH1 ARG 52 -10.620 -1.769 8.542 433 HH12 ARG 52 2HH1 ARG 52 -11.655 -1.629 9.932 434 HH21 ARG 52 1HH2 ARG 52 -9.069 -1.957 12.271 435 HH22 ARG 52 2HH2 ARG 52 -10.778 -1.738 12.044 436 H MET 53 HN MET 53 -6.074 1.324 4.605 437 HA MET 53 HA MET 53 -8.937 1.313 3.955 438 HB2 MET 53 2HB MET 53 -6.752 3.223 3.096 439 HB3 MET 53 1HB MET 53 -8.437 3.339 2.604 440 HG2 MET 53 2HG MET 53 -9.088 3.626 4.958 441 HG3 MET 53 1HG MET 53 -7.388 3.560 5.421 442 HE1 MET 53 3HE MET 53 -10.176 5.550 3.557 443 HE2 MET 53 1HE MET 53 -9.007 5.306 2.259 444 HE3 MET 53 2HE MET 53 -9.291 6.926 2.898 445 H ARG 54 HN ARG 54 -9.579 1.258 1.704 446 HA ARG 54 HA ARG 54 -8.061 -0.735 0.239 447 HE ARG 54 HE ARG 54 -12.362 0.482 1.164 448 HB2 ARG 54 2HB ARG 54 -10.703 0.620 -0.318 449 HB3 ARG 54 1HB ARG 54 -10.000 -0.624 -1.343 450 HG2 ARG 54 2HG ARG 54 -10.260 -2.278 0.293 451 HG3 ARG 54 1HG ARG 54 -10.534 -1.096 1.573 452 HD2 ARG 54 2HD ARG 54 -12.390 -1.552 -0.763 453 HD3 ARG 54 1HD ARG 54 -12.596 -2.284 0.828 454 HH11 ARG 54 1HH1 ARG 54 -14.616 -1.857 -0.169 455 HH12 ARG 54 2HH1 ARG 54 -15.997 -0.839 0.058 456 HH21 ARG 54 1HH2 ARG 54 -14.200 1.811 1.484 457 HH22 ARG 54 2HH2 ARG 54 -15.775 1.238 1.009 458 H VAL 55 HN VAL 55 -6.322 0.049 -0.709 459 HA VAL 55 HA VAL 55 -6.501 2.600 -2.174 460 HB VAL 55 HB VAL 55 -4.051 1.211 -1.060 461 HG11 VAL 55 1HG1 VAL 55 -2.876 3.296 -1.581 462 HG12 VAL 55 2HG1 VAL 55 -4.342 3.933 -2.325 463 HG13 VAL 55 3HG1 VAL 55 -3.531 2.537 -3.033 464 HG21 VAL 55 3HG2 VAL 55 -5.528 3.646 -0.063 465 HG22 VAL 55 1HG2 VAL 55 -4.009 3.031 0.586 466 HG23 VAL 55 2HG2 VAL 55 -5.477 2.066 0.714 467 H CYS 56 HN CYS 56 -5.623 2.749 -4.253 468 HA CYS 56 HA CYS 56 -5.627 0.210 -5.685 469 HG CYS 56 HG CYS 56 -6.419 4.374 -7.654 470 HB2 CYS 56 2HB CYS 56 -5.790 1.628 -7.713 471 HB3 CYS 56 1HB CYS 56 -7.084 1.938 -6.563 472 H THR 57 HN THR 57 -4.041 -0.191 -7.365 473 HA THR 57 HA THR 57 -1.415 -0.063 -6.451 474 HB THR 57 HB THR 57 -2.096 -1.780 -8.003 475 HG1 THR 57 1HG THR 57 0.141 -0.888 -8.082 476 HG21 THR 57 3HG2 THR 57 -2.572 -1.322 -10.356 477 HG22 THR 57 1HG2 THR 57 -2.418 0.409 -10.059 478 HG23 THR 57 2HG2 THR 57 -3.729 -0.501 -9.306 479 H SER 58 HN SER 58 -3.200 2.227 -8.399 480 HA SER 58 HA SER 58 -1.048 3.638 -9.519 481 HG SER 58 HG SER 58 -1.720 5.779 -10.255 482 HB2 SER 58 2HB SER 58 -3.359 3.983 -10.257 483 HB3 SER 58 1HB SER 58 -3.781 4.652 -8.681 484 H CYS 59 HN CYS 59 -2.873 4.236 -6.517 485 HA CYS 59 HA CYS 59 -1.263 6.354 -5.606 486 HG CYS 59 HG CYS 59 -4.098 7.536 -4.381 487 HB2 CYS 59 2HB CYS 59 -2.999 4.407 -4.073 488 HB3 CYS 59 1HB CYS 59 -2.340 5.896 -3.418 489 H LEU 60 HN LEU 60 -1.129 2.875 -5.181 490 HA LEU 60 HA LEU 60 0.865 2.791 -3.196 491 HG LEU 60 HG LEU 60 -1.710 1.244 -3.573 492 HB2 LEU 60 2HB LEU 60 0.014 0.781 -5.271 493 HB3 LEU 60 1HB LEU 60 1.163 0.425 -3.999 494 HD11 LEU 60 1HD1 LEU 60 -0.354 -1.430 -3.264 495 HD12 LEU 60 2HD1 LEU 60 -1.526 -0.993 -4.507 496 HD13 LEU 60 3HD1 LEU 60 -2.019 -1.061 -2.815 497 HD21 LEU 60 3HD2 LEU 60 0.417 0.383 -1.610 498 HD22 LEU 60 1HD2 LEU 60 -1.284 0.661 -1.227 499 HD23 LEU 60 2HD2 LEU 60 -0.269 2.000 -1.764 500 H LYS 61 HN LYS 61 1.047 2.669 -6.729 501 HA LYS 61 HA LYS 61 3.810 2.129 -6.903 502 HB2 LYS 61 2HB LYS 61 2.217 1.819 -8.771 503 HB3 LYS 61 1HB LYS 61 2.035 3.564 -8.889 504 HG2 LYS 61 2HG LYS 61 4.459 3.728 -9.402 505 HG3 LYS 61 1HG LYS 61 4.527 1.965 -9.426 506 HD2 LYS 61 2HD LYS 61 2.763 3.658 -11.191 507 HD3 LYS 61 1HD LYS 61 4.310 2.965 -11.676 508 HE2 LYS 61 2HE LYS 61 1.881 1.398 -10.798 509 HE3 LYS 61 1HE LYS 61 2.400 1.628 -12.466 510 HZ1 LYS 61 3HZ LYS 61 3.275 -0.419 -11.946 511 HZ2 LYS 61 1HZ LYS 61 3.646 0.010 -10.345 512 HZ3 LYS 61 2HZ LYS 61 4.593 0.601 -11.618 513 H SER 62 HN SER 62 1.989 5.170 -6.964 514 HA SER 62 HA SER 62 4.300 6.796 -7.350 515 HG SER 62 HG SER 62 3.666 9.036 -6.417 516 HB2 SER 62 2HB SER 62 2.029 7.498 -8.036 517 HB3 SER 62 1HB SER 62 1.552 7.573 -6.340 518 H GLY 63 HN GLY 63 2.540 5.620 -4.557 519 HA2 GLY 63 2HA GLY 63 3.206 5.494 -2.358 520 HA3 GLY 63 1HA GLY 63 4.767 6.133 -2.848 521 H LYS 64 HN LYS 64 1.770 7.818 -3.486 522 HA LYS 64 HA LYS 64 2.691 9.954 -1.715 523 HB2 LYS 64 2HB LYS 64 0.741 11.211 -2.965 524 HB3 LYS 64 1HB LYS 64 2.315 11.005 -3.710 525 HG2 LYS 64 2HG LYS 64 0.818 10.506 -5.403 526 HG3 LYS 64 1HG LYS 64 1.315 8.925 -4.809 527 HD2 LYS 64 2HD LYS 64 -0.734 8.732 -3.531 528 HD3 LYS 64 1HD LYS 64 -1.219 10.357 -4.020 529 HE2 LYS 64 2HE LYS 64 -0.797 8.002 -5.857 530 HE3 LYS 64 1HE LYS 64 -2.356 8.647 -5.350 531 HZ1 LYS 64 3HZ LYS 64 -1.875 10.700 -6.490 532 HZ2 LYS 64 1HZ LYS 64 -1.688 9.405 -7.571 533 HZ3 LYS 64 2HZ LYS 64 -0.322 10.164 -6.907 534 H VAL 65 HN VAL 65 1.793 7.950 -0.280 535 HA VAL 65 HA VAL 65 -0.856 8.845 0.661 536 HB VAL 65 HB VAL 65 -1.154 6.567 1.615 537 HG11 VAL 65 1HG1 VAL 65 -2.170 7.124 -0.525 538 HG12 VAL 65 2HG1 VAL 65 -1.651 5.440 -0.507 539 HG13 VAL 65 3HG1 VAL 65 -0.695 6.647 -1.367 540 HG21 VAL 65 3HG2 VAL 65 1.334 5.918 0.033 541 HG22 VAL 65 1HG2 VAL 65 0.286 4.741 0.825 542 HG23 VAL 65 2HG2 VAL 65 1.183 5.912 1.790 543 H LYS 66 HN LYS 66 -1.105 8.136 3.100 544 HA LYS 66 HA LYS 66 1.060 9.354 4.551 545 HB2 LYS 66 2HB LYS 66 -1.523 8.090 5.453 546 HB3 LYS 66 1HB LYS 66 -0.361 8.810 6.558 547 HG2 LYS 66 2HG LYS 66 -1.720 10.273 4.308 548 HG3 LYS 66 1HG LYS 66 -2.237 10.308 5.994 549 HD2 LYS 66 2HD LYS 66 -0.072 11.267 6.632 550 HD3 LYS 66 1HD LYS 66 0.439 11.233 4.943 551 HE2 LYS 66 2HE LYS 66 -0.282 13.454 5.502 552 HE3 LYS 66 1HE LYS 66 -1.440 12.735 4.385 553 HZ1 LYS 66 3HZ LYS 66 -1.747 13.130 7.311 554 HZ2 LYS 66 1HZ LYS 66 -2.800 12.164 6.393 555 HZ3 LYS 66 2HZ LYS 66 -2.663 13.825 6.065 556 H LYS 67 HN LYS 67 -0.507 6.189 4.732 557 HA LYS 67 HA LYS 67 0.212 4.118 5.281 558 HB2 LYS 67 2HB LYS 67 2.611 5.375 4.167 559 HB3 LYS 67 1HB LYS 67 2.950 4.052 5.275 560 HG2 LYS 67 2HG LYS 67 1.349 2.662 3.910 561 HG3 LYS 67 1HG LYS 67 1.367 3.975 2.727 562 HD2 LYS 67 2HD LYS 67 3.750 3.752 2.442 563 HD3 LYS 67 1HD LYS 67 3.827 2.551 3.733 564 HE2 LYS 67 2HE LYS 67 2.366 1.073 2.380 565 HE3 LYS 67 1HE LYS 67 2.441 2.255 1.072 566 HZ1 LYS 67 3HZ LYS 67 4.787 0.868 2.251 567 HZ2 LYS 67 1HZ LYS 67 4.815 1.947 0.940 568 HZ3 LYS 67 2HZ LYS 67 4.039 0.438 0.790 569 H TYR 68 HN TYR 68 1.607 2.859 6.806 570 HA TYR 68 HA TYR 68 2.684 4.365 9.044 571 HD1 TYR 68 2HD TYR 68 2.459 4.690 11.438 572 HD2 TYR 68 1HD TYR 68 0.758 0.806 11.100 573 HE1 TYR 68 2HE TYR 68 3.259 4.152 13.697 574 HE2 TYR 68 1HE TYR 68 1.554 0.256 13.360 575 HH TYR 68 HH TYR 68 2.766 2.651 15.504 576 HB2 TYR 68 2HB TYR 68 0.412 3.974 9.785 577 HB3 TYR 68 1HB TYR 68 0.516 2.275 9.342 578 H VAL 69 HN VAL 69 4.663 3.655 8.294 579 HA VAL 69 HA VAL 69 6.433 2.292 7.948 580 HB VAL 69 HB VAL 69 7.045 0.866 9.894 581 HG11 VAL 69 1HG1 VAL 69 7.283 2.731 11.448 582 HG12 VAL 69 2HG1 VAL 69 6.083 3.646 10.540 583 HG13 VAL 69 3HG1 VAL 69 7.620 3.227 9.791 584 HG21 VAL 69 3HG2 VAL 69 4.836 0.124 10.614 585 HG22 VAL 69 1HG2 VAL 69 4.394 1.783 11.014 586 HG23 VAL 69 2HG2 VAL 69 5.664 0.965 11.922 587 H GLY 70 HN GLY 70 5.897 1.208 6.071 588 HA2 GLY 70 2HA GLY 70 5.876 -1.619 6.278 589 HA3 GLY 70 1HA GLY 70 4.268 -1.039 5.869 590 H GLN 71 HN GLN 71 6.769 -2.417 4.532 591 HA GLN 71 HA GLN 71 6.133 -1.296 1.912 592 HB2 GLN 71 2HB GLN 71 8.237 -0.189 2.691 593 HB3 GLN 71 1HB GLN 71 8.982 -1.777 2.819 594 HG2 GLN 71 2HG GLN 71 8.585 -2.107 0.401 595 HG3 GLN 71 1HG GLN 71 7.974 -0.457 0.312 596 HE21 GLN 71 1HE2 GLN 71 9.550 0.234 -1.081 597 HE22 GLN 71 2HE2 GLN 71 11.203 0.437 -0.602 598 H VAL 72 HN VAL 72 5.835 -2.886 0.445 599 HA VAL 72 HA VAL 72 6.783 -5.587 1.167 600 HB VAL 72 HB VAL 72 4.343 -5.223 1.704 601 HG11 VAL 72 1HG1 VAL 72 3.697 -3.777 -0.089 602 HG12 VAL 72 2HG1 VAL 72 2.753 -5.262 -0.196 603 HG13 VAL 72 3HG1 VAL 72 4.112 -5.001 -1.288 604 HG21 VAL 72 3HG2 VAL 72 5.208 -7.456 1.398 605 HG22 VAL 72 1HG2 VAL 72 4.995 -7.332 -0.349 606 HG23 VAL 72 2HG2 VAL 72 3.586 -7.340 0.713 607 H SER 73 HN SER 73 7.561 -3.372 -0.736 608 HA SER 73 HA SER 73 8.423 -3.135 -2.819 609 HG SER 73 HG SER 73 9.380 -5.570 -1.323 610 HB2 SER 73 2HB SER 73 8.004 -6.129 -3.051 611 HB3 SER 73 1HB SER 73 9.015 -5.140 -4.106 612 H GLU 74 HN GLU 74 5.768 -2.592 -2.378 613 HA GLU 74 HA GLU 74 4.017 -3.757 -4.259 614 HB2 GLU 74 2HB GLU 74 2.638 -1.660 -3.845 615 HB3 GLU 74 1HB GLU 74 2.988 -2.664 -2.448 616 HG2 GLU 74 2HG GLU 74 4.798 -0.382 -3.048 617 HG3 GLU 74 1HG GLU 74 3.211 -0.050 -2.358 618 H VAL 75 HN VAL 75 4.539 -3.770 -6.321 619 HA VAL 75 HA VAL 75 5.275 -1.238 -7.623 620 HB VAL 75 HB VAL 75 5.517 -4.070 -8.671 621 HG11 VAL 75 1HG1 VAL 75 5.110 -2.467 -10.467 622 HG12 VAL 75 2HG1 VAL 75 6.764 -3.074 -10.529 623 HG13 VAL 75 3HG1 VAL 75 6.439 -1.465 -9.886 624 HG21 VAL 75 3HG2 VAL 75 7.638 -2.143 -7.720 625 HG22 VAL 75 1HG2 VAL 75 7.940 -3.715 -8.458 626 HG23 VAL 75 2HG2 VAL 75 7.124 -3.615 -6.897 627 H GLY 76 HN GLY 76 3.227 -4.103 -8.003 628 HA2 GLY 76 2HA GLY 76 1.035 -4.254 -8.719 629 HA3 GLY 76 1HA GLY 76 1.008 -2.503 -8.887 630 H SER 77 HN SER 77 0.368 -2.096 -10.900 631 HA SER 77 HA SER 77 1.642 -3.581 -13.086 632 HG SER 77 HG SER 77 -0.780 -0.933 -12.942 633 HB2 SER 77 2HB SER 77 -0.257 -2.607 -14.461 634 HB3 SER 77 1HB SER 77 -0.737 -3.760 -13.217 Start of MODEL 11 1 HA GLN 1 HA GLN 1 -12.696 15.529 -12.409 2 H1 GLN 1 1HT GLN 1 -12.916 17.850 -14.235 3 H2 GLN 1 2HT GLN 1 -12.261 16.334 -14.616 4 H3 GLN 1 3HT GLN 1 -11.499 17.319 -13.467 5 HB2 GLN 1 2HB GLN 1 -12.488 17.754 -11.303 6 HB3 GLN 1 1HB GLN 1 -14.042 18.205 -11.990 7 HG2 GLN 1 2HG GLN 1 -15.075 16.316 -10.766 8 HG3 GLN 1 1HG GLN 1 -13.517 16.009 -10.004 9 HE21 GLN 1 1HE2 GLN 1 -12.905 18.891 -9.835 10 HE22 GLN 1 2HE2 GLN 1 -13.877 19.488 -8.529 11 H GLY 2 HN GLY 2 -14.540 14.298 -12.175 12 HA2 GLY 2 2HA GLY 2 -17.128 14.774 -12.661 13 HA3 GLY 2 1HA GLY 2 -16.513 14.575 -14.296 14 H HIS 3 HN HIS 3 -17.271 13.008 -11.293 15 HA HIS 3 HA HIS 3 -16.616 10.401 -12.493 16 HD1 HIS 3 1HD HIS 3 -15.156 11.675 -8.279 17 HD2 HIS 3 2HD HIS 3 -14.243 9.925 -11.944 18 HE1 HIS 3 1HE HIS 3 -12.650 11.762 -8.473 19 HE2 HIS 3 2HE HIS 3 -12.150 10.914 -10.797 20 HB2 HIS 3 2HB HIS 3 -17.198 11.148 -9.618 21 HB3 HIS 3 1HB HIS 3 -16.917 9.504 -10.182 22 H MET 4 HN MET 4 -18.167 9.109 -13.202 23 HA MET 4 HA MET 4 -20.944 9.929 -12.827 24 HB2 MET 4 2HB MET 4 -19.679 7.872 -14.642 25 HB3 MET 4 1HB MET 4 -21.405 8.184 -14.566 26 HG2 MET 4 2HG MET 4 -19.311 10.200 -15.345 27 HG3 MET 4 1HG MET 4 -20.324 9.285 -16.461 28 HE1 MET 4 3HE MET 4 -21.782 12.908 -16.731 29 HE2 MET 4 1HE MET 4 -21.139 11.528 -17.620 30 HE3 MET 4 2HE MET 4 -20.096 12.438 -16.527 31 H ILE 5 HN ILE 5 -18.740 7.479 -11.820 32 HA ILE 5 HA ILE 5 -20.604 6.401 -9.939 33 HB ILE 5 HB ILE 5 -21.371 5.157 -11.892 34 HG12 ILE 5 2HG1 ILE 5 -19.689 3.392 -10.101 35 HG13 ILE 5 1HG1 ILE 5 -21.302 3.978 -9.724 36 HG21 ILE 5 1HG2 ILE 5 -18.513 4.250 -12.197 37 HG22 ILE 5 2HG2 ILE 5 -19.392 5.334 -13.277 38 HG23 ILE 5 3HG2 ILE 5 -19.888 3.648 -13.127 39 HD11 ILE 5 3HD1 ILE 5 -20.573 2.149 -11.996 40 HD12 ILE 5 1HD1 ILE 5 -22.193 2.743 -11.633 41 HD13 ILE 5 2HD1 ILE 5 -21.367 1.679 -10.491 42 H MET 6 HN MET 6 -19.554 5.285 -8.296 43 HA MET 6 HA MET 6 -16.663 4.880 -8.693 44 HB2 MET 6 2HB MET 6 -16.391 5.179 -6.232 45 HB3 MET 6 1HB MET 6 -16.920 6.626 -7.073 46 HG2 MET 6 2HG MET 6 -19.199 6.247 -6.312 47 HG3 MET 6 1HG MET 6 -18.687 4.765 -5.504 48 HE1 MET 6 3HE MET 6 -19.661 5.495 -3.184 49 HE2 MET 6 1HE MET 6 -20.305 6.934 -3.972 50 HE3 MET 6 2HE MET 6 -19.394 7.089 -2.471 51 H ALA 7 HN ALA 7 -17.099 2.803 -9.508 52 HA ALA 7 HA ALA 7 -18.363 0.839 -7.809 53 HB1 ALA 7 1HB ALA 7 -18.672 0.706 -10.230 54 HB2 ALA 7 2HB ALA 7 -17.867 -0.740 -9.615 55 HB3 ALA 7 3HB ALA 7 -16.934 0.502 -10.446 56 H LYS 8 HN LYS 8 -17.088 0.796 -5.989 57 HA LYS 8 HA LYS 8 -15.435 0.112 -4.610 58 HB2 LYS 8 2HB LYS 8 -14.708 -1.604 -6.990 59 HB3 LYS 8 1HB LYS 8 -13.969 -1.761 -5.401 60 HG2 LYS 8 2HG LYS 8 -15.966 -2.503 -4.420 61 HG3 LYS 8 1HG LYS 8 -16.937 -1.950 -5.783 62 HD2 LYS 8 2HD LYS 8 -14.937 -4.209 -5.860 63 HD3 LYS 8 1HD LYS 8 -16.687 -4.396 -5.743 64 HE2 LYS 8 2HE LYS 8 -16.804 -3.035 -7.896 65 HE3 LYS 8 1HE LYS 8 -15.068 -3.319 -8.029 66 HZ1 LYS 8 3HZ LYS 8 -17.196 -5.384 -7.930 67 HZ2 LYS 8 1HZ LYS 8 -15.532 -5.720 -7.929 68 HZ3 LYS 8 2HZ LYS 8 -16.240 -4.970 -9.275 69 H ARG 9 HN ARG 9 -14.534 2.144 -4.490 70 HA ARG 9 HA ARG 9 -12.351 2.793 -6.350 71 HE ARG 9 HE ARG 9 -14.473 6.935 -5.317 72 HB2 ARG 9 2HB ARG 9 -12.600 5.104 -5.446 73 HB3 ARG 9 1HB ARG 9 -14.063 4.502 -6.217 74 HG2 ARG 9 2HG ARG 9 -15.246 4.637 -4.335 75 HG3 ARG 9 1HG ARG 9 -13.964 3.916 -3.369 76 HD2 ARG 9 2HD ARG 9 -14.374 6.133 -2.557 77 HD3 ARG 9 1HD ARG 9 -12.808 6.115 -3.362 78 HH11 ARG 9 1HH1 ARG 9 -13.965 7.990 -2.015 79 HH12 ARG 9 2HH1 ARG 9 -14.400 9.638 -2.344 80 HH21 ARG 9 1HH2 ARG 9 -15.029 9.099 -5.762 81 HH22 ARG 9 2HH2 ARG 9 -15.005 10.278 -4.475 82 H CYS 10 HN CYS 10 -10.525 4.041 -5.339 83 HA CYS 10 HA CYS 10 -9.467 2.793 -3.007 84 HG CYS 10 HG CYS 10 -7.233 3.672 -1.797 85 HB2 CYS 10 2HB CYS 10 -7.988 3.815 -4.702 86 HB3 CYS 10 1HB CYS 10 -8.668 5.399 -4.335 87 H GLU 11 HN GLU 11 -9.670 3.362 -0.910 88 HA GLU 11 HA GLU 11 -11.890 5.019 -0.233 89 HB2 GLU 11 2HB GLU 11 -9.805 3.696 1.504 90 HB3 GLU 11 1HB GLU 11 -11.176 4.590 2.144 91 HG2 GLU 11 2HG GLU 11 -12.683 3.025 0.943 92 HG3 GLU 11 1HG GLU 11 -11.268 2.084 0.480 93 H VAL 12 HN VAL 12 -8.640 5.709 -0.813 94 HA VAL 12 HA VAL 12 -8.627 8.104 0.863 95 HB VAL 12 HB VAL 12 -6.430 6.989 -0.886 96 HG11 VAL 12 1HG1 VAL 12 -6.385 9.090 1.282 97 HG12 VAL 12 2HG1 VAL 12 -6.174 9.365 -0.445 98 HG13 VAL 12 3HG1 VAL 12 -4.963 8.448 0.456 99 HG21 VAL 12 3HG2 VAL 12 -6.884 6.685 2.083 100 HG22 VAL 12 1HG2 VAL 12 -5.441 6.160 1.213 101 HG23 VAL 12 2HG2 VAL 12 -6.999 5.409 0.871 102 H CYS 13 HN CYS 13 -7.544 7.440 -2.474 103 HA CYS 13 HA CYS 13 -7.853 10.232 -3.131 104 HG CYS 13 HG CYS 13 -5.050 9.642 -2.775 105 HB2 CYS 13 2HB CYS 13 -7.072 7.993 -4.997 106 HB3 CYS 13 1HB CYS 13 -6.704 9.710 -5.155 107 H GLY 14 HN GLY 14 -9.577 7.254 -3.786 108 HA2 GLY 14 2HA GLY 14 -11.793 7.152 -4.602 109 HA3 GLY 14 1HA GLY 14 -11.602 8.781 -5.235 110 H LYS 15 HN LYS 15 -8.935 6.884 -5.943 111 HA LYS 15 HA LYS 15 -9.507 6.798 -8.742 112 HB2 LYS 15 2HB LYS 15 -7.239 5.853 -7.016 113 HB3 LYS 15 1HB LYS 15 -7.318 5.398 -8.711 114 HG2 LYS 15 2HG LYS 15 -7.502 8.270 -7.906 115 HG3 LYS 15 1HG LYS 15 -5.935 7.463 -8.025 116 HD2 LYS 15 2HD LYS 15 -6.493 6.815 -10.347 117 HD3 LYS 15 1HD LYS 15 -7.998 7.728 -10.210 118 HE2 LYS 15 2HE LYS 15 -6.814 9.783 -9.957 119 HE3 LYS 15 1HE LYS 15 -5.273 8.943 -9.801 120 HZ1 LYS 15 3HZ LYS 15 -5.386 8.268 -12.074 121 HZ2 LYS 15 1HZ LYS 15 -5.652 9.945 -12.018 122 HZ3 LYS 15 2HZ LYS 15 -6.956 8.886 -12.249 123 H ALA 16 HN ALA 16 -9.331 4.797 -10.030 124 HA ALA 16 HA ALA 16 -10.979 2.701 -8.876 125 HB1 ALA 16 1HB ALA 16 -11.509 3.591 -11.108 126 HB2 ALA 16 2HB ALA 16 -11.141 1.863 -11.165 127 HB3 ALA 16 3HB ALA 16 -9.938 3.040 -11.693 128 HA PRO 17 HA PRO 17 -7.569 -0.032 -8.237 129 HB2 PRO 17 2HB PRO 17 -8.833 -2.377 -8.000 130 HB3 PRO 17 1HB PRO 17 -9.070 -1.076 -6.829 131 HG2 PRO 17 2HG PRO 17 -10.840 -1.942 -9.074 132 HG3 PRO 17 1HG PRO 17 -11.275 -1.414 -7.438 133 HD2 PRO 17 2HD PRO 17 -11.353 0.184 -9.708 134 HD3 PRO 17 1HD PRO 17 -11.293 0.784 -8.041 135 H ARG 18 HN ARG 18 -6.135 -0.386 -9.805 136 HA ARG 18 HA ARG 18 -6.755 -2.457 -11.782 137 HE ARG 18 HE ARG 18 -6.781 0.728 -14.481 138 HB2 ARG 18 2HB ARG 18 -5.231 -1.111 -13.382 139 HB3 ARG 18 1HB ARG 18 -6.898 -0.596 -13.180 140 HG2 ARG 18 2HG ARG 18 -6.269 1.215 -11.796 141 HG3 ARG 18 1HG ARG 18 -4.617 0.613 -11.646 142 HD2 ARG 18 2HD ARG 18 -4.995 2.542 -13.254 143 HD3 ARG 18 1HD ARG 18 -4.109 1.151 -13.877 144 HH11 ARG 18 1HH1 ARG 18 -4.329 3.105 -15.237 145 HH12 ARG 18 2HH1 ARG 18 -4.942 3.412 -16.836 146 HH21 ARG 18 1HH2 ARG 18 -7.575 1.093 -16.584 147 HH22 ARG 18 2HH2 ARG 18 -6.802 2.277 -17.604 148 H SER 19 HN SER 19 -5.463 -4.083 -11.330 149 HA SER 19 HA SER 19 -2.649 -3.571 -10.722 150 HG SER 19 HG SER 19 -4.644 -3.709 -7.626 151 HB2 SER 19 2HB SER 19 -4.339 -5.356 -8.962 152 HB3 SER 19 1HB SER 19 -2.671 -4.845 -8.693 153 H GLY 20 HN GLY 20 -5.167 -5.574 -11.948 154 HA2 GLY 20 2HA GLY 20 -5.009 -7.489 -13.267 155 HA3 GLY 20 1HA GLY 20 -3.272 -7.540 -12.945 156 H ASN 21 HN ASN 21 -2.595 -8.222 -10.792 157 HA ASN 21 HA ASN 21 -4.652 -9.556 -9.183 158 HB2 ASN 21 2HB ASN 21 -1.992 -10.794 -9.956 159 HB3 ASN 21 1HB ASN 21 -3.053 -11.426 -8.703 160 HD21 ASN 21 1HD2 ASN 21 -2.431 -11.190 -12.065 161 HD22 ASN 21 2HD2 ASN 21 -3.729 -12.204 -12.603 162 H THR 22 HN THR 22 -1.114 -9.230 -9.079 163 HA THR 22 HA THR 22 0.325 -8.371 -7.553 164 HB THR 22 HB THR 22 -1.904 -6.537 -6.666 165 HG1 THR 22 1HG THR 22 -0.289 -6.509 -9.016 166 HG21 THR 22 3HG2 THR 22 -0.067 -4.940 -6.346 167 HG22 THR 22 1HG2 THR 22 1.090 -6.166 -6.872 168 HG23 THR 22 2HG2 THR 22 0.179 -6.395 -5.378 169 H VAL 23 HN VAL 23 -2.131 -10.240 -6.732 170 HA VAL 23 HA VAL 23 -2.052 -9.985 -3.850 171 HB VAL 23 HB VAL 23 -3.609 -11.907 -3.863 172 HG11 VAL 23 1HG1 VAL 23 -4.354 -9.690 -5.767 173 HG12 VAL 23 2HG1 VAL 23 -4.482 -9.642 -4.007 174 HG13 VAL 23 3HG1 VAL 23 -5.486 -10.757 -4.934 175 HG21 VAL 23 3HG2 VAL 23 -3.274 -11.765 -6.859 176 HG22 VAL 23 1HG2 VAL 23 -4.505 -12.709 -6.017 177 HG23 VAL 23 2HG2 VAL 23 -2.798 -13.099 -5.807 178 H SER 24 HN SER 24 0.226 -10.895 -5.723 179 HA SER 24 HA SER 24 0.881 -13.558 -5.224 180 HG SER 24 HG SER 24 1.443 -12.572 -7.589 181 HB2 SER 24 2HB SER 24 2.889 -11.322 -5.480 182 HB3 SER 24 1HB SER 24 3.038 -12.992 -6.031 183 H HIS 25 HN HIS 25 1.775 -10.607 -3.452 184 HA HIS 25 HA HIS 25 1.878 -12.091 -0.994 185 HD1 HIS 25 1HD HIS 25 5.385 -9.217 -0.748 186 HD2 HIS 25 2HD HIS 25 4.725 -11.312 -4.287 187 HE1 HIS 25 1HE HIS 25 6.695 -8.001 -2.518 188 HE2 HIS 25 2HE HIS 25 6.441 -9.398 -4.599 189 HB2 HIS 25 2HB HIS 25 4.183 -11.392 -0.384 190 HB3 HIS 25 1HB HIS 25 4.139 -12.533 -1.721 191 H SER 26 HN SER 26 0.305 -10.791 -0.216 192 HA SER 26 HA SER 26 0.841 -7.927 -0.033 193 HG SER 26 HG SER 26 -1.016 -8.326 -1.600 194 HB2 SER 26 2HB SER 26 -1.596 -9.429 0.947 195 HB3 SER 26 1HB SER 26 -1.449 -7.692 0.671 196 H ASP 27 HN ASP 27 -0.526 -10.268 2.268 197 HA ASP 27 HA ASP 27 1.584 -9.722 4.180 198 HB2 ASP 27 2HB ASP 27 -0.132 -7.946 4.580 199 HB3 ASP 27 1HB ASP 27 -1.320 -9.206 4.890 200 H LYS 28 HN LYS 28 1.823 -11.399 5.675 201 HA LYS 28 HA LYS 28 0.137 -13.750 5.122 202 HB2 LYS 28 2HB LYS 28 2.165 -15.139 5.441 203 HB3 LYS 28 1HB LYS 28 2.288 -14.052 4.068 204 HG2 LYS 28 2HG LYS 28 4.305 -13.578 4.902 205 HG3 LYS 28 1HG LYS 28 3.422 -12.546 6.025 206 HD2 LYS 28 2HD LYS 28 4.985 -13.926 7.250 207 HD3 LYS 28 1HD LYS 28 3.336 -14.431 7.629 208 HE2 LYS 28 2HE LYS 28 3.535 -16.277 6.041 209 HE3 LYS 28 1HE LYS 28 5.174 -15.768 5.644 210 HZ1 LYS 28 3HZ LYS 28 4.289 -16.621 8.345 211 HZ2 LYS 28 1HZ LYS 28 5.875 -16.253 7.875 212 HZ3 LYS 28 2HZ LYS 28 5.093 -17.619 7.244 213 H LYS 29 HN LYS 29 0.189 -11.643 7.319 214 HA LYS 29 HA LYS 29 0.398 -13.527 9.579 215 HB2 LYS 29 2HB LYS 29 2.220 -11.905 9.653 216 HB3 LYS 29 1HB LYS 29 1.072 -10.580 9.543 217 HG2 LYS 29 2HG LYS 29 0.129 -11.230 11.705 218 HG3 LYS 29 1HG LYS 29 1.308 -12.538 11.814 219 HD2 LYS 29 2HD LYS 29 3.126 -10.928 11.782 220 HD3 LYS 29 1HD LYS 29 1.971 -9.605 11.602 221 HE2 LYS 29 2HE LYS 29 0.997 -10.152 13.769 222 HE3 LYS 29 1HE LYS 29 2.122 -11.497 13.944 223 HZ1 LYS 29 3HZ LYS 29 2.837 -9.525 15.162 224 HZ2 LYS 29 1HZ LYS 29 2.899 -8.636 13.720 225 HZ3 LYS 29 2HZ LYS 29 3.952 -9.944 13.956 226 H SER 30 HN SER 30 -1.262 -10.746 8.191 227 HA SER 30 HA SER 30 -3.263 -10.799 10.305 228 HG SER 30 HG SER 30 -1.856 -9.310 7.515 229 HB2 SER 30 2HB SER 30 -4.228 -8.840 8.996 230 HB3 SER 30 1HB SER 30 -2.624 -8.602 9.684 231 H GLU 31 HN GLU 31 -5.605 -10.483 9.502 232 HA GLU 31 HA GLU 31 -6.267 -12.896 8.082 233 HB2 GLU 31 2HB GLU 31 -7.958 -10.797 9.439 234 HB3 GLU 31 1HB GLU 31 -8.620 -12.227 8.661 235 HG2 GLU 31 2HG GLU 31 -6.653 -12.272 10.937 236 HG3 GLU 31 1HG GLU 31 -8.401 -12.448 11.107 237 H ARG 32 HN ARG 32 -6.984 -13.092 6.082 238 HA ARG 32 HA ARG 32 -7.254 -10.651 4.464 239 HE ARG 32 HE ARG 32 -2.477 -12.908 3.638 240 HB2 ARG 32 2HB ARG 32 -6.975 -13.483 3.465 241 HB3 ARG 32 1HB ARG 32 -6.736 -11.994 2.557 242 HG2 ARG 32 2HG ARG 32 -4.731 -11.505 3.797 243 HG3 ARG 32 1HG ARG 32 -5.003 -12.900 4.847 244 HD2 ARG 32 2HD ARG 32 -4.909 -14.324 2.766 245 HD3 ARG 32 1HD ARG 32 -4.334 -12.891 1.913 246 HH11 ARG 32 1HH1 ARG 32 -4.114 -15.806 2.571 247 HH12 ARG 32 2HH1 ARG 32 -2.771 -16.857 2.906 248 HH21 ARG 32 1HH2 ARG 32 -0.715 -14.281 4.110 249 HH22 ARG 32 2HH2 ARG 32 -0.844 -15.991 3.825 250 H TRP 33 HN TRP 33 -9.361 -10.039 4.555 251 HA TRP 33 HA TRP 33 -11.491 -11.974 4.548 252 HD1 TRP 33 1HD TRP 33 -13.967 -9.403 2.751 253 HE1 TRP 33 1HE TRP 33 -16.353 -10.011 3.503 254 HE3 TRP 33 3HE TRP 33 -12.932 -11.043 7.480 255 HZ2 TRP 33 2HZ TRP 33 -17.625 -11.044 5.802 256 HZ3 TRP 33 3HZ TRP 33 -14.790 -11.819 8.891 257 HH2 TRP 33 2HH TRP 33 -17.086 -11.818 8.068 258 HB2 TRP 33 2HB TRP 33 -11.608 -9.783 5.766 259 HB3 TRP 33 1HB TRP 33 -11.702 -8.978 4.203 260 H PHE 34 HN PHE 34 -11.035 -9.156 2.414 261 HA PHE 34 HA PHE 34 -11.012 -10.736 0.029 262 HD1 PHE 34 2HD PHE 34 -12.263 -11.841 -1.596 263 HD2 PHE 34 1HD PHE 34 -14.457 -8.202 -1.325 264 HE1 PHE 34 2HE PHE 34 -12.783 -11.979 -3.995 265 HE2 PHE 34 1HE PHE 34 -14.982 -8.341 -3.727 266 HZ PHE 34 HZ PHE 34 -14.145 -10.229 -5.064 267 HB2 PHE 34 2HB PHE 34 -13.432 -10.795 0.656 268 HB3 PHE 34 1HB PHE 34 -13.467 -9.039 0.567 269 H ARG 35 HN ARG 35 -10.154 -9.576 -1.648 270 HA ARG 35 HA ARG 35 -10.193 -6.696 -1.572 271 HE ARG 35 HE ARG 35 -8.775 -10.797 -0.347 272 HB2 ARG 35 2HB ARG 35 -7.817 -6.348 -1.597 273 HB3 ARG 35 1HB ARG 35 -8.254 -7.237 -0.153 274 HG2 ARG 35 2HG ARG 35 -7.255 -8.705 -2.558 275 HG3 ARG 35 1HG ARG 35 -6.123 -7.869 -1.503 276 HD2 ARG 35 2HD ARG 35 -6.108 -9.978 -0.603 277 HD3 ARG 35 1HD ARG 35 -7.336 -9.200 0.386 278 HH11 ARG 35 1HH1 ARG 35 -6.373 -10.352 -2.870 279 HH12 ARG 35 2HH1 ARG 35 -6.997 -11.637 -3.851 280 HH21 ARG 35 1HH2 ARG 35 -9.562 -12.499 -1.642 281 HH22 ARG 35 2HH2 ARG 35 -8.817 -12.821 -3.187 282 HA PRO 36 HA PRO 36 -10.508 -8.289 -5.838 283 HB2 PRO 36 2HB PRO 36 -12.260 -6.414 -6.676 284 HB3 PRO 36 1HB PRO 36 -12.764 -7.854 -5.785 285 HG2 PRO 36 2HG PRO 36 -12.350 -5.065 -4.797 286 HG3 PRO 36 1HG PRO 36 -13.642 -6.212 -4.401 287 HD2 PRO 36 2HD PRO 36 -11.494 -5.749 -2.781 288 HD3 PRO 36 1HD PRO 36 -12.364 -7.295 -2.827 289 H ASN 37 HN ASN 37 -8.228 -7.463 -5.760 290 HA ASN 37 HA ASN 37 -6.550 -6.374 -6.820 291 HB2 ASN 37 2HB ASN 37 -8.804 -5.066 -8.347 292 HB3 ASN 37 1HB ASN 37 -7.101 -4.784 -8.692 293 HD21 ASN 37 1HD2 ASN 37 -5.855 -6.479 -9.512 294 HD22 ASN 37 2HD2 ASN 37 -6.573 -7.857 -10.273 295 H LEU 38 HN LEU 38 -8.819 -4.851 -4.935 296 HA LEU 38 HA LEU 38 -7.302 -2.372 -4.686 297 HG LEU 38 HG LEU 38 -9.638 -1.588 -5.644 298 HB2 LEU 38 2HB LEU 38 -9.979 -3.322 -3.880 299 HB3 LEU 38 1HB LEU 38 -9.188 -2.251 -2.740 300 HD11 LEU 38 1HD1 LEU 38 -11.772 -1.832 -4.480 301 HD12 LEU 38 2HD1 LEU 38 -11.445 -0.141 -4.850 302 HD13 LEU 38 3HD1 LEU 38 -11.210 -0.744 -3.211 303 HD21 LEU 38 3HD2 LEU 38 -9.112 0.691 -4.936 304 HD22 LEU 38 1HD2 LEU 38 -7.768 -0.404 -4.603 305 HD23 LEU 38 2HD2 LEU 38 -8.827 0.118 -3.293 306 H GLN 39 HN GLN 39 -5.476 -2.630 -3.497 307 HA GLN 39 HA GLN 39 -5.455 -4.504 -1.303 308 HB2 GLN 39 2HB GLN 39 -3.380 -2.719 -2.529 309 HB3 GLN 39 1HB GLN 39 -3.098 -3.528 -0.994 310 HG2 GLN 39 2HG GLN 39 -3.803 -5.660 -2.326 311 HG3 GLN 39 1HG GLN 39 -3.360 -4.677 -3.724 312 HE21 GLN 39 1HE2 GLN 39 -1.872 -4.273 -0.630 313 HE22 GLN 39 2HE2 GLN 39 -0.331 -4.900 -1.058 314 H LYS 40 HN LYS 40 -6.552 -3.858 0.430 315 HA LYS 40 HA LYS 40 -6.471 -1.154 1.361 316 HB2 LYS 40 2HB LYS 40 -7.584 -2.109 3.409 317 HB3 LYS 40 1HB LYS 40 -8.440 -2.360 1.897 318 HG2 LYS 40 2HG LYS 40 -7.563 -4.656 1.811 319 HG3 LYS 40 1HG LYS 40 -6.781 -4.396 3.372 320 HD2 LYS 40 2HD LYS 40 -9.743 -4.251 2.798 321 HD3 LYS 40 1HD LYS 40 -8.911 -5.539 3.672 322 HE2 LYS 40 2HE LYS 40 -8.421 -4.118 5.498 323 HE3 LYS 40 1HE LYS 40 -8.821 -2.671 4.572 324 HZ1 LYS 40 3HZ LYS 40 -10.532 -3.349 6.215 325 HZ2 LYS 40 1HZ LYS 40 -10.803 -4.756 5.306 326 HZ3 LYS 40 2HZ LYS 40 -11.112 -3.228 4.628 327 H VAL 41 HN VAL 41 -4.762 -0.283 2.226 328 HA VAL 41 HA VAL 41 -2.803 -2.050 3.531 329 HB VAL 41 HB VAL 41 -1.088 -0.375 2.943 330 HG11 VAL 41 1HG1 VAL 41 -1.431 -2.272 1.468 331 HG12 VAL 41 2HG1 VAL 41 -1.034 -0.835 0.525 332 HG13 VAL 41 3HG1 VAL 41 -2.701 -1.400 0.611 333 HG21 VAL 41 3HG2 VAL 41 -1.617 1.385 1.310 334 HG22 VAL 41 1HG2 VAL 41 -2.474 1.620 2.831 335 HG23 VAL 41 2HG2 VAL 41 -3.328 0.969 1.431 336 H ARG 42 HN ARG 42 -1.398 -0.861 5.132 337 HA ARG 42 HA ARG 42 -3.268 0.258 7.049 338 HE ARG 42 HE ARG 42 1.036 -0.961 9.947 339 HB2 ARG 42 2HB ARG 42 -1.801 -1.686 7.587 340 HB3 ARG 42 1HB ARG 42 -0.403 -0.639 7.418 341 HG2 ARG 42 2HG ARG 42 -0.998 0.617 9.331 342 HG3 ARG 42 1HG ARG 42 -2.604 -0.120 9.391 343 HD2 ARG 42 2HD ARG 42 -1.129 -1.083 11.079 344 HD3 ARG 42 1HD ARG 42 -1.611 -2.284 9.883 345 HH11 ARG 42 1HH1 ARG 42 -0.988 -3.756 9.268 346 HH12 ARG 42 2HH1 ARG 42 0.341 -4.759 8.782 347 HH21 ARG 42 1HH2 ARG 42 2.777 -2.299 9.317 348 HH22 ARG 42 2HH2 ARG 42 2.475 -3.932 8.807 349 H VAL 43 HN VAL 43 -3.516 2.377 6.985 350 HA VAL 43 HA VAL 43 -1.147 4.078 6.553 351 HB VAL 43 HB VAL 43 -2.655 5.756 5.548 352 HG11 VAL 43 1HG1 VAL 43 -1.449 4.253 4.081 353 HG12 VAL 43 2HG1 VAL 43 -3.047 4.590 3.415 354 HG13 VAL 43 3HG1 VAL 43 -2.734 3.050 4.217 355 HG21 VAL 43 3HG2 VAL 43 -4.738 5.104 6.642 356 HG22 VAL 43 1HG2 VAL 43 -4.753 3.590 5.735 357 HG23 VAL 43 2HG2 VAL 43 -4.931 5.127 4.889 358 H VAL 44 HN VAL 44 -1.619 6.386 7.367 359 HA VAL 44 HA VAL 44 -2.597 6.094 10.119 360 HB VAL 44 HB VAL 44 -0.252 6.741 9.952 361 HG11 VAL 44 1HG1 VAL 44 -0.282 7.836 7.785 362 HG12 VAL 44 2HG1 VAL 44 0.425 8.892 9.008 363 HG13 VAL 44 3HG1 VAL 44 -1.226 9.167 8.452 364 HG21 VAL 44 3HG2 VAL 44 -1.526 7.577 11.846 365 HG22 VAL 44 1HG2 VAL 44 -1.998 9.004 10.921 366 HG23 VAL 44 2HG2 VAL 44 -0.305 8.754 11.358 367 H LEU 45 HN LEU 45 -4.266 7.229 10.847 368 HA LEU 45 HA LEU 45 -5.655 9.012 9.011 369 HG LEU 45 HG LEU 45 -6.573 6.194 9.990 370 HB2 LEU 45 2HB LEU 45 -6.390 7.906 11.723 371 HB3 LEU 45 1HB LEU 45 -7.413 8.979 10.795 372 HD11 LEU 45 1HD1 LEU 45 -8.198 6.213 11.797 373 HD12 LEU 45 2HD1 LEU 45 -8.939 5.659 10.295 374 HD13 LEU 45 3HD1 LEU 45 -9.234 7.299 10.870 375 HD21 LEU 45 3HD2 LEU 45 -8.130 6.480 8.126 376 HD22 LEU 45 1HD2 LEU 45 -6.802 7.639 8.047 377 HD23 LEU 45 2HD2 LEU 45 -8.394 8.159 8.604 378 HA PRO 46 HA PRO 46 -4.191 12.758 10.931 379 HB2 PRO 46 2HB PRO 46 -6.463 14.278 10.557 380 HB3 PRO 46 1HB PRO 46 -5.222 14.022 9.328 381 HG2 PRO 46 2HG PRO 46 -7.858 12.662 9.677 382 HG3 PRO 46 1HG PRO 46 -7.050 13.178 8.185 383 HD2 PRO 46 2HD PRO 46 -7.067 10.608 8.983 384 HD3 PRO 46 1HD PRO 46 -5.672 11.320 8.143 385 H ASP 47 HN ASP 47 -7.138 11.158 11.779 386 HA ASP 47 HA ASP 47 -7.835 12.574 14.115 387 HB2 ASP 47 2HB ASP 47 -8.343 9.675 13.388 388 HB3 ASP 47 1HB ASP 47 -9.159 10.561 14.672 389 H GLY 48 HN GLY 48 -5.228 10.509 13.443 390 HA2 GLY 48 2HA GLY 48 -3.451 10.056 14.910 391 HA3 GLY 48 1HA GLY 48 -4.500 10.432 16.272 392 H THR 49 HN THR 49 -5.064 8.227 13.580 393 HA THR 49 HA THR 49 -5.001 5.959 15.426 394 HB THR 49 HB THR 49 -7.271 6.225 13.470 395 HG1 THR 49 1HG THR 49 -7.123 7.244 16.141 396 HG21 THR 49 3HG2 THR 49 -8.377 4.698 15.057 397 HG22 THR 49 1HG2 THR 49 -6.927 4.709 16.062 398 HG23 THR 49 2HG2 THR 49 -6.870 4.026 14.440 399 H ILE 50 HN ILE 50 -4.869 3.889 14.304 400 HA ILE 50 HA ILE 50 -3.625 4.139 11.653 401 HB ILE 50 HB ILE 50 -3.417 2.007 13.785 402 HG12 ILE 50 2HG1 ILE 50 -0.928 2.461 13.362 403 HG13 ILE 50 1HG1 ILE 50 -1.451 3.879 12.466 404 HG21 ILE 50 1HG2 ILE 50 -3.676 0.850 11.675 405 HG22 ILE 50 2HG2 ILE 50 -2.015 0.709 12.253 406 HG23 ILE 50 3HG2 ILE 50 -2.402 1.837 10.954 407 HD11 ILE 50 3HD1 ILE 50 -2.501 4.773 14.464 408 HD12 ILE 50 1HD1 ILE 50 -0.794 4.435 14.743 409 HD13 ILE 50 2HD1 ILE 50 -2.023 3.338 15.370 410 H LYS 51 HN LYS 51 -4.646 3.361 9.897 411 HA LYS 51 HA LYS 51 -6.959 1.588 10.300 412 HB2 LYS 51 2HB LYS 51 -7.704 3.961 10.162 413 HB3 LYS 51 1HB LYS 51 -6.965 4.073 8.574 414 HG2 LYS 51 2HG LYS 51 -9.258 3.749 8.199 415 HG3 LYS 51 1HG LYS 51 -8.497 2.188 7.876 416 HD2 LYS 51 2HD LYS 51 -9.107 1.444 10.140 417 HD3 LYS 51 1HD LYS 51 -9.910 2.992 10.415 418 HE2 LYS 51 2HE LYS 51 -11.561 1.343 9.818 419 HE3 LYS 51 1HE LYS 51 -11.411 2.508 8.506 420 HZ1 LYS 51 3HZ LYS 51 -11.520 0.121 7.833 421 HZ2 LYS 51 1HZ LYS 51 -9.992 -0.097 8.526 422 HZ3 LYS 51 2HZ LYS 51 -10.195 0.968 7.216 423 H ARG 52 HN ARG 52 -7.321 0.130 8.668 424 HA ARG 52 HA ARG 52 -5.403 0.144 6.452 425 HE ARG 52 HE ARG 52 -4.347 -3.824 9.699 426 HB2 ARG 52 2HB ARG 52 -7.334 -2.004 7.346 427 HB3 ARG 52 1HB ARG 52 -6.239 -2.143 5.975 428 HG2 ARG 52 2HG ARG 52 -4.351 -1.757 7.597 429 HG3 ARG 52 1HG ARG 52 -5.537 -1.955 8.890 430 HD2 ARG 52 2HD ARG 52 -6.143 -4.153 7.826 431 HD3 ARG 52 1HD ARG 52 -4.726 -3.956 6.799 432 HH11 ARG 52 1HH1 ARG 52 -3.969 -5.638 6.716 433 HH12 ARG 52 2HH1 ARG 52 -2.845 -6.768 7.401 434 HH21 ARG 52 1HH2 ARG 52 -2.873 -5.299 10.592 435 HH22 ARG 52 2HH2 ARG 52 -2.177 -6.543 9.593 436 H MET 53 HN MET 53 -5.986 1.071 4.664 437 HA MET 53 HA MET 53 -8.866 1.207 4.015 438 HB2 MET 53 2HB MET 53 -6.812 3.355 3.465 439 HB3 MET 53 1HB MET 53 -8.524 3.431 3.082 440 HG2 MET 53 2HG MET 53 -9.059 3.345 5.466 441 HG3 MET 53 1HG MET 53 -7.340 3.294 5.844 442 HE1 MET 53 3HE MET 53 -9.548 6.916 4.027 443 HE2 MET 53 1HE MET 53 -10.331 5.428 4.552 444 HE3 MET 53 2HE MET 53 -9.292 5.422 3.128 445 H ARG 54 HN ARG 54 -9.459 0.938 1.923 446 HA ARG 54 HA ARG 54 -7.770 -0.644 0.293 447 HE ARG 54 HE ARG 54 -12.905 -0.966 1.330 448 HB2 ARG 54 2HB ARG 54 -10.424 0.682 -0.212 449 HB3 ARG 54 1HB ARG 54 -9.620 -0.298 -1.425 450 HG2 ARG 54 2HG ARG 54 -9.728 -2.236 0.009 451 HG3 ARG 54 1HG ARG 54 -10.409 -1.266 1.315 452 HD2 ARG 54 2HD ARG 54 -11.766 -1.436 -1.352 453 HD3 ARG 54 1HD ARG 54 -11.999 -2.690 -0.136 454 HH11 ARG 54 1HH1 ARG 54 -12.634 -0.141 -2.068 455 HH12 ARG 54 2HH1 ARG 54 -13.927 1.015 -2.023 456 HH21 ARG 54 1HH2 ARG 54 -14.590 0.543 1.406 457 HH22 ARG 54 2HH2 ARG 54 -15.020 1.440 -0.025 458 H VAL 55 HN VAL 55 -6.088 0.062 -0.801 459 HA VAL 55 HA VAL 55 -6.335 2.620 -2.234 460 HB VAL 55 HB VAL 55 -3.787 1.520 -1.024 461 HG11 VAL 55 1HG1 VAL 55 -4.348 4.144 -2.398 462 HG12 VAL 55 2HG1 VAL 55 -3.409 2.805 -3.059 463 HG13 VAL 55 3HG1 VAL 55 -2.825 3.681 -1.644 464 HG21 VAL 55 3HG2 VAL 55 -3.913 3.357 0.562 465 HG22 VAL 55 1HG2 VAL 55 -5.342 2.335 0.700 466 HG23 VAL 55 2HG2 VAL 55 -5.443 3.884 -0.137 467 H CYS 56 HN CYS 56 -5.945 2.519 -4.351 468 HA CYS 56 HA CYS 56 -5.438 -0.057 -5.524 469 HG CYS 56 HG CYS 56 -6.760 3.779 -7.801 470 HB2 CYS 56 2HB CYS 56 -5.565 1.306 -7.692 471 HB3 CYS 56 1HB CYS 56 -7.016 1.215 -6.698 472 H THR 57 HN THR 57 -3.722 -0.585 -6.952 473 HA THR 57 HA THR 57 -1.198 -0.040 -5.933 474 HB THR 57 HB THR 57 -1.838 -1.080 -8.697 475 HG1 THR 57 1HG THR 57 -2.544 -2.810 -7.698 476 HG21 THR 57 3HG2 THR 57 0.297 -2.258 -8.493 477 HG22 THR 57 1HG2 THR 57 0.557 -1.536 -6.903 478 HG23 THR 57 2HG2 THR 57 0.534 -0.518 -8.342 479 H SER 58 HN SER 58 -2.953 1.567 -8.514 480 HA SER 58 HA SER 58 -0.829 2.957 -9.697 481 HG SER 58 HG SER 58 -4.355 4.365 -8.980 482 HB2 SER 58 2HB SER 58 -2.699 4.645 -10.268 483 HB3 SER 58 1HB SER 58 -2.872 2.992 -10.868 484 H CYS 59 HN CYS 59 -2.817 3.679 -6.889 485 HA CYS 59 HA CYS 59 -1.540 6.190 -6.342 486 HG CYS 59 HG CYS 59 -4.759 7.325 -5.191 487 HB2 CYS 59 2HB CYS 59 -3.443 4.439 -4.785 488 HB3 CYS 59 1HB CYS 59 -2.840 5.970 -4.176 489 H LEU 60 HN LEU 60 -1.246 2.860 -5.286 490 HA LEU 60 HA LEU 60 0.430 3.245 -3.068 491 HG LEU 60 HG LEU 60 -1.845 1.335 -3.506 492 HB2 LEU 60 2HB LEU 60 0.128 0.910 -4.948 493 HB3 LEU 60 1HB LEU 60 1.139 0.864 -3.518 494 HD11 LEU 60 1HD1 LEU 60 -1.994 -0.918 -2.589 495 HD12 LEU 60 2HD1 LEU 60 -0.252 -1.121 -2.779 496 HD13 LEU 60 3HD1 LEU 60 -1.279 -0.934 -4.201 497 HD21 LEU 60 3HD2 LEU 60 0.116 0.885 -1.257 498 HD22 LEU 60 1HD2 LEU 60 -1.634 1.004 -1.088 499 HD23 LEU 60 2HD2 LEU 60 -0.704 2.398 -1.633 500 H LYS 61 HN LYS 61 1.162 2.882 -6.499 501 HA LYS 61 HA LYS 61 3.920 2.499 -6.320 502 HB2 LYS 61 2HB LYS 61 2.576 2.209 -8.386 503 HB3 LYS 61 1HB LYS 61 2.395 3.953 -8.494 504 HG2 LYS 61 2HG LYS 61 5.138 2.778 -8.419 505 HG3 LYS 61 1HG LYS 61 4.203 2.710 -9.912 506 HD2 LYS 61 2HD LYS 61 3.972 5.124 -9.911 507 HD3 LYS 61 1HD LYS 61 4.799 5.228 -8.358 508 HE2 LYS 61 2HE LYS 61 6.027 4.168 -10.903 509 HE3 LYS 61 1HE LYS 61 6.257 5.797 -10.274 510 HZ1 LYS 61 3HZ LYS 61 7.097 3.257 -8.985 511 HZ2 LYS 61 1HZ LYS 61 7.195 4.779 -8.242 512 HZ3 LYS 61 2HZ LYS 61 8.110 4.453 -9.631 513 H SER 62 HN SER 62 2.200 5.564 -6.948 514 HA SER 62 HA SER 62 4.537 7.147 -6.701 515 HG SER 62 HG SER 62 3.140 7.810 -8.792 516 HB2 SER 62 2HB SER 62 1.681 8.072 -6.363 517 HB3 SER 62 1HB SER 62 3.063 9.027 -6.899 518 H GLY 63 HN GLY 63 2.119 6.029 -4.441 519 HA2 GLY 63 2HA GLY 63 2.062 6.098 -2.143 520 HA3 GLY 63 1HA GLY 63 3.719 6.690 -2.183 521 H LYS 64 HN LYS 64 0.880 8.154 -3.662 522 HA LYS 64 HA LYS 64 1.505 10.627 -2.259 523 HB2 LYS 64 2HB LYS 64 -0.278 11.572 -3.837 524 HB3 LYS 64 1HB LYS 64 1.236 11.034 -4.543 525 HG2 LYS 64 2HG LYS 64 -0.398 10.255 -6.003 526 HG3 LYS 64 1HG LYS 64 0.030 8.842 -5.045 527 HD2 LYS 64 2HD LYS 64 -2.369 8.951 -5.318 528 HD3 LYS 64 1HD LYS 64 -1.951 9.241 -3.629 529 HE2 LYS 64 2HE LYS 64 -3.696 10.777 -4.411 530 HE3 LYS 64 1HE LYS 64 -2.230 11.633 -3.941 531 HZ1 LYS 64 3HZ LYS 64 -3.246 12.438 -6.035 532 HZ2 LYS 64 1HZ LYS 64 -2.913 10.934 -6.748 533 HZ3 LYS 64 2HZ LYS 64 -1.641 11.920 -6.223 534 H VAL 65 HN VAL 65 0.025 8.142 -1.227 535 HA VAL 65 HA VAL 65 -2.370 9.472 -0.196 536 HB VAL 65 HB VAL 65 -2.985 7.272 0.733 537 HG11 VAL 65 1HG1 VAL 65 -2.275 7.194 -2.194 538 HG12 VAL 65 2HG1 VAL 65 -3.755 7.847 -1.493 539 HG13 VAL 65 3HG1 VAL 65 -3.420 6.122 -1.388 540 HG21 VAL 65 3HG2 VAL 65 -0.479 6.281 -0.625 541 HG22 VAL 65 1HG2 VAL 65 -1.700 5.275 0.156 542 HG23 VAL 65 2HG2 VAL 65 -0.736 6.398 1.117 543 H LYS 66 HN LYS 66 -2.771 9.027 2.218 544 HA LYS 66 HA LYS 66 -0.491 10.066 3.630 545 HB2 LYS 66 2HB LYS 66 -3.243 9.326 4.644 546 HB3 LYS 66 1HB LYS 66 -2.022 10.220 5.546 547 HG2 LYS 66 2HG LYS 66 -2.113 12.028 3.925 548 HG3 LYS 66 1HG LYS 66 -3.297 11.132 2.970 549 HD2 LYS 66 2HD LYS 66 -4.863 11.217 4.871 550 HD3 LYS 66 1HD LYS 66 -3.674 12.152 5.787 551 HE2 LYS 66 2HE LYS 66 -3.760 13.926 4.118 552 HE3 LYS 66 1HE LYS 66 -4.913 12.989 3.167 553 HZ1 LYS 66 3HZ LYS 66 -6.467 13.112 5.045 554 HZ2 LYS 66 1HZ LYS 66 -6.057 14.651 4.455 555 HZ3 LYS 66 2HZ LYS 66 -5.362 14.087 5.892 556 H LYS 67 HN LYS 67 0.941 8.312 3.423 557 HA LYS 67 HA LYS 67 0.286 5.728 4.514 558 HB2 LYS 67 2HB LYS 67 2.877 6.874 3.462 559 HB3 LYS 67 1HB LYS 67 2.663 5.201 3.958 560 HG2 LYS 67 2HG LYS 67 1.102 4.808 2.188 561 HG3 LYS 67 1HG LYS 67 1.076 6.521 1.766 562 HD2 LYS 67 2HD LYS 67 2.471 5.199 0.225 563 HD3 LYS 67 1HD LYS 67 3.403 6.422 1.089 564 HE2 LYS 67 2HE LYS 67 4.174 4.704 2.665 565 HE3 LYS 67 1HE LYS 67 3.260 3.485 1.778 566 HZ1 LYS 67 3HZ LYS 67 5.423 5.130 0.578 567 HZ2 LYS 67 1HZ LYS 67 4.641 3.797 -0.122 568 HZ3 LYS 67 2HZ LYS 67 5.659 3.576 1.217 569 H TYR 68 HN TYR 68 1.041 4.813 6.385 570 HA TYR 68 HA TYR 68 2.132 6.635 8.377 571 HD1 TYR 68 2HD TYR 68 1.664 6.771 10.800 572 HD2 TYR 68 1HD TYR 68 2.162 2.578 10.293 573 HE1 TYR 68 2HE TYR 68 2.645 6.623 13.048 574 HE2 TYR 68 1HE TYR 68 3.144 2.415 12.543 575 HH TYR 68 HH TYR 68 3.027 5.034 14.790 576 HB2 TYR 68 2HB TYR 68 0.269 5.236 9.092 577 HB3 TYR 68 1HB TYR 68 1.140 3.783 8.613 578 H VAL 69 HN VAL 69 4.277 6.877 8.265 579 HA VAL 69 HA VAL 69 5.964 4.612 7.542 580 HB VAL 69 HB VAL 69 6.755 7.477 8.114 581 HG11 VAL 69 1HG1 VAL 69 8.862 6.890 7.033 582 HG12 VAL 69 2HG1 VAL 69 8.303 5.229 6.835 583 HG13 VAL 69 3HG1 VAL 69 8.575 5.880 8.450 584 HG21 VAL 69 3HG2 VAL 69 6.976 7.686 5.669 585 HG22 VAL 69 1HG2 VAL 69 5.313 7.356 6.164 586 HG23 VAL 69 2HG2 VAL 69 6.306 6.063 5.486 587 H GLY 70 HN GLY 70 6.412 3.266 9.163 588 HA2 GLY 70 2HA GLY 70 7.907 4.108 11.413 589 HA3 GLY 70 1HA GLY 70 6.239 3.808 11.882 590 H GLN 71 HN GLN 71 9.093 2.363 10.414 591 HA GLN 71 HA GLN 71 9.897 0.243 10.339 592 HB2 GLN 71 2HB GLN 71 8.176 -0.087 12.798 593 HB3 GLN 71 1HB GLN 71 9.419 -1.216 12.275 594 HG2 GLN 71 2HG GLN 71 9.834 1.638 13.138 595 HG3 GLN 71 1HG GLN 71 10.271 0.188 14.040 596 HE21 GLN 71 1HE2 GLN 71 11.936 2.412 13.097 597 HE22 GLN 71 2HE2 GLN 71 13.170 1.694 12.128 598 H VAL 72 HN VAL 72 7.936 0.662 8.562 599 HA VAL 72 HA VAL 72 5.993 -1.516 8.780 600 HB VAL 72 HB VAL 72 4.964 -0.553 6.761 601 HG11 VAL 72 1HG1 VAL 72 4.221 0.231 8.927 602 HG12 VAL 72 2HG1 VAL 72 4.203 1.560 7.766 603 HG13 VAL 72 3HG1 VAL 72 5.502 1.443 8.953 604 HG21 VAL 72 3HG2 VAL 72 7.132 1.538 6.972 605 HG22 VAL 72 1HG2 VAL 72 5.748 1.596 5.878 606 HG23 VAL 72 2HG2 VAL 72 6.969 0.336 5.688 607 H SER 73 HN SER 73 8.927 -1.831 8.274 608 HA SER 73 HA SER 73 10.328 -3.124 7.051 609 HG SER 73 HG SER 73 8.005 -4.322 8.017 610 HB2 SER 73 2HB SER 73 7.861 -4.116 5.591 611 HB3 SER 73 1HB SER 73 9.439 -4.906 5.663 612 H GLU 74 HN GLU 74 9.968 -0.514 6.397 613 HA GLU 74 HA GLU 74 9.519 -0.175 3.582 614 HB2 GLU 74 2HB GLU 74 10.333 2.165 4.011 615 HB3 GLU 74 1HB GLU 74 8.946 1.674 4.967 616 HG2 GLU 74 2HG GLU 74 11.747 1.535 6.038 617 HG3 GLU 74 1HG GLU 74 10.775 3.000 6.131 618 H VAL 75 HN VAL 75 12.124 -1.153 5.483 619 HA VAL 75 HA VAL 75 14.117 -0.486 3.462 620 HB VAL 75 HB VAL 75 15.723 -1.636 4.995 621 HG11 VAL 75 1HG1 VAL 75 14.076 0.567 6.229 622 HG12 VAL 75 2HG1 VAL 75 15.403 0.775 5.089 623 HG13 VAL 75 3HG1 VAL 75 15.717 0.126 6.697 624 HG21 VAL 75 3HG2 VAL 75 14.154 -3.164 6.093 625 HG22 VAL 75 1HG2 VAL 75 13.348 -1.791 6.856 626 HG23 VAL 75 2HG2 VAL 75 15.017 -2.175 7.271 627 H GLY 76 HN GLY 76 15.039 -1.948 2.092 628 HA2 GLY 76 2HA GLY 76 14.930 -4.729 2.289 629 HA3 GLY 76 1HA GLY 76 13.505 -4.222 1.390 630 H SER 77 HN SER 77 14.390 -2.175 -0.115 631 HA SER 77 HA SER 77 16.795 -3.104 -1.515 632 HG SER 77 HG SER 77 15.423 -4.790 -2.599 633 HB2 SER 77 2HB SER 77 14.231 -2.226 -2.881 634 HB3 SER 77 1HB SER 77 15.720 -2.738 -3.679 Start of MODEL 12 1 HA GLN 1 HA GLN 1 -27.502 -0.832 -8.269 2 H1 GLN 1 1HT GLN 1 -29.584 -0.244 -10.286 3 H2 GLN 1 2HT GLN 1 -29.665 -1.451 -9.107 4 H3 GLN 1 3HT GLN 1 -28.498 -1.538 -10.328 5 HB2 GLN 1 2HB GLN 1 -27.715 1.423 -10.281 6 HB3 GLN 1 1HB GLN 1 -26.502 1.309 -9.020 7 HG2 GLN 1 2HG GLN 1 -25.406 0.606 -10.943 8 HG3 GLN 1 1HG GLN 1 -25.820 -0.893 -10.115 9 HE21 GLN 1 1HE2 GLN 1 -25.688 -2.070 -12.041 10 HE22 GLN 1 2HE2 GLN 1 -26.920 -1.956 -13.261 11 H GLY 2 HN GLY 2 -27.242 0.954 -6.734 12 HA2 GLY 2 2HA GLY 2 -29.704 2.530 -6.336 13 HA3 GLY 2 1HA GLY 2 -28.946 1.680 -4.995 14 H HIS 3 HN HIS 3 -28.753 3.834 -3.979 15 HA HIS 3 HA HIS 3 -26.892 5.670 -5.238 16 HD1 HIS 3 1HD HIS 3 -26.184 7.455 -1.507 17 HD2 HIS 3 2HD HIS 3 -27.659 8.579 -5.231 18 HE1 HIS 3 1HE HIS 3 -25.233 9.736 -1.953 19 HE2 HIS 3 2HE HIS 3 -25.960 10.296 -4.300 20 HB2 HIS 3 2HB HIS 3 -28.869 6.382 -3.785 21 HB3 HIS 3 1HB HIS 3 -27.919 5.843 -2.403 22 H MET 4 HN MET 4 -26.486 2.824 -3.823 23 HA MET 4 HA MET 4 -24.350 3.280 -2.001 24 HB2 MET 4 2HB MET 4 -25.019 0.779 -3.573 25 HB3 MET 4 1HB MET 4 -23.947 0.868 -2.183 26 HG2 MET 4 2HG MET 4 -25.796 1.490 -0.755 27 HG3 MET 4 1HG MET 4 -26.890 1.493 -2.141 28 HE1 MET 4 3HE MET 4 -26.906 -2.310 -3.143 29 HE2 MET 4 1HE MET 4 -25.841 -1.055 -3.772 30 HE3 MET 4 2HE MET 4 -27.549 -0.705 -3.507 31 H ILE 5 HN ILE 5 -24.629 2.956 -5.440 32 HA ILE 5 HA ILE 5 -23.164 3.025 -7.176 33 HB ILE 5 HB ILE 5 -21.074 4.201 -5.344 34 HG12 ILE 5 2HG1 ILE 5 -23.422 5.696 -6.543 35 HG13 ILE 5 1HG1 ILE 5 -23.263 5.287 -4.837 36 HG21 ILE 5 1HG2 ILE 5 -20.520 5.519 -7.330 37 HG22 ILE 5 2HG2 ILE 5 -21.849 4.759 -8.208 38 HG23 ILE 5 3HG2 ILE 5 -20.473 3.790 -7.680 39 HD11 ILE 5 3HD1 ILE 5 -21.235 6.664 -4.718 40 HD12 ILE 5 1HD1 ILE 5 -22.652 7.590 -5.220 41 HD13 ILE 5 2HD1 ILE 5 -21.450 7.100 -6.416 42 H MET 6 HN MET 6 -20.379 2.596 -7.319 43 HA MET 6 HA MET 6 -20.221 -0.190 -6.519 44 HB2 MET 6 2HB MET 6 -18.376 1.542 -8.169 45 HB3 MET 6 1HB MET 6 -18.099 -0.168 -7.849 46 HG2 MET 6 2HG MET 6 -20.194 -0.719 -8.980 47 HG3 MET 6 1HG MET 6 -20.485 0.994 -9.270 48 HE1 MET 6 3HE MET 6 -20.918 0.423 -11.796 49 HE2 MET 6 1HE MET 6 -20.550 -1.282 -11.525 50 HE3 MET 6 2HE MET 6 -19.757 -0.408 -12.831 51 H ALA 7 HN ALA 7 -19.560 -0.650 -4.563 52 HA ALA 7 HA ALA 7 -18.503 1.357 -2.856 53 HB1 ALA 7 1HB ALA 7 -18.794 -1.594 -2.322 54 HB2 ALA 7 2HB ALA 7 -20.066 -0.389 -2.120 55 HB3 ALA 7 3HB ALA 7 -18.617 -0.312 -1.120 56 H LYS 8 HN LYS 8 -16.975 -1.107 -4.770 57 HA LYS 8 HA LYS 8 -14.592 -1.134 -3.141 58 HB2 LYS 8 2HB LYS 8 -13.649 -2.598 -4.908 59 HB3 LYS 8 1HB LYS 8 -15.160 -3.192 -4.237 60 HG2 LYS 8 2HG LYS 8 -16.367 -2.549 -6.174 61 HG3 LYS 8 1HG LYS 8 -14.987 -1.653 -6.815 62 HD2 LYS 8 2HD LYS 8 -13.728 -3.783 -6.949 63 HD3 LYS 8 1HD LYS 8 -15.173 -4.640 -6.409 64 HE2 LYS 8 2HE LYS 8 -15.054 -2.916 -8.875 65 HE3 LYS 8 1HE LYS 8 -14.805 -4.659 -8.882 66 HZ1 LYS 8 3HZ LYS 8 -17.092 -3.949 -9.448 67 HZ2 LYS 8 1HZ LYS 8 -17.270 -3.348 -7.870 68 HZ3 LYS 8 2HZ LYS 8 -17.017 -5.006 -8.118 69 H ARG 9 HN ARG 9 -14.646 1.335 -3.411 70 HA ARG 9 HA ARG 9 -13.226 2.224 -5.806 71 HE ARG 9 HE ARG 9 -16.295 5.866 -6.196 72 HB2 ARG 9 2HB ARG 9 -14.099 3.780 -3.367 73 HB3 ARG 9 1HB ARG 9 -13.500 4.454 -4.873 74 HG2 ARG 9 2HG ARG 9 -15.974 2.777 -4.744 75 HG3 ARG 9 1HG ARG 9 -15.982 4.512 -4.478 76 HD2 ARG 9 2HD ARG 9 -14.497 4.086 -6.815 77 HD3 ARG 9 1HD ARG 9 -15.923 3.056 -6.942 78 HH11 ARG 9 1HH1 ARG 9 -16.629 3.311 -8.565 79 HH12 ARG 9 2HH1 ARG 9 -17.697 4.213 -9.593 80 HH21 ARG 9 1HH2 ARG 9 -17.675 7.088 -7.568 81 HH22 ARG 9 2HH2 ARG 9 -18.277 6.370 -9.038 82 H CYS 10 HN CYS 10 -11.272 3.518 -5.559 83 HA CYS 10 HA CYS 10 -9.526 2.688 -3.405 84 HG CYS 10 HG CYS 10 -7.250 4.001 -2.926 85 HB2 CYS 10 2HB CYS 10 -8.564 3.124 -5.641 86 HB3 CYS 10 1HB CYS 10 -9.111 4.792 -5.543 87 H GLU 11 HN GLU 11 -9.679 3.568 -1.468 88 HA GLU 11 HA GLU 11 -11.310 5.908 -1.051 89 HB2 GLU 11 2HB GLU 11 -9.713 4.283 0.941 90 HB3 GLU 11 1HB GLU 11 -10.995 5.431 1.317 91 HG2 GLU 11 2HG GLU 11 -12.601 4.026 0.136 92 HG3 GLU 11 1HG GLU 11 -11.325 2.876 -0.244 93 H VAL 12 HN VAL 12 -8.821 6.253 -2.490 94 HA VAL 12 HA VAL 12 -7.493 8.215 -0.754 95 HB VAL 12 HB VAL 12 -6.130 6.407 -2.767 96 HG11 VAL 12 1HG1 VAL 12 -4.991 8.527 -0.938 97 HG12 VAL 12 2HG1 VAL 12 -5.102 8.611 -2.697 98 HG13 VAL 12 3HG1 VAL 12 -4.047 7.422 -1.937 99 HG21 VAL 12 3HG2 VAL 12 -4.980 5.454 -0.815 100 HG22 VAL 12 1HG2 VAL 12 -6.722 5.200 -0.743 101 HG23 VAL 12 2HG2 VAL 12 -5.973 6.452 0.247 102 H CYS 13 HN CYS 13 -7.526 7.162 -4.164 103 HA CYS 13 HA CYS 13 -7.690 9.998 -4.934 104 HG CYS 13 HG CYS 13 -6.926 10.967 -7.283 105 HB2 CYS 13 2HB CYS 13 -5.629 8.830 -5.647 106 HB3 CYS 13 1HB CYS 13 -6.607 7.673 -6.539 107 H GLY 14 HN GLY 14 -9.155 6.863 -5.287 108 HA2 GLY 14 2HA GLY 14 -11.391 6.518 -5.949 109 HA3 GLY 14 1HA GLY 14 -11.366 8.075 -6.759 110 H LYS 15 HN LYS 15 -8.918 5.586 -7.126 111 HA LYS 15 HA LYS 15 -9.660 5.355 -9.950 112 HB2 LYS 15 2HB LYS 15 -7.084 4.527 -8.591 113 HB3 LYS 15 1HB LYS 15 -7.399 4.517 -10.323 114 HG2 LYS 15 2HG LYS 15 -7.707 6.968 -10.248 115 HG3 LYS 15 1HG LYS 15 -7.289 6.940 -8.537 116 HD2 LYS 15 2HD LYS 15 -5.337 7.574 -9.755 117 HD3 LYS 15 1HD LYS 15 -5.092 5.926 -9.172 118 HE2 LYS 15 2HE LYS 15 -5.524 5.012 -11.321 119 HE3 LYS 15 1HE LYS 15 -6.105 6.559 -11.938 120 HZ1 LYS 15 3HZ LYS 15 -3.893 7.452 -11.785 121 HZ2 LYS 15 1HZ LYS 15 -3.841 6.009 -12.676 122 HZ3 LYS 15 2HZ LYS 15 -3.311 6.034 -11.060 123 H ALA 16 HN ALA 16 -8.931 3.014 -10.805 124 HA ALA 16 HA ALA 16 -10.417 1.123 -9.100 125 HB1 ALA 16 1HB ALA 16 -10.518 1.295 -12.109 126 HB2 ALA 16 2HB ALA 16 -11.750 1.912 -11.009 127 HB3 ALA 16 3HB ALA 16 -11.426 0.179 -11.091 128 HA PRO 17 HA PRO 17 -6.280 -0.785 -9.731 129 HB2 PRO 17 2HB PRO 17 -6.424 -2.320 -7.485 130 HB3 PRO 17 1HB PRO 17 -5.901 -0.635 -7.463 131 HG2 PRO 17 2HG PRO 17 -8.578 -1.791 -6.815 132 HG3 PRO 17 1HG PRO 17 -7.669 -0.527 -5.965 133 HD2 PRO 17 2HD PRO 17 -9.701 0.049 -7.634 134 HD3 PRO 17 1HD PRO 17 -8.286 1.109 -7.472 135 H ARG 18 HN ARG 18 -6.291 -2.338 -11.273 136 HA ARG 18 HA ARG 18 -8.016 -4.677 -10.889 137 HE ARG 18 HE ARG 18 -8.934 -2.345 -15.924 138 HB2 ARG 18 2HB ARG 18 -6.179 -3.999 -13.197 139 HB3 ARG 18 1HB ARG 18 -7.240 -5.396 -13.115 140 HG2 ARG 18 2HG ARG 18 -9.114 -3.609 -12.818 141 HG3 ARG 18 1HG ARG 18 -7.917 -2.526 -13.539 142 HD2 ARG 18 2HD ARG 18 -7.655 -4.299 -15.350 143 HD3 ARG 18 1HD ARG 18 -9.125 -5.019 -14.702 144 HH11 ARG 18 1HH1 ARG 18 -10.845 -5.087 -14.885 145 HH12 ARG 18 2HH1 ARG 18 -12.229 -4.651 -15.839 146 HH21 ARG 18 1HH2 ARG 18 -10.763 -1.736 -17.155 147 HH22 ARG 18 2HH2 ARG 18 -12.184 -2.740 -17.127 148 H SER 19 HN SER 19 -7.180 -5.960 -9.406 149 HA SER 19 HA SER 19 -5.834 -7.470 -8.393 150 HG SER 19 HG SER 19 -5.109 -9.288 -11.200 151 HB2 SER 19 2HB SER 19 -4.015 -7.136 -10.787 152 HB3 SER 19 1HB SER 19 -3.939 -8.431 -9.593 153 H GLY 20 HN GLY 20 -3.733 -7.678 -7.289 154 HA2 GLY 20 2HA GLY 20 -1.796 -5.604 -7.385 155 HA3 GLY 20 1HA GLY 20 -2.883 -5.370 -6.019 156 H ASN 21 HN ASN 21 -3.279 -7.440 -4.746 157 HA ASN 21 HA ASN 21 -1.233 -9.428 -4.740 158 HB2 ASN 21 2HB ASN 21 -0.019 -7.575 -3.631 159 HB3 ASN 21 1HB ASN 21 -1.291 -7.485 -2.417 160 HD21 ASN 21 1HD2 ASN 21 0.081 -7.944 -0.737 161 HD22 ASN 21 2HD2 ASN 21 0.766 -9.515 -0.485 162 H THR 22 HN THR 22 -2.615 -11.064 -4.577 163 HA THR 22 HA THR 22 -4.925 -10.892 -2.844 164 HB THR 22 HB THR 22 -3.986 -13.263 -4.470 165 HG1 THR 22 1HG THR 22 -4.909 -10.906 -5.313 166 HG21 THR 22 3HG2 THR 22 -5.618 -13.815 -2.724 167 HG22 THR 22 1HG2 THR 22 -6.329 -13.970 -4.330 168 HG23 THR 22 2HG2 THR 22 -6.697 -12.561 -3.336 169 H VAL 23 HN VAL 23 -4.064 -10.812 -0.784 170 HA VAL 23 HA VAL 23 -2.175 -12.716 0.183 171 HB VAL 23 HB VAL 23 -2.749 -11.814 2.434 172 HG11 VAL 23 1HG1 VAL 23 -2.158 -9.773 0.295 173 HG12 VAL 23 2HG1 VAL 23 -0.980 -10.788 1.130 174 HG13 VAL 23 3HG1 VAL 23 -1.869 -9.551 2.023 175 HG21 VAL 23 3HG2 VAL 23 -5.099 -11.289 2.070 176 HG22 VAL 23 1HG2 VAL 23 -4.660 -10.066 0.879 177 HG23 VAL 23 2HG2 VAL 23 -4.224 -9.845 2.572 178 H SER 24 HN SER 24 -2.550 -14.352 1.761 179 HA SER 24 HA SER 24 -4.894 -15.886 1.154 180 HG SER 24 HG SER 24 -3.942 -18.514 1.719 181 HB2 SER 24 2HB SER 24 -2.615 -16.886 1.445 182 HB3 SER 24 1HB SER 24 -2.717 -16.499 3.162 183 H HIS 25 HN HIS 25 -5.291 -17.193 3.641 184 HA HIS 25 HA HIS 25 -6.756 -15.030 4.993 185 HD1 HIS 25 1HD HIS 25 -7.955 -19.147 6.348 186 HD2 HIS 25 2HD HIS 25 -7.250 -18.524 2.291 187 HE1 HIS 25 1HE HIS 25 -7.636 -21.434 5.351 188 HE2 HIS 25 2HE HIS 25 -7.169 -21.040 2.904 189 HB2 HIS 25 2HB HIS 25 -8.462 -16.769 5.587 190 HB3 HIS 25 1HB HIS 25 -8.346 -16.411 3.871 191 H SER 26 HN SER 26 -5.169 -14.633 6.564 192 HA SER 26 HA SER 26 -4.573 -16.661 8.509 193 HG SER 26 HG SER 26 -2.158 -15.264 8.431 194 HB2 SER 26 2HB SER 26 -4.410 -13.641 8.749 195 HB3 SER 26 1HB SER 26 -3.684 -14.804 9.859 196 H ASP 27 HN ASP 27 -6.548 -13.702 8.602 197 HA ASP 27 HA ASP 27 -8.726 -15.259 9.748 198 HB2 ASP 27 2HB ASP 27 -7.723 -14.252 11.729 199 HB3 ASP 27 1HB ASP 27 -7.753 -12.662 10.965 200 H LYS 28 HN LYS 28 -9.838 -15.106 7.864 201 HA LYS 28 HA LYS 28 -10.917 -12.452 7.276 202 HB2 LYS 28 2HB LYS 28 -9.773 -14.354 5.221 203 HB3 LYS 28 1HB LYS 28 -10.797 -12.981 4.820 204 HG2 LYS 28 2HG LYS 28 -9.145 -11.471 5.819 205 HG3 LYS 28 1HG LYS 28 -8.116 -12.855 6.187 206 HD2 LYS 28 2HD LYS 28 -7.873 -13.339 3.823 207 HD3 LYS 28 1HD LYS 28 -8.991 -12.035 3.416 208 HE2 LYS 28 2HE LYS 28 -6.735 -11.272 3.071 209 HE3 LYS 28 1HE LYS 28 -7.423 -10.425 4.454 210 HZ1 LYS 28 3HZ LYS 28 -5.532 -12.720 4.557 211 HZ2 LYS 28 1HZ LYS 28 -6.244 -11.985 5.913 212 HZ3 LYS 28 2HZ LYS 28 -5.182 -11.103 4.934 213 H LYS 29 HN LYS 29 -12.878 -12.870 8.090 214 HA LYS 29 HA LYS 29 -14.229 -15.355 7.594 215 HB2 LYS 29 2HB LYS 29 -16.163 -14.080 8.741 216 HB3 LYS 29 1HB LYS 29 -14.738 -14.490 9.686 217 HG2 LYS 29 2HG LYS 29 -13.885 -12.191 9.292 218 HG3 LYS 29 1HG LYS 29 -15.420 -11.806 8.507 219 HD2 LYS 29 2HD LYS 29 -16.627 -12.232 10.539 220 HD3 LYS 29 1HD LYS 29 -15.170 -12.832 11.335 221 HE2 LYS 29 2HE LYS 29 -15.512 -10.020 10.304 222 HE3 LYS 29 1HE LYS 29 -15.804 -10.506 11.972 223 HZ1 LYS 29 3HZ LYS 29 -13.211 -10.706 10.526 224 HZ2 LYS 29 1HZ LYS 29 -13.481 -11.211 12.121 225 HZ3 LYS 29 2HZ LYS 29 -13.603 -9.570 11.718 226 H SER 30 HN SER 30 -14.258 -15.384 5.359 227 HA SER 30 HA SER 30 -16.719 -14.606 4.231 228 HG SER 30 HG SER 30 -13.514 -13.832 3.061 229 HB2 SER 30 2HB SER 30 -15.776 -13.151 2.395 230 HB3 SER 30 1HB SER 30 -15.753 -12.401 3.991 231 H GLU 31 HN GLU 31 -17.152 -16.369 3.070 232 HA GLU 31 HA GLU 31 -15.246 -18.267 2.300 233 HB2 GLU 31 2HB GLU 31 -17.962 -17.866 1.045 234 HB3 GLU 31 1HB GLU 31 -17.008 -19.343 1.033 235 HG2 GLU 31 2HG GLU 31 -18.481 -19.825 2.696 236 HG3 GLU 31 1HG GLU 31 -17.187 -19.091 3.642 237 H ARG 32 HN ARG 32 -16.951 -15.853 0.347 238 HA ARG 32 HA ARG 32 -14.971 -16.248 -1.783 239 HE ARG 32 HE ARG 32 -18.230 -12.652 -5.057 240 HB2 ARG 32 2HB ARG 32 -17.134 -16.516 -2.694 241 HB3 ARG 32 1HB ARG 32 -17.781 -15.157 -1.787 242 HG2 ARG 32 2HG ARG 32 -16.552 -13.601 -3.170 243 HG3 ARG 32 1HG ARG 32 -15.786 -14.933 -4.036 244 HD2 ARG 32 2HD ARG 32 -17.784 -15.551 -5.084 245 HD3 ARG 32 1HD ARG 32 -18.772 -14.649 -3.937 246 HH11 ARG 32 1HH1 ARG 32 -16.848 -15.470 -6.631 247 HH12 ARG 32 2HH1 ARG 32 -16.514 -14.628 -8.110 248 HH21 ARG 32 1HH2 ARG 32 -17.825 -11.571 -7.010 249 HH22 ARG 32 2HH2 ARG 32 -17.099 -12.425 -8.343 250 H TRP 33 HN TRP 33 -13.416 -14.793 -1.971 251 HA TRP 33 HA TRP 33 -13.336 -12.353 -0.550 252 HD1 TRP 33 1HD TRP 33 -9.881 -11.697 -0.140 253 HE1 TRP 33 1HE TRP 33 -8.766 -13.368 1.467 254 HE3 TRP 33 3HE TRP 33 -12.233 -15.975 -1.659 255 HZ2 TRP 33 2HZ TRP 33 -8.876 -16.132 2.028 256 HZ3 TRP 33 3HZ TRP 33 -11.675 -18.088 -0.529 257 HH2 TRP 33 2HH TRP 33 -10.032 -18.165 1.277 258 HB2 TRP 33 2HB TRP 33 -11.703 -13.489 -2.813 259 HB3 TRP 33 1HB TRP 33 -11.402 -11.876 -2.183 260 H PHE 34 HN PHE 34 -14.992 -10.987 -0.975 261 HA PHE 34 HA PHE 34 -16.074 -10.438 -3.500 262 HD1 PHE 34 2HD PHE 34 -18.610 -9.418 -3.591 263 HD2 PHE 34 1HD PHE 34 -16.207 -6.527 -1.595 264 HE1 PHE 34 2HE PHE 34 -19.851 -7.614 -4.716 265 HE2 PHE 34 1HE PHE 34 -17.444 -4.719 -2.713 266 HZ PHE 34 HZ PHE 34 -19.268 -5.263 -4.276 267 HB2 PHE 34 2HB PHE 34 -17.287 -9.913 -1.465 268 HB3 PHE 34 1HB PHE 34 -16.045 -8.765 -0.986 269 H ARG 35 HN ARG 35 -13.261 -9.286 -1.939 270 HA ARG 35 HA ARG 35 -12.612 -7.755 -4.316 271 HE ARG 35 HE ARG 35 -13.323 -5.902 1.381 272 HB2 ARG 35 2HB ARG 35 -11.666 -5.877 -2.964 273 HB3 ARG 35 1HB ARG 35 -13.415 -5.994 -2.920 274 HG2 ARG 35 2HG ARG 35 -11.713 -7.153 -0.739 275 HG3 ARG 35 1HG ARG 35 -12.177 -5.451 -0.752 276 HD2 ARG 35 2HD ARG 35 -14.555 -6.164 -0.867 277 HD3 ARG 35 1HD ARG 35 -14.026 -7.836 -0.714 278 HH11 ARG 35 1HH1 ARG 35 -15.112 -8.736 0.365 279 HH12 ARG 35 2HH1 ARG 35 -15.512 -9.219 1.979 280 HH21 ARG 35 1HH2 ARG 35 -13.845 -6.562 3.531 281 HH22 ARG 35 2HH2 ARG 35 -14.798 -8.001 3.762 282 HA PRO 36 HA PRO 36 -8.949 -10.285 -3.171 283 HB2 PRO 36 2HB PRO 36 -8.772 -10.585 -6.079 284 HB3 PRO 36 1HB PRO 36 -8.856 -11.838 -4.839 285 HG2 PRO 36 2HG PRO 36 -10.894 -11.353 -6.546 286 HG3 PRO 36 1HG PRO 36 -11.155 -11.922 -4.888 287 HD2 PRO 36 2HD PRO 36 -11.408 -9.155 -6.006 288 HD3 PRO 36 1HD PRO 36 -12.450 -9.997 -4.841 289 H ASN 37 HN ASN 37 -9.586 -8.095 -5.854 290 HA ASN 37 HA ASN 37 -6.973 -6.981 -6.012 291 HB2 ASN 37 2HB ASN 37 -8.089 -5.205 -7.362 292 HB3 ASN 37 1HB ASN 37 -8.471 -6.832 -7.919 293 HD21 ASN 37 1HD2 ASN 37 -10.544 -7.596 -7.745 294 HD22 ASN 37 2HD2 ASN 37 -11.886 -6.592 -7.308 295 H LEU 38 HN LEU 38 -7.499 -4.227 -5.984 296 HA LEU 38 HA LEU 38 -7.357 -2.448 -4.587 297 HG LEU 38 HG LEU 38 -10.041 -2.775 -5.046 298 HB2 LEU 38 2HB LEU 38 -9.281 -4.154 -3.018 299 HB3 LEU 38 1HB LEU 38 -8.684 -2.638 -2.371 300 HD11 LEU 38 1HD1 LEU 38 -11.314 -2.360 -2.344 301 HD12 LEU 38 2HD1 LEU 38 -11.562 -3.746 -3.405 302 HD13 LEU 38 3HD1 LEU 38 -12.115 -2.146 -3.901 303 HD21 LEU 38 3HD2 LEU 38 -9.649 -0.573 -3.023 304 HD22 LEU 38 1HD2 LEU 38 -10.489 -0.418 -4.567 305 HD23 LEU 38 2HD2 LEU 38 -8.759 -0.762 -4.533 306 H GLN 39 HN GLN 39 -5.473 -2.058 -3.752 307 HA GLN 39 HA GLN 39 -4.056 -3.975 -2.164 308 HB2 GLN 39 2HB GLN 39 -3.435 -1.097 -2.857 309 HB3 GLN 39 1HB GLN 39 -2.330 -2.180 -2.022 310 HG2 GLN 39 2HG GLN 39 -3.436 -2.979 -4.670 311 HG3 GLN 39 1HG GLN 39 -2.139 -1.793 -4.594 312 HE21 GLN 39 1HE2 GLN 39 -2.355 -4.341 -2.224 313 HE22 GLN 39 2HE2 GLN 39 -1.000 -5.242 -2.790 314 H LYS 40 HN LYS 40 -5.075 -4.331 -0.300 315 HA LYS 40 HA LYS 40 -6.086 -2.092 1.260 316 HB2 LYS 40 2HB LYS 40 -6.804 -4.278 2.690 317 HB3 LYS 40 1HB LYS 40 -7.764 -3.620 1.373 318 HG2 LYS 40 2HG LYS 40 -6.587 -5.208 -0.164 319 HG3 LYS 40 1HG LYS 40 -5.848 -5.943 1.256 320 HD2 LYS 40 2HD LYS 40 -8.026 -6.577 2.090 321 HD3 LYS 40 1HD LYS 40 -8.818 -5.714 0.769 322 HE2 LYS 40 2HE LYS 40 -6.984 -8.097 0.487 323 HE3 LYS 40 1HE LYS 40 -8.740 -8.118 0.328 324 HZ1 LYS 40 3HZ LYS 40 -6.973 -6.475 -1.409 325 HZ2 LYS 40 1HZ LYS 40 -8.618 -6.794 -1.628 326 HZ3 LYS 40 2HZ LYS 40 -7.483 -8.033 -1.817 327 H VAL 41 HN VAL 41 -4.685 -1.165 2.532 328 HA VAL 41 HA VAL 41 -2.799 -2.807 4.060 329 HB VAL 41 HB VAL 41 -1.013 -1.123 3.658 330 HG11 VAL 41 1HG1 VAL 41 -2.089 -2.467 1.182 331 HG12 VAL 41 2HG1 VAL 41 -1.016 -3.189 2.386 332 HG13 VAL 41 3HG1 VAL 41 -0.448 -1.851 1.382 333 HG21 VAL 41 3HG2 VAL 41 -1.244 0.413 1.748 334 HG22 VAL 41 1HG2 VAL 41 -2.383 0.776 3.045 335 HG23 VAL 41 2HG2 VAL 41 -2.936 -0.059 1.595 336 H ARG 42 HN ARG 42 -1.728 -1.483 5.797 337 HA ARG 42 HA ARG 42 -3.689 0.139 7.167 338 HE ARG 42 HE ARG 42 -2.688 -3.744 10.597 339 HB2 ARG 42 2HB ARG 42 -0.837 -0.546 7.936 340 HB3 ARG 42 1HB ARG 42 -2.025 0.208 8.982 341 HG2 ARG 42 2HG ARG 42 -3.309 -1.800 9.086 342 HG3 ARG 42 1HG ARG 42 -2.330 -2.551 7.822 343 HD2 ARG 42 2HD ARG 42 -0.379 -2.497 9.258 344 HD3 ARG 42 1HD ARG 42 -1.292 -1.657 10.508 345 HH11 ARG 42 1HH1 ARG 42 0.641 -3.822 9.511 346 HH12 ARG 42 2HH1 ARG 42 0.923 -5.444 10.056 347 HH21 ARG 42 1HH2 ARG 42 -2.323 -5.873 11.353 348 HH22 ARG 42 2HH2 ARG 42 -0.752 -6.602 11.137 349 H VAL 43 HN VAL 43 -3.711 2.297 7.195 350 HA VAL 43 HA VAL 43 -1.332 3.744 6.220 351 HB VAL 43 HB VAL 43 -2.853 5.489 5.330 352 HG11 VAL 43 1HG1 VAL 43 -3.595 4.236 3.339 353 HG12 VAL 43 2HG1 VAL 43 -3.260 2.726 4.189 354 HG13 VAL 43 3HG1 VAL 43 -1.944 3.837 3.811 355 HG21 VAL 43 3HG2 VAL 43 -5.233 4.953 4.996 356 HG22 VAL 43 1HG2 VAL 43 -4.808 5.057 6.705 357 HG23 VAL 43 2HG2 VAL 43 -5.020 3.480 5.942 358 H VAL 44 HN VAL 44 -1.377 6.086 6.964 359 HA VAL 44 HA VAL 44 -1.991 6.009 9.829 360 HB VAL 44 HB VAL 44 -0.090 7.871 8.387 361 HG11 VAL 44 1HG1 VAL 44 0.794 8.318 10.626 362 HG12 VAL 44 2HG1 VAL 44 -0.439 7.272 11.325 363 HG13 VAL 44 3HG1 VAL 44 -0.906 8.761 10.504 364 HG21 VAL 44 3HG2 VAL 44 1.707 6.467 9.303 365 HG22 VAL 44 1HG2 VAL 44 0.687 5.588 8.165 366 HG23 VAL 44 2HG2 VAL 44 0.500 5.328 9.900 367 H LEU 45 HN LEU 45 -3.353 7.408 10.749 368 HA LEU 45 HA LEU 45 -4.660 9.429 9.110 369 HG LEU 45 HG LEU 45 -5.978 6.896 10.259 370 HB2 LEU 45 2HB LEU 45 -5.098 8.448 11.932 371 HB3 LEU 45 1HB LEU 45 -6.011 9.759 11.221 372 HD11 LEU 45 1HD1 LEU 45 -8.317 6.885 11.005 373 HD12 LEU 45 2HD1 LEU 45 -8.114 8.513 11.646 374 HD13 LEU 45 3HD1 LEU 45 -7.203 7.173 12.341 375 HD21 LEU 45 3HD2 LEU 45 -7.786 7.624 8.747 376 HD22 LEU 45 1HD2 LEU 45 -6.250 8.413 8.387 377 HD23 LEU 45 2HD2 LEU 45 -7.510 9.291 9.247 378 HA PRO 46 HA PRO 46 -2.254 12.878 10.569 379 HB2 PRO 46 2HB PRO 46 -4.845 14.251 11.060 380 HB3 PRO 46 1HB PRO 46 -3.460 14.772 10.093 381 HG2 PRO 46 2HG PRO 46 -5.683 13.891 8.919 382 HG3 PRO 46 1HG PRO 46 -4.084 13.491 8.265 383 HD2 PRO 46 2HD PRO 46 -5.966 11.793 9.849 384 HD3 PRO 46 1HD PRO 46 -4.909 11.347 8.492 385 H ASP 47 HN ASP 47 -4.980 11.703 12.383 386 HA ASP 47 HA ASP 47 -4.442 12.884 14.880 387 HB2 ASP 47 2HB ASP 47 -5.784 10.270 14.164 388 HB3 ASP 47 1HB ASP 47 -5.749 10.933 15.793 389 H GLY 48 HN GLY 48 -2.992 10.233 13.181 390 HA2 GLY 48 2HA GLY 48 -0.853 9.359 13.874 391 HA3 GLY 48 1HA GLY 48 -1.339 9.618 15.547 392 H THR 49 HN THR 49 -4.046 8.537 14.276 393 HA THR 49 HA THR 49 -3.746 5.897 15.311 394 HB THR 49 HB THR 49 -6.112 6.847 13.723 395 HG1 THR 49 1HG THR 49 -6.615 7.414 16.227 396 HG21 THR 49 3HG2 THR 49 -7.350 5.472 15.340 397 HG22 THR 49 1HG2 THR 49 -5.837 5.076 16.155 398 HG23 THR 49 2HG2 THR 49 -6.116 4.532 14.502 399 H ILE 50 HN ILE 50 -4.239 3.976 14.092 400 HA ILE 50 HA ILE 50 -3.195 4.114 11.355 401 HB ILE 50 HB ILE 50 -3.448 1.711 13.175 402 HG12 ILE 50 2HG1 ILE 50 -1.006 3.306 12.366 403 HG13 ILE 50 1HG1 ILE 50 -1.779 3.371 13.945 404 HG21 ILE 50 1HG2 ILE 50 -3.581 1.124 10.813 405 HG22 ILE 50 2HG2 ILE 50 -2.055 0.577 11.508 406 HG23 ILE 50 3HG2 ILE 50 -2.096 2.022 10.496 407 HD11 ILE 50 3HD1 ILE 50 -0.453 0.963 12.721 408 HD12 ILE 50 1HD1 ILE 50 -1.237 1.015 14.299 409 HD13 ILE 50 2HD1 ILE 50 0.207 1.984 13.997 410 H LYS 51 HN LYS 51 -4.676 4.102 9.811 411 HA LYS 51 HA LYS 51 -7.287 2.845 10.343 412 HB2 LYS 51 2HB LYS 51 -6.919 5.324 9.540 413 HB3 LYS 51 1HB LYS 51 -6.704 4.575 7.966 414 HG2 LYS 51 2HG LYS 51 -8.961 5.235 8.074 415 HG3 LYS 51 1HG LYS 51 -8.965 3.486 8.328 416 HD2 LYS 51 2HD LYS 51 -9.240 3.766 10.693 417 HD3 LYS 51 1HD LYS 51 -8.988 5.506 10.569 418 HE2 LYS 51 2HE LYS 51 -11.314 5.193 10.831 419 HE3 LYS 51 1HE LYS 51 -11.064 5.569 9.127 420 HZ1 LYS 51 3HZ LYS 51 -11.471 2.859 10.277 421 HZ2 LYS 51 1HZ LYS 51 -11.204 3.195 8.635 422 HZ3 LYS 51 2HZ LYS 51 -12.613 3.748 9.399 423 H ARG 52 HN ARG 52 -8.208 1.470 8.742 424 HA ARG 52 HA ARG 52 -6.211 0.303 6.908 425 HE ARG 52 HE ARG 52 -6.990 -1.964 11.627 426 HB2 ARG 52 2HB ARG 52 -8.696 -1.082 7.890 427 HB3 ARG 52 1HB ARG 52 -7.276 -1.800 7.138 428 HG2 ARG 52 2HG ARG 52 -5.956 -1.245 9.113 429 HG3 ARG 52 1HG ARG 52 -7.386 -0.535 9.868 430 HD2 ARG 52 2HD ARG 52 -8.459 -2.833 9.386 431 HD3 ARG 52 1HD ARG 52 -6.797 -3.390 9.226 432 HH11 ARG 52 1HH1 ARG 52 -8.168 -4.934 10.203 433 HH12 ARG 52 2HH1 ARG 52 -8.412 -5.737 11.721 434 HH21 ARG 52 1HH2 ARG 52 -7.345 -2.997 13.655 435 HH22 ARG 52 2HH2 ARG 52 -7.936 -4.638 13.685 436 H MET 53 HN MET 53 -6.559 0.799 4.851 437 HA MET 53 HA MET 53 -9.342 1.252 3.994 438 HB2 MET 53 2HB MET 53 -7.033 3.116 3.471 439 HB3 MET 53 1HB MET 53 -8.555 3.194 2.597 440 HG2 MET 53 2HG MET 53 -9.619 3.404 4.939 441 HG3 MET 53 1HG MET 53 -7.990 3.813 5.467 442 HE1 MET 53 3HE MET 53 -6.896 5.315 2.864 443 HE2 MET 53 1HE MET 53 -6.625 5.977 4.476 444 HE3 MET 53 2HE MET 53 -7.287 7.002 3.204 445 H ARG 54 HN ARG 54 -9.645 1.326 1.674 446 HA ARG 54 HA ARG 54 -8.017 -0.699 0.346 447 HE ARG 54 HE ARG 54 -12.122 0.600 1.284 448 HB2 ARG 54 2HB ARG 54 -10.656 0.595 -0.362 449 HB3 ARG 54 1HB ARG 54 -9.862 -0.628 -1.346 450 HG2 ARG 54 2HG ARG 54 -10.307 -2.310 0.126 451 HG3 ARG 54 1HG ARG 54 -10.377 -1.228 1.517 452 HD2 ARG 54 2HD ARG 54 -12.441 -1.220 -0.675 453 HD3 ARG 54 1HD ARG 54 -12.583 -2.217 0.776 454 HH11 ARG 54 1HH1 ARG 54 -14.531 -1.916 0.840 455 HH12 ARG 54 2HH1 ARG 54 -15.796 -1.030 1.631 456 HH21 ARG 54 1HH2 ARG 54 -13.756 1.740 2.378 457 HH22 ARG 54 2HH2 ARG 54 -15.354 1.054 2.512 458 H VAL 55 HN VAL 55 -6.291 0.041 -0.686 459 HA VAL 55 HA VAL 55 -6.456 2.649 -2.060 460 HB VAL 55 HB VAL 55 -3.942 1.165 -1.265 461 HG11 VAL 55 1HG1 VAL 55 -4.387 4.042 -2.051 462 HG12 VAL 55 2HG1 VAL 55 -3.659 2.795 -3.063 463 HG13 VAL 55 3HG1 VAL 55 -2.845 3.322 -1.591 464 HG21 VAL 55 3HG2 VAL 55 -3.767 2.712 0.629 465 HG22 VAL 55 1HG2 VAL 55 -5.210 1.702 0.744 466 HG23 VAL 55 2HG2 VAL 55 -5.349 3.380 0.222 467 H CYS 56 HN CYS 56 -5.558 2.796 -4.201 468 HA CYS 56 HA CYS 56 -5.488 0.243 -5.607 469 HG CYS 56 HG CYS 56 -5.627 4.426 -5.802 470 HB2 CYS 56 2HB CYS 56 -5.501 1.563 -7.660 471 HB3 CYS 56 1HB CYS 56 -6.805 2.073 -6.596 472 H THR 57 HN THR 57 -3.727 -0.356 -6.949 473 HA THR 57 HA THR 57 -1.198 -0.097 -5.793 474 HB THR 57 HB THR 57 -1.548 -0.723 -8.715 475 HG1 THR 57 1HG THR 57 -2.144 -2.890 -7.935 476 HG21 THR 57 3HG2 THR 57 0.114 -1.977 -6.523 477 HG22 THR 57 1HG2 THR 57 0.704 -0.821 -7.717 478 HG23 THR 57 2HG2 THR 57 0.150 -2.414 -8.229 479 H SER 58 HN SER 58 -2.814 1.816 -8.239 480 HA SER 58 HA SER 58 -0.632 3.232 -9.263 481 HG SER 58 HG SER 58 -1.269 5.263 -10.154 482 HB2 SER 58 2HB SER 58 -2.891 3.299 -10.246 483 HB3 SER 58 1HB SER 58 -3.481 4.182 -8.842 484 H CYS 59 HN CYS 59 -2.789 4.033 -6.537 485 HA CYS 59 HA CYS 59 -1.412 6.374 -5.785 486 HG CYS 59 HG CYS 59 -3.760 7.265 -6.153 487 HB2 CYS 59 2HB CYS 59 -3.245 4.534 -4.251 488 HB3 CYS 59 1HB CYS 59 -2.630 6.046 -3.604 489 H LEU 60 HN LEU 60 -1.035 2.991 -4.918 490 HA LEU 60 HA LEU 60 0.834 3.391 -2.830 491 HG LEU 60 HG LEU 60 -1.396 1.265 -2.717 492 HB2 LEU 60 2HB LEU 60 0.063 1.081 -4.556 493 HB3 LEU 60 1HB LEU 60 1.478 0.947 -3.536 494 HD11 LEU 60 1HD1 LEU 60 -0.570 -0.990 -3.099 495 HD12 LEU 60 2HD1 LEU 60 -0.912 -0.718 -1.390 496 HD13 LEU 60 3HD1 LEU 60 0.751 -0.703 -1.970 497 HD21 LEU 60 3HD2 LEU 60 -0.158 2.879 -1.390 498 HD22 LEU 60 1HD2 LEU 60 1.030 1.642 -0.966 499 HD23 LEU 60 2HD2 LEU 60 -0.634 1.499 -0.396 500 H LYS 61 HN LYS 61 1.195 2.741 -6.281 501 HA LYS 61 HA LYS 61 4.020 2.614 -6.287 502 HB2 LYS 61 2HB LYS 61 2.518 1.703 -8.060 503 HB3 LYS 61 1HB LYS 61 2.170 3.351 -8.563 504 HG2 LYS 61 2HG LYS 61 4.501 3.679 -9.162 505 HG3 LYS 61 1HG LYS 61 4.884 2.046 -8.608 506 HD2 LYS 61 2HD LYS 61 3.274 1.161 -10.279 507 HD3 LYS 61 1HD LYS 61 3.051 2.803 -10.880 508 HE2 LYS 61 2HE LYS 61 5.643 1.267 -10.843 509 HE3 LYS 61 1HE LYS 61 4.629 1.552 -12.258 510 HZ1 LYS 61 3HZ LYS 61 4.966 3.993 -11.775 511 HZ2 LYS 61 1HZ LYS 61 6.323 3.144 -12.347 512 HZ3 LYS 61 2HZ LYS 61 6.191 3.522 -10.699 513 H SER 62 HN SER 62 1.724 5.242 -6.854 514 HA SER 62 HA SER 62 3.742 7.168 -7.492 515 HG SER 62 HG SER 62 2.760 9.293 -7.899 516 HB2 SER 62 2HB SER 62 1.426 7.364 -8.325 517 HB3 SER 62 1HB SER 62 0.855 7.570 -6.671 518 H GLY 63 HN GLY 63 2.496 5.867 -4.578 519 HA2 GLY 63 2HA GLY 63 3.022 6.304 -2.378 520 HA3 GLY 63 1HA GLY 63 4.261 7.406 -2.963 521 H LYS 64 HN LYS 64 0.743 7.412 -3.357 522 HA LYS 64 HA LYS 64 0.733 10.248 -2.631 523 HB2 LYS 64 2HB LYS 64 -0.503 8.826 -4.652 524 HB3 LYS 64 1HB LYS 64 -1.802 9.039 -3.489 525 HG2 LYS 64 2HG LYS 64 -0.128 11.287 -4.587 526 HG3 LYS 64 1HG LYS 64 -1.693 10.799 -5.232 527 HD2 LYS 64 2HD LYS 64 -2.744 11.293 -3.090 528 HD3 LYS 64 1HD LYS 64 -1.177 11.745 -2.416 529 HE2 LYS 64 2HE LYS 64 -2.550 13.105 -4.726 530 HE3 LYS 64 1HE LYS 64 -2.513 13.701 -3.067 531 HZ1 LYS 64 3HZ LYS 64 -0.220 13.391 -4.922 532 HZ2 LYS 64 1HZ LYS 64 -0.047 13.739 -3.268 533 HZ3 LYS 64 2HZ LYS 64 -0.850 14.829 -4.288 534 H VAL 65 HN VAL 65 0.568 7.528 -0.948 535 HA VAL 65 HA VAL 65 -1.767 8.294 0.660 536 HB VAL 65 HB VAL 65 -1.692 6.027 1.608 537 HG11 VAL 65 1HG1 VAL 65 -1.740 6.099 -1.403 538 HG12 VAL 65 2HG1 VAL 65 -3.095 6.439 -0.326 539 HG13 VAL 65 3HG1 VAL 65 -2.414 4.813 -0.402 540 HG21 VAL 65 3HG2 VAL 65 -0.250 4.315 0.591 541 HG22 VAL 65 1HG2 VAL 65 0.689 5.568 1.405 542 HG23 VAL 65 2HG2 VAL 65 0.554 5.569 -0.356 543 H LYS 66 HN LYS 66 -1.631 8.470 2.894 544 HA LYS 66 HA LYS 66 0.914 9.167 4.017 545 HB2 LYS 66 2HB LYS 66 -1.102 10.285 4.782 546 HB3 LYS 66 1HB LYS 66 -1.811 8.754 5.264 547 HG2 LYS 66 2HG LYS 66 -1.083 9.863 7.220 548 HG3 LYS 66 1HG LYS 66 0.017 8.517 6.935 549 HD2 LYS 66 2HD LYS 66 1.656 10.056 5.970 550 HD3 LYS 66 1HD LYS 66 0.545 11.404 6.234 551 HE2 LYS 66 2HE LYS 66 0.595 10.950 8.644 552 HE3 LYS 66 1HE LYS 66 1.746 9.643 8.369 553 HZ1 LYS 66 3HZ LYS 66 2.191 12.530 7.804 554 HZ2 LYS 66 1HZ LYS 66 3.298 11.288 7.464 555 HZ3 LYS 66 2HZ LYS 66 2.883 11.632 9.066 556 H LYS 67 HN LYS 67 2.313 7.502 4.103 557 HA LYS 67 HA LYS 67 1.371 4.945 5.219 558 HB2 LYS 67 2HB LYS 67 3.322 3.960 3.972 559 HB3 LYS 67 1HB LYS 67 2.057 4.635 2.952 560 HG2 LYS 67 2HG LYS 67 3.423 6.697 2.707 561 HG3 LYS 67 1HG LYS 67 4.705 5.906 3.622 562 HD2 LYS 67 2HD LYS 67 4.957 4.221 1.934 563 HD3 LYS 67 1HD LYS 67 3.539 4.815 1.065 564 HE2 LYS 67 2HE LYS 67 4.696 6.942 0.660 565 HE3 LYS 67 1HE LYS 67 6.117 6.324 1.501 566 HZ1 LYS 67 3HZ LYS 67 6.458 4.707 -0.187 567 HZ2 LYS 67 1HZ LYS 67 6.209 6.191 -0.977 568 HZ3 LYS 67 2HZ LYS 67 4.963 5.035 -0.912 569 H TYR 68 HN TYR 68 2.595 3.894 6.761 570 HA TYR 68 HA TYR 68 4.538 5.561 8.172 571 HD1 TYR 68 2HD TYR 68 1.209 3.059 8.264 572 HD2 TYR 68 1HD TYR 68 4.921 1.618 9.759 573 HE1 TYR 68 2HE TYR 68 0.412 0.750 8.006 574 HE2 TYR 68 1HE TYR 68 4.134 -0.697 9.507 575 HH TYR 68 HH TYR 68 2.131 -1.950 9.328 576 HB2 TYR 68 2HB TYR 68 4.338 3.923 9.992 577 HB3 TYR 68 1HB TYR 68 2.763 4.530 9.502 578 H VAL 69 HN VAL 69 5.122 4.240 5.616 579 HA VAL 69 HA VAL 69 6.802 3.165 4.550 580 HB VAL 69 HB VAL 69 8.122 3.019 7.272 581 HG11 VAL 69 1HG1 VAL 69 10.197 2.627 6.021 582 HG12 VAL 69 2HG1 VAL 69 9.274 2.577 4.517 583 HG13 VAL 69 3HG1 VAL 69 9.017 1.340 5.749 584 HG21 VAL 69 3HG2 VAL 69 9.456 4.921 6.478 585 HG22 VAL 69 1HG2 VAL 69 7.738 5.313 6.543 586 HG23 VAL 69 2HG2 VAL 69 8.502 4.961 4.992 587 H GLY 70 HN GLY 70 5.927 1.339 3.818 588 HA2 GLY 70 2HA GLY 70 5.373 -0.858 5.652 589 HA3 GLY 70 1HA GLY 70 4.879 -0.760 3.971 590 H GLN 71 HN GLN 71 5.743 -3.103 4.414 591 HA GLN 71 HA GLN 71 8.622 -3.331 4.330 592 HB2 GLN 71 2HB GLN 71 7.125 -4.973 5.515 593 HB3 GLN 71 1HB GLN 71 6.554 -5.498 3.936 594 HG2 GLN 71 2HG GLN 71 8.861 -6.125 3.346 595 HG3 GLN 71 1HG GLN 71 9.371 -5.677 4.974 596 HE21 GLN 71 1HE2 GLN 71 10.040 -7.692 5.533 597 HE22 GLN 71 2HE2 GLN 71 8.954 -9.014 5.786 598 H VAL 72 HN VAL 72 5.886 -3.765 2.153 599 HA VAL 72 HA VAL 72 7.529 -4.630 -0.033 600 HB VAL 72 HB VAL 72 5.402 -4.386 -1.378 601 HG11 VAL 72 1HG1 VAL 72 5.305 -6.099 1.105 602 HG12 VAL 72 2HG1 VAL 72 6.105 -6.511 -0.413 603 HG13 VAL 72 3HG1 VAL 72 4.348 -6.349 -0.357 604 HG21 VAL 72 3HG2 VAL 72 4.251 -3.756 1.342 605 HG22 VAL 72 1HG2 VAL 72 3.307 -4.143 -0.099 606 HG23 VAL 72 2HG2 VAL 72 4.294 -2.680 -0.057 607 H SER 73 HN SER 73 8.825 -2.511 0.500 608 HA SER 73 HA SER 73 7.874 -0.181 -0.927 609 HG SER 73 HG SER 73 11.010 1.161 -0.684 610 HB2 SER 73 2HB SER 73 9.392 -0.077 1.098 611 HB3 SER 73 1HB SER 73 10.675 -0.750 0.097 612 H GLU 74 HN GLU 74 9.410 -3.107 -1.628 613 HA GLU 74 HA GLU 74 10.187 -2.158 -4.303 614 HB2 GLU 74 2HB GLU 74 11.350 -4.467 -2.720 615 HB3 GLU 74 1HB GLU 74 11.796 -4.031 -4.366 616 HG2 GLU 74 2HG GLU 74 12.676 -1.921 -3.619 617 HG3 GLU 74 1HG GLU 74 12.139 -2.242 -1.971 618 H VAL 75 HN VAL 75 9.460 -3.344 -6.048 619 HA VAL 75 HA VAL 75 7.135 -4.954 -5.517 620 HB VAL 75 HB VAL 75 6.937 -5.081 -8.016 621 HG11 VAL 75 1HG1 VAL 75 5.764 -3.384 -6.734 622 HG12 VAL 75 2HG1 VAL 75 6.301 -2.730 -8.282 623 HG13 VAL 75 3HG1 VAL 75 7.178 -2.331 -6.804 624 HG21 VAL 75 3HG2 VAL 75 8.328 -3.596 -9.373 625 HG22 VAL 75 1HG2 VAL 75 9.298 -4.841 -8.592 626 HG23 VAL 75 2HG2 VAL 75 9.297 -3.198 -7.954 627 H GLY 76 HN GLY 76 7.195 -7.043 -5.158 628 HA2 GLY 76 2HA GLY 76 9.480 -8.632 -6.035 629 HA3 GLY 76 1HA GLY 76 8.182 -9.165 -4.969 630 H SER 77 HN SER 77 8.806 -8.197 -8.313 631 HA SER 77 HA SER 77 6.993 -10.303 -9.227 632 HG SER 77 HG SER 77 5.503 -8.833 -8.273 633 HB2 SER 77 2HB SER 77 6.875 -7.428 -10.187 634 HB3 SER 77 1HB SER 77 5.934 -8.770 -10.836 Start of MODEL 13 1 HA GLN 1 HA GLN 1 -21.377 -0.808 -21.629 2 H1 GLN 1 1HT GLN 1 -23.913 -0.075 -20.296 3 H2 GLN 1 2HT GLN 1 -23.731 -1.313 -21.439 4 H3 GLN 1 3HT GLN 1 -23.463 0.300 -21.889 5 HB2 GLN 1 2HB GLN 1 -21.615 1.576 -20.906 6 HB3 GLN 1 1HB GLN 1 -21.899 1.010 -19.265 7 HG2 GLN 1 2HG GLN 1 -19.676 0.003 -19.223 8 HG3 GLN 1 1HG GLN 1 -19.391 0.572 -20.870 9 HE21 GLN 1 1HE2 GLN 1 -17.650 1.847 -20.308 10 HE22 GLN 1 2HE2 GLN 1 -17.815 3.302 -19.378 11 H GLY 2 HN GLY 2 -20.209 -2.383 -20.690 12 HA2 GLY 2 2HA GLY 2 -21.444 -3.711 -18.361 13 HA3 GLY 2 1HA GLY 2 -20.454 -4.510 -19.576 14 H HIS 3 HN HIS 3 -18.708 -5.241 -18.589 15 HA HIS 3 HA HIS 3 -16.976 -5.445 -17.135 16 HD1 HIS 3 1HD HIS 3 -15.346 -2.464 -20.232 17 HD2 HIS 3 2HD HIS 3 -15.273 -6.275 -18.560 18 HE1 HIS 3 1HE HIS 3 -14.213 -3.937 -21.934 19 HE2 HIS 3 2HE HIS 3 -13.973 -6.171 -20.791 20 HB2 HIS 3 2HB HIS 3 -16.653 -2.609 -18.096 21 HB3 HIS 3 1HB HIS 3 -15.471 -3.380 -17.039 22 H MET 4 HN MET 4 -18.785 -5.587 -15.494 23 HA MET 4 HA MET 4 -18.942 -3.375 -13.636 24 HB2 MET 4 2HB MET 4 -20.921 -4.782 -14.101 25 HB3 MET 4 1HB MET 4 -20.074 -6.178 -13.441 26 HG2 MET 4 2HG MET 4 -19.870 -4.823 -11.292 27 HG3 MET 4 1HG MET 4 -21.058 -3.735 -12.010 28 HE1 MET 4 3HE MET 4 -21.846 -8.179 -11.075 29 HE2 MET 4 1HE MET 4 -20.357 -7.338 -10.656 30 HE3 MET 4 2HE MET 4 -20.753 -7.641 -12.350 31 H ILE 5 HN ILE 5 -17.137 -3.046 -12.472 32 HA ILE 5 HA ILE 5 -15.572 -5.268 -11.475 33 HB ILE 5 HB ILE 5 -15.335 -2.313 -10.846 34 HG12 ILE 5 2HG1 ILE 5 -13.790 -4.029 -12.808 35 HG13 ILE 5 1HG1 ILE 5 -15.002 -2.825 -13.237 36 HG21 ILE 5 1HG2 ILE 5 -13.434 -4.608 -10.353 37 HG22 ILE 5 2HG2 ILE 5 -14.324 -3.698 -9.129 38 HG23 ILE 5 3HG2 ILE 5 -13.069 -2.903 -10.080 39 HD11 ILE 5 3HD1 ILE 5 -12.387 -2.277 -11.857 40 HD12 ILE 5 1HD1 ILE 5 -13.598 -1.071 -12.299 41 HD13 ILE 5 2HD1 ILE 5 -12.753 -1.974 -13.556 42 H MET 6 HN MET 6 -16.625 -6.437 -9.961 43 HA MET 6 HA MET 6 -18.433 -5.140 -8.122 44 HB2 MET 6 2HB MET 6 -18.911 -7.373 -9.143 45 HB3 MET 6 1HB MET 6 -17.597 -8.039 -8.188 46 HG2 MET 6 2HG MET 6 -19.509 -8.570 -6.987 47 HG3 MET 6 1HG MET 6 -18.852 -7.165 -6.153 48 HE1 MET 6 3HE MET 6 -21.334 -4.318 -7.175 49 HE2 MET 6 1HE MET 6 -19.748 -4.672 -7.857 50 HE3 MET 6 2HE MET 6 -19.999 -4.775 -6.115 51 H ALA 7 HN ALA 7 -16.810 -3.797 -7.186 52 HA ALA 7 HA ALA 7 -15.960 -4.745 -4.653 53 HB1 ALA 7 1HB ALA 7 -13.767 -4.119 -6.644 54 HB2 ALA 7 2HB ALA 7 -14.119 -5.707 -5.963 55 HB3 ALA 7 3HB ALA 7 -13.543 -4.409 -4.918 56 H LYS 8 HN LYS 8 -14.238 -2.831 -3.872 57 HA LYS 8 HA LYS 8 -15.792 -0.403 -4.226 58 HB2 LYS 8 2HB LYS 8 -13.824 -1.376 -2.256 59 HB3 LYS 8 1HB LYS 8 -13.744 0.343 -2.609 60 HG2 LYS 8 2HG LYS 8 -16.351 0.183 -2.224 61 HG3 LYS 8 1HG LYS 8 -15.873 -1.222 -1.267 62 HD2 LYS 8 2HD LYS 8 -14.349 0.151 0.031 63 HD3 LYS 8 1HD LYS 8 -14.739 1.557 -0.958 64 HE2 LYS 8 2HE LYS 8 -17.143 1.221 -0.209 65 HE3 LYS 8 1HE LYS 8 -16.500 0.096 0.990 66 HZ1 LYS 8 3HZ LYS 8 -14.959 2.024 1.612 67 HZ2 LYS 8 1HZ LYS 8 -16.583 2.125 2.095 68 HZ3 LYS 8 2HZ LYS 8 -16.041 3.006 0.753 69 H ARG 9 HN ARG 9 -14.683 1.659 -4.568 70 HA ARG 9 HA ARG 9 -12.534 1.465 -6.531 71 HE ARG 9 HE ARG 9 -17.015 3.130 -8.513 72 HB2 ARG 9 2HB ARG 9 -13.885 3.954 -5.460 73 HB3 ARG 9 1HB ARG 9 -12.916 3.816 -6.919 74 HG2 ARG 9 2HG ARG 9 -14.606 2.485 -7.981 75 HG3 ARG 9 1HG ARG 9 -15.540 2.420 -6.493 76 HD2 ARG 9 2HD ARG 9 -15.776 4.886 -6.597 77 HD3 ARG 9 1HD ARG 9 -14.960 4.863 -8.157 78 HH11 ARG 9 1HH1 ARG 9 -16.853 6.424 -7.317 79 HH12 ARG 9 2HH1 ARG 9 -18.434 6.838 -7.904 80 HH21 ARG 9 1HH2 ARG 9 -19.091 3.680 -9.279 81 HH22 ARG 9 2HH2 ARG 9 -19.720 5.283 -8.995 82 H CYS 10 HN CYS 10 -10.724 3.174 -6.205 83 HA CYS 10 HA CYS 10 -9.333 2.635 -3.819 84 HG CYS 10 HG CYS 10 -6.167 4.929 -4.987 85 HB2 CYS 10 2HB CYS 10 -8.196 3.395 -5.869 86 HB3 CYS 10 1HB CYS 10 -8.973 4.968 -5.719 87 H GLU 11 HN GLU 11 -9.797 3.306 -1.831 88 HA GLU 11 HA GLU 11 -11.790 5.300 -1.389 89 HB2 GLU 11 2HB GLU 11 -10.010 3.897 0.615 90 HB3 GLU 11 1HB GLU 11 -11.465 4.812 0.993 91 HG2 GLU 11 2HG GLU 11 -12.737 3.191 -0.434 92 HG3 GLU 11 1HG GLU 11 -11.263 2.239 -0.545 93 H VAL 12 HN VAL 12 -8.592 5.631 -2.090 94 HA VAL 12 HA VAL 12 -8.162 8.032 -0.504 95 HB VAL 12 HB VAL 12 -6.442 6.713 -2.611 96 HG11 VAL 12 1HG1 VAL 12 -4.676 8.260 -1.887 97 HG12 VAL 12 2HG1 VAL 12 -5.832 9.079 -0.834 98 HG13 VAL 12 3HG1 VAL 12 -6.049 9.116 -2.586 99 HG21 VAL 12 3HG2 VAL 12 -6.577 5.414 -0.574 100 HG22 VAL 12 1HG2 VAL 12 -6.191 6.836 0.391 101 HG23 VAL 12 2HG2 VAL 12 -4.984 6.164 -0.702 102 H CYS 13 HN CYS 13 -8.006 7.253 -3.975 103 HA CYS 13 HA CYS 13 -8.500 10.060 -4.599 104 HG CYS 13 HG CYS 13 -9.047 10.257 -7.546 105 HB2 CYS 13 2HB CYS 13 -6.597 8.939 -5.665 106 HB3 CYS 13 1HB CYS 13 -7.685 7.751 -6.374 107 H GLY 14 HN GLY 14 -9.740 6.868 -5.591 108 HA2 GLY 14 2HA GLY 14 -12.233 6.720 -5.636 109 HA3 GLY 14 1HA GLY 14 -12.178 8.233 -6.535 110 H LYS 15 HN LYS 15 -9.569 6.467 -7.496 111 HA LYS 15 HA LYS 15 -10.849 5.717 -9.977 112 HB2 LYS 15 2HB LYS 15 -7.968 5.525 -9.074 113 HB3 LYS 15 1HB LYS 15 -8.536 5.119 -10.687 114 HG2 LYS 15 2HG LYS 15 -9.293 7.428 -10.992 115 HG3 LYS 15 1HG LYS 15 -8.679 7.830 -9.387 116 HD2 LYS 15 2HD LYS 15 -6.420 7.252 -10.092 117 HD3 LYS 15 1HD LYS 15 -7.022 6.784 -11.684 118 HE2 LYS 15 2HE LYS 15 -7.196 9.550 -10.488 119 HE3 LYS 15 1HE LYS 15 -6.014 9.027 -11.685 120 HZ1 LYS 15 3HZ LYS 15 -8.954 9.251 -12.045 121 HZ2 LYS 15 1HZ LYS 15 -7.926 8.496 -13.167 122 HZ3 LYS 15 2HZ LYS 15 -7.741 10.145 -12.827 123 H ALA 16 HN ALA 16 -10.152 3.539 -10.945 124 HA ALA 16 HA ALA 16 -10.726 1.491 -8.919 125 HB1 ALA 16 1HB ALA 16 -12.349 1.701 -10.755 126 HB2 ALA 16 2HB ALA 16 -11.562 0.123 -10.744 127 HB3 ALA 16 3HB ALA 16 -11.068 1.346 -11.913 128 HA PRO 17 HA PRO 17 -6.687 -0.196 -9.666 129 HB2 PRO 17 2HB PRO 17 -6.907 -2.468 -8.266 130 HB3 PRO 17 1HB PRO 17 -6.907 -0.891 -7.468 131 HG2 PRO 17 2HG PRO 17 -9.199 -2.701 -8.091 132 HG3 PRO 17 1HG PRO 17 -8.916 -1.701 -6.655 133 HD2 PRO 17 2HD PRO 17 -10.566 -1.020 -8.785 134 HD3 PRO 17 1HD PRO 17 -9.896 0.118 -7.604 135 H ARG 18 HN ARG 18 -7.351 -0.419 -12.006 136 HA ARG 18 HA ARG 18 -8.258 -3.011 -12.882 137 HE ARG 18 HE ARG 18 -5.926 -3.206 -16.073 138 HB2 ARG 18 2HB ARG 18 -8.650 -0.787 -14.084 139 HB3 ARG 18 1HB ARG 18 -6.974 -0.893 -14.604 140 HG2 ARG 18 2HG ARG 18 -8.073 -3.368 -15.243 141 HG3 ARG 18 1HG ARG 18 -9.317 -2.191 -15.667 142 HD2 ARG 18 2HD ARG 18 -8.005 -2.401 -17.601 143 HD3 ARG 18 1HD ARG 18 -7.465 -0.901 -16.846 144 HH11 ARG 18 1HH1 ARG 18 -6.260 -0.640 -18.446 145 HH12 ARG 18 2HH1 ARG 18 -4.617 -0.766 -18.993 146 HH21 ARG 18 1HH2 ARG 18 -3.764 -3.355 -16.789 147 HH22 ARG 18 2HH2 ARG 18 -3.210 -2.304 -18.060 148 H SER 19 HN SER 19 -5.229 -1.309 -12.561 149 HA SER 19 HA SER 19 -3.735 -3.522 -13.726 150 HG SER 19 HG SER 19 -2.745 -1.503 -15.376 151 HB2 SER 19 2HB SER 19 -2.770 -0.852 -12.669 152 HB3 SER 19 1HB SER 19 -1.797 -2.033 -13.545 153 H GLY 20 HN GLY 20 -2.033 -4.570 -12.558 154 HA2 GLY 20 2HA GLY 20 -1.021 -4.307 -10.120 155 HA3 GLY 20 1HA GLY 20 -2.645 -4.848 -9.717 156 H ASN 21 HN ASN 21 0.215 -6.025 -9.616 157 HA ASN 21 HA ASN 21 0.156 -8.294 -11.340 158 HB2 ASN 21 2HB ASN 21 2.268 -7.408 -10.437 159 HB3 ASN 21 1HB ASN 21 1.759 -7.843 -8.808 160 HD21 ASN 21 1HD2 ASN 21 2.924 -9.007 -11.856 161 HD22 ASN 21 2HD2 ASN 21 3.265 -10.621 -11.342 162 H THR 22 HN THR 22 -1.212 -9.904 -11.174 163 HA THR 22 HA THR 22 -2.272 -10.601 -8.512 164 HB THR 22 HB THR 22 -3.447 -11.510 -11.135 165 HG1 THR 22 1HG THR 22 -3.124 -9.026 -10.629 166 HG21 THR 22 3HG2 THR 22 -5.520 -11.590 -9.850 167 HG22 THR 22 1HG2 THR 22 -4.695 -10.937 -8.434 168 HG23 THR 22 2HG2 THR 22 -4.271 -12.540 -9.041 169 H VAL 23 HN VAL 23 0.123 -11.502 -10.475 170 HA VAL 23 HA VAL 23 -0.285 -14.366 -10.460 171 HB VAL 23 HB VAL 23 2.240 -12.866 -11.180 172 HG11 VAL 23 1HG1 VAL 23 1.304 -15.653 -11.870 173 HG12 VAL 23 2HG1 VAL 23 2.584 -15.237 -10.730 174 HG13 VAL 23 3HG1 VAL 23 2.787 -14.892 -12.447 175 HG21 VAL 23 3HG2 VAL 23 1.509 -13.070 -13.514 176 HG22 VAL 23 1HG2 VAL 23 0.405 -12.077 -12.562 177 HG23 VAL 23 2HG2 VAL 23 -0.027 -13.738 -12.967 178 H SER 24 HN SER 24 -0.525 -14.657 -8.209 179 HA SER 24 HA SER 24 1.997 -15.166 -6.883 180 HG SER 24 HG SER 24 1.956 -12.749 -7.149 181 HB2 SER 24 2HB SER 24 -0.102 -13.376 -5.620 182 HB3 SER 24 1HB SER 24 1.341 -13.989 -4.809 183 H HIS 25 HN HIS 25 1.562 -16.349 -4.764 184 HA HIS 25 HA HIS 25 -0.884 -17.967 -5.031 185 HD1 HIS 25 1HD HIS 25 0.793 -20.176 -1.892 186 HD2 HIS 25 2HD HIS 25 -0.880 -21.119 -5.575 187 HE1 HIS 25 1HE HIS 25 -0.550 -22.260 -1.505 188 HE2 HIS 25 2HE HIS 25 -1.371 -22.929 -3.796 189 HB2 HIS 25 2HB HIS 25 1.224 -19.223 -5.449 190 HB3 HIS 25 1HB HIS 25 1.756 -18.818 -3.821 191 H SER 26 HN SER 26 -2.303 -17.223 -3.590 192 HA SER 26 HA SER 26 -1.592 -15.989 -1.145 193 HG SER 26 HG SER 26 -4.717 -17.978 -1.961 194 HB2 SER 26 2HB SER 26 -4.097 -16.359 -0.648 195 HB3 SER 26 1HB SER 26 -3.677 -15.357 -2.037 196 H ASP 27 HN ASP 27 -0.581 -17.028 0.414 197 HA ASP 27 HA ASP 27 -1.840 -19.394 1.565 198 HB2 ASP 27 2HB ASP 27 -0.056 -20.278 0.097 199 HB3 ASP 27 1HB ASP 27 1.121 -19.255 0.915 200 H LYS 28 HN LYS 28 -1.615 -19.512 3.782 201 HA LYS 28 HA LYS 28 -1.099 -18.919 5.921 202 HB2 LYS 28 2HB LYS 28 1.252 -18.797 5.286 203 HB3 LYS 28 1HB LYS 28 1.022 -17.179 4.642 204 HG2 LYS 28 2HG LYS 28 0.501 -16.366 6.897 205 HG3 LYS 28 1HG LYS 28 0.768 -17.990 7.527 206 HD2 LYS 28 2HD LYS 28 2.834 -16.315 6.098 207 HD3 LYS 28 1HD LYS 28 2.724 -16.523 7.847 208 HE2 LYS 28 2HE LYS 28 2.979 -18.980 7.491 209 HE3 LYS 28 1HE LYS 28 3.292 -18.649 5.787 210 HZ1 LYS 28 3HZ LYS 28 5.310 -18.913 7.185 211 HZ2 LYS 28 1HZ LYS 28 4.880 -17.499 8.012 212 HZ3 LYS 28 2HZ LYS 28 5.241 -17.439 6.355 213 H LYS 29 HN LYS 29 -1.821 -16.574 3.516 214 HA LYS 29 HA LYS 29 -2.414 -14.474 5.436 215 HB2 LYS 29 2HB LYS 29 -1.311 -14.197 3.109 216 HB3 LYS 29 1HB LYS 29 -2.945 -14.336 2.479 217 HG2 LYS 29 2HG LYS 29 -3.640 -12.379 3.661 218 HG3 LYS 29 1HG LYS 29 -2.106 -12.298 4.530 219 HD2 LYS 29 2HD LYS 29 -2.469 -11.975 1.550 220 HD3 LYS 29 1HD LYS 29 -2.197 -10.669 2.704 221 HE2 LYS 29 2HE LYS 29 -0.293 -12.933 2.109 222 HE3 LYS 29 1HE LYS 29 -0.143 -11.278 1.525 223 HZ1 LYS 29 3HZ LYS 29 0.051 -10.538 3.832 224 HZ2 LYS 29 1HZ LYS 29 1.279 -11.634 3.423 225 HZ3 LYS 29 2HZ LYS 29 -0.034 -12.145 4.367 226 H SER 30 HN SER 30 -3.945 -16.981 5.383 227 HA SER 30 HA SER 30 -6.015 -17.512 6.104 228 HG SER 30 HG SER 30 -5.359 -15.944 7.610 229 HB2 SER 30 2HB SER 30 -6.664 -14.604 5.627 230 HB3 SER 30 1HB SER 30 -7.718 -15.757 6.444 231 H GLU 31 HN GLU 31 -6.275 -15.325 3.293 232 HA GLU 31 HA GLU 31 -7.459 -15.462 1.350 233 HB2 GLU 31 2HB GLU 31 -7.692 -18.408 2.003 234 HB3 GLU 31 1HB GLU 31 -8.109 -17.668 0.467 235 HG2 GLU 31 2HG GLU 31 -5.765 -17.015 0.161 236 HG3 GLU 31 1HG GLU 31 -5.358 -17.810 1.684 237 H ARG 32 HN ARG 32 -8.755 -15.022 3.976 238 HA ARG 32 HA ARG 32 -11.388 -16.216 3.597 239 HE ARG 32 HE ARG 32 -8.987 -15.417 7.633 240 HB2 ARG 32 2HB ARG 32 -10.116 -14.722 5.876 241 HB3 ARG 32 1HB ARG 32 -11.843 -15.049 5.832 242 HG2 ARG 32 2HG ARG 32 -11.409 -17.437 5.750 243 HG3 ARG 32 1HG ARG 32 -9.672 -17.132 5.729 244 HD2 ARG 32 2HD ARG 32 -11.465 -16.180 7.946 245 HD3 ARG 32 1HD ARG 32 -10.695 -17.765 7.965 246 HH11 ARG 32 1HH1 ARG 32 -10.265 -17.894 9.740 247 HH12 ARG 32 2HH1 ARG 32 -8.917 -17.839 10.837 248 HH21 ARG 32 1HH2 ARG 32 -7.198 -15.334 9.084 249 HH22 ARG 32 2HH2 ARG 32 -7.195 -16.369 10.479 250 H TRP 33 HN TRP 33 -10.019 -12.961 4.137 251 HA TRP 33 HA TRP 33 -12.317 -11.939 2.620 252 HD1 TRP 33 1HD TRP 33 -12.180 -12.111 6.781 253 HE1 TRP 33 1HE TRP 33 -14.662 -12.497 7.382 254 HE3 TRP 33 3HE TRP 33 -14.319 -9.956 2.680 255 HZ2 TRP 33 2HZ TRP 33 -17.188 -11.963 6.226 256 HZ3 TRP 33 3HZ TRP 33 -16.771 -9.944 2.492 257 HH2 TRP 33 2HH TRP 33 -18.174 -10.928 4.230 258 HB2 TRP 33 2HB TRP 33 -10.928 -10.729 4.994 259 HB3 TRP 33 1HB TRP 33 -11.907 -9.759 3.894 260 H PHE 34 HN PHE 34 -11.441 -11.902 0.655 261 HA PHE 34 HA PHE 34 -9.537 -9.761 0.153 262 HD1 PHE 34 2HD PHE 34 -6.934 -9.667 -0.233 263 HD2 PHE 34 1HD PHE 34 -8.521 -12.279 -3.194 264 HE1 PHE 34 2HE PHE 34 -5.410 -8.694 -1.901 265 HE2 PHE 34 1HE PHE 34 -6.994 -11.315 -4.867 266 HZ PHE 34 HZ PHE 34 -5.440 -9.517 -4.222 267 HB2 PHE 34 2HB PHE 34 -8.184 -11.851 0.302 268 HB3 PHE 34 1HB PHE 34 -9.163 -12.546 -0.985 269 H ARG 35 HN ARG 35 -10.213 -8.572 -1.513 270 HA ARG 35 HA ARG 35 -12.503 -9.557 -3.042 271 HE ARG 35 HE ARG 35 -14.231 -5.678 0.490 272 HB2 ARG 35 2HB ARG 35 -11.426 -6.749 -2.679 273 HB3 ARG 35 1HB ARG 35 -12.826 -7.168 -3.655 274 HG2 ARG 35 2HG ARG 35 -13.871 -8.101 -1.570 275 HG3 ARG 35 1HG ARG 35 -12.533 -7.378 -0.673 276 HD2 ARG 35 2HD ARG 35 -13.125 -5.182 -1.607 277 HD3 ARG 35 1HD ARG 35 -14.490 -5.915 -2.443 278 HH11 ARG 35 1HH1 ARG 35 -16.191 -6.122 -2.385 279 HH12 ARG 35 2HH1 ARG 35 -17.692 -5.759 -1.574 280 HH21 ARG 35 1HH2 ARG 35 -16.217 -5.211 1.561 281 HH22 ARG 35 2HH2 ARG 35 -17.701 -5.222 0.653 282 HA PRO 36 HA PRO 36 -10.302 -9.649 -6.939 283 HB2 PRO 36 2HB PRO 36 -12.314 -7.799 -8.089 284 HB3 PRO 36 1HB PRO 36 -11.853 -9.423 -8.610 285 HG2 PRO 36 2HG PRO 36 -14.189 -8.972 -7.388 286 HG3 PRO 36 1HG PRO 36 -13.263 -10.455 -7.098 287 HD2 PRO 36 2HD PRO 36 -13.528 -8.018 -5.386 288 HD3 PRO 36 1HD PRO 36 -13.466 -9.730 -4.914 289 H ASN 37 HN ASN 37 -8.467 -8.538 -6.512 290 HA ASN 37 HA ASN 37 -6.898 -6.915 -6.665 291 HB2 ASN 37 2HB ASN 37 -9.077 -5.326 -8.039 292 HB3 ASN 37 1HB ASN 37 -7.411 -4.777 -7.864 293 HD21 ASN 37 1HD2 ASN 37 -9.575 -6.860 -9.529 294 HD22 ASN 37 2HD2 ASN 37 -8.457 -7.436 -10.714 295 H LEU 38 HN LEU 38 -7.262 -4.092 -6.304 296 HA LEU 38 HA LEU 38 -7.378 -2.545 -4.654 297 HG LEU 38 HG LEU 38 -10.054 -2.836 -5.423 298 HB2 LEU 38 2HB LEU 38 -9.437 -4.452 -3.582 299 HB3 LEU 38 1HB LEU 38 -8.919 -3.065 -2.648 300 HD11 LEU 38 1HD1 LEU 38 -11.462 -2.590 -2.766 301 HD12 LEU 38 2HD1 LEU 38 -11.702 -3.875 -3.951 302 HD13 LEU 38 3HD1 LEU 38 -12.162 -2.215 -4.341 303 HD21 LEU 38 3HD2 LEU 38 -10.430 -0.507 -4.742 304 HD22 LEU 38 1HD2 LEU 38 -8.722 -0.937 -4.692 305 HD23 LEU 38 2HD2 LEU 38 -9.650 -0.841 -3.197 306 H GLN 39 HN GLN 39 -5.748 -2.173 -3.368 307 HA GLN 39 HA GLN 39 -4.625 -4.414 -1.850 308 HB2 GLN 39 2HB GLN 39 -3.365 -1.699 -2.195 309 HB3 GLN 39 1HB GLN 39 -2.582 -3.216 -1.780 310 HG2 GLN 39 2HG GLN 39 -3.914 -2.899 -4.431 311 HG3 GLN 39 1HG GLN 39 -2.324 -2.201 -4.158 312 HE21 GLN 39 1HE2 GLN 39 -3.421 -5.236 -2.744 313 HE22 GLN 39 2HE2 GLN 39 -2.358 -6.249 -3.653 314 H LYS 40 HN LYS 40 -5.894 -4.501 -0.029 315 HA LYS 40 HA LYS 40 -6.553 -2.136 1.446 316 HB2 LYS 40 2HB LYS 40 -7.415 -3.680 3.166 317 HB3 LYS 40 1HB LYS 40 -8.019 -4.090 1.569 318 HG2 LYS 40 2HG LYS 40 -6.414 -5.912 1.411 319 HG3 LYS 40 1HG LYS 40 -5.764 -5.487 2.996 320 HD2 LYS 40 2HD LYS 40 -8.059 -5.885 3.937 321 HD3 LYS 40 1HD LYS 40 -8.525 -6.517 2.357 322 HE2 LYS 40 2HE LYS 40 -7.940 -8.360 3.789 323 HE3 LYS 40 1HE LYS 40 -6.701 -8.190 2.544 324 HZ1 LYS 40 3HZ LYS 40 -5.645 -8.554 4.650 325 HZ2 LYS 40 1HZ LYS 40 -6.519 -7.291 5.373 326 HZ3 LYS 40 2HZ LYS 40 -5.357 -6.952 4.188 327 H VAL 41 HN VAL 41 -5.077 -1.001 2.484 328 HA VAL 41 HA VAL 41 -2.816 -2.443 3.707 329 HB VAL 41 HB VAL 41 -1.395 -0.469 3.204 330 HG11 VAL 41 1HG1 VAL 41 -1.348 -2.431 1.760 331 HG12 VAL 41 2HG1 VAL 41 -1.085 -0.954 0.831 332 HG13 VAL 41 3HG1 VAL 41 -2.657 -1.757 0.787 333 HG21 VAL 41 3HG2 VAL 41 -3.773 0.423 1.578 334 HG22 VAL 41 1HG2 VAL 41 -2.163 1.144 1.507 335 HG23 VAL 41 2HG2 VAL 41 -3.103 1.232 2.996 336 H ARG 42 HN ARG 42 -1.709 -1.230 5.398 337 HA ARG 42 HA ARG 42 -3.626 0.201 7.086 338 HE ARG 42 HE ARG 42 0.669 -1.089 9.737 339 HB2 ARG 42 2HB ARG 42 -2.607 -1.725 8.140 340 HB3 ARG 42 1HB ARG 42 -0.998 -1.181 7.691 341 HG2 ARG 42 2HG ARG 42 -1.173 0.696 9.213 342 HG3 ARG 42 1HG ARG 42 -2.827 0.230 9.624 343 HD2 ARG 42 2HD ARG 42 -1.180 -0.504 11.316 344 HD3 ARG 42 1HD ARG 42 -2.052 -1.848 10.585 345 HH11 ARG 42 1HH1 ARG 42 -1.658 -3.487 10.788 346 HH12 ARG 42 2HH1 ARG 42 -0.605 -4.831 10.477 347 HH21 ARG 42 1HH2 ARG 42 2.081 -2.860 9.365 348 HH22 ARG 42 2HH2 ARG 42 1.523 -4.481 9.674 349 H VAL 43 HN VAL 43 -3.555 2.330 6.841 350 HA VAL 43 HA VAL 43 -0.959 3.592 6.272 351 HB VAL 43 HB VAL 43 -2.238 5.509 5.393 352 HG11 VAL 43 1HG1 VAL 43 -2.914 2.856 4.123 353 HG12 VAL 43 2HG1 VAL 43 -1.448 3.803 3.864 354 HG13 VAL 43 3HG1 VAL 43 -3.006 4.428 3.326 355 HG21 VAL 43 3HG2 VAL 43 -4.289 5.231 6.688 356 HG22 VAL 43 1HG2 VAL 43 -4.654 3.745 5.810 357 HG23 VAL 43 2HG2 VAL 43 -4.641 5.290 4.960 358 H VAL 44 HN VAL 44 -0.633 5.750 7.190 359 HA VAL 44 HA VAL 44 -1.810 5.896 9.887 360 HB VAL 44 HB VAL 44 0.614 5.647 9.934 361 HG11 VAL 44 1HG1 VAL 44 0.705 8.175 8.295 362 HG12 VAL 44 2HG1 VAL 44 1.178 6.564 7.761 363 HG13 VAL 44 3HG1 VAL 44 2.102 7.379 9.021 364 HG21 VAL 44 3HG2 VAL 44 -0.376 6.985 11.696 365 HG22 VAL 44 1HG2 VAL 44 -0.262 8.432 10.692 366 HG23 VAL 44 2HG2 VAL 44 1.206 7.637 11.260 367 H LEU 45 HN LEU 45 -3.059 7.567 10.431 368 HA LEU 45 HA LEU 45 -3.562 9.631 8.445 369 HG LEU 45 HG LEU 45 -5.449 7.305 9.419 370 HB2 LEU 45 2HB LEU 45 -4.903 8.997 11.074 371 HB3 LEU 45 1HB LEU 45 -5.409 10.270 9.984 372 HD11 LEU 45 1HD1 LEU 45 -7.691 9.293 9.727 373 HD12 LEU 45 2HD1 LEU 45 -7.242 8.053 10.893 374 HD13 LEU 45 3HD1 LEU 45 -7.865 7.589 9.312 375 HD21 LEU 45 3HD2 LEU 45 -6.251 9.600 7.638 376 HD22 LEU 45 1HD2 LEU 45 -6.488 7.887 7.292 377 HD23 LEU 45 2HD2 LEU 45 -4.856 8.546 7.411 378 HA PRO 46 HA PRO 46 -1.067 12.808 9.952 379 HB2 PRO 46 2HB PRO 46 -2.835 14.941 10.089 380 HB3 PRO 46 1HB PRO 46 -2.018 14.385 8.625 381 HG2 PRO 46 2HG PRO 46 -4.778 13.789 9.606 382 HG3 PRO 46 1HG PRO 46 -4.224 14.135 7.954 383 HD2 PRO 46 2HD PRO 46 -4.757 11.637 8.717 384 HD3 PRO 46 1HD PRO 46 -3.368 11.987 7.665 385 H ASP 47 HN ASP 47 -4.107 12.456 11.683 386 HA ASP 47 HA ASP 47 -3.209 14.042 13.924 387 HB2 ASP 47 2HB ASP 47 -5.576 14.028 13.181 388 HB3 ASP 47 1HB ASP 47 -5.692 12.332 13.639 389 H GLY 48 HN GLY 48 -2.511 10.993 12.927 390 HA2 GLY 48 2HA GLY 48 -1.126 9.518 14.140 391 HA3 GLY 48 1HA GLY 48 -1.731 10.216 15.633 392 H THR 49 HN THR 49 -3.555 8.941 12.891 393 HA THR 49 HA THR 49 -4.721 6.950 14.714 394 HB THR 49 HB THR 49 -6.116 7.711 12.200 395 HG1 THR 49 1HG THR 49 -6.954 9.580 13.096 396 HG21 THR 49 3HG2 THR 49 -8.096 7.332 13.560 397 HG22 THR 49 1HG2 THR 49 -7.090 7.138 14.995 398 HG23 THR 49 2HG2 THR 49 -6.993 5.961 13.685 399 H ILE 50 HN ILE 50 -5.089 4.868 13.896 400 HA ILE 50 HA ILE 50 -3.486 4.180 11.530 401 HB ILE 50 HB ILE 50 -4.295 2.477 13.899 402 HG12 ILE 50 2HG1 ILE 50 -1.745 2.159 13.989 403 HG13 ILE 50 1HG1 ILE 50 -1.649 3.534 12.896 404 HG21 ILE 50 1HG2 ILE 50 -4.466 1.147 11.873 405 HG22 ILE 50 2HG2 ILE 50 -3.084 0.632 12.837 406 HG23 ILE 50 3HG2 ILE 50 -2.837 1.625 11.401 407 HD11 ILE 50 3HD1 ILE 50 -2.772 4.926 14.569 408 HD12 ILE 50 1HD1 ILE 50 -1.286 4.208 15.194 409 HD13 ILE 50 2HD1 ILE 50 -2.850 3.540 15.659 410 H LYS 51 HN LYS 51 -4.579 3.599 9.751 411 HA LYS 51 HA LYS 51 -7.325 2.612 10.107 412 HB2 LYS 51 2HB LYS 51 -7.319 5.050 9.616 413 HB3 LYS 51 1HB LYS 51 -6.510 4.713 8.095 414 HG2 LYS 51 2HG LYS 51 -8.656 4.862 7.368 415 HG3 LYS 51 1HG LYS 51 -8.600 3.140 7.739 416 HD2 LYS 51 2HD LYS 51 -9.660 5.299 9.565 417 HD3 LYS 51 1HD LYS 51 -10.643 4.205 8.593 418 HE2 LYS 51 2HE LYS 51 -9.630 2.299 9.832 419 HE3 LYS 51 1HE LYS 51 -8.811 3.463 10.870 420 HZ1 LYS 51 3HZ LYS 51 -10.821 2.689 11.915 421 HZ2 LYS 51 1HZ LYS 51 -11.748 3.133 10.567 422 HZ3 LYS 51 2HZ LYS 51 -11.004 4.328 11.515 423 H ARG 52 HN ARG 52 -7.921 1.000 8.791 424 HA ARG 52 HA ARG 52 -6.072 0.101 6.720 425 HE ARG 52 HE ARG 52 -7.596 -3.913 10.625 426 HB2 ARG 52 2HB ARG 52 -8.694 -1.116 7.598 427 HB3 ARG 52 1HB ARG 52 -7.541 -1.839 6.491 428 HG2 ARG 52 2HG ARG 52 -5.891 -1.848 8.391 429 HG3 ARG 52 1HG ARG 52 -7.235 -1.392 9.447 430 HD2 ARG 52 2HD ARG 52 -8.472 -3.395 8.531 431 HD3 ARG 52 1HD ARG 52 -6.958 -3.883 7.776 432 HH11 ARG 52 1HH1 ARG 52 -5.202 -4.371 8.118 433 HH12 ARG 52 2HH1 ARG 52 -4.181 -5.396 9.081 434 HH21 ARG 52 1HH2 ARG 52 -6.293 -5.307 11.895 435 HH22 ARG 52 2HH2 ARG 52 -4.815 -5.931 11.226 436 H MET 53 HN MET 53 -6.330 0.702 4.665 437 HA MET 53 HA MET 53 -9.026 1.530 3.807 438 HB2 MET 53 2HB MET 53 -6.433 2.937 3.152 439 HB3 MET 53 1HB MET 53 -7.988 3.297 2.410 440 HG2 MET 53 2HG MET 53 -8.887 3.905 4.610 441 HG3 MET 53 1HG MET 53 -7.310 3.594 5.330 442 HE1 MET 53 3HE MET 53 -9.312 5.831 2.771 443 HE2 MET 53 1HE MET 53 -7.980 5.179 1.816 444 HE3 MET 53 2HE MET 53 -8.034 6.901 2.193 445 H ARG 54 HN ARG 54 -9.542 1.194 1.645 446 HA ARG 54 HA ARG 54 -7.969 -0.894 0.351 447 HE ARG 54 HE ARG 54 -12.968 -3.320 1.519 448 HB2 ARG 54 2HB ARG 54 -10.652 0.283 -0.410 449 HB3 ARG 54 1HB ARG 54 -9.906 -1.140 -1.128 450 HG2 ARG 54 2HG ARG 54 -10.169 -2.397 0.846 451 HG3 ARG 54 1HG ARG 54 -10.553 -0.962 1.798 452 HD2 ARG 54 2HD ARG 54 -12.605 -0.682 0.411 453 HD3 ARG 54 1HD ARG 54 -12.232 -2.222 -0.360 454 HH11 ARG 54 1HH1 ARG 54 -12.514 0.074 2.315 455 HH12 ARG 54 2HH1 ARG 54 -13.361 -0.049 3.823 456 HH21 ARG 54 1HH2 ARG 54 -14.072 -3.469 3.504 457 HH22 ARG 54 2HH2 ARG 54 -14.247 -2.061 4.504 458 H VAL 55 HN VAL 55 -6.290 -0.096 -0.724 459 HA VAL 55 HA VAL 55 -6.653 2.384 -2.282 460 HB VAL 55 HB VAL 55 -4.069 1.250 -1.186 461 HG11 VAL 55 1HG1 VAL 55 -4.700 3.961 -2.344 462 HG12 VAL 55 2HG1 VAL 55 -3.779 2.682 -3.139 463 HG13 VAL 55 3HG1 VAL 55 -3.146 3.449 -1.681 464 HG21 VAL 55 3HG2 VAL 55 -4.181 3.020 0.502 465 HG22 VAL 55 1HG2 VAL 55 -5.528 1.895 0.650 466 HG23 VAL 55 2HG2 VAL 55 -5.779 3.478 -0.084 467 H CYS 56 HN CYS 56 -5.642 2.504 -4.363 468 HA CYS 56 HA CYS 56 -5.344 -0.105 -5.631 469 HG CYS 56 HG CYS 56 -5.468 3.757 -8.221 470 HB2 CYS 56 2HB CYS 56 -5.348 1.179 -7.754 471 HB3 CYS 56 1HB CYS 56 -6.783 1.477 -6.780 472 H THR 57 HN THR 57 -3.491 -0.569 -6.976 473 HA THR 57 HA THR 57 -1.057 -0.048 -5.681 474 HB THR 57 HB THR 57 -1.503 -2.064 -7.068 475 HG1 THR 57 1HG THR 57 0.623 -1.868 -6.729 476 HG21 THR 57 3HG2 THR 57 -1.218 -1.936 -9.501 477 HG22 THR 57 1HG2 THR 57 -1.119 -0.180 -9.397 478 HG23 THR 57 2HG2 THR 57 -2.617 -1.007 -8.963 479 H SER 58 HN SER 58 -2.740 1.721 -8.141 480 HA SER 58 HA SER 58 -0.621 3.184 -9.246 481 HG SER 58 HG SER 58 -2.757 2.853 -11.099 482 HB2 SER 58 2HB SER 58 -3.416 4.230 -8.763 483 HB3 SER 58 1HB SER 58 -2.305 4.670 -10.062 484 H CYS 59 HN CYS 59 -2.803 3.983 -6.546 485 HA CYS 59 HA CYS 59 -1.493 6.357 -5.790 486 HG CYS 59 HG CYS 59 -3.926 7.345 -5.980 487 HB2 CYS 59 2HB CYS 59 -3.288 4.472 -4.257 488 HB3 CYS 59 1HB CYS 59 -2.754 6.026 -3.640 489 H LEU 60 HN LEU 60 -1.055 2.995 -4.929 490 HA LEU 60 HA LEU 60 0.759 3.326 -2.800 491 HG LEU 60 HG LEU 60 -1.537 1.224 -3.442 492 HB2 LEU 60 2HB LEU 60 0.472 1.083 -4.798 493 HB3 LEU 60 1HB LEU 60 1.474 0.998 -3.366 494 HD11 LEU 60 1HD1 LEU 60 -0.688 -0.986 -3.971 495 HD12 LEU 60 2HD1 LEU 60 -1.436 -0.976 -2.374 496 HD13 LEU 60 3HD1 LEU 60 0.321 -0.963 -2.527 497 HD21 LEU 60 3HD2 LEU 60 -0.666 2.522 -1.574 498 HD22 LEU 60 1HD2 LEU 60 0.337 1.158 -1.077 499 HD23 LEU 60 2HD2 LEU 60 -1.420 1.034 -0.996 500 H LYS 61 HN LYS 61 1.224 3.021 -6.285 501 HA LYS 61 HA LYS 61 4.061 2.987 -6.228 502 HB2 LYS 61 2HB LYS 61 2.800 2.114 -8.130 503 HB3 LYS 61 1HB LYS 61 2.143 3.712 -8.453 504 HG2 LYS 61 2HG LYS 61 4.437 4.513 -8.916 505 HG3 LYS 61 1HG LYS 61 5.017 2.857 -8.714 506 HD2 LYS 61 2HD LYS 61 3.603 2.118 -10.552 507 HD3 LYS 61 1HD LYS 61 2.954 3.748 -10.729 508 HE2 LYS 61 2HE LYS 61 5.224 4.561 -11.247 509 HE3 LYS 61 1HE LYS 61 5.817 2.903 -11.145 510 HZ1 LYS 61 3HZ LYS 61 5.385 3.612 -13.434 511 HZ2 LYS 61 1HZ LYS 61 3.747 3.851 -13.056 512 HZ3 LYS 61 2HZ LYS 61 4.418 2.292 -12.990 513 H SER 62 HN SER 62 1.710 5.564 -6.932 514 HA SER 62 HA SER 62 3.619 7.584 -7.382 515 HG SER 62 HG SER 62 0.630 8.362 -8.844 516 HB2 SER 62 2HB SER 62 0.762 7.879 -6.421 517 HB3 SER 62 1HB SER 62 1.748 9.142 -7.162 518 H GLY 63 HN GLY 63 2.412 6.156 -4.493 519 HA2 GLY 63 2HA GLY 63 3.101 6.439 -2.313 520 HA3 GLY 63 1HA GLY 63 4.261 7.635 -2.883 521 H LYS 64 HN LYS 64 0.761 7.671 -3.344 522 HA LYS 64 HA LYS 64 0.706 10.326 -2.131 523 HB2 LYS 64 2HB LYS 64 -0.653 9.125 -4.297 524 HB3 LYS 64 1HB LYS 64 -1.868 9.470 -3.072 525 HG2 LYS 64 2HG LYS 64 0.057 11.431 -4.305 526 HG3 LYS 64 1HG LYS 64 -1.686 11.340 -4.574 527 HD2 LYS 64 2HD LYS 64 -2.136 11.974 -2.309 528 HD3 LYS 64 1HD LYS 64 -0.431 11.842 -1.881 529 HE2 LYS 64 2HE LYS 64 -0.981 14.156 -2.129 530 HE3 LYS 64 1HE LYS 64 0.055 13.680 -3.471 531 HZ1 LYS 64 3HZ LYS 64 -2.864 14.164 -3.506 532 HZ2 LYS 64 1HZ LYS 64 -2.057 13.378 -4.775 533 HZ3 LYS 64 2HZ LYS 64 -1.663 14.974 -4.376 534 H VAL 65 HN VAL 65 0.530 7.343 -0.990 535 HA VAL 65 HA VAL 65 -1.562 7.972 0.969 536 HB VAL 65 HB VAL 65 -1.552 5.555 1.532 537 HG11 VAL 65 1HG1 VAL 65 -2.737 4.806 -0.472 538 HG12 VAL 65 2HG1 VAL 65 -2.071 6.168 -1.373 539 HG13 VAL 65 3HG1 VAL 65 -3.188 6.457 -0.038 540 HG21 VAL 65 3HG2 VAL 65 0.260 5.308 -0.872 541 HG22 VAL 65 1HG2 VAL 65 -0.468 3.965 0.007 542 HG23 VAL 65 2HG2 VAL 65 0.718 5.002 0.803 543 H LYS 66 HN LYS 66 -1.064 8.068 3.106 544 HA LYS 66 HA LYS 66 1.720 8.258 3.794 545 HB2 LYS 66 2HB LYS 66 -0.776 8.534 5.485 546 HB3 LYS 66 1HB LYS 66 0.862 8.844 6.060 547 HG2 LYS 66 2HG LYS 66 1.123 10.604 4.390 548 HG3 LYS 66 1HG LYS 66 -0.507 10.295 3.802 549 HD2 LYS 66 2HD LYS 66 -1.430 10.977 5.946 550 HD3 LYS 66 1HD LYS 66 0.199 11.225 6.584 551 HE2 LYS 66 2HE LYS 66 0.604 12.962 4.931 552 HE3 LYS 66 1HE LYS 66 -0.987 12.686 4.226 553 HZ1 LYS 66 3HZ LYS 66 -0.562 13.555 7.029 554 HZ2 LYS 66 1HZ LYS 66 -2.031 13.499 6.178 555 HZ3 LYS 66 2HZ LYS 66 -0.841 14.627 5.746 556 H LYS 67 HN LYS 67 2.580 6.328 3.549 557 HA LYS 67 HA LYS 67 1.298 3.894 4.318 558 HB2 LYS 67 2HB LYS 67 2.909 4.435 2.351 559 HB3 LYS 67 1HB LYS 67 4.185 4.224 3.531 560 HG2 LYS 67 2HG LYS 67 3.504 1.917 3.887 561 HG3 LYS 67 1HG LYS 67 2.170 2.127 2.746 562 HD2 LYS 67 2HD LYS 67 3.885 2.776 1.022 563 HD3 LYS 67 1HD LYS 67 5.128 2.283 2.168 564 HE2 LYS 67 2HE LYS 67 4.213 0.011 2.178 565 HE3 LYS 67 1HE LYS 67 2.959 0.509 1.042 566 HZ1 LYS 67 3HZ LYS 67 4.692 -0.554 -0.186 567 HZ2 LYS 67 1HZ LYS 67 5.886 0.403 0.542 568 HZ3 LYS 67 2HZ LYS 67 4.774 1.101 -0.532 569 H TYR 68 HN TYR 68 1.953 2.420 5.906 570 HA TYR 68 HA TYR 68 3.151 3.600 8.248 571 HD1 TYR 68 2HD TYR 68 1.652 3.395 10.391 572 HD2 TYR 68 1HD TYR 68 3.329 -0.436 9.613 573 HE1 TYR 68 2HE TYR 68 2.095 3.105 12.793 574 HE2 TYR 68 1HE TYR 68 3.775 -0.735 12.010 575 HH TYR 68 HH TYR 68 4.126 0.720 14.003 576 HB2 TYR 68 2HB TYR 68 1.165 2.013 8.244 577 HB3 TYR 68 1HB TYR 68 2.301 0.723 7.869 578 H VAL 69 HN VAL 69 4.570 2.681 5.592 579 HA VAL 69 HA VAL 69 6.748 2.345 5.066 580 HB VAL 69 HB VAL 69 7.212 2.041 8.038 581 HG11 VAL 69 1HG1 VAL 69 8.965 0.922 6.768 582 HG12 VAL 69 2HG1 VAL 69 9.584 2.395 7.522 583 HG13 VAL 69 3HG1 VAL 69 9.204 2.374 5.796 584 HG21 VAL 69 3HG2 VAL 69 8.109 4.321 7.893 585 HG22 VAL 69 1HG2 VAL 69 6.411 4.257 7.430 586 HG23 VAL 69 2HG2 VAL 69 7.658 4.381 6.190 587 H GLY 70 HN GLY 70 5.258 0.031 7.254 588 HA2 GLY 70 2HA GLY 70 7.093 -2.087 6.798 589 HA3 GLY 70 1HA GLY 70 5.491 -2.240 7.491 590 H GLN 71 HN GLN 71 6.986 -1.591 4.337 591 HA GLN 71 HA GLN 71 6.107 -3.964 3.137 592 HB2 GLN 71 2HB GLN 71 3.871 -2.998 3.187 593 HB3 GLN 71 1HB GLN 71 4.456 -1.518 2.440 594 HG2 GLN 71 2HG GLN 71 3.261 -2.950 0.856 595 HG3 GLN 71 1HG GLN 71 4.943 -2.695 0.392 596 HE21 GLN 71 1HE2 GLN 71 2.588 -4.983 1.488 597 HE22 GLN 71 2HE2 GLN 71 3.534 -6.406 1.205 598 H VAL 72 HN VAL 72 8.043 -4.141 2.206 599 HA VAL 72 HA VAL 72 9.210 -1.851 0.819 600 HB VAL 72 HB VAL 72 10.459 -4.544 1.401 601 HG11 VAL 72 1HG1 VAL 72 11.515 -3.396 -0.462 602 HG12 VAL 72 2HG1 VAL 72 12.581 -3.396 0.942 603 HG13 VAL 72 3HG1 VAL 72 11.690 -1.936 0.511 604 HG21 VAL 72 3HG2 VAL 72 11.641 -3.423 3.224 605 HG22 VAL 72 1HG2 VAL 72 9.896 -3.369 3.469 606 HG23 VAL 72 2HG2 VAL 72 10.750 -1.936 2.895 607 H SER 73 HN SER 73 7.971 -5.059 0.226 608 HA SER 73 HA SER 73 7.761 -6.390 -1.564 609 HG SER 73 HG SER 73 7.910 -3.077 -2.322 610 HB2 SER 73 2HB SER 73 7.032 -5.224 -3.711 611 HB3 SER 73 1HB SER 73 6.043 -4.960 -2.280 612 H GLU 74 HN GLU 74 9.270 -3.825 -3.519 613 HA GLU 74 HA GLU 74 11.324 -5.781 -4.263 614 HB2 GLU 74 2HB GLU 74 10.561 -3.156 -5.559 615 HB3 GLU 74 1HB GLU 74 11.806 -4.251 -6.142 616 HG2 GLU 74 2HG GLU 74 10.111 -5.982 -6.493 617 HG3 GLU 74 1HG GLU 74 8.866 -4.861 -5.940 618 H VAL 75 HN VAL 75 13.357 -5.573 -3.557 619 HA VAL 75 HA VAL 75 14.070 -3.188 -2.036 620 HB VAL 75 HB VAL 75 15.689 -5.712 -2.417 621 HG11 VAL 75 1HG1 VAL 75 16.903 -4.952 -0.426 622 HG12 VAL 75 2HG1 VAL 75 15.932 -3.481 -0.402 623 HG13 VAL 75 3HG1 VAL 75 17.025 -3.794 -1.750 624 HG21 VAL 75 3HG2 VAL 75 14.902 -6.365 -0.186 625 HG22 VAL 75 1HG2 VAL 75 13.576 -6.249 -1.342 626 HG23 VAL 75 2HG2 VAL 75 13.829 -4.966 -0.161 627 H GLY 76 HN GLY 76 14.648 -1.577 -3.352 628 HA2 GLY 76 2HA GLY 76 16.169 -2.092 -5.774 629 HA3 GLY 76 1HA GLY 76 15.516 -0.547 -5.255 630 H SER 77 HN SER 77 18.025 -2.913 -4.504 631 HA SER 77 HA SER 77 19.878 -0.710 -4.000 632 HG SER 77 HG SER 77 18.896 -0.344 -1.892 633 HB2 SER 77 2HB SER 77 19.542 -3.097 -2.158 634 HB3 SER 77 1HB SER 77 20.768 -1.839 -2.000 Start of MODEL 14 1 HA GLN 1 HA GLN 1 -30.079 0.067 -0.170 2 H1 GLN 1 1HT GLN 1 -30.439 2.448 0.056 3 H2 GLN 1 2HT GLN 1 -30.746 2.563 -1.612 4 H3 GLN 1 3HT GLN 1 -29.214 2.103 -1.064 5 HB2 GLN 1 2HB GLN 1 -32.704 1.097 -1.264 6 HB3 GLN 1 1HB GLN 1 -32.438 -0.545 -0.697 7 HG2 GLN 1 2HG GLN 1 -31.973 0.280 1.535 8 HG3 GLN 1 1HG GLN 1 -32.180 1.941 0.978 9 HE21 GLN 1 1HE2 GLN 1 -33.854 2.321 2.415 10 HE22 GLN 1 2HE2 GLN 1 -35.432 1.639 2.201 11 H GLY 2 HN GLY 2 -30.305 -1.838 -1.490 12 HA2 GLY 2 2HA GLY 2 -30.837 -2.860 -3.600 13 HA3 GLY 2 1HA GLY 2 -30.476 -1.330 -4.386 14 H HIS 3 HN HIS 3 -29.451 -4.120 -4.739 15 HA HIS 3 HA HIS 3 -26.640 -3.848 -4.106 16 HD1 HIS 3 1HD HIS 3 -26.137 -6.889 -7.166 17 HD2 HIS 3 2HD HIS 3 -25.002 -6.182 -3.223 18 HE1 HIS 3 1HE HIS 3 -23.811 -7.835 -6.942 19 HE2 HIS 3 2HE HIS 3 -23.215 -7.534 -4.510 20 HB2 HIS 3 2HB HIS 3 -27.818 -6.065 -4.046 21 HB3 HIS 3 1HB HIS 3 -28.002 -5.964 -5.794 22 H MET 4 HN MET 4 -26.525 -1.796 -5.316 23 HA MET 4 HA MET 4 -26.688 -1.877 -8.181 24 HB2 MET 4 2HB MET 4 -25.816 0.180 -6.187 25 HB3 MET 4 1HB MET 4 -25.413 0.397 -7.882 26 HG2 MET 4 2HG MET 4 -27.409 1.610 -7.397 27 HG3 MET 4 1HG MET 4 -27.820 0.245 -8.431 28 HE1 MET 4 3HE MET 4 -31.019 0.588 -6.239 29 HE2 MET 4 1HE MET 4 -30.360 0.521 -7.873 30 HE3 MET 4 2HE MET 4 -30.008 1.905 -6.835 31 H ILE 5 HN ILE 5 -24.535 -3.192 -6.134 32 HA ILE 5 HA ILE 5 -22.513 -4.184 -6.426 33 HB ILE 5 HB ILE 5 -22.609 -3.064 -9.232 34 HG12 ILE 5 2HG1 ILE 5 -23.214 -5.846 -8.201 35 HG13 ILE 5 1HG1 ILE 5 -24.432 -4.661 -8.661 36 HG21 ILE 5 1HG2 ILE 5 -20.323 -3.540 -8.559 37 HG22 ILE 5 2HG2 ILE 5 -20.869 -4.749 -9.720 38 HG23 ILE 5 3HG2 ILE 5 -20.796 -5.143 -8.002 39 HD11 ILE 5 3HD1 ILE 5 -22.375 -5.886 -10.483 40 HD12 ILE 5 1HD1 ILE 5 -23.587 -4.692 -10.950 41 HD13 ILE 5 2HD1 ILE 5 -24.089 -6.294 -10.412 42 H MET 6 HN MET 6 -20.819 -3.442 -5.381 43 HA MET 6 HA MET 6 -20.313 -0.671 -5.131 44 HB2 MET 6 2HB MET 6 -19.822 -2.232 -3.318 45 HB3 MET 6 1HB MET 6 -18.601 -3.025 -4.304 46 HG2 MET 6 2HG MET 6 -17.352 -0.882 -4.371 47 HG3 MET 6 1HG MET 6 -18.533 -0.206 -3.250 48 HE1 MET 6 3HE MET 6 -15.352 -0.672 -1.007 49 HE2 MET 6 1HE MET 6 -16.597 0.458 -1.539 50 HE3 MET 6 2HE MET 6 -15.426 -0.170 -2.698 51 H ALA 7 HN ALA 7 -19.498 0.517 -6.737 52 HA ALA 7 HA ALA 7 -17.484 -0.467 -8.529 53 HB1 ALA 7 1HB ALA 7 -19.071 1.276 -9.232 54 HB2 ALA 7 2HB ALA 7 -17.397 1.809 -9.383 55 HB3 ALA 7 3HB ALA 7 -18.385 2.374 -8.033 56 H LYS 8 HN LYS 8 -15.989 -1.240 -7.000 57 HA LYS 8 HA LYS 8 -14.905 0.146 -4.878 58 HB2 LYS 8 2HB LYS 8 -13.104 -1.440 -4.871 59 HB3 LYS 8 1HB LYS 8 -14.588 -2.278 -5.289 60 HG2 LYS 8 2HG LYS 8 -12.718 -1.317 -7.413 61 HG3 LYS 8 1HG LYS 8 -12.431 -2.834 -6.569 62 HD2 LYS 8 2HD LYS 8 -14.595 -3.668 -7.287 63 HD3 LYS 8 1HD LYS 8 -14.944 -2.129 -8.073 64 HE2 LYS 8 2HE LYS 8 -13.200 -2.454 -9.663 65 HE3 LYS 8 1HE LYS 8 -12.594 -3.863 -8.791 66 HZ1 LYS 8 3HZ LYS 8 -13.948 -4.379 -10.795 67 HZ2 LYS 8 1HZ LYS 8 -15.299 -3.729 -10.000 68 HZ3 LYS 8 2HZ LYS 8 -14.510 -5.094 -9.369 69 H ARG 9 HN ARG 9 -13.177 1.456 -4.564 70 HA ARG 9 HA ARG 9 -11.552 2.346 -6.771 71 HE ARG 9 HE ARG 9 -13.889 7.144 -5.706 72 HB2 ARG 9 2HB ARG 9 -12.233 4.704 -6.480 73 HB3 ARG 9 1HB ARG 9 -13.550 3.704 -7.073 74 HG2 ARG 9 2HG ARG 9 -14.226 3.529 -4.587 75 HG3 ARG 9 1HG ARG 9 -13.173 4.926 -4.366 76 HD2 ARG 9 2HD ARG 9 -15.538 4.752 -6.234 77 HD3 ARG 9 1HD ARG 9 -15.487 5.620 -4.700 78 HH11 ARG 9 1HH1 ARG 9 -15.606 5.007 -7.877 79 HH12 ARG 9 2HH1 ARG 9 -15.375 6.015 -9.273 80 HH21 ARG 9 1HH2 ARG 9 -13.608 8.510 -7.546 81 HH22 ARG 9 2HH2 ARG 9 -14.269 8.011 -9.076 82 H CYS 10 HN CYS 10 -9.852 3.839 -6.019 83 HA CYS 10 HA CYS 10 -8.798 3.151 -3.486 84 HG CYS 10 HG CYS 10 -5.444 5.400 -4.206 85 HB2 CYS 10 2HB CYS 10 -7.371 3.869 -5.352 86 HB3 CYS 10 1HB CYS 10 -8.091 5.476 -5.293 87 H GLU 11 HN GLU 11 -9.291 3.896 -1.559 88 HA GLU 11 HA GLU 11 -11.268 5.943 -1.267 89 HB2 GLU 11 2HB GLU 11 -9.635 4.548 0.862 90 HB3 GLU 11 1HB GLU 11 -11.093 5.495 1.129 91 HG2 GLU 11 2HG GLU 11 -12.344 3.880 -0.265 92 HG3 GLU 11 1HG GLU 11 -10.882 2.906 -0.388 93 H VAL 12 HN VAL 12 -8.059 6.155 -1.850 94 HA VAL 12 HA VAL 12 -7.627 8.513 -0.175 95 HB VAL 12 HB VAL 12 -5.694 7.086 -2.010 96 HG11 VAL 12 1HG1 VAL 12 -3.966 8.360 -0.804 97 HG12 VAL 12 2HG1 VAL 12 -5.226 9.213 0.084 98 HG13 VAL 12 3HG1 VAL 12 -5.087 9.420 -1.662 99 HG21 VAL 12 3HG2 VAL 12 -5.978 6.931 0.991 100 HG22 VAL 12 1HG2 VAL 12 -4.706 6.171 0.035 101 HG23 VAL 12 2HG2 VAL 12 -6.381 5.655 -0.156 102 H CYS 13 HN CYS 13 -6.810 7.706 -3.553 103 HA CYS 13 HA CYS 13 -7.028 10.528 -4.223 104 HG CYS 13 HG CYS 13 -4.023 10.699 -4.773 105 HB2 CYS 13 2HB CYS 13 -6.017 8.180 -5.837 106 HB3 CYS 13 1HB CYS 13 -5.974 9.863 -6.360 107 H GLY 14 HN GLY 14 -8.968 7.740 -4.481 108 HA2 GLY 14 2HA GLY 14 -11.091 7.547 -5.389 109 HA3 GLY 14 1HA GLY 14 -10.923 9.174 -6.036 110 H LYS 15 HN LYS 15 -8.522 6.749 -6.666 111 HA LYS 15 HA LYS 15 -9.334 6.714 -9.481 112 HB2 LYS 15 2HB LYS 15 -6.739 5.838 -8.190 113 HB3 LYS 15 1HB LYS 15 -7.073 5.807 -9.915 114 HG2 LYS 15 2HG LYS 15 -7.364 8.261 -9.859 115 HG3 LYS 15 1HG LYS 15 -6.901 8.245 -8.157 116 HD2 LYS 15 2HD LYS 15 -4.733 7.283 -8.761 117 HD3 LYS 15 1HD LYS 15 -5.199 7.295 -10.462 118 HE2 LYS 15 2HE LYS 15 -5.422 9.741 -10.363 119 HE3 LYS 15 1HE LYS 15 -4.912 9.708 -8.677 120 HZ1 LYS 15 3HZ LYS 15 -2.793 8.732 -9.417 121 HZ2 LYS 15 1HZ LYS 15 -3.065 10.270 -10.078 122 HZ3 LYS 15 2HZ LYS 15 -3.296 8.889 -11.027 123 H ALA 16 HN ALA 16 -9.676 4.774 -10.569 124 HA ALA 16 HA ALA 16 -10.797 2.699 -8.966 125 HB1 ALA 16 1HB ALA 16 -11.773 3.309 -11.114 126 HB2 ALA 16 2HB ALA 16 -11.296 1.611 -11.104 127 HB3 ALA 16 3HB ALA 16 -10.300 2.799 -11.941 128 HA PRO 17 HA PRO 17 -7.192 0.096 -8.775 129 HB2 PRO 17 2HB PRO 17 -8.311 -2.129 -7.798 130 HB3 PRO 17 1HB PRO 17 -8.205 -0.654 -6.830 131 HG2 PRO 17 2HG PRO 17 -10.536 -1.771 -8.328 132 HG3 PRO 17 1HG PRO 17 -10.494 -1.023 -6.722 133 HD2 PRO 17 2HD PRO 17 -11.250 0.271 -9.039 134 HD3 PRO 17 1HD PRO 17 -10.658 1.083 -7.578 135 H ARG 18 HN ARG 18 -7.605 0.351 -11.299 136 HA ARG 18 HA ARG 18 -8.220 -2.271 -12.443 137 HE ARG 18 HE ARG 18 -9.798 -1.253 -16.170 138 HB2 ARG 18 2HB ARG 18 -7.794 0.437 -13.707 139 HB3 ARG 18 1HB ARG 18 -7.965 -1.043 -14.639 140 HG2 ARG 18 2HG ARG 18 -10.190 -1.386 -13.660 141 HG3 ARG 18 1HG ARG 18 -10.018 0.135 -12.779 142 HD2 ARG 18 2HD ARG 18 -11.336 0.358 -14.855 143 HD3 ARG 18 1HD ARG 18 -9.889 1.366 -14.843 144 HH11 ARG 18 1HH1 ARG 18 -9.761 2.248 -16.359 145 HH12 ARG 18 2HH1 ARG 18 -9.177 2.280 -17.997 146 HH21 ARG 18 1HH2 ARG 18 -9.004 -1.216 -18.312 147 HH22 ARG 18 2HH2 ARG 18 -8.723 0.303 -19.101 148 H SER 19 HN SER 19 -6.559 -3.595 -12.327 149 HA SER 19 HA SER 19 -3.854 -2.577 -12.800 150 HG SER 19 HG SER 19 -3.923 -3.117 -10.277 151 HB2 SER 19 2HB SER 19 -4.664 -5.343 -11.878 152 HB3 SER 19 1HB SER 19 -3.067 -4.604 -11.776 153 H GLY 20 HN GLY 20 -6.252 -4.873 -13.974 154 HA2 GLY 20 2HA GLY 20 -6.442 -6.000 -15.965 155 HA3 GLY 20 1HA GLY 20 -5.264 -4.868 -16.625 156 H ASN 21 HN ASN 21 -3.446 -5.728 -17.311 157 HA ASN 21 HA ASN 21 -1.953 -7.608 -15.806 158 HB2 ASN 21 2HB ASN 21 -1.995 -9.497 -17.384 159 HB3 ASN 21 1HB ASN 21 -3.592 -9.203 -16.711 160 HD21 ASN 21 1HD2 ASN 21 -1.654 -9.258 -19.544 161 HD22 ASN 21 2HD2 ASN 21 -2.912 -8.934 -20.686 162 H THR 22 HN THR 22 0.071 -7.036 -16.169 163 HA THR 22 HA THR 22 0.863 -5.458 -18.399 164 HB THR 22 HB THR 22 3.214 -6.037 -17.457 165 HG1 THR 22 1HG THR 22 3.071 -7.638 -16.054 166 HG21 THR 22 3HG2 THR 22 2.886 -4.478 -15.557 167 HG22 THR 22 1HG2 THR 22 1.142 -4.608 -15.785 168 HG23 THR 22 2HG2 THR 22 2.146 -3.899 -17.049 169 H VAL 23 HN VAL 23 1.945 -8.691 -17.363 170 HA VAL 23 HA VAL 23 1.823 -9.530 -20.187 171 HB VAL 23 HB VAL 23 3.684 -10.607 -18.050 172 HG11 VAL 23 1HG1 VAL 23 2.922 -12.361 -19.565 173 HG12 VAL 23 2HG1 VAL 23 4.624 -11.989 -19.843 174 HG13 VAL 23 3HG1 VAL 23 3.395 -11.380 -20.951 175 HG21 VAL 23 3HG2 VAL 23 4.399 -8.434 -18.898 176 HG22 VAL 23 1HG2 VAL 23 4.296 -9.037 -20.554 177 HG23 VAL 23 2HG2 VAL 23 5.485 -9.714 -19.440 178 H SER 24 HN SER 24 2.125 -11.159 -17.048 179 HA SER 24 HA SER 24 -0.557 -11.905 -16.783 180 HG SER 24 HG SER 24 -0.517 -15.372 -17.368 181 HB2 SER 24 2HB SER 24 0.049 -13.307 -18.809 182 HB3 SER 24 1HB SER 24 1.176 -14.185 -17.776 183 H HIS 25 HN HIS 25 -0.781 -12.284 -14.664 184 HA HIS 25 HA HIS 25 1.530 -13.335 -13.176 185 HD1 HIS 25 1HD HIS 25 1.791 -11.206 -10.030 186 HD2 HIS 25 2HD HIS 25 1.038 -9.933 -13.925 187 HE1 HIS 25 1HE HIS 25 3.247 -9.188 -10.381 188 HE2 HIS 25 2HE HIS 25 2.888 -8.518 -12.782 189 HB2 HIS 25 2HB HIS 25 -0.859 -11.709 -12.317 190 HB3 HIS 25 1HB HIS 25 0.090 -12.615 -11.144 191 H SER 26 HN SER 26 1.138 -15.028 -11.605 192 HA SER 26 HA SER 26 -0.465 -17.058 -12.887 193 HG SER 26 HG SER 26 1.908 -16.914 -13.042 194 HB2 SER 26 2HB SER 26 1.356 -17.205 -10.479 195 HB3 SER 26 1HB SER 26 0.656 -18.592 -11.320 196 H ASP 27 HN ASP 27 -1.685 -14.827 -11.139 197 HA ASP 27 HA ASP 27 -3.544 -14.581 -9.862 198 HB2 ASP 27 2HB ASP 27 -4.441 -16.317 -11.416 199 HB3 ASP 27 1HB ASP 27 -3.928 -17.554 -10.280 200 H LYS 28 HN LYS 28 -4.599 -15.315 -7.770 201 HA LYS 28 HA LYS 28 -4.319 -15.430 -5.505 202 HB2 LYS 28 2HB LYS 28 -4.370 -17.866 -6.287 203 HB3 LYS 28 1HB LYS 28 -2.624 -17.861 -6.088 204 HG2 LYS 28 2HG LYS 28 -2.895 -17.326 -3.718 205 HG3 LYS 28 1HG LYS 28 -4.648 -17.340 -3.920 206 HD2 LYS 28 2HD LYS 28 -2.775 -19.667 -4.340 207 HD3 LYS 28 1HD LYS 28 -3.888 -19.452 -2.988 208 HE2 LYS 28 2HE LYS 28 -5.783 -19.533 -4.531 209 HE3 LYS 28 1HE LYS 28 -4.674 -19.733 -5.887 210 HZ1 LYS 28 3HZ LYS 28 -5.131 -21.637 -3.652 211 HZ2 LYS 28 1HZ LYS 28 -3.895 -21.807 -4.804 212 HZ3 LYS 28 2HZ LYS 28 -5.520 -21.858 -5.292 213 H LYS 29 HN LYS 29 -2.795 -13.529 -6.282 214 HA LYS 29 HA LYS 29 0.022 -13.986 -5.917 215 HB2 LYS 29 2HB LYS 29 0.264 -11.597 -6.415 216 HB3 LYS 29 1HB LYS 29 -0.743 -12.400 -7.605 217 HG2 LYS 29 2HG LYS 29 -1.933 -10.900 -5.295 218 HG3 LYS 29 1HG LYS 29 -1.452 -10.089 -6.783 219 HD2 LYS 29 2HD LYS 29 -2.983 -11.501 -8.061 220 HD3 LYS 29 1HD LYS 29 -3.436 -12.360 -6.586 221 HE2 LYS 29 2HE LYS 29 -4.291 -10.267 -5.641 222 HE3 LYS 29 1HE LYS 29 -3.853 -9.423 -7.125 223 HZ1 LYS 29 3HZ LYS 29 -5.529 -10.467 -8.311 224 HZ2 LYS 29 1HZ LYS 29 -6.260 -10.194 -6.807 225 HZ3 LYS 29 2HZ LYS 29 -5.689 -11.739 -7.202 226 H SER 30 HN SER 30 -1.209 -14.732 -3.621 227 HA SER 30 HA SER 30 -1.167 -14.529 -1.368 228 HG SER 30 HG SER 30 1.543 -14.445 -2.731 229 HB2 SER 30 2HB SER 30 0.930 -12.431 -1.969 230 HB3 SER 30 1HB SER 30 0.634 -13.140 -0.380 231 H GLU 31 HN GLU 31 -2.957 -12.832 -3.002 232 HA GLU 31 HA GLU 31 -3.393 -10.351 -1.741 233 HB2 GLU 31 2HB GLU 31 -4.289 -11.075 -3.960 234 HB3 GLU 31 1HB GLU 31 -5.408 -12.132 -3.119 235 HG2 GLU 31 2HG GLU 31 -6.654 -10.354 -2.284 236 HG3 GLU 31 1HG GLU 31 -5.359 -9.189 -2.582 237 H ARG 32 HN ARG 32 -5.259 -13.378 -1.409 238 HA ARG 32 HA ARG 32 -6.011 -14.512 0.397 239 HE ARG 32 HE ARG 32 -4.826 -15.506 5.265 240 HB2 ARG 32 2HB ARG 32 -3.710 -14.341 1.152 241 HB3 ARG 32 1HB ARG 32 -4.034 -12.769 1.866 242 HG2 ARG 32 2HG ARG 32 -5.632 -13.860 3.414 243 HG3 ARG 32 1HG ARG 32 -5.151 -15.420 2.742 244 HD2 ARG 32 2HD ARG 32 -2.867 -15.055 3.439 245 HD3 ARG 32 1HD ARG 32 -3.268 -13.441 4.019 246 HH11 ARG 32 1HH1 ARG 32 -1.737 -13.847 5.327 247 HH12 ARG 32 2HH1 ARG 32 -1.485 -14.123 7.029 248 HH21 ARG 32 1HH2 ARG 32 -4.465 -15.876 7.517 249 HH22 ARG 32 2HH2 ARG 32 -3.025 -15.244 8.258 250 H TRP 33 HN TRP 33 -5.476 -11.544 2.283 251 HA TRP 33 HA TRP 33 -8.355 -11.607 2.891 252 HD1 TRP 33 1HD TRP 33 -7.644 -8.671 5.801 253 HE1 TRP 33 1HE TRP 33 -9.753 -8.767 7.289 254 HE3 TRP 33 3HE TRP 33 -8.947 -13.530 4.993 255 HZ2 TRP 33 2HZ TRP 33 -11.707 -10.669 8.002 256 HZ3 TRP 33 3HZ TRP 33 -10.951 -14.419 6.110 257 HH2 TRP 33 2HH TRP 33 -12.300 -13.015 7.585 258 HB2 TRP 33 2HB TRP 33 -6.674 -12.112 4.722 259 HB3 TRP 33 1HB TRP 33 -6.181 -10.424 4.612 260 H PHE 34 HN PHE 34 -6.250 -9.965 1.043 261 HA PHE 34 HA PHE 34 -7.296 -7.311 1.550 262 HD1 PHE 34 1HD PHE 34 -5.562 -5.982 2.183 263 HD2 PHE 34 2HD PHE 34 -3.403 -8.841 -0.114 264 HE1 PHE 34 1HE PHE 34 -3.611 -5.687 3.649 265 HE2 PHE 34 2HE PHE 34 -1.450 -8.548 1.352 266 HZ PHE 34 HZ PHE 34 -1.554 -6.971 3.235 267 HB2 PHE 34 2HB PHE 34 -5.561 -8.361 -0.701 268 HB3 PHE 34 1HB PHE 34 -5.989 -6.669 -0.468 269 H ARG 35 HN ARG 35 -8.067 -6.156 -0.614 270 HA ARG 35 HA ARG 35 -10.360 -7.729 -1.532 271 HE ARG 35 HE ARG 35 -14.391 -5.532 -2.613 272 HB2 ARG 35 2HB ARG 35 -10.576 -5.371 -0.541 273 HB3 ARG 35 1HB ARG 35 -9.814 -4.790 -2.012 274 HG2 ARG 35 2HG ARG 35 -12.158 -4.511 -2.241 275 HG3 ARG 35 1HG ARG 35 -11.670 -5.833 -3.304 276 HD2 ARG 35 2HD ARG 35 -12.413 -7.453 -1.633 277 HD3 ARG 35 1HD ARG 35 -12.884 -6.139 -0.558 278 HH11 ARG 35 1HH1 ARG 35 -13.701 -8.723 -1.336 279 HH12 ARG 35 2HH1 ARG 35 -15.233 -9.384 -1.824 280 HH21 ARG 35 1HH2 ARG 35 -16.410 -6.397 -3.219 281 HH22 ARG 35 2HH2 ARG 35 -16.768 -8.066 -2.887 282 HA PRO 36 HA PRO 36 -8.576 -8.626 -5.514 283 HB2 PRO 36 2HB PRO 36 -10.866 -7.903 -7.010 284 HB3 PRO 36 1HB PRO 36 -10.423 -9.518 -6.452 285 HG2 PRO 36 2HG PRO 36 -12.311 -7.556 -5.259 286 HG3 PRO 36 1HG PRO 36 -12.370 -9.327 -5.251 287 HD2 PRO 36 2HD PRO 36 -11.680 -7.957 -3.064 288 HD3 PRO 36 1HD PRO 36 -10.882 -9.491 -3.472 289 H ASN 37 HN ASN 37 -7.068 -7.181 -5.971 290 HA ASN 37 HA ASN 37 -6.046 -5.567 -7.191 291 HB2 ASN 37 2HB ASN 37 -8.834 -4.806 -8.066 292 HB3 ASN 37 1HB ASN 37 -7.369 -4.038 -8.667 293 HD21 ASN 37 1HD2 ASN 37 -5.960 -5.217 -9.985 294 HD22 ASN 37 2HD2 ASN 37 -6.474 -6.652 -10.808 295 H LEU 38 HN LEU 38 -8.285 -4.953 -4.747 296 HA LEU 38 HA LEU 38 -7.181 -2.259 -4.346 297 HG LEU 38 HG LEU 38 -9.720 -1.798 -5.308 298 HB2 LEU 38 2HB LEU 38 -9.746 -3.520 -3.549 299 HB3 LEU 38 1HB LEU 38 -9.034 -2.371 -2.432 300 HD11 LEU 38 1HD1 LEU 38 -11.704 -2.091 -3.918 301 HD12 LEU 38 2HD1 LEU 38 -11.494 -0.397 -4.365 302 HD13 LEU 38 3HD1 LEU 38 -11.059 -0.943 -2.745 303 HD21 LEU 38 3HD2 LEU 38 -7.807 -0.505 -4.520 304 HD22 LEU 38 1HD2 LEU 38 -8.732 0.015 -3.111 305 HD23 LEU 38 2HD2 LEU 38 -9.225 0.524 -4.725 306 H GLN 39 HN GLN 39 -5.347 -2.463 -3.295 307 HA GLN 39 HA GLN 39 -5.013 -4.529 -1.285 308 HB2 GLN 39 2HB GLN 39 -3.023 -2.376 -1.974 309 HB3 GLN 39 1HB GLN 39 -2.714 -3.936 -1.229 310 HG2 GLN 39 2HG GLN 39 -3.556 -3.464 -4.081 311 HG3 GLN 39 1HG GLN 39 -1.934 -3.857 -3.533 312 HE21 GLN 39 1HE2 GLN 39 -5.118 -5.289 -2.741 313 HE22 GLN 39 2HE2 GLN 39 -4.687 -6.883 -3.220 314 H LYS 40 HN LYS 40 -5.932 -4.169 0.594 315 HA LYS 40 HA LYS 40 -6.346 -1.574 1.686 316 HB2 LYS 40 2HB LYS 40 -6.454 -4.279 3.045 317 HB3 LYS 40 1HB LYS 40 -7.065 -2.774 3.719 318 HG2 LYS 40 2HG LYS 40 -8.714 -2.634 1.918 319 HG3 LYS 40 1HG LYS 40 -8.096 -4.140 1.238 320 HD2 LYS 40 2HD LYS 40 -9.304 -3.830 3.988 321 HD3 LYS 40 1HD LYS 40 -10.136 -4.486 2.577 322 HE2 LYS 40 2HE LYS 40 -8.450 -6.276 2.450 323 HE3 LYS 40 1HE LYS 40 -7.675 -5.633 3.896 324 HZ1 LYS 40 3HZ LYS 40 -9.678 -6.092 5.152 325 HZ2 LYS 40 1HZ LYS 40 -9.141 -7.505 4.381 326 HZ3 LYS 40 2HZ LYS 40 -10.463 -6.657 3.757 327 H VAL 41 HN VAL 41 -4.698 -0.358 2.367 328 HA VAL 41 HA VAL 41 -2.447 -1.717 3.686 329 HB VAL 41 HB VAL 41 -1.062 0.229 3.093 330 HG11 VAL 41 1HG1 VAL 41 -1.067 -1.698 1.619 331 HG12 VAL 41 2HG1 VAL 41 -0.891 -0.211 0.687 332 HG13 VAL 41 3HG1 VAL 41 -2.447 -1.042 0.737 333 HG21 VAL 41 3HG2 VAL 41 -1.869 1.891 1.496 334 HG22 VAL 41 1HG2 VAL 41 -2.807 1.928 2.991 335 HG23 VAL 41 2HG2 VAL 41 -3.475 1.164 1.548 336 H ARG 42 HN ARG 42 -1.616 -0.873 5.588 337 HA ARG 42 HA ARG 42 -3.546 0.584 7.164 338 HE ARG 42 HE ARG 42 2.032 -1.275 8.232 339 HB2 ARG 42 2HB ARG 42 -2.027 0.129 9.054 340 HB3 ARG 42 1HB ARG 42 -2.429 -1.337 8.173 341 HG2 ARG 42 2HG ARG 42 -0.294 -1.326 7.077 342 HG3 ARG 42 1HG ARG 42 0.116 0.224 7.813 343 HD2 ARG 42 2HD ARG 42 -0.124 -0.882 10.044 344 HD3 ARG 42 1HD ARG 42 -0.287 -2.418 9.194 345 HH11 ARG 42 1HH1 ARG 42 0.806 -2.347 11.336 346 HH12 ARG 42 2HH1 ARG 42 2.386 -2.703 11.980 347 HH21 ARG 42 1HH2 ARG 42 4.108 -1.721 9.079 348 HH22 ARG 42 2HH2 ARG 42 4.267 -2.303 10.712 349 H VAL 43 HN VAL 43 -3.563 2.699 7.299 350 HA VAL 43 HA VAL 43 -1.022 4.144 6.947 351 HB VAL 43 HB VAL 43 -2.311 6.088 6.195 352 HG11 VAL 43 1HG1 VAL 43 -2.916 3.576 4.642 353 HG12 VAL 43 2HG1 VAL 43 -1.465 4.568 4.510 354 HG13 VAL 43 3HG1 VAL 43 -3.025 5.218 4.011 355 HG21 VAL 43 3HG2 VAL 43 -4.690 5.895 5.663 356 HG22 VAL 43 1HG2 VAL 43 -4.396 5.656 7.386 357 HG23 VAL 43 2HG2 VAL 43 -4.712 4.267 6.345 358 H VAL 44 HN VAL 44 -0.515 5.761 8.412 359 HA VAL 44 HA VAL 44 -2.017 5.635 10.905 360 HB VAL 44 HB VAL 44 0.430 5.496 11.028 361 HG11 VAL 44 1HG1 VAL 44 1.044 6.946 9.171 362 HG12 VAL 44 2HG1 VAL 44 1.839 7.452 10.663 363 HG13 VAL 44 3HG1 VAL 44 0.446 8.352 10.057 364 HG21 VAL 44 3HG2 VAL 44 -0.796 6.301 12.948 365 HG22 VAL 44 1HG2 VAL 44 -0.721 7.953 12.338 366 HG23 VAL 44 2HG2 VAL 44 0.758 7.126 12.831 367 H LEU 45 HN LEU 45 -3.667 6.906 11.211 368 HA LEU 45 HA LEU 45 -4.141 9.232 9.607 369 HG LEU 45 HG LEU 45 -5.791 6.646 10.078 370 HB2 LEU 45 2HB LEU 45 -5.582 8.132 12.020 371 HB3 LEU 45 1HB LEU 45 -6.154 9.475 11.060 372 HD11 LEU 45 1HD1 LEU 45 -8.230 6.609 9.960 373 HD12 LEU 45 2HD1 LEU 45 -8.291 8.221 10.672 374 HD13 LEU 45 3HD1 LEU 45 -7.667 6.865 11.611 375 HD21 LEU 45 3HD2 LEU 45 -6.939 7.448 8.057 376 HD22 LEU 45 1HD2 LEU 45 -5.385 8.246 8.304 377 HD23 LEU 45 2HD2 LEU 45 -6.883 9.093 8.693 378 HA PRO 46 HA PRO 46 -2.227 12.331 12.155 379 HB2 PRO 46 2HB PRO 46 -4.020 14.384 11.768 380 HB3 PRO 46 1HB PRO 46 -2.739 13.950 10.630 381 HG2 PRO 46 2HG PRO 46 -5.645 13.246 10.582 382 HG3 PRO 46 1HG PRO 46 -4.576 13.699 9.241 383 HD2 PRO 46 2HD PRO 46 -5.281 11.141 9.715 384 HD3 PRO 46 1HD PRO 46 -3.682 11.573 9.073 385 H ASP 47 HN ASP 47 -5.445 11.233 12.594 386 HA ASP 47 HA ASP 47 -6.014 12.509 15.079 387 HB2 ASP 47 2HB ASP 47 -7.126 10.039 13.735 388 HB3 ASP 47 1HB ASP 47 -7.712 10.623 15.286 389 H GLY 48 HN GLY 48 -4.052 9.873 14.134 390 HA2 GLY 48 2HA GLY 48 -2.463 8.898 15.636 391 HA3 GLY 48 1HA GLY 48 -3.595 9.165 16.956 392 H THR 49 HN THR 49 -5.366 8.115 14.423 393 HA THR 49 HA THR 49 -5.576 5.450 15.544 394 HB THR 49 HB THR 49 -7.236 6.465 13.266 395 HG1 THR 49 1HG THR 49 -8.402 6.956 15.670 396 HG21 THR 49 3HG2 THR 49 -7.510 4.136 14.026 397 HG22 THR 49 1HG2 THR 49 -8.971 5.094 14.275 398 HG23 THR 49 2HG2 THR 49 -7.914 4.729 15.638 399 H ILE 50 HN ILE 50 -5.549 3.588 14.224 400 HA ILE 50 HA ILE 50 -3.964 3.850 11.757 401 HB ILE 50 HB ILE 50 -4.381 1.393 13.481 402 HG12 ILE 50 2HG1 ILE 50 -1.940 3.149 13.115 403 HG13 ILE 50 1HG1 ILE 50 -2.957 3.099 14.552 404 HG21 ILE 50 1HG2 ILE 50 -2.662 0.363 12.053 405 HG22 ILE 50 2HG2 ILE 50 -2.616 1.822 11.066 406 HG23 ILE 50 3HG2 ILE 50 -4.079 0.843 11.116 407 HD11 ILE 50 3HD1 ILE 50 -1.289 0.834 13.478 408 HD12 ILE 50 1HD1 ILE 50 -2.326 0.757 14.901 409 HD13 ILE 50 2HD1 ILE 50 -0.921 1.827 14.889 410 H LYS 51 HN LYS 51 -4.926 3.392 9.864 411 HA LYS 51 HA LYS 51 -7.459 1.896 9.937 412 HB2 LYS 51 2HB LYS 51 -7.941 4.308 9.853 413 HB3 LYS 51 1HB LYS 51 -6.965 4.453 8.399 414 HG2 LYS 51 2HG LYS 51 -8.531 2.903 7.261 415 HG3 LYS 51 1HG LYS 51 -9.531 2.912 8.713 416 HD2 LYS 51 2HD LYS 51 -9.691 5.401 8.482 417 HD3 LYS 51 1HD LYS 51 -8.874 5.251 6.927 418 HE2 LYS 51 2HE LYS 51 -11.249 5.375 6.565 419 HE3 LYS 51 1HE LYS 51 -10.690 3.751 6.166 420 HZ1 LYS 51 3HZ LYS 51 -11.975 4.534 8.731 421 HZ2 LYS 51 1HZ LYS 51 -11.500 2.966 8.289 422 HZ3 LYS 51 2HZ LYS 51 -12.757 3.738 7.451 423 H ARG 52 HN ARG 52 -7.693 0.437 8.371 424 HA ARG 52 HA ARG 52 -5.649 0.231 6.308 425 HE ARG 52 HE ARG 52 -4.586 -4.467 8.349 426 HB2 ARG 52 2HB ARG 52 -7.978 -1.563 7.002 427 HB3 ARG 52 1HB ARG 52 -6.900 -1.847 5.645 428 HG2 ARG 52 2HG ARG 52 -5.011 -2.002 7.243 429 HG3 ARG 52 1HG ARG 52 -6.180 -1.874 8.566 430 HD2 ARG 52 2HD ARG 52 -7.372 -3.829 7.595 431 HD3 ARG 52 1HD ARG 52 -6.053 -4.008 6.447 432 HH11 ARG 52 1HH1 ARG 52 -8.037 -4.616 8.896 433 HH12 ARG 52 2HH1 ARG 52 -7.927 -5.777 10.190 434 HH21 ARG 52 1HH2 ARG 52 -4.421 -6.034 10.033 435 HH22 ARG 52 2HH2 ARG 52 -5.868 -6.602 10.813 436 H MET 53 HN MET 53 -5.915 1.231 4.459 437 HA MET 53 HA MET 53 -8.658 1.914 3.625 438 HB2 MET 53 2HB MET 53 -6.088 3.308 2.861 439 HB3 MET 53 1HB MET 53 -7.707 3.781 2.372 440 HG2 MET 53 2HG MET 53 -8.270 4.164 4.749 441 HG3 MET 53 1HG MET 53 -6.593 3.815 5.166 442 HE1 MET 53 3HE MET 53 -9.105 6.269 3.520 443 HE2 MET 53 1HE MET 53 -8.135 5.842 2.112 444 HE3 MET 53 2HE MET 53 -8.061 7.477 2.770 445 H ARG 54 HN ARG 54 -9.308 1.524 1.561 446 HA ARG 54 HA ARG 54 -7.891 -0.580 0.189 447 HE ARG 54 HE ARG 54 -13.210 -2.356 1.288 448 HB2 ARG 54 2HB ARG 54 -10.432 0.898 -0.508 449 HB3 ARG 54 1HB ARG 54 -9.839 -0.537 -1.336 450 HG2 ARG 54 2HG ARG 54 -10.358 -1.928 0.416 451 HG3 ARG 54 1HG ARG 54 -10.260 -0.637 1.612 452 HD2 ARG 54 2HD ARG 54 -12.340 0.323 0.692 453 HD3 ARG 54 1HD ARG 54 -12.446 -1.038 -0.425 454 HH11 ARG 54 1HH1 ARG 54 -11.858 0.596 2.665 455 HH12 ARG 54 2HH1 ARG 54 -12.431 0.234 4.274 456 HH21 ARG 54 1HH2 ARG 54 -13.956 -2.801 3.380 457 HH22 ARG 54 2HH2 ARG 54 -13.632 -1.683 4.676 458 H VAL 55 HN VAL 55 -6.084 0.094 -0.783 459 HA VAL 55 HA VAL 55 -6.243 2.488 -2.494 460 HB VAL 55 HB VAL 55 -3.795 1.244 -1.224 461 HG11 VAL 55 1HG1 VAL 55 -3.273 2.357 -3.328 462 HG12 VAL 55 2HG1 VAL 55 -2.636 3.273 -1.963 463 HG13 VAL 55 3HG1 VAL 55 -4.105 3.813 -2.777 464 HG21 VAL 55 3HG2 VAL 55 -5.225 2.274 0.454 465 HG22 VAL 55 1HG2 VAL 55 -5.311 3.753 -0.503 466 HG23 VAL 55 2HG2 VAL 55 -3.777 3.250 0.203 467 H CYS 56 HN CYS 56 -5.632 2.367 -4.612 468 HA CYS 56 HA CYS 56 -5.365 -0.307 -5.710 469 HG CYS 56 HG CYS 56 -6.557 3.500 -8.127 470 HB2 CYS 56 2HB CYS 56 -5.652 0.845 -7.899 471 HB3 CYS 56 1HB CYS 56 -6.974 1.139 -6.776 472 H THR 57 HN THR 57 -3.798 -0.635 -7.525 473 HA THR 57 HA THR 57 -1.196 -0.395 -6.573 474 HB THR 57 HB THR 57 -0.614 -1.094 -8.977 475 HG1 THR 57 1HG THR 57 -2.204 -0.908 -10.352 476 HG21 THR 57 3HG2 THR 57 -0.801 -2.699 -7.152 477 HG22 THR 57 1HG2 THR 57 -1.495 -3.368 -8.628 478 HG23 THR 57 2HG2 THR 57 -2.552 -2.749 -7.358 479 H SER 58 HN SER 58 -3.019 1.662 -8.746 480 HA SER 58 HA SER 58 -0.933 3.161 -9.830 481 HG SER 58 HG SER 58 -3.834 3.480 -11.492 482 HB2 SER 58 2HB SER 58 -3.653 4.239 -9.069 483 HB3 SER 58 1HB SER 58 -2.601 4.793 -10.373 484 H CYS 59 HN CYS 59 -2.890 3.778 -6.922 485 HA CYS 59 HA CYS 59 -1.404 6.067 -6.132 486 HG CYS 59 HG CYS 59 -3.829 6.935 -6.649 487 HB2 CYS 59 2HB CYS 59 -3.312 4.307 -4.581 488 HB3 CYS 59 1HB CYS 59 -2.737 5.883 -4.064 489 H LEU 60 HN LEU 60 -1.279 2.634 -5.364 490 HA LEU 60 HA LEU 60 0.457 2.641 -3.202 491 HG LEU 60 HG LEU 60 -1.768 0.733 -4.075 492 HB2 LEU 60 2HB LEU 60 0.238 0.706 -5.502 493 HB3 LEU 60 1HB LEU 60 1.237 0.410 -4.097 494 HD11 LEU 60 1HD1 LEU 60 -0.028 -1.698 -3.695 495 HD12 LEU 60 2HD1 LEU 60 -1.039 -1.359 -5.100 496 HD13 LEU 60 3HD1 LEU 60 -1.780 -1.645 -3.525 497 HD21 LEU 60 3HD2 LEU 60 -1.613 0.038 -1.740 498 HD22 LEU 60 1HD2 LEU 60 -0.732 1.543 -2.014 499 HD23 LEU 60 2HD2 LEU 60 0.146 0.022 -1.859 500 H LYS 61 HN LYS 61 1.207 2.794 -6.658 501 HA LYS 61 HA LYS 61 4.040 2.844 -6.233 502 HB2 LYS 61 2HB LYS 61 2.361 3.453 -8.668 503 HB3 LYS 61 1HB LYS 61 4.119 3.441 -8.668 504 HG2 LYS 61 2HG LYS 61 4.111 1.086 -8.032 505 HG3 LYS 61 1HG LYS 61 2.346 1.095 -8.018 506 HD2 LYS 61 2HD LYS 61 2.297 1.605 -10.386 507 HD3 LYS 61 1HD LYS 61 4.057 1.724 -10.423 508 HE2 LYS 61 2HE LYS 61 2.475 -0.757 -9.762 509 HE3 LYS 61 1HE LYS 61 3.260 -0.421 -11.304 510 HZ1 LYS 61 3HZ LYS 61 5.398 -0.341 -10.115 511 HZ2 LYS 61 1HZ LYS 61 4.638 -1.852 -9.984 512 HZ3 LYS 61 2HZ LYS 61 4.605 -0.778 -8.680 513 H SER 62 HN SER 62 1.533 5.237 -6.404 514 HA SER 62 HA SER 62 3.261 7.442 -7.000 515 HG SER 62 HG SER 62 1.027 6.520 -8.060 516 HB2 SER 62 2HB SER 62 0.486 7.463 -5.800 517 HB3 SER 62 1HB SER 62 1.318 8.840 -6.524 518 H GLY 63 HN GLY 63 2.089 5.886 -4.089 519 HA2 GLY 63 2HA GLY 63 2.823 6.048 -1.915 520 HA3 GLY 63 1HA GLY 63 4.175 6.993 -2.513 521 H LYS 64 HN LYS 64 0.814 7.874 -2.980 522 HA LYS 64 HA LYS 64 1.330 10.428 -1.708 523 HB2 LYS 64 2HB LYS 64 0.062 10.052 -3.909 524 HB3 LYS 64 1HB LYS 64 -1.276 9.499 -2.913 525 HG2 LYS 64 2HG LYS 64 -1.242 11.699 -1.754 526 HG3 LYS 64 1HG LYS 64 -0.027 12.236 -2.916 527 HD2 LYS 64 2HD LYS 64 -1.646 11.667 -4.738 528 HD3 LYS 64 1HD LYS 64 -2.854 11.360 -3.489 529 HE2 LYS 64 2HE LYS 64 -3.228 13.568 -4.251 530 HE3 LYS 64 1HE LYS 64 -2.442 13.712 -2.678 531 HZ1 LYS 64 3HZ LYS 64 -1.538 15.240 -4.360 532 HZ2 LYS 64 1HZ LYS 64 -1.046 13.910 -5.296 533 HZ3 LYS 64 2HZ LYS 64 -0.361 14.175 -3.765 534 H VAL 65 HN VAL 65 0.466 7.490 -0.580 535 HA VAL 65 HA VAL 65 -1.711 8.301 1.153 536 HB VAL 65 HB VAL 65 -1.684 5.960 1.944 537 HG11 VAL 65 1HG1 VAL 65 -3.042 6.555 0.013 538 HG12 VAL 65 2HG1 VAL 65 -2.406 4.920 -0.159 539 HG13 VAL 65 3HG1 VAL 65 -1.677 6.249 -1.061 540 HG21 VAL 65 3HG2 VAL 65 -0.256 4.308 0.827 541 HG22 VAL 65 1HG2 VAL 65 0.696 5.494 1.728 542 HG23 VAL 65 2HG2 VAL 65 0.570 5.613 -0.030 543 H LYS 66 HN LYS 66 -1.580 7.988 3.484 544 HA LYS 66 HA LYS 66 0.661 9.350 4.542 545 HB2 LYS 66 2HB LYS 66 -1.598 7.903 5.921 546 HB3 LYS 66 1HB LYS 66 -0.420 8.907 6.749 547 HG2 LYS 66 2HG LYS 66 -2.054 10.019 4.507 548 HG3 LYS 66 1HG LYS 66 -2.717 9.897 6.137 549 HD2 LYS 66 2HD LYS 66 -1.827 12.089 5.914 550 HD3 LYS 66 1HD LYS 66 -0.716 11.187 6.939 551 HE2 LYS 66 2HE LYS 66 0.517 12.538 5.352 552 HE3 LYS 66 1HE LYS 66 0.756 10.827 5.010 553 HZ1 LYS 66 3HZ LYS 66 -1.265 12.461 3.584 554 HZ2 LYS 66 1HZ LYS 66 -0.650 10.946 3.147 555 HZ3 LYS 66 2HZ LYS 66 0.336 12.322 3.043 556 H LYS 67 HN LYS 67 -0.303 5.979 4.546 557 HA LYS 67 HA LYS 67 0.757 4.047 5.075 558 HB2 LYS 67 2HB LYS 67 3.223 5.770 4.792 559 HB3 LYS 67 1HB LYS 67 3.265 4.025 4.976 560 HG2 LYS 67 2HG LYS 67 1.980 3.819 2.878 561 HG3 LYS 67 1HG LYS 67 2.076 5.573 2.689 562 HD2 LYS 67 2HD LYS 67 4.554 5.386 2.754 563 HD3 LYS 67 1HD LYS 67 4.381 3.629 2.782 564 HE2 LYS 67 2HE LYS 67 3.133 3.779 0.638 565 HE3 LYS 67 1HE LYS 67 3.483 5.507 0.599 566 HZ1 LYS 67 3HZ LYS 67 5.881 4.906 0.661 567 HZ2 LYS 67 1HZ LYS 67 5.075 4.381 -0.741 568 HZ3 LYS 67 2HZ LYS 67 5.440 3.278 0.493 569 H TYR 68 HN TYR 68 2.773 3.267 6.607 570 HA TYR 68 HA TYR 68 2.287 4.562 9.199 571 HD1 TYR 68 1HD TYR 68 0.545 3.089 11.040 572 HD2 TYR 68 2HD TYR 68 4.490 1.525 10.732 573 HE1 TYR 68 1HE TYR 68 0.667 2.925 13.488 574 HE2 TYR 68 2HE TYR 68 4.620 1.357 13.181 575 HH TYR 68 HH TYR 68 2.012 1.466 15.170 576 HB2 TYR 68 2HB TYR 68 1.412 2.192 8.916 577 HB3 TYR 68 1HB TYR 68 3.088 1.671 8.783 578 H VAL 69 HN VAL 69 4.038 5.972 8.328 579 HA VAL 69 HA VAL 69 6.697 4.777 8.704 580 HB VAL 69 HB VAL 69 5.990 7.458 7.491 581 HG11 VAL 69 1HG1 VAL 69 8.204 7.433 8.498 582 HG12 VAL 69 2HG1 VAL 69 8.317 7.494 6.739 583 HG13 VAL 69 3HG1 VAL 69 8.615 5.977 7.590 584 HG21 VAL 69 3HG2 VAL 69 5.202 5.657 6.066 585 HG22 VAL 69 1HG2 VAL 69 6.778 4.872 6.149 586 HG23 VAL 69 2HG2 VAL 69 6.613 6.429 5.337 587 H GLY 70 HN GLY 70 4.698 7.567 9.581 588 HA2 GLY 70 2HA GLY 70 4.478 8.578 11.652 589 HA3 GLY 70 1HA GLY 70 5.689 7.477 12.283 590 H GLN 71 HN GLN 71 7.951 7.931 11.648 591 HA GLN 71 HA GLN 71 8.486 10.690 12.258 592 HB2 GLN 71 2HB GLN 71 10.367 8.372 11.765 593 HB3 GLN 71 1HB GLN 71 10.860 9.968 12.312 594 HG2 GLN 71 2HG GLN 71 9.496 9.676 14.331 595 HG3 GLN 71 1HG GLN 71 9.071 8.055 13.790 596 HE21 GLN 71 1HE2 GLN 71 11.725 7.537 12.693 597 HE22 GLN 71 2HE2 GLN 71 12.755 7.269 14.058 598 H VAL 72 HN VAL 72 8.747 12.229 10.797 599 HA VAL 72 HA VAL 72 9.066 11.826 8.027 600 HB VAL 72 HB VAL 72 9.890 14.276 9.605 601 HG11 VAL 72 1HG1 VAL 72 9.487 15.483 7.516 602 HG12 VAL 72 2HG1 VAL 72 9.122 13.959 6.706 603 HG13 VAL 72 3HG1 VAL 72 10.746 14.261 7.324 604 HG21 VAL 72 3HG2 VAL 72 7.588 13.679 10.111 605 HG22 VAL 72 1HG2 VAL 72 7.216 13.592 8.390 606 HG23 VAL 72 2HG2 VAL 72 7.649 15.135 9.122 607 H SER 73 HN SER 73 10.768 10.758 7.223 608 HA SER 73 HA SER 73 13.425 11.280 8.383 609 HG SER 73 HG SER 73 11.456 9.400 9.138 610 HB2 SER 73 2HB SER 73 12.533 8.710 7.054 611 HB3 SER 73 1HB SER 73 14.000 8.983 7.997 612 H GLU 74 HN GLU 74 15.219 11.279 6.937 613 HA GLU 74 HA GLU 74 14.535 12.152 4.263 614 HB2 GLU 74 2HB GLU 74 17.185 11.949 5.706 615 HB3 GLU 74 1HB GLU 74 17.016 12.530 4.053 616 HG2 GLU 74 2HG GLU 74 15.536 14.329 4.871 617 HG3 GLU 74 1HG GLU 74 15.809 13.768 6.520 618 H VAL 75 HN VAL 75 13.733 10.298 3.328 619 HA VAL 75 HA VAL 75 15.599 8.605 2.031 620 HB VAL 75 HB VAL 75 15.667 7.498 4.228 621 HG11 VAL 75 1HG1 VAL 75 12.700 7.128 3.861 622 HG12 VAL 75 2HG1 VAL 75 13.493 8.123 5.083 623 HG13 VAL 75 3HG1 VAL 75 13.675 6.368 5.119 624 HG21 VAL 75 3HG2 VAL 75 14.201 5.886 2.144 625 HG22 VAL 75 1HG2 VAL 75 15.107 5.223 3.502 626 HG23 VAL 75 2HG2 VAL 75 15.945 6.126 2.240 627 H GLY 76 HN GLY 76 14.620 7.466 0.316 628 HA2 GLY 76 2HA GLY 76 12.513 6.356 -0.419 629 HA3 GLY 76 1HA GLY 76 11.687 7.809 0.114 630 H SER 77 HN SER 77 14.726 7.615 -1.684 631 HA SER 77 HA SER 77 13.394 9.041 -3.891 632 HG SER 77 HG SER 77 14.192 10.636 -2.408 633 HB2 SER 77 2HB SER 77 16.335 9.025 -3.157 634 HB3 SER 77 1HB SER 77 15.581 9.986 -4.431 Start of MODEL 15 1 HA GLN 1 HA GLN 1 -18.218 7.133 5.329 2 H1 GLN 1 1HT GLN 1 -17.543 4.266 5.590 3 H2 GLN 1 2HT GLN 1 -17.718 5.396 6.843 4 H3 GLN 1 3HT GLN 1 -16.434 5.538 5.745 5 HB2 GLN 1 2HB GLN 1 -16.715 6.238 3.524 6 HB3 GLN 1 1HB GLN 1 -17.961 5.061 3.137 7 HG2 GLN 1 2HG GLN 1 -18.844 7.865 3.193 8 HG3 GLN 1 1HG GLN 1 -17.693 7.452 1.923 9 HE21 GLN 1 1HE2 GLN 1 -19.247 7.804 0.332 10 HE22 GLN 1 2HE2 GLN 1 -20.534 6.687 0.046 11 H GLY 2 HN GLY 2 -19.191 3.735 5.074 12 HA2 GLY 2 2HA GLY 2 -21.472 3.416 6.159 13 HA3 GLY 2 1HA GLY 2 -22.010 4.615 4.989 14 H HIS 3 HN HIS 3 -21.117 4.000 2.661 15 HA HIS 3 HA HIS 3 -22.213 1.364 2.121 16 HD1 HIS 3 1HD HIS 3 -24.008 1.883 -1.214 17 HD2 HIS 3 2HD HIS 3 -23.898 4.364 2.128 18 HE1 HIS 3 1HE HIS 3 -26.374 2.657 -0.862 19 HE2 HIS 3 2HE HIS 3 -26.304 4.113 1.195 20 HB2 HIS 3 2HB HIS 3 -21.452 3.697 0.381 21 HB3 HIS 3 1HB HIS 3 -21.724 2.107 -0.323 22 H MET 4 HN MET 4 -20.582 0.122 3.068 23 HA MET 4 HA MET 4 -17.944 0.115 1.894 24 HB2 MET 4 2HB MET 4 -17.613 -1.921 3.317 25 HB3 MET 4 1HB MET 4 -18.070 -0.478 4.212 26 HG2 MET 4 2HG MET 4 -20.401 -1.302 4.250 27 HG3 MET 4 1HG MET 4 -19.853 -2.785 3.471 28 HE1 MET 4 3HE MET 4 -21.052 -4.075 5.511 29 HE2 MET 4 1HE MET 4 -21.468 -2.543 6.274 30 HE3 MET 4 2HE MET 4 -20.650 -3.797 7.206 31 H ILE 5 HN ILE 5 -20.992 -1.376 1.358 32 HA ILE 5 HA ILE 5 -19.894 -3.261 -0.554 33 HB ILE 5 HB ILE 5 -22.486 -3.464 -1.102 34 HG12 ILE 5 2HG1 ILE 5 -23.767 -3.307 1.080 35 HG13 ILE 5 1HG1 ILE 5 -22.437 -2.349 1.714 36 HG21 ILE 5 1HG2 ILE 5 -21.158 -4.656 1.321 37 HG22 ILE 5 2HG2 ILE 5 -21.068 -5.261 -0.334 38 HG23 ILE 5 3HG2 ILE 5 -22.605 -5.287 0.532 39 HD11 ILE 5 3HD1 ILE 5 -24.206 -1.639 -0.613 40 HD12 ILE 5 1HD1 ILE 5 -22.847 -0.674 -0.034 41 HD13 ILE 5 2HD1 ILE 5 -24.253 -0.931 1.001 42 H MET 6 HN MET 6 -20.170 -3.097 -2.798 43 HA MET 6 HA MET 6 -19.730 -1.911 -4.687 44 HB2 MET 6 2HB MET 6 -21.924 -0.149 -3.580 45 HB3 MET 6 1HB MET 6 -21.214 0.059 -5.174 46 HG2 MET 6 2HG MET 6 -21.959 -2.184 -5.795 47 HG3 MET 6 1HG MET 6 -22.695 -2.370 -4.203 48 HE1 MET 6 3HE MET 6 -25.778 -1.983 -6.613 49 HE2 MET 6 1HE MET 6 -25.019 -2.989 -5.379 50 HE3 MET 6 2HE MET 6 -24.254 -2.800 -6.954 51 H ALA 7 HN ALA 7 -19.606 0.824 -5.224 52 HA ALA 7 HA ALA 7 -18.207 2.609 -5.047 53 HB1 ALA 7 1HB ALA 7 -18.562 2.157 -2.087 54 HB2 ALA 7 2HB ALA 7 -19.665 3.063 -3.123 55 HB3 ALA 7 3HB ALA 7 -18.019 3.647 -2.862 56 H LYS 8 HN LYS 8 -17.012 -0.036 -5.208 57 HA LYS 8 HA LYS 8 -14.782 -0.175 -3.446 58 HB2 LYS 8 2HB LYS 8 -15.318 -1.591 -6.067 59 HB3 LYS 8 1HB LYS 8 -13.988 -1.969 -4.977 60 HG2 LYS 8 2HG LYS 8 -15.558 -2.575 -3.228 61 HG3 LYS 8 1HG LYS 8 -16.911 -2.143 -4.273 62 HD2 LYS 8 2HD LYS 8 -16.187 -3.893 -5.864 63 HD3 LYS 8 1HD LYS 8 -14.918 -4.359 -4.727 64 HE2 LYS 8 2HE LYS 8 -16.559 -4.930 -3.057 65 HE3 LYS 8 1HE LYS 8 -17.861 -4.336 -4.086 66 HZ1 LYS 8 3HZ LYS 8 -17.194 -6.077 -5.720 67 HZ2 LYS 8 1HZ LYS 8 -17.817 -6.684 -4.261 68 HZ3 LYS 8 2HZ LYS 8 -16.144 -6.711 -4.549 69 H ARG 9 HN ARG 9 -13.468 1.462 -3.457 70 HA ARG 9 HA ARG 9 -12.018 2.177 -5.883 71 HE ARG 9 HE ARG 9 -15.040 5.734 -5.447 72 HB2 ARG 9 2HB ARG 9 -12.312 4.596 -5.312 73 HB3 ARG 9 1HB ARG 9 -13.821 3.818 -5.783 74 HG2 ARG 9 2HG ARG 9 -14.632 3.795 -3.595 75 HG3 ARG 9 1HG ARG 9 -13.030 4.032 -2.898 76 HD2 ARG 9 2HD ARG 9 -14.286 6.058 -2.664 77 HD3 ARG 9 1HD ARG 9 -13.006 6.315 -3.845 78 HH11 ARG 9 1HH1 ARG 9 -14.932 7.785 -2.617 79 HH12 ARG 9 2HH1 ARG 9 -16.110 8.911 -3.225 80 HH21 ARG 9 1HH2 ARG 9 -16.591 7.223 -6.267 81 HH22 ARG 9 2HH2 ARG 9 -17.039 8.597 -5.299 82 H CYS 10 HN CYS 10 -10.117 3.630 -5.259 83 HA CYS 10 HA CYS 10 -8.879 2.927 -2.788 84 HG CYS 10 HG CYS 10 -5.745 5.570 -3.679 85 HB2 CYS 10 2HB CYS 10 -7.575 3.707 -4.754 86 HB3 CYS 10 1HB CYS 10 -8.328 5.289 -4.610 87 H GLU 11 HN GLU 11 -9.529 3.613 -0.868 88 HA GLU 11 HA GLU 11 -11.707 5.428 -0.670 89 HB2 GLU 11 2HB GLU 11 -10.009 4.233 1.527 90 HB3 GLU 11 1HB GLU 11 -11.578 5.003 1.744 91 HG2 GLU 11 2HG GLU 11 -12.563 3.288 0.243 92 HG3 GLU 11 1HG GLU 11 -10.999 2.478 0.215 93 H VAL 12 HN VAL 12 -8.473 6.005 -0.970 94 HA VAL 12 HA VAL 12 -8.414 8.420 0.640 95 HB VAL 12 HB VAL 12 -6.351 7.347 -1.295 96 HG11 VAL 12 1HG1 VAL 12 -6.116 9.741 -0.865 97 HG12 VAL 12 2HG1 VAL 12 -4.796 8.830 -0.129 98 HG13 VAL 12 3HG1 VAL 12 -6.116 9.439 0.872 99 HG21 VAL 12 3HG2 VAL 12 -5.181 6.547 0.720 100 HG22 VAL 12 1HG2 VAL 12 -6.746 5.766 0.497 101 HG23 VAL 12 2HG2 VAL 12 -6.562 7.041 1.701 102 H CYS 13 HN CYS 13 -8.002 7.639 -2.825 103 HA CYS 13 HA CYS 13 -8.408 10.480 -3.437 104 HG CYS 13 HG CYS 13 -5.566 10.610 -3.389 105 HB2 CYS 13 2HB CYS 13 -7.307 8.305 -5.224 106 HB3 CYS 13 1HB CYS 13 -7.287 10.039 -5.531 107 H GLY 14 HN GLY 14 -9.894 7.374 -3.851 108 HA2 GLY 14 2HA GLY 14 -12.090 7.025 -4.608 109 HA3 GLY 14 1HA GLY 14 -12.070 8.621 -5.339 110 H LYS 15 HN LYS 15 -9.417 6.486 -5.928 111 HA LYS 15 HA LYS 15 -10.177 6.383 -8.740 112 HB2 LYS 15 2HB LYS 15 -7.596 5.620 -7.361 113 HB3 LYS 15 1HB LYS 15 -7.859 5.610 -9.098 114 HG2 LYS 15 2HG LYS 15 -8.176 8.100 -7.451 115 HG3 LYS 15 1HG LYS 15 -6.625 7.598 -8.119 116 HD2 LYS 15 2HD LYS 15 -7.567 9.161 -9.644 117 HD3 LYS 15 1HD LYS 15 -7.720 7.568 -10.383 118 HE2 LYS 15 2HE LYS 15 -10.057 7.462 -9.660 119 HE3 LYS 15 1HE LYS 15 -9.899 9.051 -8.915 120 HZ1 LYS 15 3HZ LYS 15 -9.486 10.010 -11.069 121 HZ2 LYS 15 1HZ LYS 15 -10.944 9.148 -11.105 122 HZ3 LYS 15 2HZ LYS 15 -9.553 8.484 -11.808 123 H ALA 16 HN ALA 16 -10.161 4.432 -9.945 124 HA ALA 16 HA ALA 16 -11.269 2.214 -8.496 125 HB1 ALA 16 1HB ALA 16 -12.147 2.893 -10.686 126 HB2 ALA 16 2HB ALA 16 -11.606 1.214 -10.693 127 HB3 ALA 16 3HB ALA 16 -10.604 2.465 -11.426 128 HA PRO 17 HA PRO 17 -7.582 -0.234 -7.994 129 HB2 PRO 17 2HB PRO 17 -8.736 -2.706 -7.995 130 HB3 PRO 17 1HB PRO 17 -8.778 -1.610 -6.609 131 HG2 PRO 17 2HG PRO 17 -10.875 -2.123 -8.680 132 HG3 PRO 17 1HG PRO 17 -11.054 -1.937 -6.925 133 HD2 PRO 17 2HD PRO 17 -11.616 0.064 -8.645 134 HD3 PRO 17 1HD PRO 17 -10.942 0.367 -7.029 135 H ARG 18 HN ARG 18 -6.185 -1.551 -9.235 136 HA ARG 18 HA ARG 18 -7.086 -2.516 -11.799 137 HE ARG 18 HE ARG 18 -6.725 1.558 -12.861 138 HB2 ARG 18 2HB ARG 18 -5.313 -1.134 -13.005 139 HB3 ARG 18 1HB ARG 18 -6.787 -0.309 -12.523 140 HG2 ARG 18 2HG ARG 18 -5.636 0.634 -10.587 141 HG3 ARG 18 1HG ARG 18 -4.158 -0.213 -11.055 142 HD2 ARG 18 2HD ARG 18 -4.168 2.152 -11.746 143 HD3 ARG 18 1HD ARG 18 -4.038 1.040 -13.107 144 HH11 ARG 18 1HH1 ARG 18 -3.838 3.476 -13.326 145 HH12 ARG 18 2HH1 ARG 18 -4.645 4.702 -14.261 146 HH21 ARG 18 1HH2 ARG 18 -7.797 3.146 -14.104 147 HH22 ARG 18 2HH2 ARG 18 -6.896 4.482 -14.750 148 H SER 19 HN SER 19 -6.269 -4.453 -11.779 149 HA SER 19 HA SER 19 -4.765 -6.086 -12.155 150 HG SER 19 HG SER 19 -4.571 -3.972 -13.758 151 HB2 SER 19 2HB SER 19 -2.695 -3.887 -12.144 152 HB3 SER 19 1HB SER 19 -2.459 -5.531 -12.738 153 H GLY 20 HN GLY 20 -3.302 -3.805 -9.828 154 HA2 GLY 20 2HA GLY 20 -2.516 -4.185 -7.687 155 HA3 GLY 20 1HA GLY 20 -3.220 -5.795 -7.767 156 H ASN 21 HN ASN 21 -1.685 -7.236 -7.344 157 HA ASN 21 HA ASN 21 0.677 -7.277 -9.036 158 HB2 ASN 21 2HB ASN 21 1.355 -5.997 -7.007 159 HB3 ASN 21 1HB ASN 21 0.909 -7.382 -6.017 160 HD21 ASN 21 1HD2 ASN 21 3.008 -7.582 -5.222 161 HD22 ASN 21 2HD2 ASN 21 4.303 -8.204 -6.190 162 H THR 22 HN THR 22 0.531 -9.250 -9.911 163 HA THR 22 HA THR 22 -0.379 -11.447 -8.184 164 HB THR 22 HB THR 22 -1.126 -12.542 -10.355 165 HG1 THR 22 1HG THR 22 -1.447 -10.063 -11.533 166 HG21 THR 22 3HG2 THR 22 -3.244 -11.318 -10.419 167 HG22 THR 22 1HG2 THR 22 -2.508 -9.989 -9.521 168 HG23 THR 22 2HG2 THR 22 -2.709 -11.565 -8.757 169 H VAL 23 HN VAL 23 0.605 -13.434 -8.365 170 HA VAL 23 HA VAL 23 2.666 -13.978 -10.273 171 HB VAL 23 HB VAL 23 3.947 -12.587 -8.686 172 HG11 VAL 23 1HG1 VAL 23 2.648 -12.970 -6.665 173 HG12 VAL 23 2HG1 VAL 23 4.349 -13.346 -6.389 174 HG13 VAL 23 3HG1 VAL 23 3.185 -14.650 -6.620 175 HG21 VAL 23 3HG2 VAL 23 4.669 -15.513 -8.545 176 HG22 VAL 23 1HG2 VAL 23 5.763 -14.166 -8.228 177 HG23 VAL 23 2HG2 VAL 23 5.094 -14.397 -9.844 178 H SER 24 HN SER 24 2.980 -16.183 -10.453 179 HA SER 24 HA SER 24 1.156 -17.815 -8.899 180 HG SER 24 HG SER 24 3.928 -18.507 -11.074 181 HB2 SER 24 2HB SER 24 1.966 -19.643 -10.485 182 HB3 SER 24 1HB SER 24 1.096 -18.296 -11.217 183 H HIS 25 HN HIS 25 1.914 -18.182 -6.915 184 HA HIS 25 HA HIS 25 4.136 -20.003 -6.666 185 HD1 HIS 25 1HD HIS 25 7.213 -19.220 -6.403 186 HD2 HIS 25 2HD HIS 25 5.144 -18.854 -2.806 187 HE1 HIS 25 1HE HIS 25 8.719 -20.210 -4.643 188 HE2 HIS 25 2HE HIS 25 7.386 -20.123 -2.507 189 HB2 HIS 25 2HB HIS 25 5.171 -17.687 -6.542 190 HB3 HIS 25 1HB HIS 25 4.228 -17.425 -5.080 191 H SER 26 HN SER 26 2.168 -21.187 -6.179 192 HA SER 26 HA SER 26 0.657 -20.451 -3.840 193 HG SER 26 HG SER 26 -0.242 -21.707 -6.939 194 HB2 SER 26 2HB SER 26 0.539 -22.998 -5.471 195 HB3 SER 26 1HB SER 26 -0.675 -22.423 -4.325 196 H ASP 27 HN ASP 27 1.962 -20.539 -2.082 197 HA ASP 27 HA ASP 27 2.658 -23.199 -1.133 198 HB2 ASP 27 2HB ASP 27 4.704 -22.380 -2.294 199 HB3 ASP 27 1HB ASP 27 4.717 -20.979 -1.226 200 H LYS 28 HN LYS 28 1.531 -23.236 0.666 201 HA LYS 28 HA LYS 28 0.612 -22.710 2.662 202 HB2 LYS 28 2HB LYS 28 3.054 -20.944 2.889 203 HB3 LYS 28 1HB LYS 28 1.964 -21.317 4.217 204 HG2 LYS 28 2HG LYS 28 2.513 -23.700 3.973 205 HG3 LYS 28 1HG LYS 28 3.646 -23.289 2.684 206 HD2 LYS 28 2HD LYS 28 4.936 -21.925 4.246 207 HD3 LYS 28 1HD LYS 28 3.799 -22.315 5.539 208 HE2 LYS 28 2HE LYS 28 4.373 -24.695 5.288 209 HE3 LYS 28 1HE LYS 28 5.546 -24.267 4.043 210 HZ1 LYS 28 3HZ LYS 28 5.616 -23.382 6.875 211 HZ2 LYS 28 1HZ LYS 28 6.738 -22.946 5.678 212 HZ3 LYS 28 2HZ LYS 28 6.615 -24.563 6.174 213 H LYS 29 HN LYS 29 -1.272 -21.760 2.021 214 HA LYS 29 HA LYS 29 -1.264 -18.816 1.824 215 HB2 LYS 29 2HB LYS 29 -3.320 -19.054 0.454 216 HB3 LYS 29 1HB LYS 29 -1.916 -19.806 -0.288 217 HG2 LYS 29 2HG LYS 29 -2.673 -21.986 0.299 218 HG3 LYS 29 1HG LYS 29 -3.966 -21.325 1.303 219 HD2 LYS 29 2HD LYS 29 -3.735 -20.924 -1.676 220 HD3 LYS 29 1HD LYS 29 -4.744 -22.150 -0.906 221 HE2 LYS 29 2HE LYS 29 -5.975 -20.368 0.266 222 HE3 LYS 29 1HE LYS 29 -4.982 -19.160 -0.550 223 HZ1 LYS 29 3HZ LYS 29 -6.742 -21.113 -1.930 224 HZ2 LYS 29 1HZ LYS 29 -5.861 -19.860 -2.659 225 HZ3 LYS 29 2HZ LYS 29 -7.151 -19.496 -1.619 226 H SER 30 HN SER 30 -3.790 -18.152 2.149 227 HA SER 30 HA SER 30 -4.839 -19.533 4.502 228 HG SER 30 HG SER 30 -5.151 -18.297 6.526 229 HB2 SER 30 2HB SER 30 -3.410 -17.580 5.225 230 HB3 SER 30 1HB SER 30 -4.541 -16.519 4.388 231 H GLU 31 HN GLU 31 -7.005 -18.130 5.071 232 HA GLU 31 HA GLU 31 -8.614 -18.561 2.682 233 HB2 GLU 31 2HB GLU 31 -9.460 -18.098 5.546 234 HB3 GLU 31 1HB GLU 31 -10.518 -18.567 4.223 235 HG2 GLU 31 2HG GLU 31 -8.191 -20.220 5.154 236 HG3 GLU 31 1HG GLU 31 -9.830 -20.406 5.771 237 H ARG 32 HN ARG 32 -7.140 -15.957 4.111 238 HA ARG 32 HA ARG 32 -9.345 -14.107 3.727 239 HE ARG 32 HE ARG 32 -10.353 -13.872 7.555 240 HB2 ARG 32 2HB ARG 32 -6.645 -13.885 4.971 241 HB3 ARG 32 1HB ARG 32 -7.398 -12.421 4.354 242 HG2 ARG 32 2HG ARG 32 -7.906 -12.647 6.686 243 HG3 ARG 32 1HG ARG 32 -9.381 -12.888 5.748 244 HD2 ARG 32 2HD ARG 32 -8.745 -15.403 5.888 245 HD3 ARG 32 1HD ARG 32 -7.732 -14.891 7.236 246 HH11 ARG 32 1HH1 ARG 32 -8.452 -16.788 7.855 247 HH12 ARG 32 2HH1 ARG 32 -9.585 -17.580 8.911 248 HH21 ARG 32 1HH2 ARG 32 -11.842 -14.885 8.940 249 HH22 ARG 32 2HH2 ARG 32 -11.537 -16.504 9.507 250 H TRP 33 HN TRP 33 -9.643 -14.304 1.538 251 HA TRP 33 HA TRP 33 -7.650 -12.881 -0.088 252 HD1 TRP 33 1HD TRP 33 -10.539 -13.375 -3.033 253 HE1 TRP 33 1HE TRP 33 -9.451 -12.817 -5.300 254 HE3 TRP 33 3HE TRP 33 -5.740 -14.767 -1.969 255 HZ2 TRP 33 2HZ TRP 33 -6.883 -12.951 -6.474 256 HZ3 TRP 33 3HZ TRP 33 -4.025 -14.524 -3.719 257 HH2 TRP 33 2HH TRP 33 -4.586 -13.635 -5.923 258 HB2 TRP 33 2HB TRP 33 -7.989 -15.195 -0.844 259 HB3 TRP 33 1HB TRP 33 -9.719 -14.903 -0.981 260 H PHE 34 HN PHE 34 -8.336 -10.817 0.121 261 HA PHE 34 HA PHE 34 -10.939 -10.193 -1.037 262 HD1 PHE 34 1HD PHE 34 -13.199 -10.127 -0.096 263 HD2 PHE 34 2HD PHE 34 -11.133 -6.869 1.708 264 HE1 PHE 34 1HE PHE 34 -15.205 -8.722 -0.336 265 HE2 PHE 34 2HE PHE 34 -13.139 -5.465 1.469 266 HZ PHE 34 HZ PHE 34 -15.175 -6.391 0.448 267 HB2 PHE 34 2HB PHE 34 -11.088 -10.345 1.516 268 HB3 PHE 34 1HB PHE 34 -10.076 -8.905 1.553 269 H ARG 35 HN ARG 35 -7.982 -9.915 -1.682 270 HA ARG 35 HA ARG 35 -8.215 -7.128 -2.505 271 HE ARG 35 HE ARG 35 -3.561 -9.568 0.648 272 HB2 ARG 35 2HB ARG 35 -5.913 -6.586 -1.885 273 HB3 ARG 35 1HB ARG 35 -6.864 -7.033 -0.478 274 HG2 ARG 35 2HG ARG 35 -5.800 -9.125 -0.265 275 HG3 ARG 35 1HG ARG 35 -5.079 -9.009 -1.871 276 HD2 ARG 35 2HD ARG 35 -3.621 -7.234 -1.141 277 HD3 ARG 35 1HD ARG 35 -4.422 -7.168 0.428 278 HH11 ARG 35 1HH1 ARG 35 -1.848 -7.093 -1.175 279 HH12 ARG 35 2HH1 ARG 35 -0.281 -7.759 -0.832 280 HH21 ARG 35 1HH2 ARG 35 -1.479 -10.432 1.094 281 HH22 ARG 35 2HH2 ARG 35 -0.073 -9.639 0.443 282 HA PRO 36 HA PRO 36 -6.531 -9.816 -5.881 283 HB2 PRO 36 2HB PRO 36 -8.685 -10.063 -7.452 284 HB3 PRO 36 1HB PRO 36 -8.446 -11.102 -6.042 285 HG2 PRO 36 2HG PRO 36 -10.278 -8.787 -6.404 286 HG3 PRO 36 1HG PRO 36 -10.495 -10.255 -5.439 287 HD2 PRO 36 2HD PRO 36 -9.692 -7.725 -4.492 288 HD3 PRO 36 1HD PRO 36 -9.638 -9.256 -3.601 289 H ASN 37 HN ASN 37 -8.213 -6.836 -5.718 290 HA ASN 37 HA ASN 37 -6.836 -5.877 -8.133 291 HB2 ASN 37 2HB ASN 37 -9.684 -5.142 -7.373 292 HB3 ASN 37 1HB ASN 37 -8.789 -4.520 -8.751 293 HD21 ASN 37 1HD2 ASN 37 -8.506 -5.813 -10.564 294 HD22 ASN 37 2HD2 ASN 37 -9.413 -7.266 -10.812 295 H LEU 38 HN LEU 38 -8.683 -4.992 -5.269 296 HA LEU 38 HA LEU 38 -7.232 -2.524 -4.859 297 HG LEU 38 HG LEU 38 -9.922 -2.168 -5.192 298 HB2 LEU 38 2HB LEU 38 -9.457 -3.991 -3.525 299 HB3 LEU 38 1HB LEU 38 -8.547 -2.829 -2.580 300 HD11 LEU 38 1HD1 LEU 38 -11.583 -2.859 -3.551 301 HD12 LEU 38 2HD1 LEU 38 -11.665 -1.121 -3.833 302 HD13 LEU 38 3HD1 LEU 38 -10.900 -1.742 -2.372 303 HD21 LEU 38 3HD2 LEU 38 -8.087 -0.678 -4.596 304 HD22 LEU 38 1HD2 LEU 38 -8.800 -0.422 -3.002 305 HD23 LEU 38 2HD2 LEU 38 -9.641 0.141 -4.447 306 H GLN 39 HN GLN 39 -5.857 -2.136 -3.074 307 HA GLN 39 HA GLN 39 -4.904 -4.561 -1.693 308 HB2 GLN 39 2HB GLN 39 -3.368 -2.092 -2.509 309 HB3 GLN 39 1HB GLN 39 -2.738 -3.315 -1.418 310 HG2 GLN 39 2HG GLN 39 -3.538 -3.753 -4.287 311 HG3 GLN 39 1HG GLN 39 -1.891 -3.605 -3.679 312 HE21 GLN 39 1HE2 GLN 39 -4.671 -5.642 -3.950 313 HE22 GLN 39 2HE2 GLN 39 -3.924 -7.088 -3.373 314 H LYS 40 HN LYS 40 -5.751 -4.543 0.294 315 HA LYS 40 HA LYS 40 -6.304 -2.039 1.633 316 HB2 LYS 40 2HB LYS 40 -6.607 -4.876 2.645 317 HB3 LYS 40 1HB LYS 40 -7.203 -3.432 3.447 318 HG2 LYS 40 2HG LYS 40 -8.605 -3.018 1.384 319 HG3 LYS 40 1HG LYS 40 -8.156 -4.644 0.872 320 HD2 LYS 40 2HD LYS 40 -9.535 -3.954 3.469 321 HD3 LYS 40 1HD LYS 40 -10.337 -4.586 2.032 322 HE2 LYS 40 2HE LYS 40 -9.089 -6.648 2.185 323 HE3 LYS 40 1HE LYS 40 -8.131 -6.004 3.520 324 HZ1 LYS 40 3HZ LYS 40 -11.074 -6.299 3.676 325 HZ2 LYS 40 1HZ LYS 40 -9.985 -6.032 4.944 326 HZ3 LYS 40 2HZ LYS 40 -10.010 -7.532 4.151 327 H VAL 41 HN VAL 41 -4.664 -1.003 2.531 328 HA VAL 41 HA VAL 41 -2.663 -2.578 4.015 329 HB VAL 41 HB VAL 41 -0.952 -0.903 3.421 330 HG11 VAL 41 1HG1 VAL 41 -2.288 -2.189 1.040 331 HG12 VAL 41 2HG1 VAL 41 -1.112 -2.943 2.117 332 HG13 VAL 41 3HG1 VAL 41 -0.628 -1.593 1.090 333 HG21 VAL 41 3HG2 VAL 41 -3.072 0.212 1.583 334 HG22 VAL 41 1HG2 VAL 41 -1.372 0.690 1.600 335 HG23 VAL 41 2HG2 VAL 41 -2.393 1.009 3.003 336 H ARG 42 HN ARG 42 -1.495 -1.241 5.661 337 HA ARG 42 HA ARG 42 -3.462 0.271 7.181 338 HE ARG 42 HE ARG 42 -2.224 -4.199 9.540 339 HB2 ARG 42 2HB ARG 42 -0.604 -0.427 7.910 340 HB3 ARG 42 1HB ARG 42 -1.832 0.184 9.001 341 HG2 ARG 42 2HG ARG 42 -3.067 -1.885 8.838 342 HG3 ARG 42 1HG ARG 42 -1.947 -2.484 7.609 343 HD2 ARG 42 2HD ARG 42 -0.113 -2.347 9.224 344 HD3 ARG 42 1HD ARG 42 -1.238 -1.777 10.452 345 HH11 ARG 42 1HH1 ARG 42 0.672 -3.020 11.095 346 HH12 ARG 42 2HH1 ARG 42 0.977 -4.498 11.960 347 HH21 ARG 42 1HH2 ARG 42 -1.836 -6.167 10.702 348 HH22 ARG 42 2HH2 ARG 42 -0.476 -6.257 11.778 349 H VAL 43 HN VAL 43 -3.630 2.395 6.800 350 HA VAL 43 HA VAL 43 -1.148 3.885 6.262 351 HB VAL 43 HB VAL 43 -2.531 5.633 5.210 352 HG11 VAL 43 1HG1 VAL 43 -1.501 3.905 3.825 353 HG12 VAL 43 2HG1 VAL 43 -3.044 4.432 3.149 354 HG13 VAL 43 3HG1 VAL 43 -2.937 2.896 4.010 355 HG21 VAL 43 3HG2 VAL 43 -4.798 3.676 5.565 356 HG22 VAL 43 1HG2 VAL 43 -4.867 5.169 4.631 357 HG23 VAL 43 2HG2 VAL 43 -4.630 5.234 6.378 358 H VAL 44 HN VAL 44 -0.817 5.843 7.322 359 HA VAL 44 HA VAL 44 -2.330 6.094 9.828 360 HB VAL 44 HB VAL 44 0.386 7.209 9.108 361 HG11 VAL 44 1HG1 VAL 44 -1.129 7.290 11.717 362 HG12 VAL 44 2HG1 VAL 44 -0.750 8.667 10.681 363 HG13 VAL 44 3HG1 VAL 44 0.547 7.791 11.494 364 HG21 VAL 44 3HG2 VAL 44 0.470 4.817 9.368 365 HG22 VAL 44 1HG2 VAL 44 -0.434 4.913 10.879 366 HG23 VAL 44 2HG2 VAL 44 1.196 5.576 10.786 367 H LEU 45 HN LEU 45 -3.662 7.708 10.102 368 HA LEU 45 HA LEU 45 -3.915 9.749 8.067 369 HG LEU 45 HG LEU 45 -5.842 7.436 8.850 370 HB2 LEU 45 2HB LEU 45 -5.502 9.147 10.566 371 HB3 LEU 45 1HB LEU 45 -5.914 10.400 9.416 372 HD11 LEU 45 1HD1 LEU 45 -7.724 8.066 10.247 373 HD12 LEU 45 2HD1 LEU 45 -8.271 7.663 8.619 374 HD13 LEU 45 3HD1 LEU 45 -8.154 9.350 9.117 375 HD21 LEU 45 3HD2 LEU 45 -6.622 9.745 7.072 376 HD22 LEU 45 1HD2 LEU 45 -6.818 8.036 6.681 377 HD23 LEU 45 2HD2 LEU 45 -5.203 8.715 6.884 378 HA PRO 46 HA PRO 46 -1.704 12.996 10.173 379 HB2 PRO 46 2HB PRO 46 -3.902 14.760 9.236 380 HB3 PRO 46 1HB PRO 46 -2.161 14.894 8.967 381 HG2 PRO 46 2HG PRO 46 -3.780 14.115 7.006 382 HG3 PRO 46 1HG PRO 46 -2.179 13.379 7.216 383 HD2 PRO 46 2HD PRO 46 -4.872 12.297 7.951 384 HD3 PRO 46 1HD PRO 46 -3.469 11.457 7.259 385 H ASP 47 HN ASP 47 -5.083 12.414 10.617 386 HA ASP 47 HA ASP 47 -5.578 14.027 12.876 387 HB2 ASP 47 2HB ASP 47 -7.309 12.903 11.448 388 HB3 ASP 47 1HB ASP 47 -6.850 11.371 12.181 389 H GLY 48 HN GLY 48 -3.945 11.010 12.437 390 HA2 GLY 48 2HA GLY 48 -2.376 10.351 14.194 391 HA3 GLY 48 1HA GLY 48 -3.614 10.782 15.363 392 H THR 49 HN THR 49 -5.197 9.376 12.873 393 HA THR 49 HA THR 49 -5.597 6.964 14.398 394 HB THR 49 HB THR 49 -6.953 7.298 11.799 395 HG1 THR 49 1HG THR 49 -7.666 8.976 13.995 396 HG21 THR 49 3HG2 THR 49 -7.901 6.693 14.602 397 HG22 THR 49 1HG2 THR 49 -7.591 5.518 13.326 398 HG23 THR 49 2HG2 THR 49 -8.917 6.669 13.160 399 H ILE 50 HN ILE 50 -5.314 4.895 13.631 400 HA ILE 50 HA ILE 50 -3.747 4.600 11.156 401 HB ILE 50 HB ILE 50 -3.859 2.731 13.537 402 HG12 ILE 50 2HG1 ILE 50 -1.640 4.483 12.447 403 HG13 ILE 50 1HG1 ILE 50 -2.505 4.719 13.962 404 HG21 ILE 50 1HG2 ILE 50 -2.327 2.491 10.946 405 HG22 ILE 50 2HG2 ILE 50 -3.683 1.485 11.452 406 HG23 ILE 50 3HG2 ILE 50 -2.158 1.419 12.336 407 HD11 ILE 50 3HD1 ILE 50 -0.740 2.377 13.301 408 HD12 ILE 50 1HD1 ILE 50 -1.576 2.652 14.828 409 HD13 ILE 50 2HD1 ILE 50 -0.296 3.752 14.314 410 H LYS 51 HN LYS 51 -4.928 3.900 9.521 411 HA LYS 51 HA LYS 51 -7.258 2.203 10.095 412 HB2 LYS 51 2HB LYS 51 -8.108 4.413 9.786 413 HB3 LYS 51 1HB LYS 51 -7.104 4.662 8.369 414 HG2 LYS 51 2HG LYS 51 -9.304 4.340 7.594 415 HG3 LYS 51 1HG LYS 51 -8.423 2.859 7.236 416 HD2 LYS 51 2HD LYS 51 -9.424 1.758 9.145 417 HD3 LYS 51 1HD LYS 51 -10.231 3.256 9.618 418 HE2 LYS 51 2HE LYS 51 -11.443 3.229 7.452 419 HE3 LYS 51 1HE LYS 51 -10.708 1.665 7.098 420 HZ1 LYS 51 3HZ LYS 51 -11.795 0.748 9.050 421 HZ2 LYS 51 1HZ LYS 51 -12.948 1.437 8.011 422 HZ3 LYS 51 2HZ LYS 51 -12.475 2.259 9.412 423 H ARG 52 HN ARG 52 -7.336 0.433 8.905 424 HA ARG 52 HA ARG 52 -5.653 0.089 6.587 425 HE ARG 52 HE ARG 52 -5.657 -3.738 10.441 426 HB2 ARG 52 2HB ARG 52 -7.875 -1.686 7.615 427 HB3 ARG 52 1HB ARG 52 -6.704 -2.116 6.379 428 HG2 ARG 52 2HG ARG 52 -4.924 -1.795 8.139 429 HG3 ARG 52 1HG ARG 52 -6.241 -1.716 9.316 430 HD2 ARG 52 2HD ARG 52 -7.050 -3.899 8.288 431 HD3 ARG 52 1HD ARG 52 -5.471 -3.993 7.516 432 HH11 ARG 52 1HH1 ARG 52 -4.681 -5.526 7.588 433 HH12 ARG 52 2HH1 ARG 52 -3.897 -6.796 8.490 434 HH21 ARG 52 1HH2 ARG 52 -4.622 -5.387 11.632 435 HH22 ARG 52 2HH2 ARG 52 -3.862 -6.714 10.798 436 H MET 53 HN MET 53 -6.193 0.890 4.668 437 HA MET 53 HA MET 53 -9.066 1.035 4.033 438 HB2 MET 53 2HB MET 53 -6.968 3.138 3.581 439 HB3 MET 53 1HB MET 53 -8.411 3.074 2.578 440 HG2 MET 53 2HG MET 53 -9.743 3.129 4.725 441 HG3 MET 53 1HG MET 53 -8.232 3.530 5.538 442 HE1 MET 53 3HE MET 53 -7.318 6.976 3.920 443 HE2 MET 53 1HE MET 53 -6.764 5.388 3.402 444 HE3 MET 53 2HE MET 53 -6.867 5.765 5.122 445 H ARG 54 HN ARG 54 -9.642 0.982 1.834 446 HA ARG 54 HA ARG 54 -8.089 -0.908 0.316 447 HE ARG 54 HE ARG 54 -12.457 0.355 1.234 448 HB2 ARG 54 2HB ARG 54 -10.637 0.606 -0.304 449 HB3 ARG 54 1HB ARG 54 -9.941 -0.624 -1.348 450 HG2 ARG 54 2HG ARG 54 -10.363 -2.342 0.210 451 HG3 ARG 54 1HG ARG 54 -10.683 -1.189 1.508 452 HD2 ARG 54 2HD ARG 54 -12.378 -1.446 -0.970 453 HD3 ARG 54 1HD ARG 54 -12.725 -2.276 0.547 454 HH11 ARG 54 1HH1 ARG 54 -14.532 -1.437 -0.951 455 HH12 ARG 54 2HH1 ARG 54 -15.834 -0.302 -0.842 456 HH21 ARG 54 1HH2 ARG 54 -14.156 1.826 1.389 457 HH22 ARG 54 2HH2 ARG 54 -15.618 1.570 0.474 458 H VAL 55 HN VAL 55 -6.333 -0.244 -0.747 459 HA VAL 55 HA VAL 55 -6.351 2.449 -1.953 460 HB VAL 55 HB VAL 55 -3.954 0.823 -1.071 461 HG11 VAL 55 1HG1 VAL 55 -2.712 2.926 -1.403 462 HG12 VAL 55 2HG1 VAL 55 -4.174 3.666 -2.055 463 HG13 VAL 55 3HG1 VAL 55 -3.417 2.317 -2.900 464 HG21 VAL 55 3HG2 VAL 55 -3.755 2.453 0.754 465 HG22 VAL 55 1HG2 VAL 55 -5.268 1.553 0.850 466 HG23 VAL 55 2HG2 VAL 55 -5.264 3.209 0.243 467 H CYS 56 HN CYS 56 -5.755 2.688 -4.067 468 HA CYS 56 HA CYS 56 -5.665 0.268 -5.687 469 HG CYS 56 HG CYS 56 -4.855 4.108 -5.524 470 HB2 CYS 56 2HB CYS 56 -5.924 1.802 -7.595 471 HB3 CYS 56 1HB CYS 56 -7.165 2.076 -6.378 472 H THR 57 HN THR 57 -4.077 0.070 -7.427 473 HA THR 57 HA THR 57 -1.456 0.086 -6.481 474 HB THR 57 HB THR 57 -1.992 0.092 -9.421 475 HG1 THR 57 1HG THR 57 -3.071 -1.826 -9.310 476 HG21 THR 57 3HG2 THR 57 -0.433 -1.797 -9.361 477 HG22 THR 57 1HG2 THR 57 -0.388 -1.710 -7.600 478 HG23 THR 57 2HG2 THR 57 0.262 -0.384 -8.566 479 H SER 58 HN SER 58 -3.170 2.465 -8.429 480 HA SER 58 HA SER 58 -0.979 3.926 -9.372 481 HG SER 58 HG SER 58 -2.983 3.882 -11.102 482 HB2 SER 58 2HB SER 58 -3.678 5.051 -8.614 483 HB3 SER 58 1HB SER 58 -2.566 5.666 -9.838 484 H CYS 59 HN CYS 59 -2.786 4.123 -6.348 485 HA CYS 59 HA CYS 59 -1.318 6.348 -5.325 486 HG CYS 59 HG CYS 59 -4.049 7.550 -4.285 487 HB2 CYS 59 2HB CYS 59 -3.112 4.326 -3.973 488 HB3 CYS 59 1HB CYS 59 -2.459 5.753 -3.190 489 H LEU 60 HN LEU 60 -1.089 2.866 -5.154 490 HA LEU 60 HA LEU 60 0.766 2.607 -3.074 491 HG LEU 60 HG LEU 60 -1.647 0.943 -3.943 492 HB2 LEU 60 2HB LEU 60 0.263 0.896 -5.504 493 HB3 LEU 60 1HB LEU 60 1.318 0.420 -4.195 494 HD11 LEU 60 1HD1 LEU 60 -1.811 -1.468 -3.600 495 HD12 LEU 60 2HD1 LEU 60 -0.082 -1.632 -3.904 496 HD13 LEU 60 3HD1 LEU 60 -1.156 -1.090 -5.192 497 HD21 LEU 60 3HD2 LEU 60 -1.386 -0.000 -1.692 498 HD22 LEU 60 1HD2 LEU 60 -0.456 1.486 -1.891 499 HD23 LEU 60 2HD2 LEU 60 0.360 -0.076 -1.934 500 H LYS 61 HN LYS 61 1.320 2.717 -6.590 501 HA LYS 61 HA LYS 61 4.118 2.540 -6.508 502 HB2 LYS 61 2HB LYS 61 2.362 3.926 -8.535 503 HB3 LYS 61 1HB LYS 61 4.059 3.553 -8.770 504 HG2 LYS 61 2HG LYS 61 3.501 1.144 -8.545 505 HG3 LYS 61 1HG LYS 61 1.793 1.598 -8.482 506 HD2 LYS 61 2HD LYS 61 1.981 2.655 -10.668 507 HD3 LYS 61 1HD LYS 61 3.693 2.242 -10.733 508 HE2 LYS 61 2HE LYS 61 3.054 -0.154 -10.596 509 HE3 LYS 61 1HE LYS 61 1.361 0.335 -10.709 510 HZ1 LYS 61 3HZ LYS 61 2.192 -0.284 -12.870 511 HZ2 LYS 61 1HZ LYS 61 3.473 0.823 -12.740 512 HZ3 LYS 61 2HZ LYS 61 1.879 1.384 -12.847 513 H SER 62 HN SER 62 2.016 5.383 -6.683 514 HA SER 62 HA SER 62 4.182 7.219 -6.875 515 HG SER 62 HG SER 62 0.920 6.984 -8.063 516 HB2 SER 62 2HB SER 62 1.312 7.825 -6.165 517 HB3 SER 62 1HB SER 62 2.493 8.916 -6.891 518 H GLY 63 HN GLY 63 2.705 5.655 -4.222 519 HA2 GLY 63 2HA GLY 63 2.884 5.938 -1.941 520 HA3 GLY 63 1HA GLY 63 4.239 7.015 -2.263 521 H LYS 64 HN LYS 64 0.893 7.257 -3.284 522 HA LYS 64 HA LYS 64 0.825 10.055 -2.728 523 HB2 LYS 64 2HB LYS 64 -0.338 8.870 -4.622 524 HB3 LYS 64 1HB LYS 64 -1.476 8.234 -3.447 525 HG2 LYS 64 2HG LYS 64 -2.378 10.353 -3.009 526 HG3 LYS 64 1HG LYS 64 -1.025 11.180 -3.790 527 HD2 LYS 64 2HD LYS 64 -1.710 10.250 -5.953 528 HD3 LYS 64 1HD LYS 64 -3.065 9.434 -5.173 529 HE2 LYS 64 2HE LYS 64 -3.764 11.495 -6.280 530 HE3 LYS 64 1HE LYS 64 -4.012 11.574 -4.535 531 HZ1 LYS 64 3HZ LYS 64 -3.053 13.610 -5.515 532 HZ2 LYS 64 1HZ LYS 64 -1.665 12.734 -5.933 533 HZ3 LYS 64 2HZ LYS 64 -2.087 12.932 -4.303 534 H VAL 65 HN VAL 65 0.240 7.292 -0.897 535 HA VAL 65 HA VAL 65 -1.371 8.783 1.057 536 HB VAL 65 HB VAL 65 -1.952 6.601 2.039 537 HG11 VAL 65 1HG1 VAL 65 -3.408 7.555 0.337 538 HG12 VAL 65 2HG1 VAL 65 -3.392 5.795 0.225 539 HG13 VAL 65 3HG1 VAL 65 -2.470 6.761 -0.928 540 HG21 VAL 65 3HG2 VAL 65 0.048 5.343 1.454 541 HG22 VAL 65 1HG2 VAL 65 -0.373 5.440 -0.257 542 HG23 VAL 65 2HG2 VAL 65 -1.392 4.521 0.850 543 H LYS 66 HN LYS 66 -0.797 8.544 3.320 544 HA LYS 66 HA LYS 66 1.883 8.873 3.951 545 HB2 LYS 66 2HB LYS 66 -0.574 8.314 5.486 546 HB3 LYS 66 1HB LYS 66 0.927 7.871 6.287 547 HG2 LYS 66 2HG LYS 66 0.213 10.103 6.917 548 HG3 LYS 66 1HG LYS 66 1.741 10.157 6.041 549 HD2 LYS 66 2HD LYS 66 0.616 10.871 4.034 550 HD3 LYS 66 1HD LYS 66 -0.960 10.677 4.805 551 HE2 LYS 66 2HE LYS 66 -0.285 13.025 4.742 552 HE3 LYS 66 1HE LYS 66 -0.411 12.441 6.400 553 HZ1 LYS 66 3HZ LYS 66 1.559 13.764 6.149 554 HZ2 LYS 66 1HZ LYS 66 2.094 12.818 4.845 555 HZ3 LYS 66 2HZ LYS 66 2.014 12.154 6.402 556 H LYS 67 HN LYS 67 -0.086 5.960 4.401 557 HA LYS 67 HA LYS 67 0.392 3.748 4.258 558 HB2 LYS 67 2HB LYS 67 1.286 4.522 2.060 559 HB3 LYS 67 1HB LYS 67 2.866 4.709 2.794 560 HG2 LYS 67 2HG LYS 67 2.849 2.262 3.280 561 HG3 LYS 67 1HG LYS 67 1.356 2.147 2.340 562 HD2 LYS 67 2HD LYS 67 3.389 1.592 1.022 563 HD3 LYS 67 1HD LYS 67 2.484 2.957 0.361 564 HE2 LYS 67 2HE LYS 67 4.035 4.516 1.375 565 HE3 LYS 67 1HE LYS 67 4.903 3.192 2.150 566 HZ1 LYS 67 3HZ LYS 67 5.535 2.380 -0.036 567 HZ2 LYS 67 1HZ LYS 67 6.042 3.982 0.175 568 HZ3 LYS 67 2HZ LYS 67 4.690 3.637 -0.785 569 H TYR 68 HN TYR 68 1.775 5.638 6.321 570 HA TYR 68 HA TYR 68 2.998 5.401 8.213 571 HD1 TYR 68 1HD TYR 68 2.854 4.940 10.334 572 HD2 TYR 68 2HD TYR 68 4.230 1.118 9.075 573 HE1 TYR 68 1HE TYR 68 3.875 4.590 12.541 574 HE2 TYR 68 2HE TYR 68 5.263 0.758 11.275 575 HH TYR 68 HH TYR 68 4.559 2.703 13.965 576 HB2 TYR 68 2HB TYR 68 1.747 3.220 8.342 577 HB3 TYR 68 1HB TYR 68 3.119 2.447 7.558 578 H VAL 69 HN VAL 69 4.143 5.591 5.406 579 HA VAL 69 HA VAL 69 6.163 5.870 4.423 580 HB VAL 69 HB VAL 69 7.440 5.593 7.142 581 HG11 VAL 69 1HG1 VAL 69 8.956 5.733 5.233 582 HG12 VAL 69 2HG1 VAL 69 9.068 7.174 6.245 583 HG13 VAL 69 3HG1 VAL 69 8.181 7.233 4.720 584 HG21 VAL 69 3HG2 VAL 69 6.145 8.059 5.972 585 HG22 VAL 69 1HG2 VAL 69 7.075 7.988 7.470 586 HG23 VAL 69 2HG2 VAL 69 5.542 7.126 7.342 587 H GLY 70 HN GLY 70 5.050 3.190 4.811 588 HA2 GLY 70 2HA GLY 70 7.185 1.344 5.227 589 HA3 GLY 70 1HA GLY 70 5.645 0.994 4.450 590 H GLN 71 HN GLN 71 8.002 -0.128 3.545 591 HA GLN 71 HA GLN 71 9.167 -0.547 1.642 592 HB2 GLN 71 2HB GLN 71 7.265 1.488 0.477 593 HB3 GLN 71 1HB GLN 71 8.466 0.633 -0.480 594 HG2 GLN 71 2HG GLN 71 7.424 -1.466 -0.051 595 HG3 GLN 71 1HG GLN 71 6.343 -0.743 1.140 596 HE21 GLN 71 1HE2 GLN 71 5.806 -2.232 -1.356 597 HE22 GLN 71 2HE2 GLN 71 4.772 -1.201 -2.281 598 H VAL 72 HN VAL 72 10.784 0.367 0.171 599 HA VAL 72 HA VAL 72 12.781 1.453 0.029 600 HB VAL 72 HB VAL 72 11.229 2.801 -1.370 601 HG11 VAL 72 1HG1 VAL 72 11.148 4.678 0.984 602 HG12 VAL 72 2HG1 VAL 72 9.791 3.767 0.324 603 HG13 VAL 72 3HG1 VAL 72 10.551 5.037 -0.634 604 HG21 VAL 72 3HG2 VAL 72 13.618 3.190 -1.445 605 HG22 VAL 72 1HG2 VAL 72 13.493 4.329 -0.105 606 HG23 VAL 72 2HG2 VAL 72 12.737 4.704 -1.653 607 H SER 73 HN SER 73 12.512 0.719 2.566 608 HA SER 73 HA SER 73 12.635 2.911 4.405 609 HG SER 73 HG SER 73 12.415 -1.058 4.900 610 HB2 SER 73 2HB SER 73 13.175 1.034 6.048 611 HB3 SER 73 1HB SER 73 11.621 0.921 5.218 612 H GLU 74 HN GLU 74 14.949 0.242 4.322 613 HA GLU 74 HA GLU 74 17.196 1.851 3.671 614 HB2 GLU 74 2HB GLU 74 18.275 1.617 5.972 615 HB3 GLU 74 1HB GLU 74 17.025 2.841 5.805 616 HG2 GLU 74 2HG GLU 74 15.408 1.334 6.842 617 HG3 GLU 74 1HG GLU 74 16.659 0.102 7.000 618 H VAL 75 HN VAL 75 17.917 0.259 2.360 619 HA VAL 75 HA VAL 75 18.722 -2.255 3.685 620 HB VAL 75 HB VAL 75 18.003 -1.917 0.765 621 HG11 VAL 75 1HG1 VAL 75 18.720 -4.384 2.350 622 HG12 VAL 75 2HG1 VAL 75 19.709 -3.613 1.109 623 HG13 VAL 75 3HG1 VAL 75 18.173 -4.363 0.673 624 HG21 VAL 75 3HG2 VAL 75 16.018 -1.788 2.187 625 HG22 VAL 75 1HG2 VAL 75 16.472 -3.302 2.968 626 HG23 VAL 75 2HG2 VAL 75 16.038 -3.288 1.259 627 H GLY 76 HN GLY 76 20.813 -1.967 4.127 628 HA2 GLY 76 2HA GLY 76 22.496 -0.578 2.162 629 HA3 GLY 76 1HA GLY 76 22.905 -0.872 3.846 630 H SER 77 HN SER 77 22.401 -2.496 0.744 631 HA SER 77 HA SER 77 24.223 -4.621 1.638 632 HG SER 77 HG SER 77 22.764 -7.044 0.170 633 HB2 SER 77 2HB SER 77 21.907 -5.204 0.706 634 HB3 SER 77 1HB SER 77 22.513 -4.666 -0.859 Start of MODEL 16 1 HA GLN 1 HA GLN 1 -8.806 10.732 -16.335 2 H1 GLN 1 1HT GLN 1 -10.679 11.820 -18.356 3 H2 GLN 1 2HT GLN 1 -9.957 10.285 -18.382 4 H3 GLN 1 3HT GLN 1 -9.001 11.672 -18.534 5 HB2 GLN 1 2HB GLN 1 -10.318 13.355 -16.431 6 HB3 GLN 1 1HB GLN 1 -9.401 12.773 -15.048 7 HG2 GLN 1 2HG GLN 1 -7.351 12.879 -16.313 8 HG3 GLN 1 1HG GLN 1 -8.240 13.344 -17.764 9 HE21 GLN 1 1HE2 GLN 1 -6.106 14.734 -16.317 10 HE22 GLN 1 2HE2 GLN 1 -6.758 16.282 -15.873 11 H GLY 2 HN GLY 2 -10.021 8.913 -15.877 12 HA2 GLY 2 2HA GLY 2 -11.547 7.866 -14.463 13 HA3 GLY 2 1HA GLY 2 -12.356 9.412 -14.232 14 H HIS 3 HN HIS 3 -12.432 6.414 -15.798 15 HA HIS 3 HA HIS 3 -14.380 7.315 -17.792 16 HD1 HIS 3 1HD HIS 3 -14.383 5.677 -20.665 17 HD2 HIS 3 2HD HIS 3 -10.773 6.493 -18.773 18 HE1 HIS 3 1HE HIS 3 -12.872 6.597 -22.455 19 HE2 HIS 3 2HE HIS 3 -10.657 6.981 -21.313 20 HB2 HIS 3 2HB HIS 3 -12.702 4.875 -17.464 21 HB3 HIS 3 1HB HIS 3 -14.232 4.711 -18.320 22 H MET 4 HN MET 4 -14.102 5.254 -14.953 23 HA MET 4 HA MET 4 -16.998 5.165 -14.743 24 HB2 MET 4 2HB MET 4 -16.412 3.231 -16.177 25 HB3 MET 4 1HB MET 4 -15.344 2.638 -14.914 26 HG2 MET 4 2HG MET 4 -17.277 2.411 -13.417 27 HG3 MET 4 1HG MET 4 -18.335 2.935 -14.728 28 HE1 MET 4 3HE MET 4 -16.777 1.515 -17.197 29 HE2 MET 4 1HE MET 4 -18.536 1.548 -17.064 30 HE3 MET 4 2HE MET 4 -17.702 0.022 -17.343 31 H ILE 5 HN ILE 5 -17.650 5.172 -12.677 32 HA ILE 5 HA ILE 5 -15.643 4.934 -10.574 33 HB ILE 5 HB ILE 5 -18.582 5.669 -10.424 34 HG12 ILE 5 2HG1 ILE 5 -17.545 7.904 -9.659 35 HG13 ILE 5 1HG1 ILE 5 -16.050 7.298 -10.361 36 HG21 ILE 5 1HG2 ILE 5 -17.931 4.590 -8.373 37 HG22 ILE 5 2HG2 ILE 5 -18.103 6.323 -8.094 38 HG23 ILE 5 3HG2 ILE 5 -16.498 5.610 -8.251 39 HD11 ILE 5 3HD1 ILE 5 -18.643 7.729 -11.822 40 HD12 ILE 5 1HD1 ILE 5 -17.155 7.100 -12.531 41 HD13 ILE 5 2HD1 ILE 5 -17.206 8.750 -11.909 42 H MET 6 HN MET 6 -18.589 3.421 -11.733 43 HA MET 6 HA MET 6 -19.270 1.263 -11.742 44 HB2 MET 6 2HB MET 6 -16.964 0.603 -12.128 45 HB3 MET 6 1HB MET 6 -16.616 0.710 -10.408 46 HG2 MET 6 2HG MET 6 -18.190 -1.120 -9.987 47 HG3 MET 6 1HG MET 6 -18.499 -1.239 -11.718 48 HE1 MET 6 3HE MET 6 -14.386 -2.108 -9.800 49 HE2 MET 6 1HE MET 6 -15.791 -1.534 -8.902 50 HE3 MET 6 2HE MET 6 -14.993 -0.470 -10.064 51 H ALA 7 HN ALA 7 -17.529 1.515 -8.627 52 HA ALA 7 HA ALA 7 -19.998 1.362 -7.148 53 HB1 ALA 7 1HB ALA 7 -19.727 -0.983 -7.784 54 HB2 ALA 7 2HB ALA 7 -19.509 -0.774 -6.046 55 HB3 ALA 7 3HB ALA 7 -18.106 -0.988 -7.092 56 H LYS 8 HN LYS 8 -16.540 0.582 -6.809 57 HA LYS 8 HA LYS 8 -16.194 2.679 -4.863 58 HB2 LYS 8 2HB LYS 8 -17.139 0.809 -3.524 59 HB3 LYS 8 1HB LYS 8 -15.814 -0.211 -4.056 60 HG2 LYS 8 2HG LYS 8 -14.236 1.367 -2.962 61 HG3 LYS 8 1HG LYS 8 -15.630 2.240 -2.321 62 HD2 LYS 8 2HD LYS 8 -16.378 0.195 -1.190 63 HD3 LYS 8 1HD LYS 8 -14.971 -0.662 -1.820 64 HE2 LYS 8 2HE LYS 8 -14.448 -0.057 0.405 65 HE3 LYS 8 1HE LYS 8 -13.541 1.031 -0.641 66 HZ1 LYS 8 3HZ LYS 8 -15.283 2.711 -0.277 67 HZ2 LYS 8 1HZ LYS 8 -14.503 2.258 1.160 68 HZ3 LYS 8 2HZ LYS 8 -16.056 1.662 0.807 69 H ARG 9 HN ARG 9 -14.425 3.567 -5.699 70 HA ARG 9 HA ARG 9 -12.264 1.854 -6.668 71 HE ARG 9 HE ARG 9 -13.812 7.576 -6.641 72 HB2 ARG 9 2HB ARG 9 -11.292 4.187 -7.330 73 HB3 ARG 9 1HB ARG 9 -12.589 3.479 -8.275 74 HG2 ARG 9 2HG ARG 9 -13.028 5.811 -7.962 75 HG3 ARG 9 1HG ARG 9 -14.207 4.883 -7.036 76 HD2 ARG 9 2HD ARG 9 -13.136 5.380 -4.993 77 HD3 ARG 9 1HD ARG 9 -11.694 5.986 -5.809 78 HH11 ARG 9 1HH1 ARG 9 -12.155 6.830 -3.636 79 HH12 ARG 9 2HH1 ARG 9 -12.483 8.385 -2.933 80 HH21 ARG 9 1HH2 ARG 9 -14.211 9.623 -5.712 81 HH22 ARG 9 2HH2 ARG 9 -13.632 9.972 -4.110 82 H CYS 10 HN CYS 10 -10.069 3.579 -6.174 83 HA CYS 10 HA CYS 10 -9.296 2.769 -3.630 84 HG CYS 10 HG CYS 10 -7.068 3.462 -2.449 85 HB2 CYS 10 2HB CYS 10 -7.715 3.545 -5.383 86 HB3 CYS 10 1HB CYS 10 -8.254 5.195 -5.105 87 H GLU 11 HN GLU 11 -9.418 3.599 -1.628 88 HA GLU 11 HA GLU 11 -11.455 5.594 -1.209 89 HB2 GLU 11 2HB GLU 11 -9.794 4.161 0.869 90 HB3 GLU 11 1HB GLU 11 -11.348 4.956 1.104 91 HG2 GLU 11 2HG GLU 11 -12.381 3.303 -0.409 92 HG3 GLU 11 1HG GLU 11 -10.831 2.480 -0.525 93 H VAL 12 HN VAL 12 -8.359 5.916 -1.989 94 HA VAL 12 HA VAL 12 -7.826 8.102 -0.102 95 HB VAL 12 HB VAL 12 -5.816 6.714 -1.879 96 HG11 VAL 12 1HG1 VAL 12 -4.175 7.796 -0.397 97 HG12 VAL 12 2HG1 VAL 12 -5.495 8.633 0.422 98 HG13 VAL 12 3HG1 VAL 12 -5.162 8.961 -1.280 99 HG21 VAL 12 3HG2 VAL 12 -5.047 5.591 0.168 100 HG22 VAL 12 1HG2 VAL 12 -6.694 5.134 -0.264 101 HG23 VAL 12 2HG2 VAL 12 -6.412 6.279 1.049 102 H CYS 13 HN CYS 13 -6.798 7.430 -3.473 103 HA CYS 13 HA CYS 13 -7.177 10.304 -3.968 104 HG CYS 13 HG CYS 13 -4.788 10.667 -2.890 105 HB2 CYS 13 2HB CYS 13 -5.312 8.357 -5.325 106 HB3 CYS 13 1HB CYS 13 -5.456 10.067 -5.715 107 H GLY 14 HN GLY 14 -8.865 7.628 -4.533 108 HA2 GLY 14 2HA GLY 14 -10.802 7.552 -5.819 109 HA3 GLY 14 1HA GLY 14 -10.224 8.946 -6.715 110 H LYS 15 HN LYS 15 -7.620 7.294 -7.116 111 HA LYS 15 HA LYS 15 -8.164 6.449 -9.722 112 HB2 LYS 15 2HB LYS 15 -5.928 5.782 -7.818 113 HB3 LYS 15 1HB LYS 15 -5.971 5.156 -9.458 114 HG2 LYS 15 2HG LYS 15 -5.985 8.082 -8.741 115 HG3 LYS 15 1HG LYS 15 -4.554 7.159 -9.199 116 HD2 LYS 15 2HD LYS 15 -5.814 6.570 -11.334 117 HD3 LYS 15 1HD LYS 15 -6.953 7.837 -10.876 118 HE2 LYS 15 2HE LYS 15 -3.985 8.223 -11.264 119 HE3 LYS 15 1HE LYS 15 -5.222 8.615 -12.457 120 HZ1 LYS 15 3HZ LYS 15 -6.142 10.243 -10.962 121 HZ2 LYS 15 1HZ LYS 15 -4.489 10.549 -11.178 122 HZ3 LYS 15 2HZ LYS 15 -5.036 9.825 -9.748 123 H ALA 16 HN ALA 16 -8.642 4.495 -10.644 124 HA ALA 16 HA ALA 16 -9.995 2.594 -8.961 125 HB1 ALA 16 1HB ALA 16 -10.925 3.243 -11.130 126 HB2 ALA 16 2HB ALA 16 -10.617 1.507 -11.058 127 HB3 ALA 16 3HB ALA 16 -9.512 2.564 -11.940 128 HA PRO 17 HA PRO 17 -6.642 -0.306 -8.593 129 HB2 PRO 17 2HB PRO 17 -8.027 -2.589 -8.157 130 HB3 PRO 17 1HB PRO 17 -7.903 -1.314 -6.943 131 HG2 PRO 17 2HG PRO 17 -10.140 -1.895 -8.850 132 HG3 PRO 17 1HG PRO 17 -10.219 -1.481 -7.128 133 HD2 PRO 17 2HD PRO 17 -10.660 0.328 -9.104 134 HD3 PRO 17 1HD PRO 17 -9.967 0.773 -7.529 135 H ARG 18 HN ARG 18 -5.783 -0.254 -10.657 136 HA ARG 18 HA ARG 18 -6.983 -1.298 -12.962 137 HE ARG 18 HE ARG 18 -4.274 0.383 -15.444 138 HB2 ARG 18 2HB ARG 18 -4.042 -0.889 -12.406 139 HB3 ARG 18 1HB ARG 18 -4.773 -1.058 -13.995 140 HG2 ARG 18 2HG ARG 18 -6.034 1.012 -13.619 141 HG3 ARG 18 1HG ARG 18 -5.265 1.179 -12.042 142 HD2 ARG 18 2HD ARG 18 -4.097 2.582 -13.565 143 HD3 ARG 18 1HD ARG 18 -3.063 1.200 -13.207 144 HH11 ARG 18 1HH1 ARG 18 -2.706 3.407 -14.619 145 HH12 ARG 18 2HH1 ARG 18 -2.267 3.774 -16.262 146 HH21 ARG 18 1HH2 ARG 18 -3.726 0.885 -17.622 147 HH22 ARG 18 2HH2 ARG 18 -2.854 2.352 -17.957 148 H SER 19 HN SER 19 -4.333 -2.705 -11.015 149 HA SER 19 HA SER 19 -5.270 -5.352 -11.792 150 HG SER 19 HG SER 19 -3.711 -6.925 -12.264 151 HB2 SER 19 2HB SER 19 -3.567 -4.664 -13.480 152 HB3 SER 19 1HB SER 19 -2.393 -4.486 -12.179 153 H GLY 20 HN GLY 20 -2.354 -4.004 -10.229 154 HA2 GLY 20 2HA GLY 20 -2.291 -3.883 -7.782 155 HA3 GLY 20 1HA GLY 20 -3.174 -5.402 -7.765 156 H ASN 21 HN ASN 21 -1.999 -7.142 -9.146 157 HA ASN 21 HA ASN 21 -0.247 -8.548 -9.448 158 HB2 ASN 21 2HB ASN 21 0.997 -6.537 -10.288 159 HB3 ASN 21 1HB ASN 21 1.580 -6.267 -8.653 160 HD21 ASN 21 1HD2 ASN 21 3.716 -6.497 -9.321 161 HD22 ASN 21 2HD2 ASN 21 4.392 -8.041 -9.709 162 H THR 22 HN THR 22 1.519 -9.657 -8.125 163 HA THR 22 HA THR 22 2.148 -10.701 -6.215 164 HB THR 22 HB THR 22 1.228 -8.109 -5.121 165 HG1 THR 22 1HG THR 22 3.317 -8.062 -4.439 166 HG21 THR 22 3HG2 THR 22 1.503 -8.845 -2.780 167 HG22 THR 22 1HG2 THR 22 1.586 -10.518 -3.330 168 HG23 THR 22 2HG2 THR 22 0.102 -9.590 -3.552 169 H VAL 23 HN VAL 23 1.306 -12.312 -4.923 170 HA VAL 23 HA VAL 23 -1.272 -13.201 -5.645 171 HB VAL 23 HB VAL 23 -0.880 -15.010 -3.951 172 HG11 VAL 23 1HG1 VAL 23 -0.212 -15.290 -6.268 173 HG12 VAL 23 2HG1 VAL 23 0.968 -16.046 -5.198 174 HG13 VAL 23 3HG1 VAL 23 1.325 -14.489 -5.944 175 HG21 VAL 23 3HG2 VAL 23 1.757 -13.587 -3.569 176 HG22 VAL 23 1HG2 VAL 23 1.347 -15.179 -2.934 177 HG23 VAL 23 2HG2 VAL 23 0.483 -13.754 -2.362 178 H SER 24 HN SER 24 -3.168 -12.673 -4.849 179 HA SER 24 HA SER 24 -3.488 -11.113 -2.488 180 HG SER 24 HG SER 24 -4.156 -10.827 -5.038 181 HB2 SER 24 2HB SER 24 -5.592 -12.633 -4.052 182 HB3 SER 24 1HB SER 24 -5.886 -11.331 -2.899 183 H HIS 25 HN HIS 25 -2.819 -12.081 -0.660 184 HA HIS 25 HA HIS 25 -4.301 -14.411 0.262 185 HD1 HIS 25 1HD HIS 25 -0.499 -15.363 2.287 186 HD2 HIS 25 2HD HIS 25 -3.799 -17.347 0.709 187 HE1 HIS 25 1HE HIS 25 -0.849 -17.383 3.754 188 HE2 HIS 25 2HE HIS 25 -2.768 -18.638 2.698 189 HB2 HIS 25 2HB HIS 25 -2.314 -15.358 -0.855 190 HB3 HIS 25 1HB HIS 25 -1.271 -14.358 0.148 191 H SER 26 HN SER 26 -4.769 -14.231 2.371 192 HA SER 26 HA SER 26 -2.955 -12.753 4.103 193 HG SER 26 HG SER 26 -5.532 -11.259 5.908 194 HB2 SER 26 2HB SER 26 -4.717 -11.135 3.378 195 HB3 SER 26 1HB SER 26 -5.937 -12.200 4.079 196 H ASP 27 HN ASP 27 -6.253 -14.035 4.540 197 HA ASP 27 HA ASP 27 -5.343 -16.373 5.937 198 HB2 ASP 27 2HB ASP 27 -5.130 -14.354 7.561 199 HB3 ASP 27 1HB ASP 27 -6.889 -14.387 7.596 200 H LYS 28 HN LYS 28 -6.949 -17.904 5.930 201 HA LYS 28 HA LYS 28 -9.392 -17.165 4.540 202 HB2 LYS 28 2HB LYS 28 -8.389 -19.888 5.386 203 HB3 LYS 28 1HB LYS 28 -9.807 -19.584 4.393 204 HG2 LYS 28 2HG LYS 28 -8.311 -18.522 2.707 205 HG3 LYS 28 1HG LYS 28 -6.934 -19.039 3.681 206 HD2 LYS 28 2HD LYS 28 -7.288 -20.642 1.922 207 HD3 LYS 28 1HD LYS 28 -7.728 -21.382 3.463 208 HE2 LYS 28 2HE LYS 28 -10.088 -20.900 3.006 209 HE3 LYS 28 1HE LYS 28 -9.640 -20.182 1.462 210 HZ1 LYS 28 3HZ LYS 28 -8.655 -22.393 0.881 211 HZ2 LYS 28 1HZ LYS 28 -10.343 -22.377 1.031 212 HZ3 LYS 28 2HZ LYS 28 -9.391 -23.022 2.273 213 H LYS 29 HN LYS 29 -10.146 -15.914 6.379 214 HA LYS 29 HA LYS 29 -11.594 -17.642 8.270 215 HB2 LYS 29 2HB LYS 29 -10.258 -14.987 8.787 216 HB3 LYS 29 1HB LYS 29 -11.497 -15.639 9.849 217 HG2 LYS 29 2HG LYS 29 -10.129 -17.552 10.352 218 HG3 LYS 29 1HG LYS 29 -8.910 -17.032 9.186 219 HD2 LYS 29 2HD LYS 29 -8.427 -15.069 10.498 220 HD3 LYS 29 1HD LYS 29 -9.751 -15.436 11.603 221 HE2 LYS 29 2HE LYS 29 -7.534 -16.040 12.514 222 HE3 LYS 29 1HE LYS 29 -8.627 -17.416 12.374 223 HZ1 LYS 29 3HZ LYS 29 -7.493 -18.130 10.401 224 HZ2 LYS 29 1HZ LYS 29 -6.343 -17.899 11.622 225 HZ3 LYS 29 2HZ LYS 29 -6.509 -16.745 10.389 226 H SER 30 HN SER 30 -13.535 -17.685 7.272 227 HA SER 30 HA SER 30 -15.657 -17.018 6.860 228 HG SER 30 HG SER 30 -14.585 -16.480 9.370 229 HB2 SER 30 2HB SER 30 -14.851 -14.399 8.140 230 HB3 SER 30 1HB SER 30 -16.497 -14.991 7.901 231 H GLU 31 HN GLU 31 -13.251 -16.259 5.112 232 HA GLU 31 HA GLU 31 -12.907 -15.386 3.053 233 HB2 GLU 31 2HB GLU 31 -15.923 -15.422 3.025 234 HB3 GLU 31 1HB GLU 31 -14.928 -15.093 1.614 235 HG2 GLU 31 2HG GLU 31 -13.988 -17.290 1.680 236 HG3 GLU 31 1HG GLU 31 -14.780 -17.627 3.220 237 H ARG 32 HN ARG 32 -12.021 -13.495 4.155 238 HA ARG 32 HA ARG 32 -13.623 -11.069 3.871 239 HE ARG 32 HE ARG 32 -10.680 -11.094 7.093 240 HB2 ARG 32 2HB ARG 32 -12.374 -11.309 5.948 241 HB3 ARG 32 1HB ARG 32 -10.879 -11.538 5.060 242 HG2 ARG 32 2HG ARG 32 -10.818 -9.275 4.384 243 HG3 ARG 32 1HG ARG 32 -12.483 -9.002 4.906 244 HD2 ARG 32 2HD ARG 32 -10.419 -8.250 6.389 245 HD3 ARG 32 1HD ARG 32 -11.911 -8.850 7.114 246 HH11 ARG 32 1HH1 ARG 32 -9.109 -7.992 7.617 247 HH12 ARG 32 2HH1 ARG 32 -7.816 -8.683 8.553 248 HH21 ARG 32 1HH2 ARG 32 -8.996 -11.976 8.288 249 HH22 ARG 32 2HH2 ARG 32 -7.726 -10.958 8.903 250 H TRP 33 HN TRP 33 -13.726 -11.257 1.584 251 HA TRP 33 HA TRP 33 -11.202 -10.771 0.147 252 HD1 TRP 33 1HD TRP 33 -13.163 -11.496 -3.411 253 HE1 TRP 33 1HE TRP 33 -11.314 -12.059 -5.112 254 HE3 TRP 33 3HE TRP 33 -9.743 -13.518 -0.207 255 HZ2 TRP 33 2HZ TRP 33 -8.735 -13.224 -5.084 256 HZ3 TRP 33 3HZ TRP 33 -7.608 -14.335 -1.120 257 HH2 TRP 33 2HH TRP 33 -7.114 -14.191 -3.509 258 HB2 TRP 33 2HB TRP 33 -12.329 -13.056 -0.085 259 HB3 TRP 33 1HB TRP 33 -13.616 -12.223 -0.942 260 H PHE 34 HN PHE 34 -13.429 -8.985 1.258 261 HA PHE 34 HA PHE 34 -14.895 -7.908 -0.887 262 HD1 PHE 34 1HD PHE 34 -17.126 -6.856 -0.394 263 HD2 PHE 34 2HD PHE 34 -14.290 -4.261 1.430 264 HE1 PHE 34 1HE PHE 34 -18.474 -4.916 -1.073 265 HE2 PHE 34 2HE PHE 34 -15.635 -2.314 0.758 266 HZ PHE 34 HZ PHE 34 -17.730 -2.641 -0.496 267 HB2 PHE 34 2HB PHE 34 -15.453 -7.556 1.503 268 HB3 PHE 34 1HB PHE 34 -14.035 -6.523 1.665 269 H ARG 35 HN ARG 35 -14.117 -7.000 -2.620 270 HA ARG 35 HA ARG 35 -12.812 -5.881 -4.100 271 HE ARG 35 HE ARG 35 -16.181 -2.640 -3.018 272 HB2 ARG 35 2HB ARG 35 -12.017 -4.130 -1.770 273 HB3 ARG 35 1HB ARG 35 -11.967 -3.712 -3.475 274 HG2 ARG 35 2HG ARG 35 -14.447 -4.223 -1.850 275 HG3 ARG 35 1HG ARG 35 -13.835 -2.648 -2.346 276 HD2 ARG 35 2HD ARG 35 -14.136 -3.296 -4.703 277 HD3 ARG 35 1HD ARG 35 -14.793 -4.847 -4.177 278 HH11 ARG 35 1HH1 ARG 35 -15.951 -4.561 -5.942 279 HH12 ARG 35 2HH1 ARG 35 -17.589 -4.241 -6.426 280 HH21 ARG 35 1HH2 ARG 35 -18.310 -2.207 -3.651 281 HH22 ARG 35 2HH2 ARG 35 -18.938 -2.918 -5.113 282 HA PRO 36 HA PRO 36 -8.994 -8.099 -2.762 283 HB2 PRO 36 2HB PRO 36 -8.666 -9.493 -5.060 284 HB3 PRO 36 1HB PRO 36 -9.726 -10.029 -3.754 285 HG2 PRO 36 2HG PRO 36 -10.418 -8.642 -6.309 286 HG3 PRO 36 1HG PRO 36 -11.251 -9.980 -5.498 287 HD2 PRO 36 2HD PRO 36 -12.083 -7.391 -5.348 288 HD3 PRO 36 1HD PRO 36 -12.362 -8.581 -4.061 289 H ASN 37 HN ASN 37 -9.641 -6.524 -5.904 290 HA ASN 37 HA ASN 37 -6.858 -6.297 -6.551 291 HB2 ASN 37 2HB ASN 37 -9.302 -4.995 -7.760 292 HB3 ASN 37 1HB ASN 37 -7.672 -4.794 -8.395 293 HD21 ASN 37 1HD2 ASN 37 -10.063 -6.000 -9.595 294 HD22 ASN 37 2HD2 ASN 37 -9.610 -7.607 -10.041 295 H LEU 38 HN LEU 38 -9.005 -4.471 -4.648 296 HA LEU 38 HA LEU 38 -7.276 -2.133 -4.611 297 HG LEU 38 HG LEU 38 -9.791 -1.589 -5.499 298 HB2 LEU 38 2HB LEU 38 -9.874 -2.850 -3.313 299 HB3 LEU 38 1HB LEU 38 -8.895 -1.566 -2.627 300 HD11 LEU 38 1HD1 LEU 38 -11.762 -1.548 -4.079 301 HD12 LEU 38 2HD1 LEU 38 -11.499 0.038 -4.806 302 HD13 LEU 38 3HD1 LEU 38 -11.064 -0.241 -3.118 303 HD21 LEU 38 3HD2 LEU 38 -9.235 0.786 -5.392 304 HD22 LEU 38 1HD2 LEU 38 -7.834 -0.217 -5.012 305 HD23 LEU 38 2HD2 LEU 38 -8.716 0.594 -3.718 306 H GLN 39 HN GLN 39 -5.422 -2.355 -3.570 307 HA GLN 39 HA GLN 39 -4.993 -4.406 -1.661 308 HB2 GLN 39 2HB GLN 39 -3.281 -2.028 -2.374 309 HB3 GLN 39 1HB GLN 39 -2.771 -3.351 -1.333 310 HG2 GLN 39 2HG GLN 39 -3.507 -4.781 -3.440 311 HG3 GLN 39 1HG GLN 39 -3.125 -3.269 -4.268 312 HE21 GLN 39 1HE2 GLN 39 -1.567 -4.316 -1.338 313 HE22 GLN 39 2HE2 GLN 39 -0.022 -4.621 -2.034 314 H LYS 40 HN LYS 40 -6.261 -4.239 0.047 315 HA LYS 40 HA LYS 40 -6.576 -1.872 1.592 316 HB2 LYS 40 2HB LYS 40 -7.534 -3.532 3.286 317 HB3 LYS 40 1HB LYS 40 -8.340 -3.450 1.724 318 HG2 LYS 40 2HG LYS 40 -7.160 -5.460 0.999 319 HG3 LYS 40 1HG LYS 40 -6.324 -5.537 2.553 320 HD2 LYS 40 2HD LYS 40 -8.156 -7.085 2.611 321 HD3 LYS 40 1HD LYS 40 -8.561 -5.722 3.655 322 HE2 LYS 40 2HE LYS 40 -10.493 -6.309 2.351 323 HE3 LYS 40 1HE LYS 40 -9.882 -4.752 1.798 324 HZ1 LYS 40 3HZ LYS 40 -8.828 -5.858 -0.067 325 HZ2 LYS 40 1HZ LYS 40 -10.485 -6.201 -0.048 326 HZ3 LYS 40 2HZ LYS 40 -9.377 -7.367 0.477 327 H VAL 41 HN VAL 41 -4.973 -0.998 2.702 328 HA VAL 41 HA VAL 41 -3.048 -2.784 4.041 329 HB VAL 41 HB VAL 41 -1.281 -1.108 3.587 330 HG11 VAL 41 1HG1 VAL 41 -2.618 -2.252 1.141 331 HG12 VAL 41 2HG1 VAL 41 -1.449 -3.069 2.180 332 HG13 VAL 41 3HG1 VAL 41 -0.955 -1.671 1.224 333 HG21 VAL 41 3HG2 VAL 41 -2.707 0.840 3.243 334 HG22 VAL 41 1HG2 VAL 41 -3.327 0.130 1.753 335 HG23 VAL 41 2HG2 VAL 41 -1.627 0.584 1.874 336 H ARG 42 HN ARG 42 -1.774 -1.604 5.732 337 HA ARG 42 HA ARG 42 -3.606 -0.117 7.426 338 HE ARG 42 HE ARG 42 -2.872 -4.536 10.153 339 HB2 ARG 42 2HB ARG 42 -0.796 -1.124 7.963 340 HB3 ARG 42 1HB ARG 42 -1.885 -0.437 9.162 341 HG2 ARG 42 2HG ARG 42 -3.334 -2.306 9.046 342 HG3 ARG 42 1HG ARG 42 -2.531 -2.922 7.598 343 HD2 ARG 42 2HD ARG 42 -0.503 -3.336 8.869 344 HD3 ARG 42 1HD ARG 42 -1.245 -2.648 10.314 345 HH11 ARG 42 1HH1 ARG 42 0.330 -4.802 8.750 346 HH12 ARG 42 2HH1 ARG 42 0.393 -6.529 8.915 347 HH21 ARG 42 1HH2 ARG 42 -2.791 -6.814 10.366 348 HH22 ARG 42 2HH2 ARG 42 -1.371 -7.672 9.845 349 H VAL 43 HN VAL 43 -3.652 2.020 7.260 350 HA VAL 43 HA VAL 43 -1.131 3.414 6.647 351 HB VAL 43 HB VAL 43 -2.442 5.190 5.554 352 HG11 VAL 43 1HG1 VAL 43 -2.930 2.451 4.382 353 HG12 VAL 43 2HG1 VAL 43 -1.456 3.403 4.206 354 HG13 VAL 43 3HG1 VAL 43 -2.967 3.978 3.500 355 HG21 VAL 43 3HG2 VAL 43 -4.793 4.773 4.943 356 HG22 VAL 43 1HG2 VAL 43 -4.564 4.908 6.689 357 HG23 VAL 43 2HG2 VAL 43 -4.779 3.322 5.947 358 H VAL 44 HN VAL 44 -0.969 5.573 7.494 359 HA VAL 44 HA VAL 44 -2.377 5.865 10.050 360 HB VAL 44 HB VAL 44 0.184 7.212 9.149 361 HG11 VAL 44 1HG1 VAL 44 -1.043 8.541 10.764 362 HG12 VAL 44 2HG1 VAL 44 0.399 7.850 11.505 363 HG13 VAL 44 3HG1 VAL 44 -1.182 7.145 11.835 364 HG21 VAL 44 3HG2 VAL 44 1.310 5.726 10.733 365 HG22 VAL 44 1HG2 VAL 44 0.517 4.820 9.442 366 HG23 VAL 44 2HG2 VAL 44 -0.219 4.902 11.043 367 H LEU 45 HN LEU 45 -3.864 7.396 10.204 368 HA LEU 45 HA LEU 45 -4.617 9.033 8.048 369 HG LEU 45 HG LEU 45 -6.234 7.219 10.114 370 HB2 LEU 45 2HB LEU 45 -5.269 9.221 10.989 371 HB3 LEU 45 1HB LEU 45 -6.035 10.203 9.759 372 HD11 LEU 45 1HD1 LEU 45 -8.606 7.667 10.371 373 HD12 LEU 45 2HD1 LEU 45 -8.319 9.392 10.141 374 HD13 LEU 45 3HD1 LEU 45 -7.668 8.571 11.558 375 HD21 LEU 45 3HD2 LEU 45 -7.309 8.899 7.855 376 HD22 LEU 45 1HD2 LEU 45 -7.655 7.193 8.133 377 HD23 LEU 45 2HD2 LEU 45 -6.015 7.707 7.740 378 HA PRO 46 HA PRO 46 -1.827 12.353 8.041 379 HB2 PRO 46 2HB PRO 46 -3.477 14.488 7.515 380 HB3 PRO 46 1HB PRO 46 -2.937 13.321 6.306 381 HG2 PRO 46 2HG PRO 46 -5.516 13.428 7.816 382 HG3 PRO 46 1HG PRO 46 -5.236 13.070 6.101 383 HD2 PRO 46 2HD PRO 46 -5.711 11.120 7.871 384 HD3 PRO 46 1HD PRO 46 -4.562 10.894 6.538 385 H ASP 47 HN ASP 47 -4.219 12.255 10.439 386 HA ASP 47 HA ASP 47 -3.154 14.625 11.795 387 HB2 ASP 47 2HB ASP 47 -5.637 14.322 11.648 388 HB3 ASP 47 1HB ASP 47 -5.472 12.875 12.638 389 H GLY 48 HN GLY 48 -4.205 11.410 12.934 390 HA2 GLY 48 2HA GLY 48 -1.715 10.465 13.734 391 HA3 GLY 48 1HA GLY 48 -2.365 11.383 15.085 392 H THR 49 HN THR 49 -3.612 9.042 12.709 393 HA THR 49 HA THR 49 -4.562 7.341 14.889 394 HB THR 49 HB THR 49 -6.468 7.922 12.662 395 HG1 THR 49 1HG THR 49 -6.373 9.463 15.061 396 HG21 THR 49 3HG2 THR 49 -6.932 6.094 14.228 397 HG22 THR 49 1HG2 THR 49 -8.131 7.377 14.372 398 HG23 THR 49 2HG2 THR 49 -6.850 7.229 15.577 399 H ILE 50 HN ILE 50 -5.085 5.157 14.136 400 HA ILE 50 HA ILE 50 -3.799 4.550 11.554 401 HB ILE 50 HB ILE 50 -4.124 2.729 13.950 402 HG12 ILE 50 2HG1 ILE 50 -1.657 4.061 12.801 403 HG13 ILE 50 1HG1 ILE 50 -2.461 4.514 14.302 404 HG21 ILE 50 1HG2 ILE 50 -2.647 1.207 12.681 405 HG22 ILE 50 2HG2 ILE 50 -2.758 2.294 11.297 406 HG23 ILE 50 3HG2 ILE 50 -4.200 1.472 11.891 407 HD11 ILE 50 3HD1 ILE 50 -0.465 3.183 14.712 408 HD12 ILE 50 1HD1 ILE 50 -1.134 1.869 13.747 409 HD13 ILE 50 2HD1 ILE 50 -1.918 2.341 15.254 410 H LYS 51 HN LYS 51 -4.999 3.664 9.994 411 HA LYS 51 HA LYS 51 -7.393 2.158 10.685 412 HB2 LYS 51 2HB LYS 51 -8.116 4.547 10.416 413 HB3 LYS 51 1HB LYS 51 -7.524 4.491 8.762 414 HG2 LYS 51 2HG LYS 51 -9.132 2.739 8.231 415 HG3 LYS 51 1HG LYS 51 -9.715 2.759 9.895 416 HD2 LYS 51 2HD LYS 51 -11.229 4.026 8.523 417 HD3 LYS 51 1HD LYS 51 -10.360 5.136 9.584 418 HE2 LYS 51 2HE LYS 51 -8.873 5.747 7.774 419 HE3 LYS 51 1HE LYS 51 -9.647 4.576 6.707 420 HZ1 LYS 51 3HZ LYS 51 -11.012 6.910 7.938 421 HZ2 LYS 51 1HZ LYS 51 -11.687 5.828 6.823 422 HZ3 LYS 51 2HZ LYS 51 -10.434 6.865 6.345 423 H ARG 52 HN ARG 52 -8.126 0.809 8.972 424 HA ARG 52 HA ARG 52 -6.037 0.214 7.015 425 HE ARG 52 HE ARG 52 -6.245 -3.022 10.916 426 HB2 ARG 52 2HB ARG 52 -8.546 -1.344 7.671 427 HB3 ARG 52 1HB ARG 52 -7.197 -1.899 6.689 428 HG2 ARG 52 2HG ARG 52 -5.739 -1.922 8.585 429 HG3 ARG 52 1HG ARG 52 -6.972 -1.168 9.596 430 HD2 ARG 52 2HD ARG 52 -8.414 -3.169 9.111 431 HD3 ARG 52 1HD ARG 52 -6.988 -3.925 8.401 432 HH11 ARG 52 1HH1 ARG 52 -8.502 -5.343 9.574 433 HH12 ARG 52 2HH1 ARG 52 -8.473 -6.368 10.978 434 HH21 ARG 52 1HH2 ARG 52 -6.200 -4.363 12.760 435 HH22 ARG 52 2HH2 ARG 52 -7.145 -5.821 12.780 436 H MET 53 HN MET 53 -6.242 0.678 4.921 437 HA MET 53 HA MET 53 -8.897 1.428 3.902 438 HB2 MET 53 2HB MET 53 -6.398 3.102 3.643 439 HB3 MET 53 1HB MET 53 -7.888 3.397 2.755 440 HG2 MET 53 2HG MET 53 -9.072 3.748 4.859 441 HG3 MET 53 1HG MET 53 -7.581 3.451 5.748 442 HE1 MET 53 3HE MET 53 -8.065 5.439 2.370 443 HE2 MET 53 1HE MET 53 -8.261 7.081 2.975 444 HE3 MET 53 2HE MET 53 -9.492 5.864 3.315 445 H ARG 54 HN ARG 54 -9.149 1.313 1.642 446 HA ARG 54 HA ARG 54 -7.390 -0.684 0.445 447 HE ARG 54 HE ARG 54 -12.320 -3.224 1.130 448 HB2 ARG 54 2HB ARG 54 -10.028 0.468 -0.484 449 HB3 ARG 54 1HB ARG 54 -9.172 -0.867 -1.251 450 HG2 ARG 54 2HG ARG 54 -9.610 -2.323 0.494 451 HG3 ARG 54 1HG ARG 54 -9.913 -1.017 1.638 452 HD2 ARG 54 2HD ARG 54 -11.962 -0.452 0.346 453 HD3 ARG 54 1HD ARG 54 -11.675 -1.885 -0.642 454 HH11 ARG 54 1HH1 ARG 54 -12.059 0.108 2.212 455 HH12 ARG 54 2HH1 ARG 54 -12.980 -0.167 3.659 456 HH21 ARG 54 1HH2 ARG 54 -13.514 -3.581 3.044 457 HH22 ARG 54 2HH2 ARG 54 -13.827 -2.262 4.126 458 H VAL 55 HN VAL 55 -5.702 -0.004 -0.633 459 HA VAL 55 HA VAL 55 -5.885 2.540 -2.128 460 HB VAL 55 HB VAL 55 -3.366 1.213 -1.104 461 HG11 VAL 55 1HG1 VAL 55 -3.019 2.655 -3.033 462 HG12 VAL 55 2HG1 VAL 55 -2.320 3.368 -1.579 463 HG13 VAL 55 3HG1 VAL 55 -3.851 3.975 -2.208 464 HG21 VAL 55 3HG2 VAL 55 -3.330 2.932 0.634 465 HG22 VAL 55 1HG2 VAL 55 -4.760 1.909 0.771 466 HG23 VAL 55 2HG2 VAL 55 -4.896 3.525 0.082 467 H CYS 56 HN CYS 56 -5.322 2.555 -4.277 468 HA CYS 56 HA CYS 56 -5.094 -0.060 -5.526 469 HG CYS 56 HG CYS 56 -6.654 3.952 -7.062 470 HB2 CYS 56 2HB CYS 56 -5.399 1.219 -7.645 471 HB3 CYS 56 1HB CYS 56 -6.711 1.433 -6.492 472 H THR 57 HN THR 57 -3.534 -0.429 -7.247 473 HA THR 57 HA THR 57 -0.911 -0.054 -6.393 474 HB THR 57 HB THR 57 -1.592 -1.910 -7.841 475 HG1 THR 57 1HG THR 57 0.516 -1.791 -8.101 476 HG21 THR 57 3HG2 THR 57 -1.897 -1.566 -10.256 477 HG22 THR 57 1HG2 THR 57 -1.811 0.176 -10.013 478 HG23 THR 57 2HG2 THR 57 -3.141 -0.747 -9.313 479 H SER 58 HN SER 58 -2.903 1.958 -8.421 480 HA SER 58 HA SER 58 -0.896 3.465 -9.684 481 HG SER 58 HG SER 58 -3.199 3.632 -11.482 482 HB2 SER 58 2HB SER 58 -3.682 4.336 -8.875 483 HB3 SER 58 1HB SER 58 -2.660 5.109 -10.088 484 H CYS 59 HN CYS 59 -2.700 4.041 -6.669 485 HA CYS 59 HA CYS 59 -1.225 6.361 -5.910 486 HG CYS 59 HG CYS 59 -3.745 6.900 -6.355 487 HB2 CYS 59 2HB CYS 59 -2.907 4.442 -4.285 488 HB3 CYS 59 1HB CYS 59 -2.326 6.002 -3.721 489 H LEU 60 HN LEU 60 -0.902 2.910 -5.315 490 HA LEU 60 HA LEU 60 1.068 3.016 -3.323 491 HG LEU 60 HG LEU 60 -1.306 1.101 -3.893 492 HB2 LEU 60 2HB LEU 60 0.572 0.948 -5.464 493 HB3 LEU 60 1HB LEU 60 1.683 0.726 -4.128 494 HD11 LEU 60 1HD1 LEU 60 -0.702 -1.083 -4.773 495 HD12 LEU 60 2HD1 LEU 60 -1.266 -1.225 -3.108 496 HD13 LEU 60 3HD1 LEU 60 0.459 -1.308 -3.464 497 HD21 LEU 60 3HD2 LEU 60 -0.135 2.091 -1.999 498 HD22 LEU 60 1HD2 LEU 60 0.793 0.606 -1.780 499 HD23 LEU 60 2HD2 LEU 60 -0.952 0.604 -1.515 500 H LYS 61 HN LYS 61 1.330 3.007 -6.855 501 HA LYS 61 HA LYS 61 4.209 3.180 -6.776 502 HB2 LYS 61 2HB LYS 61 2.204 3.339 -9.021 503 HB3 LYS 61 1HB LYS 61 3.925 3.602 -9.276 504 HG2 LYS 61 2HG LYS 61 2.671 1.095 -8.170 505 HG3 LYS 61 1HG LYS 61 3.273 1.312 -9.815 506 HD2 LYS 61 2HD LYS 61 5.525 1.741 -8.904 507 HD3 LYS 61 1HD LYS 61 4.904 1.442 -7.279 508 HE2 LYS 61 2HE LYS 61 4.296 -0.841 -7.941 509 HE3 LYS 61 1HE LYS 61 4.930 -0.535 -9.561 510 HZ1 LYS 61 3HZ LYS 61 6.578 -1.695 -8.310 511 HZ2 LYS 61 1HZ LYS 61 6.471 -0.595 -7.020 512 HZ3 LYS 61 2HZ LYS 61 7.115 -0.097 -8.507 513 H SER 62 HN SER 62 1.545 5.419 -6.886 514 HA SER 62 HA SER 62 3.026 7.706 -7.683 515 HG SER 62 HG SER 62 1.899 9.648 -7.192 516 HB2 SER 62 2HB SER 62 0.542 7.583 -7.683 517 HB3 SER 62 1HB SER 62 0.562 7.544 -5.921 518 H GLY 63 HN GLY 63 2.427 6.093 -4.631 519 HA2 GLY 63 2HA GLY 63 3.576 6.104 -2.661 520 HA3 GLY 63 1HA GLY 63 4.918 6.760 -3.578 521 H LYS 64 HN LYS 64 1.952 8.605 -3.454 522 HA LYS 64 HA LYS 64 3.391 10.445 -1.658 523 HB2 LYS 64 2HB LYS 64 1.936 12.243 -2.609 524 HB3 LYS 64 1HB LYS 64 3.053 11.514 -3.743 525 HG2 LYS 64 2HG LYS 64 1.062 11.810 -4.923 526 HG3 LYS 64 1HG LYS 64 1.117 10.092 -4.533 527 HD2 LYS 64 2HD LYS 64 -0.601 10.256 -2.995 528 HD3 LYS 64 1HD LYS 64 -0.308 11.969 -2.694 529 HE2 LYS 64 2HE LYS 64 -1.397 10.858 -5.273 530 HE3 LYS 64 1HE LYS 64 -2.397 11.497 -3.968 531 HZ1 LYS 64 3HZ LYS 64 -0.346 13.010 -5.502 532 HZ2 LYS 64 1HZ LYS 64 -1.245 13.627 -4.204 533 HZ3 LYS 64 2HZ LYS 64 -2.029 13.181 -5.638 534 H VAL 65 HN VAL 65 1.312 8.148 -1.298 535 HA VAL 65 HA VAL 65 -0.735 9.532 0.226 536 HB VAL 65 HB VAL 65 -1.698 7.313 0.602 537 HG11 VAL 65 1HG1 VAL 65 -2.291 8.499 -1.436 538 HG12 VAL 65 2HG1 VAL 65 -2.227 6.760 -1.735 539 HG13 VAL 65 3HG1 VAL 65 -0.902 7.796 -2.269 540 HG21 VAL 65 3HG2 VAL 65 -0.697 5.324 -0.469 541 HG22 VAL 65 1HG2 VAL 65 0.343 6.002 0.786 542 HG23 VAL 65 2HG2 VAL 65 0.707 6.293 -0.913 543 H LYS 66 HN LYS 66 -1.195 8.887 2.454 544 HA LYS 66 HA LYS 66 1.165 8.808 4.084 545 HB2 LYS 66 2HB LYS 66 -1.786 8.852 4.681 546 HB3 LYS 66 1HB LYS 66 -0.607 8.586 5.954 547 HG2 LYS 66 2HG LYS 66 -1.250 10.905 5.915 548 HG3 LYS 66 1HG LYS 66 0.433 10.753 5.415 549 HD2 LYS 66 2HD LYS 66 -0.212 10.985 3.086 550 HD3 LYS 66 1HD LYS 66 -1.915 11.054 3.542 551 HE2 LYS 66 2HE LYS 66 -1.009 13.283 3.082 552 HE3 LYS 66 1HE LYS 66 -1.520 13.127 4.763 553 HZ1 LYS 66 3HZ LYS 66 0.648 14.258 4.439 554 HZ2 LYS 66 1HZ LYS 66 1.290 12.803 3.849 555 HZ3 LYS 66 2HZ LYS 66 0.737 12.900 5.456 556 H LYS 67 HN LYS 67 1.727 7.117 5.567 557 HA LYS 67 HA LYS 67 0.520 4.519 5.101 558 HB2 LYS 67 2HB LYS 67 2.607 3.520 4.273 559 HB3 LYS 67 1HB LYS 67 2.015 4.772 3.188 560 HG2 LYS 67 2HG LYS 67 3.613 6.337 4.446 561 HG3 LYS 67 1HG LYS 67 4.357 4.858 5.055 562 HD2 LYS 67 2HD LYS 67 4.788 4.117 2.781 563 HD3 LYS 67 1HD LYS 67 3.980 5.551 2.142 564 HE2 LYS 67 2HE LYS 67 5.693 6.904 3.450 565 HE3 LYS 67 1HE LYS 67 6.567 5.389 3.668 566 HZ1 LYS 67 3HZ LYS 67 5.872 6.659 1.077 567 HZ2 LYS 67 1HZ LYS 67 6.656 5.164 1.245 568 HZ3 LYS 67 2HZ LYS 67 7.414 6.589 1.775 569 H TYR 68 HN TYR 68 1.364 2.853 6.435 570 HA TYR 68 HA TYR 68 2.768 3.796 8.839 571 HD1 TYR 68 2HD TYR 68 1.723 3.407 11.309 572 HD2 TYR 68 1HD TYR 68 2.284 -0.444 9.594 573 HE1 TYR 68 2HE TYR 68 2.496 2.557 13.481 574 HE2 TYR 68 1HE TYR 68 3.053 -1.307 11.763 575 HH TYR 68 HH TYR 68 2.610 0.317 14.650 576 HB2 TYR 68 2HB TYR 68 0.581 2.637 9.131 577 HB3 TYR 68 1HB TYR 68 1.243 1.218 8.335 578 H VAL 69 HN VAL 69 3.527 2.730 5.950 579 HA VAL 69 HA VAL 69 5.206 1.616 4.929 580 HB VAL 69 HB VAL 69 6.536 1.509 7.644 581 HG11 VAL 69 1HG1 VAL 69 8.610 1.312 6.365 582 HG12 VAL 69 2HG1 VAL 69 7.683 1.298 4.865 583 HG13 VAL 69 3HG1 VAL 69 7.510 -0.023 6.019 584 HG21 VAL 69 3HG2 VAL 69 6.000 3.815 7.073 585 HG22 VAL 69 1HG2 VAL 69 6.731 3.609 5.480 586 HG23 VAL 69 2HG2 VAL 69 7.736 3.541 6.927 587 H GLY 70 HN GLY 70 3.912 -0.140 4.444 588 HA2 GLY 70 2HA GLY 70 3.982 -2.400 6.322 589 HA3 GLY 70 1HA GLY 70 2.786 -2.172 5.054 590 H GLN 71 HN GLN 71 3.079 -4.127 4.074 591 HA GLN 71 HA GLN 71 5.629 -4.482 2.665 592 HB2 GLN 71 2HB GLN 71 4.193 -6.630 4.240 593 HB3 GLN 71 1HB GLN 71 5.544 -6.919 3.153 594 HG2 GLN 71 2HG GLN 71 7.018 -5.657 4.548 595 HG3 GLN 71 1HG GLN 71 5.677 -5.147 5.575 596 HE21 GLN 71 1HE2 GLN 71 6.605 -6.011 7.404 597 HE22 GLN 71 2HE2 GLN 71 6.672 -7.718 7.699 598 H VAL 72 HN VAL 72 5.449 -5.258 0.644 599 HA VAL 72 HA VAL 72 2.788 -6.147 -0.274 600 HB VAL 72 HB VAL 72 3.522 -5.428 -2.557 601 HG11 VAL 72 1HG1 VAL 72 3.234 -3.010 -2.169 602 HG12 VAL 72 2HG1 VAL 72 3.479 -3.278 -0.442 603 HG13 VAL 72 3HG1 VAL 72 2.079 -3.981 -1.254 604 HG21 VAL 72 3HG2 VAL 72 5.819 -4.144 -1.075 605 HG22 VAL 72 1HG2 VAL 72 5.441 -3.933 -2.783 606 HG23 VAL 72 2HG2 VAL 72 5.944 -5.513 -2.179 607 H SER 73 HN SER 73 4.827 -7.702 1.001 608 HA SER 73 HA SER 73 5.935 -9.667 0.868 609 HG SER 73 HG SER 73 3.236 -10.132 -1.238 610 HB2 SER 73 2HB SER 73 5.130 -9.752 -2.052 611 HB3 SER 73 1HB SER 73 5.788 -11.089 -1.111 612 H GLU 74 HN GLU 74 8.065 -10.309 0.403 613 HA GLU 74 HA GLU 74 9.805 -8.188 -0.208 614 HB2 GLU 74 2HB GLU 74 10.396 -10.103 1.247 615 HB3 GLU 74 1HB GLU 74 10.420 -11.148 -0.168 616 HG2 GLU 74 2HG GLU 74 12.666 -10.502 0.466 617 HG3 GLU 74 1HG GLU 74 12.249 -9.842 -1.113 618 H VAL 75 HN VAL 75 10.150 -7.324 -2.104 619 HA VAL 75 HA VAL 75 10.375 -9.084 -4.456 620 HB VAL 75 HB VAL 75 9.375 -6.220 -4.436 621 HG11 VAL 75 1HG1 VAL 75 9.660 -8.200 -6.698 622 HG12 VAL 75 2HG1 VAL 75 10.595 -6.722 -6.469 623 HG13 VAL 75 3HG1 VAL 75 8.869 -6.626 -6.816 624 HG21 VAL 75 3HG2 VAL 75 7.703 -7.723 -3.520 625 HG22 VAL 75 1HG2 VAL 75 7.880 -8.801 -4.905 626 HG23 VAL 75 2HG2 VAL 75 7.218 -7.179 -5.126 627 H GLY 76 HN GLY 76 11.355 -5.992 -3.004 628 HA2 GLY 76 2HA GLY 76 13.308 -4.797 -3.133 629 HA3 GLY 76 1HA GLY 76 14.096 -6.310 -3.565 630 H SER 77 HN SER 77 15.425 -5.455 -5.127 631 HA SER 77 HA SER 77 14.145 -5.138 -7.697 632 HG SER 77 HG SER 77 13.295 -3.284 -6.544 633 HB2 SER 77 2HB SER 77 15.936 -2.954 -6.586 634 HB3 SER 77 1HB SER 77 15.363 -3.049 -8.251 Start of MODEL 17 1 HA GLN 1 HA GLN 1 -20.033 -16.415 -9.205 2 H1 GLN 1 1HT GLN 1 -17.735 -18.008 -8.222 3 H2 GLN 1 2HT GLN 1 -17.810 -17.136 -9.677 4 H3 GLN 1 3HT GLN 1 -18.813 -18.481 -9.447 5 HB2 GLN 1 2HB GLN 1 -19.668 -17.908 -6.599 6 HB3 GLN 1 1HB GLN 1 -21.029 -16.871 -6.999 7 HG2 GLN 1 2HG GLN 1 -21.575 -18.399 -8.871 8 HG3 GLN 1 1HG GLN 1 -20.282 -19.466 -8.324 9 HE21 GLN 1 1HE2 GLN 1 -20.505 -20.566 -6.383 10 HE22 GLN 1 2HE2 GLN 1 -22.049 -20.787 -5.628 11 H GLY 2 HN GLY 2 -20.125 -14.344 -8.492 12 HA2 GLY 2 2HA GLY 2 -19.115 -13.244 -6.195 13 HA3 GLY 2 1HA GLY 2 -17.757 -13.220 -7.312 14 H HIS 3 HN HIS 3 -21.247 -12.595 -7.603 15 HA HIS 3 HA HIS 3 -20.714 -10.400 -9.392 16 HD1 HIS 3 1HD HIS 3 -25.125 -9.643 -8.697 17 HD2 HIS 3 2HD HIS 3 -22.088 -9.477 -11.538 18 HE1 HIS 3 1HE HIS 3 -25.820 -7.861 -10.337 19 HE2 HIS 3 2HE HIS 3 -23.924 -7.709 -11.995 20 HB2 HIS 3 2HB HIS 3 -22.663 -11.917 -9.726 21 HB3 HIS 3 1HB HIS 3 -23.365 -11.295 -8.235 22 H MET 4 HN MET 4 -19.553 -9.016 -8.058 23 HA MET 4 HA MET 4 -21.299 -7.164 -6.651 24 HB2 MET 4 2HB MET 4 -20.173 -8.770 -4.958 25 HB3 MET 4 1HB MET 4 -18.681 -7.948 -5.368 26 HG2 MET 4 2HG MET 4 -21.130 -6.580 -4.283 27 HG3 MET 4 1HG MET 4 -19.768 -7.115 -3.307 28 HE1 MET 4 3HE MET 4 -20.857 -4.181 -3.188 29 HE2 MET 4 1HE MET 4 -19.372 -3.233 -3.249 30 HE3 MET 4 2HE MET 4 -19.437 -4.706 -2.280 31 H ILE 5 HN ILE 5 -20.940 -6.050 -8.639 32 HA ILE 5 HA ILE 5 -18.264 -4.836 -8.808 33 HB ILE 5 HB ILE 5 -19.984 -5.586 -11.184 34 HG12 ILE 5 2HG1 ILE 5 -17.806 -6.930 -11.719 35 HG13 ILE 5 1HG1 ILE 5 -17.509 -6.804 -9.991 36 HG21 ILE 5 1HG2 ILE 5 -18.099 -4.788 -12.536 37 HG22 ILE 5 2HG2 ILE 5 -17.270 -4.270 -11.068 38 HG23 ILE 5 3HG2 ILE 5 -18.785 -3.500 -11.543 39 HD11 ILE 5 3HD1 ILE 5 -18.553 -8.915 -10.556 40 HD12 ILE 5 1HD1 ILE 5 -19.918 -8.062 -11.277 41 HD13 ILE 5 2HD1 ILE 5 -19.619 -7.943 -9.541 42 H MET 6 HN MET 6 -19.048 -3.089 -7.599 43 HA MET 6 HA MET 6 -20.967 -1.335 -8.894 44 HB2 MET 6 2HB MET 6 -20.769 -1.498 -6.381 45 HB3 MET 6 1HB MET 6 -19.175 -0.773 -6.514 46 HG2 MET 6 2HG MET 6 -21.647 0.590 -7.537 47 HG3 MET 6 1HG MET 6 -21.098 0.754 -5.871 48 HE1 MET 6 3HE MET 6 -20.147 4.206 -7.462 49 HE2 MET 6 1HE MET 6 -21.018 3.392 -6.164 50 HE3 MET 6 2HE MET 6 -21.563 3.226 -7.831 51 H ALA 7 HN ALA 7 -17.593 -1.059 -7.825 52 HA ALA 7 HA ALA 7 -16.679 -0.330 -10.439 53 HB1 ALA 7 1HB ALA 7 -17.559 1.837 -9.724 54 HB2 ALA 7 2HB ALA 7 -15.800 1.876 -9.847 55 HB3 ALA 7 3HB ALA 7 -16.570 1.764 -8.265 56 H LYS 8 HN LYS 8 -16.067 -0.476 -6.984 57 HA LYS 8 HA LYS 8 -14.323 -1.135 -5.715 58 HB2 LYS 8 2HB LYS 8 -13.415 -2.426 -8.282 59 HB3 LYS 8 1HB LYS 8 -12.498 -2.538 -6.789 60 HG2 LYS 8 2HG LYS 8 -14.594 -3.520 -5.746 61 HG3 LYS 8 1HG LYS 8 -15.212 -3.661 -7.396 62 HD2 LYS 8 2HD LYS 8 -13.273 -5.018 -8.012 63 HD3 LYS 8 1HD LYS 8 -12.639 -4.864 -6.375 64 HE2 LYS 8 2HE LYS 8 -13.683 -6.997 -6.546 65 HE3 LYS 8 1HE LYS 8 -14.714 -5.977 -5.548 66 HZ1 LYS 8 3HZ LYS 8 -15.648 -7.441 -7.526 67 HZ2 LYS 8 1HZ LYS 8 -15.281 -6.041 -8.414 68 HZ3 LYS 8 2HZ LYS 8 -16.349 -5.956 -7.100 69 H ARG 9 HN ARG 9 -13.648 0.891 -5.241 70 HA ARG 9 HA ARG 9 -11.428 1.945 -6.864 71 HE ARG 9 HE ARG 9 -16.430 4.327 -4.509 72 HB2 ARG 9 2HB ARG 9 -12.297 4.229 -6.392 73 HB3 ARG 9 1HB ARG 9 -13.376 3.268 -7.394 74 HG2 ARG 9 2HG ARG 9 -14.774 2.796 -5.450 75 HG3 ARG 9 1HG ARG 9 -13.686 3.745 -4.434 76 HD2 ARG 9 2HD ARG 9 -14.187 5.741 -5.717 77 HD3 ARG 9 1HD ARG 9 -15.209 4.806 -6.808 78 HH11 ARG 9 1HH1 ARG 9 -15.160 7.337 -5.767 79 HH12 ARG 9 2HH1 ARG 9 -16.341 8.323 -4.969 80 HH21 ARG 9 1HH2 ARG 9 -17.998 5.632 -3.459 81 HH22 ARG 9 2HH2 ARG 9 -17.943 7.362 -3.658 82 H CYS 10 HN CYS 10 -10.002 3.400 -5.698 83 HA CYS 10 HA CYS 10 -9.275 2.520 -3.123 84 HG CYS 10 HG CYS 10 -7.329 3.750 -1.685 85 HB2 CYS 10 2HB CYS 10 -7.684 3.622 -4.639 86 HB3 CYS 10 1HB CYS 10 -8.602 5.120 -4.526 87 H GLU 11 HN GLU 11 -9.776 3.232 -1.130 88 HA GLU 11 HA GLU 11 -12.208 4.782 -0.908 89 HB2 GLU 11 2HB GLU 11 -10.503 3.486 1.228 90 HB3 GLU 11 1HB GLU 11 -12.103 4.177 1.475 91 HG2 GLU 11 2HG GLU 11 -13.056 2.532 -0.047 92 HG3 GLU 11 1HG GLU 11 -11.458 1.842 -0.315 93 H VAL 12 HN VAL 12 -9.155 5.700 -1.314 94 HA VAL 12 HA VAL 12 -9.301 7.935 0.589 95 HB VAL 12 HB VAL 12 -6.902 6.896 -0.930 96 HG11 VAL 12 1HG1 VAL 12 -5.597 8.369 0.542 97 HG12 VAL 12 2HG1 VAL 12 -7.091 8.980 1.249 98 HG13 VAL 12 3HG1 VAL 12 -6.731 9.289 -0.449 99 HG21 VAL 12 3HG2 VAL 12 -7.605 5.295 0.750 100 HG22 VAL 12 1HG2 VAL 12 -7.683 6.569 1.967 101 HG23 VAL 12 2HG2 VAL 12 -6.130 6.102 1.279 102 H CYS 13 HN CYS 13 -8.121 7.267 -2.719 103 HA CYS 13 HA CYS 13 -8.527 10.087 -3.377 104 HG CYS 13 HG CYS 13 -7.810 11.119 -5.640 105 HB2 CYS 13 2HB CYS 13 -6.329 8.970 -3.852 106 HB3 CYS 13 1HB CYS 13 -7.157 7.947 -5.024 107 H GLY 14 HN GLY 14 -9.996 7.042 -3.861 108 HA2 GLY 14 2HA GLY 14 -12.100 6.684 -4.802 109 HA3 GLY 14 1HA GLY 14 -12.013 8.270 -5.547 110 H LYS 15 HN LYS 15 -9.150 7.002 -6.331 111 HA LYS 15 HA LYS 15 -9.954 6.407 -9.012 112 HB2 LYS 15 2HB LYS 15 -7.264 6.234 -7.641 113 HB3 LYS 15 1HB LYS 15 -7.515 5.923 -9.354 114 HG2 LYS 15 2HG LYS 15 -8.386 8.220 -9.607 115 HG3 LYS 15 1HG LYS 15 -8.009 8.514 -7.907 116 HD2 LYS 15 2HD LYS 15 -5.659 8.153 -8.316 117 HD3 LYS 15 1HD LYS 15 -5.988 7.671 -9.981 118 HE2 LYS 15 2HE LYS 15 -6.529 10.399 -8.814 119 HE3 LYS 15 1HE LYS 15 -5.141 9.976 -9.817 120 HZ1 LYS 15 3HZ LYS 15 -7.995 9.871 -10.649 121 HZ2 LYS 15 1HZ LYS 15 -6.680 9.411 -11.615 122 HZ3 LYS 15 2HZ LYS 15 -6.851 11.026 -11.134 123 H ALA 16 HN ALA 16 -9.902 4.464 -10.095 124 HA ALA 16 HA ALA 16 -10.264 2.126 -8.418 125 HB1 ALA 16 1HB ALA 16 -10.565 2.459 -11.399 126 HB2 ALA 16 2HB ALA 16 -11.859 2.563 -10.206 127 HB3 ALA 16 3HB ALA 16 -11.023 1.034 -10.468 128 HA PRO 17 HA PRO 17 -6.213 0.504 -9.372 129 HB2 PRO 17 2HB PRO 17 -6.458 -1.909 -8.265 130 HB3 PRO 17 1HB PRO 17 -6.503 -0.446 -7.273 131 HG2 PRO 17 2HG PRO 17 -8.759 -2.158 -8.229 132 HG3 PRO 17 1HG PRO 17 -8.516 -1.408 -6.641 133 HD2 PRO 17 2HD PRO 17 -10.121 -0.383 -8.648 134 HD3 PRO 17 1HD PRO 17 -9.442 0.559 -7.309 135 H ARG 18 HN ARG 18 -8.994 -0.397 -10.947 136 HA ARG 18 HA ARG 18 -9.519 -1.629 -12.783 137 HE ARG 18 HE ARG 18 -8.022 -0.654 -16.401 138 HB2 ARG 18 2HB ARG 18 -6.523 -1.690 -13.221 139 HB3 ARG 18 1HB ARG 18 -7.748 -2.065 -14.426 140 HG2 ARG 18 2HG ARG 18 -8.584 0.251 -14.247 141 HG3 ARG 18 1HG ARG 18 -7.278 0.606 -13.116 142 HD2 ARG 18 2HD ARG 18 -6.647 1.356 -15.310 143 HD3 ARG 18 1HD ARG 18 -5.650 -0.029 -14.869 144 HH11 ARG 18 1HH1 ARG 18 -4.607 0.123 -16.508 145 HH12 ARG 18 2HH1 ARG 18 -4.376 -0.590 -18.077 146 HH21 ARG 18 1HH2 ARG 18 -7.712 -1.572 -18.460 147 HH22 ARG 18 2HH2 ARG 18 -6.133 -1.532 -19.195 148 H SER 19 HN SER 19 -8.290 -3.818 -14.018 149 HA SER 19 HA SER 19 -8.149 -5.756 -11.802 150 HG SER 19 HG SER 19 -10.463 -5.477 -12.302 151 HB2 SER 19 2HB SER 19 -9.109 -6.296 -14.623 152 HB3 SER 19 1HB SER 19 -9.190 -7.392 -13.242 153 H GLY 20 HN GLY 20 -6.127 -6.448 -11.528 154 HA2 GLY 20 2HA GLY 20 -4.634 -7.471 -13.786 155 HA3 GLY 20 1HA GLY 20 -3.915 -6.067 -13.009 156 H ASN 21 HN ASN 21 -2.230 -7.921 -12.819 157 HA ASN 21 HA ASN 21 -2.384 -8.856 -10.072 158 HB2 ASN 21 2HB ASN 21 -3.342 -10.700 -11.495 159 HB3 ASN 21 1HB ASN 21 -1.792 -10.800 -12.321 160 HD21 ASN 21 1HD2 ASN 21 -3.503 -11.374 -9.343 161 HD22 ASN 21 2HD2 ASN 21 -2.299 -12.405 -8.625 162 H THR 22 HN THR 22 -0.245 -9.549 -9.280 163 HA THR 22 HA THR 22 1.784 -7.832 -10.358 164 HB THR 22 HB THR 22 1.528 -8.125 -7.926 165 HG1 THR 22 1HG THR 22 3.936 -8.622 -9.268 166 HG21 THR 22 3HG2 THR 22 0.935 -10.495 -7.872 167 HG22 THR 22 1HG2 THR 22 2.331 -10.180 -6.844 168 HG23 THR 22 2HG2 THR 22 2.553 -10.926 -8.425 169 H VAL 23 HN VAL 23 0.842 -10.989 -10.943 170 HA VAL 23 HA VAL 23 1.479 -12.580 -12.357 171 HB VAL 23 HB VAL 23 2.072 -10.489 -13.772 172 HG11 VAL 23 1HG1 VAL 23 4.370 -10.376 -14.542 173 HG12 VAL 23 2HG1 VAL 23 4.836 -11.625 -13.385 174 HG13 VAL 23 3HG1 VAL 23 4.278 -10.052 -12.812 175 HG21 VAL 23 3HG2 VAL 23 1.474 -12.637 -14.680 176 HG22 VAL 23 1HG2 VAL 23 3.111 -13.239 -14.419 177 HG23 VAL 23 2HG2 VAL 23 2.821 -11.953 -15.594 178 H SER 24 HN SER 24 4.258 -11.173 -10.669 179 HA SER 24 HA SER 24 5.829 -13.562 -10.975 180 HG SER 24 HG SER 24 8.538 -12.224 -10.081 181 HB2 SER 24 2HB SER 24 6.825 -11.275 -10.805 182 HB3 SER 24 1HB SER 24 6.300 -11.214 -9.124 183 H HIS 25 HN HIS 25 4.971 -15.303 -10.046 184 HA HIS 25 HA HIS 25 5.269 -15.764 -7.320 185 HD1 HIS 25 1HD HIS 25 1.160 -17.088 -8.350 186 HD2 HIS 25 2HD HIS 25 2.021 -13.051 -8.887 187 HE1 HIS 25 1HE HIS 25 -0.622 -16.207 -9.890 188 HE2 HIS 25 2HE HIS 25 -0.179 -13.731 -10.060 189 HB2 HIS 25 2HB HIS 25 2.874 -16.092 -6.643 190 HB3 HIS 25 1HB HIS 25 3.342 -14.411 -6.853 191 H SER 26 HN SER 26 5.481 -17.888 -7.046 192 HA SER 26 HA SER 26 4.750 -19.616 -9.274 193 HG SER 26 HG SER 26 7.298 -19.716 -9.363 194 HB2 SER 26 2HB SER 26 6.305 -20.269 -6.757 195 HB3 SER 26 1HB SER 26 6.174 -21.279 -8.197 196 H ASP 27 HN ASP 27 4.526 -19.939 -5.720 197 HA ASP 27 HA ASP 27 1.759 -20.769 -5.906 198 HB2 ASP 27 2HB ASP 27 2.996 -22.862 -6.375 199 HB3 ASP 27 1HB ASP 27 3.871 -22.678 -4.860 200 H LYS 28 HN LYS 28 1.035 -19.321 -4.441 201 HA LYS 28 HA LYS 28 2.000 -19.604 -1.694 202 HB2 LYS 28 2HB LYS 28 1.999 -17.035 -3.249 203 HB3 LYS 28 1HB LYS 28 1.815 -17.031 -1.501 204 HG2 LYS 28 2HG LYS 28 3.970 -18.309 -1.372 205 HG3 LYS 28 1HG LYS 28 4.163 -18.005 -3.101 206 HD2 LYS 28 2HD LYS 28 4.171 -15.626 -2.740 207 HD3 LYS 28 1HD LYS 28 3.784 -15.842 -1.031 208 HE2 LYS 28 2HE LYS 28 5.935 -17.049 -0.753 209 HE3 LYS 28 1HE LYS 28 6.322 -16.671 -2.433 210 HZ1 LYS 28 3HZ LYS 28 5.793 -14.650 -0.319 211 HZ2 LYS 28 1HZ LYS 28 6.270 -14.338 -1.917 212 HZ3 LYS 28 2HZ LYS 28 7.335 -15.117 -0.857 213 H LYS 29 HN LYS 29 -0.347 -18.050 -3.856 214 HA LYS 29 HA LYS 29 -2.526 -17.461 -3.634 215 HB2 LYS 29 2HB LYS 29 -2.955 -19.731 -2.832 216 HB3 LYS 29 1HB LYS 29 -2.489 -19.265 -1.203 217 HG2 LYS 29 2HG LYS 29 -4.391 -17.712 -1.120 218 HG3 LYS 29 1HG LYS 29 -4.865 -18.232 -2.739 219 HD2 LYS 29 2HD LYS 29 -4.629 -20.058 -0.347 220 HD3 LYS 29 1HD LYS 29 -6.141 -19.359 -0.931 221 HE2 LYS 29 2HE LYS 29 -5.938 -20.524 -3.023 222 HE3 LYS 29 1HE LYS 29 -4.325 -21.095 -2.595 223 HZ1 LYS 29 3HZ LYS 29 -6.794 -21.807 -1.105 224 HZ2 LYS 29 1HZ LYS 29 -5.239 -22.448 -0.875 225 HZ3 LYS 29 2HZ LYS 29 -6.081 -22.781 -2.303 226 H SER 30 HN SER 30 -1.073 -17.616 -0.406 227 HA SER 30 HA SER 30 -0.620 -16.061 1.150 228 HG SER 30 HG SER 30 0.456 -15.150 -1.693 229 HB2 SER 30 2HB SER 30 -1.283 -14.039 -1.001 230 HB3 SER 30 1HB SER 30 -0.472 -13.691 0.527 231 H GLU 31 HN GLU 31 -2.494 -16.929 2.229 232 HA GLU 31 HA GLU 31 -4.898 -15.366 2.276 233 HB2 GLU 31 2HB GLU 31 -4.907 -17.725 2.971 234 HB3 GLU 31 1HB GLU 31 -3.809 -17.349 4.289 235 HG2 GLU 31 2HG GLU 31 -6.131 -17.622 5.026 236 HG3 GLU 31 1HG GLU 31 -5.490 -16.020 5.379 237 H ARG 32 HN ARG 32 -3.988 -13.322 2.391 238 HA ARG 32 HA ARG 32 -3.310 -12.404 5.093 239 HE ARG 32 HE ARG 32 0.930 -12.375 3.673 240 HB2 ARG 32 2HB ARG 32 -1.246 -12.805 3.543 241 HB3 ARG 32 1HB ARG 32 -1.816 -11.386 2.679 242 HG2 ARG 32 2HG ARG 32 -1.719 -10.168 4.902 243 HG3 ARG 32 1HG ARG 32 -0.824 -11.566 5.505 244 HD2 ARG 32 2HD ARG 32 -0.052 -9.660 3.306 245 HD3 ARG 32 1HD ARG 32 0.806 -9.997 4.808 246 HH11 ARG 32 1HH1 ARG 32 1.446 -9.210 2.258 247 HH12 ARG 32 2HH1 ARG 32 2.483 -9.802 0.999 248 HH21 ARG 32 1HH2 ARG 32 2.316 -13.150 1.998 249 HH22 ARG 32 2HH2 ARG 32 2.991 -12.026 0.857 250 H TRP 33 HN TRP 33 -5.691 -11.986 4.578 251 HA TRP 33 HA TRP 33 -7.447 -10.802 3.805 252 HD1 TRP 33 1HD TRP 33 -8.798 -8.188 5.252 253 HE1 TRP 33 1HE TRP 33 -8.560 -8.056 7.812 254 HE3 TRP 33 3HE TRP 33 -3.884 -9.493 5.663 255 HZ2 TRP 33 2HZ TRP 33 -6.536 -8.442 9.751 256 HZ3 TRP 33 3HZ TRP 33 -2.864 -9.588 7.903 257 HH2 TRP 33 2HH TRP 33 -4.166 -9.075 9.906 258 HB2 TRP 33 2HB TRP 33 -5.362 -8.624 3.705 259 HB3 TRP 33 1HB TRP 33 -7.049 -8.339 3.283 260 H PHE 34 HN PHE 34 -7.618 -12.199 2.033 261 HA PHE 34 HA PHE 34 -6.080 -11.883 -0.332 262 HD1 PHE 34 1HD PHE 34 -5.434 -14.467 -1.357 263 HD2 PHE 34 2HD PHE 34 -9.434 -13.320 -2.257 264 HE1 PHE 34 1HE PHE 34 -5.142 -15.271 -3.665 265 HE2 PHE 34 2HE PHE 34 -9.145 -14.118 -4.566 266 HZ PHE 34 HZ PHE 34 -6.999 -15.097 -5.272 267 HB2 PHE 34 2HB PHE 34 -7.100 -14.035 0.412 268 HB3 PHE 34 1HB PHE 34 -8.683 -13.387 -0.001 269 H ARG 35 HN ARG 35 -6.319 -10.526 -1.923 270 HA ARG 35 HA ARG 35 -8.942 -9.310 -2.410 271 HE ARG 35 HE ARG 35 -3.308 -8.046 -2.512 272 HB2 ARG 35 2HB ARG 35 -7.894 -7.123 -2.771 273 HB3 ARG 35 1HB ARG 35 -7.580 -7.699 -1.142 274 HG2 ARG 35 2HG ARG 35 -5.596 -8.020 -3.376 275 HG3 ARG 35 1HG ARG 35 -5.651 -6.593 -2.341 276 HD2 ARG 35 2HD ARG 35 -5.269 -7.976 -0.382 277 HD3 ARG 35 1HD ARG 35 -5.298 -9.430 -1.375 278 HH11 ARG 35 1HH1 ARG 35 -4.000 -8.808 0.846 279 HH12 ARG 35 2HH1 ARG 35 -2.331 -8.746 1.331 280 HH21 ARG 35 1HH2 ARG 35 -1.117 -7.969 -1.869 281 HH22 ARG 35 2HH2 ARG 35 -0.687 -8.309 -0.222 282 HA PRO 36 HA PRO 36 -7.930 -10.392 -6.585 283 HB2 PRO 36 2HB PRO 36 -9.973 -8.605 -7.568 284 HB3 PRO 36 1HB PRO 36 -10.016 -10.363 -7.445 285 HG2 PRO 36 2HG PRO 36 -11.564 -8.682 -5.936 286 HG3 PRO 36 1HG PRO 36 -11.103 -10.319 -5.438 287 HD2 PRO 36 2HD PRO 36 -9.944 -7.689 -4.617 288 HD3 PRO 36 1HD PRO 36 -10.236 -9.148 -3.645 289 H ASN 37 HN ASN 37 -8.410 -6.982 -5.764 290 HA ASN 37 HA ASN 37 -6.222 -6.225 -7.503 291 HB2 ASN 37 2HB ASN 37 -7.539 -4.576 -8.774 292 HB3 ASN 37 1HB ASN 37 -8.095 -6.218 -9.062 293 HD21 ASN 37 1HD2 ASN 37 -9.492 -3.715 -9.462 294 HD22 ASN 37 2HD2 ASN 37 -10.926 -3.797 -8.493 295 H LEU 38 HN LEU 38 -8.865 -4.992 -5.462 296 HA LEU 38 HA LEU 38 -7.539 -2.553 -4.834 297 HG LEU 38 HG LEU 38 -10.087 -2.117 -5.619 298 HB2 LEU 38 2HB LEU 38 -9.981 -3.966 -3.970 299 HB3 LEU 38 1HB LEU 38 -9.292 -2.860 -2.802 300 HD11 LEU 38 1HD1 LEU 38 -11.452 -1.551 -2.987 301 HD12 LEU 38 2HD1 LEU 38 -12.025 -2.661 -4.232 302 HD13 LEU 38 3HD1 LEU 38 -11.942 -0.932 -4.563 303 HD21 LEU 38 3HD2 LEU 38 -8.265 -0.755 -4.759 304 HD22 LEU 38 1HD2 LEU 38 -9.178 -0.439 -3.283 305 HD23 LEU 38 2HD2 LEU 38 -9.759 0.182 -4.827 306 H GLN 39 HN GLN 39 -5.750 -2.402 -3.673 307 HA GLN 39 HA GLN 39 -5.022 -4.460 -1.774 308 HB2 GLN 39 2HB GLN 39 -3.680 -2.054 -2.936 309 HB3 GLN 39 1HB GLN 39 -3.029 -2.790 -1.478 310 HG2 GLN 39 2HG GLN 39 -3.610 -4.519 -3.825 311 HG3 GLN 39 1HG GLN 39 -2.176 -3.493 -3.852 312 HE21 GLN 39 1HE2 GLN 39 -3.359 -4.716 -0.836 313 HE22 GLN 39 2HE2 GLN 39 -2.110 -5.881 -0.581 314 H LYS 40 HN LYS 40 -6.308 -4.318 0.020 315 HA LYS 40 HA LYS 40 -6.630 -1.835 1.418 316 HB2 LYS 40 2HB LYS 40 -8.342 -3.439 1.835 317 HB3 LYS 40 1HB LYS 40 -7.172 -4.702 2.202 318 HG2 LYS 40 2HG LYS 40 -6.691 -3.826 4.300 319 HG3 LYS 40 1HG LYS 40 -7.329 -2.235 3.889 320 HD2 LYS 40 2HD LYS 40 -9.075 -4.679 4.054 321 HD3 LYS 40 1HD LYS 40 -8.730 -3.663 5.456 322 HE2 LYS 40 2HE LYS 40 -9.609 -1.716 4.224 323 HE3 LYS 40 1HE LYS 40 -10.018 -2.777 2.878 324 HZ1 LYS 40 3HZ LYS 40 -11.100 -3.073 5.629 325 HZ2 LYS 40 1HZ LYS 40 -11.580 -3.932 4.246 326 HZ3 LYS 40 2HZ LYS 40 -11.901 -2.271 4.365 327 H VAL 41 HN VAL 41 -4.984 -0.862 2.296 328 HA VAL 41 HA VAL 41 -2.902 -2.498 3.576 329 HB VAL 41 HB VAL 41 -1.270 -0.720 3.002 330 HG11 VAL 41 1HG1 VAL 41 -2.682 -1.973 0.651 331 HG12 VAL 41 2HG1 VAL 41 -1.411 -2.714 1.624 332 HG13 VAL 41 3HG1 VAL 41 -1.050 -1.305 0.625 333 HG21 VAL 41 3HG2 VAL 41 -1.852 0.906 1.241 334 HG22 VAL 41 1HG2 VAL 41 -2.771 1.159 2.725 335 HG23 VAL 41 2HG2 VAL 41 -3.530 0.379 1.341 336 H ARG 42 HN ARG 42 -1.765 -1.451 5.304 337 HA ARG 42 HA ARG 42 -3.550 0.109 6.972 338 HE ARG 42 HE ARG 42 -1.461 0.271 11.684 339 HB2 ARG 42 2HB ARG 42 -2.382 -1.811 7.934 340 HB3 ARG 42 1HB ARG 42 -0.830 -1.135 7.470 341 HG2 ARG 42 2HG ARG 42 -1.178 0.718 9.032 342 HG3 ARG 42 1HG ARG 42 -2.726 0.011 9.511 343 HD2 ARG 42 2HD ARG 42 -1.586 -2.000 10.279 344 HD3 ARG 42 1HD ARG 42 -0.041 -1.341 9.751 345 HH11 ARG 42 1HH1 ARG 42 0.878 -2.275 11.166 346 HH12 ARG 42 2HH1 ARG 42 1.648 -2.062 12.712 347 HH21 ARG 42 1HH2 ARG 42 -0.474 0.545 13.733 348 HH22 ARG 42 2HH2 ARG 42 0.872 -0.454 14.171 349 H VAL 43 HN VAL 43 -3.483 2.257 6.950 350 HA VAL 43 HA VAL 43 -0.945 3.582 6.240 351 HB VAL 43 HB VAL 43 -2.277 5.400 5.193 352 HG11 VAL 43 1HG1 VAL 43 -2.782 4.207 3.117 353 HG12 VAL 43 2HG1 VAL 43 -2.677 2.669 3.978 354 HG13 VAL 43 3HG1 VAL 43 -1.245 3.688 3.812 355 HG21 VAL 43 3HG2 VAL 43 -4.584 3.479 5.496 356 HG22 VAL 43 1HG2 VAL 43 -4.610 4.982 4.576 357 HG23 VAL 43 2HG2 VAL 43 -4.400 5.022 6.326 358 H VAL 44 HN VAL 44 -0.663 5.708 7.129 359 HA VAL 44 HA VAL 44 -2.002 5.982 9.715 360 HB VAL 44 HB VAL 44 0.480 5.991 9.700 361 HG11 VAL 44 1HG1 VAL 44 0.875 7.065 7.564 362 HG12 VAL 44 2HG1 VAL 44 1.687 7.946 8.858 363 HG13 VAL 44 3HG1 VAL 44 0.187 8.570 8.175 364 HG21 VAL 44 3HG2 VAL 44 -0.719 7.081 11.505 365 HG22 VAL 44 1HG2 VAL 44 -0.794 8.577 10.574 366 HG23 VAL 44 2HG2 VAL 44 0.762 7.963 11.130 367 H LEU 45 HN LEU 45 -3.221 7.725 10.236 368 HA LEU 45 HA LEU 45 -4.085 9.445 8.066 369 HG LEU 45 HG LEU 45 -5.706 7.268 9.650 370 HB2 LEU 45 2HB LEU 45 -4.970 9.187 10.944 371 HB3 LEU 45 1HB LEU 45 -5.698 10.283 9.791 372 HD11 LEU 45 1HD1 LEU 45 -7.249 8.155 11.295 373 HD12 LEU 45 2HD1 LEU 45 -8.129 7.525 9.903 374 HD13 LEU 45 3HD1 LEU 45 -7.919 9.264 10.099 375 HD21 LEU 45 3HD2 LEU 45 -5.518 8.219 7.414 376 HD22 LEU 45 1HD2 LEU 45 -6.887 9.281 7.737 377 HD23 LEU 45 2HD2 LEU 45 -7.122 7.535 7.673 378 HA PRO 46 HA PRO 46 -1.587 12.968 8.902 379 HB2 PRO 46 2HB PRO 46 -3.524 14.965 8.961 380 HB3 PRO 46 1HB PRO 46 -2.740 14.339 7.508 381 HG2 PRO 46 2HG PRO 46 -5.394 13.640 8.685 382 HG3 PRO 46 1HG PRO 46 -4.933 13.822 6.982 383 HD2 PRO 46 2HD PRO 46 -5.244 11.405 8.077 384 HD3 PRO 46 1HD PRO 46 -3.954 11.713 6.894 385 H ASP 47 HN ASP 47 -4.387 12.400 10.914 386 HA ASP 47 HA ASP 47 -3.636 14.277 12.955 387 HB2 ASP 47 2HB ASP 47 -5.989 13.722 12.606 388 HB3 ASP 47 1HB ASP 47 -5.663 12.033 12.985 389 H GLY 48 HN GLY 48 -2.809 11.031 12.186 390 HA2 GLY 48 2HA GLY 48 -0.874 10.091 13.323 391 HA3 GLY 48 1HA GLY 48 -1.499 10.773 14.820 392 H THR 49 HN THR 49 -4.151 9.691 13.300 393 HA THR 49 HA THR 49 -4.282 7.276 14.852 394 HB THR 49 HB THR 49 -6.331 8.043 12.803 395 HG1 THR 49 1HG THR 49 -5.644 9.451 15.150 396 HG21 THR 49 3HG2 THR 49 -6.660 5.996 14.089 397 HG22 THR 49 1HG2 THR 49 -7.871 7.203 14.526 398 HG23 THR 49 2HG2 THR 49 -6.500 6.902 15.595 399 H ILE 50 HN ILE 50 -4.882 5.200 13.816 400 HA ILE 50 HA ILE 50 -3.601 4.924 11.173 401 HB ILE 50 HB ILE 50 -3.505 2.895 13.415 402 HG12 ILE 50 2HG1 ILE 50 -1.287 4.676 12.375 403 HG13 ILE 50 1HG1 ILE 50 -2.168 4.964 13.870 404 HG21 ILE 50 1HG2 ILE 50 -1.862 1.761 11.985 405 HG22 ILE 50 2HG2 ILE 50 -2.112 2.984 10.739 406 HG23 ILE 50 3HG2 ILE 50 -3.431 1.903 11.189 407 HD11 ILE 50 3HD1 ILE 50 -1.345 2.839 14.751 408 HD12 ILE 50 1HD1 ILE 50 -0.029 3.927 14.308 409 HD13 ILE 50 2HD1 ILE 50 -0.448 2.576 13.256 410 H LYS 51 HN LYS 51 -4.722 3.844 9.647 411 HA LYS 51 HA LYS 51 -6.922 2.092 10.456 412 HB2 LYS 51 2HB LYS 51 -7.165 4.497 8.667 413 HB3 LYS 51 1HB LYS 51 -8.254 3.128 8.493 414 HG2 LYS 51 2HG LYS 51 -8.975 3.410 10.815 415 HG3 LYS 51 1HG LYS 51 -7.892 4.795 10.975 416 HD2 LYS 51 2HD LYS 51 -9.122 6.012 9.296 417 HD3 LYS 51 1HD LYS 51 -10.136 4.605 8.968 418 HE2 LYS 51 2HE LYS 51 -9.997 6.039 11.617 419 HE3 LYS 51 1HE LYS 51 -11.233 6.320 10.392 420 HZ1 LYS 51 3HZ LYS 51 -11.929 4.776 12.163 421 HZ2 LYS 51 1HZ LYS 51 -10.717 3.693 11.684 422 HZ3 LYS 51 2HZ LYS 51 -11.984 4.070 10.620 423 H ARG 52 HN ARG 52 -7.727 0.788 8.621 424 HA ARG 52 HA ARG 52 -5.628 0.327 6.600 425 HE ARG 52 HE ARG 52 -4.725 -2.427 10.974 426 HB2 ARG 52 2HB ARG 52 -7.461 -1.794 7.726 427 HB3 ARG 52 1HB ARG 52 -6.053 -2.027 6.700 428 HG2 ARG 52 2HG ARG 52 -4.590 -1.317 8.495 429 HG3 ARG 52 1HG ARG 52 -5.990 -1.003 9.529 430 HD2 ARG 52 2HD ARG 52 -6.609 -3.438 9.098 431 HD3 ARG 52 1HD ARG 52 -4.963 -3.626 8.500 432 HH11 ARG 52 1HH1 ARG 52 -6.025 -5.428 9.721 433 HH12 ARG 52 2HH1 ARG 52 -5.719 -6.322 11.179 434 HH21 ARG 52 1HH2 ARG 52 -4.325 -3.589 12.886 435 HH22 ARG 52 2HH2 ARG 52 -4.757 -5.266 12.987 436 H MET 53 HN MET 53 -6.338 0.720 4.605 437 HA MET 53 HA MET 53 -9.189 0.371 4.010 438 HB2 MET 53 2HB MET 53 -7.664 2.949 3.669 439 HB3 MET 53 1HB MET 53 -9.168 2.613 2.826 440 HG2 MET 53 2HG MET 53 -10.293 2.341 5.003 441 HG3 MET 53 1HG MET 53 -8.784 2.762 5.805 442 HE1 MET 53 3HE MET 53 -8.267 6.471 4.630 443 HE2 MET 53 1HE MET 53 -7.640 5.003 3.872 444 HE3 MET 53 2HE MET 53 -7.634 5.165 5.630 445 H ARG 54 HN ARG 54 -9.686 0.664 1.687 446 HA ARG 54 HA ARG 54 -7.835 -0.900 0.126 447 HE ARG 54 HE ARG 54 -11.170 -3.648 1.348 448 HB2 ARG 54 2HB ARG 54 -10.419 0.450 -0.683 449 HB3 ARG 54 1HB ARG 54 -9.540 -0.731 -1.641 450 HG2 ARG 54 2HG ARG 54 -10.678 -1.299 1.079 451 HG3 ARG 54 1HG ARG 54 -11.524 -1.627 -0.433 452 HD2 ARG 54 2HD ARG 54 -9.757 -3.142 -1.116 453 HD3 ARG 54 1HD ARG 54 -8.838 -2.761 0.338 454 HH11 ARG 54 1HH1 ARG 54 -9.064 -4.996 -1.118 455 HH12 ARG 54 2HH1 ARG 54 -9.449 -6.637 -0.704 456 HH21 ARG 54 1HH2 ARG 54 -11.623 -5.817 1.907 457 HH22 ARG 54 2HH2 ARG 54 -10.898 -7.104 0.979 458 H VAL 55 HN VAL 55 -6.182 -0.092 -0.962 459 HA VAL 55 HA VAL 55 -6.498 2.559 -2.210 460 HB VAL 55 HB VAL 55 -3.903 1.459 -1.110 461 HG11 VAL 55 1HG1 VAL 55 -3.034 3.698 -1.538 462 HG12 VAL 55 2HG1 VAL 55 -4.590 4.176 -2.216 463 HG13 VAL 55 3HG1 VAL 55 -3.619 2.944 -3.022 464 HG21 VAL 55 3HG2 VAL 55 -4.088 3.191 0.621 465 HG22 VAL 55 1HG2 VAL 55 -5.398 2.012 0.726 466 HG23 VAL 55 2HG2 VAL 55 -5.698 3.604 0.025 467 H CYS 56 HN CYS 56 -5.863 2.700 -4.325 468 HA CYS 56 HA CYS 56 -5.400 0.230 -5.718 469 HG CYS 56 HG CYS 56 -5.669 4.322 -7.945 470 HB2 CYS 56 2HB CYS 56 -5.310 1.688 -7.745 471 HB3 CYS 56 1HB CYS 56 -6.778 1.879 -6.796 472 H THR 57 HN THR 57 -3.573 -0.408 -6.817 473 HA THR 57 HA THR 57 -1.102 0.056 -5.662 474 HB THR 57 HB THR 57 -1.588 -1.924 -7.016 475 HG1 THR 57 1HG THR 57 0.452 -1.480 -8.522 476 HG21 THR 57 3HG2 THR 57 -1.500 -0.026 -9.366 477 HG22 THR 57 1HG2 THR 57 -2.898 -0.943 -8.798 478 HG23 THR 57 2HG2 THR 57 -1.510 -1.788 -9.488 479 H SER 58 HN SER 58 -2.669 1.780 -8.272 480 HA SER 58 HA SER 58 -0.490 3.201 -9.289 481 HG SER 58 HG SER 58 -2.627 2.697 -11.197 482 HB2 SER 58 2HB SER 58 -3.271 4.342 -9.033 483 HB3 SER 58 1HB SER 58 -2.100 4.582 -10.333 484 H CYS 59 HN CYS 59 -2.776 4.035 -6.686 485 HA CYS 59 HA CYS 59 -1.446 6.455 -5.988 486 HG CYS 59 HG CYS 59 -3.742 7.079 -6.881 487 HB2 CYS 59 2HB CYS 59 -3.563 4.772 -4.672 488 HB3 CYS 59 1HB CYS 59 -2.882 6.173 -3.864 489 H LEU 60 HN LEU 60 -1.249 3.116 -4.933 490 HA LEU 60 HA LEU 60 0.255 3.455 -2.604 491 HG LEU 60 HG LEU 60 -1.897 1.412 -3.258 492 HB2 LEU 60 2HB LEU 60 0.152 1.202 -4.593 493 HB3 LEU 60 1HB LEU 60 1.110 1.118 -3.129 494 HD11 LEU 60 1HD1 LEU 60 -1.117 -0.807 -3.887 495 HD12 LEU 60 2HD1 LEU 60 -1.920 -0.833 -2.317 496 HD13 LEU 60 3HD1 LEU 60 -0.160 -0.898 -2.409 497 HD21 LEU 60 3HD2 LEU 60 -0.045 1.151 -0.886 498 HD22 LEU 60 1HD2 LEU 60 -1.807 1.123 -0.825 499 HD23 LEU 60 2HD2 LEU 60 -0.967 2.588 -1.334 500 H LYS 61 HN LYS 61 1.376 2.822 -5.921 501 HA LYS 61 HA LYS 61 4.126 2.948 -5.175 502 HB2 LYS 61 2HB LYS 61 2.763 2.934 -7.863 503 HB3 LYS 61 1HB LYS 61 4.512 2.964 -7.672 504 HG2 LYS 61 2HG LYS 61 4.381 0.846 -6.417 505 HG3 LYS 61 1HG LYS 61 2.639 0.807 -6.715 506 HD2 LYS 61 2HD LYS 61 3.017 0.709 -9.104 507 HD3 LYS 61 1HD LYS 61 4.758 0.865 -8.863 508 HE2 LYS 61 2HE LYS 61 3.042 -1.419 -7.894 509 HE3 LYS 61 1HE LYS 61 4.095 -1.453 -9.308 510 HZ1 LYS 61 3HZ LYS 61 5.254 -2.464 -7.524 511 HZ2 LYS 61 1HZ LYS 61 4.906 -1.181 -6.465 512 HZ3 LYS 61 2HZ LYS 61 5.970 -0.942 -7.767 513 H SER 62 HN SER 62 1.943 5.207 -6.845 514 HA SER 62 HA SER 62 3.971 7.138 -7.322 515 HG SER 62 HG SER 62 3.181 8.993 -8.298 516 HB2 SER 62 2HB SER 62 1.819 6.985 -8.595 517 HB3 SER 62 1HB SER 62 0.988 7.610 -7.174 518 H GLY 63 HN GLY 63 1.903 6.461 -4.604 519 HA2 GLY 63 2HA GLY 63 2.165 7.189 -2.427 520 HA3 GLY 63 1HA GLY 63 3.482 8.217 -2.966 521 H LYS 64 HN LYS 64 0.053 8.123 -3.915 522 HA LYS 64 HA LYS 64 -0.107 10.985 -3.460 523 HB2 LYS 64 2HB LYS 64 -1.145 9.881 -5.473 524 HB3 LYS 64 1HB LYS 64 -2.306 9.127 -4.389 525 HG2 LYS 64 2HG LYS 64 -2.009 12.086 -4.299 526 HG3 LYS 64 1HG LYS 64 -2.849 11.367 -5.672 527 HD2 LYS 64 2HD LYS 64 -4.576 10.561 -4.364 528 HD3 LYS 64 1HD LYS 64 -3.600 10.552 -2.894 529 HE2 LYS 64 2HE LYS 64 -5.299 12.310 -2.832 530 HE3 LYS 64 1HE LYS 64 -3.673 12.985 -2.815 531 HZ1 LYS 64 3HZ LYS 64 -5.511 12.858 -5.146 532 HZ2 LYS 64 1HZ LYS 64 -3.907 13.406 -5.214 533 HZ3 LYS 64 2HZ LYS 64 -5.049 14.242 -4.287 534 H VAL 65 HN VAL 65 -1.095 8.004 -1.987 535 HA VAL 65 HA VAL 65 -2.869 9.217 -0.080 536 HB VAL 65 HB VAL 65 -2.837 7.016 1.044 537 HG11 VAL 65 1HG1 VAL 65 -4.409 7.441 -0.777 538 HG12 VAL 65 2HG1 VAL 65 -3.902 5.753 -0.754 539 HG13 VAL 65 3HG1 VAL 65 -3.222 6.863 -1.943 540 HG21 VAL 65 3HG2 VAL 65 -1.636 5.133 0.005 541 HG22 VAL 65 1HG2 VAL 65 -0.531 6.370 0.609 542 HG23 VAL 65 2HG2 VAL 65 -0.870 6.258 -1.119 543 H LYS 66 HN LYS 66 -2.364 8.778 2.344 544 HA LYS 66 HA LYS 66 -0.042 10.290 2.954 545 HB2 LYS 66 2HB LYS 66 -2.226 10.212 4.280 546 HB3 LYS 66 1HB LYS 66 -1.630 8.701 4.959 547 HG2 LYS 66 2HG LYS 66 -1.133 10.520 6.459 548 HG3 LYS 66 1HG LYS 66 0.369 9.883 5.777 549 HD2 LYS 66 2HD LYS 66 0.238 11.718 4.058 550 HD3 LYS 66 1HD LYS 66 -1.086 12.406 4.999 551 HE2 LYS 66 2HE LYS 66 0.412 12.563 6.945 552 HE3 LYS 66 1HE LYS 66 1.731 11.929 5.960 553 HZ1 LYS 66 3HZ LYS 66 1.978 14.250 5.935 554 HZ2 LYS 66 1HZ LYS 66 0.320 14.518 5.671 555 HZ3 LYS 66 2HZ LYS 66 1.283 13.873 4.434 556 H LYS 67 HN LYS 67 -0.899 6.895 3.421 557 HA LYS 67 HA LYS 67 0.353 4.998 3.442 558 HB2 LYS 67 2HB LYS 67 1.604 6.132 1.598 559 HB3 LYS 67 1HB LYS 67 2.695 6.811 2.792 560 HG2 LYS 67 2HG LYS 67 3.413 4.537 3.401 561 HG3 LYS 67 1HG LYS 67 2.348 3.886 2.151 562 HD2 LYS 67 2HD LYS 67 3.577 5.246 0.470 563 HD3 LYS 67 1HD LYS 67 4.689 5.748 1.740 564 HE2 LYS 67 2HE LYS 67 5.338 3.407 2.088 565 HE3 LYS 67 1HE LYS 67 4.228 2.915 0.810 566 HZ1 LYS 67 3HZ LYS 67 6.636 4.627 0.501 567 HZ2 LYS 67 1HZ LYS 67 5.525 4.315 -0.739 568 HZ3 LYS 67 2HZ LYS 67 6.443 3.049 -0.079 569 H TYR 68 HN TYR 68 1.145 3.815 5.110 570 HA TYR 68 HA TYR 68 1.732 5.134 7.572 571 HD1 TYR 68 1HD TYR 68 0.566 4.204 9.672 572 HD2 TYR 68 2HD TYR 68 3.451 1.279 8.560 573 HE1 TYR 68 1HE TYR 68 1.094 3.829 12.045 574 HE2 TYR 68 2HE TYR 68 3.987 0.899 10.928 575 HH TYR 68 HH TYR 68 3.823 2.104 13.081 576 HB2 TYR 68 2HB TYR 68 0.562 2.917 7.382 577 HB3 TYR 68 1HB TYR 68 2.102 2.209 6.912 578 H VAL 69 HN VAL 69 3.502 4.227 4.925 579 HA VAL 69 HA VAL 69 5.671 4.300 4.316 580 HB VAL 69 HB VAL 69 6.054 6.048 6.749 581 HG11 VAL 69 1HG1 VAL 69 7.888 7.026 5.418 582 HG12 VAL 69 2HG1 VAL 69 7.619 5.798 4.182 583 HG13 VAL 69 3HG1 VAL 69 8.154 5.325 5.792 584 HG21 VAL 69 3HG2 VAL 69 5.629 7.930 5.238 585 HG22 VAL 69 1HG2 VAL 69 4.220 6.879 5.373 586 HG23 VAL 69 2HG2 VAL 69 5.245 6.799 3.941 587 H GLY 70 HN GLY 70 5.716 1.987 4.924 588 HA2 GLY 70 2HA GLY 70 7.605 1.440 7.084 589 HA3 GLY 70 1HA GLY 70 6.885 0.249 5.998 590 H GLN 71 HN GLN 71 7.421 0.831 3.605 591 HA GLN 71 HA GLN 71 10.302 1.323 3.364 592 HB2 GLN 71 2HB GLN 71 9.417 -0.696 2.264 593 HB3 GLN 71 1HB GLN 71 8.288 0.292 1.347 594 HG2 GLN 71 2HG GLN 71 10.195 1.413 0.265 595 HG3 GLN 71 1HG GLN 71 11.291 0.351 1.146 596 HE21 GLN 71 1HE2 GLN 71 11.376 -1.827 0.627 597 HE22 GLN 71 2HE2 GLN 71 10.770 -2.432 -0.880 598 H VAL 72 HN VAL 72 11.073 3.066 2.164 599 HA VAL 72 HA VAL 72 9.181 5.220 1.805 600 HB VAL 72 HB VAL 72 11.318 6.503 1.104 601 HG11 VAL 72 1HG1 VAL 72 11.018 5.408 3.901 602 HG12 VAL 72 2HG1 VAL 72 10.162 6.798 3.230 603 HG13 VAL 72 3HG1 VAL 72 11.910 6.863 3.454 604 HG21 VAL 72 3HG2 VAL 72 13.404 5.576 2.010 605 HG22 VAL 72 1HG2 VAL 72 12.761 4.567 0.714 606 HG23 VAL 72 2HG2 VAL 72 12.568 4.072 2.396 607 H SER 73 HN SER 73 11.858 4.240 -0.349 608 HA SER 73 HA SER 73 10.164 4.930 -2.626 609 HG SER 73 HG SER 73 14.230 5.045 -2.438 610 HB2 SER 73 2HB SER 73 12.423 4.836 -3.844 611 HB3 SER 73 1HB SER 73 12.204 6.137 -2.675 612 H GLU 74 HN GLU 74 10.201 3.578 -4.534 613 HA GLU 74 HA GLU 74 9.870 0.805 -3.860 614 HB2 GLU 74 2HB GLU 74 8.400 1.853 -5.505 615 HB3 GLU 74 1HB GLU 74 9.775 2.215 -6.539 616 HG2 GLU 74 2HG GLU 74 10.180 -0.255 -6.693 617 HG3 GLU 74 1HG GLU 74 8.641 -0.486 -5.864 618 H VAL 75 HN VAL 75 11.326 -0.774 -3.994 619 HA VAL 75 HA VAL 75 14.007 -0.350 -4.772 620 HB VAL 75 HB VAL 75 12.561 -2.996 -4.486 621 HG11 VAL 75 1HG1 VAL 75 14.673 -3.216 -5.683 622 HG12 VAL 75 2HG1 VAL 75 14.797 -3.920 -4.073 623 HG13 VAL 75 3HG1 VAL 75 15.507 -2.343 -4.399 624 HG21 VAL 75 3HG2 VAL 75 14.103 -1.391 -2.445 625 HG22 VAL 75 1HG2 VAL 75 13.481 -3.024 -2.207 626 HG23 VAL 75 2HG2 VAL 75 12.362 -1.683 -2.450 627 H GLY 76 HN GLY 76 14.950 -0.445 -6.708 628 HA2 GLY 76 2HA GLY 76 14.873 -1.787 -8.899 629 HA3 GLY 76 1HA GLY 76 13.232 -1.154 -8.999 630 H SER 77 HN SER 77 14.034 1.362 -7.730 631 HA SER 77 HA SER 77 15.779 2.522 -9.792 632 HG SER 77 HG SER 77 12.664 2.220 -9.925 633 HB2 SER 77 2HB SER 77 13.370 3.909 -8.586 634 HB3 SER 77 1HB SER 77 14.386 4.489 -9.907 Start of MODEL 18 1 HA GLN 1 HA GLN 1 -19.074 12.686 -18.954 2 H1 GLN 1 1HT GLN 1 -20.649 10.918 -18.579 3 H2 GLN 1 2HT GLN 1 -21.291 11.732 -17.239 4 H3 GLN 1 3HT GLN 1 -19.690 11.170 -17.205 5 HB2 GLN 1 2HB GLN 1 -21.935 13.632 -18.694 6 HB3 GLN 1 1HB GLN 1 -20.681 14.473 -19.591 7 HG2 GLN 1 2HG GLN 1 -20.459 12.556 -21.082 8 HG3 GLN 1 1HG GLN 1 -21.733 11.720 -20.189 9 HE21 GLN 1 1HE2 GLN 1 -20.985 14.306 -22.379 10 HE22 GLN 1 2HE2 GLN 1 -22.607 14.619 -22.890 11 H GLY 2 HN GLY 2 -17.658 13.464 -17.507 12 HA2 GLY 2 2HA GLY 2 -16.883 15.334 -16.324 13 HA3 GLY 2 1HA GLY 2 -18.546 15.790 -15.989 14 H HIS 3 HN HIS 3 -19.468 13.404 -14.846 15 HA HIS 3 HA HIS 3 -18.097 13.626 -12.267 16 HD1 HIS 3 1HD HIS 3 -22.146 14.421 -13.831 17 HD2 HIS 3 2HD HIS 3 -19.738 15.550 -10.631 18 HE1 HIS 3 1HE HIS 3 -22.713 16.822 -13.371 19 HE2 HIS 3 2HE HIS 3 -21.375 17.434 -11.324 20 HB2 HIS 3 2HB HIS 3 -20.839 12.512 -12.902 21 HB3 HIS 3 1HB HIS 3 -20.162 12.728 -11.291 22 H MET 4 HN MET 4 -16.414 12.181 -12.471 23 HA MET 4 HA MET 4 -17.069 9.419 -13.181 24 HB2 MET 4 2HB MET 4 -15.077 10.507 -14.222 25 HB3 MET 4 1HB MET 4 -14.357 10.639 -12.623 26 HG2 MET 4 2HG MET 4 -14.366 8.210 -12.413 27 HG3 MET 4 1HG MET 4 -15.102 8.078 -14.009 28 HE1 MET 4 3HE MET 4 -11.464 6.756 -14.622 29 HE2 MET 4 1HE MET 4 -13.189 6.397 -14.740 30 HE3 MET 4 2HE MET 4 -12.424 6.537 -13.158 31 H ILE 5 HN ILE 5 -18.358 9.397 -11.141 32 HA ILE 5 HA ILE 5 -16.715 8.963 -8.754 33 HB ILE 5 HB ILE 5 -19.731 9.076 -9.001 34 HG12 ILE 5 2HG1 ILE 5 -18.706 11.251 -9.470 35 HG13 ILE 5 1HG1 ILE 5 -19.549 11.282 -7.926 36 HG21 ILE 5 1HG2 ILE 5 -19.691 9.249 -6.544 37 HG22 ILE 5 2HG2 ILE 5 -17.946 8.982 -6.572 38 HG23 ILE 5 3HG2 ILE 5 -19.042 7.717 -7.127 39 HD11 ILE 5 3HD1 ILE 5 -17.427 12.459 -7.807 40 HD12 ILE 5 1HD1 ILE 5 -16.579 10.999 -8.308 41 HD13 ILE 5 2HD1 ILE 5 -17.419 11.040 -6.759 42 H MET 6 HN MET 6 -15.864 6.960 -8.891 43 HA MET 6 HA MET 6 -17.384 4.780 -10.037 44 HB2 MET 6 2HB MET 6 -14.665 5.393 -9.825 45 HB3 MET 6 1HB MET 6 -14.897 4.003 -8.772 46 HG2 MET 6 2HG MET 6 -15.592 4.197 -11.692 47 HG3 MET 6 1HG MET 6 -14.286 3.257 -10.967 48 HE1 MET 6 3HE MET 6 -16.514 2.085 -13.008 49 HE2 MET 6 1HE MET 6 -16.780 0.515 -12.254 50 HE3 MET 6 2HE MET 6 -15.150 1.173 -12.364 51 H ALA 7 HN ALA 7 -18.034 2.932 -8.963 52 HA ALA 7 HA ALA 7 -18.824 3.281 -6.245 53 HB1 ALA 7 1HB ALA 7 -20.200 2.046 -7.829 54 HB2 ALA 7 2HB ALA 7 -19.771 1.037 -6.450 55 HB3 ALA 7 3HB ALA 7 -18.938 0.825 -7.990 56 H LYS 8 HN LYS 8 -16.281 1.493 -7.876 57 HA LYS 8 HA LYS 8 -15.290 0.592 -5.265 58 HB2 LYS 8 2HB LYS 8 -13.769 -0.894 -6.637 59 HB3 LYS 8 1HB LYS 8 -15.480 -1.275 -6.712 60 HG2 LYS 8 2HG LYS 8 -14.425 0.520 -8.811 61 HG3 LYS 8 1HG LYS 8 -13.906 -1.164 -8.863 62 HD2 LYS 8 2HD LYS 8 -16.785 -0.264 -8.732 63 HD3 LYS 8 1HD LYS 8 -15.939 -0.698 -10.219 64 HE2 LYS 8 2HE LYS 8 -15.495 -2.944 -9.223 65 HE3 LYS 8 1HE LYS 8 -16.514 -2.482 -7.860 66 HZ1 LYS 8 3HZ LYS 8 -17.748 -3.767 -9.485 67 HZ2 LYS 8 1HZ LYS 8 -17.383 -2.637 -10.698 68 HZ3 LYS 8 2HZ LYS 8 -18.365 -2.191 -9.387 69 H ARG 9 HN ARG 9 -14.964 3.198 -5.575 70 HA ARG 9 HA ARG 9 -12.408 3.843 -6.709 71 HE ARG 9 HE ARG 9 -16.697 5.791 -2.737 72 HB2 ARG 9 2HB ARG 9 -12.852 6.072 -6.021 73 HB3 ARG 9 1HB ARG 9 -14.385 5.411 -6.565 74 HG2 ARG 9 2HG ARG 9 -13.507 5.793 -3.707 75 HG3 ARG 9 1HG ARG 9 -14.709 6.725 -4.583 76 HD2 ARG 9 2HD ARG 9 -16.142 4.768 -4.748 77 HD3 ARG 9 1HD ARG 9 -14.925 3.799 -3.918 78 HH11 ARG 9 1HH1 ARG 9 -13.983 3.595 -2.326 79 HH12 ARG 9 2HH1 ARG 9 -14.150 3.514 -0.600 80 HH21 ARG 9 1HH2 ARG 9 -16.896 5.677 -0.447 81 HH22 ARG 9 2HH2 ARG 9 -15.785 4.692 0.459 82 H CYS 10 HN CYS 10 -10.588 4.629 -5.496 83 HA CYS 10 HA CYS 10 -9.825 3.041 -3.306 84 HG CYS 10 HG CYS 10 -7.500 3.367 -2.029 85 HB2 CYS 10 2HB CYS 10 -8.217 4.154 -4.819 86 HB3 CYS 10 1HB CYS 10 -8.698 5.716 -4.169 87 H GLU 11 HN GLU 11 -9.661 3.462 -1.099 88 HA GLU 11 HA GLU 11 -11.671 5.298 -0.097 89 HB2 GLU 11 2HB GLU 11 -9.842 3.436 1.436 90 HB3 GLU 11 1HB GLU 11 -11.258 4.261 2.072 91 HG2 GLU 11 2HG GLU 11 -12.637 3.009 0.410 92 HG3 GLU 11 1HG GLU 11 -11.195 2.086 -0.002 93 H VAL 12 HN VAL 12 -8.435 5.528 -0.837 94 HA VAL 12 HA VAL 12 -7.829 7.410 1.326 95 HB VAL 12 HB VAL 12 -6.005 6.216 -0.762 96 HG11 VAL 12 1HG1 VAL 12 -5.337 7.847 1.693 97 HG12 VAL 12 2HG1 VAL 12 -5.225 8.406 0.025 98 HG13 VAL 12 3HG1 VAL 12 -4.176 7.108 0.589 99 HG21 VAL 12 3HG2 VAL 12 -5.101 4.884 1.098 100 HG22 VAL 12 1HG2 VAL 12 -6.803 4.528 0.791 101 HG23 VAL 12 2HG2 VAL 12 -6.346 5.543 2.158 102 H CYS 13 HN CYS 13 -7.243 7.216 -2.184 103 HA CYS 13 HA CYS 13 -7.140 10.118 -2.316 104 HG CYS 13 HG CYS 13 -5.829 11.316 -4.689 105 HB2 CYS 13 2HB CYS 13 -5.398 8.861 -3.464 106 HB3 CYS 13 1HB CYS 13 -6.609 7.990 -4.395 107 H GLY 14 HN GLY 14 -8.966 7.450 -3.788 108 HA2 GLY 14 2HA GLY 14 -11.377 7.704 -4.019 109 HA3 GLY 14 1HA GLY 14 -11.091 9.394 -4.405 110 H LYS 15 HN LYS 15 -8.666 8.103 -5.986 111 HA LYS 15 HA LYS 15 -10.048 8.113 -8.502 112 HB2 LYS 15 2HB LYS 15 -7.157 7.437 -7.916 113 HB3 LYS 15 1HB LYS 15 -7.842 7.763 -9.505 114 HG2 LYS 15 2HG LYS 15 -8.427 10.047 -8.720 115 HG3 LYS 15 1HG LYS 15 -7.580 9.697 -7.214 116 HD2 LYS 15 2HD LYS 15 -6.040 10.869 -8.557 117 HD3 LYS 15 1HD LYS 15 -5.552 9.176 -8.638 118 HE2 LYS 15 2HE LYS 15 -5.453 10.177 -10.841 119 HE3 LYS 15 1HE LYS 15 -6.726 8.960 -10.788 120 HZ1 LYS 15 3HZ LYS 15 -7.203 11.873 -10.458 121 HZ2 LYS 15 1HZ LYS 15 -8.374 10.657 -10.622 122 HZ3 LYS 15 2HZ LYS 15 -7.369 11.045 -11.929 123 H ALA 16 HN ALA 16 -9.706 6.330 -10.104 124 HA ALA 16 HA ALA 16 -10.742 3.926 -8.949 125 HB1 ALA 16 1HB ALA 16 -10.975 3.163 -11.252 126 HB2 ALA 16 2HB ALA 16 -10.016 4.534 -11.811 127 HB3 ALA 16 3HB ALA 16 -11.592 4.806 -11.068 128 HA PRO 17 HA PRO 17 -6.888 1.703 -8.913 129 HB2 PRO 17 2HB PRO 17 -7.816 -0.654 -8.054 130 HB3 PRO 17 1HB PRO 17 -7.866 0.779 -7.023 131 HG2 PRO 17 2HG PRO 17 -10.066 -0.544 -8.529 132 HG3 PRO 17 1HG PRO 17 -10.111 0.281 -6.962 133 HD2 PRO 17 2HD PRO 17 -10.855 1.363 -9.462 134 HD3 PRO 17 1HD PRO 17 -10.636 2.253 -7.943 135 H ARG 18 HN ARG 18 -6.352 1.678 -11.118 136 HA ARG 18 HA ARG 18 -7.611 -0.130 -12.960 137 HE ARG 18 HE ARG 18 -1.937 2.028 -13.827 138 HB2 ARG 18 2HB ARG 18 -5.944 0.638 -14.554 139 HB3 ARG 18 1HB ARG 18 -6.599 2.015 -13.680 140 HG2 ARG 18 2HG ARG 18 -4.623 2.065 -12.257 141 HG3 ARG 18 1HG ARG 18 -3.967 0.667 -13.106 142 HD2 ARG 18 2HD ARG 18 -3.984 1.995 -15.199 143 HD3 ARG 18 1HD ARG 18 -4.524 3.392 -14.269 144 HH11 ARG 18 1HH1 ARG 18 -3.870 4.947 -14.016 145 HH12 ARG 18 2HH1 ARG 18 -2.548 5.994 -13.611 146 HH21 ARG 18 1HH2 ARG 18 -0.218 3.403 -13.271 147 HH22 ARG 18 2HH2 ARG 18 -0.478 5.124 -13.178 148 H SER 19 HN SER 19 -4.926 -0.239 -10.790 149 HA SER 19 HA SER 19 -3.294 -1.742 -10.319 150 HG SER 19 HG SER 19 -5.091 -3.055 -8.901 151 HB2 SER 19 2HB SER 19 -5.139 -3.747 -11.648 152 HB3 SER 19 1HB SER 19 -3.887 -4.087 -10.451 153 H GLY 20 HN GLY 20 -2.550 -4.098 -11.853 154 HA2 GLY 20 2HA GLY 20 -1.430 -2.762 -14.225 155 HA3 GLY 20 1HA GLY 20 -0.729 -4.163 -13.425 156 H ASN 21 HN ASN 21 -4.141 -3.988 -13.969 157 HA ASN 21 HA ASN 21 -5.574 -5.376 -15.037 158 HB2 ASN 21 2HB ASN 21 -3.408 -5.173 -17.122 159 HB3 ASN 21 1HB ASN 21 -4.863 -6.129 -17.389 160 HD21 ASN 21 1HD2 ASN 21 -6.827 -5.098 -17.659 161 HD22 ASN 21 2HD2 ASN 21 -6.949 -3.389 -17.948 162 H THR 22 HN THR 22 -4.741 -6.694 -13.133 163 HA THR 22 HA THR 22 -4.523 -8.780 -12.275 164 HB THR 22 HB THR 22 -4.101 -9.805 -15.091 165 HG1 THR 22 1HG THR 22 -6.126 -9.226 -15.341 166 HG21 THR 22 3HG2 THR 22 -4.940 -11.919 -14.148 167 HG22 THR 22 1HG2 THR 22 -5.044 -11.163 -12.559 168 HG23 THR 22 2HG2 THR 22 -3.473 -11.385 -13.328 169 H VAL 23 HN VAL 23 -2.831 -10.047 -11.495 170 HA VAL 23 HA VAL 23 -0.169 -9.154 -12.372 171 HB VAL 23 HB VAL 23 0.629 -9.885 -10.136 172 HG11 VAL 23 1HG1 VAL 23 0.048 -7.552 -10.499 173 HG12 VAL 23 2HG1 VAL 23 -0.394 -8.041 -8.865 174 HG13 VAL 23 3HG1 VAL 23 -1.637 -7.893 -10.106 175 HG21 VAL 23 3HG2 VAL 23 -1.023 -10.350 -8.371 176 HG22 VAL 23 1HG2 VAL 23 -1.052 -11.573 -9.644 177 HG23 VAL 23 2HG2 VAL 23 -2.304 -10.332 -9.583 178 H SER 24 HN SER 24 1.587 -10.819 -11.884 179 HA SER 24 HA SER 24 2.580 -12.800 -12.364 180 HG SER 24 HG SER 24 2.448 -15.125 -11.295 181 HB2 SER 24 2HB SER 24 0.984 -13.632 -10.590 182 HB3 SER 24 1HB SER 24 -0.123 -14.086 -11.882 183 H HIS 25 HN HIS 25 1.450 -15.088 -13.695 184 HA HIS 25 HA HIS 25 1.327 -13.952 -16.389 185 HD1 HIS 25 1HD HIS 25 3.288 -14.921 -18.392 186 HD2 HIS 25 2HD HIS 25 0.647 -18.071 -17.740 187 HE1 HIS 25 1HE HIS 25 2.891 -15.959 -20.650 188 HE2 HIS 25 2HE HIS 25 1.462 -17.986 -20.192 189 HB2 HIS 25 2HB HIS 25 3.024 -15.694 -15.865 190 HB3 HIS 25 1HB HIS 25 1.723 -16.830 -15.531 191 H SER 26 HN SER 26 -0.749 -15.184 -14.045 192 HA SER 26 HA SER 26 -2.875 -15.448 -16.025 193 HG SER 26 HG SER 26 -2.087 -18.625 -13.599 194 HB2 SER 26 2HB SER 26 -3.676 -17.502 -14.649 195 HB3 SER 26 1HB SER 26 -2.377 -17.724 -15.821 196 H ASP 27 HN ASP 27 -2.531 -16.070 -12.537 197 HA ASP 27 HA ASP 27 -3.786 -13.661 -11.757 198 HB2 ASP 27 2HB ASP 27 -5.887 -14.592 -10.832 199 HB3 ASP 27 1HB ASP 27 -5.825 -14.703 -12.585 200 H LYS 28 HN LYS 28 -3.619 -17.050 -10.676 201 HA LYS 28 HA LYS 28 -2.740 -18.050 -8.855 202 HB2 LYS 28 2HB LYS 28 -0.654 -16.906 -9.389 203 HB3 LYS 28 1HB LYS 28 -1.191 -15.474 -8.520 204 HG2 LYS 28 2HG LYS 28 -1.180 -16.713 -6.432 205 HG3 LYS 28 1HG LYS 28 -0.712 -18.182 -7.290 206 HD2 LYS 28 2HD LYS 28 0.920 -15.644 -7.220 207 HD3 LYS 28 1HD LYS 28 1.188 -17.037 -6.171 208 HE2 LYS 28 2HE LYS 28 1.316 -17.056 -9.186 209 HE3 LYS 28 1HE LYS 28 2.707 -17.026 -8.103 210 HZ1 LYS 28 3HZ LYS 28 0.714 -19.208 -8.404 211 HZ2 LYS 28 1HZ LYS 28 1.882 -19.164 -7.174 212 HZ3 LYS 28 2HZ LYS 28 2.364 -19.256 -8.794 213 H LYS 29 HN LYS 29 -2.961 -14.673 -7.719 214 HA LYS 29 HA LYS 29 -5.015 -15.535 -5.806 215 HB2 LYS 29 2HB LYS 29 -2.508 -13.985 -5.184 216 HB3 LYS 29 1HB LYS 29 -3.908 -13.982 -4.124 217 HG2 LYS 29 2HG LYS 29 -2.282 -16.386 -4.915 218 HG3 LYS 29 1HG LYS 29 -2.245 -15.561 -3.355 219 HD2 LYS 29 2HD LYS 29 -4.795 -16.054 -3.326 220 HD3 LYS 29 1HD LYS 29 -4.401 -17.262 -4.550 221 HE2 LYS 29 2HE LYS 29 -4.386 -18.327 -2.405 222 HE3 LYS 29 1HE LYS 29 -2.723 -18.214 -2.981 223 HZ1 LYS 29 3HZ LYS 29 -3.968 -16.299 -1.082 224 HZ2 LYS 29 1HZ LYS 29 -2.341 -16.346 -1.549 225 HZ3 LYS 29 2HZ LYS 29 -2.990 -17.601 -0.612 226 H SER 30 HN SER 30 -3.261 -12.743 -7.110 227 HA SER 30 HA SER 30 -3.919 -10.706 -7.851 228 HG SER 30 HG SER 30 -6.301 -9.362 -7.798 229 HB2 SER 30 2HB SER 30 -5.755 -11.844 -9.042 230 HB3 SER 30 1HB SER 30 -6.753 -11.751 -7.595 231 H GLU 31 HN GLU 31 -4.439 -11.933 -4.897 232 HA GLU 31 HA GLU 31 -4.684 -11.136 -2.815 233 HB2 GLU 31 2HB GLU 31 -4.083 -8.518 -4.182 234 HB3 GLU 31 1HB GLU 31 -4.244 -8.687 -2.438 235 HG2 GLU 31 2HG GLU 31 -2.184 -9.954 -4.221 236 HG3 GLU 31 1HG GLU 31 -1.933 -8.750 -2.957 237 H ARG 32 HN ARG 32 -6.652 -11.572 -2.183 238 HA ARG 32 HA ARG 32 -8.746 -11.214 -1.397 239 HE ARG 32 HE ARG 32 -7.098 -11.082 0.367 240 HB2 ARG 32 2HB ARG 32 -8.431 -8.400 -2.460 241 HB3 ARG 32 1HB ARG 32 -9.767 -8.962 -1.470 242 HG2 ARG 32 2HG ARG 32 -6.889 -8.950 -0.582 243 HG3 ARG 32 1HG ARG 32 -8.048 -7.667 -0.234 244 HD2 ARG 32 2HD ARG 32 -8.031 -9.005 1.681 245 HD3 ARG 32 1HD ARG 32 -9.492 -9.472 0.817 246 HH11 ARG 32 1HH1 ARG 32 -10.171 -10.731 2.013 247 HH12 ARG 32 2HH1 ARG 32 -10.340 -12.428 2.346 248 HH21 ARG 32 1HH2 ARG 32 -7.274 -13.310 0.856 249 HH22 ARG 32 2HH2 ARG 32 -8.654 -13.887 1.751 250 H TRP 33 HN TRP 33 -10.686 -11.792 -2.185 251 HA TRP 33 HA TRP 33 -11.089 -11.677 -5.069 252 HD1 TRP 33 1HD TRP 33 -15.054 -12.376 -4.512 253 HE1 TRP 33 1HE TRP 33 -15.890 -13.484 -6.686 254 HE3 TRP 33 3HE TRP 33 -10.783 -14.848 -5.833 255 HZ2 TRP 33 2HZ TRP 33 -14.862 -15.187 -8.684 256 HZ3 TRP 33 3HZ TRP 33 -10.788 -16.196 -7.893 257 HH2 TRP 33 2HH TRP 33 -12.788 -16.362 -9.290 258 HB2 TRP 33 2HB TRP 33 -11.586 -13.744 -3.685 259 HB3 TRP 33 1HB TRP 33 -12.923 -12.854 -2.963 260 H PHE 34 HN PHE 34 -12.146 -10.218 -2.124 261 HA PHE 34 HA PHE 34 -14.356 -8.799 -3.347 262 HD1 PHE 34 2HD PHE 34 -16.579 -9.255 -1.597 263 HD2 PHE 34 1HD PHE 34 -12.988 -10.694 0.175 264 HE1 PHE 34 2HE PHE 34 -17.773 -11.262 -0.814 265 HE2 PHE 34 1HE PHE 34 -14.173 -12.699 0.961 266 HZ PHE 34 HZ PHE 34 -16.569 -12.987 0.467 267 HB2 PHE 34 2HB PHE 34 -13.120 -8.465 -0.603 268 HB3 PHE 34 1HB PHE 34 -14.643 -7.768 -1.145 269 H ARG 35 HN ARG 35 -13.791 -7.269 -4.750 270 HA ARG 35 HA ARG 35 -12.781 -5.498 -5.738 271 HE ARG 35 HE ARG 35 -15.820 -2.206 -3.982 272 HB2 ARG 35 2HB ARG 35 -11.927 -4.748 -2.932 273 HB3 ARG 35 1HB ARG 35 -11.909 -3.689 -4.332 274 HG2 ARG 35 2HG ARG 35 -14.353 -4.867 -3.022 275 HG3 ARG 35 1HG ARG 35 -13.799 -3.194 -2.912 276 HD2 ARG 35 2HD ARG 35 -14.025 -3.090 -5.423 277 HD3 ARG 35 1HD ARG 35 -14.847 -4.647 -5.326 278 HH11 ARG 35 1HH1 ARG 35 -16.419 -5.222 -5.664 279 HH12 ARG 35 2HH1 ARG 35 -18.142 -4.977 -5.735 280 HH21 ARG 35 1HH2 ARG 35 -18.047 -1.862 -4.112 281 HH22 ARG 35 2HH2 ARG 35 -19.067 -3.054 -4.873 282 HA PRO 36 HA PRO 36 -8.753 -7.837 -5.414 283 HB2 PRO 36 2HB PRO 36 -9.072 -8.339 -8.265 284 HB3 PRO 36 1HB PRO 36 -8.933 -9.496 -6.940 285 HG2 PRO 36 2HG PRO 36 -11.231 -9.130 -8.324 286 HG3 PRO 36 1HG PRO 36 -11.200 -9.598 -6.615 287 HD2 PRO 36 2HD PRO 36 -11.675 -6.901 -7.831 288 HD3 PRO 36 1HD PRO 36 -12.507 -7.689 -6.472 289 H ASN 37 HN ASN 37 -9.743 -5.019 -6.727 290 HA ASN 37 HA ASN 37 -7.149 -4.481 -8.011 291 HB2 ASN 37 2HB ASN 37 -9.817 -3.089 -8.312 292 HB3 ASN 37 1HB ASN 37 -8.311 -2.475 -8.991 293 HD21 ASN 37 1HD2 ASN 37 -7.345 -3.559 -10.698 294 HD22 ASN 37 2HD2 ASN 37 -8.209 -4.713 -11.654 295 H LEU 38 HN LEU 38 -8.867 -4.037 -5.204 296 HA LEU 38 HA LEU 38 -7.349 -1.607 -4.534 297 HG LEU 38 HG LEU 38 -9.637 -0.715 -5.673 298 HB2 LEU 38 2HB LEU 38 -10.152 -2.405 -3.848 299 HB3 LEU 38 1HB LEU 38 -9.253 -1.358 -2.765 300 HD11 LEU 38 1HD1 LEU 38 -11.320 0.157 -3.324 301 HD12 LEU 38 2HD1 LEU 38 -11.836 -0.922 -4.619 302 HD13 LEU 38 3HD1 LEU 38 -11.458 0.762 -4.974 303 HD21 LEU 38 3HD2 LEU 38 -7.818 0.443 -4.549 304 HD22 LEU 38 1HD2 LEU 38 -8.922 0.960 -3.275 305 HD23 LEU 38 2HD2 LEU 38 -9.137 1.556 -4.922 306 H GLN 39 HN GLN 39 -5.649 -2.443 -3.477 307 HA GLN 39 HA GLN 39 -6.117 -4.560 -1.530 308 HB2 GLN 39 2HB GLN 39 -3.406 -3.763 -1.412 309 HB3 GLN 39 1HB GLN 39 -4.071 -5.245 -2.074 310 HG2 GLN 39 2HG GLN 39 -2.707 -4.297 -3.745 311 HG3 GLN 39 1HG GLN 39 -4.375 -4.020 -4.243 312 HE21 GLN 39 1HE2 GLN 39 -2.928 -2.175 -1.691 313 HE22 GLN 39 2HE2 GLN 39 -2.822 -0.688 -2.555 314 H LYS 40 HN LYS 40 -6.419 -4.198 0.510 315 HA LYS 40 HA LYS 40 -6.412 -1.551 1.560 316 HB2 LYS 40 2HB LYS 40 -7.008 -2.728 3.711 317 HB3 LYS 40 1HB LYS 40 -8.097 -3.020 2.361 318 HG2 LYS 40 2HG LYS 40 -6.985 -5.166 1.948 319 HG3 LYS 40 1HG LYS 40 -5.933 -4.873 3.333 320 HD2 LYS 40 2HD LYS 40 -8.944 -5.104 3.409 321 HD3 LYS 40 1HD LYS 40 -7.799 -6.347 3.919 322 HE2 LYS 40 2HE LYS 40 -7.035 -5.023 5.729 323 HE3 LYS 40 1HE LYS 40 -7.858 -3.588 5.116 324 HZ1 LYS 40 3HZ LYS 40 -9.973 -4.631 5.563 325 HZ2 LYS 40 1HZ LYS 40 -9.036 -4.594 6.977 326 HZ3 LYS 40 2HZ LYS 40 -9.209 -6.044 6.111 327 H VAL 41 HN VAL 41 -4.790 -0.491 2.426 328 HA VAL 41 HA VAL 41 -2.470 -2.019 3.424 329 HB VAL 41 HB VAL 41 -2.392 0.838 2.457 330 HG11 VAL 41 1HG1 VAL 41 -0.228 -1.198 2.949 331 HG12 VAL 41 2HG1 VAL 41 -0.554 0.256 3.897 332 HG13 VAL 41 3HG1 VAL 41 0.027 0.393 2.235 333 HG21 VAL 41 3HG2 VAL 41 -1.758 -1.650 0.881 334 HG22 VAL 41 1HG2 VAL 41 -1.431 0.002 0.359 335 HG23 VAL 41 2HG2 VAL 41 -3.096 -0.536 0.587 336 H ARG 42 HN ARG 42 -1.373 -1.090 5.256 337 HA ARG 42 HA ARG 42 -3.245 0.029 7.162 338 HE ARG 42 HE ARG 42 -1.098 -2.986 8.991 339 HB2 ARG 42 2HB ARG 42 -1.661 -1.868 7.694 340 HB3 ARG 42 1HB ARG 42 -0.338 -0.718 7.571 341 HG2 ARG 42 2HG ARG 42 -1.325 0.583 9.410 342 HG3 ARG 42 1HG ARG 42 -2.604 -0.627 9.555 343 HD2 ARG 42 2HD ARG 42 0.350 -1.001 10.019 344 HD3 ARG 42 1HD ARG 42 -0.947 -1.116 11.206 345 HH11 ARG 42 1HH1 ARG 42 -0.056 -2.420 12.291 346 HH12 ARG 42 2HH1 ARG 42 0.051 -4.110 12.672 347 HH21 ARG 42 1HH2 ARG 42 -0.939 -5.183 9.476 348 HH22 ARG 42 2HH2 ARG 42 -0.447 -5.695 11.068 349 H VAL 43 HN VAL 43 -3.515 2.166 7.079 350 HA VAL 43 HA VAL 43 -1.158 3.843 6.547 351 HB VAL 43 HB VAL 43 -2.727 5.521 5.602 352 HG11 VAL 43 1HG1 VAL 43 -2.787 2.814 4.267 353 HG12 VAL 43 2HG1 VAL 43 -1.512 4.024 4.116 354 HG13 VAL 43 3HG1 VAL 43 -3.122 4.355 3.476 355 HG21 VAL 43 3HG2 VAL 43 -4.994 4.852 4.997 356 HG22 VAL 43 1HG2 VAL 43 -4.763 4.806 6.744 357 HG23 VAL 43 2HG2 VAL 43 -4.765 3.308 5.816 358 H VAL 44 HN VAL 44 -1.381 6.093 7.387 359 HA VAL 44 HA VAL 44 -2.817 6.147 9.954 360 HB VAL 44 HB VAL 44 -0.403 5.932 10.346 361 HG11 VAL 44 1HG1 VAL 44 -0.145 8.519 8.821 362 HG12 VAL 44 2HG1 VAL 44 0.431 6.938 8.292 363 HG13 VAL 44 3HG1 VAL 44 1.147 7.709 9.707 364 HG21 VAL 44 3HG2 VAL 44 -0.114 7.889 11.813 365 HG22 VAL 44 1HG2 VAL 44 -1.720 7.168 11.960 366 HG23 VAL 44 2HG2 VAL 44 -1.501 8.656 11.036 367 H LEU 45 HN LEU 45 -3.992 7.953 10.382 368 HA LEU 45 HA LEU 45 -4.275 9.834 8.164 369 HG LEU 45 HG LEU 45 -6.183 7.433 9.093 370 HB2 LEU 45 2HB LEU 45 -6.037 9.364 10.569 371 HB3 LEU 45 1HB LEU 45 -6.392 10.441 9.235 372 HD11 LEU 45 1HD1 LEU 45 -8.223 8.226 10.153 373 HD12 LEU 45 2HD1 LEU 45 -8.561 7.541 8.562 374 HD13 LEU 45 3HD1 LEU 45 -8.532 9.290 8.781 375 HD21 LEU 45 3HD2 LEU 45 -6.869 7.657 6.767 376 HD22 LEU 45 1HD2 LEU 45 -5.332 8.476 7.049 377 HD23 LEU 45 2HD2 LEU 45 -6.818 9.415 6.909 378 HA PRO 46 HA PRO 46 -2.306 13.187 10.221 379 HB2 PRO 46 2HB PRO 46 -4.506 14.949 9.330 380 HB3 PRO 46 1HB PRO 46 -2.782 15.022 8.954 381 HG2 PRO 46 2HG PRO 46 -4.560 14.233 7.124 382 HG3 PRO 46 1HG PRO 46 -2.958 13.482 7.232 383 HD2 PRO 46 2HD PRO 46 -5.598 12.468 8.212 384 HD3 PRO 46 1HD PRO 46 -4.285 11.590 7.401 385 H ASP 47 HN ASP 47 -5.566 12.401 10.926 386 HA ASP 47 HA ASP 47 -5.888 14.242 13.117 387 HB2 ASP 47 2HB ASP 47 -7.786 13.346 11.732 388 HB3 ASP 47 1HB ASP 47 -7.515 11.771 12.472 389 H GLY 48 HN GLY 48 -4.291 11.300 12.644 390 HA2 GLY 48 2HA GLY 48 -2.918 10.323 14.333 391 HA3 GLY 48 1HA GLY 48 -4.049 10.901 15.548 392 H THR 49 HN THR 49 -5.504 9.554 12.801 393 HA THR 49 HA THR 49 -6.413 7.272 14.337 394 HB THR 49 HB THR 49 -7.227 7.612 11.511 395 HG1 THR 49 1HG THR 49 -8.196 9.377 13.537 396 HG21 THR 49 3HG2 THR 49 -8.247 5.907 12.929 397 HG22 THR 49 1HG2 THR 49 -9.442 7.114 12.452 398 HG23 THR 49 2HG2 THR 49 -8.751 7.148 14.074 399 H ILE 50 HN ILE 50 -6.186 5.143 13.642 400 HA ILE 50 HA ILE 50 -4.218 4.643 11.509 401 HB ILE 50 HB ILE 50 -4.385 3.151 14.140 402 HG12 ILE 50 2HG1 ILE 50 -2.142 4.895 13.096 403 HG13 ILE 50 1HG1 ILE 50 -3.337 5.430 14.270 404 HG21 ILE 50 1HG2 ILE 50 -2.545 2.791 11.777 405 HG22 ILE 50 2HG2 ILE 50 -3.797 1.673 12.321 406 HG23 ILE 50 3HG2 ILE 50 -2.380 1.966 13.328 407 HD11 ILE 50 3HD1 ILE 50 -1.276 4.795 15.359 408 HD12 ILE 50 1HD1 ILE 50 -1.370 3.187 14.642 409 HD13 ILE 50 2HD1 ILE 50 -2.580 3.698 15.820 410 H LYS 51 HN LYS 51 -5.274 3.588 9.934 411 HA LYS 51 HA LYS 51 -7.116 1.441 10.650 412 HB2 LYS 51 2HB LYS 51 -8.376 3.663 10.468 413 HB3 LYS 51 1HB LYS 51 -7.989 3.619 8.756 414 HG2 LYS 51 2HG LYS 51 -9.209 1.526 8.514 415 HG3 LYS 51 1HG LYS 51 -9.572 1.528 10.241 416 HD2 LYS 51 2HD LYS 51 -10.751 3.699 9.924 417 HD3 LYS 51 1HD LYS 51 -10.488 3.537 8.187 418 HE2 LYS 51 2HE LYS 51 -12.004 1.588 9.917 419 HE3 LYS 51 1HE LYS 51 -12.734 2.799 8.867 420 HZ1 LYS 51 3HZ LYS 51 -10.989 0.578 7.951 421 HZ2 LYS 51 1HZ LYS 51 -11.765 1.712 6.957 422 HZ3 LYS 51 2HZ LYS 51 -12.674 0.588 7.848 423 H ARG 52 HN ARG 52 -7.419 -0.071 9.014 424 HA ARG 52 HA ARG 52 -5.520 0.074 6.816 425 HE ARG 52 HE ARG 52 -4.534 -3.704 10.283 426 HB2 ARG 52 2HB ARG 52 -7.438 -2.146 7.554 427 HB3 ARG 52 1HB ARG 52 -6.167 -2.236 6.344 428 HG2 ARG 52 2HG ARG 52 -4.489 -1.909 8.123 429 HG3 ARG 52 1HG ARG 52 -5.793 -1.925 9.318 430 HD2 ARG 52 2HD ARG 52 -6.444 -4.171 8.406 431 HD3 ARG 52 1HD ARG 52 -4.952 -4.148 7.472 432 HH11 ARG 52 1HH1 ARG 52 -4.918 -6.153 7.799 433 HH12 ARG 52 2HH1 ARG 52 -4.101 -7.388 8.712 434 HH21 ARG 52 1HH2 ARG 52 -3.451 -5.332 11.481 435 HH22 ARG 52 2HH2 ARG 52 -3.284 -6.926 10.807 436 H MET 53 HN MET 53 -6.079 0.807 4.890 437 HA MET 53 HA MET 53 -8.927 0.736 4.139 438 HB2 MET 53 2HB MET 53 -7.093 3.120 3.842 439 HB3 MET 53 1HB MET 53 -8.679 2.984 3.093 440 HG2 MET 53 2HG MET 53 -9.616 2.686 5.417 441 HG3 MET 53 1HG MET 53 -8.030 3.166 6.019 442 HE1 MET 53 3HE MET 53 -6.935 5.587 5.481 443 HE2 MET 53 1HE MET 53 -7.743 6.819 4.514 444 HE3 MET 53 2HE MET 53 -7.203 5.317 3.760 445 H ARG 54 HN ARG 54 -9.374 0.689 1.919 446 HA ARG 54 HA ARG 54 -7.413 -0.819 0.465 447 HE ARG 54 HE ARG 54 -11.805 -0.564 1.240 448 HB2 ARG 54 2HB ARG 54 -10.205 0.107 -0.185 449 HB3 ARG 54 1HB ARG 54 -9.215 -0.801 -1.324 450 HG2 ARG 54 2HG ARG 54 -9.216 -2.710 0.013 451 HG3 ARG 54 1HG ARG 54 -9.732 -1.818 1.446 452 HD2 ARG 54 2HD ARG 54 -11.417 -2.199 -1.019 453 HD3 ARG 54 1HD ARG 54 -11.515 -3.219 0.416 454 HH11 ARG 54 1HH1 ARG 54 -13.517 -2.930 -0.682 455 HH12 ARG 54 2HH1 ARG 54 -15.091 -2.275 -0.352 456 HH21 ARG 54 1HH2 ARG 54 -13.856 0.310 1.720 457 HH22 ARG 54 2HH2 ARG 54 -15.288 -0.420 1.046 458 H VAL 55 HN VAL 55 -5.834 0.047 -0.596 459 HA VAL 55 HA VAL 55 -6.137 2.750 -1.717 460 HB VAL 55 HB VAL 55 -3.547 1.246 -1.263 461 HG11 VAL 55 1HG1 VAL 55 -4.122 4.169 -1.725 462 HG12 VAL 55 2HG1 VAL 55 -3.387 3.050 -2.873 463 HG13 VAL 55 3HG1 VAL 55 -2.535 3.480 -1.390 464 HG21 VAL 55 3HG2 VAL 55 -4.899 3.222 0.570 465 HG22 VAL 55 1HG2 VAL 55 -3.253 2.623 0.764 466 HG23 VAL 55 2HG2 VAL 55 -4.618 1.513 0.892 467 H CYS 56 HN CYS 56 -5.504 3.114 -3.892 468 HA CYS 56 HA CYS 56 -5.685 0.737 -5.548 469 HG CYS 56 HG CYS 56 -6.220 5.107 -7.114 470 HB2 CYS 56 2HB CYS 56 -5.722 2.370 -7.439 471 HB3 CYS 56 1HB CYS 56 -7.012 2.602 -6.268 472 H THR 57 HN THR 57 -4.123 0.090 -7.054 473 HA THR 57 HA THR 57 -1.463 0.158 -6.223 474 HB THR 57 HB THR 57 -2.294 -0.346 -9.077 475 HG1 THR 57 1HG THR 57 -2.887 -1.798 -6.727 476 HG21 THR 57 3HG2 THR 57 -0.536 -2.028 -8.994 477 HG22 THR 57 1HG2 THR 57 -0.250 -1.672 -7.290 478 HG23 THR 57 2HG2 THR 57 0.110 -0.457 -8.516 479 H SER 58 HN SER 58 -3.232 2.335 -8.295 480 HA SER 58 HA SER 58 -1.116 3.648 -9.570 481 HG SER 58 HG SER 58 -3.602 4.107 -11.212 482 HB2 SER 58 2HB SER 58 -3.715 4.876 -8.611 483 HB3 SER 58 1HB SER 58 -2.682 5.467 -9.916 484 H CYS 59 HN CYS 59 -2.602 4.138 -6.394 485 HA CYS 59 HA CYS 59 -0.938 6.353 -5.690 486 HG CYS 59 HG CYS 59 -4.521 5.895 -5.478 487 HB2 CYS 59 2HB CYS 59 -2.724 4.532 -4.068 488 HB3 CYS 59 1HB CYS 59 -1.856 5.897 -3.387 489 H LEU 60 HN LEU 60 -0.837 2.868 -5.271 490 HA LEU 60 HA LEU 60 1.192 2.645 -3.380 491 HG LEU 60 HG LEU 60 -1.218 0.655 -4.069 492 HB2 LEU 60 2HB LEU 60 0.467 0.896 -5.715 493 HB3 LEU 60 1HB LEU 60 1.738 0.470 -4.595 494 HD11 LEU 60 1HD1 LEU 60 -0.386 -1.429 -4.975 495 HD12 LEU 60 2HD1 LEU 60 -0.874 -1.641 -3.294 496 HD13 LEU 60 3HD1 LEU 60 0.836 -1.518 -3.706 497 HD21 LEU 60 3HD2 LEU 60 -0.758 0.266 -1.707 498 HD22 LEU 60 1HD2 LEU 60 -0.069 1.803 -2.228 499 HD23 LEU 60 2HD2 LEU 60 0.976 0.398 -2.006 500 H LYS 61 HN LYS 61 1.510 2.692 -6.930 501 HA LYS 61 HA LYS 61 4.388 2.797 -6.719 502 HB2 LYS 61 2HB LYS 61 4.418 2.759 -9.141 503 HB3 LYS 61 1HB LYS 61 3.336 1.520 -8.533 504 HG2 LYS 61 2HG LYS 61 1.413 2.883 -9.090 505 HG3 LYS 61 1HG LYS 61 2.474 4.192 -9.618 506 HD2 LYS 61 2HD LYS 61 2.343 1.434 -10.838 507 HD3 LYS 61 1HD LYS 61 1.623 2.894 -11.517 508 HE2 LYS 61 2HE LYS 61 3.818 3.902 -11.757 509 HE3 LYS 61 1HE LYS 61 4.572 2.505 -10.989 510 HZ1 LYS 61 3HZ LYS 61 4.747 2.476 -13.426 511 HZ2 LYS 61 1HZ LYS 61 3.057 2.418 -13.544 512 HZ3 LYS 61 2HZ LYS 61 3.904 1.128 -12.830 513 H SER 62 HN SER 62 2.022 5.060 -6.390 514 HA SER 62 HA SER 62 3.507 7.245 -7.587 515 HG SER 62 HG SER 62 2.458 9.191 -7.442 516 HB2 SER 62 2HB SER 62 0.984 7.194 -7.505 517 HB3 SER 62 1HB SER 62 1.094 7.404 -5.758 518 H GLY 63 HN GLY 63 2.981 5.755 -4.478 519 HA2 GLY 63 2HA GLY 63 4.088 5.941 -2.489 520 HA3 GLY 63 1HA GLY 63 5.400 6.674 -3.401 521 H LYS 64 HN LYS 64 2.075 7.789 -2.791 522 HA LYS 64 HA LYS 64 3.212 10.012 -1.268 523 HB2 LYS 64 2HB LYS 64 1.472 11.504 -2.415 524 HB3 LYS 64 1HB LYS 64 2.912 11.075 -3.318 525 HG2 LYS 64 2HG LYS 64 1.201 10.860 -4.866 526 HG3 LYS 64 1HG LYS 64 1.490 9.204 -4.337 527 HD2 LYS 64 2HD LYS 64 -0.449 9.225 -2.955 528 HD3 LYS 64 1HD LYS 64 -0.659 10.964 -3.170 529 HE2 LYS 64 2HE LYS 64 -0.908 8.863 -5.323 530 HE3 LYS 64 1HE LYS 64 -2.244 9.708 -4.541 531 HZ1 LYS 64 3HZ LYS 64 -1.773 10.720 -6.656 532 HZ2 LYS 64 1HZ LYS 64 -0.142 10.934 -6.243 533 HZ3 LYS 64 2HZ LYS 64 -1.341 11.802 -5.421 534 H VAL 65 HN VAL 65 1.933 7.637 -0.342 535 HA VAL 65 HA VAL 65 -0.524 8.777 0.816 536 HB VAL 65 HB VAL 65 -1.187 6.438 1.358 537 HG11 VAL 65 1HG1 VAL 65 -0.683 7.029 -1.556 538 HG12 VAL 65 2HG1 VAL 65 -2.098 7.500 -0.614 539 HG13 VAL 65 3HG1 VAL 65 -1.790 5.796 -0.952 540 HG21 VAL 65 3HG2 VAL 65 -0.044 4.574 0.251 541 HG22 VAL 65 1HG2 VAL 65 1.031 5.415 1.371 542 HG23 VAL 65 2HG2 VAL 65 1.176 5.689 -0.366 543 H LYS 66 HN LYS 66 -0.845 8.516 3.084 544 HA LYS 66 HA LYS 66 1.669 8.525 4.530 545 HB2 LYS 66 2HB LYS 66 -1.153 9.196 5.379 546 HB3 LYS 66 1HB LYS 66 0.228 9.235 6.470 547 HG2 LYS 66 2HG LYS 66 1.303 10.907 5.041 548 HG3 LYS 66 1HG LYS 66 -0.098 10.885 3.972 549 HD2 LYS 66 2HD LYS 66 -1.510 11.729 5.744 550 HD3 LYS 66 1HD LYS 66 -0.172 11.639 6.895 551 HE2 LYS 66 2HE LYS 66 1.068 13.287 5.581 552 HE3 LYS 66 1HE LYS 66 -0.260 13.367 4.425 553 HZ1 LYS 66 3HZ LYS 66 -1.664 14.329 6.033 554 HZ2 LYS 66 1HZ LYS 66 -0.200 15.177 6.119 555 HZ3 LYS 66 2HZ LYS 66 -0.577 14.014 7.301 556 H LYS 67 HN LYS 67 2.438 6.630 4.992 557 HA LYS 67 HA LYS 67 0.658 4.368 5.476 558 HB2 LYS 67 2HB LYS 67 3.586 4.626 4.837 559 HB3 LYS 67 1HB LYS 67 2.872 3.096 5.324 560 HG2 LYS 67 2HG LYS 67 1.524 3.016 3.383 561 HG3 LYS 67 1HG LYS 67 1.911 4.688 2.963 562 HD2 LYS 67 2HD LYS 67 4.206 4.107 2.549 563 HD3 LYS 67 1HD LYS 67 3.939 2.466 3.137 564 HE2 LYS 67 2HE LYS 67 2.588 1.920 1.266 565 HE3 LYS 67 1HE LYS 67 2.483 3.610 0.767 566 HZ1 LYS 67 3HZ LYS 67 4.662 3.609 0.026 567 HZ2 LYS 67 1HZ LYS 67 4.105 2.084 -0.465 568 HZ3 LYS 67 2HZ LYS 67 5.087 2.232 0.908 569 H TYR 68 HN TYR 68 0.705 3.113 7.302 570 HA TYR 68 HA TYR 68 2.368 4.066 9.543 571 HD1 TYR 68 1HD TYR 68 1.678 4.735 11.853 572 HD2 TYR 68 2HD TYR 68 -0.113 0.900 11.431 573 HE1 TYR 68 1HE TYR 68 2.112 4.274 14.230 574 HE2 TYR 68 2HE TYR 68 0.323 0.429 13.803 575 HH TYR 68 HH TYR 68 1.246 2.819 16.032 576 HB2 TYR 68 2HB TYR 68 -0.093 4.034 9.941 577 HB3 TYR 68 1HB TYR 68 -0.109 2.307 9.617 578 H VAL 69 HN VAL 69 3.626 2.744 7.588 579 HA VAL 69 HA VAL 69 5.054 1.058 7.130 580 HB VAL 69 HB VAL 69 4.373 0.023 9.889 581 HG11 VAL 69 1HG1 VAL 69 6.620 -0.696 8.007 582 HG12 VAL 69 2HG1 VAL 69 5.297 -1.744 8.519 583 HG13 VAL 69 3HG1 VAL 69 6.506 -1.213 9.688 584 HG21 VAL 69 3HG2 VAL 69 6.689 1.708 8.943 585 HG22 VAL 69 1HG2 VAL 69 6.482 1.065 10.573 586 HG23 VAL 69 2HG2 VAL 69 5.345 2.260 9.943 587 H GLY 70 HN GLY 70 4.159 0.016 5.483 588 HA2 GLY 70 2HA GLY 70 2.902 -2.519 5.982 589 HA3 GLY 70 1HA GLY 70 1.822 -1.340 5.252 590 H GLN 71 HN GLN 71 3.747 -3.850 4.564 591 HA GLN 71 HA GLN 71 4.586 -4.743 2.666 592 HB2 GLN 71 2HB GLN 71 3.390 -2.333 1.288 593 HB3 GLN 71 1HB GLN 71 4.069 -3.735 0.472 594 HG2 GLN 71 2HG GLN 71 2.363 -5.151 1.543 595 HG3 GLN 71 1HG GLN 71 1.663 -3.706 2.278 596 HE21 GLN 71 1HE2 GLN 71 0.622 -2.196 0.957 597 HE22 GLN 71 2HE2 GLN 71 0.068 -2.606 -0.626 598 H VAL 72 HN VAL 72 6.674 -4.528 3.397 599 HA VAL 72 HA VAL 72 8.210 -2.189 2.620 600 HB VAL 72 HB VAL 72 8.634 -3.255 4.812 601 HG11 VAL 72 1HG1 VAL 72 8.219 -5.568 4.249 602 HG12 VAL 72 2HG1 VAL 72 9.839 -5.394 4.927 603 HG13 VAL 72 3HG1 VAL 72 9.626 -5.590 3.186 604 HG21 VAL 72 3HG2 VAL 72 10.400 -1.947 3.782 605 HG22 VAL 72 1HG2 VAL 72 10.976 -3.370 2.914 606 HG23 VAL 72 2HG2 VAL 72 11.083 -3.306 4.673 607 H SER 73 HN SER 73 9.871 -2.204 1.112 608 HA SER 73 HA SER 73 10.897 -2.706 -0.843 609 HG SER 73 HG SER 73 12.780 -4.147 0.230 610 HB2 SER 73 2HB SER 73 10.353 -5.581 -0.049 611 HB3 SER 73 1HB SER 73 11.474 -5.058 -1.307 612 H GLU 74 HN GLU 74 9.054 -1.658 -1.788 613 HA GLU 74 HA GLU 74 6.849 -3.256 -2.769 614 HB2 GLU 74 2HB GLU 74 7.511 -0.339 -3.217 615 HB3 GLU 74 1HB GLU 74 5.991 -1.121 -3.626 616 HG2 GLU 74 2HG GLU 74 5.492 -1.491 -1.311 617 HG3 GLU 74 1HG GLU 74 7.092 -0.919 -0.836 618 H VAL 75 HN VAL 75 6.378 -3.681 -4.905 619 HA VAL 75 HA VAL 75 8.611 -3.400 -6.780 620 HB VAL 75 HB VAL 75 6.092 -5.051 -7.068 621 HG11 VAL 75 1HG1 VAL 75 7.013 -4.425 -9.219 622 HG12 VAL 75 2HG1 VAL 75 7.309 -6.138 -8.915 623 HG13 VAL 75 3HG1 VAL 75 8.615 -4.970 -8.718 624 HG21 VAL 75 3HG2 VAL 75 7.512 -5.872 -5.255 625 HG22 VAL 75 1HG2 VAL 75 8.893 -5.916 -6.352 626 HG23 VAL 75 2HG2 VAL 75 7.517 -6.984 -6.622 627 H GLY 76 HN GLY 76 8.506 -1.411 -7.651 628 HA2 GLY 76 2HA GLY 76 5.962 -0.238 -8.410 629 HA3 GLY 76 1HA GLY 76 7.546 0.510 -8.558 630 H SER 77 HN SER 77 5.338 -1.811 -9.986 631 HA SER 77 HA SER 77 6.901 -2.079 -12.388 632 HG SER 77 HG SER 77 4.802 -3.071 -14.082 633 HB2 SER 77 2HB SER 77 5.433 -3.904 -11.440 634 HB3 SER 77 1HB SER 77 4.038 -2.942 -11.920 Start of MODEL 19 1 HA GLN 1 HA GLN 1 -25.809 10.412 -12.370 2 H1 GLN 1 1HT GLN 1 -24.889 12.384 -13.243 3 H2 GLN 1 2HT GLN 1 -24.624 13.032 -11.699 4 H3 GLN 1 3HT GLN 1 -26.207 12.831 -12.270 5 HB2 GLN 1 2HB GLN 1 -23.312 11.203 -10.846 6 HB3 GLN 1 1HB GLN 1 -23.905 9.556 -11.020 7 HG2 GLN 1 2HG GLN 1 -23.583 9.648 -13.410 8 HG3 GLN 1 1HG GLN 1 -23.094 11.338 -13.305 9 HE21 GLN 1 1HE2 GLN 1 -21.663 8.997 -14.339 10 HE22 GLN 1 2HE2 GLN 1 -20.175 8.940 -13.454 11 H GLY 2 HN GLY 2 -27.635 10.263 -11.254 12 HA2 GLY 2 2HA GLY 2 -27.971 11.601 -8.710 13 HA3 GLY 2 1HA GLY 2 -29.176 10.646 -9.559 14 H HIS 3 HN HIS 3 -27.197 8.394 -9.790 15 HA HIS 3 HA HIS 3 -27.784 7.240 -7.182 16 HD1 HIS 3 1HD HIS 3 -29.314 4.825 -7.320 17 HD2 HIS 3 2HD HIS 3 -28.897 6.105 -11.256 18 HE1 HIS 3 1HE HIS 3 -31.522 4.345 -8.428 19 HE2 HIS 3 2HE HIS 3 -31.155 4.907 -10.855 20 HB2 HIS 3 2HB HIS 3 -26.648 6.047 -9.719 21 HB3 HIS 3 1HB HIS 3 -26.797 5.145 -8.215 22 H MET 4 HN MET 4 -26.120 6.153 -5.933 23 HA MET 4 HA MET 4 -23.663 7.643 -5.864 24 HB2 MET 4 2HB MET 4 -24.909 6.713 -3.841 25 HB3 MET 4 1HB MET 4 -24.300 5.132 -4.308 26 HG2 MET 4 2HG MET 4 -22.445 7.436 -3.851 27 HG3 MET 4 1HG MET 4 -23.041 6.463 -2.511 28 HE1 MET 4 3HE MET 4 -21.624 2.924 -3.369 29 HE2 MET 4 1HE MET 4 -23.222 3.591 -3.702 30 HE3 MET 4 2HE MET 4 -22.443 3.902 -2.150 31 H ILE 5 HN ILE 5 -22.588 7.269 -7.739 32 HA ILE 5 HA ILE 5 -22.306 4.739 -8.950 33 HB ILE 5 HB ILE 5 -20.535 5.770 -10.342 34 HG12 ILE 5 2HG1 ILE 5 -19.700 7.354 -8.543 35 HG13 ILE 5 1HG1 ILE 5 -19.874 8.043 -10.150 36 HG21 ILE 5 1HG2 ILE 5 -21.997 7.371 -11.470 37 HG22 ILE 5 2HG2 ILE 5 -23.061 7.381 -10.063 38 HG23 ILE 5 3HG2 ILE 5 -22.855 5.903 -11.002 39 HD11 ILE 5 3HD1 ILE 5 -21.954 9.115 -9.474 40 HD12 ILE 5 1HD1 ILE 5 -20.624 9.580 -8.411 41 HD13 ILE 5 2HD1 ILE 5 -21.813 8.395 -7.870 42 H MET 6 HN MET 6 -21.374 3.107 -7.984 43 HA MET 6 HA MET 6 -18.852 3.598 -6.545 44 HB2 MET 6 2HB MET 6 -19.373 1.607 -5.192 45 HB3 MET 6 1HB MET 6 -20.595 2.860 -5.027 46 HG2 MET 6 2HG MET 6 -22.047 1.640 -6.570 47 HG3 MET 6 1HG MET 6 -20.821 0.384 -6.723 48 HE1 MET 6 3HE MET 6 -22.626 -1.469 -6.048 49 HE2 MET 6 1HE MET 6 -23.837 -0.192 -5.930 50 HE3 MET 6 2HE MET 6 -23.637 -1.344 -4.609 51 H ALA 7 HN ALA 7 -17.175 2.209 -6.786 52 HA ALA 7 HA ALA 7 -17.221 -0.170 -8.340 53 HB1 ALA 7 1HB ALA 7 -17.338 1.432 -10.203 54 HB2 ALA 7 2HB ALA 7 -15.787 0.598 -10.180 55 HB3 ALA 7 3HB ALA 7 -15.904 2.253 -9.589 56 H LYS 8 HN LYS 8 -14.736 -0.812 -8.685 57 HA LYS 8 HA LYS 8 -13.523 -0.549 -6.140 58 HB2 LYS 8 2HB LYS 8 -11.613 -1.777 -7.075 59 HB3 LYS 8 1HB LYS 8 -13.137 -2.564 -7.433 60 HG2 LYS 8 2HG LYS 8 -11.994 -0.741 -9.481 61 HG3 LYS 8 1HG LYS 8 -11.230 -2.309 -9.237 62 HD2 LYS 8 2HD LYS 8 -13.546 -3.316 -9.495 63 HD3 LYS 8 1HD LYS 8 -14.064 -1.727 -10.061 64 HE2 LYS 8 2HE LYS 8 -12.470 -1.809 -11.876 65 HE3 LYS 8 1HE LYS 8 -11.815 -3.330 -11.278 66 HZ1 LYS 8 3HZ LYS 8 -13.268 -3.836 -13.051 67 HZ2 LYS 8 1HZ LYS 8 -14.505 -2.849 -12.432 68 HZ3 LYS 8 2HZ LYS 8 -14.081 -4.284 -11.632 69 H ARG 9 HN ARG 9 -12.702 1.270 -5.421 70 HA ARG 9 HA ARG 9 -10.810 2.748 -7.091 71 HE ARG 9 HE ARG 9 -13.440 6.710 -6.601 72 HB2 ARG 9 2HB ARG 9 -11.889 4.884 -6.482 73 HB3 ARG 9 1HB ARG 9 -12.939 3.868 -7.452 74 HG2 ARG 9 2HG ARG 9 -14.049 3.134 -5.342 75 HG3 ARG 9 1HG ARG 9 -13.089 4.338 -4.484 76 HD2 ARG 9 2HD ARG 9 -15.009 4.911 -6.738 77 HD3 ARG 9 1HD ARG 9 -15.359 5.129 -5.026 78 HH11 ARG 9 1HH1 ARG 9 -15.365 6.246 -3.706 79 HH12 ARG 9 2HH1 ARG 9 -15.195 7.899 -3.176 80 HH21 ARG 9 1HH2 ARG 9 -13.220 8.883 -5.905 81 HH22 ARG 9 2HH2 ARG 9 -13.939 9.380 -4.401 82 H CYS 10 HN CYS 10 -9.387 4.120 -5.858 83 HA CYS 10 HA CYS 10 -8.685 3.080 -3.317 84 HG CYS 10 HG CYS 10 -6.512 4.057 -1.954 85 HB2 CYS 10 2HB CYS 10 -7.017 4.057 -4.814 86 HB3 CYS 10 1HB CYS 10 -7.805 5.625 -4.690 87 H GLU 11 HN GLU 11 -9.260 3.689 -1.316 88 HA GLU 11 HA GLU 11 -11.387 5.615 -1.035 89 HB2 GLU 11 2HB GLU 11 -9.929 3.987 1.051 90 HB3 GLU 11 1HB GLU 11 -11.395 4.920 1.321 91 HG2 GLU 11 2HG GLU 11 -12.577 3.510 -0.291 92 HG3 GLU 11 1HG GLU 11 -11.113 2.560 -0.524 93 H VAL 12 HN VAL 12 -8.199 6.058 -1.364 94 HA VAL 12 HA VAL 12 -8.001 8.175 0.656 95 HB VAL 12 HB VAL 12 -5.820 7.033 -1.104 96 HG11 VAL 12 1HG1 VAL 12 -4.284 8.207 0.384 97 HG12 VAL 12 2HG1 VAL 12 -5.647 8.883 1.275 98 HG13 VAL 12 3HG1 VAL 12 -5.384 9.335 -0.409 99 HG21 VAL 12 3HG2 VAL 12 -5.025 5.898 0.909 100 HG22 VAL 12 1HG2 VAL 12 -6.651 5.373 0.478 101 HG23 VAL 12 2HG2 VAL 12 -6.417 6.506 1.808 102 H CYS 13 HN CYS 13 -7.109 7.685 -2.773 103 HA CYS 13 HA CYS 13 -7.382 10.576 -3.178 104 HG CYS 13 HG CYS 13 -4.780 10.646 -2.611 105 HB2 CYS 13 2HB CYS 13 -6.060 8.483 -4.913 106 HB3 CYS 13 1HB CYS 13 -6.070 10.215 -5.230 107 H GLY 14 HN GLY 14 -8.870 7.570 -4.007 108 HA2 GLY 14 2HA GLY 14 -11.140 7.554 -4.707 109 HA3 GLY 14 1HA GLY 14 -10.879 9.105 -5.482 110 H LYS 15 HN LYS 15 -8.257 7.632 -6.499 111 HA LYS 15 HA LYS 15 -9.445 7.071 -9.055 112 HB2 LYS 15 2HB LYS 15 -6.577 7.016 -8.117 113 HB3 LYS 15 1HB LYS 15 -7.067 6.646 -9.765 114 HG2 LYS 15 2HG LYS 15 -8.119 8.905 -9.881 115 HG3 LYS 15 1HG LYS 15 -7.403 9.255 -8.308 116 HD2 LYS 15 2HD LYS 15 -5.821 8.418 -10.732 117 HD3 LYS 15 1HD LYS 15 -6.101 10.099 -10.277 118 HE2 LYS 15 2HE LYS 15 -5.018 9.646 -8.100 119 HE3 LYS 15 1HE LYS 15 -4.668 8.006 -8.648 120 HZ1 LYS 15 3HZ LYS 15 -3.296 8.862 -10.387 121 HZ2 LYS 15 1HZ LYS 15 -2.790 9.559 -8.926 122 HZ3 LYS 15 2HZ LYS 15 -3.721 10.463 -10.021 123 H ALA 16 HN ALA 16 -9.383 5.172 -10.214 124 HA ALA 16 HA ALA 16 -9.799 2.814 -8.627 125 HB1 ALA 16 1HB ALA 16 -11.255 3.390 -10.522 126 HB2 ALA 16 2HB ALA 16 -10.513 1.802 -10.724 127 HB3 ALA 16 3HB ALA 16 -9.891 3.186 -11.622 128 HA PRO 17 HA PRO 17 -5.859 0.900 -9.233 129 HB2 PRO 17 2HB PRO 17 -6.468 -1.698 -8.944 130 HB3 PRO 17 1HB PRO 17 -6.637 -0.555 -7.609 131 HG2 PRO 17 2HG PRO 17 -8.745 -1.626 -9.446 132 HG3 PRO 17 1HG PRO 17 -8.788 -1.434 -7.684 133 HD2 PRO 17 2HD PRO 17 -9.905 0.347 -9.429 134 HD3 PRO 17 1HD PRO 17 -9.312 0.791 -7.816 135 H ARG 18 HN ARG 18 -5.009 1.129 -11.211 136 HA ARG 18 HA ARG 18 -6.086 -0.465 -13.413 137 HE ARG 18 HE ARG 18 -7.764 4.078 -14.479 138 HB2 ARG 18 2HB ARG 18 -4.079 1.798 -13.440 139 HB3 ARG 18 1HB ARG 18 -4.689 0.962 -14.866 140 HG2 ARG 18 2HG ARG 18 -6.934 1.747 -14.401 141 HG3 ARG 18 1HG ARG 18 -6.370 2.525 -12.920 142 HD2 ARG 18 2HD ARG 18 -4.913 3.981 -14.250 143 HD3 ARG 18 1HD ARG 18 -5.499 3.210 -15.726 144 HH11 ARG 18 1HH1 ARG 18 -4.800 5.605 -15.571 145 HH12 ARG 18 2HH1 ARG 18 -5.545 7.163 -15.812 146 HH21 ARG 18 1HH2 ARG 18 -8.748 6.107 -14.826 147 HH22 ARG 18 2HH2 ARG 18 -7.791 7.441 -15.408 148 H SER 19 HN SER 19 -5.283 -2.450 -12.738 149 HA SER 19 HA SER 19 -2.375 -2.722 -12.592 150 HG SER 19 HG SER 19 -4.661 -3.644 -10.074 151 HB2 SER 19 2HB SER 19 -4.533 -4.724 -11.865 152 HB3 SER 19 1HB SER 19 -2.804 -4.896 -11.565 153 H GLY 20 HN GLY 20 -1.604 -2.878 -14.612 154 HA2 GLY 20 2HA GLY 20 -2.945 -4.729 -16.478 155 HA3 GLY 20 1HA GLY 20 -1.860 -3.424 -16.952 156 H ASN 21 HN ASN 21 -0.310 -4.471 -14.429 157 HA ASN 21 HA ASN 21 1.346 -6.352 -15.916 158 HB2 ASN 21 2HB ASN 21 1.766 -5.041 -13.212 159 HB3 ASN 21 1HB ASN 21 2.925 -6.102 -14.006 160 HD21 ASN 21 1HD2 ASN 21 4.146 -5.345 -15.690 161 HD22 ASN 21 2HD2 ASN 21 4.183 -3.673 -16.148 162 H THR 22 HN THR 22 -0.883 -6.213 -13.282 163 HA THR 22 HA THR 22 -1.905 -7.754 -11.987 164 HB THR 22 HB THR 22 -1.117 -9.760 -14.107 165 HG1 THR 22 1HG THR 22 -3.596 -8.473 -14.233 166 HG21 THR 22 3HG2 THR 22 -2.150 -10.701 -12.083 167 HG22 THR 22 1HG2 THR 22 -3.213 -10.849 -13.484 168 HG23 THR 22 2HG2 THR 22 -3.517 -9.599 -12.275 169 H VAL 23 HN VAL 23 -0.145 -7.432 -10.431 170 HA VAL 23 HA VAL 23 1.153 -10.007 -9.852 171 HB VAL 23 HB VAL 23 2.468 -7.306 -9.454 172 HG11 VAL 23 1HG1 VAL 23 4.442 -8.636 -8.797 173 HG12 VAL 23 2HG1 VAL 23 3.455 -10.094 -8.879 174 HG13 VAL 23 3HG1 VAL 23 3.077 -8.840 -7.699 175 HG21 VAL 23 3HG2 VAL 23 2.483 -7.926 -11.806 176 HG22 VAL 23 1HG2 VAL 23 3.152 -9.508 -11.400 177 HG23 VAL 23 2HG2 VAL 23 4.105 -8.050 -11.122 178 H SER 24 HN SER 24 0.392 -10.723 -7.954 179 HA SER 24 HA SER 24 0.098 -8.819 -5.760 180 HG SER 24 HG SER 24 -1.663 -8.001 -7.074 181 HB2 SER 24 2HB SER 24 -2.126 -10.720 -6.543 182 HB3 SER 24 1HB SER 24 -2.142 -9.575 -5.199 183 H HIS 25 HN HIS 25 1.539 -9.641 -4.399 184 HA HIS 25 HA HIS 25 1.281 -12.493 -3.675 185 HD1 HIS 25 1HD HIS 25 4.056 -14.359 -4.245 186 HD2 HIS 25 2HD HIS 25 3.399 -11.021 -6.637 187 HE1 HIS 25 1HE HIS 25 4.537 -15.106 -6.600 188 HE2 HIS 25 2HE HIS 25 3.957 -13.120 -8.044 189 HB2 HIS 25 2HB HIS 25 3.742 -10.749 -3.780 190 HB3 HIS 25 1HB HIS 25 3.697 -12.279 -2.916 191 H SER 26 HN SER 26 0.243 -12.611 -1.793 192 HA SER 26 HA SER 26 1.213 -10.924 0.406 193 HG SER 26 HG SER 26 -0.048 -9.460 -0.889 194 HB2 SER 26 2HB SER 26 -1.709 -11.520 -0.134 195 HB3 SER 26 1HB SER 26 -1.065 -10.571 1.208 196 H ASP 27 HN ASP 27 1.304 -13.835 -0.648 197 HA ASP 27 HA ASP 27 1.438 -15.155 1.836 198 HB2 ASP 27 2HB ASP 27 -0.978 -15.103 1.841 199 HB3 ASP 27 1HB ASP 27 -1.050 -15.652 0.175 200 H LYS 28 HN LYS 28 0.044 -16.554 -1.000 201 HA LYS 28 HA LYS 28 2.333 -17.514 -2.340 202 HB2 LYS 28 2HB LYS 28 1.049 -19.322 -0.292 203 HB3 LYS 28 1HB LYS 28 1.712 -20.002 -1.769 204 HG2 LYS 28 2HG LYS 28 3.279 -18.363 0.209 205 HG3 LYS 28 1HG LYS 28 3.231 -20.126 0.175 206 HD2 LYS 28 2HD LYS 28 4.201 -18.347 -2.065 207 HD3 LYS 28 1HD LYS 28 5.228 -19.250 -0.950 208 HE2 LYS 28 2HE LYS 28 4.144 -21.344 -1.759 209 HE3 LYS 28 1HE LYS 28 3.287 -20.380 -2.960 210 HZ1 LYS 28 3HZ LYS 28 6.224 -20.756 -2.735 211 HZ2 LYS 28 1HZ LYS 28 5.490 -19.658 -3.800 212 HZ3 LYS 28 2HZ LYS 28 5.210 -21.324 -3.970 213 H LYS 29 HN LYS 29 -0.859 -18.518 -1.260 214 HA LYS 29 HA LYS 29 -1.845 -19.068 -3.905 215 HB2 LYS 29 2HB LYS 29 -2.795 -20.324 -2.122 216 HB3 LYS 29 1HB LYS 29 -3.092 -18.883 -1.165 217 HG2 LYS 29 2HG LYS 29 -4.758 -18.198 -2.929 218 HG3 LYS 29 1HG LYS 29 -4.568 -19.817 -3.608 219 HD2 LYS 29 2HD LYS 29 -6.507 -19.613 -2.059 220 HD3 LYS 29 1HD LYS 29 -5.326 -20.824 -1.549 221 HE2 LYS 29 2HE LYS 29 -4.363 -19.248 0.035 222 HE3 LYS 29 1HE LYS 29 -5.482 -17.998 -0.502 223 HZ1 LYS 29 3HZ LYS 29 -6.110 -19.132 1.593 224 HZ2 LYS 29 1HZ LYS 29 -6.350 -20.563 0.715 225 HZ3 LYS 29 2HZ LYS 29 -7.305 -19.195 0.391 226 H SER 30 HN SER 30 -2.582 -16.652 -1.413 227 HA SER 30 HA SER 30 -3.355 -14.528 -1.476 228 HG SER 30 HG SER 30 -0.221 -14.729 -3.138 229 HB2 SER 30 2HB SER 30 -1.996 -14.383 -4.178 230 HB3 SER 30 1HB SER 30 -2.330 -13.046 -3.085 231 H GLU 31 HN GLU 31 -5.531 -15.648 -1.762 232 HA GLU 31 HA GLU 31 -6.695 -15.399 -4.399 233 HB2 GLU 31 2HB GLU 31 -8.732 -16.303 -3.382 234 HB3 GLU 31 1HB GLU 31 -7.335 -17.304 -3.021 235 HG2 GLU 31 2HG GLU 31 -7.202 -16.209 -0.802 236 HG3 GLU 31 1HG GLU 31 -8.710 -15.373 -1.175 237 H ARG 32 HN ARG 32 -8.824 -14.225 -4.642 238 HA ARG 32 HA ARG 32 -8.461 -11.576 -3.382 239 HE ARG 32 HE ARG 32 -5.608 -12.532 -8.126 240 HB2 ARG 32 2HB ARG 32 -9.410 -12.109 -6.199 241 HB3 ARG 32 1HB ARG 32 -8.978 -10.554 -5.496 242 HG2 ARG 32 2HG ARG 32 -6.658 -11.251 -5.321 243 HG3 ARG 32 1HG ARG 32 -7.070 -12.842 -5.964 244 HD2 ARG 32 2HD ARG 32 -7.862 -11.713 -8.044 245 HD3 ARG 32 1HD ARG 32 -7.245 -10.191 -7.394 246 HH11 ARG 32 1HH1 ARG 32 -5.906 -9.104 -7.420 247 HH12 ARG 32 2HH1 ARG 32 -4.256 -8.753 -7.842 248 HH21 ARG 32 1HH2 ARG 32 -3.479 -12.060 -8.768 249 HH22 ARG 32 2HH2 ARG 32 -2.883 -10.431 -8.633 250 H TRP 33 HN TRP 33 -10.094 -11.421 -1.952 251 HA TRP 33 HA TRP 33 -12.823 -11.715 -3.026 252 HD1 TRP 33 1HD TRP 33 -10.448 -14.416 -1.052 253 HE1 TRP 33 1HE TRP 33 -11.135 -16.749 -1.901 254 HE3 TRP 33 3HE TRP 33 -15.368 -13.467 -2.057 255 HZ2 TRP 33 2HZ TRP 33 -13.479 -18.008 -2.868 256 HZ3 TRP 33 3HZ TRP 33 -16.764 -15.290 -2.942 257 HH2 TRP 33 2HH TRP 33 -15.839 -17.512 -3.339 258 HB2 TRP 33 2HB TRP 33 -11.870 -12.325 -0.223 259 HB3 TRP 33 1HB TRP 33 -13.563 -12.250 -0.701 260 H PHE 34 HN PHE 34 -11.218 -10.326 -0.165 261 HA PHE 34 HA PHE 34 -13.051 -8.102 -0.162 262 HD1 PHE 34 1HD PHE 34 -14.013 -7.616 2.596 263 HD2 PHE 34 2HD PHE 34 -11.451 -10.984 2.156 264 HE1 PHE 34 1HE PHE 34 -15.563 -8.966 3.941 265 HE2 PHE 34 2HE PHE 34 -12.999 -12.340 3.503 266 HZ PHE 34 HZ PHE 34 -15.058 -11.331 4.396 267 HB2 PHE 34 2HB PHE 34 -10.690 -8.769 1.601 268 HB3 PHE 34 1HB PHE 34 -11.722 -7.361 1.835 269 H ARG 35 HN ARG 35 -10.114 -8.810 -1.600 270 HA ARG 35 HA ARG 35 -9.964 -6.132 -2.642 271 HE ARG 35 HE ARG 35 -4.761 -8.622 0.014 272 HB2 ARG 35 2HB ARG 35 -7.499 -5.933 -2.144 273 HB3 ARG 35 1HB ARG 35 -8.569 -5.752 -0.765 274 HG2 ARG 35 2HG ARG 35 -7.207 -7.180 0.261 275 HG3 ARG 35 1HG ARG 35 -7.985 -8.429 -0.714 276 HD2 ARG 35 2HD ARG 35 -6.259 -8.123 -2.442 277 HD3 ARG 35 1HD ARG 35 -5.467 -6.924 -1.420 278 HH11 ARG 35 1HH1 ARG 35 -6.693 -9.859 -2.623 279 HH12 ARG 35 2HH1 ARG 35 -6.273 -11.524 -2.331 280 HH21 ARG 35 1HH2 ARG 35 -4.164 -10.796 0.391 281 HH22 ARG 35 2HH2 ARG 35 -4.816 -12.058 -0.605 282 HA PRO 36 HA PRO 36 -9.074 -9.296 -5.802 283 HB2 PRO 36 2HB PRO 36 -10.709 -7.650 -7.547 284 HB3 PRO 36 1HB PRO 36 -10.989 -9.303 -6.998 285 HG2 PRO 36 2HG PRO 36 -12.518 -7.190 -6.203 286 HG3 PRO 36 1HG PRO 36 -12.260 -8.633 -5.208 287 HD2 PRO 36 2HD PRO 36 -10.937 -5.950 -5.039 288 HD3 PRO 36 1HD PRO 36 -11.507 -7.010 -3.731 289 H ASN 37 HN ASN 37 -9.488 -5.861 -6.670 290 HA ASN 37 HA ASN 37 -6.962 -6.009 -8.185 291 HB2 ASN 37 2HB ASN 37 -9.219 -5.499 -9.360 292 HB3 ASN 37 1HB ASN 37 -9.093 -3.918 -8.601 293 HD21 ASN 37 1HD2 ASN 37 -9.066 -4.741 -11.427 294 HD22 ASN 37 2HD2 ASN 37 -7.607 -4.083 -12.089 295 H LEU 38 HN LEU 38 -8.783 -4.348 -5.752 296 HA LEU 38 HA LEU 38 -6.771 -2.304 -5.322 297 HG LEU 38 HG LEU 38 -9.513 -1.733 -6.007 298 HB2 LEU 38 2HB LEU 38 -9.284 -3.071 -3.835 299 HB3 LEU 38 1HB LEU 38 -8.204 -1.802 -3.298 300 HD11 LEU 38 1HD1 LEU 38 -11.203 -0.274 -5.018 301 HD12 LEU 38 2HD1 LEU 38 -10.511 -0.553 -3.420 302 HD13 LEU 38 3HD1 LEU 38 -11.258 -1.886 -4.302 303 HD21 LEU 38 3HD2 LEU 38 -7.578 -0.282 -5.683 304 HD22 LEU 38 1HD2 LEU 38 -8.313 0.387 -4.224 305 HD23 LEU 38 2HD2 LEU 38 -9.061 0.666 -5.797 306 H GLN 39 HN GLN 39 -5.593 -2.151 -3.293 307 HA GLN 39 HA GLN 39 -5.493 -4.663 -1.755 308 HB2 GLN 39 2HB GLN 39 -3.259 -2.711 -2.322 309 HB3 GLN 39 1HB GLN 39 -3.145 -4.067 -1.209 310 HG2 GLN 39 2HG GLN 39 -3.613 -5.592 -3.104 311 HG3 GLN 39 1HG GLN 39 -3.546 -4.197 -4.186 312 HE21 GLN 39 1HE2 GLN 39 -1.581 -4.449 -1.364 313 HE22 GLN 39 2HE2 GLN 39 -0.083 -4.671 -2.172 314 H LYS 40 HN LYS 40 -5.891 -4.476 0.377 315 HA LYS 40 HA LYS 40 -6.436 -1.839 1.437 316 HB2 LYS 40 2HB LYS 40 -7.164 -3.092 3.485 317 HB3 LYS 40 1HB LYS 40 -8.039 -3.529 2.026 318 HG2 LYS 40 2HG LYS 40 -6.806 -5.571 1.824 319 HG3 LYS 40 1HG LYS 40 -5.731 -5.103 3.140 320 HD2 LYS 40 2HD LYS 40 -7.440 -6.736 3.852 321 HD3 LYS 40 1HD LYS 40 -7.548 -5.213 4.732 322 HE2 LYS 40 2HE LYS 40 -9.381 -4.516 3.215 323 HE3 LYS 40 1HE LYS 40 -9.300 -6.097 2.438 324 HZ1 LYS 40 3HZ LYS 40 -9.917 -5.634 5.313 325 HZ2 LYS 40 1HZ LYS 40 -9.891 -7.139 4.530 326 HZ3 LYS 40 2HZ LYS 40 -11.062 -5.977 4.113 327 H VAL 41 HN VAL 41 -4.867 -0.661 2.240 328 HA VAL 41 HA VAL 41 -2.639 -2.029 3.601 329 HB VAL 41 HB VAL 41 -1.193 -0.138 3.007 330 HG11 VAL 41 1HG1 VAL 41 -1.203 -2.081 1.555 331 HG12 VAL 41 2HG1 VAL 41 -0.997 -0.612 0.599 332 HG13 VAL 41 3HG1 VAL 41 -2.566 -1.420 0.644 333 HG21 VAL 41 3HG2 VAL 41 -1.937 1.510 1.334 334 HG22 VAL 41 1HG2 VAL 41 -2.864 1.619 2.834 335 HG23 VAL 41 2HG2 VAL 41 -3.566 0.838 1.418 336 H ARG 42 HN ARG 42 -1.518 -0.560 5.200 337 HA ARG 42 HA ARG 42 -3.609 0.660 6.837 338 HE ARG 42 HE ARG 42 -1.103 -2.957 7.208 339 HB2 ARG 42 2HB ARG 42 -2.063 0.308 8.733 340 HB3 ARG 42 1HB ARG 42 -2.461 -1.185 7.902 341 HG2 ARG 42 2HG ARG 42 -0.256 -0.794 6.619 342 HG3 ARG 42 1HG ARG 42 0.120 0.323 7.931 343 HD2 ARG 42 2HD ARG 42 1.051 -1.834 8.451 344 HD3 ARG 42 1HD ARG 42 -0.295 -1.518 9.546 345 HH11 ARG 42 1HH1 ARG 42 0.435 -3.366 10.338 346 HH12 ARG 42 2HH1 ARG 42 -0.111 -5.009 10.520 347 HH21 ARG 42 1HH2 ARG 42 -1.789 -5.115 7.445 348 HH22 ARG 42 2HH2 ARG 42 -1.378 -6.005 8.876 349 H VAL 43 HN VAL 43 -3.715 2.756 6.984 350 HA VAL 43 HA VAL 43 -1.331 4.369 6.365 351 HB VAL 43 HB VAL 43 -2.861 6.200 5.794 352 HG11 VAL 43 1HG1 VAL 43 -3.792 5.269 3.730 353 HG12 VAL 43 2HG1 VAL 43 -3.520 3.638 4.346 354 HG13 VAL 43 3HG1 VAL 43 -2.148 4.697 4.014 355 HG21 VAL 43 3HG2 VAL 43 -5.041 4.198 6.345 356 HG22 VAL 43 1HG2 VAL 43 -5.277 5.776 5.590 357 HG23 VAL 43 2HG2 VAL 43 -4.708 5.671 7.258 358 H VAL 44 HN VAL 44 -1.379 6.562 7.505 359 HA VAL 44 HA VAL 44 -1.961 6.015 10.330 360 HB VAL 44 HB VAL 44 0.388 6.505 9.814 361 HG11 VAL 44 1HG1 VAL 44 1.077 8.765 9.135 362 HG12 VAL 44 2HG1 VAL 44 -0.616 9.201 8.916 363 HG13 VAL 44 3HG1 VAL 44 0.109 7.960 7.898 364 HG21 VAL 44 3HG2 VAL 44 -0.452 7.053 12.019 365 HG22 VAL 44 1HG2 VAL 44 -0.986 8.638 11.448 366 HG23 VAL 44 2HG2 VAL 44 0.738 8.257 11.514 367 H LEU 45 HN LEU 45 -3.416 7.119 11.416 368 HA LEU 45 HA LEU 45 -4.762 9.371 10.140 369 HG LEU 45 HG LEU 45 -6.022 6.615 10.486 370 HB2 LEU 45 2HB LEU 45 -5.372 7.703 12.573 371 HB3 LEU 45 1HB LEU 45 -6.299 9.120 12.142 372 HD11 LEU 45 1HD1 LEU 45 -8.339 7.741 12.049 373 HD12 LEU 45 2HD1 LEU 45 -7.412 6.296 12.451 374 HD13 LEU 45 3HD1 LEU 45 -8.402 6.331 10.995 375 HD21 LEU 45 3HD2 LEU 45 -7.696 7.623 9.032 376 HD22 LEU 45 1HD2 LEU 45 -6.238 8.613 9.093 377 HD23 LEU 45 2HD2 LEU 45 -7.668 9.095 10.004 378 HA PRO 46 HA PRO 46 -2.623 12.422 12.602 379 HB2 PRO 46 2HB PRO 46 -5.242 13.808 12.707 380 HB3 PRO 46 1HB PRO 46 -3.681 14.396 12.126 381 HG2 PRO 46 2HG PRO 46 -5.628 13.775 10.412 382 HG3 PRO 46 1HG PRO 46 -3.932 13.406 10.045 383 HD2 PRO 46 2HD PRO 46 -6.111 11.583 10.992 384 HD3 PRO 46 1HD PRO 46 -4.837 11.285 9.788 385 H ASP 47 HN ASP 47 -5.613 10.943 13.519 386 HA ASP 47 HA ASP 47 -5.825 11.704 16.203 387 HB2 ASP 47 2HB ASP 47 -6.523 9.069 14.877 388 HB3 ASP 47 1HB ASP 47 -7.045 9.544 16.487 389 H GLY 48 HN GLY 48 -3.620 9.585 14.583 390 HA2 GLY 48 2HA GLY 48 -1.585 8.862 15.613 391 HA3 GLY 48 1HA GLY 48 -2.414 8.846 17.166 392 H THR 49 HN THR 49 -4.468 7.613 14.901 393 HA THR 49 HA THR 49 -3.857 4.878 15.727 394 HB THR 49 HB THR 49 -6.358 5.717 14.282 395 HG1 THR 49 1HG THR 49 -5.579 6.290 16.909 396 HG21 THR 49 3HG2 THR 49 -5.779 3.561 16.319 397 HG22 THR 49 1HG2 THR 49 -5.950 3.320 14.581 398 HG23 THR 49 2HG2 THR 49 -7.336 3.851 15.539 399 H ILE 50 HN ILE 50 -4.022 3.176 14.139 400 HA ILE 50 HA ILE 50 -3.200 4.050 11.459 401 HB ILE 50 HB ILE 50 -2.798 1.361 12.789 402 HG12 ILE 50 2HG1 ILE 50 -0.820 3.555 12.110 403 HG13 ILE 50 1HG1 ILE 50 -1.367 3.133 13.729 404 HG21 ILE 50 1HG2 ILE 50 -3.102 1.183 10.364 405 HG22 ILE 50 2HG2 ILE 50 -1.450 0.793 10.844 406 HG23 ILE 50 3HG2 ILE 50 -1.813 2.362 10.119 407 HD11 ILE 50 3HD1 ILE 50 0.835 2.231 13.275 408 HD12 ILE 50 1HD1 ILE 50 0.205 1.359 11.878 409 HD13 ILE 50 2HD1 ILE 50 -0.339 0.932 13.500 410 H LYS 51 HN LYS 51 -4.676 3.939 9.946 411 HA LYS 51 HA LYS 51 -7.033 2.224 10.375 412 HB2 LYS 51 2HB LYS 51 -7.429 4.672 10.253 413 HB3 LYS 51 1HB LYS 51 -6.739 4.686 8.637 414 HG2 LYS 51 2HG LYS 51 -8.549 3.187 7.884 415 HG3 LYS 51 1HG LYS 51 -9.253 3.266 9.502 416 HD2 LYS 51 2HD LYS 51 -9.514 5.681 9.280 417 HD3 LYS 51 1HD LYS 51 -8.782 5.622 7.675 418 HE2 LYS 51 2HE LYS 51 -11.186 5.750 7.482 419 HE3 LYS 51 1HE LYS 51 -10.621 4.181 6.913 420 HZ1 LYS 51 3HZ LYS 51 -11.649 4.618 9.664 421 HZ2 LYS 51 1HZ LYS 51 -11.389 3.142 8.874 422 HZ3 LYS 51 2HZ LYS 51 -12.646 4.163 8.370 423 H ARG 52 HN ARG 52 -7.782 0.912 8.705 424 HA ARG 52 HA ARG 52 -5.831 0.519 6.531 425 HE ARG 52 HE ARG 52 -4.156 -2.683 9.982 426 HB2 ARG 52 2HB ARG 52 -7.741 -1.472 7.761 427 HB3 ARG 52 1HB ARG 52 -6.649 -1.803 6.421 428 HG2 ARG 52 2HG ARG 52 -4.735 -1.355 7.862 429 HG3 ARG 52 1HG ARG 52 -5.822 -1.007 9.208 430 HD2 ARG 52 2HD ARG 52 -6.720 -3.298 8.998 431 HD3 ARG 52 1HD ARG 52 -5.521 -3.624 7.752 432 HH11 ARG 52 1HH1 ARG 52 -6.176 -5.430 9.159 433 HH12 ARG 52 2HH1 ARG 52 -5.325 -6.522 10.221 434 HH21 ARG 52 1HH2 ARG 52 -3.061 -4.105 11.384 435 HH22 ARG 52 2HH2 ARG 52 -3.572 -5.768 11.493 436 H MET 53 HN MET 53 -6.457 0.864 4.542 437 HA MET 53 HA MET 53 -9.306 0.818 3.876 438 HB2 MET 53 2HB MET 53 -7.476 3.171 3.380 439 HB3 MET 53 1HB MET 53 -9.026 2.958 2.579 440 HG2 MET 53 2HG MET 53 -10.139 2.986 4.770 441 HG3 MET 53 1HG MET 53 -8.580 3.265 5.540 442 HE1 MET 53 3HE MET 53 -7.133 5.462 5.187 443 HE2 MET 53 1HE MET 53 -7.619 6.804 4.151 444 HE3 MET 53 2HE MET 53 -7.192 5.249 3.440 445 H ARG 54 HN ARG 54 -9.673 0.952 1.517 446 HA ARG 54 HA ARG 54 -7.802 -0.823 0.195 447 HE ARG 54 HE ARG 54 -12.102 -0.021 0.891 448 HB2 ARG 54 2HB ARG 54 -10.493 0.294 -0.594 449 HB3 ARG 54 1HB ARG 54 -9.554 -0.788 -1.615 450 HG2 ARG 54 2HG ARG 54 -9.845 -2.590 -0.204 451 HG3 ARG 54 1HG ARG 54 -10.203 -1.569 1.191 452 HD2 ARG 54 2HD ARG 54 -11.988 -1.822 -1.222 453 HD3 ARG 54 1HD ARG 54 -12.180 -2.780 0.245 454 HH11 ARG 54 1HH1 ARG 54 -14.185 -2.447 -0.566 455 HH12 ARG 54 2HH1 ARG 54 -15.653 -1.622 -0.131 456 HH21 ARG 54 1HH2 ARG 54 -14.026 1.076 1.450 457 HH22 ARG 54 2HH2 ARG 54 -15.570 0.384 1.009 458 H VAL 55 HN VAL 55 -6.211 -0.170 -1.048 459 HA VAL 55 HA VAL 55 -6.426 2.467 -2.353 460 HB VAL 55 HB VAL 55 -3.906 1.215 -1.232 461 HG11 VAL 55 1HG1 VAL 55 -4.356 3.913 -2.493 462 HG12 VAL 55 2HG1 VAL 55 -3.492 2.557 -3.223 463 HG13 VAL 55 3HG1 VAL 55 -2.846 3.341 -1.779 464 HG21 VAL 55 3HG2 VAL 55 -5.382 2.009 0.538 465 HG22 VAL 55 1HG2 VAL 55 -5.500 3.581 -0.253 466 HG23 VAL 55 2HG2 VAL 55 -3.954 3.034 0.399 467 H CYS 56 HN CYS 56 -5.544 2.620 -4.437 468 HA CYS 56 HA CYS 56 -5.409 0.081 -5.830 469 HG CYS 56 HG CYS 56 -6.423 4.318 -7.247 470 HB2 CYS 56 2HB CYS 56 -5.426 1.492 -7.869 471 HB3 CYS 56 1HB CYS 56 -6.796 1.801 -6.808 472 H THR 57 HN THR 57 -3.700 -0.409 -7.314 473 HA THR 57 HA THR 57 -1.157 -0.266 -6.219 474 HB THR 57 HB THR 57 -0.506 -0.966 -8.642 475 HG1 THR 57 1HG THR 57 -2.721 -1.892 -9.477 476 HG21 THR 57 3HG2 THR 57 -2.466 -2.601 -7.022 477 HG22 THR 57 1HG2 THR 57 -0.723 -2.526 -6.758 478 HG23 THR 57 2HG2 THR 57 -1.360 -3.230 -8.244 479 H SER 58 HN SER 58 -2.731 1.824 -8.562 480 HA SER 58 HA SER 58 -0.425 3.165 -9.478 481 HG SER 58 HG SER 58 -2.127 2.218 -10.802 482 HB2 SER 58 2HB SER 58 -3.273 4.188 -9.339 483 HB3 SER 58 1HB SER 58 -1.984 4.823 -10.367 484 H CYS 59 HN CYS 59 -2.709 3.905 -6.851 485 HA CYS 59 HA CYS 59 -1.342 6.258 -6.017 486 HG CYS 59 HG CYS 59 -3.675 7.634 -6.010 487 HB2 CYS 59 2HB CYS 59 -3.386 4.495 -4.675 488 HB3 CYS 59 1HB CYS 59 -2.743 5.945 -3.930 489 H LEU 60 HN LEU 60 -1.234 2.862 -5.120 490 HA LEU 60 HA LEU 60 0.445 3.020 -2.894 491 HG LEU 60 HG LEU 60 -1.832 1.184 -3.498 492 HB2 LEU 60 2HB LEU 60 0.098 0.901 -5.005 493 HB3 LEU 60 1HB LEU 60 1.141 0.674 -3.620 494 HD11 LEU 60 1HD1 LEU 60 -1.332 -1.017 -4.405 495 HD12 LEU 60 2HD1 LEU 60 -1.976 -1.151 -2.769 496 HD13 LEU 60 3HD1 LEU 60 -0.247 -1.344 -3.053 497 HD21 LEU 60 3HD2 LEU 60 0.156 0.516 -1.329 498 HD22 LEU 60 1HD2 LEU 60 -1.591 0.634 -1.124 499 HD23 LEU 60 2HD2 LEU 60 -0.656 2.065 -1.556 500 H LYS 61 HN LYS 61 1.234 2.669 -6.329 501 HA LYS 61 HA LYS 61 4.032 2.629 -6.059 502 HB2 LYS 61 2HB LYS 61 2.836 1.960 -8.109 503 HB3 LYS 61 1HB LYS 61 2.360 3.631 -8.374 504 HG2 LYS 61 2HG LYS 61 4.887 4.128 -8.375 505 HG3 LYS 61 1HG LYS 61 5.070 2.388 -8.610 506 HD2 LYS 61 2HD LYS 61 5.074 3.506 -10.757 507 HD3 LYS 61 1HD LYS 61 3.611 2.533 -10.594 508 HE2 LYS 61 2HE LYS 61 2.320 4.505 -10.037 509 HE3 LYS 61 1HE LYS 61 3.774 5.499 -10.060 510 HZ1 LYS 61 3HZ LYS 61 2.584 4.085 -12.389 511 HZ2 LYS 61 1HZ LYS 61 4.019 4.991 -12.423 512 HZ3 LYS 61 2HZ LYS 61 2.536 5.752 -12.102 513 H SER 62 HN SER 62 1.750 5.292 -6.472 514 HA SER 62 HA SER 62 3.731 7.296 -6.846 515 HG SER 62 HG SER 62 0.887 6.644 -7.980 516 HB2 SER 62 2HB SER 62 0.846 7.574 -5.969 517 HB3 SER 62 1HB SER 62 1.877 8.883 -6.551 518 H GLY 63 HN GLY 63 2.222 5.868 -4.042 519 HA2 GLY 63 2HA GLY 63 2.697 6.087 -1.803 520 HA3 GLY 63 1HA GLY 63 4.148 6.964 -2.270 521 H LYS 64 HN LYS 64 0.979 7.989 -3.275 522 HA LYS 64 HA LYS 64 1.371 10.546 -1.981 523 HB2 LYS 64 2HB LYS 64 0.438 10.179 -4.333 524 HB3 LYS 64 1HB LYS 64 -1.041 9.630 -3.561 525 HG2 LYS 64 2HG LYS 64 0.078 12.302 -2.851 526 HG3 LYS 64 1HG LYS 64 -0.791 12.096 -4.372 527 HD2 LYS 64 2HD LYS 64 -2.735 11.264 -3.153 528 HD3 LYS 64 1HD LYS 64 -1.864 11.441 -1.629 529 HE2 LYS 64 2HE LYS 64 -3.365 13.321 -1.980 530 HE3 LYS 64 1HE LYS 64 -1.685 13.852 -2.014 531 HZ1 LYS 64 3HZ LYS 64 -3.435 13.390 -4.367 532 HZ2 LYS 64 1HZ LYS 64 -1.792 13.809 -4.454 533 HZ3 LYS 64 2HZ LYS 64 -2.909 14.892 -3.781 534 H VAL 65 HN VAL 65 -0.238 7.603 -1.364 535 HA VAL 65 HA VAL 65 -2.405 8.453 0.193 536 HB VAL 65 HB VAL 65 -2.412 6.181 1.137 537 HG11 VAL 65 1HG1 VAL 65 -1.890 6.299 -1.831 538 HG12 VAL 65 2HG1 VAL 65 -3.436 6.561 -1.026 539 HG13 VAL 65 3HG1 VAL 65 -2.682 4.969 -0.985 540 HG21 VAL 65 3HG2 VAL 65 -0.010 5.852 1.383 541 HG22 VAL 65 1HG2 VAL 65 0.181 5.839 -0.369 542 HG23 VAL 65 2HG2 VAL 65 -0.718 4.550 0.428 543 H LYS 66 HN LYS 66 -2.625 8.056 2.548 544 HA LYS 66 HA LYS 66 -0.622 9.592 3.920 545 HB2 LYS 66 2HB LYS 66 -3.062 8.265 5.108 546 HB3 LYS 66 1HB LYS 66 -2.166 9.628 5.760 547 HG2 LYS 66 2HG LYS 66 -3.787 9.648 3.219 548 HG3 LYS 66 1HG LYS 66 -4.287 10.322 4.770 549 HD2 LYS 66 2HD LYS 66 -2.515 11.947 4.690 550 HD3 LYS 66 1HD LYS 66 -1.849 11.208 3.234 551 HE2 LYS 66 2HE LYS 66 -3.116 13.211 2.679 552 HE3 LYS 66 1HE LYS 66 -3.883 11.774 2.007 553 HZ1 LYS 66 3HZ LYS 66 -5.455 11.805 3.866 554 HZ2 LYS 66 1HZ LYS 66 -5.518 13.249 2.975 555 HZ3 LYS 66 2HZ LYS 66 -4.725 13.216 4.470 556 H LYS 67 HN LYS 67 0.856 7.650 3.281 557 HA LYS 67 HA LYS 67 0.773 5.217 4.631 558 HB2 LYS 67 2HB LYS 67 3.306 5.227 4.195 559 HB3 LYS 67 1HB LYS 67 2.238 5.328 2.802 560 HG2 LYS 67 2HG LYS 67 2.575 7.773 2.760 561 HG3 LYS 67 1HG LYS 67 3.704 7.617 4.104 562 HD2 LYS 67 2HD LYS 67 5.203 6.301 2.756 563 HD3 LYS 67 1HD LYS 67 4.034 6.245 1.435 564 HE2 LYS 67 2HE LYS 67 4.213 8.660 1.159 565 HE3 LYS 67 1HE LYS 67 5.347 8.744 2.503 566 HZ1 LYS 67 3HZ LYS 67 6.945 7.519 1.265 567 HZ2 LYS 67 1HZ LYS 67 6.396 8.781 0.277 568 HZ3 LYS 67 2HZ LYS 67 5.843 7.200 0.016 569 H TYR 68 HN TYR 68 1.636 4.448 6.500 570 HA TYR 68 HA TYR 68 1.766 6.340 8.655 571 HD1 TYR 68 2HD TYR 68 1.730 2.866 6.692 572 HD2 TYR 68 1HD TYR 68 3.139 2.664 10.701 573 HE1 TYR 68 2HE TYR 68 2.858 0.742 6.183 574 HE2 TYR 68 1HE TYR 68 4.266 0.539 10.202 575 HH TYR 68 HH TYR 68 4.833 -0.573 7.113 576 HB2 TYR 68 2HB TYR 68 1.777 4.416 10.105 577 HB3 TYR 68 1HB TYR 68 0.619 4.125 8.814 578 H VAL 69 HN VAL 69 3.990 5.986 6.559 579 HA VAL 69 HA VAL 69 6.216 5.736 6.332 580 HB VAL 69 HB VAL 69 6.095 8.001 7.177 581 HG11 VAL 69 1HG1 VAL 69 6.538 6.882 9.938 582 HG12 VAL 69 2HG1 VAL 69 5.050 7.621 9.349 583 HG13 VAL 69 3HG1 VAL 69 6.518 8.588 9.493 584 HG21 VAL 69 3HG2 VAL 69 8.467 6.484 8.243 585 HG22 VAL 69 1HG2 VAL 69 8.405 8.230 7.988 586 HG23 VAL 69 2HG2 VAL 69 8.268 7.132 6.614 587 H GLY 70 HN GLY 70 6.402 3.533 6.519 588 HA2 GLY 70 2HA GLY 70 8.126 2.608 8.588 589 HA3 GLY 70 1HA GLY 70 6.490 2.019 8.834 590 H GLN 71 HN GLN 71 8.519 2.485 5.955 591 HA GLN 71 HA GLN 71 9.173 1.113 4.285 592 HB2 GLN 71 2HB GLN 71 8.930 -1.084 6.344 593 HB3 GLN 71 1HB GLN 71 9.886 -1.130 4.868 594 HG2 GLN 71 2HG GLN 71 11.293 0.678 5.723 595 HG3 GLN 71 1HG GLN 71 10.325 0.733 7.192 596 HE21 GLN 71 1HE2 GLN 71 12.732 -0.994 5.410 597 HE22 GLN 71 2HE2 GLN 71 13.207 -2.059 6.692 598 H VAL 72 HN VAL 72 7.375 1.388 2.982 599 HA VAL 72 HA VAL 72 5.785 -0.999 2.583 600 HB VAL 72 HB VAL 72 4.532 0.360 4.284 601 HG11 VAL 72 1HG1 VAL 72 5.117 2.582 3.520 602 HG12 VAL 72 2HG1 VAL 72 3.363 2.386 3.555 603 HG13 VAL 72 3HG1 VAL 72 4.228 2.324 2.017 604 HG21 VAL 72 3HG2 VAL 72 2.347 0.187 3.169 605 HG22 VAL 72 1HG2 VAL 72 3.354 -1.241 2.916 606 HG23 VAL 72 2HG2 VAL 72 3.171 -0.050 1.627 607 H SER 73 HN SER 73 7.685 1.203 1.313 608 HA SER 73 HA SER 73 6.048 1.915 -0.998 609 HG SER 73 HG SER 73 6.753 4.693 -0.335 610 HB2 SER 73 2HB SER 73 8.779 2.888 -0.130 611 HB3 SER 73 1HB SER 73 7.915 3.452 -1.561 612 H GLU 74 HN GLU 74 6.001 0.395 -2.479 613 HA GLU 74 HA GLU 74 6.635 -0.860 -4.246 614 HB2 GLU 74 2HB GLU 74 9.350 0.361 -3.763 615 HB3 GLU 74 1HB GLU 74 8.933 -0.620 -5.160 616 HG2 GLU 74 2HG GLU 74 7.210 1.035 -5.763 617 HG3 GLU 74 1HG GLU 74 7.729 2.029 -4.401 618 H VAL 75 HN VAL 75 6.242 -2.850 -3.356 619 HA VAL 75 HA VAL 75 8.680 -4.381 -2.779 620 HB VAL 75 HB VAL 75 6.054 -4.817 -1.332 621 HG11 VAL 75 1HG1 VAL 75 7.353 -6.428 0.006 622 HG12 VAL 75 2HG1 VAL 75 8.739 -6.163 -1.049 623 HG13 VAL 75 3HG1 VAL 75 7.265 -6.885 -1.694 624 HG21 VAL 75 3HG2 VAL 75 7.146 -2.809 -0.510 625 HG22 VAL 75 1HG2 VAL 75 8.658 -3.694 -0.304 626 HG23 VAL 75 2HG2 VAL 75 7.255 -4.103 0.685 627 H GLY 76 HN GLY 76 8.733 -5.238 -4.844 628 HA2 GLY 76 2HA GLY 76 6.352 -6.773 -5.685 629 HA3 GLY 76 1HA GLY 76 7.555 -6.113 -6.786 630 H SER 77 HN SER 77 9.482 -7.196 -7.110 631 HA SER 77 HA SER 77 9.461 -9.994 -6.296 632 HG SER 77 HG SER 77 9.326 -8.494 -9.158 633 HB2 SER 77 2HB SER 77 11.295 -8.555 -8.231 634 HB3 SER 77 1HB SER 77 11.169 -10.302 -8.015 Start of MODEL 20 1 HA GLN 1 HA GLN 1 -23.163 7.571 -12.182 2 H1 GLN 1 1HT GLN 1 -21.987 5.689 -13.086 3 H2 GLN 1 2HT GLN 1 -21.154 7.125 -13.440 4 H3 GLN 1 3HT GLN 1 -22.062 6.348 -14.646 5 HB2 GLN 1 2HB GLN 1 -22.235 9.050 -14.124 6 HB3 GLN 1 1HB GLN 1 -23.651 8.499 -15.006 7 HG2 GLN 1 2HG GLN 1 -25.028 9.344 -13.063 8 HG3 GLN 1 1HG GLN 1 -23.557 10.127 -12.485 9 HE21 GLN 1 1HE2 GLN 1 -22.638 11.808 -13.742 10 HE22 GLN 1 2HE2 GLN 1 -23.597 12.679 -14.898 11 H GLY 2 HN GLY 2 -23.436 4.853 -13.649 12 HA2 GLY 2 2HA GLY 2 -26.357 5.011 -14.048 13 HA3 GLY 2 1HA GLY 2 -25.331 4.108 -15.151 14 H HIS 3 HN HIS 3 -26.172 2.105 -14.809 15 HA HIS 3 HA HIS 3 -26.357 1.110 -12.063 16 HD1 HIS 3 1HD HIS 3 -29.142 1.058 -15.577 17 HD2 HIS 3 2HD HIS 3 -29.119 1.042 -11.415 18 HE1 HIS 3 1HE HIS 3 -31.239 2.261 -14.877 19 HE2 HIS 3 2HE HIS 3 -31.321 2.011 -12.375 20 HB2 HIS 3 2HB HIS 3 -27.207 -0.164 -14.675 21 HB3 HIS 3 1HB HIS 3 -27.468 -0.854 -13.077 22 H MET 4 HN MET 4 -24.212 0.824 -11.503 23 HA MET 4 HA MET 4 -22.858 -1.366 -12.939 24 HB2 MET 4 2HB MET 4 -21.653 1.175 -11.861 25 HB3 MET 4 1HB MET 4 -20.687 -0.239 -12.255 26 HG2 MET 4 2HG MET 4 -22.425 1.297 -14.175 27 HG3 MET 4 1HG MET 4 -20.672 1.402 -14.054 28 HE1 MET 4 3HE MET 4 -20.501 0.893 -16.687 29 HE2 MET 4 1HE MET 4 -22.262 0.793 -16.760 30 HE3 MET 4 2HE MET 4 -21.274 -0.494 -17.452 31 H ILE 5 HN ILE 5 -23.804 0.068 -9.958 32 HA ILE 5 HA ILE 5 -23.817 -0.657 -7.813 33 HB ILE 5 HB ILE 5 -22.758 -3.259 -8.931 34 HG12 ILE 5 2HG1 ILE 5 -25.568 -2.456 -8.126 35 HG13 ILE 5 1HG1 ILE 5 -24.993 -2.579 -9.787 36 HG21 ILE 5 1HG2 ILE 5 -22.247 -3.018 -6.559 37 HG22 ILE 5 2HG2 ILE 5 -23.489 -4.243 -6.815 38 HG23 ILE 5 3HG2 ILE 5 -23.938 -2.644 -6.219 39 HD11 ILE 5 3HD1 ILE 5 -25.156 -4.847 -7.810 40 HD12 ILE 5 1HD1 ILE 5 -24.611 -4.964 -9.483 41 HD13 ILE 5 2HD1 ILE 5 -26.285 -4.534 -9.129 42 H MET 6 HN MET 6 -20.890 -1.984 -9.353 43 HA MET 6 HA MET 6 -19.322 -1.168 -7.029 44 HB2 MET 6 2HB MET 6 -17.576 -2.586 -7.915 45 HB3 MET 6 1HB MET 6 -19.088 -3.478 -7.908 46 HG2 MET 6 2HG MET 6 -18.312 -4.058 -9.955 47 HG3 MET 6 1HG MET 6 -19.219 -2.610 -10.388 48 HE1 MET 6 3HE MET 6 -16.186 -2.375 -12.818 49 HE2 MET 6 1HE MET 6 -17.942 -2.334 -12.661 50 HE3 MET 6 2HE MET 6 -17.064 -3.823 -12.321 51 H ALA 7 HN ALA 7 -17.129 -0.254 -7.521 52 HA ALA 7 HA ALA 7 -17.074 1.421 -9.925 53 HB1 ALA 7 1HB ALA 7 -18.060 2.816 -8.188 54 HB2 ALA 7 2HB ALA 7 -16.460 3.405 -8.633 55 HB3 ALA 7 3HB ALA 7 -16.684 2.501 -7.136 56 H LYS 8 HN LYS 8 -15.422 0.078 -7.134 57 HA LYS 8 HA LYS 8 -13.270 -0.406 -6.664 58 HB2 LYS 8 2HB LYS 8 -13.151 -0.598 -9.671 59 HB3 LYS 8 1HB LYS 8 -11.788 -0.996 -8.636 60 HG2 LYS 8 2HG LYS 8 -13.180 -2.700 -7.514 61 HG3 LYS 8 1HG LYS 8 -14.481 -2.341 -8.651 62 HD2 LYS 8 2HD LYS 8 -13.133 -3.049 -10.506 63 HD3 LYS 8 1HD LYS 8 -11.720 -3.238 -9.465 64 HE2 LYS 8 2HE LYS 8 -12.661 -5.406 -9.914 65 HE3 LYS 8 1HE LYS 8 -12.924 -5.004 -8.221 66 HZ1 LYS 8 3HZ LYS 8 -14.967 -4.620 -10.334 67 HZ2 LYS 8 1HZ LYS 8 -15.191 -4.506 -8.655 68 HZ3 LYS 8 2HZ LYS 8 -14.861 -6.009 -9.378 69 H ARG 9 HN ARG 9 -12.881 1.602 -5.728 70 HA ARG 9 HA ARG 9 -10.917 3.203 -7.184 71 HE ARG 9 HE ARG 9 -14.648 6.008 -6.967 72 HB2 ARG 9 2HB ARG 9 -11.892 5.271 -6.293 73 HB3 ARG 9 1HB ARG 9 -13.034 4.433 -7.332 74 HG2 ARG 9 2HG ARG 9 -14.395 3.825 -5.574 75 HG3 ARG 9 1HG ARG 9 -13.108 3.988 -4.380 76 HD2 ARG 9 2HD ARG 9 -14.699 5.780 -4.121 77 HD3 ARG 9 1HD ARG 9 -13.163 6.427 -4.688 78 HH11 ARG 9 1HH1 ARG 9 -15.047 7.819 -3.995 79 HH12 ARG 9 2HH1 ARG 9 -16.013 9.065 -4.729 80 HH21 ARG 9 1HH2 ARG 9 -15.906 7.666 -7.948 81 HH22 ARG 9 2HH2 ARG 9 -16.485 8.988 -6.978 82 H CYS 10 HN CYS 10 -9.614 4.531 -5.707 83 HA CYS 10 HA CYS 10 -9.088 3.219 -3.190 84 HG CYS 10 HG CYS 10 -7.056 4.076 -1.567 85 HB2 CYS 10 2HB CYS 10 -7.216 4.083 -4.513 86 HB3 CYS 10 1HB CYS 10 -7.892 5.706 -4.440 87 H GLU 11 HN GLU 11 -9.431 4.096 -1.150 88 HA GLU 11 HA GLU 11 -11.767 5.740 -0.942 89 HB2 GLU 11 2HB GLU 11 -9.929 4.553 1.131 90 HB3 GLU 11 1HB GLU 11 -11.374 5.469 1.529 91 HG2 GLU 11 2HG GLU 11 -12.725 3.841 0.276 92 HG3 GLU 11 1HG GLU 11 -11.265 2.902 -0.034 93 H VAL 12 HN VAL 12 -8.636 6.590 -1.448 94 HA VAL 12 HA VAL 12 -8.836 9.046 0.153 95 HB VAL 12 HB VAL 12 -6.402 7.909 -1.243 96 HG11 VAL 12 1HG1 VAL 12 -6.281 10.321 -1.035 97 HG12 VAL 12 2HG1 VAL 12 -5.155 9.561 0.092 98 HG13 VAL 12 3HG1 VAL 12 -6.683 10.217 0.679 99 HG21 VAL 12 3HG2 VAL 12 -5.613 7.347 1.022 100 HG22 VAL 12 1HG2 VAL 12 -7.084 6.476 0.591 101 HG23 VAL 12 2HG2 VAL 12 -7.167 7.863 1.674 102 H CYS 13 HN CYS 13 -7.455 8.146 -3.016 103 HA CYS 13 HA CYS 13 -7.913 10.837 -3.977 104 HG CYS 13 HG CYS 13 -5.208 7.390 -5.087 105 HB2 CYS 13 2HB CYS 13 -6.744 9.978 -6.025 106 HB3 CYS 13 1HB CYS 13 -5.809 9.823 -4.539 107 H GLY 14 HN GLY 14 -9.156 7.594 -4.607 108 HA2 GLY 14 2HA GLY 14 -11.329 7.182 -5.469 109 HA3 GLY 14 1HA GLY 14 -11.321 8.790 -6.182 110 H LYS 15 HN LYS 15 -8.383 7.260 -6.697 111 HA LYS 15 HA LYS 15 -8.984 6.790 -9.483 112 HB2 LYS 15 2HB LYS 15 -6.450 6.452 -7.871 113 HB3 LYS 15 1HB LYS 15 -6.558 6.143 -9.598 114 HG2 LYS 15 2HG LYS 15 -7.213 8.795 -8.346 115 HG3 LYS 15 1HG LYS 15 -5.615 8.368 -8.955 116 HD2 LYS 15 2HD LYS 15 -6.607 7.960 -11.183 117 HD3 LYS 15 1HD LYS 15 -8.175 8.472 -10.554 118 HE2 LYS 15 2HE LYS 15 -7.306 10.682 -10.092 119 HE3 LYS 15 1HE LYS 15 -5.692 10.182 -10.590 120 HZ1 LYS 15 3HZ LYS 15 -6.815 11.422 -12.332 121 HZ2 LYS 15 1HZ LYS 15 -8.085 10.296 -12.354 122 HZ3 LYS 15 2HZ LYS 15 -6.523 9.830 -12.830 123 H ALA 16 HN ALA 16 -8.425 4.748 -10.547 124 HA ALA 16 HA ALA 16 -9.578 2.546 -9.040 125 HB1 ALA 16 1HB ALA 16 -9.703 1.418 -11.199 126 HB2 ALA 16 2HB ALA 16 -8.796 2.732 -11.949 127 HB3 ALA 16 3HB ALA 16 -10.403 3.033 -11.287 128 HA PRO 17 HA PRO 17 -5.700 0.466 -8.393 129 HB2 PRO 17 2HB PRO 17 -6.562 -2.070 -8.073 130 HB3 PRO 17 1HB PRO 17 -6.848 -0.814 -6.862 131 HG2 PRO 17 2HG PRO 17 -8.707 -1.903 -8.940 132 HG3 PRO 17 1HG PRO 17 -9.034 -1.486 -7.247 133 HD2 PRO 17 2HD PRO 17 -9.663 0.136 -9.357 134 HD3 PRO 17 1HD PRO 17 -9.325 0.736 -7.722 135 H ARG 18 HN ARG 18 -4.388 0.395 -10.126 136 HA ARG 18 HA ARG 18 -5.130 -1.154 -12.473 137 HE ARG 18 HE ARG 18 -2.695 1.322 -14.951 138 HB2 ARG 18 2HB ARG 18 -2.703 0.585 -11.978 139 HB3 ARG 18 1HB ARG 18 -3.158 -0.134 -13.517 140 HG2 ARG 18 2HG ARG 18 -5.149 1.220 -13.617 141 HG3 ARG 18 1HG ARG 18 -4.834 1.861 -12.005 142 HD2 ARG 18 2HD ARG 18 -4.167 3.488 -13.641 143 HD3 ARG 18 1HD ARG 18 -2.731 2.844 -12.853 144 HH11 ARG 18 1HH1 ARG 18 -3.618 4.699 -14.819 145 HH12 ARG 18 2HH1 ARG 18 -3.156 5.019 -16.469 146 HH21 ARG 18 1HH2 ARG 18 -2.075 1.740 -17.110 147 HH22 ARG 18 2HH2 ARG 18 -2.272 3.338 -17.766 148 H SER 19 HN SER 19 -4.981 -3.236 -11.660 149 HA SER 19 HA SER 19 -4.014 -5.259 -11.372 150 HG SER 19 HG SER 19 -2.818 -3.744 -13.950 151 HB2 SER 19 2HB SER 19 -1.478 -3.863 -12.243 152 HB3 SER 19 1HB SER 19 -1.708 -5.610 -12.153 153 H GLY 20 HN GLY 20 -4.155 -5.763 -9.277 154 HA2 GLY 20 2HA GLY 20 -2.323 -4.545 -7.360 155 HA3 GLY 20 1HA GLY 20 -3.684 -5.596 -6.980 156 H ASN 21 HN ASN 21 -1.534 -6.200 -5.615 157 HA ASN 21 HA ASN 21 -0.250 -8.414 -7.075 158 HB2 ASN 21 2HB ASN 21 1.729 -8.139 -5.703 159 HB3 ASN 21 1HB ASN 21 1.338 -6.593 -6.449 160 HD21 ASN 21 1HD2 ASN 21 1.617 -8.363 -3.493 161 HD22 ASN 21 2HD2 ASN 21 1.371 -7.024 -2.430 162 H THR 22 HN THR 22 0.429 -10.232 -5.648 163 HA THR 22 HA THR 22 -1.747 -10.928 -3.891 164 HB THR 22 HB THR 22 -0.805 -12.582 -5.484 165 HG1 THR 22 1HG THR 22 -0.868 -14.292 -4.033 166 HG21 THR 22 3HG2 THR 22 1.541 -11.987 -5.382 167 HG22 THR 22 1HG2 THR 22 1.332 -13.684 -4.938 168 HG23 THR 22 2HG2 THR 22 1.616 -12.471 -3.689 169 H VAL 23 HN VAL 23 -1.669 -11.206 -1.725 170 HA VAL 23 HA VAL 23 0.835 -10.486 -0.352 171 HB VAL 23 HB VAL 23 -1.987 -10.316 0.731 172 HG11 VAL 23 1HG1 VAL 23 -0.974 -9.085 2.585 173 HG12 VAL 23 2HG1 VAL 23 0.622 -9.337 1.879 174 HG13 VAL 23 3HG1 VAL 23 -0.314 -10.716 2.456 175 HG21 VAL 23 3HG2 VAL 23 -1.708 -8.644 -0.983 176 HG22 VAL 23 1HG2 VAL 23 -0.160 -8.144 -0.297 177 HG23 VAL 23 2HG2 VAL 23 -1.655 -7.854 0.593 178 H SER 24 HN SER 24 -1.873 -12.700 -0.491 179 HA SER 24 HA SER 24 -0.353 -14.840 0.627 180 HG SER 24 HG SER 24 -2.812 -12.994 3.217 181 HB2 SER 24 2HB SER 24 -2.010 -15.217 2.527 182 HB3 SER 24 1HB SER 24 -0.891 -13.871 2.737 183 H HIS 25 HN HIS 25 -3.469 -13.548 -0.330 184 HA HIS 25 HA HIS 25 -5.115 -14.340 -1.671 185 HD1 HIS 25 1HD HIS 25 -5.167 -16.896 -4.833 186 HD2 HIS 25 2HD HIS 25 -3.292 -13.361 -3.698 187 HE1 HIS 25 1HE HIS 25 -5.197 -15.426 -6.872 188 HE2 HIS 25 2HE HIS 25 -3.869 -13.381 -6.219 189 HB2 HIS 25 2HB HIS 25 -2.930 -16.165 -2.323 190 HB3 HIS 25 1HB HIS 25 -4.508 -16.929 -2.460 191 H SER 26 HN SER 26 -6.763 -14.570 -0.307 192 HA SER 26 HA SER 26 -6.941 -16.560 1.700 193 HG SER 26 HG SER 26 -8.027 -14.051 2.661 194 HB2 SER 26 2HB SER 26 -9.268 -15.131 0.406 195 HB3 SER 26 1HB SER 26 -9.158 -15.754 2.053 196 H ASP 27 HN ASP 27 -8.851 -16.135 -1.269 197 HA ASP 27 HA ASP 27 -9.839 -17.591 -2.712 198 HB2 ASP 27 2HB ASP 27 -7.326 -18.142 -2.914 199 HB3 ASP 27 1HB ASP 27 -7.702 -19.580 -1.971 200 H LYS 28 HN LYS 28 -10.586 -17.645 0.112 201 HA LYS 28 HA LYS 28 -11.102 -20.399 0.799 202 HB2 LYS 28 2HB LYS 28 -10.519 -18.564 2.444 203 HB3 LYS 28 1HB LYS 28 -12.115 -17.894 2.152 204 HG2 LYS 28 2HG LYS 28 -13.141 -19.927 3.019 205 HG3 LYS 28 1HG LYS 28 -11.541 -20.626 3.285 206 HD2 LYS 28 2HD LYS 28 -11.028 -18.694 4.780 207 HD3 LYS 28 1HD LYS 28 -12.708 -18.182 4.614 208 HE2 LYS 28 2HE LYS 28 -13.460 -20.276 5.602 209 HE3 LYS 28 1HE LYS 28 -11.790 -20.837 5.717 210 HZ1 LYS 28 3HZ LYS 28 -12.379 -20.007 7.838 211 HZ2 LYS 28 1HZ LYS 28 -13.050 -18.589 7.191 212 HZ3 LYS 28 2HZ LYS 28 -11.375 -18.833 7.142 213 H LYS 29 HN LYS 29 -12.972 -21.474 0.498 214 HA LYS 29 HA LYS 29 -14.906 -20.454 -1.297 215 HB2 LYS 29 2HB LYS 29 -16.123 -22.550 -0.858 216 HB3 LYS 29 1HB LYS 29 -14.420 -22.824 -1.196 217 HG2 LYS 29 2HG LYS 29 -13.987 -23.099 1.190 218 HG3 LYS 29 1HG LYS 29 -15.696 -22.817 1.531 219 HD2 LYS 29 2HD LYS 29 -16.278 -24.787 0.183 220 HD3 LYS 29 1HD LYS 29 -14.564 -25.074 -0.122 221 HE2 LYS 29 2HE LYS 29 -14.195 -25.351 2.289 222 HE3 LYS 29 1HE LYS 29 -15.916 -25.094 2.574 223 HZ1 LYS 29 3HZ LYS 29 -16.401 -27.066 1.281 224 HZ2 LYS 29 1HZ LYS 29 -15.341 -27.448 2.548 225 HZ3 LYS 29 2HZ LYS 29 -14.750 -27.304 0.965 226 H SER 30 HN SER 30 -14.500 -19.797 1.909 227 HA SER 30 HA SER 30 -17.356 -19.399 2.420 228 HG SER 30 HG SER 30 -16.588 -21.409 3.667 229 HB2 SER 30 2HB SER 30 -15.086 -19.109 4.388 230 HB3 SER 30 1HB SER 30 -16.802 -19.320 4.735 231 H GLU 31 HN GLU 31 -14.953 -17.743 1.030 232 HA GLU 31 HA GLU 31 -15.069 -15.253 2.450 233 HB2 GLU 31 2HB GLU 31 -13.896 -16.084 -0.189 234 HB3 GLU 31 1HB GLU 31 -13.916 -14.404 0.322 235 HG2 GLU 31 2HG GLU 31 -12.615 -16.662 1.825 236 HG3 GLU 31 1HG GLU 31 -11.782 -15.513 0.778 237 H ARG 32 HN ARG 32 -16.610 -13.789 2.315 238 HA ARG 32 HA ARG 32 -18.532 -13.743 0.180 239 HE ARG 32 HE ARG 32 -20.498 -15.480 3.541 240 HB2 ARG 32 2HB ARG 32 -17.934 -11.697 2.333 241 HB3 ARG 32 1HB ARG 32 -19.329 -11.667 1.263 242 HG2 ARG 32 2HG ARG 32 -18.722 -13.857 3.241 243 HG3 ARG 32 1HG ARG 32 -19.849 -12.528 3.511 244 HD2 ARG 32 2HD ARG 32 -21.272 -13.282 1.742 245 HD3 ARG 32 1HD ARG 32 -20.084 -14.480 1.230 246 HH11 ARG 32 1HH1 ARG 32 -22.952 -13.779 1.701 247 HH12 ARG 32 2HH1 ARG 32 -24.270 -14.662 2.412 248 HH21 ARG 32 1HH2 ARG 32 -22.229 -16.644 4.468 249 HH22 ARG 32 2HH2 ARG 32 -23.861 -16.286 3.982 250 H TRP 33 HN TRP 33 -18.815 -11.595 -1.076 251 HA TRP 33 HA TRP 33 -16.632 -11.320 -2.753 252 HD1 TRP 33 1HD TRP 33 -20.825 -11.215 -2.747 253 HE1 TRP 33 1HE TRP 33 -21.435 -12.794 -4.689 254 HE3 TRP 33 3HE TRP 33 -16.576 -10.717 -5.533 255 HZ2 TRP 33 2HZ TRP 33 -20.249 -13.711 -7.085 256 HZ3 TRP 33 3HZ TRP 33 -16.385 -11.984 -7.631 257 HH2 TRP 33 2HH TRP 33 -18.187 -13.451 -8.389 258 HB2 TRP 33 2HB TRP 33 -18.963 -9.470 -2.328 259 HB3 TRP 33 1HB TRP 33 -17.766 -9.238 -3.604 260 H PHE 34 HN PHE 34 -14.703 -10.603 -2.316 261 HA PHE 34 HA PHE 34 -14.379 -8.454 -0.348 262 HD1 PHE 34 2HD PHE 34 -13.766 -12.445 -0.930 263 HD2 PHE 34 1HD PHE 34 -10.651 -9.774 -2.060 264 HE1 PHE 34 2HE PHE 34 -12.837 -14.165 -2.420 265 HE2 PHE 34 1HE PHE 34 -9.713 -11.495 -3.547 266 HZ PHE 34 HZ PHE 34 -10.805 -13.692 -3.728 267 HB2 PHE 34 2HB PHE 34 -12.029 -9.320 -0.143 268 HB3 PHE 34 1HB PHE 34 -13.273 -10.447 0.377 269 H ARG 35 HN ARG 35 -11.748 -7.786 -0.919 270 HA ARG 35 HA ARG 35 -12.099 -6.312 -3.448 271 HE ARG 35 HE ARG 35 -11.924 -5.631 0.718 272 HB2 ARG 35 2HB ARG 35 -10.743 -5.538 -0.858 273 HB3 ARG 35 1HB ARG 35 -10.502 -4.648 -2.348 274 HG2 ARG 35 2HG ARG 35 -12.120 -3.525 -0.951 275 HG3 ARG 35 1HG ARG 35 -12.899 -4.118 -2.415 276 HD2 ARG 35 2HD ARG 35 -14.215 -4.427 -0.308 277 HD3 ARG 35 1HD ARG 35 -13.940 -5.896 -1.239 278 HH11 ARG 35 1HH1 ARG 35 -15.343 -6.342 0.435 279 HH12 ARG 35 2HH1 ARG 35 -15.375 -7.374 1.828 280 HH21 ARG 35 1HH2 ARG 35 -11.968 -7.009 2.555 281 HH22 ARG 35 2HH2 ARG 35 -13.458 -7.770 3.023 282 HA PRO 36 HA PRO 36 -8.567 -9.201 -4.044 283 HB2 PRO 36 2HB PRO 36 -9.198 -8.866 -6.893 284 HB3 PRO 36 1HB PRO 36 -9.134 -10.339 -5.922 285 HG2 PRO 36 2HG PRO 36 -11.465 -9.325 -6.801 286 HG3 PRO 36 1HG PRO 36 -11.328 -10.143 -5.234 287 HD2 PRO 36 2HD PRO 36 -11.413 -7.208 -5.839 288 HD3 PRO 36 1HD PRO 36 -12.226 -8.115 -4.543 289 H ASN 37 HN ASN 37 -9.131 -6.610 -6.455 290 HA ASN 37 HA ASN 37 -6.254 -6.270 -6.711 291 HB2 ASN 37 2HB ASN 37 -8.623 -5.386 -8.294 292 HB3 ASN 37 1HB ASN 37 -7.133 -4.456 -8.431 293 HD21 ASN 37 1HD2 ASN 37 -8.571 -6.228 -10.355 294 HD22 ASN 37 2HD2 ASN 37 -7.378 -7.377 -10.869 295 H LEU 38 HN LEU 38 -8.596 -5.000 -4.747 296 HA LEU 38 HA LEU 38 -7.368 -2.368 -4.572 297 HG LEU 38 HG LEU 38 -9.950 -2.269 -5.479 298 HB2 LEU 38 2HB LEU 38 -9.797 -3.612 -3.349 299 HB3 LEU 38 1HB LEU 38 -9.075 -2.202 -2.596 300 HD11 LEU 38 1HD1 LEU 38 -11.873 -2.634 -4.005 301 HD12 LEU 38 2HD1 LEU 38 -11.926 -1.036 -4.750 302 HD13 LEU 38 3HD1 LEU 38 -11.424 -1.209 -3.068 303 HD21 LEU 38 3HD2 LEU 38 -9.837 0.175 -5.246 304 HD22 LEU 38 1HD2 LEU 38 -8.272 -0.586 -4.954 305 HD23 LEU 38 2HD2 LEU 38 -9.246 -0.020 -3.596 306 H GLN 39 HN GLN 39 -5.553 -2.234 -3.520 307 HA GLN 39 HA GLN 39 -4.749 -4.277 -1.668 308 HB2 GLN 39 2HB GLN 39 -3.364 -1.707 -2.459 309 HB3 GLN 39 1HB GLN 39 -2.636 -3.027 -1.553 310 HG2 GLN 39 2HG GLN 39 -3.670 -3.197 -4.375 311 HG3 GLN 39 1HG GLN 39 -1.977 -3.045 -3.909 312 HE21 GLN 39 1HE2 GLN 39 -2.279 -4.827 -1.613 313 HE22 GLN 39 2HE2 GLN 39 -2.406 -6.425 -2.256 314 H LYS 40 HN LYS 40 -5.828 -4.216 0.208 315 HA LYS 40 HA LYS 40 -6.346 -1.751 1.585 316 HB2 LYS 40 2HB LYS 40 -7.115 -3.324 3.428 317 HB3 LYS 40 1HB LYS 40 -7.984 -3.426 1.903 318 HG2 LYS 40 2HG LYS 40 -6.630 -5.408 1.309 319 HG3 LYS 40 1HG LYS 40 -5.858 -5.318 2.893 320 HD2 LYS 40 2HD LYS 40 -7.986 -5.666 3.990 321 HD3 LYS 40 1HD LYS 40 -8.824 -5.645 2.437 322 HE2 LYS 40 2HE LYS 40 -8.555 -7.926 3.186 323 HE3 LYS 40 1HE LYS 40 -7.556 -7.651 1.761 324 HZ1 LYS 40 3HZ LYS 40 -6.543 -7.538 4.546 325 HZ2 LYS 40 1HZ LYS 40 -5.621 -7.497 3.125 326 HZ3 LYS 40 2HZ LYS 40 -6.449 -8.912 3.565 327 H VAL 41 HN VAL 41 -4.774 -0.679 2.502 328 HA VAL 41 HA VAL 41 -2.710 -2.170 3.984 329 HB VAL 41 HB VAL 41 -1.074 -0.435 3.395 330 HG11 VAL 41 1HG1 VAL 41 -1.148 -2.462 2.076 331 HG12 VAL 41 2HG1 VAL 41 -0.735 -1.085 1.054 332 HG13 VAL 41 3HG1 VAL 41 -2.366 -1.755 1.014 333 HG21 VAL 41 3HG2 VAL 41 -2.585 1.424 3.003 334 HG22 VAL 41 1HG2 VAL 41 -3.230 0.623 1.568 335 HG23 VAL 41 2HG2 VAL 41 -1.550 1.161 1.600 336 H ARG 42 HN ARG 42 -1.642 -0.835 5.660 337 HA ARG 42 HA ARG 42 -3.710 0.546 7.158 338 HE ARG 42 HE ARG 42 1.944 -1.172 8.230 339 HB2 ARG 42 2HB ARG 42 -2.044 0.428 9.031 340 HB3 ARG 42 1HB ARG 42 -2.528 -1.134 8.387 341 HG2 ARG 42 2HG ARG 42 -0.442 -1.184 7.057 342 HG3 ARG 42 1HG ARG 42 0.041 0.328 7.823 343 HD2 ARG 42 2HD ARG 42 -0.033 -0.762 10.012 344 HD3 ARG 42 1HD ARG 42 -0.514 -2.272 9.238 345 HH11 ARG 42 1HH1 ARG 42 0.493 -3.260 10.631 346 HH12 ARG 42 2HH1 ARG 42 1.971 -4.115 10.964 347 HH21 ARG 42 1HH2 ARG 42 3.884 -2.326 8.637 348 HH22 ARG 42 2HH2 ARG 42 3.886 -3.587 9.838 349 H VAL 43 HN VAL 43 -3.908 2.648 7.153 350 HA VAL 43 HA VAL 43 -1.513 4.313 6.704 351 HB VAL 43 HB VAL 43 -3.017 5.999 5.645 352 HG11 VAL 43 1HG1 VAL 43 -1.644 4.497 4.284 353 HG12 VAL 43 2HG1 VAL 43 -3.168 4.878 3.481 354 HG13 VAL 43 3HG1 VAL 43 -2.953 3.315 4.269 355 HG21 VAL 43 3HG2 VAL 43 -5.140 5.286 6.573 356 HG22 VAL 43 1HG2 VAL 43 -5.025 3.748 5.714 357 HG23 VAL 43 2HG2 VAL 43 -5.211 5.252 4.810 358 H VAL 44 HN VAL 44 -1.865 6.595 7.519 359 HA VAL 44 HA VAL 44 -2.916 6.378 10.229 360 HB VAL 44 HB VAL 44 -0.642 7.366 9.755 361 HG11 VAL 44 1HG1 VAL 44 -0.521 9.716 9.108 362 HG12 VAL 44 2HG1 VAL 44 -2.260 9.730 8.815 363 HG13 VAL 44 3HG1 VAL 44 -1.204 8.730 7.816 364 HG21 VAL 44 3HG2 VAL 44 -0.869 9.132 11.457 365 HG22 VAL 44 1HG2 VAL 44 -1.729 7.657 11.900 366 HG23 VAL 44 2HG2 VAL 44 -2.623 9.046 11.286 367 H LEU 45 HN LEU 45 -4.578 7.440 11.033 368 HA LEU 45 HA LEU 45 -6.335 8.909 9.234 369 HG LEU 45 HG LEU 45 -6.778 6.103 10.407 370 HB2 LEU 45 2HB LEU 45 -6.643 7.903 12.066 371 HB3 LEU 45 1HB LEU 45 -7.886 8.791 11.215 372 HD11 LEU 45 1HD1 LEU 45 -9.440 6.880 11.587 373 HD12 LEU 45 2HD1 LEU 45 -8.160 5.978 12.398 374 HD13 LEU 45 3HD1 LEU 45 -8.997 5.271 11.016 375 HD21 LEU 45 3HD2 LEU 45 -7.432 7.406 8.466 376 HD22 LEU 45 1HD2 LEU 45 -8.995 7.757 9.203 377 HD23 LEU 45 2HD2 LEU 45 -8.585 6.105 8.747 378 HA PRO 46 HA PRO 46 -5.378 13.011 10.694 379 HB2 PRO 46 2HB PRO 46 -8.276 13.311 11.307 380 HB3 PRO 46 1HB PRO 46 -7.220 14.339 10.331 381 HG2 PRO 46 2HG PRO 46 -8.984 12.710 9.175 382 HG3 PRO 46 1HG PRO 46 -7.374 12.959 8.472 383 HD2 PRO 46 2HD PRO 46 -8.435 10.631 10.011 384 HD3 PRO 46 1HD PRO 46 -7.298 10.661 8.649 385 H ASP 47 HN ASP 47 -7.326 10.870 12.663 386 HA ASP 47 HA ASP 47 -7.105 12.393 15.081 387 HB2 ASP 47 2HB ASP 47 -7.613 9.421 14.827 388 HB3 ASP 47 1HB ASP 47 -7.979 10.439 16.214 389 H GLY 48 HN GLY 48 -4.973 10.411 13.335 390 HA2 GLY 48 2HA GLY 48 -2.695 10.073 13.914 391 HA3 GLY 48 1HA GLY 48 -3.123 10.254 15.610 392 H THR 49 HN THR 49 -5.382 8.377 14.086 393 HA THR 49 HA THR 49 -4.410 5.980 15.354 394 HB THR 49 HB THR 49 -6.899 6.143 13.691 395 HG1 THR 49 1HG THR 49 -7.951 7.223 15.259 396 HG21 THR 49 3HG2 THR 49 -6.189 4.660 16.226 397 HG22 THR 49 1HG2 THR 49 -6.307 3.967 14.609 398 HG23 THR 49 2HG2 THR 49 -7.749 4.589 15.409 399 H ILE 50 HN ILE 50 -4.301 3.958 14.200 400 HA ILE 50 HA ILE 50 -3.598 4.282 11.359 401 HB ILE 50 HB ILE 50 -2.657 2.151 13.296 402 HG12 ILE 50 2HG1 ILE 50 -1.174 4.459 12.010 403 HG13 ILE 50 1HG1 ILE 50 -1.644 4.357 13.705 404 HG21 ILE 50 1HG2 ILE 50 -2.864 1.251 11.057 405 HG22 ILE 50 2HG2 ILE 50 -1.158 1.466 11.457 406 HG23 ILE 50 3HG2 ILE 50 -1.967 2.619 10.394 407 HD11 ILE 50 3HD1 ILE 50 0.710 3.848 13.398 408 HD12 ILE 50 1HD1 ILE 50 0.296 2.538 12.294 409 HD13 ILE 50 2HD1 ILE 50 -0.166 2.438 13.993 410 H LYS 51 HN LYS 51 -4.928 3.376 9.938 411 HA LYS 51 HA LYS 51 -6.474 1.011 10.709 412 HB2 LYS 51 2HB LYS 51 -7.894 2.991 11.196 413 HB3 LYS 51 1HB LYS 51 -7.728 3.501 9.523 414 HG2 LYS 51 2HG LYS 51 -8.885 1.492 8.781 415 HG3 LYS 51 1HG LYS 51 -9.023 0.945 10.452 416 HD2 LYS 51 2HD LYS 51 -10.218 3.488 9.344 417 HD3 LYS 51 1HD LYS 51 -11.102 1.985 9.619 418 HE2 LYS 51 2HE LYS 51 -10.567 2.122 12.008 419 HE3 LYS 51 1HE LYS 51 -9.706 3.633 11.723 420 HZ1 LYS 51 3HZ LYS 51 -11.815 4.577 10.891 421 HZ2 LYS 51 1HZ LYS 51 -11.891 4.120 12.523 422 HZ3 LYS 51 2HZ LYS 51 -12.615 3.146 11.336 423 H ARG 52 HN ARG 52 -7.075 -0.294 8.947 424 HA ARG 52 HA ARG 52 -5.547 0.205 6.535 425 HE ARG 52 HE ARG 52 -6.665 -3.724 8.737 426 HB2 ARG 52 2HB ARG 52 -7.129 -2.166 7.494 427 HB3 ARG 52 1HB ARG 52 -6.423 -2.085 5.886 428 HG2 ARG 52 2HG ARG 52 -4.211 -1.882 6.830 429 HG3 ARG 52 1HG ARG 52 -4.884 -1.861 8.460 430 HD2 ARG 52 2HD ARG 52 -5.223 -4.138 6.518 431 HD3 ARG 52 1HD ARG 52 -3.967 -4.061 7.747 432 HH11 ARG 52 1HH1 ARG 52 -4.105 -6.019 8.039 433 HH12 ARG 52 2HH1 ARG 52 -4.706 -7.226 9.131 434 HH21 ARG 52 1HH2 ARG 52 -7.459 -5.307 10.163 435 HH22 ARG 52 2HH2 ARG 52 -6.621 -6.820 10.338 436 H MET 53 HN MET 53 -6.329 0.689 4.615 437 HA MET 53 HA MET 53 -9.228 0.679 4.187 438 HB2 MET 53 2HB MET 53 -7.463 3.104 3.802 439 HB3 MET 53 1HB MET 53 -9.066 2.951 3.096 440 HG2 MET 53 2HG MET 53 -9.916 2.609 5.456 441 HG3 MET 53 1HG MET 53 -8.322 3.128 5.997 442 HE1 MET 53 3HE MET 53 -8.192 6.782 4.483 443 HE2 MET 53 1HE MET 53 -7.689 5.306 3.652 444 HE3 MET 53 2HE MET 53 -7.289 5.544 5.355 445 H ARG 54 HN ARG 54 -9.696 1.303 1.826 446 HA ARG 54 HA ARG 54 -8.135 -0.536 0.226 447 HE ARG 54 HE ARG 54 -12.248 0.754 1.266 448 HB2 ARG 54 2HB ARG 54 -10.634 1.055 -0.335 449 HB3 ARG 54 1HB ARG 54 -9.897 -0.036 -1.500 450 HG2 ARG 54 2HG ARG 54 -10.451 -1.921 -0.290 451 HG3 ARG 54 1HG ARG 54 -10.598 -1.034 1.225 452 HD2 ARG 54 2HD ARG 54 -12.483 -0.665 -1.094 453 HD3 ARG 54 1HD ARG 54 -12.764 -1.827 0.204 454 HH11 ARG 54 1HH1 ARG 54 -14.774 -1.098 -0.346 455 HH12 ARG 54 2HH1 ARG 54 -16.059 -0.152 0.338 456 HH21 ARG 54 1HH2 ARG 54 -13.959 1.979 2.158 457 HH22 ARG 54 2HH2 ARG 54 -15.610 1.573 1.756 458 H VAL 55 HN VAL 55 -6.326 0.145 -0.676 459 HA VAL 55 HA VAL 55 -6.275 2.830 -1.894 460 HB VAL 55 HB VAL 55 -3.918 1.220 -0.884 461 HG11 VAL 55 1HG1 VAL 55 -4.054 4.040 -1.943 462 HG12 VAL 55 2HG1 VAL 55 -3.311 2.658 -2.750 463 HG13 VAL 55 3HG1 VAL 55 -2.627 3.270 -1.242 464 HG21 VAL 55 3HG2 VAL 55 -5.217 3.669 0.296 465 HG22 VAL 55 1HG2 VAL 55 -3.765 2.871 0.900 466 HG23 VAL 55 2HG2 VAL 55 -5.318 2.033 0.946 467 H CYS 56 HN CYS 56 -5.424 3.037 -3.964 468 HA CYS 56 HA CYS 56 -5.600 0.594 -5.538 469 HG CYS 56 HG CYS 56 -6.048 4.943 -7.191 470 HB2 CYS 56 2HB CYS 56 -5.621 2.136 -7.479 471 HB3 CYS 56 1HB CYS 56 -6.894 2.495 -6.322 472 H THR 57 HN THR 57 -3.993 -0.035 -7.028 473 HA THR 57 HA THR 57 -1.341 0.110 -6.198 474 HB THR 57 HB THR 57 -2.023 -0.357 -9.085 475 HG1 THR 57 1HG THR 57 -2.460 -2.620 -8.191 476 HG21 THR 57 3HG2 THR 57 -0.331 -2.124 -8.842 477 HG22 THR 57 1HG2 THR 57 -0.159 -1.725 -7.131 478 HG23 THR 57 2HG2 THR 57 0.312 -0.555 -8.363 479 H SER 58 HN SER 58 -3.184 2.261 -8.217 480 HA SER 58 HA SER 58 -1.120 3.595 -9.549 481 HG SER 58 HG SER 58 -4.535 4.031 -10.576 482 HB2 SER 58 2HB SER 58 -3.697 4.831 -8.561 483 HB3 SER 58 1HB SER 58 -2.742 5.313 -9.969 484 H CYS 59 HN CYS 59 -2.667 4.269 -6.419 485 HA CYS 59 HA CYS 59 -0.946 6.404 -5.720 486 HG CYS 59 HG CYS 59 -2.964 7.963 -3.855 487 HB2 CYS 59 2HB CYS 59 -2.833 4.634 -4.207 488 HB3 CYS 59 1HB CYS 59 -1.755 5.711 -3.332 489 H LEU 60 HN LEU 60 -0.793 2.924 -5.343 490 HA LEU 60 HA LEU 60 1.307 2.860 -3.451 491 HG LEU 60 HG LEU 60 -1.345 1.162 -3.836 492 HB2 LEU 60 2HB LEU 60 0.406 0.803 -5.461 493 HB3 LEU 60 1HB LEU 60 1.577 0.494 -4.196 494 HD11 LEU 60 1HD1 LEU 60 -0.914 -1.131 -4.481 495 HD12 LEU 60 2HD1 LEU 60 -1.416 -1.053 -2.792 496 HD13 LEU 60 3HD1 LEU 60 0.283 -1.289 -3.197 497 HD21 LEU 60 3HD2 LEU 60 0.789 0.760 -1.736 498 HD22 LEU 60 1HD2 LEU 60 -0.941 0.933 -1.434 499 HD23 LEU 60 2HD2 LEU 60 -0.024 2.279 -2.109 500 H LYS 61 HN LYS 61 1.311 2.638 -6.996 501 HA LYS 61 HA LYS 61 4.136 2.235 -7.172 502 HB2 LYS 61 2HB LYS 61 2.107 3.040 -9.259 503 HB3 LYS 61 1HB LYS 61 3.788 2.672 -9.610 504 HG2 LYS 61 2HG LYS 61 1.776 0.768 -8.433 505 HG3 LYS 61 1HG LYS 61 2.333 0.789 -10.106 506 HD2 LYS 61 2HD LYS 61 4.668 0.430 -9.206 507 HD3 LYS 61 1HD LYS 61 3.927 0.133 -7.632 508 HE2 LYS 61 2HE LYS 61 2.610 -1.694 -8.610 509 HE3 LYS 61 1HE LYS 61 3.376 -1.402 -10.173 510 HZ1 LYS 61 3HZ LYS 61 4.635 -3.105 -9.332 511 HZ2 LYS 61 1HZ LYS 61 4.527 -2.564 -7.728 512 HZ3 LYS 61 2HZ LYS 61 5.543 -1.766 -8.823 513 H SER 62 HN SER 62 2.335 4.967 -6.489 514 HA SER 62 HA SER 62 4.536 6.703 -7.389 515 HG SER 62 HG SER 62 3.479 9.009 -6.537 516 HB2 SER 62 2HB SER 62 2.443 7.291 -8.492 517 HB3 SER 62 1HB SER 62 1.621 7.393 -6.934 518 H GLY 63 HN GLY 63 3.320 5.203 -4.730 519 HA2 GLY 63 2HA GLY 63 3.433 5.537 -2.464 520 HA3 GLY 63 1HA GLY 63 4.741 6.658 -2.815 521 H LYS 64 HN LYS 64 1.485 7.076 -4.027 522 HA LYS 64 HA LYS 64 1.526 9.745 -2.886 523 HB2 LYS 64 2HB LYS 64 1.021 9.387 -5.295 524 HB3 LYS 64 1HB LYS 64 -0.453 8.549 -4.834 525 HG2 LYS 64 2HG LYS 64 -0.765 10.931 -5.515 526 HG3 LYS 64 1HG LYS 64 -1.394 10.533 -3.915 527 HD2 LYS 64 2HD LYS 64 0.755 11.399 -2.958 528 HD3 LYS 64 1HD LYS 64 1.177 11.963 -4.575 529 HE2 LYS 64 2HE LYS 64 -0.669 13.469 -4.612 530 HE3 LYS 64 1HE LYS 64 -1.349 12.761 -3.149 531 HZ1 LYS 64 3HZ LYS 64 1.173 14.320 -3.346 532 HZ2 LYS 64 1HZ LYS 64 0.619 13.550 -1.939 533 HZ3 LYS 64 2HZ LYS 64 -0.275 14.819 -2.623 534 H VAL 65 HN VAL 65 1.269 8.174 -0.871 535 HA VAL 65 HA VAL 65 -1.358 8.958 0.110 536 HB VAL 65 HB VAL 65 -1.413 6.854 1.541 537 HG11 VAL 65 1HG1 VAL 65 -1.793 6.568 -1.436 538 HG12 VAL 65 2HG1 VAL 65 -2.988 7.120 -0.262 539 HG13 VAL 65 3HG1 VAL 65 -2.426 5.451 -0.227 540 HG21 VAL 65 3HG2 VAL 65 0.867 6.107 1.196 541 HG22 VAL 65 1HG2 VAL 65 0.557 5.885 -0.524 542 HG23 VAL 65 2HG2 VAL 65 -0.269 4.869 0.658 543 H LYS 66 HN LYS 66 -1.281 9.243 2.493 544 HA LYS 66 HA LYS 66 1.345 10.232 3.190 545 HB2 LYS 66 2HB LYS 66 -0.030 10.935 5.348 546 HB3 LYS 66 1HB LYS 66 -0.082 11.860 3.858 547 HG2 LYS 66 2HG LYS 66 -2.297 11.702 4.626 548 HG3 LYS 66 1HG LYS 66 -2.176 10.580 3.274 549 HD2 LYS 66 2HD LYS 66 -2.005 8.709 4.802 550 HD3 LYS 66 1HD LYS 66 -1.982 9.806 6.184 551 HE2 LYS 66 2HE LYS 66 -4.254 9.440 4.234 552 HE3 LYS 66 1HE LYS 66 -4.189 8.822 5.883 553 HZ1 LYS 66 3HZ LYS 66 -5.483 10.856 5.739 554 HZ2 LYS 66 1HZ LYS 66 -4.145 11.699 5.122 555 HZ3 LYS 66 2HZ LYS 66 -4.107 11.088 6.705 556 H LYS 67 HN LYS 67 0.019 7.308 3.401 557 HA LYS 67 HA LYS 67 0.519 5.408 4.528 558 HB2 LYS 67 2HB LYS 67 2.935 7.101 4.995 559 HB3 LYS 67 1HB LYS 67 2.794 5.583 5.868 560 HG2 LYS 67 2HG LYS 67 4.049 5.061 3.982 561 HG3 LYS 67 1HG LYS 67 2.425 4.509 3.582 562 HD2 LYS 67 2HD LYS 67 3.289 5.611 1.656 563 HD3 LYS 67 1HD LYS 67 2.089 6.688 2.371 564 HE2 LYS 67 2HE LYS 67 3.900 7.954 3.457 565 HE3 LYS 67 1HE LYS 67 5.084 6.890 2.698 566 HZ1 LYS 67 3HZ LYS 67 4.395 7.671 0.541 567 HZ2 LYS 67 1HZ LYS 67 4.773 9.014 1.504 568 HZ3 LYS 67 2HZ LYS 67 3.157 8.603 1.218 569 H TYR 68 HN TYR 68 1.603 4.791 6.939 570 HA TYR 68 HA TYR 68 -0.401 5.896 8.738 571 HD1 TYR 68 2HD TYR 68 1.605 2.959 6.927 572 HD2 TYR 68 1HD TYR 68 2.137 3.163 11.147 573 HE1 TYR 68 2HE TYR 68 3.655 1.618 6.728 574 HE2 TYR 68 1HE TYR 68 4.189 1.822 10.952 575 HH TYR 68 HH TYR 68 5.824 1.354 8.135 576 HB2 TYR 68 2HB TYR 68 0.174 3.992 10.220 577 HB3 TYR 68 1HB TYR 68 -0.324 3.475 8.613 578 H VAL 69 HN VAL 69 2.787 6.314 7.998 579 HA VAL 69 HA VAL 69 3.224 7.956 10.342 580 HB VAL 69 HB VAL 69 5.605 7.066 10.562 581 HG11 VAL 69 1HG1 VAL 69 3.897 6.674 12.254 582 HG12 VAL 69 2HG1 VAL 69 4.957 5.276 12.084 583 HG13 VAL 69 3HG1 VAL 69 3.340 5.247 11.377 584 HG21 VAL 69 3HG2 VAL 69 5.753 5.759 8.542 585 HG22 VAL 69 1HG2 VAL 69 4.400 4.747 9.049 586 HG23 VAL 69 2HG2 VAL 69 5.926 4.692 9.932 587 H GLY 70 HN GLY 70 4.730 6.728 7.379 588 HA2 GLY 70 2HA GLY 70 4.915 8.702 5.706 589 HA3 GLY 70 1HA GLY 70 5.976 9.339 6.961 590 H GLN 71 HN GLN 71 6.506 8.439 4.150 591 HA GLN 71 HA GLN 71 8.817 6.776 4.798 592 HB2 GLN 71 2HB GLN 71 6.847 6.027 2.620 593 HB3 GLN 71 1HB GLN 71 8.409 5.265 2.879 594 HG2 GLN 71 2HG GLN 71 7.538 4.696 5.216 595 HG3 GLN 71 1HG GLN 71 5.947 5.119 4.579 596 HE21 GLN 71 1HE2 GLN 71 5.024 3.822 2.968 597 HE22 GLN 71 2HE2 GLN 71 5.593 2.224 2.653 598 H VAL 72 HN VAL 72 10.536 7.050 3.375 599 HA VAL 72 HA VAL 72 10.424 9.380 1.674 600 HB VAL 72 HB VAL 72 12.805 8.932 1.225 601 HG11 VAL 72 1HG1 VAL 72 12.216 10.241 3.170 602 HG12 VAL 72 2HG1 VAL 72 13.627 9.243 3.522 603 HG13 VAL 72 3HG1 VAL 72 12.040 8.777 4.136 604 HG21 VAL 72 3HG2 VAL 72 12.395 6.500 2.962 605 HG22 VAL 72 1HG2 VAL 72 13.952 7.100 2.387 606 HG23 VAL 72 2HG2 VAL 72 12.758 6.503 1.235 607 H SER 73 HN SER 73 11.803 8.955 -0.506 608 HA SER 73 HA SER 73 11.848 8.115 -2.612 609 HG SER 73 HG SER 73 13.251 6.761 -1.302 610 HB2 SER 73 2HB SER 73 10.827 5.572 -1.321 611 HB3 SER 73 1HB SER 73 11.442 5.705 -2.966 612 H GLU 74 HN GLU 74 9.411 9.349 -1.373 613 HA GLU 74 HA GLU 74 7.104 8.199 -2.564 614 HB2 GLU 74 2HB GLU 74 7.583 11.092 -1.793 615 HB3 GLU 74 1HB GLU 74 6.021 10.337 -2.073 616 HG2 GLU 74 2HG GLU 74 6.383 8.862 -0.162 617 HG3 GLU 74 1HG GLU 74 7.950 9.616 0.123 618 H VAL 75 HN VAL 75 9.504 10.508 -3.602 619 HA VAL 75 HA VAL 75 8.319 10.496 -6.295 620 HB VAL 75 HB VAL 75 9.880 12.420 -6.738 621 HG11 VAL 75 1HG1 VAL 75 7.864 12.824 -4.527 622 HG12 VAL 75 2HG1 VAL 75 7.511 12.764 -6.255 623 HG13 VAL 75 3HG1 VAL 75 8.494 14.075 -5.601 624 HG21 VAL 75 3HG2 VAL 75 10.807 13.627 -4.828 625 HG22 VAL 75 1HG2 VAL 75 11.485 12.002 -4.941 626 HG23 VAL 75 2HG2 VAL 75 10.241 12.360 -3.738 627 H GLY 76 HN GLY 76 9.609 8.227 -5.394 628 HA2 GLY 76 2HA GLY 76 12.369 8.106 -5.945 629 HA3 GLY 76 1HA GLY 76 11.273 6.735 -5.892 630 H SER 77 HN SER 77 9.599 7.970 -8.048 631 HA SER 77 HA SER 77 11.413 7.388 -10.290 632 HG SER 77 HG SER 77 10.577 5.392 -9.592 633 HB2 SER 77 2HB SER 77 8.411 7.013 -10.118 634 HB3 SER 77 1HB SER 77 9.411 6.656 -11.527
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