NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
622799 | 5odd | 25493 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -0.482 0.276 1.968 2 H2 MET 1 HT2 MET 1 -1.241 -1.154 1.492 3 H3 MET 1 HT3 MET 1 -1.319 0.210 0.498 4 HA MET 1 HA MET 1 0.251 -1.328 -0.414 5 HB2 MET 1 HB2 MET 1 1.642 1.021 0.900 6 HB3 MET 1 HB1 MET 1 2.249 0.119 -0.482 7 HG2 MET 1 HG2 MET 1 0.307 0.847 -1.793 8 HG3 MET 1 HG1 MET 1 -0.263 1.785 -0.413 9 HE1 MET 1 HE1 MET 1 2.599 2.774 0.726 10 HE2 MET 1 HE2 MET 1 1.181 3.821 0.651 11 HE3 MET 1 HE3 MET 1 2.715 4.363 -0.028 12 H THR 2 HN THR 2 2.403 -2.356 -0.223 13 HA THR 2 HA THR 2 3.879 -3.776 0.753 14 HB THR 2 HB THR 2 3.529 -2.045 3.219 15 HG1 THR 2 HG1 THR 2 5.827 -1.698 1.782 16 HG21 THR 2 HG21 THR 2 5.794 -2.863 3.807 17 HG22 THR 2 HG22 THR 2 5.729 -3.970 2.436 18 HG23 THR 2 HG23 THR 2 4.597 -4.160 3.775 19 H ALA 3 HN ALA 3 2.961 -5.760 0.857 20 HA ALA 3 HA ALA 3 0.833 -6.395 2.697 21 HB1 ALA 3 HB1 ALA 3 2.420 -8.223 0.890 22 HB2 ALA 3 HB2 ALA 3 0.940 -7.371 0.443 23 HB3 ALA 3 HB3 ALA 3 0.899 -8.612 1.697 24 H ALA 4 HN ALA 4 4.308 -6.815 2.650 25 HA ALA 4 HA ALA 4 4.159 -7.997 5.353 26 HB1 ALA 4 HB1 ALA 4 6.078 -8.844 3.181 27 HB2 ALA 4 HB2 ALA 4 4.698 -9.774 3.765 28 HB3 ALA 4 HB3 ALA 4 6.056 -9.445 4.840 29 HA PRO 5 HA PRO 5 6.986 -4.444 5.858 30 HB2 PRO 5 HB2 PRO 5 6.473 -4.024 8.467 31 HB3 PRO 5 HB1 PRO 5 5.352 -3.504 7.203 32 HG2 PRO 5 HG2 PRO 5 5.244 -5.957 8.933 33 HG3 PRO 5 HG1 PRO 5 3.942 -4.826 8.518 34 HD2 PRO 5 HD2 PRO 5 4.296 -7.218 7.252 35 HD3 PRO 5 HD1 PRO 5 3.587 -5.797 6.457 36 H ALA 6 HN ALA 6 6.709 -7.319 7.917 37 HA ALA 6 HA ALA 6 8.228 -8.705 8.851 38 HB1 ALA 6 HB1 ALA 6 10.278 -7.298 7.143 39 HB2 ALA 6 HB2 ALA 6 9.265 -8.642 6.618 40 HB3 ALA 6 HB3 ALA 6 10.445 -8.881 7.906 41 H SER 7 HN SER 7 10.331 -5.809 8.545 42 HA SER 7 HA SER 7 11.234 -6.269 11.277 43 HB2 SER 7 HB2 SER 7 12.808 -5.769 9.356 44 HB3 SER 7 HB1 SER 7 12.207 -4.112 9.394 45 HG SER 7 HG SER 7 13.667 -3.831 10.880 46 HA PRO 8 HA PRO 8 8.332 -3.696 13.289 47 HB2 PRO 8 HB2 PRO 8 10.599 -3.115 15.149 48 HB3 PRO 8 HB1 PRO 8 8.957 -3.668 15.509 49 HG2 PRO 8 HG2 PRO 8 10.959 -5.391 15.587 50 HG3 PRO 8 HG1 PRO 8 9.419 -5.864 14.841 51 HD2 PRO 8 HD2 PRO 8 11.994 -5.057 13.529 52 HD3 PRO 8 HD1 PRO 8 10.854 -6.343 13.077 53 H GLN 9 HN GLN 9 11.473 -2.191 12.560 54 HA GLN 9 HA GLN 9 10.840 0.420 13.418 55 HB2 GLN 9 HB2 GLN 9 12.733 -0.421 11.205 56 HB3 GLN 9 HB1 GLN 9 12.668 1.185 11.920 57 HG2 GLN 9 HG2 GLN 9 14.445 0.190 13.014 58 HG3 GLN 9 HG1 GLN 9 13.114 -0.016 14.148 59 HE21 GLN 9 HE21 GLN 9 13.880 -1.807 15.162 60 HE22 GLN 9 HE22 GLN 9 14.103 -3.334 14.386 61 H GLN 10 HN GLN 10 10.278 -1.208 10.375 62 HA GLN 10 HA GLN 10 9.387 1.055 8.915 63 HB2 GLN 10 HB2 GLN 10 8.983 -1.911 8.502 64 HB3 GLN 10 HB1 GLN 10 8.508 -0.683 7.331 65 HG2 GLN 10 HG2 GLN 10 10.688 -0.150 6.789 66 HG3 GLN 10 HG1 GLN 10 11.324 -0.706 8.333 67 HE21 GLN 10 HE21 GLN 10 10.039 -3.252 8.294 68 HE22 GLN 10 HE22 GLN 10 10.801 -4.200 7.066 69 H ILE 11 HN ILE 11 7.736 -1.239 11.018 70 HA ILE 11 HA ILE 11 5.072 -0.567 10.378 71 HB ILE 11 HB ILE 11 6.296 -1.603 12.943 72 HG12 ILE 11 HG12 ILE 11 4.984 -3.669 12.298 73 HG13 ILE 11 HG11 ILE 11 4.613 -2.884 10.769 74 HG21 ILE 11 HG21 ILE 11 3.373 -1.115 12.368 75 HG22 ILE 11 HG22 ILE 11 4.355 -0.342 13.612 76 HG23 ILE 11 HG23 ILE 11 3.986 -2.063 13.723 77 HD11 ILE 11 HD11 ILE 11 7.353 -3.612 11.772 78 HD12 ILE 11 HD12 ILE 11 7.000 -2.803 10.246 79 HD13 ILE 11 HD13 ILE 11 6.434 -4.449 10.524 80 H ARG 12 HN ARG 12 7.379 0.886 12.662 81 HA ARG 12 HA ARG 12 5.665 2.698 13.927 82 HB2 ARG 12 HB2 ARG 12 7.910 2.304 14.757 83 HB3 ARG 12 HB1 ARG 12 8.615 2.966 13.287 84 HG2 ARG 12 HG2 ARG 12 7.775 5.172 13.833 85 HG3 ARG 12 HG1 ARG 12 6.935 4.533 15.245 86 HD2 ARG 12 HD2 ARG 12 9.004 5.648 15.888 87 HD3 ARG 12 HD1 ARG 12 9.078 3.925 16.253 88 HE ARG 12 HE ARG 12 10.219 4.403 13.714 89 HH11 ARG 12 HH11 ARG 12 10.849 4.875 17.061 90 HH12 ARG 12 HH12 ARG 12 12.564 4.895 16.859 91 HH21 ARG 12 HH21 ARG 12 12.434 4.390 13.456 92 HH22 ARG 12 HH22 ARG 12 13.455 4.621 14.831 93 H ASP 13 HN ASP 13 7.597 3.138 10.966 94 HA ASP 13 HA ASP 13 6.948 5.804 10.440 95 HB2 ASP 13 HB2 ASP 13 8.711 4.564 9.242 96 HB3 ASP 13 HB1 ASP 13 7.483 3.583 8.446 97 H ARG 14 HN ARG 14 5.243 2.826 9.574 98 HA ARG 14 HA ARG 14 3.229 4.073 7.997 99 HB2 ARG 14 HB2 ARG 14 3.034 1.419 9.437 100 HB3 ARG 14 HB1 ARG 14 2.078 1.950 8.059 101 HG2 ARG 14 HG2 ARG 14 4.500 2.163 6.956 102 HG3 ARG 14 HG1 ARG 14 4.866 0.929 8.164 103 HD2 ARG 14 HD2 ARG 14 4.227 -0.154 6.106 104 HD3 ARG 14 HD1 ARG 14 2.949 -0.407 7.300 105 HE ARG 14 HE ARG 14 2.585 1.880 5.574 106 HH11 ARG 14 HH11 ARG 14 1.897 -1.477 6.008 107 HH12 ARG 14 HH12 ARG 14 0.541 -1.432 4.941 108 HH21 ARG 14 HH21 ARG 14 0.849 1.916 4.250 109 HH22 ARG 14 HH22 ARG 14 -0.065 0.469 3.983 110 H LEU 15 HN LEU 15 3.496 3.346 11.435 111 HA LEU 15 HA LEU 15 0.808 3.871 12.152 112 HB2 LEU 15 HB2 LEU 15 2.418 2.740 13.636 113 HB3 LEU 15 HB1 LEU 15 3.336 4.227 13.777 114 HG LEU 15 HG LEU 15 1.351 5.294 14.859 115 HD11 LEU 15 HD11 LEU 15 -0.397 3.868 13.952 116 HD12 LEU 15 HD12 LEU 15 -0.441 3.864 15.715 117 HD13 LEU 15 HD13 LEU 15 0.241 2.487 14.848 118 HD21 LEU 15 HD21 LEU 15 1.638 4.186 17.022 119 HD22 LEU 15 HD22 LEU 15 3.184 4.414 16.203 120 HD23 LEU 15 HD23 LEU 15 2.424 2.821 16.223 121 H LEU 16 HN LEU 16 3.677 5.978 12.120 122 HA LEU 16 HA LEU 16 2.388 8.260 13.163 123 HB2 LEU 16 HB2 LEU 16 4.985 7.790 11.763 124 HB3 LEU 16 HB1 LEU 16 4.439 9.439 12.000 125 HG LEU 16 HG LEU 16 5.981 8.775 13.771 126 HD11 LEU 16 HD11 LEU 16 4.617 9.369 15.708 127 HD12 LEU 16 HD12 LEU 16 3.150 9.047 14.783 128 HD13 LEU 16 HD13 LEU 16 4.215 10.372 14.314 129 HD21 LEU 16 HD21 LEU 16 3.969 6.621 14.443 130 HD22 LEU 16 HD22 LEU 16 5.396 7.035 15.391 131 HD23 LEU 16 HD23 LEU 16 5.581 6.365 13.772 132 H GLN 17 HN GLN 17 2.587 7.094 9.839 133 HA GLN 17 HA GLN 17 1.715 9.608 8.720 134 HB2 GLN 17 HB2 GLN 17 1.477 8.391 6.605 135 HB3 GLN 17 HB1 GLN 17 3.028 8.070 7.358 136 HG2 GLN 17 HG2 GLN 17 2.436 5.977 6.642 137 HG3 GLN 17 HG1 GLN 17 1.838 5.951 8.297 138 HE21 GLN 17 HE21 GLN 17 0.285 4.405 7.909 139 HE22 GLN 17 HE22 GLN 17 -1.115 4.697 6.942 140 H ALA 18 HN ALA 18 0.137 7.076 10.340 141 HA ALA 18 HA ALA 18 -2.479 7.599 9.128 142 HB1 ALA 18 HB1 ALA 18 -1.770 5.278 9.582 143 HB2 ALA 18 HB2 ALA 18 -3.261 5.712 10.417 144 HB3 ALA 18 HB3 ALA 18 -1.740 5.646 11.308 145 H ILE 19 HN ILE 19 -0.666 8.405 11.976 146 HA ILE 19 HA ILE 19 -3.012 9.770 13.134 147 HB ILE 19 HB ILE 19 -2.473 9.034 15.370 148 HG12 ILE 19 HG12 ILE 19 -0.200 7.444 14.139 149 HG13 ILE 19 HG11 ILE 19 -0.010 8.907 15.098 150 HG21 ILE 19 HG21 ILE 19 -3.941 7.576 14.089 151 HG22 ILE 19 HG22 ILE 19 -2.944 6.629 15.194 152 HG23 ILE 19 HG23 ILE 19 -2.548 6.683 13.474 153 HD11 ILE 19 HD11 ILE 19 0.474 6.954 16.425 154 HD12 ILE 19 HD12 ILE 19 -1.113 6.276 16.061 155 HD13 ILE 19 HD13 ILE 19 -0.983 7.745 17.029 156 H ASP 20 HN ASP 20 -2.431 11.424 14.780 157 HA ASP 20 HA ASP 20 -0.042 12.909 14.146 158 HB2 ASP 20 HB2 ASP 20 -2.200 13.274 16.238 159 HB3 ASP 20 HB1 ASP 20 -0.806 14.343 16.120 160 HA PRO 21 HA PRO 21 2.878 11.187 17.100 161 HB2 PRO 21 HB2 PRO 21 3.422 14.073 17.703 162 HB3 PRO 21 HB1 PRO 21 4.557 12.766 17.344 163 HG2 PRO 21 HG2 PRO 21 3.966 14.580 15.487 164 HG3 PRO 21 HG1 PRO 21 4.159 12.871 15.051 165 HD2 PRO 21 HD2 PRO 21 1.661 14.488 15.332 166 HD3 PRO 21 HD1 PRO 21 2.036 13.175 14.196 167 H GLN 22 HN GLN 22 0.454 13.560 17.958 168 HA GLN 22 HA GLN 22 0.739 13.150 20.811 169 HB2 GLN 22 HB2 GLN 22 -0.057 15.277 19.463 170 HB3 GLN 22 HB1 GLN 22 -1.635 14.516 19.576 171 HG2 GLN 22 HG2 GLN 22 0.013 14.890 22.047 172 HG3 GLN 22 HG1 GLN 22 -0.852 16.259 21.361 173 HE21 GLN 22 HE21 GLN 22 -3.141 14.795 20.477 174 HE22 GLN 22 HE22 GLN 22 -4.014 14.314 21.886 175 H SER 23 HN SER 23 -0.108 10.964 18.775 176 HA SER 23 HA SER 23 -1.114 8.947 19.027 177 HB2 SER 23 HB2 SER 23 -1.589 10.023 21.804 178 HB3 SER 23 HB1 SER 23 -2.118 8.413 21.318 179 HG SER 23 HG SER 23 -0.119 7.731 21.302 180 H ASN 24 HN ASN 24 -2.726 11.327 18.074 181 HA ASN 24 HA ASN 24 -5.384 10.124 18.541 182 HB2 ASN 24 HB2 ASN 24 -6.286 12.361 17.719 183 HB3 ASN 24 HB1 ASN 24 -5.516 12.350 19.300 184 HD21 ASN 24 HD21 ASN 24 -3.386 13.180 19.477 185 HD22 ASN 24 HD22 ASN 24 -2.818 14.366 18.349 186 H ILE 25 HN ILE 25 -6.765 9.720 16.798 187 HA ILE 25 HA ILE 25 -5.316 8.717 14.519 188 HB ILE 25 HB ILE 25 -8.290 8.605 15.071 189 HG12 ILE 25 HG12 ILE 25 -6.958 7.589 16.902 190 HG13 ILE 25 HG11 ILE 25 -7.908 6.395 16.026 191 HG21 ILE 25 HG21 ILE 25 -6.563 6.949 13.226 192 HG22 ILE 25 HG22 ILE 25 -7.752 8.158 12.743 193 HG23 ILE 25 HG23 ILE 25 -8.278 6.677 13.544 194 HD11 ILE 25 HD11 ILE 25 -4.963 6.907 15.698 195 HD12 ILE 25 HD12 ILE 25 -5.903 5.715 14.803 196 HD13 ILE 25 HD13 ILE 25 -5.703 5.551 16.546 197 H ARG 26 HN ARG 26 -5.054 9.718 12.586 198 HA ARG 26 HA ARG 26 -7.008 11.738 11.709 199 HB2 ARG 26 HB2 ARG 26 -4.315 10.916 10.595 200 HB3 ARG 26 HB1 ARG 26 -5.405 12.008 9.753 201 HG2 ARG 26 HG2 ARG 26 -5.303 13.518 11.748 202 HG3 ARG 26 HG1 ARG 26 -4.045 12.464 12.401 203 HD2 ARG 26 HD2 ARG 26 -2.671 12.870 10.405 204 HD3 ARG 26 HD1 ARG 26 -3.928 13.926 9.757 205 HE ARG 26 HE ARG 26 -2.990 14.718 12.351 206 HH11 ARG 26 HH11 ARG 26 -2.427 14.985 8.960 207 HH12 ARG 26 HH12 ARG 26 -1.517 16.443 9.124 208 HH21 ARG 26 HH21 ARG 26 -1.816 16.573 12.543 209 HH22 ARG 26 HH22 ARG 26 -1.178 17.341 11.127 210 H ASN 27 HN ASN 27 -5.610 8.629 10.737 211 HA ASN 27 HA ASN 27 -7.838 8.235 8.838 212 HB2 ASN 27 HB2 ASN 27 -4.901 7.689 8.337 213 HB3 ASN 27 HB1 ASN 27 -6.196 7.125 7.291 214 HD21 ASN 27 HD21 ASN 27 -4.421 9.882 8.408 215 HD22 ASN 27 HD22 ASN 27 -4.963 10.976 7.187 216 H MET 28 HN MET 28 -8.961 6.720 10.032 217 HA MET 28 HA MET 28 -7.803 4.615 11.509 218 HB2 MET 28 HB2 MET 28 -10.165 5.404 11.751 219 HB3 MET 28 HB1 MET 28 -10.544 4.623 10.221 220 HG2 MET 28 HG2 MET 28 -9.846 2.453 11.214 221 HG3 MET 28 HG1 MET 28 -9.622 3.276 12.756 222 HE1 MET 28 HE1 MET 28 -13.679 2.646 10.652 223 HE2 MET 28 HE2 MET 28 -12.154 1.953 10.104 224 HE3 MET 28 HE3 MET 28 -12.427 3.692 9.985 225 H VAL 29 HN VAL 29 -8.961 4.748 8.150 226 HA VAL 29 HA VAL 29 -8.666 2.053 7.485 227 HB VAL 29 HB VAL 29 -9.772 3.659 6.001 228 HG11 VAL 29 HG11 VAL 29 -8.466 5.165 4.560 229 HG12 VAL 29 HG12 VAL 29 -6.999 4.720 5.434 230 HG13 VAL 29 HG13 VAL 29 -8.297 5.576 6.267 231 HG21 VAL 29 HG21 VAL 29 -8.916 2.815 3.866 232 HG22 VAL 29 HG22 VAL 29 -8.987 1.533 5.075 233 HG23 VAL 29 HG23 VAL 29 -7.439 2.271 4.665 234 H ALA 30 HN ALA 30 -6.231 4.637 7.467 235 HA ALA 30 HA ALA 30 -4.108 3.047 6.426 236 HB1 ALA 30 HB1 ALA 30 -2.643 4.869 7.158 237 HB2 ALA 30 HB2 ALA 30 -3.971 5.576 8.080 238 HB3 ALA 30 HB3 ALA 30 -4.065 5.492 6.320 239 H VAL 31 HN VAL 31 -5.179 3.854 9.703 240 HA VAL 31 HA VAL 31 -3.190 2.570 11.189 241 HB VAL 31 HB VAL 31 -6.122 3.045 11.766 242 HG11 VAL 31 HG11 VAL 31 -5.461 1.058 13.029 243 HG12 VAL 31 HG12 VAL 31 -5.696 2.440 14.100 244 HG13 VAL 31 HG13 VAL 31 -4.065 1.924 13.670 245 HG21 VAL 31 HG21 VAL 31 -5.227 4.702 13.347 246 HG22 VAL 31 HG22 VAL 31 -4.703 5.023 11.693 247 HG23 VAL 31 HG23 VAL 31 -3.588 4.282 12.846 248 H LEU 32 HN LEU 32 -6.119 1.247 9.694 249 HA LEU 32 HA LEU 32 -6.127 -1.298 10.815 250 HB2 LEU 32 HB2 LEU 32 -6.963 -0.462 8.034 251 HB3 LEU 32 HB1 LEU 32 -7.357 -2.006 8.768 252 HG LEU 32 HG LEU 32 -8.274 0.706 9.749 253 HD11 LEU 32 HD11 LEU 32 -9.791 -1.529 8.403 254 HD12 LEU 32 HD12 LEU 32 -9.393 0.042 7.700 255 HD13 LEU 32 HD13 LEU 32 -10.502 -0.056 9.070 256 HD21 LEU 32 HD21 LEU 32 -8.929 -2.054 10.796 257 HD22 LEU 32 HD22 LEU 32 -9.653 -0.541 11.342 258 HD23 LEU 32 HD23 LEU 32 -7.938 -0.843 11.610 259 H GLU 33 HN GLU 33 -4.220 -0.104 8.058 260 HA GLU 33 HA GLU 33 -3.168 -2.601 7.269 261 HB2 GLU 33 HB2 GLU 33 -2.072 0.198 6.993 262 HB3 GLU 33 HB1 GLU 33 -1.224 -1.207 6.363 263 HG2 GLU 33 HG2 GLU 33 -3.366 -1.725 5.075 264 HG3 GLU 33 HG1 GLU 33 -3.881 -0.094 5.508 265 H VAL 34 HN VAL 34 -2.108 -0.316 9.767 266 HA VAL 34 HA VAL 34 0.357 -1.596 10.367 267 HB VAL 34 HB VAL 34 -1.400 0.134 12.128 268 HG11 VAL 34 HG11 VAL 34 0.079 -1.215 13.520 269 HG12 VAL 34 HG12 VAL 34 0.614 0.466 13.515 270 HG13 VAL 34 HG13 VAL 34 1.470 -0.736 12.546 271 HG21 VAL 34 HG21 VAL 34 1.056 0.797 10.500 272 HG22 VAL 34 HG22 VAL 34 0.190 1.912 11.560 273 HG23 VAL 34 HG23 VAL 34 -0.603 1.267 10.121 274 H ILE 35 HN ILE 35 -2.834 -1.808 11.959 275 HA ILE 35 HA ILE 35 -2.076 -3.755 13.862 276 HB ILE 35 HB ILE 35 -4.806 -3.014 12.782 277 HG12 ILE 35 HG12 ILE 35 -5.102 -2.024 15.056 278 HG13 ILE 35 HG11 ILE 35 -3.445 -2.455 15.440 279 HG21 ILE 35 HG21 ILE 35 -5.785 -4.321 14.618 280 HG22 ILE 35 HG22 ILE 35 -4.181 -4.917 15.047 281 HG23 ILE 35 HG23 ILE 35 -4.894 -5.344 13.490 282 HD11 ILE 35 HD11 ILE 35 -4.304 -0.533 13.303 283 HD12 ILE 35 HD12 ILE 35 -2.640 -0.953 13.715 284 HD13 ILE 35 HD13 ILE 35 -3.656 -0.115 14.888 285 H SER 36 HN SER 36 -3.647 -4.070 10.677 286 HA SER 36 HA SER 36 -3.957 -6.857 10.644 287 HB2 SER 36 HB2 SER 36 -4.992 -5.396 8.963 288 HB3 SER 36 HB1 SER 36 -3.404 -5.007 8.305 289 HG SER 36 HG SER 36 -4.730 -7.518 8.296 290 H SER 37 HN SER 37 -1.163 -4.858 9.792 291 HA SER 37 HA SER 37 0.505 -6.973 8.887 292 HB2 SER 37 HB2 SER 37 1.180 -4.250 10.034 293 HB3 SER 37 HB1 SER 37 2.392 -5.364 9.401 294 HG SER 37 HG SER 37 0.240 -4.162 7.996 295 H LEU 38 HN LEU 38 0.150 -5.411 12.062 296 HA LEU 38 HA LEU 38 2.080 -6.930 13.445 297 HB2 LEU 38 HB2 LEU 38 -0.425 -5.575 14.466 298 HB3 LEU 38 HB1 LEU 38 0.855 -6.198 15.486 299 HG LEU 38 HG LEU 38 1.125 -3.944 13.494 300 HD11 LEU 38 HD11 LEU 38 -0.133 -3.304 15.475 301 HD12 LEU 38 HD12 LEU 38 1.456 -2.542 15.469 302 HD13 LEU 38 HD13 LEU 38 1.150 -3.931 16.512 303 HD21 LEU 38 HD21 LEU 38 3.187 -5.236 13.626 304 HD22 LEU 38 HD22 LEU 38 3.169 -5.119 15.386 305 HD23 LEU 38 HD23 LEU 38 3.387 -3.668 14.407 306 H GLU 39 HN GLU 39 -1.275 -7.624 12.648 307 HA GLU 39 HA GLU 39 -1.580 -9.921 14.273 308 HB2 GLU 39 HB2 GLU 39 -2.911 -9.159 11.661 309 HB3 GLU 39 HB1 GLU 39 -3.387 -10.548 12.628 310 HG2 GLU 39 HG2 GLU 39 -3.931 -9.051 14.501 311 HG3 GLU 39 HG1 GLU 39 -3.476 -7.664 13.512 312 H LYS 40 HN LYS 40 0.014 -9.408 11.208 313 HA LYS 40 HA LYS 40 0.449 -12.289 10.816 314 HB2 LYS 40 HB2 LYS 40 1.179 -9.897 9.112 315 HB3 LYS 40 HB1 LYS 40 1.525 -11.566 8.684 316 HG2 LYS 40 HG2 LYS 40 -0.802 -12.075 8.480 317 HG3 LYS 40 HG1 LYS 40 -1.257 -10.504 9.147 318 HD2 LYS 40 HD2 LYS 40 -1.477 -10.599 6.679 319 HD3 LYS 40 HD1 LYS 40 -0.336 -9.367 7.217 320 HE2 LYS 40 HE2 LYS 40 1.524 -10.958 6.755 321 HE3 LYS 40 HE1 LYS 40 0.342 -12.099 6.113 322 HZ1 LYS 40 HZ1 LYS 40 -0.220 -10.552 4.388 323 HZ2 LYS 40 HZ2 LYS 40 1.456 -10.768 4.388 324 HZ3 LYS 40 HZ3 LYS 40 0.784 -9.361 5.046 325 H TYR 41 HN TYR 41 2.076 -9.488 12.017 326 HA TYR 41 HA TYR 41 4.567 -11.016 12.333 327 HB2 TYR 41 HB2 TYR 41 4.335 -8.231 11.177 328 HB3 TYR 41 HB1 TYR 41 5.843 -8.878 11.815 329 HD1 TYR 41 HD1 TYR 41 6.884 -10.865 10.724 330 HD2 TYR 41 HD2 TYR 41 3.562 -8.831 9.000 331 HE1 TYR 41 HE1 TYR 41 7.373 -11.911 8.557 332 HE2 TYR 41 HE2 TYR 41 4.046 -9.877 6.829 333 HH TYR 41 HH TYR 41 6.061 -12.501 6.470 334 HA PRO 42 HA PRO 42 3.812 -9.085 16.376 335 HB2 PRO 42 HB2 PRO 42 5.310 -11.235 17.572 336 HB3 PRO 42 HB1 PRO 42 3.571 -10.945 17.636 337 HG2 PRO 42 HG2 PRO 42 4.761 -13.064 16.315 338 HG3 PRO 42 HG1 PRO 42 3.140 -12.438 15.970 339 HD2 PRO 42 HD2 PRO 42 5.714 -11.944 14.522 340 HD3 PRO 42 HD1 PRO 42 4.071 -12.150 13.873 341 H ILE 43 HN ILE 43 5.081 -7.574 17.241 342 HA ILE 43 HA ILE 43 7.655 -7.011 16.268 343 HB ILE 43 HB ILE 43 6.303 -5.942 18.758 344 HG12 ILE 43 HG12 ILE 43 6.346 -4.797 15.949 345 HG13 ILE 43 HG11 ILE 43 5.000 -5.708 16.621 346 HG21 ILE 43 HG21 ILE 43 7.765 -3.987 18.479 347 HG22 ILE 43 HG22 ILE 43 8.570 -4.785 17.128 348 HG23 ILE 43 HG23 ILE 43 8.697 -5.460 18.752 349 HD11 ILE 43 HD11 ILE 43 4.653 -4.000 18.301 350 HD12 ILE 43 HD12 ILE 43 4.627 -3.298 16.681 351 HD13 ILE 43 HD13 ILE 43 6.052 -3.106 17.703 352 H THR 44 HN THR 44 9.678 -7.542 16.952 353 HA THR 44 HA THR 44 9.995 -9.566 18.958 354 HB THR 44 HB THR 44 12.400 -9.448 18.471 355 HG1 THR 44 HG1 THR 44 13.241 -7.758 17.533 356 HG21 THR 44 HG21 THR 44 12.312 -10.041 16.086 357 HG22 THR 44 HG22 THR 44 10.668 -9.403 15.999 358 HG23 THR 44 HG23 THR 44 11.019 -10.808 17.009 359 H LYS 45 HN LYS 45 11.657 -9.361 20.727 360 HA LYS 45 HA LYS 45 10.595 -7.338 22.447 361 HB2 LYS 45 HB2 LYS 45 12.636 -9.511 22.908 362 HB3 LYS 45 HB1 LYS 45 12.109 -8.407 24.168 363 HG2 LYS 45 HG2 LYS 45 10.854 -10.346 24.494 364 HG3 LYS 45 HG1 LYS 45 9.748 -9.222 23.714 365 HD2 LYS 45 HD2 LYS 45 11.264 -11.028 21.908 366 HD3 LYS 45 HD1 LYS 45 10.073 -11.800 22.950 367 HE2 LYS 45 HE2 LYS 45 8.337 -10.315 22.079 368 HE3 LYS 45 HE1 LYS 45 9.523 -9.504 21.061 369 HZ1 LYS 45 HZ1 LYS 45 8.349 -11.081 19.740 370 HZ2 LYS 45 HZ2 LYS 45 8.614 -12.321 20.851 371 HZ3 LYS 45 HZ3 LYS 45 9.910 -11.688 19.970 372 H GLU 46 HN GLU 46 13.905 -7.984 21.240 373 HA GLU 46 HA GLU 46 15.039 -5.721 22.532 374 HB2 GLU 46 HB2 GLU 46 16.986 -6.030 21.056 375 HB3 GLU 46 HB1 GLU 46 16.495 -7.531 21.815 376 HG2 GLU 46 HG2 GLU 46 15.744 -6.777 18.995 377 HG3 GLU 46 HG1 GLU 46 17.206 -7.671 19.403 378 H ALA 47 HN ALA 47 13.602 -6.207 19.352 379 HA ALA 47 HA ALA 47 14.122 -3.593 18.352 380 HB1 ALA 47 HB1 ALA 47 12.497 -4.103 16.628 381 HB2 ALA 47 HB2 ALA 47 11.925 -5.496 17.546 382 HB3 ALA 47 HB3 ALA 47 13.563 -5.484 16.891 383 H LEU 48 HN LEU 48 11.553 -4.943 20.338 384 HA LEU 48 HA LEU 48 9.606 -2.960 20.077 385 HB2 LEU 48 HB2 LEU 48 9.250 -5.099 21.228 386 HB3 LEU 48 HB1 LEU 48 10.336 -4.603 22.512 387 HG LEU 48 HG LEU 48 8.728 -2.745 23.057 388 HD11 LEU 48 HD11 LEU 48 6.457 -2.871 22.206 389 HD12 LEU 48 HD12 LEU 48 6.899 -4.223 21.163 390 HD13 LEU 48 HD13 LEU 48 7.600 -2.628 20.886 391 HD21 LEU 48 HD21 LEU 48 7.645 -5.561 23.224 392 HD22 LEU 48 HD22 LEU 48 7.124 -4.193 24.209 393 HD23 LEU 48 HD23 LEU 48 8.769 -4.809 24.356 394 H GLU 49 HN GLU 49 12.290 -3.158 22.413 395 HA GLU 49 HA GLU 49 11.827 -0.575 23.537 396 HB2 GLU 49 HB2 GLU 49 14.341 -2.262 23.562 397 HB3 GLU 49 HB1 GLU 49 14.029 -0.871 24.595 398 HG2 GLU 49 HG2 GLU 49 12.110 -2.063 25.587 399 HG3 GLU 49 HG1 GLU 49 12.489 -3.465 24.586 400 H GLU 50 HN GLU 50 14.006 -1.782 21.008 401 HA GLU 50 HA GLU 50 15.580 0.498 20.603 402 HB2 GLU 50 HB2 GLU 50 16.281 -1.536 19.609 403 HB3 GLU 50 HB1 GLU 50 14.746 -1.761 18.787 404 HG2 GLU 50 HG2 GLU 50 16.325 -1.166 17.134 405 HG3 GLU 50 HG1 GLU 50 15.300 0.242 17.381 406 H THR 51 HN THR 51 12.605 -0.453 18.872 407 HA THR 51 HA THR 51 12.589 2.117 17.482 408 HB THR 51 HB THR 51 10.689 -0.219 17.178 409 HG1 THR 51 HG1 THR 51 13.094 0.448 15.808 410 HG21 THR 51 HG21 THR 51 10.162 0.767 14.994 411 HG22 THR 51 HG22 THR 51 11.241 2.118 15.342 412 HG23 THR 51 HG23 THR 51 9.779 1.888 16.302 413 H ARG 52 HN ARG 52 11.447 0.974 20.387 414 HA ARG 52 HA ARG 52 10.094 1.841 21.986 415 HB2 ARG 52 HB2 ARG 52 10.256 4.199 20.120 416 HB3 ARG 52 HB1 ARG 52 9.244 4.265 21.553 417 HG2 ARG 52 HG2 ARG 52 11.281 5.277 22.154 418 HG3 ARG 52 HG1 ARG 52 11.301 3.682 22.900 419 HD2 ARG 52 HD2 ARG 52 12.712 2.867 21.037 420 HD3 ARG 52 HD1 ARG 52 12.736 4.499 20.367 421 HE ARG 52 HE ARG 52 13.611 4.520 23.062 422 HH11 ARG 52 HH11 ARG 52 14.682 3.642 19.907 423 HH12 ARG 52 HH12 ARG 52 16.351 3.849 20.305 424 HH21 ARG 52 HH21 ARG 52 15.784 4.767 23.544 425 HH22 ARG 52 HH22 ARG 52 16.958 4.464 22.314 426 H LEU 53 HN LEU 53 8.809 0.077 20.203 427 HA LEU 53 HA LEU 53 6.328 1.173 19.266 428 HB2 LEU 53 HB2 LEU 53 7.015 -1.725 19.750 429 HB3 LEU 53 HB1 LEU 53 5.618 -1.140 18.872 430 HG LEU 53 HG LEU 53 7.056 -1.791 17.184 431 HD11 LEU 53 HD11 LEU 53 6.258 0.481 16.790 432 HD12 LEU 53 HD12 LEU 53 7.839 0.213 16.060 433 HD13 LEU 53 HD13 LEU 53 7.707 1.131 17.560 434 HD21 LEU 53 HD21 LEU 53 8.980 -2.252 18.608 435 HD22 LEU 53 HD22 LEU 53 9.359 -0.529 18.663 436 HD23 LEU 53 HD23 LEU 53 9.449 -1.407 17.134 437 H GLY 54 HN GLY 54 7.313 0.547 22.398 438 HA2 GLY 54 HA2 GLY 54 5.090 -0.673 23.590 439 HA3 GLY 54 HA1 GLY 54 6.159 0.456 24.396 440 H LYS 55 HN LYS 55 5.591 2.699 22.677 441 HA LYS 55 HA LYS 55 3.257 3.801 23.785 442 HB2 LYS 55 HB2 LYS 55 5.036 5.189 22.867 443 HB3 LYS 55 HB1 LYS 55 4.753 4.542 21.257 444 HG2 LYS 55 HG2 LYS 55 2.522 5.567 21.242 445 HG3 LYS 55 HG1 LYS 55 2.822 6.227 22.851 446 HD2 LYS 55 HD2 LYS 55 4.692 7.540 21.975 447 HD3 LYS 55 HD1 LYS 55 4.436 6.854 20.370 448 HE2 LYS 55 HE2 LYS 55 2.233 7.888 20.255 449 HE3 LYS 55 HE1 LYS 55 2.428 8.525 21.889 450 HZ1 LYS 55 HZ1 LYS 55 4.305 9.831 21.102 451 HZ2 LYS 55 HZ2 LYS 55 2.901 10.208 20.247 452 HZ3 LYS 55 HZ3 LYS 55 4.090 9.238 19.535 453 H LEU 56 HN LEU 56 3.794 2.000 20.798 454 HA LEU 56 HA LEU 56 1.287 2.432 19.580 455 HB2 LEU 56 HB2 LEU 56 3.370 1.452 18.524 456 HB3 LEU 56 HB1 LEU 56 3.007 -0.052 19.340 457 HG LEU 56 HG LEU 56 1.061 1.213 17.402 458 HD11 LEU 56 HD11 LEU 56 3.184 0.898 16.231 459 HD12 LEU 56 HD12 LEU 56 1.968 -0.245 15.663 460 HD13 LEU 56 HD13 LEU 56 3.239 -0.785 16.762 461 HD21 LEU 56 HD21 LEU 56 1.426 -1.627 18.381 462 HD22 LEU 56 HD22 LEU 56 0.245 -1.100 17.179 463 HD23 LEU 56 HD23 LEU 56 0.130 -0.520 18.840 464 H ILE 57 HN ILE 57 2.383 0.089 21.997 465 HA ILE 57 HA ILE 57 0.106 -1.554 22.112 466 HB ILE 57 HB ILE 57 1.941 -0.753 24.392 467 HG12 ILE 57 HG12 ILE 57 2.041 -3.163 22.549 468 HG13 ILE 57 HG11 ILE 57 3.127 -1.779 22.477 469 HG21 ILE 57 HG21 ILE 57 -0.143 -1.704 25.227 470 HG22 ILE 57 HG22 ILE 57 1.193 -2.824 25.480 471 HG23 ILE 57 HG23 ILE 57 0.050 -3.100 24.166 472 HD11 ILE 57 HD11 ILE 57 4.173 -3.673 23.575 473 HD12 ILE 57 HD12 ILE 57 2.883 -3.709 24.777 474 HD13 ILE 57 HD13 ILE 57 3.976 -2.325 24.696 475 H ASN 58 HN ASN 58 0.848 1.476 23.785 476 HA ASN 58 HA ASN 58 -1.473 1.720 25.339 477 HB2 ASN 58 HB2 ASN 58 0.359 3.151 25.821 478 HB3 ASN 58 HB1 ASN 58 0.445 3.732 24.163 479 HD21 ASN 58 HD21 ASN 58 -0.975 5.316 23.475 480 HD22 ASN 58 HD22 ASN 58 -1.942 6.228 24.581 481 H ASP 59 HN ASP 59 -0.783 2.979 22.073 482 HA ASP 59 HA ASP 59 -3.315 4.224 21.757 483 HB2 ASP 59 HB2 ASP 59 -1.026 3.582 19.932 484 HB3 ASP 59 HB1 ASP 59 -2.548 4.161 19.254 485 H VAL 60 HN VAL 60 -2.065 1.088 20.603 486 HA VAL 60 HA VAL 60 -4.339 0.443 19.044 487 HB VAL 60 HB VAL 60 -2.123 -0.703 18.828 488 HG11 VAL 60 HG11 VAL 60 -2.982 -2.151 21.334 489 HG12 VAL 60 HG12 VAL 60 -1.599 -1.068 21.168 490 HG13 VAL 60 HG13 VAL 60 -1.623 -2.607 20.307 491 HG21 VAL 60 HG21 VAL 60 -4.497 -2.528 19.246 492 HG22 VAL 60 HG22 VAL 60 -3.049 -2.914 18.314 493 HG23 VAL 60 HG23 VAL 60 -4.126 -1.625 17.777 494 H ARG 61 HN ARG 61 -3.620 0.062 22.457 495 HA ARG 61 HA ARG 61 -5.571 -1.784 23.204 496 HB2 ARG 61 HB2 ARG 61 -3.825 -0.973 24.718 497 HB3 ARG 61 HB1 ARG 61 -4.565 0.622 24.745 498 HG2 ARG 61 HG2 ARG 61 -6.519 -0.268 25.878 499 HG3 ARG 61 HG1 ARG 61 -5.865 -1.905 25.768 500 HD2 ARG 61 HD2 ARG 61 -4.635 0.406 27.282 501 HD3 ARG 61 HD1 ARG 61 -5.495 -0.961 27.994 502 HE ARG 61 HE ARG 61 -3.585 -2.246 26.708 503 HH11 ARG 61 HH11 ARG 61 -3.350 0.605 28.642 504 HH12 ARG 61 HH12 ARG 61 -1.712 0.283 29.086 505 HH21 ARG 61 HH21 ARG 61 -1.506 -2.639 27.292 506 HH22 ARG 61 HH22 ARG 61 -0.669 -1.519 28.316 507 H LYS 62 HN LYS 62 -5.867 1.756 22.876 508 HA LYS 62 HA LYS 62 -8.715 1.650 23.488 509 HB2 LYS 62 HB2 LYS 62 -6.966 3.998 22.707 510 HB3 LYS 62 HB1 LYS 62 -8.629 4.103 23.272 511 HG2 LYS 62 HG2 LYS 62 -7.961 3.174 25.436 512 HG3 LYS 62 HG1 LYS 62 -6.293 3.054 24.870 513 HD2 LYS 62 HD2 LYS 62 -6.196 5.488 24.608 514 HD3 LYS 62 HD1 LYS 62 -7.878 5.621 25.129 515 HE2 LYS 62 HE2 LYS 62 -7.249 4.651 27.314 516 HE3 LYS 62 HE1 LYS 62 -5.566 4.598 26.790 517 HZ1 LYS 62 HZ1 LYS 62 -5.551 6.987 26.624 518 HZ2 LYS 62 HZ2 LYS 62 -6.076 6.538 28.169 519 HZ3 LYS 62 HZ3 LYS 62 -7.195 7.072 27.022 520 H LYS 63 HN LYS 63 -6.667 2.067 20.637 521 HA LYS 63 HA LYS 63 -9.051 2.657 19.012 522 HB2 LYS 63 HB2 LYS 63 -6.152 3.352 18.603 523 HB3 LYS 63 HB1 LYS 63 -7.315 3.436 17.286 524 HG2 LYS 63 HG2 LYS 63 -7.567 5.562 17.976 525 HG3 LYS 63 HG1 LYS 63 -8.648 4.845 19.164 526 HD2 LYS 63 HD2 LYS 63 -7.221 6.349 20.333 527 HD3 LYS 63 HD1 LYS 63 -6.674 4.720 20.731 528 HE2 LYS 63 HE2 LYS 63 -4.793 4.895 19.306 529 HE3 LYS 63 HE1 LYS 63 -5.436 6.330 18.507 530 HZ1 LYS 63 HZ1 LYS 63 -5.132 7.568 20.551 531 HZ2 LYS 63 HZ2 LYS 63 -3.671 6.889 20.051 532 HZ3 LYS 63 HZ3 LYS 63 -4.525 6.196 21.334 533 H THR 64 HN THR 64 -7.820 -0.097 19.784 534 HA THR 64 HA THR 64 -6.912 -1.335 17.419 535 HB THR 64 HB THR 64 -6.647 -2.487 19.529 536 HG1 THR 64 HG1 THR 64 -7.416 -4.548 18.883 537 HG21 THR 64 HG21 THR 64 -9.665 -2.688 19.608 538 HG22 THR 64 HG22 THR 64 -8.661 -1.703 20.672 539 HG23 THR 64 HG23 THR 64 -8.555 -3.462 20.737 540 H LYS 65 HN LYS 65 -8.020 -2.945 16.108 541 HA LYS 65 HA LYS 65 -10.221 -1.995 14.731 542 HB2 LYS 65 HB2 LYS 65 -10.384 -4.362 13.819 543 HB3 LYS 65 HB1 LYS 65 -8.817 -3.582 13.670 544 HG2 LYS 65 HG2 LYS 65 -8.124 -4.797 15.768 545 HG3 LYS 65 HG1 LYS 65 -9.625 -5.713 15.640 546 HD2 LYS 65 HD2 LYS 65 -7.536 -5.575 13.460 547 HD3 LYS 65 HD1 LYS 65 -7.604 -6.850 14.677 548 HE2 LYS 65 HE2 LYS 65 -9.811 -7.511 13.892 549 HE3 LYS 65 HE1 LYS 65 -9.812 -6.192 12.719 550 HZ1 LYS 65 HZ1 LYS 65 -9.209 -8.355 11.750 551 HZ2 LYS 65 HZ2 LYS 65 -7.839 -8.414 12.742 552 HZ3 LYS 65 HZ3 LYS 65 -7.984 -7.205 11.571 553 H ASN 66 HN ASN 66 -10.215 -4.585 17.188 554 HA ASN 66 HA ASN 66 -13.071 -4.011 17.677 555 HB2 ASN 66 HB2 ASN 66 -12.660 -6.215 16.498 556 HB3 ASN 66 HB1 ASN 66 -11.792 -6.749 17.931 557 HD21 ASN 66 HD21 ASN 66 -14.174 -7.852 16.741 558 HD22 ASN 66 HD22 ASN 66 -15.409 -7.779 17.947 559 H GLU 67 HN GLU 67 -13.462 -3.365 19.726 560 HA GLU 67 HA GLU 67 -11.518 -3.028 21.682 561 HB2 GLU 67 HB2 GLU 67 -13.623 -1.807 21.709 562 HB3 GLU 67 HB1 GLU 67 -14.518 -3.290 22.005 563 HG2 GLU 67 HG2 GLU 67 -14.331 -1.980 24.035 564 HG3 GLU 67 HG1 GLU 67 -13.462 -3.503 24.198 565 H GLU 68 HN GLU 68 -13.778 -5.733 21.255 566 HA GLU 68 HA GLU 68 -13.097 -7.174 23.580 567 HB2 GLU 68 HB2 GLU 68 -14.068 -8.213 20.907 568 HB3 GLU 68 HB1 GLU 68 -14.044 -9.135 22.403 569 HG2 GLU 68 HG2 GLU 68 -15.610 -7.482 23.394 570 HG3 GLU 68 HG1 GLU 68 -15.695 -6.679 21.826 571 H LEU 69 HN LEU 69 -11.625 -7.040 20.385 572 HA LEU 69 HA LEU 69 -9.903 -9.254 20.605 573 HB2 LEU 69 HB2 LEU 69 -10.431 -8.080 18.496 574 HB3 LEU 69 HB1 LEU 69 -9.497 -6.700 19.035 575 HG LEU 69 HG LEU 69 -8.135 -9.367 18.833 576 HD11 LEU 69 HD11 LEU 69 -9.310 -9.202 16.718 577 HD12 LEU 69 HD12 LEU 69 -7.589 -8.903 16.473 578 HD13 LEU 69 HD13 LEU 69 -8.724 -7.553 16.491 579 HD21 LEU 69 HD21 LEU 69 -6.210 -7.948 18.223 580 HD22 LEU 69 HD22 LEU 69 -6.888 -7.496 19.785 581 HD23 LEU 69 HD23 LEU 69 -7.233 -6.518 18.360 582 H ALA 70 HN ALA 70 -9.560 -5.913 21.714 583 HA ALA 70 HA ALA 70 -6.833 -5.857 22.298 584 HB1 ALA 70 HB1 ALA 70 -7.337 -4.058 23.849 585 HB2 ALA 70 HB2 ALA 70 -9.041 -4.517 23.861 586 HB3 ALA 70 HB3 ALA 70 -8.306 -3.893 22.385 587 H LYS 71 HN LYS 71 -9.489 -7.220 24.182 588 HA LYS 71 HA LYS 71 -7.965 -7.904 26.488 589 HB2 LYS 71 HB2 LYS 71 -10.541 -9.050 25.378 590 HB3 LYS 71 HB1 LYS 71 -9.841 -9.561 26.905 591 HG2 LYS 71 HG2 LYS 71 -11.581 -7.979 27.358 592 HG3 LYS 71 HG1 LYS 71 -10.033 -7.218 27.724 593 HD2 LYS 71 HD2 LYS 71 -10.099 -6.036 25.580 594 HD3 LYS 71 HD1 LYS 71 -11.633 -6.820 25.190 595 HE2 LYS 71 HE2 LYS 71 -11.157 -4.972 27.533 596 HE3 LYS 71 HE1 LYS 71 -11.935 -4.518 26.017 597 HZ1 LYS 71 HZ1 LYS 71 -13.690 -6.103 26.469 598 HZ2 LYS 71 HZ2 LYS 71 -13.547 -5.014 27.752 599 HZ3 LYS 71 HZ3 LYS 71 -12.939 -6.582 27.906 600 H ARG 72 HN ARG 72 -8.713 -9.582 23.482 601 HA ARG 72 HA ARG 72 -7.490 -12.070 24.177 602 HB2 ARG 72 HB2 ARG 72 -8.110 -10.959 21.430 603 HB3 ARG 72 HB1 ARG 72 -7.764 -12.642 21.814 604 HG2 ARG 72 HG2 ARG 72 -10.161 -11.036 22.692 605 HG3 ARG 72 HG1 ARG 72 -10.135 -12.369 21.536 606 HD2 ARG 72 HD2 ARG 72 -9.520 -13.928 23.285 607 HD3 ARG 72 HD1 ARG 72 -9.385 -12.614 24.454 608 HE ARG 72 HE ARG 72 -11.967 -13.089 23.162 609 HH11 ARG 72 HH11 ARG 72 -10.003 -13.215 25.995 610 HH12 ARG 72 HH12 ARG 72 -11.355 -13.436 27.051 611 HH21 ARG 72 HH21 ARG 72 -13.687 -13.351 24.532 612 HH22 ARG 72 HH22 ARG 72 -13.417 -13.505 26.232 613 H ALA 73 HN ALA 73 -6.366 -9.126 22.705 614 HA ALA 73 HA ALA 73 -4.083 -10.000 21.367 615 HB1 ALA 73 HB1 ALA 73 -3.370 -7.688 21.373 616 HB2 ALA 73 HB2 ALA 73 -4.476 -7.315 22.697 617 HB3 ALA 73 HB3 ALA 73 -5.114 -7.760 21.113 618 H LYS 74 HN LYS 74 -4.598 -9.401 24.772 619 HA LYS 74 HA LYS 74 -2.041 -8.936 25.697 620 HB2 LYS 74 HB2 LYS 74 -3.987 -8.814 27.140 621 HB3 LYS 74 HB1 LYS 74 -4.243 -10.549 26.998 622 HG2 LYS 74 HG2 LYS 74 -2.196 -10.997 28.207 623 HG3 LYS 74 HG1 LYS 74 -1.810 -9.275 28.252 624 HD2 LYS 74 HD2 LYS 74 -4.223 -10.559 29.549 625 HD3 LYS 74 HD1 LYS 74 -2.744 -10.090 30.388 626 HE2 LYS 74 HE2 LYS 74 -3.121 -7.755 29.790 627 HE3 LYS 74 HE1 LYS 74 -4.567 -8.206 28.887 628 HZ1 LYS 74 HZ1 LYS 74 -5.565 -8.973 30.948 629 HZ2 LYS 74 HZ2 LYS 74 -5.118 -7.349 31.065 630 HZ3 LYS 74 HZ3 LYS 74 -4.177 -8.536 31.812 631 H LYS 75 HN LYS 75 -3.495 -12.079 24.864 632 HA LYS 75 HA LYS 75 -1.466 -13.770 25.776 633 HB2 LYS 75 HB2 LYS 75 -3.458 -13.955 23.542 634 HB3 LYS 75 HB1 LYS 75 -2.177 -15.152 23.628 635 HG2 LYS 75 HG2 LYS 75 -4.057 -16.089 24.701 636 HG3 LYS 75 HG1 LYS 75 -2.917 -15.656 25.970 637 HD2 LYS 75 HD2 LYS 75 -4.218 -13.653 26.483 638 HD3 LYS 75 HD1 LYS 75 -5.329 -14.018 25.159 639 HE2 LYS 75 HE2 LYS 75 -5.946 -16.126 26.277 640 HE3 LYS 75 HE1 LYS 75 -4.863 -15.729 27.609 641 HZ1 LYS 75 HZ1 LYS 75 -7.123 -15.184 28.170 642 HZ2 LYS 75 HZ2 LYS 75 -7.281 -14.204 26.803 643 HZ3 LYS 75 HZ3 LYS 75 -6.220 -13.759 28.043 644 H LEU 76 HN LEU 76 -1.746 -12.097 22.644 645 HA LEU 76 HA LEU 76 0.728 -13.054 21.590 646 HB2 LEU 76 HB2 LEU 76 -0.983 -10.687 20.811 647 HB3 LEU 76 HB1 LEU 76 0.440 -11.189 19.922 648 HG LEU 76 HG LEU 76 -0.695 -13.413 19.529 649 HD11 LEU 76 HD11 LEU 76 -2.322 -13.359 21.331 650 HD12 LEU 76 HD12 LEU 76 -3.142 -13.492 19.776 651 HD13 LEU 76 HD13 LEU 76 -3.096 -11.943 20.620 652 HD21 LEU 76 HD21 LEU 76 -0.599 -11.659 17.820 653 HD22 LEU 76 HD22 LEU 76 -2.094 -10.963 18.447 654 HD23 LEU 76 HD23 LEU 76 -2.104 -12.573 17.727 655 H LEU 77 HN LEU 77 -0.230 -9.992 23.120 656 HA LEU 77 HA LEU 77 2.213 -8.648 22.897 657 HB2 LEU 77 HB2 LEU 77 -0.147 -8.381 24.716 658 HB3 LEU 77 HB1 LEU 77 1.304 -7.465 25.074 659 HG LEU 77 HG LEU 77 1.173 -6.333 22.916 660 HD11 LEU 77 HD11 LEU 77 -1.313 -7.978 22.442 661 HD12 LEU 77 HD12 LEU 77 0.205 -8.081 21.548 662 HD13 LEU 77 HD13 LEU 77 -0.780 -6.622 21.447 663 HD21 LEU 77 HD21 LEU 77 -1.448 -6.268 24.415 664 HD22 LEU 77 HD22 LEU 77 -0.863 -5.027 23.304 665 HD23 LEU 77 HD23 LEU 77 0.003 -5.342 24.807 666 H ARG 78 HN ARG 78 1.158 -11.022 25.285 667 HA ARG 78 HA ARG 78 3.137 -10.650 27.215 668 HB2 ARG 78 HB2 ARG 78 1.567 -13.062 26.355 669 HB3 ARG 78 HB1 ARG 78 2.832 -13.220 27.568 670 HG2 ARG 78 HG2 ARG 78 0.474 -11.344 27.765 671 HG3 ARG 78 HG1 ARG 78 0.595 -12.916 28.560 672 HD2 ARG 78 HD2 ARG 78 2.384 -12.190 29.937 673 HD3 ARG 78 HD1 ARG 78 2.640 -10.739 28.970 674 HE ARG 78 HE ARG 78 0.063 -10.945 30.292 675 HH11 ARG 78 HH11 ARG 78 3.311 -9.834 30.514 676 HH12 ARG 78 HH12 ARG 78 2.912 -8.520 31.568 677 HH21 ARG 78 HH21 ARG 78 -0.444 -9.260 31.677 678 HH22 ARG 78 HH22 ARG 78 0.812 -8.198 32.218 679 H SER 79 HN SER 79 3.374 -12.263 24.090 680 HA SER 79 HA SER 79 5.889 -13.480 24.436 681 HB2 SER 79 HB2 SER 79 4.696 -12.297 21.908 682 HB3 SER 79 HB1 SER 79 6.073 -13.394 21.965 683 HG SER 79 HG SER 79 3.797 -14.247 21.589 684 H TRP 80 HN TRP 80 4.986 -10.153 23.876 685 HA TRP 80 HA TRP 80 7.723 -9.247 23.446 686 HB2 TRP 80 HB2 TRP 80 5.323 -7.510 24.068 687 HB3 TRP 80 HB1 TRP 80 6.817 -7.037 23.275 688 HD1 TRP 80 HD1 TRP 80 6.027 -10.071 21.515 689 HE1 TRP 80 HE1 TRP 80 4.640 -9.619 19.399 690 HE3 TRP 80 HE3 TRP 80 4.536 -5.294 22.527 691 HZ2 TRP 80 HZ2 TRP 80 3.109 -7.517 18.300 692 HZ3 TRP 80 HZ3 TRP 80 3.117 -4.124 20.897 693 HH2 TRP 80 HH2 TRP 80 2.415 -5.216 18.821 694 H GLN 81 HN GLN 81 5.234 -9.064 25.939 695 HA GLN 81 HA GLN 81 6.477 -7.403 27.786 696 HB2 GLN 81 HB2 GLN 81 4.489 -9.620 28.309 697 HB3 GLN 81 HB1 GLN 81 4.900 -8.338 29.442 698 HG2 GLN 81 HG2 GLN 81 3.577 -7.997 26.752 699 HG3 GLN 81 HG1 GLN 81 2.808 -7.848 28.330 700 HE21 GLN 81 HE21 GLN 81 4.939 -6.343 26.030 701 HE22 GLN 81 HE22 GLN 81 4.956 -4.786 26.771 702 H LYS 82 HN LYS 82 7.409 -10.565 26.977 703 HA LYS 82 HA LYS 82 8.194 -11.703 29.387 704 HB2 LYS 82 HB2 LYS 82 9.782 -13.039 28.075 705 HB3 LYS 82 HB1 LYS 82 8.232 -12.914 27.253 706 HG2 LYS 82 HG2 LYS 82 9.062 -11.478 25.624 707 HG3 LYS 82 HG1 LYS 82 10.451 -11.011 26.603 708 HD2 LYS 82 HD2 LYS 82 11.133 -12.457 24.760 709 HD3 LYS 82 HD1 LYS 82 11.419 -13.239 26.312 710 HE2 LYS 82 HE2 LYS 82 9.400 -14.576 26.030 711 HE3 LYS 82 HE1 LYS 82 9.052 -13.754 24.508 712 HZ1 LYS 82 HZ1 LYS 82 10.101 -15.914 24.167 713 HZ2 LYS 82 HZ2 LYS 82 11.459 -15.413 25.042 714 HZ3 LYS 82 HZ3 LYS 82 11.073 -14.662 23.580 715 H LEU 83 HN LEU 83 9.599 -8.990 27.758 716 HA LEU 83 HA LEU 83 12.201 -9.188 28.906 717 HB2 LEU 83 HB2 LEU 83 12.300 -6.691 28.245 718 HB3 LEU 83 HB1 LEU 83 12.203 -7.913 26.995 719 HG LEU 83 HG LEU 83 9.686 -7.450 26.945 720 HD11 LEU 83 HD11 LEU 83 9.487 -6.251 29.046 721 HD12 LEU 83 HD12 LEU 83 8.960 -5.248 27.697 722 HD13 LEU 83 HD13 LEU 83 10.538 -4.976 28.434 723 HD21 LEU 83 HD21 LEU 83 9.952 -5.530 25.457 724 HD22 LEU 83 HD22 LEU 83 11.205 -6.737 25.176 725 HD23 LEU 83 HD23 LEU 83 11.583 -5.268 26.077 726 H ILE 84 HN ILE 84 9.180 -7.906 30.131 727 HA ILE 84 HA ILE 84 10.610 -6.894 32.515 728 HB ILE 84 HB ILE 84 8.442 -5.862 33.177 729 HG12 ILE 84 HG12 ILE 84 7.546 -6.707 30.403 730 HG13 ILE 84 HG11 ILE 84 6.951 -7.381 31.915 731 HG21 ILE 84 HG21 ILE 84 9.532 -5.035 30.489 732 HG22 ILE 84 HG22 ILE 84 10.128 -4.530 32.067 733 HG23 ILE 84 HG23 ILE 84 8.525 -4.032 31.530 734 HD11 ILE 84 HD11 ILE 84 6.607 -4.545 30.970 735 HD12 ILE 84 HD12 ILE 84 6.044 -5.181 32.517 736 HD13 ILE 84 HD13 ILE 84 5.372 -5.803 31.008 737 H GLU 85 HN GLU 85 8.471 -9.418 31.449 738 HA GLU 85 HA GLU 85 8.552 -10.640 34.108 739 HB2 GLU 85 HB2 GLU 85 5.988 -10.033 32.615 740 HB3 GLU 85 HB1 GLU 85 6.083 -11.239 33.892 741 HG2 GLU 85 HG2 GLU 85 6.765 -9.517 35.484 742 HG3 GLU 85 HG1 GLU 85 6.701 -8.303 34.207 743 HA PRO 86 HA PRO 86 9.906 -14.076 31.645 744 HB2 PRO 86 HB2 PRO 86 8.560 -15.632 33.827 745 HB3 PRO 86 HB1 PRO 86 10.168 -15.843 33.120 746 HG2 PRO 86 HG2 PRO 86 9.893 -14.653 35.478 747 HG3 PRO 86 HG1 PRO 86 11.067 -14.043 34.295 748 HD2 PRO 86 HD2 PRO 86 8.418 -12.917 35.089 749 HD3 PRO 86 HD1 PRO 86 9.900 -12.079 34.587 750 H ALA 87 HN ALA 87 8.712 -14.175 29.786 751 HA ALA 87 HA ALA 87 6.386 -15.966 29.814 752 HB1 ALA 87 HB1 ALA 87 5.446 -13.708 29.867 753 HB2 ALA 87 HB2 ALA 87 5.102 -14.502 28.329 754 HB3 ALA 87 HB3 ALA 87 6.373 -13.280 28.428 755 H HIS 88 HN HIS 88 7.954 -17.446 28.967 756 HA HIS 88 HA HIS 88 8.239 -17.279 26.056 757 HB2 HIS 88 HB2 HIS 88 10.643 -18.078 26.277 758 HB3 HIS 88 HB1 HIS 88 10.356 -16.403 26.734 759 HD1 HIS 88 HD1 HIS 88 11.353 -19.714 28.150 760 HD2 HIS 88 HD2 HIS 88 10.694 -15.827 29.462 761 HE1 HIS 88 HE1 HIS 88 12.271 -19.627 30.484 762 HE2 HIS 88 HE2 HIS 88 11.968 -17.237 31.215 763 H GLN 89 HN GLN 89 6.383 -18.780 27.056 764 HA GLN 89 HA GLN 89 7.153 -21.251 28.202 765 HB2 GLN 89 HB2 GLN 89 4.758 -21.881 27.859 766 HB3 GLN 89 HB1 GLN 89 5.001 -20.367 28.719 767 HG2 GLN 89 HG2 GLN 89 4.563 -19.143 26.612 768 HG3 GLN 89 HG1 GLN 89 4.224 -20.682 25.823 769 HE21 GLN 89 HE21 GLN 89 2.336 -21.801 26.376 770 HE22 GLN 89 HE22 GLN 89 1.029 -21.037 27.205 771 H HIS 90 HN HIS 90 6.030 -20.490 24.857 772 HA HIS 90 HA HIS 90 7.197 -23.070 24.029 773 HB2 HIS 90 HB2 HIS 90 4.764 -23.358 24.356 774 HB3 HIS 90 HB1 HIS 90 4.464 -22.083 23.180 775 HD1 HIS 90 HD1 HIS 90 4.638 -22.699 20.710 776 HD2 HIS 90 HD2 HIS 90 5.717 -25.795 23.256 777 HE1 HIS 90 HE1 HIS 90 4.810 -24.736 19.256 778 HE2 HIS 90 HE2 HIS 90 5.273 -26.619 20.850 779 H GLU 91 HN GLU 91 6.835 -19.743 23.349 780 HA GLU 91 HA GLU 91 7.230 -19.956 20.498 781 HB2 GLU 91 HB2 GLU 91 7.451 -17.430 20.645 782 HB3 GLU 91 HB1 GLU 91 5.920 -18.118 21.156 783 HG2 GLU 91 HG2 GLU 91 6.417 -16.434 22.709 784 HG3 GLU 91 HG1 GLU 91 6.761 -17.953 23.530 785 H ALA 92 HN ALA 92 9.308 -20.942 22.546 786 HA ALA 92 HA ALA 92 11.660 -19.386 21.958 787 HB1 ALA 92 HB1 ALA 92 11.434 -22.117 23.234 788 HB2 ALA 92 HB2 ALA 92 11.399 -20.577 24.096 789 HB3 ALA 92 HB3 ALA 92 12.859 -21.074 23.238 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 2.922 -3.126 -3.286 2 H2 MET 1 HT2 MET 1 2.862 -1.462 -3.000 3 H3 MET 1 HT3 MET 1 2.187 -2.535 -1.882 4 HA MET 1 HA MET 1 5.063 -2.303 -2.564 5 HB2 MET 1 HB2 MET 1 3.514 -1.479 -0.093 6 HB3 MET 1 HB1 MET 1 5.271 -1.508 -0.190 7 HG2 MET 1 HG2 MET 1 5.195 0.153 -1.989 8 HG3 MET 1 HG1 MET 1 3.436 0.185 -1.880 9 HE1 MET 1 HE1 MET 1 3.601 2.853 -1.638 10 HE2 MET 1 HE2 MET 1 5.363 2.772 -1.681 11 HE3 MET 1 HE3 MET 1 4.553 3.657 -0.390 12 H THR 2 HN THR 2 5.909 -3.147 0.024 13 HA THR 2 HA THR 2 6.165 -5.894 -0.360 14 HB THR 2 HB THR 2 7.012 -5.976 2.000 15 HG1 THR 2 HG1 THR 2 7.242 -3.683 2.874 16 HG21 THR 2 HG21 THR 2 8.929 -4.455 1.615 17 HG22 THR 2 HG22 THR 2 8.059 -3.726 0.265 18 HG23 THR 2 HG23 THR 2 8.542 -5.420 0.191 19 H ALA 3 HN ALA 3 5.350 -7.714 0.704 20 HA ALA 3 HA ALA 3 2.605 -7.433 1.709 21 HB1 ALA 3 HB1 ALA 3 2.387 -9.814 1.260 22 HB2 ALA 3 HB2 ALA 3 4.099 -9.912 0.847 23 HB3 ALA 3 HB3 ALA 3 2.999 -8.973 -0.163 24 H ALA 4 HN ALA 4 5.795 -8.334 2.742 25 HA ALA 4 HA ALA 4 4.774 -8.786 5.469 26 HB1 ALA 4 HB1 ALA 4 6.358 -10.607 5.810 27 HB2 ALA 4 HB2 ALA 4 6.926 -10.449 4.148 28 HB3 ALA 4 HB3 ALA 4 5.274 -10.977 4.469 29 HA PRO 5 HA PRO 5 7.714 -5.358 6.047 30 HB2 PRO 5 HB2 PRO 5 7.078 -6.076 8.880 31 HB3 PRO 5 HB1 PRO 5 7.110 -4.488 8.101 32 HG2 PRO 5 HG2 PRO 5 4.793 -5.684 8.628 33 HG3 PRO 5 HG1 PRO 5 5.022 -4.786 7.115 34 HD2 PRO 5 HD2 PRO 5 4.987 -7.740 7.583 35 HD3 PRO 5 HD1 PRO 5 4.378 -6.810 6.199 36 H ALA 6 HN ALA 6 7.796 -8.395 7.890 37 HA ALA 6 HA ALA 6 9.475 -9.793 8.493 38 HB1 ALA 6 HB1 ALA 6 11.292 -8.073 6.805 39 HB2 ALA 6 HB2 ALA 6 10.354 -9.448 6.223 40 HB3 ALA 6 HB3 ALA 6 11.639 -9.695 7.405 41 H SER 7 HN SER 7 10.939 -6.509 8.451 42 HA SER 7 HA SER 7 11.945 -7.000 11.166 43 HB2 SER 7 HB2 SER 7 13.620 -6.257 9.559 44 HB3 SER 7 HB1 SER 7 12.663 -4.822 9.188 45 HG SER 7 HG SER 7 14.425 -5.220 11.182 46 HA PRO 8 HA PRO 8 8.598 -4.632 12.963 47 HB2 PRO 8 HB2 PRO 8 10.640 -4.258 15.111 48 HB3 PRO 8 HB1 PRO 8 8.966 -4.811 15.229 49 HG2 PRO 8 HG2 PRO 8 10.942 -6.562 15.418 50 HG3 PRO 8 HG1 PRO 8 9.490 -6.962 14.477 51 HD2 PRO 8 HD2 PRO 8 12.197 -6.095 13.511 52 HD3 PRO 8 HD1 PRO 8 11.112 -7.341 12.856 53 H GLN 9 HN GLN 9 11.809 -3.315 12.476 54 HA GLN 9 HA GLN 9 11.511 -0.805 13.689 55 HB2 GLN 9 HB2 GLN 9 13.437 -0.129 12.288 56 HB3 GLN 9 HB1 GLN 9 13.679 -1.683 13.072 57 HG2 GLN 9 HG2 GLN 9 12.999 -2.774 10.922 58 HG3 GLN 9 HG1 GLN 9 12.999 -1.175 10.182 59 HE21 GLN 9 HE21 GLN 9 15.286 -2.288 12.607 60 HE22 GLN 9 HE22 GLN 9 16.668 -2.258 11.569 61 H GLN 10 HN GLN 10 10.848 -1.775 10.339 62 HA GLN 10 HA GLN 10 10.251 0.835 9.391 63 HB2 GLN 10 HB2 GLN 10 9.250 -0.380 7.431 64 HB3 GLN 10 HB1 GLN 10 10.919 -0.793 7.797 65 HG2 GLN 10 HG2 GLN 10 9.946 -2.774 9.100 66 HG3 GLN 10 HG1 GLN 10 8.444 -2.425 8.244 67 HE21 GLN 10 HE21 GLN 10 11.743 -3.465 7.927 68 HE22 GLN 10 HE22 GLN 10 11.602 -4.104 6.336 69 H ILE 11 HN ILE 11 8.336 -1.593 11.002 70 HA ILE 11 HA ILE 11 5.754 -0.760 10.260 71 HB ILE 11 HB ILE 11 6.629 -1.973 12.898 72 HG12 ILE 11 HG12 ILE 11 5.581 -3.294 10.373 73 HG13 ILE 11 HG11 ILE 11 7.248 -3.347 10.935 74 HG21 ILE 11 HG21 ILE 11 4.422 -0.972 13.090 75 HG22 ILE 11 HG22 ILE 11 4.282 -2.729 13.085 76 HG23 ILE 11 HG23 ILE 11 3.886 -1.810 11.632 77 HD11 ILE 11 HD11 ILE 11 6.542 -4.581 12.917 78 HD12 ILE 11 HD12 ILE 11 6.073 -5.411 11.434 79 HD13 ILE 11 HD13 ILE 11 4.868 -4.520 12.363 80 H ARG 12 HN ARG 12 7.975 0.475 12.714 81 HA ARG 12 HA ARG 12 6.273 2.173 14.138 82 HB2 ARG 12 HB2 ARG 12 8.599 1.717 14.795 83 HB3 ARG 12 HB1 ARG 12 9.181 2.610 13.396 84 HG2 ARG 12 HG2 ARG 12 8.099 4.654 14.323 85 HG3 ARG 12 HG1 ARG 12 7.686 3.728 15.769 86 HD2 ARG 12 HD2 ARG 12 10.078 3.285 16.150 87 HD3 ARG 12 HD1 ARG 12 10.473 4.241 14.721 88 HE ARG 12 HE ARG 12 8.957 5.583 16.806 89 HH11 ARG 12 HH11 ARG 12 12.021 5.051 15.316 90 HH12 ARG 12 HH12 ARG 12 12.750 6.418 16.082 91 HH21 ARG 12 HH21 ARG 12 9.917 7.354 17.768 92 HH22 ARG 12 HH22 ARG 12 11.573 7.711 17.433 93 H ASP 13 HN ASP 13 8.174 2.868 11.196 94 HA ASP 13 HA ASP 13 7.382 5.513 10.787 95 HB2 ASP 13 HB2 ASP 13 9.205 4.490 9.532 96 HB3 ASP 13 HB1 ASP 13 8.087 3.369 8.761 97 H ARG 14 HN ARG 14 5.899 2.504 9.635 98 HA ARG 14 HA ARG 14 3.780 3.653 8.173 99 HB2 ARG 14 HB2 ARG 14 4.586 1.254 8.083 100 HB3 ARG 14 HB1 ARG 14 3.737 0.980 9.596 101 HG2 ARG 14 HG2 ARG 14 1.612 1.487 8.536 102 HG3 ARG 14 HG1 ARG 14 2.436 1.881 7.025 103 HD2 ARG 14 HD2 ARG 14 3.345 -0.487 7.052 104 HD3 ARG 14 HD1 ARG 14 2.221 -0.810 8.373 105 HE ARG 14 HE ARG 14 0.767 0.298 6.268 106 HH11 ARG 14 HH11 ARG 14 2.525 -2.578 6.965 107 HH12 ARG 14 HH12 ARG 14 1.628 -3.538 5.846 108 HH21 ARG 14 HH21 ARG 14 -0.376 -0.926 4.821 109 HH22 ARG 14 HH22 ARG 14 0.009 -2.604 4.624 110 H LEU 15 HN LEU 15 4.107 2.837 11.584 111 HA LEU 15 HA LEU 15 1.384 3.204 12.322 112 HB2 LEU 15 HB2 LEU 15 3.301 2.027 13.590 113 HB3 LEU 15 HB1 LEU 15 3.754 3.625 14.145 114 HG LEU 15 HG LEU 15 1.069 2.318 14.677 115 HD11 LEU 15 HD11 LEU 15 1.883 1.983 16.951 116 HD12 LEU 15 HD12 LEU 15 3.458 2.636 16.495 117 HD13 LEU 15 HD13 LEU 15 2.889 1.123 15.786 118 HD21 LEU 15 HD21 LEU 15 0.828 4.095 16.377 119 HD22 LEU 15 HD22 LEU 15 0.908 4.739 14.738 120 HD23 LEU 15 HD23 LEU 15 2.318 4.834 15.794 121 H LEU 16 HN LEU 16 4.215 5.358 12.457 122 HA LEU 16 HA LEU 16 3.103 7.416 13.964 123 HB2 LEU 16 HB2 LEU 16 5.253 7.585 11.848 124 HB3 LEU 16 HB1 LEU 16 4.888 8.856 13.001 125 HG LEU 16 HG LEU 16 5.899 6.093 13.708 126 HD11 LEU 16 HD11 LEU 16 7.605 7.454 12.613 127 HD12 LEU 16 HD12 LEU 16 7.971 7.229 14.323 128 HD13 LEU 16 HD13 LEU 16 7.307 8.763 13.756 129 HD21 LEU 16 HD21 LEU 16 4.448 7.013 15.445 130 HD22 LEU 16 HD22 LEU 16 5.392 8.503 15.458 131 HD23 LEU 16 HD23 LEU 16 6.129 6.985 15.975 132 H GLN 17 HN GLN 17 3.005 6.980 10.449 133 HA GLN 17 HA GLN 17 1.921 9.575 9.929 134 HB2 GLN 17 HB2 GLN 17 1.599 8.734 7.620 135 HB3 GLN 17 HB1 GLN 17 3.225 8.472 8.228 136 HG2 GLN 17 HG2 GLN 17 2.761 6.486 7.148 137 HG3 GLN 17 HG1 GLN 17 2.385 6.101 8.825 138 HE21 GLN 17 HE21 GLN 17 0.985 4.441 8.250 139 HE22 GLN 17 HE22 GLN 17 -0.558 4.731 7.539 140 H ALA 18 HN ALA 18 0.506 6.720 11.097 141 HA ALA 18 HA ALA 18 -2.123 7.183 9.920 142 HB1 ALA 18 HB1 ALA 18 -1.276 4.901 10.105 143 HB2 ALA 18 HB2 ALA 18 -2.761 5.108 11.036 144 HB3 ALA 18 HB3 ALA 18 -1.201 5.067 11.859 145 H ILE 19 HN ILE 19 -0.464 7.967 12.852 146 HA ILE 19 HA ILE 19 -3.024 8.803 14.089 147 HB ILE 19 HB ILE 19 -2.053 8.457 16.298 148 HG12 ILE 19 HG12 ILE 19 0.348 7.272 14.871 149 HG13 ILE 19 HG11 ILE 19 0.324 8.863 15.621 150 HG21 ILE 19 HG21 ILE 19 -3.296 6.615 15.310 151 HG22 ILE 19 HG22 ILE 19 -1.971 5.993 16.296 152 HG23 ILE 19 HG23 ILE 19 -1.830 6.010 14.537 153 HD11 ILE 19 HD11 ILE 19 1.403 7.236 17.049 154 HD12 ILE 19 HD12 ILE 19 -0.051 6.238 17.043 155 HD13 ILE 19 HD13 ILE 19 -0.078 7.835 17.794 156 H ASP 20 HN ASP 20 -2.833 10.633 15.617 157 HA ASP 20 HA ASP 20 -0.941 12.663 14.745 158 HB2 ASP 20 HB2 ASP 20 -3.090 12.763 16.888 159 HB3 ASP 20 HB1 ASP 20 -2.163 14.140 16.299 160 HA PRO 21 HA PRO 21 2.347 12.127 17.633 161 HB2 PRO 21 HB2 PRO 21 1.825 14.942 18.524 162 HB3 PRO 21 HB1 PRO 21 3.351 14.173 18.064 163 HG2 PRO 21 HG2 PRO 21 2.115 15.787 16.361 164 HG3 PRO 21 HG1 PRO 21 2.867 14.287 15.782 165 HD2 PRO 21 HD2 PRO 21 -0.023 14.919 16.212 166 HD3 PRO 21 HD1 PRO 21 0.737 13.907 14.967 167 H GLN 22 HN GLN 22 -0.619 13.537 18.937 168 HA GLN 22 HA GLN 22 0.085 12.668 21.647 169 HB2 GLN 22 HB2 GLN 22 -1.229 14.908 20.762 170 HB3 GLN 22 HB1 GLN 22 -2.577 13.881 21.230 171 HG2 GLN 22 HG2 GLN 22 -0.249 14.435 23.061 172 HG3 GLN 22 HG1 GLN 22 -1.663 15.477 22.986 173 HE21 GLN 22 HE21 GLN 22 -3.604 13.418 22.677 174 HE22 GLN 22 HE22 GLN 22 -3.687 12.547 24.160 175 H SER 23 HN SER 23 -0.602 10.837 19.375 176 HA SER 23 HA SER 23 -1.511 8.784 19.124 177 HB2 SER 23 HB2 SER 23 -2.013 7.461 21.063 178 HB3 SER 23 HB1 SER 23 -0.646 8.495 21.458 179 HG SER 23 HG SER 23 -2.960 9.722 22.116 180 H ASN 24 HN ASN 24 -3.190 10.804 18.287 181 HA ASN 24 HA ASN 24 -5.874 9.969 19.179 182 HB2 ASN 24 HB2 ASN 24 -5.041 12.418 17.608 183 HB3 ASN 24 HB1 ASN 24 -6.693 12.027 18.082 184 HD21 ASN 24 HD21 ASN 24 -3.634 13.188 19.120 185 HD22 ASN 24 HD22 ASN 24 -4.115 13.668 20.705 186 H ILE 25 HN ILE 25 -7.561 9.707 17.585 187 HA ILE 25 HA ILE 25 -6.858 7.981 15.452 188 HB ILE 25 HB ILE 25 -9.487 9.413 15.933 189 HG12 ILE 25 HG12 ILE 25 -8.755 8.010 17.851 190 HG13 ILE 25 HG11 ILE 25 -10.214 7.394 17.084 191 HG21 ILE 25 HG21 ILE 25 -8.859 6.991 14.237 192 HG22 ILE 25 HG22 ILE 25 -9.359 8.581 13.660 193 HG23 ILE 25 HG23 ILE 25 -10.480 7.588 14.592 194 HD11 ILE 25 HD11 ILE 25 -8.700 5.597 17.668 195 HD12 ILE 25 HD12 ILE 25 -7.429 6.327 16.688 196 HD13 ILE 25 HD13 ILE 25 -8.891 5.707 15.919 197 H ARG 26 HN ARG 26 -5.716 8.777 13.728 198 HA ARG 26 HA ARG 26 -6.752 11.216 12.410 199 HB2 ARG 26 HB2 ARG 26 -4.209 10.728 13.216 200 HB3 ARG 26 HB1 ARG 26 -4.127 10.066 11.594 201 HG2 ARG 26 HG2 ARG 26 -4.922 12.887 12.313 202 HG3 ARG 26 HG1 ARG 26 -3.352 12.379 11.700 203 HD2 ARG 26 HD2 ARG 26 -4.394 13.210 9.812 204 HD3 ARG 26 HD1 ARG 26 -4.701 11.480 9.677 205 HE ARG 26 HE ARG 26 -6.830 12.760 11.036 206 HH11 ARG 26 HH11 ARG 26 -5.503 12.375 7.879 207 HH12 ARG 26 HH12 ARG 26 -7.015 12.662 7.094 208 HH21 ARG 26 HH21 ARG 26 -8.757 13.143 10.005 209 HH22 ARG 26 HH22 ARG 26 -8.835 13.075 8.276 210 H ASN 27 HN ASN 27 -5.514 7.932 11.730 211 HA ASN 27 HA ASN 27 -7.171 7.869 9.294 212 HB2 ASN 27 HB2 ASN 27 -4.765 8.446 8.781 213 HB3 ASN 27 HB1 ASN 27 -4.320 6.859 9.393 214 HD21 ASN 27 HD21 ASN 27 -4.095 8.083 6.718 215 HD22 ASN 27 HD22 ASN 27 -4.884 6.975 5.651 216 H MET 28 HN MET 28 -8.647 6.356 9.886 217 HA MET 28 HA MET 28 -8.160 4.218 11.658 218 HB2 MET 28 HB2 MET 28 -10.400 5.197 11.197 219 HB3 MET 28 HB1 MET 28 -10.378 4.442 9.610 220 HG2 MET 28 HG2 MET 28 -10.255 2.231 10.692 221 HG3 MET 28 HG1 MET 28 -10.343 3.016 12.266 222 HE1 MET 28 HE1 MET 28 -12.208 2.106 8.970 223 HE2 MET 28 HE2 MET 28 -12.278 3.867 8.908 224 HE3 MET 28 HE3 MET 28 -13.753 2.932 9.159 225 H VAL 29 HN VAL 29 -8.502 4.184 8.086 226 HA VAL 29 HA VAL 29 -8.225 1.393 7.817 227 HB VAL 29 HB VAL 29 -9.187 2.737 6.030 228 HG11 VAL 29 HG11 VAL 29 -7.794 4.727 6.203 229 HG12 VAL 29 HG12 VAL 29 -7.802 4.115 4.549 230 HG13 VAL 29 HG13 VAL 29 -6.406 3.829 5.590 231 HG21 VAL 29 HG21 VAL 29 -8.078 1.679 4.114 232 HG22 VAL 29 HG22 VAL 29 -8.264 0.550 5.456 233 HG23 VAL 29 HG23 VAL 29 -6.692 1.282 5.133 234 H ALA 30 HN ALA 30 -5.738 3.957 7.607 235 HA ALA 30 HA ALA 30 -3.575 2.269 6.941 236 HB1 ALA 30 HB1 ALA 30 -2.126 4.072 7.689 237 HB2 ALA 30 HB2 ALA 30 -3.477 4.839 8.525 238 HB3 ALA 30 HB3 ALA 30 -3.481 4.721 6.765 239 H VAL 31 HN VAL 31 -4.827 3.318 10.100 240 HA VAL 31 HA VAL 31 -3.035 1.963 11.764 241 HB VAL 31 HB VAL 31 -5.936 2.734 12.124 242 HG11 VAL 31 HG11 VAL 31 -5.587 0.703 13.457 243 HG12 VAL 31 HG12 VAL 31 -5.786 2.125 14.480 244 HG13 VAL 31 HG13 VAL 31 -4.179 1.446 14.216 245 HG21 VAL 31 HG21 VAL 31 -3.392 3.698 13.437 246 HG22 VAL 31 HG22 VAL 31 -5.013 4.336 13.714 247 HG23 VAL 31 HG23 VAL 31 -4.252 4.520 12.133 248 H LEU 32 HN LEU 32 -6.095 0.806 10.331 249 HA LEU 32 HA LEU 32 -6.166 -1.736 11.468 250 HB2 LEU 32 HB2 LEU 32 -7.116 -0.864 8.734 251 HB3 LEU 32 HB1 LEU 32 -7.529 -2.395 9.482 252 HG LEU 32 HG LEU 32 -8.284 0.337 10.543 253 HD11 LEU 32 HD11 LEU 32 -9.521 -0.238 8.525 254 HD12 LEU 32 HD12 LEU 32 -10.568 -0.295 9.942 255 HD13 LEU 32 HD13 LEU 32 -9.971 -1.793 9.228 256 HD21 LEU 32 HD21 LEU 32 -9.668 -0.914 12.146 257 HD22 LEU 32 HD22 LEU 32 -7.949 -1.240 12.358 258 HD23 LEU 32 HD23 LEU 32 -8.977 -2.426 11.551 259 H GLU 33 HN GLU 33 -4.370 -0.627 8.611 260 HA GLU 33 HA GLU 33 -3.441 -3.170 7.787 261 HB2 GLU 33 HB2 GLU 33 -2.112 -0.469 7.457 262 HB3 GLU 33 HB1 GLU 33 -1.620 -1.939 6.631 263 HG2 GLU 33 HG2 GLU 33 -4.037 -1.982 5.724 264 HG3 GLU 33 HG1 GLU 33 -4.095 -0.295 6.235 265 H VAL 34 HN VAL 34 -2.119 -0.809 10.097 266 HA VAL 34 HA VAL 34 0.299 -2.167 10.647 267 HB VAL 34 HB VAL 34 -1.290 -0.308 12.440 268 HG11 VAL 34 HG11 VAL 34 0.247 -1.618 13.787 269 HG12 VAL 34 HG12 VAL 34 0.853 0.031 13.641 270 HG13 VAL 34 HG13 VAL 34 1.574 -1.260 12.680 271 HG21 VAL 34 HG21 VAL 34 1.045 0.228 10.593 272 HG22 VAL 34 HG22 VAL 34 0.307 1.405 11.680 273 HG23 VAL 34 HG23 VAL 34 -0.626 0.739 10.341 274 H ILE 35 HN ILE 35 -2.824 -2.217 12.396 275 HA ILE 35 HA ILE 35 -2.098 -4.073 14.370 276 HB ILE 35 HB ILE 35 -4.772 -3.336 13.186 277 HG12 ILE 35 HG12 ILE 35 -5.157 -2.416 15.463 278 HG13 ILE 35 HG11 ILE 35 -3.553 -2.946 15.941 279 HG21 ILE 35 HG21 ILE 35 -4.986 -5.680 13.779 280 HG22 ILE 35 HG22 ILE 35 -5.868 -4.687 14.937 281 HG23 ILE 35 HG23 ILE 35 -4.302 -5.369 15.376 282 HD11 ILE 35 HD11 ILE 35 -2.559 -1.410 14.348 283 HD12 ILE 35 HD12 ILE 35 -3.619 -0.571 15.481 284 HD13 ILE 35 HD13 ILE 35 -4.167 -0.896 13.836 285 H SER 36 HN SER 36 -3.583 -4.641 11.168 286 HA SER 36 HA SER 36 -3.762 -7.435 11.297 287 HB2 SER 36 HB2 SER 36 -4.801 -6.202 9.472 288 HB3 SER 36 HB1 SER 36 -3.225 -5.669 8.887 289 HG SER 36 HG SER 36 -4.259 -8.319 8.921 290 H SER 37 HN SER 37 -1.046 -5.384 10.268 291 HA SER 37 HA SER 37 0.754 -7.439 9.571 292 HB2 SER 37 HB2 SER 37 1.363 -4.681 10.685 293 HB3 SER 37 HB1 SER 37 2.541 -5.750 9.925 294 HG SER 37 HG SER 37 0.245 -4.587 8.718 295 H LEU 38 HN LEU 38 0.152 -5.812 12.661 296 HA LEU 38 HA LEU 38 2.200 -7.057 14.147 297 HB2 LEU 38 HB2 LEU 38 -0.452 -5.939 15.075 298 HB3 LEU 38 HB1 LEU 38 0.892 -6.332 16.126 299 HG LEU 38 HG LEU 38 0.949 -4.221 13.967 300 HD11 LEU 38 HD11 LEU 38 -0.543 -3.629 15.821 301 HD12 LEU 38 HD12 LEU 38 0.888 -2.601 15.767 302 HD13 LEU 38 HD13 LEU 38 0.775 -3.895 16.962 303 HD21 LEU 38 HD21 LEU 38 3.142 -5.222 14.383 304 HD22 LEU 38 HD22 LEU 38 2.973 -4.889 16.107 305 HD23 LEU 38 HD23 LEU 38 3.075 -3.556 14.956 306 H GLU 39 HN GLU 39 -1.149 -8.013 13.491 307 HA GLU 39 HA GLU 39 -1.249 -10.190 15.302 308 HB2 GLU 39 HB2 GLU 39 -2.817 -9.647 12.775 309 HB3 GLU 39 HB1 GLU 39 -3.163 -10.979 13.870 310 HG2 GLU 39 HG2 GLU 39 -3.537 -9.322 15.684 311 HG3 GLU 39 HG1 GLU 39 -3.325 -8.034 14.496 312 H LYS 40 HN LYS 40 -0.318 -10.009 11.867 313 HA LYS 40 HA LYS 40 0.136 -12.899 11.793 314 HB2 LYS 40 HB2 LYS 40 0.591 -10.881 9.586 315 HB3 LYS 40 HB1 LYS 40 0.523 -12.630 9.420 316 HG2 LYS 40 HG2 LYS 40 -1.867 -12.483 10.258 317 HG3 LYS 40 HG1 LYS 40 -1.733 -10.739 10.043 318 HD2 LYS 40 HD2 LYS 40 -1.541 -12.882 7.923 319 HD3 LYS 40 HD1 LYS 40 -2.774 -11.635 8.083 320 HE2 LYS 40 HE2 LYS 40 -1.570 -10.464 6.599 321 HE3 LYS 40 HE1 LYS 40 -0.433 -10.171 7.912 322 HZ1 LYS 40 HZ1 LYS 40 0.786 -12.164 7.217 323 HZ2 LYS 40 HZ2 LYS 40 0.711 -11.017 5.978 324 HZ3 LYS 40 HZ3 LYS 40 -0.286 -12.381 5.928 325 H TYR 41 HN TYR 41 1.971 -10.031 12.278 326 HA TYR 41 HA TYR 41 4.467 -11.602 12.214 327 HB2 TYR 41 HB2 TYR 41 4.372 -8.700 11.360 328 HB3 TYR 41 HB1 TYR 41 5.686 -9.852 11.152 329 HD1 TYR 41 HD1 TYR 41 5.249 -11.850 9.542 330 HD2 TYR 41 HD2 TYR 41 2.845 -8.333 9.633 331 HE1 TYR 41 HE1 TYR 41 4.413 -12.364 7.287 332 HE2 TYR 41 HE2 TYR 41 2.006 -8.843 7.383 333 HH TYR 41 HH TYR 41 2.837 -10.176 5.358 334 HA PRO 42 HA PRO 42 3.974 -9.671 16.341 335 HB2 PRO 42 HB2 PRO 42 5.297 -11.578 17.738 336 HB3 PRO 42 HB1 PRO 42 3.623 -11.775 17.208 337 HG2 PRO 42 HG2 PRO 42 6.136 -12.850 15.972 338 HG3 PRO 42 HG1 PRO 42 4.581 -13.663 16.235 339 HD2 PRO 42 HD2 PRO 42 5.330 -12.616 13.829 340 HD3 PRO 42 HD1 PRO 42 3.637 -12.731 14.350 341 H ILE 43 HN ILE 43 5.282 -8.200 17.284 342 HA ILE 43 HA ILE 43 7.982 -7.846 16.358 343 HB ILE 43 HB ILE 43 6.413 -6.341 18.469 344 HG12 ILE 43 HG12 ILE 43 7.037 -5.661 15.576 345 HG13 ILE 43 HG11 ILE 43 5.466 -6.141 16.209 346 HG21 ILE 43 HG21 ILE 43 8.140 -4.598 18.278 347 HG22 ILE 43 HG22 ILE 43 9.069 -5.643 17.203 348 HG23 ILE 43 HG23 ILE 43 8.805 -6.116 18.882 349 HD11 ILE 43 HD11 ILE 43 5.406 -4.110 17.574 350 HD12 ILE 43 HD12 ILE 43 5.567 -3.750 15.855 351 HD13 ILE 43 HD13 ILE 43 6.971 -3.629 16.916 352 H THR 44 HN THR 44 9.818 -8.529 17.293 353 HA THR 44 HA THR 44 9.720 -10.119 19.713 354 HB THR 44 HB THR 44 12.143 -9.337 18.055 355 HG1 THR 44 HG1 THR 44 10.502 -10.550 16.890 356 HG21 THR 44 HG21 THR 44 12.737 -10.158 20.287 357 HG22 THR 44 HG22 THR 44 13.178 -11.333 19.049 358 HG23 THR 44 HG23 THR 44 11.740 -11.591 20.036 359 H LYS 45 HN LYS 45 11.259 -9.750 21.529 360 HA LYS 45 HA LYS 45 10.685 -7.313 22.743 361 HB2 LYS 45 HB2 LYS 45 12.292 -8.020 24.516 362 HB3 LYS 45 HB1 LYS 45 11.095 -9.235 24.099 363 HG2 LYS 45 HG2 LYS 45 12.666 -10.721 23.547 364 HG3 LYS 45 HG1 LYS 45 13.503 -9.562 22.517 365 HD2 LYS 45 HD2 LYS 45 13.785 -9.697 25.528 366 HD3 LYS 45 HD1 LYS 45 14.906 -10.434 24.383 367 HE2 LYS 45 HE2 LYS 45 15.318 -8.184 23.411 368 HE3 LYS 45 HE1 LYS 45 14.284 -7.489 24.656 369 HZ1 LYS 45 HZ1 LYS 45 16.608 -7.299 25.246 370 HZ2 LYS 45 HZ2 LYS 45 16.812 -8.972 25.128 371 HZ3 LYS 45 HZ3 LYS 45 15.817 -8.327 26.329 372 H GLU 46 HN GLU 46 13.750 -8.307 21.182 373 HA GLU 46 HA GLU 46 15.311 -6.177 22.149 374 HB2 GLU 46 HB2 GLU 46 16.090 -8.316 20.988 375 HB3 GLU 46 HB1 GLU 46 15.727 -7.511 19.469 376 HG2 GLU 46 HG2 GLU 46 18.069 -7.309 19.919 377 HG3 GLU 46 HG1 GLU 46 17.325 -5.719 20.078 378 H ALA 47 HN ALA 47 13.565 -6.484 19.051 379 HA ALA 47 HA ALA 47 14.157 -3.879 18.106 380 HB1 ALA 47 HB1 ALA 47 11.808 -5.648 17.417 381 HB2 ALA 47 HB2 ALA 47 13.387 -5.674 16.632 382 HB3 ALA 47 HB3 ALA 47 12.358 -4.247 16.496 383 H LEU 48 HN LEU 48 11.587 -5.146 20.155 384 HA LEU 48 HA LEU 48 9.808 -2.984 20.107 385 HB2 LEU 48 HB2 LEU 48 9.306 -5.176 21.101 386 HB3 LEU 48 HB1 LEU 48 10.467 -4.872 22.378 387 HG LEU 48 HG LEU 48 9.015 -2.877 23.041 388 HD11 LEU 48 HD11 LEU 48 6.679 -2.944 22.350 389 HD12 LEU 48 HD12 LEU 48 7.035 -4.275 21.248 390 HD13 LEU 48 HD13 LEU 48 7.748 -2.686 20.971 391 HD21 LEU 48 HD21 LEU 48 9.076 -4.941 24.335 392 HD22 LEU 48 HD22 LEU 48 7.855 -5.655 23.281 393 HD23 LEU 48 HD23 LEU 48 7.444 -4.274 24.298 394 H GLU 49 HN GLU 49 12.512 -3.631 22.325 395 HA GLU 49 HA GLU 49 12.245 -1.181 23.773 396 HB2 GLU 49 HB2 GLU 49 13.251 -3.141 24.796 397 HB3 GLU 49 HB1 GLU 49 14.522 -3.162 23.581 398 HG2 GLU 49 HG2 GLU 49 15.291 -0.955 24.419 399 HG3 GLU 49 HG1 GLU 49 14.083 -1.065 25.698 400 H GLU 50 HN GLU 50 14.468 -2.283 21.227 401 HA GLU 50 HA GLU 50 16.198 -0.063 21.300 402 HB2 GLU 50 HB2 GLU 50 16.724 -2.295 20.329 403 HB3 GLU 50 HB1 GLU 50 15.649 -1.944 18.988 404 HG2 GLU 50 HG2 GLU 50 18.006 -0.192 19.611 405 HG3 GLU 50 HG1 GLU 50 18.173 -1.659 18.653 406 H THR 51 HN THR 51 13.549 -0.798 19.016 407 HA THR 51 HA THR 51 13.899 1.747 17.667 408 HB THR 51 HB THR 51 11.695 -0.277 17.180 409 HG1 THR 51 HG1 THR 51 14.423 -0.386 16.627 410 HG21 THR 51 HG21 THR 51 11.732 0.636 14.894 411 HG22 THR 51 HG22 THR 51 12.996 1.772 15.364 412 HG23 THR 51 HG23 THR 51 11.387 1.900 16.074 413 H ARG 52 HN ARG 52 12.624 1.228 20.554 414 HA ARG 52 HA ARG 52 11.168 2.335 21.921 415 HB2 ARG 52 HB2 ARG 52 11.049 4.234 19.566 416 HB3 ARG 52 HB1 ARG 52 10.285 4.561 21.114 417 HG2 ARG 52 HG2 ARG 52 13.131 3.860 21.308 418 HG3 ARG 52 HG1 ARG 52 12.811 5.334 20.399 419 HD2 ARG 52 HD2 ARG 52 13.211 5.778 22.784 420 HD3 ARG 52 HD1 ARG 52 11.598 6.277 22.276 421 HE ARG 52 HE ARG 52 11.732 3.636 23.444 422 HH11 ARG 52 HH11 ARG 52 11.338 7.002 24.081 423 HH12 ARG 52 HH12 ARG 52 10.493 6.728 25.563 424 HH21 ARG 52 HH21 ARG 52 10.645 3.306 25.331 425 HH22 ARG 52 HH22 ARG 52 10.098 4.662 26.257 426 H LEU 53 HN LEU 53 10.215 0.239 20.128 427 HA LEU 53 HA LEU 53 7.611 0.950 19.154 428 HB2 LEU 53 HB2 LEU 53 8.870 -1.759 19.611 429 HB3 LEU 53 HB1 LEU 53 7.356 -1.487 18.768 430 HG LEU 53 HG LEU 53 10.051 -0.444 17.867 431 HD11 LEU 53 HD11 LEU 53 9.910 -2.875 17.681 432 HD12 LEU 53 HD12 LEU 53 9.898 -2.109 16.093 433 HD13 LEU 53 HD13 LEU 53 8.397 -2.726 16.786 434 HD21 LEU 53 HD21 LEU 53 8.858 0.113 15.783 435 HD22 LEU 53 HD22 LEU 53 8.231 1.008 17.166 436 HD23 LEU 53 HD23 LEU 53 7.338 -0.376 16.535 437 H GLY 54 HN GLY 54 8.731 0.375 22.268 438 HA2 GLY 54 HA2 GLY 54 6.607 -0.955 23.521 439 HA3 GLY 54 HA1 GLY 54 7.616 0.263 24.280 440 H LYS 55 HN LYS 55 6.874 2.368 22.430 441 HA LYS 55 HA LYS 55 4.633 3.518 23.633 442 HB2 LYS 55 HB2 LYS 55 6.342 4.735 22.292 443 HB3 LYS 55 HB1 LYS 55 5.702 3.994 20.834 444 HG2 LYS 55 HG2 LYS 55 4.850 6.203 20.937 445 HG3 LYS 55 HG1 LYS 55 3.514 5.115 21.322 446 HD2 LYS 55 HD2 LYS 55 3.815 5.562 23.703 447 HD3 LYS 55 HD1 LYS 55 5.197 6.603 23.349 448 HE2 LYS 55 HE2 LYS 55 3.685 8.081 22.038 449 HE3 LYS 55 HE1 LYS 55 2.325 7.069 22.525 450 HZ1 LYS 55 HZ1 LYS 55 4.078 8.650 24.324 451 HZ2 LYS 55 HZ2 LYS 55 2.854 7.611 24.846 452 HZ3 LYS 55 HZ3 LYS 55 2.465 8.983 23.939 453 H LEU 56 HN LEU 56 4.907 1.409 20.828 454 HA LEU 56 HA LEU 56 2.356 1.648 19.721 455 HB2 LEU 56 HB2 LEU 56 4.307 0.466 18.713 456 HB3 LEU 56 HB1 LEU 56 4.087 -0.836 19.859 457 HG LEU 56 HG LEU 56 1.914 -0.088 17.898 458 HD11 LEU 56 HD11 LEU 56 3.922 -0.524 16.589 459 HD12 LEU 56 HD12 LEU 56 2.772 -1.849 16.413 460 HD13 LEU 56 HD13 LEU 56 4.182 -2.037 17.457 461 HD21 LEU 56 HD21 LEU 56 2.558 -2.665 19.348 462 HD22 LEU 56 HD22 LEU 56 1.219 -2.420 18.228 463 HD23 LEU 56 HD23 LEU 56 1.257 -1.548 19.757 464 H ILE 57 HN ILE 57 3.465 -0.287 22.476 465 HA ILE 57 HA ILE 57 1.259 -1.994 22.748 466 HB ILE 57 HB ILE 57 3.007 -0.857 24.947 467 HG12 ILE 57 HG12 ILE 57 3.267 -3.437 23.373 468 HG13 ILE 57 HG11 ILE 57 4.285 -2.015 23.174 469 HG21 ILE 57 HG21 ILE 57 0.953 -1.825 25.843 470 HG22 ILE 57 HG22 ILE 57 2.343 -2.832 26.244 471 HG23 ILE 57 HG23 ILE 57 1.249 -3.316 24.948 472 HD11 ILE 57 HD11 ILE 57 5.401 -3.730 24.475 473 HD12 ILE 57 HD12 ILE 57 4.088 -3.714 25.652 474 HD13 ILE 57 HD13 ILE 57 5.113 -2.291 25.453 475 H ASN 58 HN ASN 58 1.843 1.204 24.176 476 HA ASN 58 HA ASN 58 -0.667 1.358 25.529 477 HB2 ASN 58 HB2 ASN 58 1.092 3.663 24.659 478 HB3 ASN 58 HB1 ASN 58 -0.112 3.671 25.944 479 HD21 ASN 58 HD21 ASN 58 3.062 2.678 25.007 480 HD22 ASN 58 HD22 ASN 58 3.603 2.230 26.580 481 H ASP 59 HN ASP 59 0.502 2.410 22.373 482 HA ASP 59 HA ASP 59 -1.688 4.128 21.822 483 HB2 ASP 59 HB2 ASP 59 0.636 4.265 20.836 484 HB3 ASP 59 HB1 ASP 59 0.200 2.904 19.805 485 H VAL 60 HN VAL 60 -0.930 0.801 20.745 486 HA VAL 60 HA VAL 60 -3.160 0.511 19.034 487 HB VAL 60 HB VAL 60 -1.165 -0.981 18.970 488 HG11 VAL 60 HG11 VAL 60 -0.861 -1.306 21.381 489 HG12 VAL 60 HG12 VAL 60 -0.972 -2.849 20.536 490 HG13 VAL 60 HG13 VAL 60 -2.355 -2.243 21.448 491 HG21 VAL 60 HG21 VAL 60 -2.404 -3.065 18.505 492 HG22 VAL 60 HG22 VAL 60 -3.206 -1.648 17.829 493 HG23 VAL 60 HG23 VAL 60 -3.823 -2.386 19.307 494 H ARG 61 HN ARG 61 -2.715 -0.030 22.473 495 HA ARG 61 HA ARG 61 -5.088 -1.357 23.101 496 HB2 ARG 61 HB2 ARG 61 -3.251 -0.988 24.700 497 HB3 ARG 61 HB1 ARG 61 -3.600 0.735 24.711 498 HG2 ARG 61 HG2 ARG 61 -5.802 0.281 25.697 499 HG3 ARG 61 HG1 ARG 61 -5.441 -1.449 25.694 500 HD2 ARG 61 HD2 ARG 61 -3.501 -1.022 27.158 501 HD3 ARG 61 HD1 ARG 61 -3.920 0.691 27.186 502 HE ARG 61 HE ARG 61 -6.170 -0.627 28.049 503 HH11 ARG 61 HH11 ARG 61 -2.890 -0.357 29.077 504 HH12 ARG 61 HH12 ARG 61 -3.274 -0.691 30.732 505 HH21 ARG 61 HH21 ARG 61 -6.640 -1.020 30.194 506 HH22 ARG 61 HH22 ARG 61 -5.356 -1.063 31.353 507 H LYS 62 HN LYS 62 -4.446 2.094 22.628 508 HA LYS 62 HA LYS 62 -7.215 2.806 23.172 509 HB2 LYS 62 HB2 LYS 62 -4.875 4.513 22.293 510 HB3 LYS 62 HB1 LYS 62 -6.464 5.125 22.742 511 HG2 LYS 62 HG2 LYS 62 -6.145 4.113 25.002 512 HG3 LYS 62 HG1 LYS 62 -4.499 3.694 24.529 513 HD2 LYS 62 HD2 LYS 62 -5.643 6.492 24.629 514 HD3 LYS 62 HD1 LYS 62 -4.589 5.771 25.845 515 HE2 LYS 62 HE2 LYS 62 -2.829 5.518 24.121 516 HE3 LYS 62 HE1 LYS 62 -3.885 6.324 22.959 517 HZ1 LYS 62 HZ1 LYS 62 -2.777 7.497 25.454 518 HZ2 LYS 62 HZ2 LYS 62 -3.890 8.270 24.446 519 HZ3 LYS 62 HZ3 LYS 62 -2.347 7.904 23.868 520 H LYS 63 HN LYS 63 -5.392 1.878 20.431 521 HA LYS 63 HA LYS 63 -7.424 2.982 18.598 522 HB2 LYS 63 HB2 LYS 63 -4.557 2.500 18.332 523 HB3 LYS 63 HB1 LYS 63 -5.463 1.773 17.013 524 HG2 LYS 63 HG2 LYS 63 -4.808 3.973 16.352 525 HG3 LYS 63 HG1 LYS 63 -6.553 3.970 16.609 526 HD2 LYS 63 HD2 LYS 63 -5.717 5.973 17.584 527 HD3 LYS 63 HD1 LYS 63 -6.109 4.887 18.918 528 HE2 LYS 63 HE2 LYS 63 -3.688 4.205 18.935 529 HE3 LYS 63 HE1 LYS 63 -3.388 5.503 17.782 530 HZ1 LYS 63 HZ1 LYS 63 -4.223 7.079 19.410 531 HZ2 LYS 63 HZ2 LYS 63 -2.907 6.206 20.016 532 HZ3 LYS 63 HZ3 LYS 63 -4.480 5.830 20.516 533 H THR 64 HN THR 64 -7.427 0.414 20.375 534 HA THR 64 HA THR 64 -7.493 -1.801 18.636 535 HB THR 64 HB THR 64 -7.350 -2.194 21.019 536 HG1 THR 64 HG1 THR 64 -9.732 -3.391 20.912 537 HG21 THR 64 HG21 THR 64 -10.157 -1.079 21.220 538 HG22 THR 64 HG22 THR 64 -8.695 -0.296 21.820 539 HG23 THR 64 HG23 THR 64 -9.238 -1.813 22.534 540 H LYS 65 HN LYS 65 -8.973 -2.524 17.228 541 HA LYS 65 HA LYS 65 -11.062 -0.878 16.342 542 HB2 LYS 65 HB2 LYS 65 -9.728 -2.866 15.202 543 HB3 LYS 65 HB1 LYS 65 -11.097 -3.820 15.746 544 HG2 LYS 65 HG2 LYS 65 -11.363 -1.346 14.043 545 HG3 LYS 65 HG1 LYS 65 -11.211 -2.971 13.381 546 HD2 LYS 65 HD2 LYS 65 -13.420 -2.015 15.216 547 HD3 LYS 65 HD1 LYS 65 -13.549 -2.215 13.468 548 HE2 LYS 65 HE2 LYS 65 -12.996 -4.631 13.769 549 HE3 LYS 65 HE1 LYS 65 -13.061 -4.384 15.513 550 HZ1 LYS 65 HZ1 LYS 65 -15.138 -5.258 14.732 551 HZ2 LYS 65 HZ2 LYS 65 -15.298 -4.020 13.594 552 HZ3 LYS 65 HZ3 LYS 65 -15.387 -3.665 15.244 553 H ASN 66 HN ASN 66 -11.123 -3.752 18.411 554 HA ASN 66 HA ASN 66 -13.931 -3.141 19.096 555 HB2 ASN 66 HB2 ASN 66 -13.819 -5.172 17.726 556 HB3 ASN 66 HB1 ASN 66 -12.665 -5.883 18.847 557 HD21 ASN 66 HD21 ASN 66 -14.090 -7.635 19.156 558 HD22 ASN 66 HD22 ASN 66 -15.510 -7.484 20.133 559 H GLU 67 HN GLU 67 -14.446 -3.027 21.206 560 HA GLU 67 HA GLU 67 -12.593 -2.662 23.231 561 HB2 GLU 67 HB2 GLU 67 -14.935 -1.922 23.336 562 HB3 GLU 67 HB1 GLU 67 -15.470 -3.589 23.461 563 HG2 GLU 67 HG2 GLU 67 -15.562 -2.523 25.619 564 HG3 GLU 67 HG1 GLU 67 -14.335 -3.790 25.626 565 H GLU 68 HN GLU 68 -14.292 -5.622 22.320 566 HA GLU 68 HA GLU 68 -13.349 -7.271 24.432 567 HB2 GLU 68 HB2 GLU 68 -14.258 -8.079 21.659 568 HB3 GLU 68 HB1 GLU 68 -14.171 -9.126 23.070 569 HG2 GLU 68 HG2 GLU 68 -15.948 -7.959 24.145 570 HG3 GLU 68 HG1 GLU 68 -15.925 -6.682 22.928 571 H LEU 69 HN LEU 69 -11.991 -6.338 21.358 572 HA LEU 69 HA LEU 69 -10.223 -8.464 20.893 573 HB2 LEU 69 HB2 LEU 69 -10.957 -6.557 19.342 574 HB3 LEU 69 HB1 LEU 69 -9.715 -5.593 20.108 575 HG LEU 69 HG LEU 69 -9.138 -8.181 18.646 576 HD11 LEU 69 HD11 LEU 69 -8.403 -6.794 16.768 577 HD12 LEU 69 HD12 LEU 69 -8.965 -5.348 17.609 578 HD13 LEU 69 HD13 LEU 69 -10.122 -6.577 17.094 579 HD21 LEU 69 HD21 LEU 69 -6.835 -7.309 18.564 580 HD22 LEU 69 HD22 LEU 69 -7.391 -7.544 20.219 581 HD23 LEU 69 HD23 LEU 69 -7.332 -5.921 19.532 582 H ALA 70 HN ALA 70 -9.801 -5.471 22.763 583 HA ALA 70 HA ALA 70 -7.042 -5.560 23.162 584 HB1 ALA 70 HB1 ALA 70 -8.473 -3.643 23.742 585 HB2 ALA 70 HB2 ALA 70 -7.403 -4.102 25.067 586 HB3 ALA 70 HB3 ALA 70 -9.109 -4.549 25.116 587 H LYS 71 HN LYS 71 -9.605 -7.189 24.981 588 HA LYS 71 HA LYS 71 -7.947 -8.168 27.070 589 HB2 LYS 71 HB2 LYS 71 -10.656 -9.074 26.073 590 HB3 LYS 71 HB1 LYS 71 -9.864 -9.777 27.474 591 HG2 LYS 71 HG2 LYS 71 -11.478 -8.154 28.210 592 HG3 LYS 71 HG1 LYS 71 -9.858 -7.552 28.557 593 HD2 LYS 71 HD2 LYS 71 -9.976 -6.158 26.504 594 HD3 LYS 71 HD1 LYS 71 -11.626 -6.722 26.245 595 HE2 LYS 71 HE2 LYS 71 -10.651 -5.173 28.648 596 HE3 LYS 71 HE1 LYS 71 -11.562 -4.505 27.295 597 HZ1 LYS 71 HZ1 LYS 71 -13.358 -6.077 27.864 598 HZ2 LYS 71 HZ2 LYS 71 -13.055 -4.938 29.070 599 HZ3 LYS 71 HZ3 LYS 71 -12.502 -6.525 29.252 600 H ARG 72 HN ARG 72 -8.947 -9.495 23.964 601 HA ARG 72 HA ARG 72 -7.743 -12.063 24.284 602 HB2 ARG 72 HB2 ARG 72 -8.534 -10.509 21.805 603 HB3 ARG 72 HB1 ARG 72 -8.049 -12.200 21.803 604 HG2 ARG 72 HG2 ARG 72 -9.983 -12.866 22.990 605 HG3 ARG 72 HG1 ARG 72 -10.376 -11.205 23.433 606 HD2 ARG 72 HD2 ARG 72 -11.834 -12.090 21.644 607 HD3 ARG 72 HD1 ARG 72 -10.921 -10.669 21.140 608 HE ARG 72 HE ARG 72 -9.497 -12.976 20.403 609 HH11 ARG 72 HH11 ARG 72 -12.419 -11.329 19.587 610 HH12 ARG 72 HH12 ARG 72 -12.370 -11.845 17.938 611 HH21 ARG 72 HH21 ARG 72 -9.460 -13.641 18.295 612 HH22 ARG 72 HH22 ARG 72 -10.720 -13.151 17.219 613 H ALA 73 HN ALA 73 -6.712 -9.057 22.728 614 HA ALA 73 HA ALA 73 -4.246 -9.910 21.696 615 HB1 ALA 73 HB1 ALA 73 -3.701 -7.543 21.505 616 HB2 ALA 73 HB2 ALA 73 -5.045 -7.133 22.573 617 HB3 ALA 73 HB3 ALA 73 -5.362 -7.850 20.994 618 H LYS 74 HN LYS 74 -5.156 -8.951 24.911 619 HA LYS 74 HA LYS 74 -2.823 -7.942 25.978 620 HB2 LYS 74 HB2 LYS 74 -5.014 -7.960 27.089 621 HB3 LYS 74 HB1 LYS 74 -4.887 -9.694 27.333 622 HG2 LYS 74 HG2 LYS 74 -2.963 -9.343 28.813 623 HG3 LYS 74 HG1 LYS 74 -3.093 -7.598 28.557 624 HD2 LYS 74 HD2 LYS 74 -5.350 -7.626 29.522 625 HD3 LYS 74 HD1 LYS 74 -5.228 -9.367 29.773 626 HE2 LYS 74 HE2 LYS 74 -3.319 -8.986 31.294 627 HE3 LYS 74 HE1 LYS 74 -3.504 -7.248 31.060 628 HZ1 LYS 74 HZ1 LYS 74 -5.499 -9.078 32.284 629 HZ2 LYS 74 HZ2 LYS 74 -5.762 -7.441 31.971 630 HZ3 LYS 74 HZ3 LYS 74 -4.576 -7.905 33.086 631 H LYS 75 HN LYS 75 -3.720 -11.374 25.643 632 HA LYS 75 HA LYS 75 -1.491 -12.439 27.013 633 HB2 LYS 75 HB2 LYS 75 -3.442 -13.543 25.031 634 HB3 LYS 75 HB1 LYS 75 -2.000 -14.477 25.406 635 HG2 LYS 75 HG2 LYS 75 -3.804 -15.227 26.795 636 HG3 LYS 75 HG1 LYS 75 -2.610 -14.407 27.800 637 HD2 LYS 75 HD2 LYS 75 -4.028 -12.367 27.737 638 HD3 LYS 75 HD1 LYS 75 -5.239 -13.275 26.829 639 HE2 LYS 75 HE2 LYS 75 -4.262 -13.877 29.623 640 HE3 LYS 75 HE1 LYS 75 -5.832 -13.204 29.186 641 HZ1 LYS 75 HZ1 LYS 75 -6.344 -15.262 28.020 642 HZ2 LYS 75 HZ2 LYS 75 -5.976 -15.570 29.638 643 HZ3 LYS 75 HZ3 LYS 75 -4.837 -15.907 28.439 644 H LEU 76 HN LEU 76 -1.906 -11.445 23.648 645 HA LEU 76 HA LEU 76 0.581 -12.438 22.694 646 HB2 LEU 76 HB2 LEU 76 -1.177 -10.186 21.705 647 HB3 LEU 76 HB1 LEU 76 0.288 -10.685 20.883 648 HG LEU 76 HG LEU 76 -0.719 -12.963 20.588 649 HD11 LEU 76 HD11 LEU 76 -2.337 -12.906 22.414 650 HD12 LEU 76 HD12 LEU 76 -3.127 -13.239 20.874 651 HD13 LEU 76 HD13 LEU 76 -3.235 -11.630 21.590 652 HD21 LEU 76 HD21 LEU 76 -0.750 -11.323 18.789 653 HD22 LEU 76 HD22 LEU 76 -2.256 -10.647 19.408 654 HD23 LEU 76 HD23 LEU 76 -2.225 -12.292 18.771 655 H LEU 77 HN LEU 77 -0.396 -9.333 24.092 656 HA LEU 77 HA LEU 77 2.007 -7.932 23.855 657 HB2 LEU 77 HB2 LEU 77 -0.254 -7.809 25.826 658 HB3 LEU 77 HB1 LEU 77 1.178 -6.832 26.086 659 HG LEU 77 HG LEU 77 0.825 -5.677 23.966 660 HD11 LEU 77 HD11 LEU 77 -1.640 -7.388 23.660 661 HD12 LEU 77 HD12 LEU 77 -0.183 -7.469 22.670 662 HD13 LEU 77 HD13 LEU 77 -1.192 -6.024 22.632 663 HD21 LEU 77 HD21 LEU 77 -1.640 -5.753 25.708 664 HD22 LEU 77 HD22 LEU 77 -1.258 -4.491 24.535 665 HD23 LEU 77 HD23 LEU 77 -0.216 -4.736 25.935 666 H ARG 78 HN ARG 78 1.078 -10.428 26.155 667 HA ARG 78 HA ARG 78 3.088 -10.155 28.054 668 HB2 ARG 78 HB2 ARG 78 1.656 -12.584 26.993 669 HB3 ARG 78 HB1 ARG 78 2.885 -12.729 28.240 670 HG2 ARG 78 HG2 ARG 78 0.323 -11.146 28.435 671 HG3 ARG 78 HG1 ARG 78 0.669 -12.689 29.218 672 HD2 ARG 78 HD2 ARG 78 2.730 -11.331 30.190 673 HD3 ARG 78 HD1 ARG 78 1.677 -9.954 29.865 674 HE ARG 78 HE ARG 78 0.180 -11.852 31.243 675 HH11 ARG 78 HH11 ARG 78 2.854 -9.749 31.807 676 HH12 ARG 78 HH12 ARG 78 2.600 -9.715 33.512 677 HH21 ARG 78 HH21 ARG 78 -0.102 -11.825 33.444 678 HH22 ARG 78 HH22 ARG 78 0.968 -10.885 34.430 679 H SER 79 HN SER 79 3.241 -11.735 24.871 680 HA SER 79 HA SER 79 5.812 -12.857 25.111 681 HB2 SER 79 HB2 SER 79 4.312 -13.431 23.252 682 HB3 SER 79 HB1 SER 79 4.456 -11.794 22.614 683 HG SER 79 HG SER 79 6.860 -12.381 22.657 684 H TRP 80 HN TRP 80 4.775 -9.596 24.484 685 HA TRP 80 HA TRP 80 7.409 -8.621 23.757 686 HB2 TRP 80 HB2 TRP 80 4.860 -7.130 24.448 687 HB3 TRP 80 HB1 TRP 80 6.318 -6.398 23.792 688 HD1 TRP 80 HD1 TRP 80 5.452 -9.685 22.170 689 HE1 TRP 80 HE1 TRP 80 4.452 -9.262 19.842 690 HE3 TRP 80 HE3 TRP 80 4.764 -4.635 22.485 691 HZ2 TRP 80 HZ2 TRP 80 3.485 -7.080 18.334 692 HZ3 TRP 80 HZ3 TRP 80 3.795 -3.449 20.564 693 HH2 TRP 80 HH2 TRP 80 3.165 -4.651 18.526 694 H GLN 81 HN GLN 81 5.342 -8.735 26.594 695 HA GLN 81 HA GLN 81 6.994 -7.119 28.286 696 HB2 GLN 81 HB2 GLN 81 4.830 -9.109 29.008 697 HB3 GLN 81 HB1 GLN 81 5.556 -7.951 30.115 698 HG2 GLN 81 HG2 GLN 81 3.896 -7.313 27.680 699 HG3 GLN 81 HG1 GLN 81 3.405 -7.152 29.364 700 HE21 GLN 81 HE21 GLN 81 5.346 -5.816 26.810 701 HE22 GLN 81 HE22 GLN 81 5.678 -4.309 27.580 702 H LYS 82 HN LYS 82 7.250 -10.300 27.164 703 HA LYS 82 HA LYS 82 8.225 -11.762 29.301 704 HB2 LYS 82 HB2 LYS 82 7.705 -13.039 27.463 705 HB3 LYS 82 HB1 LYS 82 8.416 -11.911 26.330 706 HG2 LYS 82 HG2 LYS 82 10.163 -13.579 28.114 707 HG3 LYS 82 HG1 LYS 82 9.470 -14.251 26.637 708 HD2 LYS 82 HD2 LYS 82 10.500 -12.339 25.374 709 HD3 LYS 82 HD1 LYS 82 11.311 -11.858 26.864 710 HE2 LYS 82 HE2 LYS 82 12.886 -13.122 25.633 711 HE3 LYS 82 HE1 LYS 82 12.315 -14.178 26.922 712 HZ1 LYS 82 HZ1 LYS 82 10.780 -15.184 25.306 713 HZ2 LYS 82 HZ2 LYS 82 12.398 -15.387 24.874 714 HZ3 LYS 82 HZ3 LYS 82 11.455 -14.232 24.084 715 H LEU 83 HN LEU 83 9.831 -9.168 27.681 716 HA LEU 83 HA LEU 83 12.497 -9.953 28.292 717 HB2 LEU 83 HB2 LEU 83 12.896 -7.362 28.066 718 HB3 LEU 83 HB1 LEU 83 12.566 -8.363 26.669 719 HG LEU 83 HG LEU 83 10.189 -7.622 26.737 720 HD11 LEU 83 HD11 LEU 83 9.557 -5.685 28.065 721 HD12 LEU 83 HD12 LEU 83 11.133 -5.696 28.856 722 HD13 LEU 83 HD13 LEU 83 10.015 -7.038 29.097 723 HD21 LEU 83 HD21 LEU 83 12.249 -5.423 26.528 724 HD22 LEU 83 HD22 LEU 83 10.608 -5.355 25.884 725 HD23 LEU 83 HD23 LEU 83 11.756 -6.529 25.244 726 H ILE 84 HN ILE 84 10.071 -8.153 30.145 727 HA ILE 84 HA ILE 84 12.001 -7.954 32.376 728 HB ILE 84 HB ILE 84 10.429 -6.343 33.407 729 HG12 ILE 84 HG12 ILE 84 8.949 -6.551 30.766 730 HG13 ILE 84 HG11 ILE 84 8.358 -7.123 32.321 731 HG21 ILE 84 HG21 ILE 84 10.941 -4.470 31.901 732 HG22 ILE 84 HG22 ILE 84 11.358 -5.616 30.627 733 HG23 ILE 84 HG23 ILE 84 12.322 -5.549 32.101 734 HD11 ILE 84 HD11 ILE 84 8.929 -4.259 31.601 735 HD12 ILE 84 HD12 ILE 84 8.327 -4.836 33.156 736 HD13 ILE 84 HD13 ILE 84 7.339 -5.014 31.706 737 H GLU 85 HN GLU 85 9.077 -9.536 31.399 738 HA GLU 85 HA GLU 85 8.600 -10.466 34.165 739 HB2 GLU 85 HB2 GLU 85 6.676 -10.272 31.834 740 HB3 GLU 85 HB1 GLU 85 6.288 -11.018 33.376 741 HG2 GLU 85 HG2 GLU 85 6.731 -8.823 34.475 742 HG3 GLU 85 HG1 GLU 85 6.926 -8.119 32.870 743 HA PRO 86 HA PRO 86 9.358 -14.677 32.805 744 HB2 PRO 86 HB2 PRO 86 7.385 -15.668 34.730 745 HB3 PRO 86 HB1 PRO 86 9.143 -15.827 34.757 746 HG2 PRO 86 HG2 PRO 86 7.784 -14.275 36.518 747 HG3 PRO 86 HG1 PRO 86 9.430 -13.892 35.974 748 HD2 PRO 86 HD2 PRO 86 6.809 -12.744 35.051 749 HD3 PRO 86 HD1 PRO 86 8.342 -11.912 35.402 750 H ALA 87 HN ALA 87 6.989 -13.069 31.650 751 HA ALA 87 HA ALA 87 4.935 -15.052 31.206 752 HB1 ALA 87 HB1 ALA 87 4.364 -12.677 31.446 753 HB2 ALA 87 HB2 ALA 87 3.830 -13.324 29.894 754 HB3 ALA 87 HB3 ALA 87 5.273 -12.312 29.979 755 H HIS 88 HN HIS 88 6.472 -16.632 30.244 756 HA HIS 88 HA HIS 88 7.400 -16.069 27.551 757 HB2 HIS 88 HB2 HIS 88 7.542 -18.574 29.247 758 HB3 HIS 88 HB1 HIS 88 8.232 -18.433 27.632 759 HD1 HIS 88 HD1 HIS 88 10.637 -17.809 27.617 760 HD2 HIS 88 HD2 HIS 88 8.698 -16.402 31.009 761 HE1 HIS 88 HE1 HIS 88 12.417 -16.734 29.015 762 HE2 HIS 88 HE2 HIS 88 11.229 -15.897 31.061 763 H GLN 89 HN GLN 89 5.650 -15.794 26.261 764 HA GLN 89 HA GLN 89 3.504 -17.814 26.300 765 HB2 GLN 89 HB2 GLN 89 2.901 -15.448 26.773 766 HB3 GLN 89 HB1 GLN 89 3.492 -14.998 25.182 767 HG2 GLN 89 HG2 GLN 89 1.129 -15.120 25.056 768 HG3 GLN 89 HG1 GLN 89 1.768 -16.516 24.191 769 HE21 GLN 89 HE21 GLN 89 -0.108 -17.708 24.421 770 HE22 GLN 89 HE22 GLN 89 -0.628 -18.352 25.938 771 H HIS 90 HN HIS 90 6.102 -16.694 24.341 772 HA HIS 90 HA HIS 90 4.804 -17.647 21.861 773 HB2 HIS 90 HB2 HIS 90 5.548 -15.292 21.875 774 HB3 HIS 90 HB1 HIS 90 7.195 -15.822 22.192 775 HD1 HIS 90 HD1 HIS 90 4.552 -16.498 19.524 776 HD2 HIS 90 HD2 HIS 90 8.652 -15.952 19.917 777 HE1 HIS 90 HE1 HIS 90 5.461 -16.554 17.190 778 HE2 HIS 90 HE2 HIS 90 7.916 -16.069 17.440 779 H GLU 91 HN GLU 91 7.324 -18.377 24.061 780 HA GLU 91 HA GLU 91 8.639 -20.174 22.130 781 HB2 GLU 91 HB2 GLU 91 10.531 -20.235 23.701 782 HB3 GLU 91 HB1 GLU 91 10.165 -18.597 23.185 783 HG2 GLU 91 HG2 GLU 91 8.976 -19.599 25.733 784 HG3 GLU 91 HG1 GLU 91 10.681 -19.163 25.704 785 H ALA 92 HN ALA 92 6.709 -20.119 24.999 786 HA ALA 92 HA ALA 92 7.361 -22.820 25.821 787 HB1 ALA 92 HB1 ALA 92 6.823 -21.131 27.500 788 HB2 ALA 92 HB2 ALA 92 5.688 -22.479 27.571 789 HB3 ALA 92 HB3 ALA 92 5.204 -20.957 26.821 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 3.473 -3.334 -0.671 2 H2 MET 1 HT2 MET 1 2.962 -2.999 -2.245 3 H3 MET 1 HT3 MET 1 2.874 -1.798 -1.058 4 HA MET 1 HA MET 1 4.718 -1.348 -2.483 5 HB2 MET 1 HB2 MET 1 5.727 -2.460 0.149 6 HB3 MET 1 HB1 MET 1 6.482 -1.198 -0.819 7 HG2 MET 1 HG2 MET 1 5.334 -0.248 1.094 8 HG3 MET 1 HG1 MET 1 4.566 0.265 -0.408 9 HE1 MET 1 HE1 MET 1 2.404 1.056 0.878 10 HE2 MET 1 HE2 MET 1 3.096 0.575 2.429 11 HE3 MET 1 HE3 MET 1 1.478 0.035 1.980 12 H THR 2 HN THR 2 5.662 -4.305 -0.684 13 HA THR 2 HA THR 2 6.670 -5.442 -3.218 14 HB THR 2 HB THR 2 8.457 -6.586 -1.936 15 HG1 THR 2 HG1 THR 2 8.856 -5.790 0.237 16 HG21 THR 2 HG21 THR 2 8.958 -4.452 -3.041 17 HG22 THR 2 HG22 THR 2 9.890 -4.636 -1.556 18 HG23 THR 2 HG23 THR 2 8.477 -3.582 -1.584 19 H ALA 3 HN ALA 3 6.297 -6.697 0.101 20 HA ALA 3 HA ALA 3 3.998 -8.248 -0.332 21 HB1 ALA 3 HB1 ALA 3 4.903 -10.499 -0.559 22 HB2 ALA 3 HB2 ALA 3 6.545 -9.857 -0.603 23 HB3 ALA 3 HB3 ALA 3 5.423 -9.497 -1.914 24 H ALA 4 HN ALA 4 7.185 -8.710 1.234 25 HA ALA 4 HA ALA 4 5.775 -9.077 3.807 26 HB1 ALA 4 HB1 ALA 4 8.270 -10.516 2.903 27 HB2 ALA 4 HB2 ALA 4 6.644 -11.200 2.939 28 HB3 ALA 4 HB3 ALA 4 7.436 -10.730 4.444 29 HA PRO 5 HA PRO 5 8.465 -5.482 4.869 30 HB2 PRO 5 HB2 PRO 5 6.729 -5.828 7.282 31 HB3 PRO 5 HB1 PRO 5 7.170 -4.350 6.416 32 HG2 PRO 5 HG2 PRO 5 4.744 -5.393 6.133 33 HG3 PRO 5 HG1 PRO 5 5.599 -4.712 4.734 34 HD2 PRO 5 HD2 PRO 5 5.199 -7.583 5.501 35 HD3 PRO 5 HD1 PRO 5 5.162 -6.833 3.891 36 H ALA 6 HN ALA 6 7.434 -8.149 6.994 37 HA ALA 6 HA ALA 6 8.578 -9.672 8.211 38 HB1 ALA 6 HB1 ALA 6 11.076 -8.547 6.949 39 HB2 ALA 6 HB2 ALA 6 10.070 -9.827 6.269 40 HB3 ALA 6 HB3 ALA 6 10.926 -10.091 7.790 41 H SER 7 HN SER 7 10.830 -6.862 8.296 42 HA SER 7 HA SER 7 11.312 -7.317 11.101 43 HB2 SER 7 HB2 SER 7 12.886 -5.433 10.940 44 HB3 SER 7 HB1 SER 7 13.142 -6.595 9.639 45 HG SER 7 HG SER 7 13.087 -4.763 8.534 46 HA PRO 8 HA PRO 8 7.807 -4.961 12.645 47 HB2 PRO 8 HB2 PRO 8 9.639 -4.915 15.015 48 HB3 PRO 8 HB1 PRO 8 7.921 -5.304 14.933 49 HG2 PRO 8 HG2 PRO 8 9.677 -7.258 15.151 50 HG3 PRO 8 HG1 PRO 8 8.318 -7.429 14.019 51 HD2 PRO 8 HD2 PRO 8 11.189 -6.774 13.453 52 HD3 PRO 8 HD1 PRO 8 10.072 -7.819 12.547 53 H GLN 9 HN GLN 9 11.107 -3.809 12.706 54 HA GLN 9 HA GLN 9 10.769 -1.392 14.064 55 HB2 GLN 9 HB2 GLN 9 12.867 -0.712 12.795 56 HB3 GLN 9 HB1 GLN 9 12.966 -2.161 13.784 57 HG2 GLN 9 HG2 GLN 9 12.624 -3.516 11.729 58 HG3 GLN 9 HG1 GLN 9 12.662 -2.027 10.784 59 HE21 GLN 9 HE21 GLN 9 14.663 -2.653 13.597 60 HE22 GLN 9 HE22 GLN 9 16.163 -2.702 12.737 61 H GLN 10 HN GLN 10 10.421 -2.071 10.603 62 HA GLN 10 HA GLN 10 10.047 0.634 9.803 63 HB2 GLN 10 HB2 GLN 10 9.306 -0.272 7.672 64 HB3 GLN 10 HB1 GLN 10 10.744 -1.112 8.232 65 HG2 GLN 10 HG2 GLN 10 9.071 -2.854 9.169 66 HG3 GLN 10 HG1 GLN 10 7.921 -2.098 8.069 67 HE21 GLN 10 HE21 GLN 10 10.816 -3.958 8.340 68 HE22 GLN 10 HE22 GLN 10 10.904 -4.454 6.693 69 H ILE 11 HN ILE 11 7.902 -1.739 11.158 70 HA ILE 11 HA ILE 11 5.440 -0.896 10.124 71 HB ILE 11 HB ILE 11 6.009 -2.187 12.804 72 HG12 ILE 11 HG12 ILE 11 5.224 -3.386 10.128 73 HG13 ILE 11 HG11 ILE 11 6.806 -3.513 10.890 74 HG21 ILE 11 HG21 ILE 11 3.802 -1.150 12.806 75 HG22 ILE 11 HG22 ILE 11 3.658 -2.905 12.768 76 HG23 ILE 11 HG23 ILE 11 3.397 -1.968 11.298 77 HD11 ILE 11 HD11 ILE 11 5.787 -4.775 12.737 78 HD12 ILE 11 HD12 ILE 11 5.571 -5.559 11.173 79 HD13 ILE 11 HD13 ILE 11 4.229 -4.686 11.912 80 H ARG 12 HN ARG 12 7.316 0.405 12.827 81 HA ARG 12 HA ARG 12 5.356 1.954 14.075 82 HB2 ARG 12 HB2 ARG 12 7.662 1.666 14.948 83 HB3 ARG 12 HB1 ARG 12 8.262 2.711 13.667 84 HG2 ARG 12 HG2 ARG 12 6.888 4.559 14.563 85 HG3 ARG 12 HG1 ARG 12 6.362 3.505 15.876 86 HD2 ARG 12 HD2 ARG 12 8.676 3.294 16.640 87 HD3 ARG 12 HD1 ARG 12 9.215 4.322 15.312 88 HE ARG 12 HE ARG 12 7.275 5.412 17.211 89 HH11 ARG 12 HH11 ARG 12 10.455 5.429 15.895 90 HH12 ARG 12 HH12 ARG 12 10.927 6.845 16.763 91 HH21 ARG 12 HH21 ARG 12 7.876 7.253 18.286 92 HH22 ARG 12 HH22 ARG 12 9.483 7.866 18.110 93 H ASP 13 HN ASP 13 7.198 2.601 11.124 94 HA ASP 13 HA ASP 13 6.543 5.274 10.676 95 HB2 ASP 13 HB2 ASP 13 8.134 3.838 9.338 96 HB3 ASP 13 HB1 ASP 13 6.735 3.115 8.554 97 H ARG 14 HN ARG 14 4.689 2.344 10.081 98 HA ARG 14 HA ARG 14 2.494 3.522 8.710 99 HB2 ARG 14 HB2 ARG 14 2.484 1.005 10.400 100 HB3 ARG 14 HB1 ARG 14 1.348 1.420 9.125 101 HG2 ARG 14 HG2 ARG 14 4.294 0.945 8.680 102 HG3 ARG 14 HG1 ARG 14 3.044 -0.284 8.477 103 HD2 ARG 14 HD2 ARG 14 3.072 2.344 6.988 104 HD3 ARG 14 HD1 ARG 14 3.778 0.856 6.359 105 HE ARG 14 HE ARG 14 1.375 -0.029 6.756 106 HH11 ARG 14 HH11 ARG 14 2.183 3.146 5.673 107 HH12 ARG 14 HH12 ARG 14 0.725 3.311 4.752 108 HH21 ARG 14 HH21 ARG 14 -0.463 0.186 5.565 109 HH22 ARG 14 HH22 ARG 14 -0.764 1.656 4.701 110 H LEU 15 HN LEU 15 3.283 3.064 12.103 111 HA LEU 15 HA LEU 15 0.731 3.723 13.175 112 HB2 LEU 15 HB2 LEU 15 2.987 2.684 14.231 113 HB3 LEU 15 HB1 LEU 15 3.186 4.346 14.747 114 HG LEU 15 HG LEU 15 0.941 2.455 15.470 115 HD11 LEU 15 HD11 LEU 15 1.738 2.834 17.758 116 HD12 LEU 15 HD12 LEU 15 3.041 3.844 17.131 117 HD13 LEU 15 HD13 LEU 15 2.984 2.127 16.728 118 HD21 LEU 15 HD21 LEU 15 1.185 5.383 16.163 119 HD22 LEU 15 HD22 LEU 15 -0.015 4.262 16.809 120 HD23 LEU 15 HD23 LEU 15 -0.019 4.664 15.092 121 H LEU 16 HN LEU 16 3.653 5.654 12.512 122 HA LEU 16 HA LEU 16 2.890 8.045 13.723 123 HB2 LEU 16 HB2 LEU 16 4.780 7.352 11.522 124 HB3 LEU 16 HB1 LEU 16 4.384 9.043 11.751 125 HG LEU 16 HG LEU 16 6.453 8.481 12.906 126 HD11 LEU 16 HD11 LEU 16 5.910 9.345 15.118 127 HD12 LEU 16 HD12 LEU 16 4.201 8.999 14.851 128 HD13 LEU 16 HD13 LEU 16 5.021 10.213 13.868 129 HD21 LEU 16 HD21 LEU 16 4.797 6.522 14.504 130 HD22 LEU 16 HD22 LEU 16 6.484 6.944 14.808 131 HD23 LEU 16 HD23 LEU 16 6.038 6.110 13.320 132 H GLN 17 HN GLN 17 2.095 6.903 10.459 133 HA GLN 17 HA GLN 17 0.889 9.364 9.638 134 HB2 GLN 17 HB2 GLN 17 0.013 8.086 7.731 135 HB3 GLN 17 HB1 GLN 17 1.725 7.773 7.984 136 HG2 GLN 17 HG2 GLN 17 1.299 5.634 8.906 137 HG3 GLN 17 HG1 GLN 17 -0.427 5.963 9.046 138 HE21 GLN 17 HE21 GLN 17 -0.922 4.110 7.865 139 HE22 GLN 17 HE22 GLN 17 -0.725 4.046 6.152 140 H ALA 18 HN ALA 18 -0.171 6.905 11.732 141 HA ALA 18 HA ALA 18 -2.999 7.173 11.085 142 HB1 ALA 18 HB1 ALA 18 -2.067 4.967 11.588 143 HB2 ALA 18 HB2 ALA 18 -3.340 5.411 12.725 144 HB3 ALA 18 HB3 ALA 18 -1.648 5.514 13.211 145 H ILE 19 HN ILE 19 -0.758 8.419 13.472 146 HA ILE 19 HA ILE 19 -2.972 9.843 14.787 147 HB ILE 19 HB ILE 19 -2.081 9.356 17.037 148 HG12 ILE 19 HG12 ILE 19 -0.318 7.330 15.628 149 HG13 ILE 19 HG11 ILE 19 0.246 8.834 16.348 150 HG21 ILE 19 HG21 ILE 19 -2.916 7.061 17.224 151 HG22 ILE 19 HG22 ILE 19 -2.833 6.883 15.472 152 HG23 ILE 19 HG23 ILE 19 -3.950 8.045 16.189 153 HD11 ILE 19 HD11 ILE 19 0.692 6.943 17.794 154 HD12 ILE 19 HD12 ILE 19 -1.023 6.537 17.824 155 HD13 ILE 19 HD13 ILE 19 -0.461 8.045 18.548 156 H ASP 20 HN ASP 20 -2.268 11.596 16.223 157 HA ASP 20 HA ASP 20 0.141 12.970 15.365 158 HB2 ASP 20 HB2 ASP 20 -2.098 13.657 17.273 159 HB3 ASP 20 HB1 ASP 20 -0.655 14.657 17.152 160 HA PRO 21 HA PRO 21 3.005 11.976 18.710 161 HB2 PRO 21 HB2 PRO 21 2.861 14.879 19.450 162 HB3 PRO 21 HB1 PRO 21 4.279 13.845 19.223 163 HG2 PRO 21 HG2 PRO 21 3.580 15.573 17.333 164 HG3 PRO 21 HG1 PRO 21 4.142 13.948 16.896 165 HD2 PRO 21 HD2 PRO 21 1.366 15.059 16.900 166 HD3 PRO 21 HD1 PRO 21 2.115 13.895 15.787 167 H GLN 22 HN GLN 22 0.120 13.868 19.442 168 HA GLN 22 HA GLN 22 0.177 13.220 22.273 169 HB2 GLN 22 HB2 GLN 22 -0.713 15.377 21.504 170 HB3 GLN 22 HB1 GLN 22 -1.958 14.551 20.584 171 HG2 GLN 22 HG2 GLN 22 -2.802 15.512 22.681 172 HG3 GLN 22 HG1 GLN 22 -3.006 13.763 22.608 173 HE21 GLN 22 HE21 GLN 22 -1.805 12.464 23.985 174 HE22 GLN 22 HE22 GLN 22 -0.946 13.093 25.346 175 H SER 23 HN SER 23 -0.316 11.298 19.775 176 HA SER 23 HA SER 23 -1.132 9.192 19.557 177 HB2 SER 23 HB2 SER 23 -1.870 9.496 22.477 178 HB3 SER 23 HB1 SER 23 -1.849 7.976 21.581 179 HG SER 23 HG SER 23 0.334 9.658 22.259 180 H ASN 24 HN ASN 24 -2.982 11.553 19.138 181 HA ASN 24 HA ASN 24 -5.566 10.197 19.544 182 HB2 ASN 24 HB2 ASN 24 -6.577 12.403 18.911 183 HB3 ASN 24 HB1 ASN 24 -5.601 12.442 20.375 184 HD21 ASN 24 HD21 ASN 24 -3.650 13.525 20.357 185 HD22 ASN 24 HD22 ASN 24 -3.222 14.644 19.109 186 H ILE 25 HN ILE 25 -7.159 10.270 17.777 187 HA ILE 25 HA ILE 25 -6.180 8.884 15.553 188 HB ILE 25 HB ILE 25 -8.858 10.225 15.965 189 HG12 ILE 25 HG12 ILE 25 -8.252 8.411 17.568 190 HG13 ILE 25 HG11 ILE 25 -9.653 8.019 16.577 191 HG21 ILE 25 HG21 ILE 25 -8.076 8.221 13.839 192 HG22 ILE 25 HG22 ILE 25 -8.477 9.918 13.574 193 HG23 ILE 25 HG23 ILE 25 -9.712 8.803 14.155 194 HD11 ILE 25 HD11 ILE 25 -6.848 7.026 16.117 195 HD12 ILE 25 HD12 ILE 25 -8.269 6.607 15.161 196 HD13 ILE 25 HD13 ILE 25 -8.167 6.113 16.849 197 H ARG 26 HN ARG 26 -5.090 9.616 13.840 198 HA ARG 26 HA ARG 26 -5.909 12.173 12.602 199 HB2 ARG 26 HB2 ARG 26 -3.316 10.711 12.737 200 HB3 ARG 26 HB1 ARG 26 -3.671 11.542 11.230 201 HG2 ARG 26 HG2 ARG 26 -3.671 12.836 13.954 202 HG3 ARG 26 HG1 ARG 26 -2.346 12.910 12.788 203 HD2 ARG 26 HD2 ARG 26 -3.883 13.967 11.161 204 HD3 ARG 26 HD1 ARG 26 -5.152 13.959 12.386 205 HE ARG 26 HE ARG 26 -2.917 15.281 13.431 206 HH11 ARG 26 HH11 ARG 26 -5.318 15.672 11.001 207 HH12 ARG 26 HH12 ARG 26 -5.253 17.398 11.045 208 HH21 ARG 26 HH21 ARG 26 -2.832 17.508 13.488 209 HH22 ARG 26 HH22 ARG 26 -3.847 18.433 12.434 210 H ASN 27 HN ASN 27 -5.152 8.784 11.868 211 HA ASN 27 HA ASN 27 -6.968 8.930 9.560 212 HB2 ASN 27 HB2 ASN 27 -4.154 7.824 9.555 213 HB3 ASN 27 HB1 ASN 27 -5.346 7.371 8.342 214 HD21 ASN 27 HD21 ASN 27 -2.787 8.877 8.157 215 HD22 ASN 27 HD22 ASN 27 -3.204 10.357 7.368 216 H MET 28 HN MET 28 -8.595 7.624 10.151 217 HA MET 28 HA MET 28 -8.397 5.494 11.995 218 HB2 MET 28 HB2 MET 28 -10.497 6.669 11.570 219 HB3 MET 28 HB1 MET 28 -10.523 6.073 9.917 220 HG2 MET 28 HG2 MET 28 -10.769 3.785 10.740 221 HG3 MET 28 HG1 MET 28 -10.728 4.375 12.401 222 HE1 MET 28 HE1 MET 28 -14.481 3.277 11.862 223 HE2 MET 28 HE2 MET 28 -13.045 3.072 12.864 224 HE3 MET 28 HE3 MET 28 -13.038 2.514 11.190 225 H VAL 29 HN VAL 29 -8.470 5.511 8.438 226 HA VAL 29 HA VAL 29 -8.488 2.722 8.044 227 HB VAL 29 HB VAL 29 -7.289 4.854 6.251 228 HG11 VAL 29 HG11 VAL 29 -7.606 3.229 4.434 229 HG12 VAL 29 HG12 VAL 29 -8.154 2.027 5.603 230 HG13 VAL 29 HG13 VAL 29 -6.493 2.618 5.659 231 HG21 VAL 29 HG21 VAL 29 -9.638 5.296 6.729 232 HG22 VAL 29 HG22 VAL 29 -10.060 3.641 6.287 233 HG23 VAL 29 HG23 VAL 29 -9.448 4.753 5.061 234 H ALA 30 HN ALA 30 -5.799 5.006 8.421 235 HA ALA 30 HA ALA 30 -3.685 3.272 7.813 236 HB1 ALA 30 HB1 ALA 30 -2.255 4.842 9.022 237 HB2 ALA 30 HB2 ALA 30 -3.677 5.601 9.734 238 HB3 ALA 30 HB3 ALA 30 -3.407 5.694 7.994 239 H VAL 31 HN VAL 31 -5.310 3.902 10.914 240 HA VAL 31 HA VAL 31 -3.780 2.216 12.543 241 HB VAL 31 HB VAL 31 -6.706 2.979 12.679 242 HG11 VAL 31 HG11 VAL 31 -6.477 0.810 13.772 243 HG12 VAL 31 HG12 VAL 31 -6.724 2.080 14.971 244 HG13 VAL 31 HG13 VAL 31 -5.113 1.414 14.713 245 HG21 VAL 31 HG21 VAL 31 -5.971 4.384 14.540 246 HG22 VAL 31 HG22 VAL 31 -5.076 4.772 13.070 247 HG23 VAL 31 HG23 VAL 31 -4.317 3.804 14.337 248 H LEU 32 HN LEU 32 -6.725 1.473 10.669 249 HA LEU 32 HA LEU 32 -6.966 -1.222 11.352 250 HB2 LEU 32 HB2 LEU 32 -7.644 -0.017 8.665 251 HB3 LEU 32 HB1 LEU 32 -8.330 -1.471 9.368 252 HG LEU 32 HG LEU 32 -8.758 1.375 10.287 253 HD11 LEU 32 HD11 LEU 32 -10.065 0.725 8.344 254 HD12 LEU 32 HD12 LEU 32 -11.096 0.927 9.759 255 HD13 LEU 32 HD13 LEU 32 -10.669 -0.691 9.205 256 HD21 LEU 32 HD21 LEU 32 -9.718 -1.181 11.579 257 HD22 LEU 32 HD22 LEU 32 -10.233 0.447 12.021 258 HD23 LEU 32 HD23 LEU 32 -8.555 -0.041 12.254 259 H GLU 33 HN GLU 33 -4.945 0.317 8.905 260 HA GLU 33 HA GLU 33 -3.967 -2.024 7.658 261 HB2 GLU 33 HB2 GLU 33 -2.580 0.645 8.018 262 HB3 GLU 33 HB1 GLU 33 -2.110 -0.607 6.876 263 HG2 GLU 33 HG2 GLU 33 -4.277 -0.342 5.727 264 HG3 GLU 33 HG1 GLU 33 -4.691 0.954 6.848 265 H VAL 34 HN VAL 34 -2.686 -0.108 10.379 266 HA VAL 34 HA VAL 34 -0.346 -1.596 10.824 267 HB VAL 34 HB VAL 34 -1.989 -0.109 12.891 268 HG11 VAL 34 HG11 VAL 34 -0.338 -1.598 13.906 269 HG12 VAL 34 HG12 VAL 34 0.120 0.091 14.126 270 HG13 VAL 34 HG13 VAL 34 0.931 -0.891 12.905 271 HG21 VAL 34 HG21 VAL 34 -1.426 1.337 11.008 272 HG22 VAL 34 HG22 VAL 34 0.271 0.875 11.139 273 HG23 VAL 34 HG23 VAL 34 -0.496 1.791 12.436 274 H ILE 35 HN ILE 35 -3.548 -1.913 12.402 275 HA ILE 35 HA ILE 35 -2.885 -4.040 14.106 276 HB ILE 35 HB ILE 35 -5.520 -3.141 12.950 277 HG12 ILE 35 HG12 ILE 35 -5.990 -2.592 15.342 278 HG13 ILE 35 HG11 ILE 35 -4.374 -3.135 15.761 279 HG21 ILE 35 HG21 ILE 35 -5.744 -5.545 13.182 280 HG22 ILE 35 HG22 ILE 35 -6.675 -4.731 14.441 281 HG23 ILE 35 HG23 ILE 35 -5.120 -5.470 14.831 282 HD11 ILE 35 HD11 ILE 35 -5.046 -0.818 13.975 283 HD12 ILE 35 HD12 ILE 35 -3.420 -1.359 14.397 284 HD13 ILE 35 HD13 ILE 35 -4.492 -0.727 15.648 285 H SER 36 HN SER 36 -4.236 -4.137 10.794 286 HA SER 36 HA SER 36 -4.442 -6.972 10.681 287 HB2 SER 36 HB2 SER 36 -4.776 -6.683 8.265 288 HB3 SER 36 HB1 SER 36 -5.732 -5.513 9.172 289 HG SER 36 HG SER 36 -3.437 -5.116 7.594 290 H SER 37 HN SER 37 -1.862 -4.715 9.765 291 HA SER 37 HA SER 37 -0.179 -6.672 8.570 292 HB2 SER 37 HB2 SER 37 1.636 -5.030 8.793 293 HB3 SER 37 HB1 SER 37 0.175 -4.274 8.166 294 HG SER 37 HG SER 37 0.463 -4.208 10.923 295 H LEU 38 HN LEU 38 -0.565 -5.546 11.900 296 HA LEU 38 HA LEU 38 1.746 -6.807 12.958 297 HB2 LEU 38 HB2 LEU 38 -0.815 -5.887 14.258 298 HB3 LEU 38 HB1 LEU 38 0.515 -6.576 15.171 299 HG LEU 38 HG LEU 38 0.646 -4.045 13.516 300 HD11 LEU 38 HD11 LEU 38 0.860 -2.907 15.676 301 HD12 LEU 38 HD12 LEU 38 0.621 -4.442 16.511 302 HD13 LEU 38 HD13 LEU 38 -0.680 -3.754 15.539 303 HD21 LEU 38 HD21 LEU 38 2.784 -5.214 13.524 304 HD22 LEU 38 HD22 LEU 38 2.729 -5.341 15.282 305 HD23 LEU 38 HD23 LEU 38 2.870 -3.758 14.515 306 H GLU 39 HN GLU 39 -1.447 -8.033 12.227 307 HA GLU 39 HA GLU 39 -1.343 -10.384 13.798 308 HB2 GLU 39 HB2 GLU 39 -2.785 -9.892 11.182 309 HB3 GLU 39 HB1 GLU 39 -3.055 -11.273 12.236 310 HG2 GLU 39 HG2 GLU 39 -3.682 -9.612 14.043 311 HG3 GLU 39 HG1 GLU 39 -3.675 -8.381 12.779 312 H LYS 40 HN LYS 40 -0.160 -9.666 10.544 313 HA LYS 40 HA LYS 40 0.835 -12.411 10.254 314 HB2 LYS 40 HB2 LYS 40 0.702 -10.113 8.293 315 HB3 LYS 40 HB1 LYS 40 1.377 -11.693 7.916 316 HG2 LYS 40 HG2 LYS 40 -1.479 -11.125 8.713 317 HG3 LYS 40 HG1 LYS 40 -0.902 -11.478 7.084 318 HD2 LYS 40 HD2 LYS 40 -0.558 -13.390 9.396 319 HD3 LYS 40 HD1 LYS 40 -1.969 -13.410 8.343 320 HE2 LYS 40 HE2 LYS 40 -0.379 -15.079 7.614 321 HE3 LYS 40 HE1 LYS 40 -0.495 -13.803 6.405 322 HZ1 LYS 40 HZ1 LYS 40 1.583 -12.911 7.114 323 HZ2 LYS 40 HZ2 LYS 40 1.802 -14.569 6.882 324 HZ3 LYS 40 HZ3 LYS 40 1.658 -13.951 8.445 325 H TYR 41 HN TYR 41 1.948 -9.251 11.023 326 HA TYR 41 HA TYR 41 4.702 -10.258 11.209 327 HB2 TYR 41 HB2 TYR 41 4.048 -7.479 10.175 328 HB3 TYR 41 HB1 TYR 41 5.642 -8.216 10.303 329 HD1 TYR 41 HD1 TYR 41 2.634 -7.907 8.291 330 HD2 TYR 41 HD2 TYR 41 6.274 -10.074 8.740 331 HE1 TYR 41 HE1 TYR 41 2.394 -8.772 6.004 332 HE2 TYR 41 HE2 TYR 41 6.047 -10.936 6.448 333 HH TYR 41 HH TYR 41 3.820 -9.679 4.212 334 HA PRO 42 HA PRO 42 3.165 -8.272 15.081 335 HB2 PRO 42 HB2 PRO 42 3.936 -10.165 16.825 336 HB3 PRO 42 HB1 PRO 42 2.501 -10.363 15.812 337 HG2 PRO 42 HG2 PRO 42 5.252 -11.492 15.433 338 HG3 PRO 42 HG1 PRO 42 3.680 -12.288 15.230 339 HD2 PRO 42 HD2 PRO 42 5.159 -11.277 13.146 340 HD3 PRO 42 HD1 PRO 42 3.393 -11.450 13.110 341 H ILE 43 HN ILE 43 4.211 -7.006 16.563 342 HA ILE 43 HA ILE 43 6.892 -6.301 16.289 343 HB ILE 43 HB ILE 43 5.103 -5.990 18.711 344 HG12 ILE 43 HG12 ILE 43 5.805 -4.067 16.473 345 HG13 ILE 43 HG11 ILE 43 4.259 -4.885 16.682 346 HG21 ILE 43 HG21 ILE 43 6.666 -4.215 19.420 347 HG22 ILE 43 HG22 ILE 43 7.747 -4.660 18.098 348 HG23 ILE 43 HG23 ILE 43 7.422 -5.808 19.397 349 HD11 ILE 43 HD11 ILE 43 3.915 -3.686 18.782 350 HD12 ILE 43 HD12 ILE 43 4.137 -2.590 17.421 351 HD13 ILE 43 HD13 ILE 43 5.458 -2.859 18.557 352 H THR 44 HN THR 44 8.513 -7.740 16.504 353 HA THR 44 HA THR 44 8.417 -9.888 18.422 354 HB THR 44 HB THR 44 10.902 -9.095 16.899 355 HG1 THR 44 HG1 THR 44 8.460 -9.806 15.849 356 HG21 THR 44 HG21 THR 44 11.056 -10.969 18.484 357 HG22 THR 44 HG22 THR 44 11.240 -11.529 16.822 358 HG23 THR 44 HG23 THR 44 9.713 -11.770 17.670 359 H LYS 45 HN LYS 45 10.155 -10.235 20.042 360 HA LYS 45 HA LYS 45 10.028 -8.192 21.911 361 HB2 LYS 45 HB2 LYS 45 11.705 -9.517 23.226 362 HB3 LYS 45 HB1 LYS 45 10.289 -10.409 22.697 363 HG2 LYS 45 HG2 LYS 45 12.762 -10.505 21.023 364 HG3 LYS 45 HG1 LYS 45 12.695 -11.446 22.514 365 HD2 LYS 45 HD2 LYS 45 10.648 -12.555 21.716 366 HD3 LYS 45 HD1 LYS 45 10.717 -11.613 20.227 367 HE2 LYS 45 HE2 LYS 45 12.804 -12.661 19.605 368 HE3 LYS 45 HE1 LYS 45 12.879 -13.512 21.149 369 HZ1 LYS 45 HZ1 LYS 45 10.743 -13.905 19.119 370 HZ2 LYS 45 HZ2 LYS 45 10.962 -14.785 20.546 371 HZ3 LYS 45 HZ3 LYS 45 12.092 -14.907 19.303 372 H GLU 46 HN GLU 46 12.857 -9.035 19.875 373 HA GLU 46 HA GLU 46 14.661 -7.252 21.094 374 HB2 GLU 46 HB2 GLU 46 15.218 -9.103 19.460 375 HB3 GLU 46 HB1 GLU 46 14.673 -8.040 18.172 376 HG2 GLU 46 HG2 GLU 46 17.083 -7.987 18.350 377 HG3 GLU 46 HG1 GLU 46 16.406 -6.416 18.779 378 H ALA 47 HN ALA 47 12.436 -6.805 18.396 379 HA ALA 47 HA ALA 47 13.222 -4.178 17.690 380 HB1 ALA 47 HB1 ALA 47 10.592 -5.582 17.211 381 HB2 ALA 47 HB2 ALA 47 12.006 -5.630 16.158 382 HB3 ALA 47 HB3 ALA 47 11.141 -4.112 16.403 383 H LEU 48 HN LEU 48 11.041 -5.404 20.145 384 HA LEU 48 HA LEU 48 9.265 -3.261 20.376 385 HB2 LEU 48 HB2 LEU 48 8.972 -5.491 21.405 386 HB3 LEU 48 HB1 LEU 48 10.241 -5.116 22.554 387 HG LEU 48 HG LEU 48 8.808 -3.223 23.397 388 HD11 LEU 48 HD11 LEU 48 7.377 -2.922 21.460 389 HD12 LEU 48 HD12 LEU 48 6.408 -3.299 22.884 390 HD13 LEU 48 HD13 LEU 48 6.713 -4.543 21.669 391 HD21 LEU 48 HD21 LEU 48 7.647 -6.002 23.600 392 HD22 LEU 48 HD22 LEU 48 7.345 -4.669 24.715 393 HD23 LEU 48 HD23 LEU 48 8.964 -5.355 24.580 394 H GLU 49 HN GLU 49 12.233 -3.824 22.364 395 HA GLU 49 HA GLU 49 12.107 -1.195 23.503 396 HB2 GLU 49 HB2 GLU 49 14.302 -3.264 23.459 397 HB3 GLU 49 HB1 GLU 49 14.513 -1.684 24.201 398 HG2 GLU 49 HG2 GLU 49 12.382 -2.291 25.548 399 HG3 GLU 49 HG1 GLU 49 12.735 -3.944 25.047 400 H GLU 50 HN GLU 50 13.815 -2.615 20.774 401 HA GLU 50 HA GLU 50 15.772 -0.673 20.355 402 HB2 GLU 50 HB2 GLU 50 15.843 -2.837 19.279 403 HB3 GLU 50 HB1 GLU 50 14.364 -2.493 18.394 404 HG2 GLU 50 HG2 GLU 50 15.543 -0.690 17.184 405 HG3 GLU 50 HG1 GLU 50 17.028 -1.125 18.030 406 H THR 51 HN THR 51 12.598 -0.932 18.737 407 HA THR 51 HA THR 51 12.997 1.709 17.525 408 HB THR 51 HB THR 51 10.696 -0.210 17.051 409 HG1 THR 51 HG1 THR 51 12.686 -1.199 16.476 410 HG21 THR 51 HG21 THR 51 11.780 2.082 15.390 411 HG22 THR 51 HG22 THR 51 10.262 2.086 16.288 412 HG23 THR 51 HG23 THR 51 10.471 1.000 14.914 413 H ARG 52 HN ARG 52 12.083 0.895 20.449 414 HA ARG 52 HA ARG 52 10.829 1.821 22.112 415 HB2 ARG 52 HB2 ARG 52 10.293 3.991 20.063 416 HB3 ARG 52 HB1 ARG 52 9.907 4.105 21.772 417 HG2 ARG 52 HG2 ARG 52 12.708 3.748 20.705 418 HG3 ARG 52 HG1 ARG 52 11.980 5.312 21.068 419 HD2 ARG 52 HD2 ARG 52 13.215 4.811 22.984 420 HD3 ARG 52 HD1 ARG 52 11.568 4.364 23.420 421 HE ARG 52 HE ARG 52 13.262 2.236 22.397 422 HH11 ARG 52 HH11 ARG 52 11.980 3.834 25.175 423 HH12 ARG 52 HH12 ARG 52 12.321 2.503 26.223 424 HH21 ARG 52 HH21 ARG 52 13.702 0.564 23.767 425 HH22 ARG 52 HH22 ARG 52 13.261 0.672 25.436 426 H LEU 53 HN LEU 53 9.634 -0.072 20.231 427 HA LEU 53 HA LEU 53 7.031 0.758 19.446 428 HB2 LEU 53 HB2 LEU 53 8.241 -1.995 19.694 429 HB3 LEU 53 HB1 LEU 53 6.674 -1.669 18.972 430 HG LEU 53 HG LEU 53 9.314 -0.600 17.947 431 HD11 LEU 53 HD11 LEU 53 7.567 -2.804 16.852 432 HD12 LEU 53 HD12 LEU 53 9.142 -3.008 17.621 433 HD13 LEU 53 HD13 LEU 53 9.015 -2.149 16.087 434 HD21 LEU 53 HD21 LEU 53 7.470 0.909 17.470 435 HD22 LEU 53 HD22 LEU 53 6.528 -0.423 16.795 436 HD23 LEU 53 HD23 LEU 53 8.008 0.106 15.992 437 H GLY 54 HN GLY 54 8.164 -0.012 22.514 438 HA2 GLY 54 HA2 GLY 54 6.029 -1.398 23.688 439 HA3 GLY 54 HA1 GLY 54 7.063 -0.259 24.532 440 H LYS 55 HN LYS 55 6.326 2.014 22.859 441 HA LYS 55 HA LYS 55 4.113 3.055 24.213 442 HB2 LYS 55 HB2 LYS 55 5.640 4.561 23.160 443 HB3 LYS 55 HB1 LYS 55 5.395 3.817 21.586 444 HG2 LYS 55 HG2 LYS 55 4.253 5.905 21.596 445 HG3 LYS 55 HG1 LYS 55 3.040 4.626 21.632 446 HD2 LYS 55 HD2 LYS 55 3.216 5.004 24.250 447 HD3 LYS 55 HD1 LYS 55 3.810 6.590 23.750 448 HE2 LYS 55 HE2 LYS 55 1.121 5.341 23.277 449 HE3 LYS 55 HE1 LYS 55 1.507 6.906 23.989 450 HZ1 LYS 55 HZ1 LYS 55 0.638 7.230 21.804 451 HZ2 LYS 55 HZ2 LYS 55 1.738 6.141 21.132 452 HZ3 LYS 55 HZ3 LYS 55 2.286 7.613 21.766 453 H LEU 56 HN LEU 56 4.280 1.227 21.214 454 HA LEU 56 HA LEU 56 1.790 1.815 20.114 455 HB2 LEU 56 HB2 LEU 56 3.595 0.600 18.943 456 HB3 LEU 56 HB1 LEU 56 3.298 -0.804 19.948 457 HG LEU 56 HG LEU 56 1.010 0.256 18.335 458 HD11 LEU 56 HD11 LEU 56 2.803 0.295 16.710 459 HD12 LEU 56 HD12 LEU 56 1.727 -1.061 16.381 460 HD13 LEU 56 HD13 LEU 56 3.284 -1.341 17.157 461 HD21 LEU 56 HD21 LEU 56 1.937 -2.543 19.016 462 HD22 LEU 56 HD22 LEU 56 0.446 -2.120 18.173 463 HD23 LEU 56 HD23 LEU 56 0.674 -1.640 19.854 464 H ILE 57 HN ILE 57 2.620 -0.316 22.760 465 HA ILE 57 HA ILE 57 0.355 -1.946 22.882 466 HB ILE 57 HB ILE 57 2.043 -0.838 25.136 467 HG12 ILE 57 HG12 ILE 57 2.118 -3.517 23.712 468 HG13 ILE 57 HG11 ILE 57 3.272 -2.206 23.490 469 HG21 ILE 57 HG21 ILE 57 -0.092 -1.543 26.046 470 HG22 ILE 57 HG22 ILE 57 1.161 -2.693 26.508 471 HG23 ILE 57 HG23 ILE 57 0.033 -3.092 25.213 472 HD11 ILE 57 HD11 ILE 57 4.170 -3.945 24.919 473 HD12 ILE 57 HD12 ILE 57 2.822 -3.747 26.039 474 HD13 ILE 57 HD13 ILE 57 3.983 -2.438 25.814 475 H ASN 58 HN ASN 58 0.846 1.326 24.215 476 HA ASN 58 HA ASN 58 -1.743 1.512 25.405 477 HB2 ASN 58 HB2 ASN 58 0.080 2.940 26.163 478 HB3 ASN 58 HB1 ASN 58 0.201 3.682 24.571 479 HD21 ASN 58 HD21 ASN 58 -0.129 5.714 25.574 480 HD22 ASN 58 HD22 ASN 58 -1.707 6.221 26.056 481 H ASP 59 HN ASP 59 -0.412 2.519 22.270 482 HA ASP 59 HA ASP 59 -2.709 3.941 21.415 483 HB2 ASP 59 HB2 ASP 59 -0.464 2.720 19.793 484 HB3 ASP 59 HB1 ASP 59 -1.672 3.836 19.157 485 H VAL 60 HN VAL 60 -1.685 0.579 20.839 486 HA VAL 60 HA VAL 60 -3.733 -0.036 18.984 487 HB VAL 60 HB VAL 60 -1.675 -1.394 19.230 488 HG11 VAL 60 HG11 VAL 60 -1.503 -3.062 21.020 489 HG12 VAL 60 HG12 VAL 60 -2.952 -2.401 21.776 490 HG13 VAL 60 HG13 VAL 60 -1.493 -1.419 21.661 491 HG21 VAL 60 HG21 VAL 60 -4.235 -2.963 19.592 492 HG22 VAL 60 HG22 VAL 60 -2.730 -3.584 18.912 493 HG23 VAL 60 HG23 VAL 60 -3.622 -2.317 18.069 494 H ARG 61 HN ARG 61 -3.647 -0.070 22.492 495 HA ARG 61 HA ARG 61 -6.004 -1.608 22.903 496 HB2 ARG 61 HB2 ARG 61 -4.383 -1.331 24.683 497 HB3 ARG 61 HB1 ARG 61 -4.616 0.412 24.679 498 HG2 ARG 61 HG2 ARG 61 -6.953 0.073 25.413 499 HG3 ARG 61 HG1 ARG 61 -6.654 -1.665 25.487 500 HD2 ARG 61 HD2 ARG 61 -5.127 0.408 27.067 501 HD3 ARG 61 HD1 ARG 61 -6.497 -0.508 27.688 502 HE ARG 61 HE ARG 61 -5.146 -2.520 27.440 503 HH11 ARG 61 HH11 ARG 61 -3.464 0.489 27.331 504 HH12 ARG 61 HH12 ARG 61 -1.968 -0.206 27.850 505 HH21 ARG 61 HH21 ARG 61 -3.223 -3.387 28.160 506 HH22 ARG 61 HH22 ARG 61 -1.834 -2.365 28.319 507 H LYS 62 HN LYS 62 -5.454 1.921 22.820 508 HA LYS 62 HA LYS 62 -8.290 2.430 23.244 509 HB2 LYS 62 HB2 LYS 62 -5.968 4.334 22.888 510 HB3 LYS 62 HB1 LYS 62 -7.613 4.812 23.292 511 HG2 LYS 62 HG2 LYS 62 -7.459 3.460 25.362 512 HG3 LYS 62 HG1 LYS 62 -5.776 3.102 24.969 513 HD2 LYS 62 HD2 LYS 62 -5.203 5.452 25.115 514 HD3 LYS 62 HD1 LYS 62 -6.896 5.882 25.362 515 HE2 LYS 62 HE2 LYS 62 -5.181 4.234 27.226 516 HE3 LYS 62 HE1 LYS 62 -5.688 5.903 27.479 517 HZ1 LYS 62 HZ1 LYS 62 -7.991 5.145 27.529 518 HZ2 LYS 62 HZ2 LYS 62 -7.072 4.383 28.724 519 HZ3 LYS 62 HZ3 LYS 62 -7.486 3.545 27.318 520 H LYS 63 HN LYS 63 -5.989 2.642 20.588 521 HA LYS 63 HA LYS 63 -7.973 3.933 18.863 522 HB2 LYS 63 HB2 LYS 63 -5.015 3.531 18.722 523 HB3 LYS 63 HB1 LYS 63 -5.896 3.743 17.218 524 HG2 LYS 63 HG2 LYS 63 -5.942 5.942 17.508 525 HG3 LYS 63 HG1 LYS 63 -6.754 5.757 19.059 526 HD2 LYS 63 HD2 LYS 63 -3.767 5.488 18.745 527 HD3 LYS 63 HD1 LYS 63 -4.555 7.035 19.050 528 HE2 LYS 63 HE2 LYS 63 -5.569 6.042 21.099 529 HE3 LYS 63 HE1 LYS 63 -4.609 4.590 20.816 530 HZ1 LYS 63 HZ1 LYS 63 -3.565 6.101 22.406 531 HZ2 LYS 63 HZ2 LYS 63 -3.512 7.316 21.238 532 HZ3 LYS 63 HZ3 LYS 63 -2.603 5.907 21.026 533 H THR 64 HN THR 64 -7.831 0.954 19.776 534 HA THR 64 HA THR 64 -7.443 -0.626 17.465 535 HB THR 64 HB THR 64 -7.493 -1.712 19.627 536 HG1 THR 64 HG1 THR 64 -9.416 -3.221 19.077 537 HG21 THR 64 HG21 THR 64 -10.407 -0.899 19.778 538 HG22 THR 64 HG22 THR 64 -9.100 -0.231 20.757 539 HG23 THR 64 HG23 THR 64 -9.558 -1.925 20.936 540 H LYS 65 HN LYS 65 -8.949 -1.649 16.104 541 HA LYS 65 HA LYS 65 -11.100 -0.180 15.069 542 HB2 LYS 65 HB2 LYS 65 -9.966 -1.910 13.784 543 HB3 LYS 65 HB1 LYS 65 -10.488 -3.145 14.921 544 HG2 LYS 65 HG2 LYS 65 -12.859 -2.613 14.272 545 HG3 LYS 65 HG1 LYS 65 -12.206 -1.576 13.002 546 HD2 LYS 65 HD2 LYS 65 -11.698 -4.544 13.303 547 HD3 LYS 65 HD1 LYS 65 -12.795 -3.797 12.141 548 HE2 LYS 65 HE2 LYS 65 -10.890 -2.630 11.113 549 HE3 LYS 65 HE1 LYS 65 -9.803 -3.400 12.266 550 HZ1 LYS 65 HZ1 LYS 65 -9.803 -4.549 10.149 551 HZ2 LYS 65 HZ2 LYS 65 -11.468 -4.814 10.258 552 HZ3 LYS 65 HZ3 LYS 65 -10.422 -5.549 11.366 553 H ASN 66 HN ASN 66 -11.126 -3.081 17.109 554 HA ASN 66 HA ASN 66 -13.816 -2.367 18.095 555 HB2 ASN 66 HB2 ASN 66 -13.836 -4.325 16.539 556 HB3 ASN 66 HB1 ASN 66 -12.732 -5.164 17.620 557 HD21 ASN 66 HD21 ASN 66 -15.338 -5.997 16.787 558 HD22 ASN 66 HD22 ASN 66 -16.296 -6.141 18.217 559 H GLU 67 HN GLU 67 -14.037 -2.358 20.307 560 HA GLU 67 HA GLU 67 -11.781 -2.350 21.981 561 HB2 GLU 67 HB2 GLU 67 -13.916 -1.204 22.504 562 HB3 GLU 67 HB1 GLU 67 -14.671 -2.768 22.787 563 HG2 GLU 67 HG2 GLU 67 -13.146 -3.181 24.650 564 HG3 GLU 67 HG1 GLU 67 -12.350 -1.636 24.356 565 H GLU 68 HN GLU 68 -14.096 -4.900 21.232 566 HA GLU 68 HA GLU 68 -13.250 -6.856 23.061 567 HB2 GLU 68 HB2 GLU 68 -14.278 -7.280 20.239 568 HB3 GLU 68 HB1 GLU 68 -14.269 -8.477 21.528 569 HG2 GLU 68 HG2 GLU 68 -15.856 -7.148 22.806 570 HG3 GLU 68 HG1 GLU 68 -15.827 -5.894 21.568 571 H LEU 69 HN LEU 69 -11.924 -5.834 19.973 572 HA LEU 69 HA LEU 69 -10.006 -7.909 19.663 573 HB2 LEU 69 HB2 LEU 69 -10.823 -6.325 17.879 574 HB3 LEU 69 HB1 LEU 69 -9.856 -5.070 18.622 575 HG LEU 69 HG LEU 69 -8.596 -7.621 17.612 576 HD11 LEU 69 HD11 LEU 69 -8.113 -6.467 15.508 577 HD12 LEU 69 HD12 LEU 69 -9.087 -5.093 16.031 578 HD13 LEU 69 HD13 LEU 69 -9.849 -6.658 15.752 579 HD21 LEU 69 HD21 LEU 69 -7.230 -6.205 19.084 580 HD22 LEU 69 HD22 LEU 69 -7.503 -4.828 18.018 581 HD23 LEU 69 HD23 LEU 69 -6.593 -6.224 17.441 582 H ALA 70 HN ALA 70 -9.930 -4.723 21.235 583 HA ALA 70 HA ALA 70 -7.217 -4.687 21.969 584 HB1 ALA 70 HB1 ALA 70 -8.695 -2.730 22.167 585 HB2 ALA 70 HB2 ALA 70 -7.837 -3.062 23.667 586 HB3 ALA 70 HB3 ALA 70 -9.536 -3.508 23.506 587 H LYS 71 HN LYS 71 -10.046 -5.959 23.724 588 HA LYS 71 HA LYS 71 -8.723 -6.986 25.969 589 HB2 LYS 71 HB2 LYS 71 -11.120 -8.209 24.577 590 HB3 LYS 71 HB1 LYS 71 -10.652 -8.448 26.255 591 HG2 LYS 71 HG2 LYS 71 -11.630 -5.879 25.006 592 HG3 LYS 71 HG1 LYS 71 -12.518 -6.917 26.120 593 HD2 LYS 71 HD2 LYS 71 -9.989 -5.380 26.748 594 HD3 LYS 71 HD1 LYS 71 -11.618 -4.955 27.272 595 HE2 LYS 71 HE2 LYS 71 -10.087 -7.445 28.043 596 HE3 LYS 71 HE1 LYS 71 -10.380 -6.044 29.071 597 HZ1 LYS 71 HZ1 LYS 71 -12.437 -7.892 27.988 598 HZ2 LYS 71 HZ2 LYS 71 -12.771 -6.505 28.892 599 HZ3 LYS 71 HZ3 LYS 71 -11.927 -7.786 29.594 600 H ARG 72 HN ARG 72 -9.171 -8.339 22.753 601 HA ARG 72 HA ARG 72 -7.988 -10.884 23.260 602 HB2 ARG 72 HB2 ARG 72 -9.516 -10.392 21.364 603 HB3 ARG 72 HB1 ARG 72 -8.270 -9.384 20.645 604 HG2 ARG 72 HG2 ARG 72 -8.288 -11.512 19.542 605 HG3 ARG 72 HG1 ARG 72 -6.804 -11.379 20.487 606 HD2 ARG 72 HD2 ARG 72 -7.688 -12.806 22.202 607 HD3 ARG 72 HD1 ARG 72 -9.289 -12.801 21.457 608 HE ARG 72 HE ARG 72 -6.914 -14.226 20.488 609 HH11 ARG 72 HH11 ARG 72 -10.296 -13.566 20.243 610 HH12 ARG 72 HH12 ARG 72 -10.563 -14.843 19.106 611 HH21 ARG 72 HH21 ARG 72 -7.288 -15.855 19.035 612 HH22 ARG 72 HH22 ARG 72 -8.889 -16.129 18.441 613 H ALA 73 HN ALA 73 -6.722 -7.764 22.220 614 HA ALA 73 HA ALA 73 -4.180 -8.543 21.334 615 HB1 ALA 73 HB1 ALA 73 -3.528 -6.221 21.642 616 HB2 ALA 73 HB2 ALA 73 -4.945 -5.934 22.651 617 HB3 ALA 73 HB3 ALA 73 -5.143 -6.315 20.942 618 H LYS 74 HN LYS 74 -5.410 -8.006 24.567 619 HA LYS 74 HA LYS 74 -3.108 -7.733 26.081 620 HB2 LYS 74 HB2 LYS 74 -5.428 -7.598 26.931 621 HB3 LYS 74 HB1 LYS 74 -5.594 -9.335 26.742 622 HG2 LYS 74 HG2 LYS 74 -5.222 -8.862 29.044 623 HG3 LYS 74 HG1 LYS 74 -3.769 -9.632 28.408 624 HD2 LYS 74 HD2 LYS 74 -2.587 -7.571 28.359 625 HD3 LYS 74 HD1 LYS 74 -4.064 -6.637 28.615 626 HE2 LYS 74 HE2 LYS 74 -2.775 -8.511 30.606 627 HE3 LYS 74 HE1 LYS 74 -2.729 -6.748 30.659 628 HZ1 LYS 74 HZ1 LYS 74 -5.148 -8.456 30.902 629 HZ2 LYS 74 HZ2 LYS 74 -5.171 -6.769 30.836 630 HZ3 LYS 74 HZ3 LYS 74 -4.424 -7.550 32.135 631 H LYS 75 HN LYS 75 -4.600 -10.695 24.850 632 HA LYS 75 HA LYS 75 -2.779 -12.556 25.940 633 HB2 LYS 75 HB2 LYS 75 -4.864 -13.355 25.165 634 HB3 LYS 75 HB1 LYS 75 -4.671 -12.601 23.594 635 HG2 LYS 75 HG2 LYS 75 -2.700 -14.700 24.329 636 HG3 LYS 75 HG1 LYS 75 -4.354 -15.222 24.006 637 HD2 LYS 75 HD2 LYS 75 -4.270 -14.089 21.815 638 HD3 LYS 75 HD1 LYS 75 -2.604 -13.604 22.139 639 HE2 LYS 75 HE2 LYS 75 -3.602 -16.451 21.949 640 HE3 LYS 75 HE1 LYS 75 -2.733 -15.583 20.684 641 HZ1 LYS 75 HZ1 LYS 75 -0.841 -15.388 22.178 642 HZ2 LYS 75 HZ2 LYS 75 -1.256 -17.005 21.932 643 HZ3 LYS 75 HZ3 LYS 75 -1.672 -16.240 23.379 644 H LEU 76 HN LEU 76 -2.717 -10.674 22.944 645 HA LEU 76 HA LEU 76 -0.489 -11.990 21.759 646 HB2 LEU 76 HB2 LEU 76 -1.535 -9.192 21.299 647 HB3 LEU 76 HB1 LEU 76 -0.399 -10.036 20.261 648 HG LEU 76 HG LEU 76 -3.263 -10.881 20.772 649 HD11 LEU 76 HD11 LEU 76 -3.667 -10.216 18.462 650 HD12 LEU 76 HD12 LEU 76 -2.003 -9.649 18.322 651 HD13 LEU 76 HD13 LEU 76 -3.117 -8.846 19.429 652 HD21 LEU 76 HD21 LEU 76 -2.880 -12.516 18.990 653 HD22 LEU 76 HD22 LEU 76 -1.801 -12.795 20.356 654 HD23 LEU 76 HD23 LEU 76 -1.190 -12.022 18.893 655 H LEU 77 HN LEU 77 -0.782 -9.190 23.890 656 HA LEU 77 HA LEU 77 1.801 -8.153 23.757 657 HB2 LEU 77 HB2 LEU 77 -0.332 -8.173 25.848 658 HB3 LEU 77 HB1 LEU 77 1.261 -7.607 26.303 659 HG LEU 77 HG LEU 77 1.162 -5.789 24.745 660 HD11 LEU 77 HD11 LEU 77 0.071 -6.924 22.875 661 HD12 LEU 77 HD12 LEU 77 -0.735 -5.402 23.256 662 HD13 LEU 77 HD13 LEU 77 -1.454 -6.931 23.762 663 HD21 LEU 77 HD21 LEU 77 -1.465 -6.078 26.208 664 HD22 LEU 77 HD22 LEU 77 -0.812 -4.570 25.571 665 HD23 LEU 77 HD23 LEU 77 0.034 -5.418 26.863 666 H ARG 78 HN ARG 78 0.647 -10.987 25.476 667 HA ARG 78 HA ARG 78 2.686 -11.353 27.341 668 HB2 ARG 78 HB2 ARG 78 1.194 -13.510 25.825 669 HB3 ARG 78 HB1 ARG 78 2.073 -13.734 27.331 670 HG2 ARG 78 HG2 ARG 78 -0.376 -12.010 26.955 671 HG3 ARG 78 HG1 ARG 78 -0.338 -13.610 27.696 672 HD2 ARG 78 HD2 ARG 78 1.165 -12.733 29.451 673 HD3 ARG 78 HD1 ARG 78 1.050 -11.129 28.724 674 HE ARG 78 HE ARG 78 -1.508 -12.244 29.353 675 HH11 ARG 78 HH11 ARG 78 1.183 -10.573 30.724 676 HH12 ARG 78 HH12 ARG 78 0.230 -9.856 31.974 677 HH21 ARG 78 HH21 ARG 78 -2.708 -11.295 30.961 678 HH22 ARG 78 HH22 ARG 78 -1.921 -10.270 32.114 679 H SER 79 HN SER 79 2.630 -12.163 23.903 680 HA SER 79 HA SER 79 4.992 -13.746 23.881 681 HB2 SER 79 HB2 SER 79 3.708 -12.193 21.613 682 HB3 SER 79 HB1 SER 79 4.923 -13.459 21.431 683 HG SER 79 HG SER 79 3.415 -14.907 21.652 684 H TRP 80 HN TRP 80 4.439 -10.302 23.744 685 HA TRP 80 HA TRP 80 7.099 -9.639 22.814 686 HB2 TRP 80 HB2 TRP 80 5.032 -7.824 24.090 687 HB3 TRP 80 HB1 TRP 80 6.427 -7.324 23.143 688 HD1 TRP 80 HD1 TRP 80 5.192 -10.071 21.183 689 HE1 TRP 80 HE1 TRP 80 3.562 -9.302 19.354 690 HE3 TRP 80 HE3 TRP 80 4.155 -5.375 22.927 691 HZ2 TRP 80 HZ2 TRP 80 2.036 -7.018 18.724 692 HZ3 TRP 80 HZ3 TRP 80 2.599 -3.960 21.649 693 HH2 TRP 80 HH2 TRP 80 1.561 -4.767 19.589 694 H GLN 81 HN GLN 81 5.415 -9.865 25.875 695 HA GLN 81 HA GLN 81 7.202 -8.387 27.473 696 HB2 GLN 81 HB2 GLN 81 5.262 -10.564 28.261 697 HB3 GLN 81 HB1 GLN 81 6.071 -9.484 29.389 698 HG2 GLN 81 HG2 GLN 81 4.142 -8.655 27.221 699 HG3 GLN 81 HG1 GLN 81 3.782 -8.768 28.942 700 HE21 GLN 81 HE21 GLN 81 5.423 -6.932 26.472 701 HE22 GLN 81 HE22 GLN 81 5.729 -5.540 27.443 702 H LYS 82 HN LYS 82 7.609 -11.532 26.150 703 HA LYS 82 HA LYS 82 8.940 -12.849 28.231 704 HB2 LYS 82 HB2 LYS 82 9.837 -14.360 26.537 705 HB3 LYS 82 HB1 LYS 82 8.148 -14.012 26.228 706 HG2 LYS 82 HG2 LYS 82 9.129 -13.981 24.116 707 HG3 LYS 82 HG1 LYS 82 8.990 -12.277 24.537 708 HD2 LYS 82 HD2 LYS 82 11.157 -12.771 23.501 709 HD3 LYS 82 HD1 LYS 82 11.359 -12.226 25.163 710 HE2 LYS 82 HE2 LYS 82 11.541 -14.626 25.848 711 HE3 LYS 82 HE1 LYS 82 11.522 -15.062 24.139 712 HZ1 LYS 82 HZ1 LYS 82 13.538 -13.758 23.826 713 HZ2 LYS 82 HZ2 LYS 82 13.776 -14.943 25.005 714 HZ3 LYS 82 HZ3 LYS 82 13.545 -13.334 25.462 715 H LEU 83 HN LEU 83 10.031 -10.263 26.253 716 HA LEU 83 HA LEU 83 12.832 -10.653 26.388 717 HB2 LEU 83 HB2 LEU 83 11.651 -9.070 24.860 718 HB3 LEU 83 HB1 LEU 83 11.299 -8.047 26.237 719 HG LEU 83 HG LEU 83 13.779 -7.771 26.575 720 HD11 LEU 83 HD11 LEU 83 14.545 -9.764 25.414 721 HD12 LEU 83 HD12 LEU 83 15.255 -8.323 24.691 722 HD13 LEU 83 HD13 LEU 83 13.916 -9.142 23.888 723 HD21 LEU 83 HD21 LEU 83 12.413 -6.070 25.445 724 HD22 LEU 83 HD22 LEU 83 12.697 -6.871 23.901 725 HD23 LEU 83 HD23 LEU 83 14.043 -6.148 24.780 726 H ILE 84 HN ILE 84 10.515 -9.189 28.603 727 HA ILE 84 HA ILE 84 12.695 -8.373 30.415 728 HB ILE 84 HB ILE 84 11.030 -6.948 31.540 729 HG12 ILE 84 HG12 ILE 84 9.153 -7.891 29.347 730 HG13 ILE 84 HG11 ILE 84 9.017 -8.287 31.056 731 HG21 ILE 84 HG21 ILE 84 10.813 -5.285 29.763 732 HG22 ILE 84 HG22 ILE 84 11.156 -6.518 28.550 733 HG23 ILE 84 HG23 ILE 84 12.399 -6.054 29.712 734 HD11 ILE 84 HD11 ILE 84 8.726 -5.558 29.823 735 HD12 ILE 84 HD12 ILE 84 8.669 -5.905 31.553 736 HD13 ILE 84 HD13 ILE 84 7.439 -6.573 30.478 737 H GLU 85 HN GLU 85 10.083 -10.652 30.165 738 HA GLU 85 HA GLU 85 10.699 -11.606 32.875 739 HB2 GLU 85 HB2 GLU 85 8.304 -11.908 33.389 740 HB3 GLU 85 HB1 GLU 85 8.728 -10.221 33.155 741 HG2 GLU 85 HG2 GLU 85 7.798 -10.352 30.857 742 HG3 GLU 85 HG1 GLU 85 7.282 -12.004 31.199 743 HA PRO 86 HA PRO 86 10.718 -15.659 31.214 744 HB2 PRO 86 HB2 PRO 86 9.504 -17.234 33.055 745 HB3 PRO 86 HB1 PRO 86 11.045 -16.424 33.365 746 HG2 PRO 86 HG2 PRO 86 8.275 -15.581 34.162 747 HG3 PRO 86 HG1 PRO 86 9.750 -15.636 35.148 748 HD2 PRO 86 HD2 PRO 86 8.850 -13.342 34.049 749 HD3 PRO 86 HD1 PRO 86 10.584 -13.676 34.240 750 H ALA 87 HN ALA 87 8.393 -14.142 30.198 751 HA ALA 87 HA ALA 87 6.172 -15.941 30.012 752 HB1 ALA 87 HB1 ALA 87 5.913 -13.508 29.773 753 HB2 ALA 87 HB2 ALA 87 5.292 -14.373 28.368 754 HB3 ALA 87 HB3 ALA 87 6.855 -13.560 28.283 755 H HIS 88 HN HIS 88 9.224 -16.070 28.632 756 HA HIS 88 HA HIS 88 8.570 -17.011 26.021 757 HB2 HIS 88 HB2 HIS 88 10.947 -17.835 25.964 758 HB3 HIS 88 HB1 HIS 88 10.758 -16.123 26.305 759 HD1 HIS 88 HD1 HIS 88 11.836 -19.347 27.898 760 HD2 HIS 88 HD2 HIS 88 11.651 -15.296 28.800 761 HE1 HIS 88 HE1 HIS 88 13.193 -19.062 29.993 762 HE2 HIS 88 HE2 HIS 88 13.217 -16.578 30.410 763 H GLN 89 HN GLN 89 6.863 -18.469 26.718 764 HA GLN 89 HA GLN 89 7.922 -21.203 26.835 765 HB2 GLN 89 HB2 GLN 89 6.117 -21.860 28.409 766 HB3 GLN 89 HB1 GLN 89 7.251 -20.720 29.122 767 HG2 GLN 89 HG2 GLN 89 5.625 -18.894 28.617 768 HG3 GLN 89 HG1 GLN 89 4.479 -20.129 28.096 769 HE21 GLN 89 HE21 GLN 89 4.267 -18.207 30.274 770 HE22 GLN 89 HE22 GLN 89 4.028 -19.138 31.705 771 H HIS 90 HN HIS 90 6.506 -19.117 25.013 772 HA HIS 90 HA HIS 90 4.867 -21.009 23.572 773 HB2 HIS 90 HB2 HIS 90 3.267 -20.064 25.220 774 HB3 HIS 90 HB1 HIS 90 3.629 -18.448 24.624 775 HD1 HIS 90 HD1 HIS 90 2.871 -17.965 22.082 776 HD2 HIS 90 HD2 HIS 90 1.333 -21.415 23.820 777 HE1 HIS 90 HE1 HIS 90 0.929 -18.635 20.646 778 HE2 HIS 90 HE2 HIS 90 -0.087 -20.615 21.816 779 H GLU 91 HN GLU 91 6.074 -17.698 23.895 780 HA GLU 91 HA GLU 91 6.878 -16.181 22.411 781 HB2 GLU 91 HB2 GLU 91 7.197 -18.666 20.715 782 HB3 GLU 91 HB1 GLU 91 7.806 -17.088 20.238 783 HG2 GLU 91 HG2 GLU 91 8.617 -18.532 22.760 784 HG3 GLU 91 HG1 GLU 91 9.517 -18.580 21.246 785 H ALA 92 HN ALA 92 6.626 -15.808 19.695 786 HA ALA 92 HA ALA 92 3.804 -15.166 19.433 787 HB1 ALA 92 HB1 ALA 92 4.479 -13.870 17.475 788 HB2 ALA 92 HB2 ALA 92 6.112 -14.532 17.581 789 HB3 ALA 92 HB3 ALA 92 5.500 -13.485 18.861 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -2.096 -1.525 3.562 2 H2 MET 1 HT2 MET 1 -2.582 -2.635 2.381 3 H3 MET 1 HT3 MET 1 -2.980 -1.002 2.220 4 HA MET 1 HA MET 1 -1.177 -1.552 0.745 5 HB2 MET 1 HB2 MET 1 -0.309 0.130 3.112 6 HB3 MET 1 HB1 MET 1 0.457 0.144 1.529 7 HG2 MET 1 HG2 MET 1 -1.575 1.017 0.528 8 HG3 MET 1 HG1 MET 1 -2.399 0.934 2.086 9 HE1 MET 1 HE1 MET 1 -1.951 4.794 1.479 10 HE2 MET 1 HE2 MET 1 -3.105 3.491 1.765 11 HE3 MET 1 HE3 MET 1 -2.226 3.570 0.239 12 H THR 2 HN THR 2 -0.009 -3.360 0.449 13 HA THR 2 HA THR 2 1.840 -4.217 2.597 14 HB THR 2 HB THR 2 0.577 -5.903 0.413 15 HG1 THR 2 HG1 THR 2 -0.927 -5.977 1.925 16 HG21 THR 2 HG21 THR 2 2.857 -6.668 0.856 17 HG22 THR 2 HG22 THR 2 1.686 -7.812 1.516 18 HG23 THR 2 HG23 THR 2 2.528 -6.693 2.590 19 H ALA 3 HN ALA 3 3.750 -3.290 2.112 20 HA ALA 3 HA ALA 3 4.829 -3.596 -0.625 21 HB1 ALA 3 HB1 ALA 3 5.671 -1.684 1.565 22 HB2 ALA 3 HB2 ALA 3 4.681 -1.278 0.163 23 HB3 ALA 3 HB3 ALA 3 6.361 -1.767 -0.057 24 H ALA 4 HN ALA 4 4.753 -5.655 1.488 25 HA ALA 4 HA ALA 4 6.021 -7.202 2.551 26 HB1 ALA 4 HB1 ALA 4 8.251 -6.182 0.786 27 HB2 ALA 4 HB2 ALA 4 7.096 -7.448 0.365 28 HB3 ALA 4 HB3 ALA 4 8.244 -7.704 1.680 29 HA PRO 5 HA PRO 5 7.497 -3.891 5.474 30 HB2 PRO 5 HB2 PRO 5 6.420 -5.127 7.690 31 HB3 PRO 5 HB1 PRO 5 5.561 -3.948 6.695 32 HG2 PRO 5 HG2 PRO 5 5.427 -6.942 6.622 33 HG3 PRO 5 HG1 PRO 5 4.107 -5.761 6.514 34 HD2 PRO 5 HD2 PRO 5 5.076 -6.987 4.326 35 HD3 PRO 5 HD1 PRO 5 4.551 -5.289 4.277 36 H ALA 6 HN ALA 6 7.542 -7.418 5.849 37 HA ALA 6 HA ALA 6 9.094 -8.896 6.567 38 HB1 ALA 6 HB1 ALA 6 10.395 -7.874 4.756 39 HB2 ALA 6 HB2 ALA 6 11.423 -8.434 6.075 40 HB3 ALA 6 HB3 ALA 6 11.068 -6.714 5.903 41 H SER 7 HN SER 7 10.666 -5.908 7.726 42 HA SER 7 HA SER 7 10.828 -7.127 10.408 43 HB2 SER 7 HB2 SER 7 12.997 -6.717 9.283 44 HB3 SER 7 HB1 SER 7 12.604 -5.002 9.170 45 HG SER 7 HG SER 7 13.934 -5.511 10.978 46 HA PRO 8 HA PRO 8 8.147 -4.327 12.453 47 HB2 PRO 8 HB2 PRO 8 10.501 -3.708 14.208 48 HB3 PRO 8 HB1 PRO 8 8.833 -4.086 14.659 49 HG2 PRO 8 HG2 PRO 8 10.694 -5.955 14.833 50 HG3 PRO 8 HG1 PRO 8 9.088 -6.361 14.195 51 HD2 PRO 8 HD2 PRO 8 11.671 -6.006 12.743 52 HD3 PRO 8 HD1 PRO 8 10.320 -7.102 12.393 53 H GLN 9 HN GLN 9 11.286 -2.913 11.489 54 HA GLN 9 HA GLN 9 10.716 -0.255 12.249 55 HB2 GLN 9 HB2 GLN 9 12.428 -1.089 9.893 56 HB3 GLN 9 HB1 GLN 9 12.471 0.460 10.718 57 HG2 GLN 9 HG2 GLN 9 14.311 -0.600 11.599 58 HG3 GLN 9 HG1 GLN 9 13.082 -0.954 12.814 59 HE21 GLN 9 HE21 GLN 9 14.167 -2.816 13.514 60 HE22 GLN 9 HE22 GLN 9 14.223 -4.256 12.559 61 H GLN 10 HN GLN 10 10.110 -1.951 9.201 62 HA GLN 10 HA GLN 10 8.986 0.235 7.799 63 HB2 GLN 10 HB2 GLN 10 8.709 -2.757 7.463 64 HB3 GLN 10 HB1 GLN 10 7.915 -1.615 6.388 65 HG2 GLN 10 HG2 GLN 10 9.953 -2.380 5.373 66 HG3 GLN 10 HG1 GLN 10 10.113 -0.677 5.791 67 HE21 GLN 10 HE21 GLN 10 10.388 -3.384 8.031 68 HE22 GLN 10 HE22 GLN 10 12.059 -3.129 8.398 69 H ILE 11 HN ILE 11 7.592 -2.197 9.932 70 HA ILE 11 HA ILE 11 4.868 -1.524 9.571 71 HB ILE 11 HB ILE 11 6.220 -2.690 12.020 72 HG12 ILE 11 HG12 ILE 11 4.849 -4.061 9.682 73 HG13 ILE 11 HG11 ILE 11 6.584 -4.032 9.981 74 HG21 ILE 11 HG21 ILE 11 4.017 -1.780 12.549 75 HG22 ILE 11 HG22 ILE 11 3.996 -3.541 12.610 76 HG23 ILE 11 HG23 ILE 11 3.305 -2.700 11.225 77 HD11 ILE 11 HD11 ILE 11 4.504 -5.336 11.724 78 HD12 ILE 11 HD12 ILE 11 6.235 -5.284 12.060 79 HD13 ILE 11 HD13 ILE 11 5.636 -6.150 10.646 80 H ARG 12 HN ARG 12 7.322 -0.373 11.868 81 HA ARG 12 HA ARG 12 5.666 1.368 13.349 82 HB2 ARG 12 HB2 ARG 12 7.971 0.592 14.004 83 HB3 ARG 12 HB1 ARG 12 8.629 1.703 12.809 84 HG2 ARG 12 HG2 ARG 12 7.525 3.575 14.033 85 HG3 ARG 12 HG1 ARG 12 7.049 2.420 15.279 86 HD2 ARG 12 HD2 ARG 12 9.461 1.857 15.589 87 HD3 ARG 12 HD1 ARG 12 9.865 3.144 14.456 88 HE ARG 12 HE ARG 12 8.924 3.441 17.191 89 HH11 ARG 12 HH11 ARG 12 9.619 4.994 14.183 90 HH12 ARG 12 HH12 ARG 12 9.817 6.550 14.916 91 HH21 ARG 12 HH21 ARG 12 9.198 5.435 18.111 92 HH22 ARG 12 HH22 ARG 12 9.572 6.797 17.112 93 H ASP 13 HN ASP 13 7.712 1.922 10.492 94 HA ASP 13 HA ASP 13 7.275 4.655 10.124 95 HB2 ASP 13 HB2 ASP 13 8.929 3.312 8.866 96 HB3 ASP 13 HB1 ASP 13 7.619 2.505 8.010 97 H ARG 14 HN ARG 14 5.390 1.877 8.955 98 HA ARG 14 HA ARG 14 3.348 3.363 7.668 99 HB2 ARG 14 HB2 ARG 14 3.767 1.001 7.175 100 HB3 ARG 14 HB1 ARG 14 3.266 0.556 8.800 101 HG2 ARG 14 HG2 ARG 14 1.006 1.125 8.366 102 HG3 ARG 14 HG1 ARG 14 1.426 1.950 6.863 103 HD2 ARG 14 HD2 ARG 14 0.397 -0.283 6.509 104 HD3 ARG 14 HD1 ARG 14 2.012 -0.141 5.815 105 HE ARG 14 HE ARG 14 2.093 -1.224 8.440 106 HH11 ARG 14 HH11 ARG 14 1.400 -2.048 5.163 107 HH12 ARG 14 HH12 ARG 14 1.809 -3.713 5.390 108 HH21 ARG 14 HH21 ARG 14 2.625 -3.363 8.693 109 HH22 ARG 14 HH22 ARG 14 2.479 -4.444 7.354 110 H LEU 15 HN LEU 15 3.791 2.387 11.008 111 HA LEU 15 HA LEU 15 1.190 2.952 11.968 112 HB2 LEU 15 HB2 LEU 15 3.195 1.769 13.106 113 HB3 LEU 15 HB1 LEU 15 3.722 3.377 13.555 114 HG LEU 15 HG LEU 15 1.073 2.145 14.370 115 HD11 LEU 15 HD11 LEU 15 2.094 1.944 16.597 116 HD12 LEU 15 HD12 LEU 15 3.637 2.475 15.929 117 HD13 LEU 15 HD13 LEU 15 2.921 0.953 15.395 118 HD21 LEU 15 HD21 LEU 15 0.972 4.005 15.977 119 HD22 LEU 15 HD22 LEU 15 0.969 4.578 14.310 120 HD23 LEU 15 HD23 LEU 15 2.442 4.686 15.276 121 H LEU 16 HN LEU 16 4.109 5.004 11.757 122 HA LEU 16 HA LEU 16 3.073 7.225 13.140 123 HB2 LEU 16 HB2 LEU 16 5.392 6.797 11.312 124 HB3 LEU 16 HB1 LEU 16 4.947 8.443 11.717 125 HG LEU 16 HG LEU 16 5.288 7.996 14.091 126 HD11 LEU 16 HD11 LEU 16 6.082 5.205 13.263 127 HD12 LEU 16 HD12 LEU 16 4.626 5.648 14.154 128 HD13 LEU 16 HD13 LEU 16 6.212 5.885 14.886 129 HD21 LEU 16 HD21 LEU 16 7.709 7.699 14.065 130 HD22 LEU 16 HD22 LEU 16 7.193 8.754 12.751 131 HD23 LEU 16 HD23 LEU 16 7.628 7.077 12.418 132 H GLN 17 HN GLN 17 2.995 6.497 9.674 133 HA GLN 17 HA GLN 17 2.234 9.022 8.722 134 HB2 GLN 17 HB2 GLN 17 1.242 7.734 6.778 135 HB3 GLN 17 HB1 GLN 17 2.931 7.391 7.134 136 HG2 GLN 17 HG2 GLN 17 2.407 5.321 8.133 137 HG3 GLN 17 HG1 GLN 17 0.691 5.705 8.208 138 HE21 GLN 17 HE21 GLN 17 0.235 3.752 7.178 139 HE22 GLN 17 HE22 GLN 17 0.445 3.563 5.471 140 H ALA 18 HN ALA 18 0.336 6.691 10.461 141 HA ALA 18 HA ALA 18 -2.202 7.659 9.402 142 HB1 ALA 18 HB1 ALA 18 -1.849 5.258 9.742 143 HB2 ALA 18 HB2 ALA 18 -3.208 5.866 10.684 144 HB3 ALA 18 HB3 ALA 18 -1.665 5.536 11.475 145 H ILE 19 HN ILE 19 -0.183 8.481 12.037 146 HA ILE 19 HA ILE 19 -2.432 9.810 13.404 147 HB ILE 19 HB ILE 19 -1.562 9.168 15.611 148 HG12 ILE 19 HG12 ILE 19 0.302 7.302 14.110 149 HG13 ILE 19 HG11 ILE 19 0.807 8.798 14.889 150 HG21 ILE 19 HG21 ILE 19 -3.351 7.832 14.623 151 HG22 ILE 19 HG22 ILE 19 -2.289 6.826 15.606 152 HG23 ILE 19 HG23 ILE 19 -2.158 6.786 13.848 153 HD11 ILE 19 HD11 ILE 19 -0.370 6.395 16.269 154 HD12 ILE 19 HD12 ILE 19 0.129 7.895 17.054 155 HD13 ILE 19 HD13 ILE 19 1.327 6.872 16.261 156 H ASP 20 HN ASP 20 -1.784 11.493 14.916 157 HA ASP 20 HA ASP 20 0.750 12.800 14.293 158 HB2 ASP 20 HB2 ASP 20 -1.579 13.608 16.060 159 HB3 ASP 20 HB1 ASP 20 -0.120 14.577 15.858 160 HA PRO 21 HA PRO 21 3.308 11.488 17.681 161 HB2 PRO 21 HB2 PRO 21 3.076 14.237 18.851 162 HB3 PRO 21 HB1 PRO 21 4.517 13.243 18.592 163 HG2 PRO 21 HG2 PRO 21 3.953 15.230 16.922 164 HG3 PRO 21 HG1 PRO 21 4.581 13.690 16.309 165 HD2 PRO 21 HD2 PRO 21 1.814 14.795 16.171 166 HD3 PRO 21 HD1 PRO 21 2.670 13.744 15.025 167 H GLN 22 HN GLN 22 0.398 13.241 18.534 168 HA GLN 22 HA GLN 22 0.341 12.223 21.264 169 HB2 GLN 22 HB2 GLN 22 -0.586 14.526 20.035 170 HB3 GLN 22 HB1 GLN 22 -2.059 13.600 20.258 171 HG2 GLN 22 HG2 GLN 22 -0.128 14.116 22.504 172 HG3 GLN 22 HG1 GLN 22 -1.411 15.244 22.084 173 HE21 GLN 22 HE21 GLN 22 -3.306 13.133 21.400 174 HE22 GLN 22 HE22 GLN 22 -3.801 12.435 22.897 175 H SER 23 HN SER 23 -0.089 10.565 18.642 176 HA SER 23 HA SER 23 -1.297 8.781 17.937 177 HB2 SER 23 HB2 SER 23 -2.078 8.776 20.856 178 HB3 SER 23 HB1 SER 23 -2.642 7.540 19.732 179 HG SER 23 HG SER 23 -0.638 6.769 19.525 180 H ASN 24 HN ASN 24 -2.401 11.178 17.237 181 HA ASN 24 HA ASN 24 -5.293 10.993 17.701 182 HB2 ASN 24 HB2 ASN 24 -3.734 13.098 16.182 183 HB3 ASN 24 HB1 ASN 24 -5.424 13.193 16.675 184 HD21 ASN 24 HD21 ASN 24 -3.120 14.897 17.314 185 HD22 ASN 24 HD22 ASN 24 -3.047 14.951 19.038 186 H ILE 25 HN ILE 25 -6.792 10.567 16.076 187 HA ILE 25 HA ILE 25 -5.929 8.911 13.935 188 HB ILE 25 HB ILE 25 -8.638 10.070 14.602 189 HG12 ILE 25 HG12 ILE 25 -7.674 8.284 16.076 190 HG13 ILE 25 HG11 ILE 25 -9.190 7.830 15.304 191 HG21 ILE 25 HG21 ILE 25 -7.968 8.142 12.366 192 HG22 ILE 25 HG22 ILE 25 -8.566 9.792 12.182 193 HG23 ILE 25 HG23 ILE 25 -9.598 8.559 12.904 194 HD11 ILE 25 HD11 ILE 25 -7.950 6.525 13.643 195 HD12 ILE 25 HD12 ILE 25 -7.607 5.991 15.288 196 HD13 ILE 25 HD13 ILE 25 -6.433 6.981 14.422 197 H ARG 26 HN ARG 26 -4.794 9.776 12.271 198 HA ARG 26 HA ARG 26 -6.018 11.991 10.759 199 HB2 ARG 26 HB2 ARG 26 -3.346 10.618 10.349 200 HB3 ARG 26 HB1 ARG 26 -3.938 12.005 9.443 201 HG2 ARG 26 HG2 ARG 26 -3.966 13.315 11.541 202 HG3 ARG 26 HG1 ARG 26 -3.262 11.928 12.380 203 HD2 ARG 26 HD2 ARG 26 -1.535 13.534 11.774 204 HD3 ARG 26 HD1 ARG 26 -1.315 12.027 10.888 205 HE ARG 26 HE ARG 26 -2.358 13.187 8.963 206 HH11 ARG 26 HH11 ARG 26 -0.995 15.063 11.502 207 HH12 ARG 26 HH12 ARG 26 -0.642 16.404 10.468 208 HH21 ARG 26 HH21 ARG 26 -1.907 14.929 7.646 209 HH22 ARG 26 HH22 ARG 26 -1.156 16.330 8.323 210 H ASN 27 HN ASN 27 -4.889 8.650 10.401 211 HA ASN 27 HA ASN 27 -6.894 8.251 8.282 212 HB2 ASN 27 HB2 ASN 27 -4.631 8.524 7.253 213 HB3 ASN 27 HB1 ASN 27 -4.072 7.139 8.183 214 HD21 ASN 27 HD21 ASN 27 -4.227 7.546 5.293 215 HD22 ASN 27 HD22 ASN 27 -5.189 6.241 4.687 216 H MET 28 HN MET 28 -8.316 6.926 9.240 217 HA MET 28 HA MET 28 -7.740 5.155 11.353 218 HB2 MET 28 HB2 MET 28 -9.992 6.086 10.897 219 HB3 MET 28 HB1 MET 28 -10.098 5.090 9.451 220 HG2 MET 28 HG2 MET 28 -9.956 3.072 10.843 221 HG3 MET 28 HG1 MET 28 -9.886 4.082 12.286 222 HE1 MET 28 HE1 MET 28 -11.945 2.821 13.384 223 HE2 MET 28 HE2 MET 28 -11.996 1.749 11.985 224 HE3 MET 28 HE3 MET 28 -13.471 2.535 12.546 225 H VAL 29 HN VAL 29 -8.198 4.527 7.871 226 HA VAL 29 HA VAL 29 -8.101 1.726 7.995 227 HB VAL 29 HB VAL 29 -7.269 3.529 5.712 228 HG11 VAL 29 HG11 VAL 29 -6.374 1.270 5.418 229 HG12 VAL 29 HG12 VAL 29 -7.669 1.584 4.263 230 HG13 VAL 29 HG13 VAL 29 -7.978 0.587 5.686 231 HG21 VAL 29 HG21 VAL 29 -9.537 3.110 4.858 232 HG22 VAL 29 HG22 VAL 29 -9.566 3.918 6.424 233 HG23 VAL 29 HG23 VAL 29 -9.913 2.192 6.318 234 H ALA 30 HN ALA 30 -5.457 4.067 7.467 235 HA ALA 30 HA ALA 30 -3.447 2.217 6.848 236 HB1 ALA 30 HB1 ALA 30 -3.114 4.890 8.211 237 HB2 ALA 30 HB2 ALA 30 -3.221 4.626 6.471 238 HB3 ALA 30 HB3 ALA 30 -1.854 3.980 7.378 239 H VAL 31 HN VAL 31 -4.285 3.599 10.057 240 HA VAL 31 HA VAL 31 -2.337 2.109 11.477 241 HB VAL 31 HB VAL 31 -3.400 4.096 12.458 242 HG11 VAL 31 HG11 VAL 31 -5.684 3.792 11.680 243 HG12 VAL 31 HG12 VAL 31 -5.644 3.984 13.433 244 HG13 VAL 31 HG13 VAL 31 -5.870 2.382 12.727 245 HG21 VAL 31 HG21 VAL 31 -2.300 2.499 13.928 246 HG22 VAL 31 HG22 VAL 31 -3.801 1.586 14.091 247 HG23 VAL 31 HG23 VAL 31 -3.690 3.224 14.736 248 H LEU 32 HN LEU 32 -5.714 1.399 10.638 249 HA LEU 32 HA LEU 32 -5.960 -0.996 12.113 250 HB2 LEU 32 HB2 LEU 32 -7.334 -0.150 9.558 251 HB3 LEU 32 HB1 LEU 32 -7.791 -1.552 10.507 252 HG LEU 32 HG LEU 32 -7.954 1.337 11.385 253 HD11 LEU 32 HD11 LEU 32 -9.700 0.706 9.815 254 HD12 LEU 32 HD12 LEU 32 -10.372 0.922 11.430 255 HD13 LEU 32 HD13 LEU 32 -10.104 -0.702 10.798 256 HD21 LEU 32 HD21 LEU 32 -8.622 -1.185 12.913 257 HD22 LEU 32 HD22 LEU 32 -9.019 0.453 13.430 258 HD23 LEU 32 HD23 LEU 32 -7.333 -0.039 13.286 259 H GLU 33 HN GLU 33 -4.602 -0.354 8.916 260 HA GLU 33 HA GLU 33 -4.240 -3.049 8.125 261 HB2 GLU 33 HB2 GLU 33 -2.602 -0.608 7.384 262 HB3 GLU 33 HB1 GLU 33 -2.517 -2.167 6.573 263 HG2 GLU 33 HG2 GLU 33 -4.966 -1.906 6.037 264 HG3 GLU 33 HG1 GLU 33 -4.844 -0.253 6.637 265 H VAL 34 HN VAL 34 -2.335 -0.891 10.153 266 HA VAL 34 HA VAL 34 -0.028 -2.493 10.427 267 HB VAL 34 HB VAL 34 -1.230 -0.627 12.495 268 HG11 VAL 34 HG11 VAL 34 0.465 -2.081 13.462 269 HG12 VAL 34 HG12 VAL 34 1.076 -0.431 13.331 270 HG13 VAL 34 HG13 VAL 34 1.591 -1.655 12.171 271 HG21 VAL 34 HG21 VAL 34 0.798 -0.060 10.333 272 HG22 VAL 34 HG22 VAL 34 0.247 1.075 11.567 273 HG23 VAL 34 HG23 VAL 34 -0.881 0.484 10.346 274 H ILE 35 HN ILE 35 -2.931 -2.277 12.519 275 HA ILE 35 HA ILE 35 -2.322 -4.397 14.245 276 HB ILE 35 HB ILE 35 -4.968 -3.266 13.332 277 HG12 ILE 35 HG12 ILE 35 -5.089 -2.535 15.721 278 HG13 ILE 35 HG11 ILE 35 -3.488 -3.215 15.980 279 HG21 ILE 35 HG21 ILE 35 -5.407 -5.612 13.765 280 HG22 ILE 35 HG22 ILE 35 -6.089 -4.628 15.060 281 HG23 ILE 35 HG23 ILE 35 -4.583 -5.509 15.321 282 HD11 ILE 35 HD11 ILE 35 -4.156 -0.953 14.111 283 HD12 ILE 35 HD12 ILE 35 -2.546 -1.616 14.410 284 HD13 ILE 35 HD13 ILE 35 -3.420 -0.804 15.708 285 H SER 36 HN SER 36 -4.040 -4.449 11.130 286 HA SER 36 HA SER 36 -4.653 -7.176 11.019 287 HB2 SER 36 HB2 SER 36 -5.594 -5.654 9.390 288 HB3 SER 36 HB1 SER 36 -3.992 -5.251 8.773 289 HG SER 36 HG SER 36 -4.568 -7.948 8.737 290 H SER 37 HN SER 37 -1.710 -5.472 10.007 291 HA SER 37 HA SER 37 -0.337 -7.750 9.006 292 HB2 SER 37 HB2 SER 37 0.768 -5.143 10.094 293 HB3 SER 37 HB1 SER 37 1.695 -6.336 9.185 294 HG SER 37 HG SER 37 -0.597 -4.939 8.233 295 H LEU 38 HN LEU 38 -0.413 -6.173 12.172 296 HA LEU 38 HA LEU 38 1.562 -7.679 13.455 297 HB2 LEU 38 HB2 LEU 38 -0.680 -5.941 14.272 298 HB3 LEU 38 HB1 LEU 38 -0.146 -7.073 15.489 299 HG LEU 38 HG LEU 38 2.107 -6.159 15.430 300 HD11 LEU 38 HD11 LEU 38 2.673 -4.209 14.081 301 HD12 LEU 38 HD12 LEU 38 1.083 -4.263 13.320 302 HD13 LEU 38 HD13 LEU 38 2.229 -5.579 13.063 303 HD21 LEU 38 HD21 LEU 38 0.490 -5.111 16.929 304 HD22 LEU 38 HD22 LEU 38 0.012 -3.994 15.650 305 HD23 LEU 38 HD23 LEU 38 1.642 -3.926 16.318 306 H GLU 39 HN GLU 39 -1.803 -8.460 12.794 307 HA GLU 39 HA GLU 39 -2.043 -10.732 14.443 308 HB2 GLU 39 HB2 GLU 39 -3.333 -10.075 11.790 309 HB3 GLU 39 HB1 GLU 39 -3.765 -11.483 12.751 310 HG2 GLU 39 HG2 GLU 39 -4.432 -9.998 14.597 311 HG3 GLU 39 HG1 GLU 39 -4.042 -8.599 13.594 312 H LYS 40 HN LYS 40 -0.642 -10.340 11.217 313 HA LYS 40 HA LYS 40 -0.143 -13.225 11.003 314 HB2 LYS 40 HB2 LYS 40 0.604 -11.097 8.990 315 HB3 LYS 40 HB1 LYS 40 0.404 -12.821 8.716 316 HG2 LYS 40 HG2 LYS 40 -1.804 -10.876 9.391 317 HG3 LYS 40 HG1 LYS 40 -1.453 -11.532 7.792 318 HD2 LYS 40 HD2 LYS 40 -1.922 -13.806 8.644 319 HD3 LYS 40 HD1 LYS 40 -2.318 -13.116 10.219 320 HE2 LYS 40 HE2 LYS 40 -4.164 -11.871 9.243 321 HE3 LYS 40 HE1 LYS 40 -3.743 -12.461 7.636 322 HZ1 LYS 40 HZ1 LYS 40 -4.622 -14.156 9.908 323 HZ2 LYS 40 HZ2 LYS 40 -4.258 -14.701 8.351 324 HZ3 LYS 40 HZ3 LYS 40 -5.589 -13.690 8.605 325 H TYR 41 HN TYR 41 1.516 -10.301 11.777 326 HA TYR 41 HA TYR 41 4.022 -11.780 12.134 327 HB2 TYR 41 HB2 TYR 41 3.645 -9.287 10.508 328 HB3 TYR 41 HB1 TYR 41 5.157 -9.523 11.375 329 HD1 TYR 41 HD1 TYR 41 3.272 -10.367 8.420 330 HD2 TYR 41 HD2 TYR 41 6.496 -11.621 10.908 331 HE1 TYR 41 HE1 TYR 41 4.125 -11.786 6.600 332 HE2 TYR 41 HE2 TYR 41 7.352 -13.037 9.096 333 HH TYR 41 HH TYR 41 6.329 -12.775 5.915 334 HA PRO 42 HA PRO 42 3.436 -9.483 16.019 335 HB2 PRO 42 HB2 PRO 42 5.019 -11.079 17.528 336 HB3 PRO 42 HB1 PRO 42 3.360 -11.521 17.104 337 HG2 PRO 42 HG2 PRO 42 5.935 -12.414 15.848 338 HG3 PRO 42 HG1 PRO 42 4.510 -13.378 16.279 339 HD2 PRO 42 HD2 PRO 42 5.003 -12.520 13.742 340 HD3 PRO 42 HD1 PRO 42 3.361 -12.763 14.375 341 H ILE 43 HN ILE 43 4.600 -7.713 16.538 342 HA ILE 43 HA ILE 43 7.038 -6.993 15.413 343 HB ILE 43 HB ILE 43 5.856 -6.011 18.027 344 HG12 ILE 43 HG12 ILE 43 5.529 -4.976 15.192 345 HG13 ILE 43 HG11 ILE 43 4.292 -5.791 16.143 346 HG21 ILE 43 HG21 ILE 43 7.891 -4.716 16.206 347 HG22 ILE 43 HG22 ILE 43 8.202 -5.377 17.811 348 HG23 ILE 43 HG23 ILE 43 7.161 -3.965 17.626 349 HD11 ILE 43 HD11 ILE 43 4.296 -3.938 17.731 350 HD12 ILE 43 HD12 ILE 43 3.927 -3.401 16.093 351 HD13 ILE 43 HD13 ILE 43 5.531 -3.122 16.772 352 H THR 44 HN THR 44 9.197 -6.929 16.227 353 HA THR 44 HA THR 44 9.932 -9.221 17.754 354 HB THR 44 HB THR 44 11.763 -6.906 17.079 355 HG1 THR 44 HG1 THR 44 12.025 -8.809 15.274 356 HG21 THR 44 HG21 THR 44 12.704 -8.601 18.581 357 HG22 THR 44 HG22 THR 44 13.478 -8.671 16.998 358 HG23 THR 44 HG23 THR 44 12.262 -9.868 17.437 359 H LYS 45 HN LYS 45 11.341 -9.091 19.738 360 HA LYS 45 HA LYS 45 9.675 -7.800 21.679 361 HB2 LYS 45 HB2 LYS 45 12.174 -9.464 22.082 362 HB3 LYS 45 HB1 LYS 45 11.050 -8.986 23.343 363 HG2 LYS 45 HG2 LYS 45 10.472 -11.196 22.882 364 HG3 LYS 45 HG1 LYS 45 9.269 -10.254 22.009 365 HD2 LYS 45 HD2 LYS 45 11.619 -10.811 20.372 366 HD3 LYS 45 HD1 LYS 45 10.869 -12.288 20.970 367 HE2 LYS 45 HE2 LYS 45 9.380 -10.088 19.534 368 HE3 LYS 45 HE1 LYS 45 10.034 -11.520 18.743 369 HZ1 LYS 45 HZ1 LYS 45 7.995 -11.524 20.901 370 HZ2 LYS 45 HZ2 LYS 45 8.611 -12.892 20.122 371 HZ3 LYS 45 HZ3 LYS 45 7.693 -11.768 19.256 372 H GLU 46 HN GLU 46 13.105 -7.509 20.802 373 HA GLU 46 HA GLU 46 13.727 -5.496 22.703 374 HB2 GLU 46 HB2 GLU 46 15.410 -6.952 21.648 375 HB3 GLU 46 HB1 GLU 46 15.101 -6.183 20.098 376 HG2 GLU 46 HG2 GLU 46 15.881 -4.039 21.042 377 HG3 GLU 46 HG1 GLU 46 16.261 -4.869 22.552 378 H ALA 47 HN ALA 47 12.539 -5.402 19.394 379 HA ALA 47 HA ALA 47 13.072 -2.755 18.721 380 HB1 ALA 47 HB1 ALA 47 10.680 -4.384 17.862 381 HB2 ALA 47 HB2 ALA 47 12.286 -4.481 17.142 382 HB3 ALA 47 HB3 ALA 47 11.357 -2.985 17.026 383 H LEU 48 HN LEU 48 10.428 -4.084 20.643 384 HA LEU 48 HA LEU 48 8.728 -1.857 20.683 385 HB2 LEU 48 HB2 LEU 48 8.190 -4.148 21.512 386 HB3 LEU 48 HB1 LEU 48 9.207 -3.857 22.908 387 HG LEU 48 HG LEU 48 6.841 -2.072 22.337 388 HD11 LEU 48 HD11 LEU 48 5.462 -3.490 23.756 389 HD12 LEU 48 HD12 LEU 48 6.777 -4.656 23.903 390 HD13 LEU 48 HD13 LEU 48 6.009 -4.384 22.338 391 HD21 LEU 48 HD21 LEU 48 8.427 -1.312 24.039 392 HD22 LEU 48 HD22 LEU 48 8.263 -2.845 24.893 393 HD23 LEU 48 HD23 LEU 48 6.885 -1.752 24.771 394 H GLU 49 HN GLU 49 11.389 -2.712 22.902 395 HA GLU 49 HA GLU 49 11.259 -0.265 24.373 396 HB2 GLU 49 HB2 GLU 49 13.365 -2.416 24.157 397 HB3 GLU 49 HB1 GLU 49 13.564 -0.997 25.176 398 HG2 GLU 49 HG2 GLU 49 11.339 -3.021 25.420 399 HG3 GLU 49 HG1 GLU 49 12.786 -2.960 26.427 400 H GLU 50 HN GLU 50 13.305 -1.423 21.724 401 HA GLU 50 HA GLU 50 15.220 0.601 21.717 402 HB2 GLU 50 HB2 GLU 50 15.342 -1.570 20.472 403 HB3 GLU 50 HB1 GLU 50 14.199 -0.922 19.305 404 HG2 GLU 50 HG2 GLU 50 16.311 -0.671 18.320 405 HG3 GLU 50 HG1 GLU 50 15.877 0.938 18.896 406 H THR 51 HN THR 51 12.305 0.369 19.662 407 HA THR 51 HA THR 51 12.658 3.215 18.951 408 HB THR 51 HB THR 51 11.239 2.714 16.957 409 HG1 THR 51 HG1 THR 51 11.636 -0.010 17.703 410 HG21 THR 51 HG21 THR 51 12.979 1.503 15.707 411 HG22 THR 51 HG22 THR 51 13.743 1.040 17.228 412 HG23 THR 51 HG23 THR 51 13.677 2.739 16.755 413 H ARG 52 HN ARG 52 11.005 1.520 21.108 414 HA ARG 52 HA ARG 52 9.283 2.001 22.460 415 HB2 ARG 52 HB2 ARG 52 9.542 4.645 21.058 416 HB3 ARG 52 HB1 ARG 52 8.319 4.382 22.300 417 HG2 ARG 52 HG2 ARG 52 11.288 3.969 22.684 418 HG3 ARG 52 HG1 ARG 52 10.386 5.403 23.188 419 HD2 ARG 52 HD2 ARG 52 9.380 4.325 24.940 420 HD3 ARG 52 HD1 ARG 52 9.364 2.766 24.115 421 HE ARG 52 HE ARG 52 11.956 3.764 24.992 422 HH11 ARG 52 HH11 ARG 52 9.259 1.728 25.637 423 HH12 ARG 52 HH12 ARG 52 10.164 0.648 26.640 424 HH21 ARG 52 HH21 ARG 52 13.115 2.361 26.318 425 HH22 ARG 52 HH22 ARG 52 12.300 1.015 27.042 426 H LEU 53 HN LEU 53 8.613 0.500 20.171 427 HA LEU 53 HA LEU 53 6.065 1.173 19.176 428 HB2 LEU 53 HB2 LEU 53 7.500 -1.411 19.614 429 HB3 LEU 53 HB1 LEU 53 5.785 -1.467 19.265 430 HG LEU 53 HG LEU 53 7.087 -1.795 17.236 431 HD11 LEU 53 HD11 LEU 53 4.926 -0.672 17.060 432 HD12 LEU 53 HD12 LEU 53 6.052 -0.103 15.829 433 HD13 LEU 53 HD13 LEU 53 5.718 0.895 17.245 434 HD21 LEU 53 HD21 LEU 53 9.104 -0.580 17.876 435 HD22 LEU 53 HD22 LEU 53 8.232 0.948 17.762 436 HD23 LEU 53 HD23 LEU 53 8.494 -0.028 16.316 437 H GLY 54 HN GLY 54 6.960 0.737 22.369 438 HA2 GLY 54 HA2 GLY 54 4.781 -0.552 23.547 439 HA3 GLY 54 HA1 GLY 54 5.751 0.688 24.316 440 H LYS 55 HN LYS 55 5.071 2.798 22.402 441 HA LYS 55 HA LYS 55 2.699 3.816 23.498 442 HB2 LYS 55 HB2 LYS 55 4.234 5.326 22.410 443 HB3 LYS 55 HB1 LYS 55 4.060 4.485 20.874 444 HG2 LYS 55 HG2 LYS 55 1.738 5.210 20.713 445 HG3 LYS 55 HG1 LYS 55 1.859 6.003 22.282 446 HD2 LYS 55 HD2 LYS 55 3.546 6.731 19.882 447 HD3 LYS 55 HD1 LYS 55 2.041 7.544 20.312 448 HE2 LYS 55 HE2 LYS 55 3.062 8.080 22.536 449 HE3 LYS 55 HE1 LYS 55 4.586 7.428 21.933 450 HZ1 LYS 55 HZ1 LYS 55 4.550 9.098 20.175 451 HZ2 LYS 55 HZ2 LYS 55 4.510 9.822 21.702 452 HZ3 LYS 55 HZ3 LYS 55 3.099 9.726 20.780 453 H LEU 56 HN LEU 56 3.226 1.775 20.676 454 HA LEU 56 HA LEU 56 0.729 1.956 19.451 455 HB2 LEU 56 HB2 LEU 56 2.701 0.842 18.478 456 HB3 LEU 56 HB1 LEU 56 2.547 -0.453 19.642 457 HG LEU 56 HG LEU 56 1.715 -0.838 17.225 458 HD11 LEU 56 HD11 LEU 56 -0.106 -1.515 19.534 459 HD12 LEU 56 HD12 LEU 56 1.322 -2.423 19.034 460 HD13 LEU 56 HD13 LEU 56 -0.074 -2.317 17.962 461 HD21 LEU 56 HD21 LEU 56 -0.674 0.670 18.296 462 HD22 LEU 56 HD22 LEU 56 -0.577 -0.184 16.756 463 HD23 LEU 56 HD23 LEU 56 0.420 1.243 17.037 464 H ILE 57 HN ILE 57 1.710 0.117 22.300 465 HA ILE 57 HA ILE 57 -0.508 -1.592 22.518 466 HB ILE 57 HB ILE 57 1.145 -0.339 24.725 467 HG12 ILE 57 HG12 ILE 57 1.392 -3.038 23.355 468 HG13 ILE 57 HG11 ILE 57 2.462 -1.662 23.104 469 HG21 ILE 57 HG21 ILE 57 0.365 -2.173 26.149 470 HG22 ILE 57 HG22 ILE 57 -0.681 -2.744 24.849 471 HG23 ILE 57 HG23 ILE 57 -0.981 -1.174 25.596 472 HD11 ILE 57 HD11 ILE 57 3.182 -1.796 25.433 473 HD12 ILE 57 HD12 ILE 57 3.469 -3.308 24.572 474 HD13 ILE 57 HD13 ILE 57 2.108 -3.173 25.685 475 H ASN 58 HN ASN 58 -0.016 1.678 23.877 476 HA ASN 58 HA ASN 58 -2.696 1.928 24.859 477 HB2 ASN 58 HB2 ASN 58 -0.796 3.258 25.753 478 HB3 ASN 58 HB1 ASN 58 -0.689 4.104 24.211 479 HD21 ASN 58 HD21 ASN 58 -1.112 6.091 25.104 480 HD22 ASN 58 HD22 ASN 58 -2.668 6.534 25.708 481 H ASP 59 HN ASP 59 -1.024 2.868 21.924 482 HA ASP 59 HA ASP 59 -2.898 4.580 20.775 483 HB2 ASP 59 HB2 ASP 59 -0.556 4.335 20.037 484 HB3 ASP 59 HB1 ASP 59 -0.916 2.724 19.426 485 H VAL 60 HN VAL 60 -2.523 1.061 20.412 486 HA VAL 60 HA VAL 60 -4.789 0.797 18.675 487 HB VAL 60 HB VAL 60 -2.919 -0.828 18.618 488 HG11 VAL 60 HG11 VAL 60 -2.443 -0.953 21.017 489 HG12 VAL 60 HG12 VAL 60 -2.704 -2.553 20.326 490 HG13 VAL 60 HG13 VAL 60 -3.974 -1.789 21.282 491 HG21 VAL 60 HG21 VAL 60 -5.579 -2.081 19.315 492 HG22 VAL 60 HG22 VAL 60 -4.278 -2.845 18.400 493 HG23 VAL 60 HG23 VAL 60 -5.121 -1.446 17.734 494 H ARG 61 HN ARG 61 -4.233 0.444 22.151 495 HA ARG 61 HA ARG 61 -6.571 -0.879 22.871 496 HB2 ARG 61 HB2 ARG 61 -4.727 -0.491 24.425 497 HB3 ARG 61 HB1 ARG 61 -5.054 1.236 24.416 498 HG2 ARG 61 HG2 ARG 61 -7.237 0.830 25.456 499 HG3 ARG 61 HG1 ARG 61 -6.907 -0.905 25.467 500 HD2 ARG 61 HD2 ARG 61 -6.469 0.125 27.652 501 HD3 ARG 61 HD1 ARG 61 -5.000 -0.550 26.944 502 HE ARG 61 HE ARG 61 -4.977 2.065 26.175 503 HH11 ARG 61 HH11 ARG 61 -5.223 0.467 29.212 504 HH12 ARG 61 HH12 ARG 61 -4.420 1.736 30.065 505 HH21 ARG 61 HH21 ARG 61 -3.962 3.692 27.291 506 HH22 ARG 61 HH22 ARG 61 -3.728 3.542 28.993 507 H LYS 62 HN LYS 62 -6.054 2.613 22.405 508 HA LYS 62 HA LYS 62 -8.827 3.214 23.062 509 HB2 LYS 62 HB2 LYS 62 -6.599 5.002 22.055 510 HB3 LYS 62 HB1 LYS 62 -8.184 5.557 22.575 511 HG2 LYS 62 HG2 LYS 62 -7.739 4.765 24.839 512 HG3 LYS 62 HG1 LYS 62 -6.162 4.158 24.326 513 HD2 LYS 62 HD2 LYS 62 -5.435 6.415 23.777 514 HD3 LYS 62 HD1 LYS 62 -7.029 7.052 24.180 515 HE2 LYS 62 HE2 LYS 62 -5.168 5.676 26.121 516 HE3 LYS 62 HE1 LYS 62 -5.369 7.420 25.970 517 HZ1 LYS 62 HZ1 LYS 62 -6.676 6.536 27.787 518 HZ2 LYS 62 HZ2 LYS 62 -7.493 5.497 26.737 519 HZ3 LYS 62 HZ3 LYS 62 -7.691 7.170 26.594 520 H LYS 63 HN LYS 63 -6.832 2.951 20.146 521 HA LYS 63 HA LYS 63 -9.076 3.964 18.522 522 HB2 LYS 63 HB2 LYS 63 -6.133 3.869 17.845 523 HB3 LYS 63 HB1 LYS 63 -7.402 4.529 16.818 524 HG2 LYS 63 HG2 LYS 63 -7.931 6.162 18.631 525 HG3 LYS 63 HG1 LYS 63 -6.522 5.569 19.507 526 HD2 LYS 63 HD2 LYS 63 -6.388 6.708 16.717 527 HD3 LYS 63 HD1 LYS 63 -6.175 7.679 18.168 528 HE2 LYS 63 HE2 LYS 63 -4.017 7.098 17.299 529 HE3 LYS 63 HE1 LYS 63 -4.272 6.224 18.806 530 HZ1 LYS 63 HZ1 LYS 63 -3.268 4.925 16.934 531 HZ2 LYS 63 HZ2 LYS 63 -4.765 5.006 16.153 532 HZ3 LYS 63 HZ3 LYS 63 -4.631 4.224 17.645 533 H THR 64 HN THR 64 -8.417 1.063 19.424 534 HA THR 64 HA THR 64 -7.683 -0.430 17.143 535 HB THR 64 HB THR 64 -7.554 -1.495 19.296 536 HG1 THR 64 HG1 THR 64 -9.015 -3.391 18.807 537 HG21 THR 64 HG21 THR 64 -10.563 -1.209 19.434 538 HG22 THR 64 HG22 THR 64 -9.389 -0.351 20.432 539 HG23 THR 64 HG23 THR 64 -9.568 -2.098 20.585 540 H LYS 65 HN LYS 65 -8.957 -1.918 15.915 541 HA LYS 65 HA LYS 65 -11.205 -0.858 14.622 542 HB2 LYS 65 HB2 LYS 65 -9.477 -2.903 14.139 543 HB3 LYS 65 HB1 LYS 65 -10.878 -3.821 14.665 544 HG2 LYS 65 HG2 LYS 65 -10.966 -1.780 12.449 545 HG3 LYS 65 HG1 LYS 65 -10.629 -3.490 12.190 546 HD2 LYS 65 HD2 LYS 65 -12.824 -4.054 13.187 547 HD3 LYS 65 HD1 LYS 65 -13.163 -2.327 13.366 548 HE2 LYS 65 HE2 LYS 65 -13.003 -2.034 10.947 549 HE3 LYS 65 HE1 LYS 65 -12.595 -3.740 10.754 550 HZ1 LYS 65 HZ1 LYS 65 -14.768 -4.338 11.564 551 HZ2 LYS 65 HZ2 LYS 65 -14.926 -3.267 10.267 552 HZ3 LYS 65 HZ3 LYS 65 -15.159 -2.718 11.850 553 H ASN 66 HN ASN 66 -11.065 -3.676 16.793 554 HA ASN 66 HA ASN 66 -13.714 -2.952 17.872 555 HB2 ASN 66 HB2 ASN 66 -14.029 -4.911 16.508 556 HB3 ASN 66 HB1 ASN 66 -12.620 -5.698 17.211 557 HD21 ASN 66 HD21 ASN 66 -15.927 -4.733 17.766 558 HD22 ASN 66 HD22 ASN 66 -16.186 -5.748 19.143 559 H GLU 67 HN GLU 67 -13.723 -2.619 20.035 560 HA GLU 67 HA GLU 67 -11.304 -2.643 21.505 561 HB2 GLU 67 HB2 GLU 67 -12.606 -1.930 23.429 562 HB3 GLU 67 HB1 GLU 67 -13.110 -1.053 21.994 563 HG2 GLU 67 HG2 GLU 67 -14.577 -3.433 23.121 564 HG3 GLU 67 HG1 GLU 67 -14.962 -1.757 23.504 565 H GLU 68 HN GLU 68 -14.011 -4.925 21.441 566 HA GLU 68 HA GLU 68 -13.307 -6.574 23.592 567 HB2 GLU 68 HB2 GLU 68 -14.441 -7.474 20.931 568 HB3 GLU 68 HB1 GLU 68 -14.566 -8.327 22.462 569 HG2 GLU 68 HG2 GLU 68 -16.083 -6.762 23.339 570 HG3 GLU 68 HG1 GLU 68 -15.709 -5.575 22.088 571 H LEU 69 HN LEU 69 -12.158 -6.527 20.268 572 HA LEU 69 HA LEU 69 -10.545 -8.820 20.297 573 HB2 LEU 69 HB2 LEU 69 -11.280 -7.496 18.294 574 HB3 LEU 69 HB1 LEU 69 -10.093 -6.280 18.711 575 HG LEU 69 HG LEU 69 -9.255 -9.130 18.165 576 HD11 LEU 69 HD11 LEU 69 -8.862 -8.515 15.831 577 HD12 LEU 69 HD12 LEU 69 -9.612 -6.943 16.111 578 HD13 LEU 69 HD13 LEU 69 -10.575 -8.415 16.238 579 HD21 LEU 69 HD21 LEU 69 -7.142 -8.061 17.513 580 HD22 LEU 69 HD22 LEU 69 -7.577 -7.669 19.175 581 HD23 LEU 69 HD23 LEU 69 -7.822 -6.478 17.897 582 H ALA 70 HN ALA 70 -9.900 -5.529 21.404 583 HA ALA 70 HA ALA 70 -7.115 -5.592 21.579 584 HB1 ALA 70 HB1 ALA 70 -9.043 -4.160 23.408 585 HB2 ALA 70 HB2 ALA 70 -8.431 -3.558 21.868 586 HB3 ALA 70 HB3 ALA 70 -7.328 -3.795 23.223 587 H LYS 71 HN LYS 71 -9.505 -6.682 23.983 588 HA LYS 71 HA LYS 71 -7.713 -7.397 26.035 589 HB2 LYS 71 HB2 LYS 71 -10.380 -8.665 25.345 590 HB3 LYS 71 HB1 LYS 71 -9.548 -8.796 26.892 591 HG2 LYS 71 HG2 LYS 71 -9.808 -6.423 27.284 592 HG3 LYS 71 HG1 LYS 71 -10.526 -6.206 25.686 593 HD2 LYS 71 HD2 LYS 71 -12.410 -7.647 26.348 594 HD3 LYS 71 HD1 LYS 71 -11.695 -7.841 27.951 595 HE2 LYS 71 HE2 LYS 71 -11.909 -5.451 28.361 596 HE3 LYS 71 HE1 LYS 71 -12.536 -5.204 26.732 597 HZ1 LYS 71 HZ1 LYS 71 -13.851 -6.839 28.830 598 HZ2 LYS 71 HZ2 LYS 71 -14.461 -6.518 27.290 599 HZ3 LYS 71 HZ3 LYS 71 -14.293 -5.263 28.408 600 H ARG 72 HN ARG 72 -8.890 -9.160 23.233 601 HA ARG 72 HA ARG 72 -7.546 -11.628 23.752 602 HB2 ARG 72 HB2 ARG 72 -9.545 -11.307 22.263 603 HB3 ARG 72 HB1 ARG 72 -8.512 -10.481 21.112 604 HG2 ARG 72 HG2 ARG 72 -7.981 -13.316 21.963 605 HG3 ARG 72 HG1 ARG 72 -9.115 -12.928 20.672 606 HD2 ARG 72 HD2 ARG 72 -7.038 -11.526 19.778 607 HD3 ARG 72 HD1 ARG 72 -6.145 -12.710 20.734 608 HE ARG 72 HE ARG 72 -8.090 -13.557 18.696 609 HH11 ARG 72 HH11 ARG 72 -4.926 -13.698 20.045 610 HH12 ARG 72 HH12 ARG 72 -4.374 -14.860 18.891 611 HH21 ARG 72 HH21 ARG 72 -7.387 -15.026 17.238 612 HH22 ARG 72 HH22 ARG 72 -5.766 -15.619 17.314 613 H ALA 73 HN ALA 73 -6.718 -8.658 22.065 614 HA ALA 73 HA ALA 73 -4.423 -9.494 20.684 615 HB1 ALA 73 HB1 ALA 73 -3.877 -7.121 20.503 616 HB2 ALA 73 HB2 ALA 73 -5.065 -6.743 21.751 617 HB3 ALA 73 HB3 ALA 73 -5.592 -7.400 20.202 618 H LYS 74 HN LYS 74 -4.868 -8.538 24.026 619 HA LYS 74 HA LYS 74 -2.293 -7.871 24.793 620 HB2 LYS 74 HB2 LYS 74 -4.299 -7.700 26.240 621 HB3 LYS 74 HB1 LYS 74 -4.296 -9.449 26.427 622 HG2 LYS 74 HG2 LYS 74 -2.100 -9.326 27.517 623 HG3 LYS 74 HG1 LYS 74 -2.116 -7.572 27.337 624 HD2 LYS 74 HD2 LYS 74 -4.102 -9.203 28.932 625 HD3 LYS 74 HD1 LYS 74 -2.774 -8.253 29.600 626 HE2 LYS 74 HE2 LYS 74 -3.786 -6.209 28.652 627 HE3 LYS 74 HE1 LYS 74 -5.130 -7.174 28.042 628 HZ1 LYS 74 HZ1 LYS 74 -4.395 -6.839 30.898 629 HZ2 LYS 74 HZ2 LYS 74 -5.677 -7.778 30.322 630 HZ3 LYS 74 HZ3 LYS 74 -5.698 -6.101 30.117 631 H LYS 75 HN LYS 75 -3.685 -11.094 24.373 632 HA LYS 75 HA LYS 75 -1.623 -12.686 25.370 633 HB2 LYS 75 HB2 LYS 75 -3.329 -13.215 22.917 634 HB3 LYS 75 HB1 LYS 75 -2.441 -14.426 23.831 635 HG2 LYS 75 HG2 LYS 75 -4.686 -12.751 24.952 636 HG3 LYS 75 HG1 LYS 75 -4.874 -14.384 24.307 637 HD2 LYS 75 HD2 LYS 75 -3.257 -15.198 26.007 638 HD3 LYS 75 HD1 LYS 75 -3.186 -13.568 26.682 639 HE2 LYS 75 HE2 LYS 75 -5.559 -13.658 27.209 640 HE3 LYS 75 HE1 LYS 75 -5.686 -15.250 26.459 641 HZ1 LYS 75 HZ1 LYS 75 -4.183 -16.116 28.135 642 HZ2 LYS 75 HZ2 LYS 75 -5.533 -15.411 28.860 643 HZ3 LYS 75 HZ3 LYS 75 -4.056 -14.592 28.855 644 H LEU 76 HN LEU 76 -1.974 -11.216 22.157 645 HA LEU 76 HA LEU 76 0.421 -12.257 21.043 646 HB2 LEU 76 HB2 LEU 76 -1.420 -11.370 19.674 647 HB3 LEU 76 HB1 LEU 76 -1.139 -9.766 20.323 648 HG LEU 76 HG LEU 76 1.112 -9.760 19.261 649 HD11 LEU 76 HD11 LEU 76 1.518 -12.155 19.191 650 HD12 LEU 76 HD12 LEU 76 1.637 -11.465 17.573 651 HD13 LEU 76 HD13 LEU 76 0.195 -12.367 18.042 652 HD21 LEU 76 HD21 LEU 76 0.327 -9.440 16.973 653 HD22 LEU 76 HD22 LEU 76 -0.808 -8.743 18.129 654 HD23 LEU 76 HD23 LEU 76 -1.174 -10.286 17.354 655 H LEU 77 HN LEU 77 -0.359 -9.220 22.712 656 HA LEU 77 HA LEU 77 2.119 -7.941 22.488 657 HB2 LEU 77 HB2 LEU 77 -0.077 -7.815 24.534 658 HB3 LEU 77 HB1 LEU 77 1.409 -6.921 24.791 659 HG LEU 77 HG LEU 77 1.039 -5.619 22.772 660 HD11 LEU 77 HD11 LEU 77 -0.047 -7.322 21.394 661 HD12 LEU 77 HD12 LEU 77 -0.985 -5.829 21.436 662 HD13 LEU 77 HD13 LEU 77 -1.492 -7.216 22.401 663 HD21 LEU 77 HD21 LEU 77 -0.946 -4.385 23.460 664 HD22 LEU 77 HD22 LEU 77 0.026 -4.841 24.859 665 HD23 LEU 77 HD23 LEU 77 -1.449 -5.733 24.481 666 H ARG 78 HN ARG 78 1.033 -10.363 24.850 667 HA ARG 78 HA ARG 78 3.279 -10.382 26.527 668 HB2 ARG 78 HB2 ARG 78 1.503 -12.690 25.699 669 HB3 ARG 78 HB1 ARG 78 2.661 -12.754 27.019 670 HG2 ARG 78 HG2 ARG 78 0.278 -10.909 26.870 671 HG3 ARG 78 HG1 ARG 78 0.366 -12.403 27.803 672 HD2 ARG 78 HD2 ARG 78 2.257 -11.444 29.091 673 HD3 ARG 78 HD1 ARG 78 2.059 -9.932 28.203 674 HE ARG 78 HE ARG 78 -0.389 -10.685 29.378 675 HH11 ARG 78 HH11 ARG 78 2.719 -9.478 30.295 676 HH12 ARG 78 HH12 ARG 78 2.088 -8.633 31.664 677 HH21 ARG 78 HH21 ARG 78 -1.159 -9.633 31.148 678 HH22 ARG 78 HH22 ARG 78 -0.079 -8.722 32.149 679 H SER 79 HN SER 79 2.792 -11.818 23.355 680 HA SER 79 HA SER 79 5.082 -13.465 23.264 681 HB2 SER 79 HB2 SER 79 3.723 -12.045 20.951 682 HB3 SER 79 HB1 SER 79 4.820 -13.418 20.821 683 HG SER 79 HG SER 79 2.241 -13.359 22.013 684 H TRP 80 HN TRP 80 4.717 -10.019 22.979 685 HA TRP 80 HA TRP 80 7.465 -9.633 22.055 686 HB2 TRP 80 HB2 TRP 80 5.622 -7.466 23.080 687 HB3 TRP 80 HB1 TRP 80 6.987 -7.302 21.985 688 HD1 TRP 80 HD1 TRP 80 5.642 -9.925 20.194 689 HE1 TRP 80 HE1 TRP 80 3.815 -9.243 18.516 690 HE3 TRP 80 HE3 TRP 80 4.456 -5.330 22.091 691 HZ2 TRP 80 HZ2 TRP 80 2.110 -7.051 18.043 692 HZ3 TRP 80 HZ3 TRP 80 2.726 -3.993 20.964 693 HH2 TRP 80 HH2 TRP 80 1.574 -4.841 18.977 694 H GLN 81 HN GLN 81 5.487 -9.093 24.927 695 HA GLN 81 HA GLN 81 7.386 -7.835 26.562 696 HB2 GLN 81 HB2 GLN 81 4.962 -9.481 27.306 697 HB3 GLN 81 HB1 GLN 81 5.860 -8.467 28.427 698 HG2 GLN 81 HG2 GLN 81 4.456 -7.464 25.954 699 HG3 GLN 81 HG1 GLN 81 3.785 -7.422 27.583 700 HE21 GLN 81 HE21 GLN 81 6.152 -6.073 25.426 701 HE22 GLN 81 HE22 GLN 81 6.538 -4.701 26.398 702 H LYS 82 HN LYS 82 7.178 -11.155 25.688 703 HA LYS 82 HA LYS 82 7.999 -12.415 28.044 704 HB2 LYS 82 HB2 LYS 82 8.509 -14.341 26.677 705 HB3 LYS 82 HB1 LYS 82 7.044 -13.578 26.090 706 HG2 LYS 82 HG2 LYS 82 8.099 -14.036 24.112 707 HG3 LYS 82 HG1 LYS 82 8.689 -12.400 24.407 708 HD2 LYS 82 HD2 LYS 82 10.767 -13.305 25.336 709 HD3 LYS 82 HD1 LYS 82 10.167 -14.948 25.103 710 HE2 LYS 82 HE2 LYS 82 10.118 -14.609 22.692 711 HE3 LYS 82 HE1 LYS 82 10.639 -12.937 22.901 712 HZ1 LYS 82 HZ1 LYS 82 12.509 -14.269 22.303 713 HZ2 LYS 82 HZ2 LYS 82 12.202 -15.375 23.536 714 HZ3 LYS 82 HZ3 LYS 82 12.700 -13.807 23.915 715 H LEU 83 HN LEU 83 9.828 -10.292 26.151 716 HA LEU 83 HA LEU 83 12.417 -11.385 26.874 717 HB2 LEU 83 HB2 LEU 83 12.110 -10.141 24.768 718 HB3 LEU 83 HB1 LEU 83 11.677 -8.706 25.677 719 HG LEU 83 HG LEU 83 13.963 -8.651 26.647 720 HD11 LEU 83 HD11 LEU 83 15.715 -10.071 25.736 721 HD12 LEU 83 HD12 LEU 83 14.535 -10.917 24.734 722 HD13 LEU 83 HD13 LEU 83 14.457 -11.051 26.490 723 HD21 LEU 83 HD21 LEU 83 13.891 -8.710 23.625 724 HD22 LEU 83 HD22 LEU 83 15.111 -7.912 24.619 725 HD23 LEU 83 HD23 LEU 83 13.443 -7.340 24.644 726 H ILE 84 HN ILE 84 10.198 -8.921 28.051 727 HA ILE 84 HA ILE 84 12.083 -8.194 30.197 728 HB ILE 84 HB ILE 84 10.647 -6.247 30.620 729 HG12 ILE 84 HG12 ILE 84 9.050 -7.211 28.225 730 HG13 ILE 84 HG11 ILE 84 8.490 -7.213 29.894 731 HG21 ILE 84 HG21 ILE 84 11.173 -5.008 28.563 732 HG22 ILE 84 HG22 ILE 84 11.489 -6.530 27.731 733 HG23 ILE 84 HG23 ILE 84 12.515 -6.031 29.076 734 HD11 ILE 84 HD11 ILE 84 8.621 -4.775 29.941 735 HD12 ILE 84 HD12 ILE 84 7.561 -5.344 28.653 736 HD13 ILE 84 HD13 ILE 84 9.184 -4.772 28.270 737 H GLU 85 HN GLU 85 9.604 -10.310 29.706 738 HA GLU 85 HA GLU 85 8.948 -10.350 32.588 739 HB2 GLU 85 HB2 GLU 85 7.207 -11.184 30.253 740 HB3 GLU 85 HB1 GLU 85 6.822 -11.532 31.933 741 HG2 GLU 85 HG2 GLU 85 6.890 -9.048 32.351 742 HG3 GLU 85 HG1 GLU 85 6.991 -8.837 30.602 743 HA PRO 86 HA PRO 86 10.890 -14.299 32.840 744 HB2 PRO 86 HB2 PRO 86 9.335 -15.560 34.715 745 HB3 PRO 86 HB1 PRO 86 10.522 -14.310 35.101 746 HG2 PRO 86 HG2 PRO 86 7.553 -14.057 34.756 747 HG3 PRO 86 HG1 PRO 86 8.598 -13.350 36.003 748 HD2 PRO 86 HD2 PRO 86 7.737 -11.902 33.908 749 HD3 PRO 86 HD1 PRO 86 9.362 -11.670 34.591 750 H ALA 87 HN ALA 87 7.572 -14.092 31.894 751 HA ALA 87 HA ALA 87 7.287 -16.887 31.200 752 HB1 ALA 87 HB1 ALA 87 5.343 -15.545 31.891 753 HB2 ALA 87 HB2 ALA 87 5.127 -16.242 30.285 754 HB3 ALA 87 HB3 ALA 87 5.542 -14.536 30.458 755 H HIS 88 HN HIS 88 9.246 -16.995 29.865 756 HA HIS 88 HA HIS 88 9.532 -15.407 27.514 757 HB2 HIS 88 HB2 HIS 88 10.946 -17.867 28.518 758 HB3 HIS 88 HB1 HIS 88 11.328 -17.154 26.957 759 HD1 HIS 88 HD1 HIS 88 13.555 -16.087 27.341 760 HD2 HIS 88 HD2 HIS 88 10.847 -15.197 30.367 761 HE1 HIS 88 HE1 HIS 88 14.713 -14.421 28.812 762 HE2 HIS 88 HE2 HIS 88 13.125 -14.031 30.724 763 H GLN 89 HN GLN 89 7.574 -18.106 28.104 764 HA GLN 89 HA GLN 89 6.172 -19.319 26.803 765 HB2 GLN 89 HB2 GLN 89 5.450 -17.106 26.078 766 HB3 GLN 89 HB1 GLN 89 6.691 -17.081 24.834 767 HG2 GLN 89 HG2 GLN 89 4.561 -17.566 23.832 768 HG3 GLN 89 HG1 GLN 89 5.585 -18.997 23.733 769 HE21 GLN 89 HE21 GLN 89 2.778 -17.586 25.206 770 HE22 GLN 89 HE22 GLN 89 2.132 -19.051 25.845 771 H HIS 90 HN HIS 90 8.174 -18.177 24.079 772 HA HIS 90 HA HIS 90 8.040 -20.801 22.902 773 HB2 HIS 90 HB2 HIS 90 7.838 -18.685 21.599 774 HB3 HIS 90 HB1 HIS 90 9.531 -18.346 21.935 775 HD1 HIS 90 HD1 HIS 90 11.190 -19.282 20.310 776 HD2 HIS 90 HD2 HIS 90 7.465 -21.084 19.960 777 HE1 HIS 90 HE1 HIS 90 11.337 -20.737 18.275 778 HE2 HIS 90 HE2 HIS 90 9.021 -21.664 17.977 779 H GLU 91 HN GLU 91 10.153 -19.483 25.123 780 HA GLU 91 HA GLU 91 12.222 -21.456 24.445 781 HB2 GLU 91 HB2 GLU 91 13.956 -19.737 25.164 782 HB3 GLU 91 HB1 GLU 91 13.179 -19.458 23.608 783 HG2 GLU 91 HG2 GLU 91 11.648 -17.850 24.703 784 HG3 GLU 91 HG1 GLU 91 12.526 -18.085 26.212 785 H ALA 92 HN ALA 92 11.641 -22.831 26.069 786 HA ALA 92 HA ALA 92 11.644 -21.842 28.845 787 HB1 ALA 92 HB1 ALA 92 10.586 -23.982 29.418 788 HB2 ALA 92 HB2 ALA 92 10.682 -24.481 27.728 789 HB3 ALA 92 HB3 ALA 92 9.672 -23.109 28.187 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 7.055 1.180 -2.495 2 H2 MET 1 HT2 MET 1 5.556 1.619 -3.146 3 H3 MET 1 HT3 MET 1 6.560 0.550 -3.986 4 HA MET 1 HA MET 1 5.297 0.025 -1.360 5 HB2 MET 1 HB2 MET 1 3.720 0.095 -3.296 6 HB3 MET 1 HB1 MET 1 4.660 -1.173 -4.069 7 HG2 MET 1 HG2 MET 1 4.138 -2.689 -2.222 8 HG3 MET 1 HG1 MET 1 3.201 -1.414 -1.442 9 HE1 MET 1 HE1 MET 1 1.032 -2.927 -1.270 10 HE2 MET 1 HE2 MET 1 1.978 -4.254 -1.944 11 HE3 MET 1 HE3 MET 1 0.397 -3.866 -2.622 12 H THR 2 HN THR 2 6.720 -1.161 -0.219 13 HA THR 2 HA THR 2 8.574 -2.975 -1.607 14 HB THR 2 HB THR 2 8.591 -2.349 1.356 15 HG1 THR 2 HG1 THR 2 10.170 -0.928 -0.518 16 HG21 THR 2 HG21 THR 2 10.782 -3.157 -0.574 17 HG22 THR 2 HG22 THR 2 10.032 -4.197 0.639 18 HG23 THR 2 HG23 THR 2 11.003 -2.812 1.140 19 H ALA 3 HN ALA 3 5.564 -3.386 -0.774 20 HA ALA 3 HA ALA 3 4.200 -5.057 -0.046 21 HB1 ALA 3 HB1 ALA 3 5.032 -7.357 -0.044 22 HB2 ALA 3 HB2 ALA 3 6.693 -6.770 -0.138 23 HB3 ALA 3 HB3 ALA 3 5.584 -6.497 -1.482 24 H ALA 4 HN ALA 4 4.825 -7.214 1.805 25 HA ALA 4 HA ALA 4 4.567 -6.050 4.302 26 HB1 ALA 4 HB1 ALA 4 5.147 -8.222 5.237 27 HB2 ALA 4 HB2 ALA 4 5.846 -8.720 3.696 28 HB3 ALA 4 HB3 ALA 4 4.112 -8.421 3.822 29 HA PRO 5 HA PRO 5 8.527 -3.957 4.667 30 HB2 PRO 5 HB2 PRO 5 7.735 -4.019 7.553 31 HB3 PRO 5 HB1 PRO 5 8.299 -2.662 6.569 32 HG2 PRO 5 HG2 PRO 5 5.723 -2.893 7.159 33 HG3 PRO 5 HG1 PRO 5 6.224 -2.383 5.536 34 HD2 PRO 5 HD2 PRO 5 5.197 -5.037 6.460 35 HD3 PRO 5 HD1 PRO 5 4.904 -4.184 4.930 36 H ALA 6 HN ALA 6 7.673 -6.594 6.882 37 HA ALA 6 HA ALA 6 8.841 -8.362 7.694 38 HB1 ALA 6 HB1 ALA 6 11.133 -7.452 5.957 39 HB2 ALA 6 HB2 ALA 6 9.841 -8.542 5.455 40 HB3 ALA 6 HB3 ALA 6 10.959 -9.029 6.729 41 H SER 7 HN SER 7 10.948 -5.466 7.520 42 HA SER 7 HA SER 7 12.090 -6.078 10.123 43 HB2 SER 7 HB2 SER 7 13.576 -5.132 8.436 44 HB3 SER 7 HB1 SER 7 12.536 -3.715 8.277 45 HG SER 7 HG SER 7 14.548 -4.002 9.919 46 HA PRO 8 HA PRO 8 8.843 -3.985 12.330 47 HB2 PRO 8 HB2 PRO 8 10.863 -3.873 14.511 48 HB3 PRO 8 HB1 PRO 8 9.243 -4.575 14.510 49 HG2 PRO 8 HG2 PRO 8 11.380 -6.151 14.449 50 HG3 PRO 8 HG1 PRO 8 9.952 -6.538 13.467 51 HD2 PRO 8 HD2 PRO 8 12.536 -5.254 12.623 52 HD3 PRO 8 HD1 PRO 8 11.603 -6.536 11.818 53 H GLN 9 HN GLN 9 12.080 -2.602 12.084 54 HA GLN 9 HA GLN 9 11.609 -0.233 13.546 55 HB2 GLN 9 HB2 GLN 9 13.634 0.631 12.447 56 HB3 GLN 9 HB1 GLN 9 13.861 -0.999 13.060 57 HG2 GLN 9 HG2 GLN 9 13.482 -1.848 10.751 58 HG3 GLN 9 HG1 GLN 9 13.420 -0.177 10.195 59 HE21 GLN 9 HE21 GLN 9 15.553 -1.397 12.698 60 HE22 GLN 9 HE22 GLN 9 17.018 -1.161 11.819 61 H GLN 10 HN GLN 10 11.338 -0.873 10.065 62 HA GLN 10 HA GLN 10 10.604 1.784 9.358 63 HB2 GLN 10 HB2 GLN 10 9.853 0.675 7.190 64 HB3 GLN 10 HB1 GLN 10 11.545 0.503 7.631 65 HG2 GLN 10 HG2 GLN 10 10.897 -1.746 8.631 66 HG3 GLN 10 HG1 GLN 10 9.367 -1.558 7.774 67 HE21 GLN 10 HE21 GLN 10 12.804 -1.989 7.440 68 HE22 GLN 10 HE22 GLN 10 12.781 -2.465 5.785 69 H ILE 11 HN ILE 11 8.769 -0.996 10.427 70 HA ILE 11 HA ILE 11 6.189 -0.207 9.637 71 HB ILE 11 HB ILE 11 6.975 -1.766 12.117 72 HG12 ILE 11 HG12 ILE 11 6.207 -2.731 9.343 73 HG13 ILE 11 HG11 ILE 11 7.828 -2.771 10.027 74 HG21 ILE 11 HG21 ILE 11 4.688 -0.939 12.274 75 HG22 ILE 11 HG22 ILE 11 4.690 -2.683 12.018 76 HG23 ILE 11 HG23 ILE 11 4.318 -1.597 10.679 77 HD11 ILE 11 HD11 ILE 11 7.067 -4.341 11.733 78 HD12 ILE 11 HD12 ILE 11 6.779 -4.954 10.105 79 HD13 ILE 11 HD13 ILE 11 5.442 -4.297 11.049 80 H ARG 12 HN ARG 12 8.161 0.754 12.395 81 HA ARG 12 HA ARG 12 6.254 2.044 13.971 82 HB2 ARG 12 HB2 ARG 12 8.424 1.709 14.880 83 HB3 ARG 12 HB1 ARG 12 9.199 2.552 13.545 84 HG2 ARG 12 HG2 ARG 12 8.259 4.671 14.323 85 HG3 ARG 12 HG1 ARG 12 7.451 3.832 15.648 86 HD2 ARG 12 HD2 ARG 12 9.465 3.369 16.743 87 HD3 ARG 12 HD1 ARG 12 10.426 3.641 15.289 88 HE ARG 12 HE ARG 12 9.432 6.069 15.686 89 HH11 ARG 12 HH11 ARG 12 10.759 3.888 18.003 90 HH12 ARG 12 HH12 ARG 12 11.472 5.156 18.937 91 HH21 ARG 12 HH21 ARG 12 10.380 7.675 16.894 92 HH22 ARG 12 HH22 ARG 12 11.275 7.256 18.315 93 H ASP 13 HN ASP 13 8.202 3.409 11.295 94 HA ASP 13 HA ASP 13 7.241 6.040 11.423 95 HB2 ASP 13 HB2 ASP 13 9.192 5.304 10.064 96 HB3 ASP 13 HB1 ASP 13 8.093 4.502 8.948 97 H ARG 14 HN ARG 14 5.986 3.214 9.700 98 HA ARG 14 HA ARG 14 3.888 4.498 8.327 99 HB2 ARG 14 HB2 ARG 14 4.074 1.619 9.237 100 HB3 ARG 14 HB1 ARG 14 2.935 2.241 8.047 101 HG2 ARG 14 HG2 ARG 14 5.940 2.155 7.795 102 HG3 ARG 14 HG1 ARG 14 4.775 1.156 6.925 103 HD2 ARG 14 HD2 ARG 14 3.878 3.152 5.823 104 HD3 ARG 14 HD1 ARG 14 5.017 4.166 6.710 105 HE ARG 14 HE ARG 14 6.186 2.070 5.080 106 HH11 ARG 14 HH11 ARG 14 5.243 5.384 5.257 107 HH12 ARG 14 HH12 ARG 14 6.329 5.872 4.006 108 HH21 ARG 14 HH21 ARG 14 7.541 2.708 3.450 109 HH22 ARG 14 HH22 ARG 14 7.607 4.372 2.987 110 H LEU 15 HN LEU 15 4.077 3.240 11.606 111 HA LEU 15 HA LEU 15 1.358 3.320 12.300 112 HB2 LEU 15 HB2 LEU 15 3.057 2.336 13.746 113 HB3 LEU 15 HB1 LEU 15 3.808 3.904 13.975 114 HG LEU 15 HG LEU 15 1.658 4.660 15.080 115 HD11 LEU 15 HD11 LEU 15 0.186 2.904 15.969 116 HD12 LEU 15 HD12 LEU 15 1.061 1.703 15.019 117 HD13 LEU 15 HD13 LEU 15 0.152 2.979 14.207 118 HD21 LEU 15 HD21 LEU 15 3.654 4.107 16.365 119 HD22 LEU 15 HD22 LEU 15 3.189 2.406 16.381 120 HD23 LEU 15 HD23 LEU 15 2.198 3.601 17.219 121 H LEU 16 HN LEU 16 3.827 5.878 12.451 122 HA LEU 16 HA LEU 16 2.258 7.778 13.803 123 HB2 LEU 16 HB2 LEU 16 4.763 7.963 12.171 124 HB3 LEU 16 HB1 LEU 16 3.985 9.422 12.754 125 HG LEU 16 HG LEU 16 4.211 8.607 15.080 126 HD11 LEU 16 HD11 LEU 16 4.209 6.213 14.699 127 HD12 LEU 16 HD12 LEU 16 5.664 6.694 15.570 128 HD13 LEU 16 HD13 LEU 16 5.750 6.324 13.847 129 HD21 LEU 16 HD21 LEU 16 6.646 8.900 15.257 130 HD22 LEU 16 HD22 LEU 16 5.903 10.083 14.182 131 HD23 LEU 16 HD23 LEU 16 6.784 8.712 13.507 132 H GLN 17 HN GLN 17 2.367 7.037 10.365 133 HA GLN 17 HA GLN 17 1.178 9.537 9.579 134 HB2 GLN 17 HB2 GLN 17 0.917 8.512 7.349 135 HB3 GLN 17 HB1 GLN 17 2.551 8.367 7.973 136 HG2 GLN 17 HG2 GLN 17 2.162 6.300 7.015 137 HG3 GLN 17 HG1 GLN 17 1.849 6.013 8.722 138 HE21 GLN 17 HE21 GLN 17 0.521 4.261 8.368 139 HE22 GLN 17 HE22 GLN 17 -1.042 4.391 7.650 140 H ALA 18 HN ALA 18 -0.074 6.740 11.012 141 HA ALA 18 HA ALA 18 -2.783 7.181 9.948 142 HB1 ALA 18 HB1 ALA 18 -1.896 4.894 9.863 143 HB2 ALA 18 HB2 ALA 18 -3.337 5.010 10.872 144 HB3 ALA 18 HB3 ALA 18 -1.743 4.895 11.621 145 H ILE 19 HN ILE 19 -0.906 7.904 12.705 146 HA ILE 19 HA ILE 19 -3.340 8.488 14.276 147 HB ILE 19 HB ILE 19 -2.188 7.891 16.348 148 HG12 ILE 19 HG12 ILE 19 0.078 6.918 14.576 149 HG13 ILE 19 HG11 ILE 19 0.127 8.370 15.571 150 HG21 ILE 19 HG21 ILE 19 -3.521 6.174 15.249 151 HG22 ILE 19 HG22 ILE 19 -2.132 5.451 16.059 152 HG23 ILE 19 HG23 ILE 19 -2.120 5.663 14.308 153 HD11 ILE 19 HD11 ILE 19 -0.123 5.536 16.562 154 HD12 ILE 19 HD12 ILE 19 -0.135 6.979 17.579 155 HD13 ILE 19 HD13 ILE 19 1.305 6.566 16.649 156 H ASP 20 HN ASP 20 -2.987 10.097 16.007 157 HA ASP 20 HA ASP 20 -1.045 12.172 15.227 158 HB2 ASP 20 HB2 ASP 20 -3.781 12.360 15.663 159 HB3 ASP 20 HB1 ASP 20 -3.101 12.976 17.165 160 HA PRO 21 HA PRO 21 1.288 11.868 19.085 161 HB2 PRO 21 HB2 PRO 21 1.132 14.855 18.978 162 HB3 PRO 21 HB1 PRO 21 2.541 13.811 19.206 163 HG2 PRO 21 HG2 PRO 21 2.121 14.991 16.864 164 HG3 PRO 21 HG1 PRO 21 2.709 13.318 16.936 165 HD2 PRO 21 HD2 PRO 21 -0.040 14.338 16.323 166 HD3 PRO 21 HD1 PRO 21 0.839 12.969 15.611 167 H GLN 22 HN GLN 22 -1.717 13.521 18.682 168 HA GLN 22 HA GLN 22 -2.199 13.908 21.516 169 HB2 GLN 22 HB2 GLN 22 -3.486 14.694 19.010 170 HB3 GLN 22 HB1 GLN 22 -4.654 14.152 20.202 171 HG2 GLN 22 HG2 GLN 22 -2.563 16.167 20.940 172 HG3 GLN 22 HG1 GLN 22 -4.015 16.655 20.075 173 HE21 GLN 22 HE21 GLN 22 -4.075 14.061 22.441 174 HE22 GLN 22 HE22 GLN 22 -4.966 14.926 23.630 175 H SER 23 HN SER 23 -1.890 11.163 19.957 176 HA SER 23 HA SER 23 -2.487 9.019 20.391 177 HB2 SER 23 HB2 SER 23 -3.882 10.280 22.761 178 HB3 SER 23 HB1 SER 23 -3.735 8.540 22.518 179 HG SER 23 HG SER 23 -1.544 8.687 22.719 180 H ASN 24 HN ASN 24 -4.295 10.762 18.707 181 HA ASN 24 HA ASN 24 -6.720 9.094 18.954 182 HB2 ASN 24 HB2 ASN 24 -7.917 10.821 17.658 183 HB3 ASN 24 HB1 ASN 24 -7.257 11.451 19.163 184 HD21 ASN 24 HD21 ASN 24 -5.637 12.962 19.093 185 HD22 ASN 24 HD22 ASN 24 -5.175 13.766 17.634 186 H ILE 25 HN ILE 25 -7.473 7.933 17.252 187 HA ILE 25 HA ILE 25 -5.673 7.222 15.146 188 HB ILE 25 HB ILE 25 -8.601 6.530 15.522 189 HG12 ILE 25 HG12 ILE 25 -7.218 5.750 17.393 190 HG13 ILE 25 HG11 ILE 25 -7.775 4.389 16.426 191 HG21 ILE 25 HG21 ILE 25 -6.537 5.301 13.693 192 HG22 ILE 25 HG22 ILE 25 -7.972 6.208 13.213 193 HG23 ILE 25 HG23 ILE 25 -8.143 4.638 13.997 194 HD11 ILE 25 HD11 ILE 25 -5.580 4.264 15.352 195 HD12 ILE 25 HD12 ILE 25 -5.471 4.096 17.103 196 HD13 ILE 25 HD13 ILE 25 -5.026 5.620 16.337 197 H ARG 26 HN ARG 26 -5.373 8.386 13.297 198 HA ARG 26 HA ARG 26 -7.423 10.300 12.472 199 HB2 ARG 26 HB2 ARG 26 -4.642 9.842 11.370 200 HB3 ARG 26 HB1 ARG 26 -5.736 11.130 10.877 201 HG2 ARG 26 HG2 ARG 26 -5.716 11.897 13.291 202 HG3 ARG 26 HG1 ARG 26 -4.383 10.765 13.541 203 HD2 ARG 26 HD2 ARG 26 -3.503 12.972 13.106 204 HD3 ARG 26 HD1 ARG 26 -3.118 11.911 11.752 205 HE ARG 26 HE ARG 26 -5.292 13.014 10.801 206 HH11 ARG 26 HH11 ARG 26 -2.826 14.574 12.631 207 HH12 ARG 26 HH12 ARG 26 -3.050 16.094 11.838 208 HH21 ARG 26 HH21 ARG 26 -5.576 14.960 9.795 209 HH22 ARG 26 HH22 ARG 26 -4.595 16.312 10.248 210 H ASN 27 HN ASN 27 -5.730 7.468 11.121 211 HA ASN 27 HA ASN 27 -7.839 7.343 9.049 212 HB2 ASN 27 HB2 ASN 27 -5.503 7.921 8.215 213 HB3 ASN 27 HB1 ASN 27 -5.030 6.292 8.676 214 HD21 ASN 27 HD21 ASN 27 -4.551 5.892 6.460 215 HD22 ASN 27 HD22 ASN 27 -5.814 5.553 5.333 216 H MET 28 HN MET 28 -9.199 5.857 9.887 217 HA MET 28 HA MET 28 -8.425 3.757 11.592 218 HB2 MET 28 HB2 MET 28 -10.663 4.699 11.640 219 HB3 MET 28 HB1 MET 28 -10.978 4.118 10.011 220 HG2 MET 28 HG2 MET 28 -10.971 1.850 10.732 221 HG3 MET 28 HG1 MET 28 -10.360 2.295 12.325 222 HE1 MET 28 HE1 MET 28 -11.793 3.434 14.213 223 HE2 MET 28 HE2 MET 28 -13.412 4.084 13.954 224 HE3 MET 28 HE3 MET 28 -12.029 4.809 13.134 225 H VAL 29 HN VAL 29 -9.249 3.686 8.114 226 HA VAL 29 HA VAL 29 -9.053 0.930 7.741 227 HB VAL 29 HB VAL 29 -9.977 2.353 6.014 228 HG11 VAL 29 HG11 VAL 29 -8.541 4.307 6.286 229 HG12 VAL 29 HG12 VAL 29 -8.579 3.783 4.602 230 HG13 VAL 29 HG13 VAL 29 -7.178 3.414 5.608 231 HG21 VAL 29 HG21 VAL 29 -7.506 0.922 5.019 232 HG22 VAL 29 HG22 VAL 29 -8.901 1.377 4.040 233 HG23 VAL 29 HG23 VAL 29 -9.078 0.183 5.325 234 H ALA 30 HN ALA 30 -6.454 3.378 7.473 235 HA ALA 30 HA ALA 30 -4.390 1.577 6.761 236 HB1 ALA 30 HB1 ALA 30 -2.848 3.355 7.423 237 HB2 ALA 30 HB2 ALA 30 -4.167 4.216 8.218 238 HB3 ALA 30 HB3 ALA 30 -4.183 3.998 6.468 239 H VAL 31 HN VAL 31 -5.461 2.815 9.912 240 HA VAL 31 HA VAL 31 -3.611 1.511 11.545 241 HB VAL 31 HB VAL 31 -6.461 2.381 12.033 242 HG11 VAL 31 HG11 VAL 31 -6.087 0.489 13.517 243 HG12 VAL 31 HG12 VAL 31 -6.094 1.994 14.436 244 HG13 VAL 31 HG13 VAL 31 -4.567 1.194 14.064 245 HG21 VAL 31 HG21 VAL 31 -5.373 4.091 13.411 246 HG22 VAL 31 HG22 VAL 31 -4.778 4.130 11.751 247 HG23 VAL 31 HG23 VAL 31 -3.797 3.400 13.024 248 H LEU 32 HN LEU 32 -6.845 0.355 10.514 249 HA LEU 32 HA LEU 32 -6.778 -2.139 11.755 250 HB2 LEU 32 HB2 LEU 32 -8.087 -1.332 9.156 251 HB3 LEU 32 HB1 LEU 32 -8.395 -2.850 9.981 252 HG LEU 32 HG LEU 32 -8.992 -0.095 11.079 253 HD11 LEU 32 HD11 LEU 32 -10.507 -0.697 9.283 254 HD12 LEU 32 HD12 LEU 32 -11.339 -0.746 10.837 255 HD13 LEU 32 HD13 LEU 32 -10.841 -2.248 10.057 256 HD21 LEU 32 HD21 LEU 32 -9.521 -2.830 12.247 257 HD22 LEU 32 HD22 LEU 32 -10.146 -1.311 12.889 258 HD23 LEU 32 HD23 LEU 32 -8.409 -1.612 12.876 259 H GLU 33 HN GLU 33 -5.492 -1.176 8.589 260 HA GLU 33 HA GLU 33 -4.552 -3.667 7.720 261 HB2 GLU 33 HB2 GLU 33 -3.554 -0.858 7.248 262 HB3 GLU 33 HB1 GLU 33 -2.783 -2.250 6.501 263 HG2 GLU 33 HG2 GLU 33 -5.711 -1.616 6.182 264 HG3 GLU 33 HG1 GLU 33 -4.462 -1.025 5.085 265 H VAL 34 HN VAL 34 -2.918 -1.203 9.717 266 HA VAL 34 HA VAL 34 -0.475 -2.559 10.042 267 HB VAL 34 HB VAL 34 -1.817 -0.615 11.943 268 HG11 VAL 34 HG11 VAL 34 -0.084 -1.876 13.102 269 HG12 VAL 34 HG12 VAL 34 0.446 -0.216 12.838 270 HG13 VAL 34 HG13 VAL 34 1.070 -1.512 11.817 271 HG21 VAL 34 HG21 VAL 34 -0.401 1.078 10.888 272 HG22 VAL 34 HG22 VAL 34 -1.449 0.307 9.697 273 HG23 VAL 34 HG23 VAL 34 0.255 -0.138 9.793 274 H ILE 35 HN ILE 35 -3.334 -2.504 12.200 275 HA ILE 35 HA ILE 35 -2.322 -4.236 14.156 276 HB ILE 35 HB ILE 35 -5.135 -3.544 13.334 277 HG12 ILE 35 HG12 ILE 35 -5.212 -2.536 15.601 278 HG13 ILE 35 HG11 ILE 35 -3.561 -3.061 15.883 279 HG21 ILE 35 HG21 ILE 35 -5.307 -5.849 14.031 280 HG22 ILE 35 HG22 ILE 35 -5.982 -4.809 15.285 281 HG23 ILE 35 HG23 ILE 35 -4.379 -5.515 15.493 282 HD11 ILE 35 HD11 ILE 35 -4.439 -1.093 13.794 283 HD12 ILE 35 HD12 ILE 35 -2.779 -1.598 14.116 284 HD13 ILE 35 HD13 ILE 35 -3.684 -0.705 15.338 285 H SER 36 HN SER 36 -4.363 -5.018 11.315 286 HA SER 36 HA SER 36 -4.500 -7.788 11.725 287 HB2 SER 36 HB2 SER 36 -5.921 -6.624 10.086 288 HB3 SER 36 HB1 SER 36 -4.510 -6.311 9.075 289 HG SER 36 HG SER 36 -4.304 -8.508 8.699 290 H SER 37 HN SER 37 -2.101 -5.881 9.929 291 HA SER 37 HA SER 37 -0.562 -8.031 8.960 292 HB2 SER 37 HB2 SER 37 0.320 -5.216 9.668 293 HB3 SER 37 HB1 SER 37 1.285 -6.369 8.746 294 HG SER 37 HG SER 37 -1.256 -5.322 8.010 295 H LEU 38 HN LEU 38 -0.296 -6.163 11.975 296 HA LEU 38 HA LEU 38 1.977 -7.542 12.968 297 HB2 LEU 38 HB2 LEU 38 -0.030 -5.658 14.109 298 HB3 LEU 38 HB1 LEU 38 0.918 -6.603 15.237 299 HG LEU 38 HG LEU 38 2.990 -5.687 14.316 300 HD11 LEU 38 HD11 LEU 38 2.300 -5.347 12.007 301 HD12 LEU 38 HD12 LEU 38 2.955 -3.861 12.690 302 HD13 LEU 38 HD13 LEU 38 1.211 -4.052 12.506 303 HD21 LEU 38 HD21 LEU 38 0.990 -3.538 15.026 304 HD22 LEU 38 HD22 LEU 38 2.746 -3.391 15.113 305 HD23 LEU 38 HD23 LEU 38 1.902 -4.522 16.170 306 H GLU 39 HN GLU 39 -1.449 -8.295 13.063 307 HA GLU 39 HA GLU 39 -1.306 -10.313 15.065 308 HB2 GLU 39 HB2 GLU 39 -3.220 -9.987 12.742 309 HB3 GLU 39 HB1 GLU 39 -3.407 -11.192 14.008 310 HG2 GLU 39 HG2 GLU 39 -3.567 -9.376 15.673 311 HG3 GLU 39 HG1 GLU 39 -3.466 -8.199 14.362 312 H LYS 40 HN LYS 40 -0.931 -10.389 11.536 313 HA LYS 40 HA LYS 40 -0.423 -13.249 11.511 314 HB2 LYS 40 HB2 LYS 40 -0.177 -11.188 9.303 315 HB3 LYS 40 HB1 LYS 40 -0.077 -12.932 9.088 316 HG2 LYS 40 HG2 LYS 40 -2.397 -13.170 9.805 317 HG3 LYS 40 HG1 LYS 40 -2.501 -11.429 10.078 318 HD2 LYS 40 HD2 LYS 40 -3.508 -12.022 7.934 319 HD3 LYS 40 HD1 LYS 40 -2.069 -11.033 7.688 320 HE2 LYS 40 HE2 LYS 40 -0.769 -13.037 7.170 321 HE3 LYS 40 HE1 LYS 40 -2.187 -14.044 7.455 322 HZ1 LYS 40 HZ1 LYS 40 -1.834 -12.034 5.298 323 HZ2 LYS 40 HZ2 LYS 40 -3.290 -12.824 5.626 324 HZ3 LYS 40 HZ3 LYS 40 -1.944 -13.713 5.122 325 H TYR 41 HN TYR 41 1.424 -10.354 11.771 326 HA TYR 41 HA TYR 41 3.920 -11.909 11.766 327 HB2 TYR 41 HB2 TYR 41 3.664 -9.194 10.432 328 HB3 TYR 41 HB1 TYR 41 5.101 -10.208 10.494 329 HD1 TYR 41 HD1 TYR 41 5.219 -12.280 9.126 330 HD2 TYR 41 HD2 TYR 41 1.924 -9.596 8.823 331 HE1 TYR 41 HE1 TYR 41 4.543 -13.348 7.016 332 HE2 TYR 41 HE2 TYR 41 1.244 -10.659 6.715 333 HH TYR 41 HH TYR 41 2.258 -11.998 4.906 334 HA PRO 42 HA PRO 42 3.422 -9.171 15.472 335 HB2 PRO 42 HB2 PRO 42 4.418 -11.374 17.083 336 HB3 PRO 42 HB1 PRO 42 2.834 -10.605 17.120 337 HG2 PRO 42 HG2 PRO 42 3.249 -13.160 16.229 338 HG3 PRO 42 HG1 PRO 42 1.907 -12.135 15.693 339 HD2 PRO 42 HD2 PRO 42 4.493 -12.751 14.307 340 HD3 PRO 42 HD1 PRO 42 2.858 -12.584 13.627 341 H ILE 43 HN ILE 43 4.963 -7.818 16.093 342 HA ILE 43 HA ILE 43 7.641 -8.023 15.310 343 HB ILE 43 HB ILE 43 6.387 -6.269 17.432 344 HG12 ILE 43 HG12 ILE 43 7.044 -5.724 14.520 345 HG13 ILE 43 HG11 ILE 43 5.434 -6.026 15.162 346 HG21 ILE 43 HG21 ILE 43 8.343 -4.796 17.117 347 HG22 ILE 43 HG22 ILE 43 9.082 -6.023 16.088 348 HG23 ILE 43 HG23 ILE 43 8.782 -6.364 17.793 349 HD11 ILE 43 HD11 ILE 43 7.198 -3.693 15.870 350 HD12 ILE 43 HD12 ILE 43 5.569 -3.989 16.482 351 HD13 ILE 43 HD13 ILE 43 5.822 -3.661 14.768 352 H THR 44 HN THR 44 9.382 -8.970 16.189 353 HA THR 44 HA THR 44 9.055 -10.754 18.392 354 HB THR 44 HB THR 44 11.607 -10.020 16.924 355 HG1 THR 44 HG1 THR 44 11.057 -11.576 15.473 356 HG21 THR 44 HG21 THR 44 12.371 -12.254 17.642 357 HG22 THR 44 HG22 THR 44 10.884 -12.459 18.569 358 HG23 THR 44 HG23 THR 44 12.040 -11.206 19.022 359 H LYS 45 HN LYS 45 10.585 -10.864 20.232 360 HA LYS 45 HA LYS 45 10.237 -8.684 21.911 361 HB2 LYS 45 HB2 LYS 45 12.339 -10.844 22.227 362 HB3 LYS 45 HB1 LYS 45 11.677 -9.838 23.503 363 HG2 LYS 45 HG2 LYS 45 10.564 -11.839 23.813 364 HG3 LYS 45 HG1 LYS 45 9.404 -10.915 22.858 365 HD2 LYS 45 HD2 LYS 45 10.090 -12.079 20.838 366 HD3 LYS 45 HD1 LYS 45 11.361 -12.924 21.722 367 HE2 LYS 45 HE2 LYS 45 9.491 -14.412 21.408 368 HE3 LYS 45 HE1 LYS 45 9.622 -14.004 23.117 369 HZ1 LYS 45 HZ1 LYS 45 7.682 -12.905 21.160 370 HZ2 LYS 45 HZ2 LYS 45 7.877 -12.312 22.725 371 HZ3 LYS 45 HZ3 LYS 45 7.350 -13.897 22.487 372 H GLU 46 HN GLU 46 13.093 -9.606 20.024 373 HA GLU 46 HA GLU 46 15.002 -7.910 21.109 374 HB2 GLU 46 HB2 GLU 46 15.518 -9.659 19.476 375 HB3 GLU 46 HB1 GLU 46 14.652 -8.775 18.228 376 HG2 GLU 46 HG2 GLU 46 16.921 -8.371 17.814 377 HG3 GLU 46 HG1 GLU 46 16.325 -6.900 18.577 378 H ALA 47 HN ALA 47 12.725 -7.249 18.479 379 HA ALA 47 HA ALA 47 13.742 -4.726 17.750 380 HB1 ALA 47 HB1 ALA 47 11.668 -4.474 16.485 381 HB2 ALA 47 HB2 ALA 47 10.985 -5.864 17.329 382 HB3 ALA 47 HB3 ALA 47 12.373 -6.076 16.263 383 H LEU 48 HN LEU 48 11.501 -5.631 20.300 384 HA LEU 48 HA LEU 48 9.859 -3.373 20.335 385 HB2 LEU 48 HB2 LEU 48 9.397 -5.475 21.534 386 HB3 LEU 48 HB1 LEU 48 10.685 -5.107 22.666 387 HG LEU 48 HG LEU 48 9.406 -3.057 23.353 388 HD11 LEU 48 HD11 LEU 48 7.216 -4.293 21.685 389 HD12 LEU 48 HD12 LEU 48 8.053 -2.776 21.350 390 HD13 LEU 48 HD13 LEU 48 7.036 -2.923 22.782 391 HD21 LEU 48 HD21 LEU 48 9.331 -5.118 24.670 392 HD22 LEU 48 HD22 LEU 48 7.968 -5.690 23.707 393 HD23 LEU 48 HD23 LEU 48 7.792 -4.261 24.727 394 H GLU 49 HN GLU 49 12.839 -3.923 22.272 395 HA GLU 49 HA GLU 49 12.747 -1.351 23.511 396 HB2 GLU 49 HB2 GLU 49 14.797 -3.522 23.319 397 HB3 GLU 49 HB1 GLU 49 15.298 -1.937 23.889 398 HG2 GLU 49 HG2 GLU 49 13.039 -3.517 25.106 399 HG3 GLU 49 HG1 GLU 49 14.704 -3.570 25.681 400 H GLU 50 HN GLU 50 14.601 -2.620 20.754 401 HA GLU 50 HA GLU 50 16.183 -0.361 20.273 402 HB2 GLU 50 HB2 GLU 50 16.577 -2.592 19.276 403 HB3 GLU 50 HB1 GLU 50 15.158 -2.381 18.260 404 HG2 GLU 50 HG2 GLU 50 16.203 -0.537 17.102 405 HG3 GLU 50 HG1 GLU 50 17.592 -0.599 18.186 406 H THR 51 HN THR 51 12.939 -1.166 19.134 407 HA THR 51 HA THR 51 12.780 1.252 17.498 408 HB THR 51 HB THR 51 10.569 0.420 16.813 409 HG1 THR 51 HG1 THR 51 10.944 -1.998 18.177 410 HG21 THR 51 HG21 THR 51 11.295 -1.641 15.682 411 HG22 THR 51 HG22 THR 51 12.706 -1.723 16.736 412 HG23 THR 51 HG23 THR 51 12.537 -0.389 15.595 413 H ARG 52 HN ARG 52 12.227 0.469 20.710 414 HA ARG 52 HA ARG 52 11.132 1.430 22.457 415 HB2 ARG 52 HB2 ARG 52 11.032 3.804 20.580 416 HB3 ARG 52 HB1 ARG 52 10.691 3.872 22.303 417 HG2 ARG 52 HG2 ARG 52 13.330 3.060 21.085 418 HG3 ARG 52 HG1 ARG 52 12.956 4.652 21.747 419 HD2 ARG 52 HD2 ARG 52 12.560 3.625 23.952 420 HD3 ARG 52 HD1 ARG 52 12.963 2.043 23.280 421 HE ARG 52 HE ARG 52 15.215 3.041 22.812 422 HH11 ARG 52 HH11 ARG 52 13.236 4.210 25.378 423 HH12 ARG 52 HH12 ARG 52 14.579 4.826 26.276 424 HH21 ARG 52 HH21 ARG 52 16.936 3.820 23.985 425 HH22 ARG 52 HH22 ARG 52 16.646 4.609 25.500 426 H LEU 53 HN LEU 53 9.552 0.016 20.391 427 HA LEU 53 HA LEU 53 7.055 1.377 20.104 428 HB2 LEU 53 HB2 LEU 53 7.906 -1.452 19.539 429 HB3 LEU 53 HB1 LEU 53 6.255 -0.905 19.300 430 HG LEU 53 HG LEU 53 8.703 0.198 17.904 431 HD11 LEU 53 HD11 LEU 53 8.080 -2.019 17.107 432 HD12 LEU 53 HD12 LEU 53 7.749 -0.787 15.892 433 HD13 LEU 53 HD13 LEU 53 6.425 -1.468 16.838 434 HD21 LEU 53 HD21 LEU 53 7.101 1.490 16.555 435 HD22 LEU 53 HD22 LEU 53 7.069 1.958 18.254 436 HD23 LEU 53 HD23 LEU 53 5.790 0.937 17.597 437 H GLY 54 HN GLY 54 8.350 0.017 22.819 438 HA2 GLY 54 HA2 GLY 54 6.270 -1.450 23.971 439 HA3 GLY 54 HA1 GLY 54 7.427 -0.483 24.870 440 H LYS 55 HN LYS 55 6.644 2.059 23.694 441 HA LYS 55 HA LYS 55 4.434 2.796 25.295 442 HB2 LYS 55 HB2 LYS 55 6.163 4.392 24.513 443 HB3 LYS 55 HB1 LYS 55 5.547 4.240 22.874 444 HG2 LYS 55 HG2 LYS 55 4.712 6.275 23.839 445 HG3 LYS 55 HG1 LYS 55 3.372 5.144 23.640 446 HD2 LYS 55 HD2 LYS 55 3.567 4.534 26.035 447 HD3 LYS 55 HD1 LYS 55 4.856 5.727 26.214 448 HE2 LYS 55 HE2 LYS 55 3.261 7.491 25.512 449 HE3 LYS 55 HE1 LYS 55 1.984 6.279 25.448 450 HZ1 LYS 55 HZ1 LYS 55 2.425 5.853 27.843 451 HZ2 LYS 55 HZ2 LYS 55 1.851 7.412 27.526 452 HZ3 LYS 55 HZ3 LYS 55 3.491 7.165 27.845 453 H LEU 56 HN LEU 56 4.672 1.756 21.938 454 HA LEU 56 HA LEU 56 2.116 2.378 20.992 455 HB2 LEU 56 HB2 LEU 56 3.970 1.522 19.597 456 HB3 LEU 56 HB1 LEU 56 3.829 -0.043 20.362 457 HG LEU 56 HG LEU 56 1.561 1.145 18.751 458 HD11 LEU 56 HD11 LEU 56 3.534 1.069 17.313 459 HD12 LEU 56 HD12 LEU 56 2.363 -0.160 16.838 460 HD13 LEU 56 HD13 LEU 56 3.802 -0.620 17.749 461 HD21 LEU 56 HD21 LEU 56 2.265 -1.708 19.486 462 HD22 LEU 56 HD22 LEU 56 0.895 -1.210 18.493 463 HD23 LEU 56 HD23 LEU 56 0.965 -0.747 20.191 464 H ILE 57 HN ILE 57 3.243 -0.352 22.935 465 HA ILE 57 HA ILE 57 0.961 -1.969 22.903 466 HB ILE 57 HB ILE 57 2.976 -1.544 25.129 467 HG12 ILE 57 HG12 ILE 57 2.825 -3.659 22.959 468 HG13 ILE 57 HG11 ILE 57 3.965 -2.318 23.010 469 HG21 ILE 57 HG21 ILE 57 0.990 -3.792 24.777 470 HG22 ILE 57 HG22 ILE 57 0.953 -2.552 26.030 471 HG23 ILE 57 HG23 ILE 57 2.265 -3.729 25.994 472 HD11 ILE 57 HD11 ILE 57 3.808 -4.572 25.002 473 HD12 ILE 57 HD12 ILE 57 4.959 -3.236 25.039 474 HD13 ILE 57 HD13 ILE 57 4.999 -4.399 23.714 475 H ASN 58 HN ASN 58 1.764 0.824 24.902 476 HA ASN 58 HA ASN 58 -0.434 0.610 26.701 477 HB2 ASN 58 HB2 ASN 58 1.155 3.080 25.960 478 HB3 ASN 58 HB1 ASN 58 0.189 2.847 27.416 479 HD21 ASN 58 HD21 ASN 58 0.995 0.152 27.879 480 HD22 ASN 58 HD22 ASN 58 2.627 0.219 28.407 481 H ASP 59 HN ASP 59 0.150 2.632 23.829 482 HA ASP 59 HA ASP 59 -2.267 4.076 24.183 483 HB2 ASP 59 HB2 ASP 59 -0.108 4.886 23.067 484 HB3 ASP 59 HB1 ASP 59 -0.653 4.019 21.635 485 H VAL 60 HN VAL 60 -1.302 1.475 21.925 486 HA VAL 60 HA VAL 60 -3.642 1.508 20.348 487 HB VAL 60 HB VAL 60 -1.522 0.307 19.730 488 HG11 VAL 60 HG11 VAL 60 -2.534 -1.817 21.625 489 HG12 VAL 60 HG12 VAL 60 -1.097 -0.822 21.854 490 HG13 VAL 60 HG13 VAL 60 -1.166 -1.977 20.523 491 HG21 VAL 60 HG21 VAL 60 -4.045 -1.355 19.591 492 HG22 VAL 60 HG22 VAL 60 -2.634 -1.515 18.542 493 HG23 VAL 60 HG23 VAL 60 -3.607 -0.046 18.492 494 H ARG 61 HN ARG 61 -2.896 -0.090 23.381 495 HA ARG 61 HA ARG 61 -5.142 -1.759 23.601 496 HB2 ARG 61 HB2 ARG 61 -3.183 -1.919 25.063 497 HB3 ARG 61 HB1 ARG 61 -3.549 -0.349 25.756 498 HG2 ARG 61 HG2 ARG 61 -5.635 -1.260 26.691 499 HG3 ARG 61 HG1 ARG 61 -5.229 -2.843 26.021 500 HD2 ARG 61 HD2 ARG 61 -3.277 -3.002 27.410 501 HD3 ARG 61 HD1 ARG 61 -3.458 -1.333 27.946 502 HE ARG 61 HE ARG 61 -5.672 -3.087 28.582 503 HH11 ARG 61 HH11 ARG 61 -2.686 -1.735 29.641 504 HH12 ARG 61 HH12 ARG 61 -3.048 -1.963 31.313 505 HH21 ARG 61 HH21 ARG 61 -6.126 -3.376 30.728 506 HH22 ARG 61 HH22 ARG 61 -4.976 -2.885 31.925 507 H LYS 62 HN LYS 62 -4.778 1.684 24.064 508 HA LYS 62 HA LYS 62 -7.421 2.012 25.257 509 HB2 LYS 62 HB2 LYS 62 -5.340 4.033 24.383 510 HB3 LYS 62 HB1 LYS 62 -6.846 4.434 25.202 511 HG2 LYS 62 HG2 LYS 62 -6.148 3.265 27.183 512 HG3 LYS 62 HG1 LYS 62 -4.714 2.646 26.362 513 HD2 LYS 62 HD2 LYS 62 -4.188 4.542 27.846 514 HD3 LYS 62 HD1 LYS 62 -3.819 4.898 26.159 515 HE2 LYS 62 HE2 LYS 62 -5.873 6.179 25.948 516 HE3 LYS 62 HE1 LYS 62 -6.329 5.763 27.600 517 HZ1 LYS 62 HZ1 LYS 62 -5.341 8.000 27.358 518 HZ2 LYS 62 HZ2 LYS 62 -3.883 7.285 26.888 519 HZ3 LYS 62 HZ3 LYS 62 -4.497 7.012 28.438 520 H LYS 63 HN LYS 63 -5.846 2.452 22.144 521 HA LYS 63 HA LYS 63 -8.271 3.698 21.041 522 HB2 LYS 63 HB2 LYS 63 -5.373 3.861 20.259 523 HB3 LYS 63 HB1 LYS 63 -6.644 4.335 19.137 524 HG2 LYS 63 HG2 LYS 63 -6.314 5.482 21.908 525 HG3 LYS 63 HG1 LYS 63 -5.686 6.227 20.434 526 HD2 LYS 63 HD2 LYS 63 -7.869 6.586 19.568 527 HD3 LYS 63 HD1 LYS 63 -8.605 5.531 20.773 528 HE2 LYS 63 HE2 LYS 63 -7.204 8.117 21.443 529 HE3 LYS 63 HE1 LYS 63 -8.939 7.987 21.160 530 HZ1 LYS 63 HZ1 LYS 63 -8.479 7.890 23.500 531 HZ2 LYS 63 HZ2 LYS 63 -7.407 6.600 23.290 532 HZ3 LYS 63 HZ3 LYS 63 -9.055 6.386 22.988 533 H THR 64 HN THR 64 -7.478 0.691 21.318 534 HA THR 64 HA THR 64 -7.441 -0.384 18.711 535 HB THR 64 HB THR 64 -6.963 -1.851 20.565 536 HG1 THR 64 HG1 THR 64 -8.800 -3.462 20.117 537 HG21 THR 64 HG21 THR 64 -9.826 -1.426 21.452 538 HG22 THR 64 HG22 THR 64 -8.396 -0.779 22.258 539 HG23 THR 64 HG23 THR 64 -8.660 -2.521 22.194 540 H LYS 65 HN LYS 65 -9.066 -1.102 17.344 541 HA LYS 65 HA LYS 65 -11.366 0.511 17.180 542 HB2 LYS 65 HB2 LYS 65 -10.152 -0.600 15.273 543 HB3 LYS 65 HB1 LYS 65 -10.893 -2.117 15.753 544 HG2 LYS 65 HG2 LYS 65 -12.616 0.256 15.139 545 HG3 LYS 65 HG1 LYS 65 -11.928 -0.695 13.825 546 HD2 LYS 65 HD2 LYS 65 -13.698 -1.758 16.041 547 HD3 LYS 65 HD1 LYS 65 -14.203 -1.430 14.384 548 HE2 LYS 65 HE2 LYS 65 -12.488 -3.093 13.619 549 HE3 LYS 65 HE1 LYS 65 -12.212 -3.502 15.312 550 HZ1 LYS 65 HZ1 LYS 65 -14.773 -3.784 13.838 551 HZ2 LYS 65 HZ2 LYS 65 -14.562 -4.129 15.477 552 HZ3 LYS 65 HZ3 LYS 65 -13.750 -5.045 14.313 553 H ASN 66 HN ASN 66 -10.966 -2.854 18.282 554 HA ASN 66 HA ASN 66 -13.693 -2.700 19.408 555 HB2 ASN 66 HB2 ASN 66 -13.700 -4.239 17.504 556 HB3 ASN 66 HB1 ASN 66 -12.371 -5.151 18.215 557 HD21 ASN 66 HD21 ASN 66 -13.681 -7.019 18.183 558 HD22 ASN 66 HD22 ASN 66 -14.938 -7.252 19.346 559 H GLU 67 HN GLU 67 -13.909 -3.159 21.518 560 HA GLU 67 HA GLU 67 -11.647 -3.371 23.195 561 HB2 GLU 67 HB2 GLU 67 -14.536 -3.951 23.887 562 HB3 GLU 67 HB1 GLU 67 -13.243 -3.606 25.030 563 HG2 GLU 67 HG2 GLU 67 -12.994 -1.362 23.986 564 HG3 GLU 67 HG1 GLU 67 -14.399 -1.718 22.983 565 H GLU 68 HN GLU 68 -13.857 -5.821 21.918 566 HA GLU 68 HA GLU 68 -12.820 -7.991 23.446 567 HB2 GLU 68 HB2 GLU 68 -14.197 -8.014 20.748 568 HB3 GLU 68 HB1 GLU 68 -13.871 -9.442 21.721 569 HG2 GLU 68 HG2 GLU 68 -15.713 -7.155 22.393 570 HG3 GLU 68 HG1 GLU 68 -16.160 -8.818 22.016 571 H LEU 69 HN LEU 69 -11.945 -6.590 20.324 572 HA LEU 69 HA LEU 69 -10.030 -8.474 19.516 573 HB2 LEU 69 HB2 LEU 69 -11.005 -6.557 18.165 574 HB3 LEU 69 HB1 LEU 69 -9.913 -5.487 19.015 575 HG LEU 69 HG LEU 69 -8.894 -7.818 17.383 576 HD11 LEU 69 HD11 LEU 69 -9.359 -4.993 16.419 577 HD12 LEU 69 HD12 LEU 69 -10.289 -6.411 15.935 578 HD13 LEU 69 HD13 LEU 69 -8.581 -6.295 15.516 579 HD21 LEU 69 HD21 LEU 69 -6.847 -6.467 17.269 580 HD22 LEU 69 HD22 LEU 69 -7.291 -6.822 18.937 581 HD23 LEU 69 HD23 LEU 69 -7.609 -5.223 18.263 582 H ALA 70 HN ALA 70 -9.759 -5.627 21.625 583 HA ALA 70 HA ALA 70 -7.005 -5.628 22.083 584 HB1 ALA 70 HB1 ALA 70 -9.170 -4.949 24.077 585 HB2 ALA 70 HB2 ALA 70 -8.532 -3.858 22.849 586 HB3 ALA 70 HB3 ALA 70 -7.484 -4.433 24.144 587 H LYS 71 HN LYS 71 -9.535 -7.595 23.573 588 HA LYS 71 HA LYS 71 -7.957 -8.758 25.610 589 HB2 LYS 71 HB2 LYS 71 -10.412 -9.850 24.213 590 HB3 LYS 71 HB1 LYS 71 -9.723 -10.500 25.697 591 HG2 LYS 71 HG2 LYS 71 -10.144 -8.360 26.824 592 HG3 LYS 71 HG1 LYS 71 -10.858 -7.726 25.339 593 HD2 LYS 71 HD2 LYS 71 -12.600 -9.437 25.434 594 HD3 LYS 71 HD1 LYS 71 -11.872 -10.115 26.892 595 HE2 LYS 71 HE2 LYS 71 -13.782 -8.709 27.452 596 HE3 LYS 71 HE1 LYS 71 -12.288 -8.013 28.078 597 HZ1 LYS 71 HZ1 LYS 71 -13.715 -6.345 27.063 598 HZ2 LYS 71 HZ2 LYS 71 -13.667 -7.166 25.587 599 HZ3 LYS 71 HZ3 LYS 71 -12.256 -6.480 26.222 600 H ARG 72 HN ARG 72 -8.623 -9.771 22.270 601 HA ARG 72 HA ARG 72 -7.058 -12.167 22.394 602 HB2 ARG 72 HB2 ARG 72 -8.060 -10.509 20.071 603 HB3 ARG 72 HB1 ARG 72 -7.084 -11.951 19.844 604 HG2 ARG 72 HG2 ARG 72 -9.398 -12.502 19.532 605 HG3 ARG 72 HG1 ARG 72 -8.817 -13.274 21.006 606 HD2 ARG 72 HD2 ARG 72 -9.923 -11.658 22.377 607 HD3 ARG 72 HD1 ARG 72 -10.307 -10.651 20.980 608 HE ARG 72 HE ARG 72 -11.640 -12.776 20.292 609 HH11 ARG 72 HH11 ARG 72 -11.313 -11.559 23.498 610 HH12 ARG 72 HH12 ARG 72 -12.881 -12.107 23.976 611 HH21 ARG 72 HH21 ARG 72 -13.645 -13.454 20.920 612 HH22 ARG 72 HH22 ARG 72 -14.179 -13.159 22.538 613 H ALA 73 HN ALA 73 -6.419 -8.832 21.480 614 HA ALA 73 HA ALA 73 -3.830 -9.126 20.434 615 HB1 ALA 73 HB1 ALA 73 -3.579 -6.733 20.842 616 HB2 ALA 73 HB2 ALA 73 -4.999 -6.750 21.888 617 HB3 ALA 73 HB3 ALA 73 -5.170 -7.089 20.166 618 H LYS 74 HN LYS 74 -4.988 -9.046 23.725 619 HA LYS 74 HA LYS 74 -2.798 -8.105 25.117 620 HB2 LYS 74 HB2 LYS 74 -4.956 -8.495 26.155 621 HB3 LYS 74 HB1 LYS 74 -4.790 -10.230 25.927 622 HG2 LYS 74 HG2 LYS 74 -2.919 -10.274 27.487 623 HG3 LYS 74 HG1 LYS 74 -3.029 -8.526 27.687 624 HD2 LYS 74 HD2 LYS 74 -4.109 -9.526 29.566 625 HD3 LYS 74 HD1 LYS 74 -5.368 -8.850 28.536 626 HE2 LYS 74 HE2 LYS 74 -4.551 -11.757 28.482 627 HE3 LYS 74 HE1 LYS 74 -5.850 -11.132 29.492 628 HZ1 LYS 74 HZ1 LYS 74 -5.742 -11.067 26.526 629 HZ2 LYS 74 HZ2 LYS 74 -6.958 -10.355 27.463 630 HZ3 LYS 74 HZ3 LYS 74 -6.749 -12.033 27.481 631 H LYS 75 HN LYS 75 -3.418 -11.555 24.254 632 HA LYS 75 HA LYS 75 -1.041 -12.522 25.411 633 HB2 LYS 75 HB2 LYS 75 -1.338 -14.489 23.796 634 HB3 LYS 75 HB1 LYS 75 -2.606 -14.184 24.966 635 HG2 LYS 75 HG2 LYS 75 -3.803 -14.647 23.057 636 HG3 LYS 75 HG1 LYS 75 -3.754 -12.887 23.040 637 HD2 LYS 75 HD2 LYS 75 -1.990 -12.905 21.381 638 HD3 LYS 75 HD1 LYS 75 -1.857 -14.663 21.490 639 HE2 LYS 75 HE2 LYS 75 -4.132 -14.902 20.628 640 HE3 LYS 75 HE1 LYS 75 -4.302 -13.150 20.554 641 HZ1 LYS 75 HZ1 LYS 75 -2.546 -13.079 18.906 642 HZ2 LYS 75 HZ2 LYS 75 -3.795 -14.097 18.397 643 HZ3 LYS 75 HZ3 LYS 75 -2.361 -14.761 18.990 644 H LEU 76 HN LEU 76 -1.608 -11.142 22.214 645 HA LEU 76 HA LEU 76 0.963 -11.727 21.145 646 HB2 LEU 76 HB2 LEU 76 -1.075 -11.005 19.847 647 HB3 LEU 76 HB1 LEU 76 -0.832 -9.384 20.461 648 HG LEU 76 HG LEU 76 1.308 -10.786 18.852 649 HD11 LEU 76 HD11 LEU 76 -0.768 -10.796 17.533 650 HD12 LEU 76 HD12 LEU 76 0.448 -9.717 16.851 651 HD13 LEU 76 HD13 LEU 76 -0.911 -9.051 17.759 652 HD21 LEU 76 HD21 LEU 76 1.973 -8.473 18.311 653 HD22 LEU 76 HD22 LEU 76 2.027 -8.791 20.044 654 HD23 LEU 76 HD23 LEU 76 0.689 -7.869 19.359 655 H LEU 77 HN LEU 77 -0.361 -8.881 22.829 656 HA LEU 77 HA LEU 77 2.009 -7.362 22.918 657 HB2 LEU 77 HB2 LEU 77 -0.510 -7.390 24.552 658 HB3 LEU 77 HB1 LEU 77 0.831 -6.373 25.039 659 HG LEU 77 HG LEU 77 0.703 -5.094 22.994 660 HD11 LEU 77 HD11 LEU 77 0.142 -6.895 21.440 661 HD12 LEU 77 HD12 LEU 77 -0.958 -5.528 21.264 662 HD13 LEU 77 HD13 LEU 77 -1.484 -6.979 22.117 663 HD21 LEU 77 HD21 LEU 77 -0.821 -4.440 24.789 664 HD22 LEU 77 HD22 LEU 77 -2.060 -5.516 24.144 665 HD23 LEU 77 HD23 LEU 77 -1.532 -4.119 23.207 666 H ARG 78 HN ARG 78 0.797 -9.917 25.040 667 HA ARG 78 HA ARG 78 2.784 -9.683 27.046 668 HB2 ARG 78 HB2 ARG 78 1.025 -11.977 26.176 669 HB3 ARG 78 HB1 ARG 78 2.191 -12.147 27.483 670 HG2 ARG 78 HG2 ARG 78 -0.076 -10.155 27.408 671 HG3 ARG 78 HG1 ARG 78 -0.064 -11.670 28.316 672 HD2 ARG 78 HD2 ARG 78 1.797 -10.893 29.659 673 HD3 ARG 78 HD1 ARG 78 1.920 -9.420 28.697 674 HE ARG 78 HE ARG 78 -0.659 -9.730 29.887 675 HH11 ARG 78 HH11 ARG 78 2.580 -8.775 30.550 676 HH12 ARG 78 HH12 ARG 78 2.126 -7.675 31.801 677 HH21 ARG 78 HH21 ARG 78 -1.238 -8.307 31.501 678 HH22 ARG 78 HH22 ARG 78 -0.013 -7.397 32.316 679 H SER 79 HN SER 79 2.721 -11.375 23.944 680 HA SER 79 HA SER 79 5.138 -12.789 24.184 681 HB2 SER 79 HB2 SER 79 3.579 -13.103 22.284 682 HB3 SER 79 HB1 SER 79 3.996 -11.500 21.681 683 HG SER 79 HG SER 79 5.420 -13.877 21.577 684 H TRP 80 HN TRP 80 4.490 -9.416 23.414 685 HA TRP 80 HA TRP 80 7.226 -8.720 22.883 686 HB2 TRP 80 HB2 TRP 80 4.851 -6.968 23.589 687 HB3 TRP 80 HB1 TRP 80 6.408 -6.379 23.014 688 HD1 TRP 80 HD1 TRP 80 5.344 -9.462 21.190 689 HE1 TRP 80 HE1 TRP 80 4.455 -8.844 18.864 690 HE3 TRP 80 HE3 TRP 80 4.968 -4.395 21.774 691 HZ2 TRP 80 HZ2 TRP 80 3.687 -6.524 17.452 692 HZ3 TRP 80 HZ3 TRP 80 4.150 -3.045 19.888 693 HH2 TRP 80 HH2 TRP 80 3.521 -4.097 17.766 694 H GLN 81 HN GLN 81 5.046 -8.359 25.675 695 HA GLN 81 HA GLN 81 6.835 -7.148 27.466 696 HB2 GLN 81 HB2 GLN 81 4.559 -9.068 28.029 697 HB3 GLN 81 HB1 GLN 81 5.378 -8.107 29.254 698 HG2 GLN 81 HG2 GLN 81 3.921 -6.920 26.894 699 HG3 GLN 81 HG1 GLN 81 3.184 -7.194 28.471 700 HE21 GLN 81 HE21 GLN 81 5.536 -5.322 26.700 701 HE22 GLN 81 HE22 GLN 81 5.713 -4.076 27.880 702 H LYS 82 HN LYS 82 6.720 -10.375 26.268 703 HA LYS 82 HA LYS 82 7.993 -11.798 28.313 704 HB2 LYS 82 HB2 LYS 82 6.851 -12.782 26.335 705 HB3 LYS 82 HB1 LYS 82 8.182 -12.250 25.321 706 HG2 LYS 82 HG2 LYS 82 8.788 -14.008 27.654 707 HG3 LYS 82 HG1 LYS 82 8.022 -14.719 26.234 708 HD2 LYS 82 HD2 LYS 82 9.863 -13.848 24.832 709 HD3 LYS 82 HD1 LYS 82 10.638 -13.195 26.277 710 HE2 LYS 82 HE2 LYS 82 10.816 -15.464 27.198 711 HE3 LYS 82 HE1 LYS 82 10.041 -16.111 25.752 712 HZ1 LYS 82 HZ1 LYS 82 12.476 -16.305 25.722 713 HZ2 LYS 82 HZ2 LYS 82 12.608 -14.622 25.759 714 HZ3 LYS 82 HZ3 LYS 82 11.889 -15.384 24.433 715 H LEU 83 HN LEU 83 9.269 -9.466 26.096 716 HA LEU 83 HA LEU 83 11.999 -10.167 26.122 717 HB2 LEU 83 HB2 LEU 83 11.111 -8.526 24.573 718 HB3 LEU 83 HB1 LEU 83 10.652 -7.471 25.897 719 HG LEU 83 HG LEU 83 13.092 -7.229 26.458 720 HD11 LEU 83 HD11 LEU 83 13.920 -9.263 25.408 721 HD12 LEU 83 HD12 LEU 83 14.740 -7.845 24.756 722 HD13 LEU 83 HD13 LEU 83 13.476 -8.642 23.817 723 HD21 LEU 83 HD21 LEU 83 11.925 -5.500 25.216 724 HD22 LEU 83 HD22 LEU 83 12.221 -6.354 23.702 725 HD23 LEU 83 HD23 LEU 83 13.571 -5.675 24.612 726 H ILE 84 HN ILE 84 10.061 -8.222 28.364 727 HA ILE 84 HA ILE 84 12.443 -7.817 30.043 728 HB ILE 84 HB ILE 84 10.927 -6.073 31.209 729 HG12 ILE 84 HG12 ILE 84 9.341 -5.009 29.465 730 HG13 ILE 84 HG11 ILE 84 9.386 -6.567 28.652 731 HG21 ILE 84 HG21 ILE 84 11.574 -4.360 29.553 732 HG22 ILE 84 HG22 ILE 84 11.970 -5.643 28.409 733 HG23 ILE 84 HG23 ILE 84 12.881 -5.489 29.911 734 HD11 ILE 84 HD11 ILE 84 8.424 -6.063 31.460 735 HD12 ILE 84 HD12 ILE 84 8.461 -7.627 30.643 736 HD13 ILE 84 HD13 ILE 84 7.417 -6.342 30.040 737 H GLU 85 HN GLU 85 9.463 -9.531 29.989 738 HA GLU 85 HA GLU 85 9.995 -10.455 32.738 739 HB2 GLU 85 HB2 GLU 85 7.295 -9.774 31.561 740 HB3 GLU 85 HB1 GLU 85 7.491 -10.733 33.023 741 HG2 GLU 85 HG2 GLU 85 8.688 -8.830 34.059 742 HG3 GLU 85 HG1 GLU 85 8.361 -7.878 32.613 743 HA PRO 86 HA PRO 86 9.957 -14.419 30.677 744 HB2 PRO 86 HB2 PRO 86 9.975 -15.654 33.333 745 HB3 PRO 86 HB1 PRO 86 11.253 -15.612 32.115 746 HG2 PRO 86 HG2 PRO 86 11.421 -14.245 34.451 747 HG3 PRO 86 HG1 PRO 86 12.163 -13.663 32.948 748 HD2 PRO 86 HD2 PRO 86 9.573 -12.834 34.227 749 HD3 PRO 86 HD1 PRO 86 10.842 -11.824 33.497 750 H ALA 87 HN ALA 87 7.317 -13.113 31.618 751 HA ALA 87 HA ALA 87 5.750 -15.300 32.675 752 HB1 ALA 87 HB1 ALA 87 5.340 -12.982 33.377 753 HB2 ALA 87 HB2 ALA 87 3.902 -13.719 32.672 754 HB3 ALA 87 HB3 ALA 87 4.857 -12.573 31.731 755 H HIS 88 HN HIS 88 6.691 -16.320 30.394 756 HA HIS 88 HA HIS 88 4.540 -16.022 28.399 757 HB2 HIS 88 HB2 HIS 88 6.081 -17.043 26.772 758 HB3 HIS 88 HB1 HIS 88 6.746 -15.578 27.478 759 HD1 HIS 88 HD1 HIS 88 7.482 -19.104 26.895 760 HD2 HIS 88 HD2 HIS 88 8.841 -16.115 29.441 761 HE1 HIS 88 HE1 HIS 88 9.687 -19.921 27.773 762 HE2 HIS 88 HE2 HIS 88 10.407 -18.170 29.433 763 H GLN 89 HN GLN 89 2.969 -17.438 28.807 764 HA GLN 89 HA GLN 89 3.503 -20.065 29.889 765 HB2 GLN 89 HB2 GLN 89 0.932 -18.748 28.987 766 HB3 GLN 89 HB1 GLN 89 1.020 -20.346 29.720 767 HG2 GLN 89 HG2 GLN 89 1.867 -19.413 31.773 768 HG3 GLN 89 HG1 GLN 89 1.961 -17.808 31.048 769 HE21 GLN 89 HE21 GLN 89 0.076 -16.631 30.757 770 HE22 GLN 89 HE22 GLN 89 -1.416 -17.070 31.506 771 H HIS 90 HN HIS 90 1.854 -18.935 26.904 772 HA HIS 90 HA HIS 90 3.177 -21.101 25.422 773 HB2 HIS 90 HB2 HIS 90 0.198 -20.560 25.261 774 HB3 HIS 90 HB1 HIS 90 1.089 -21.689 24.248 775 HD1 HIS 90 HD1 HIS 90 -0.698 -21.439 27.411 776 HD2 HIS 90 HD2 HIS 90 2.142 -23.968 25.746 777 HE1 HIS 90 HE1 HIS 90 -0.735 -23.507 28.828 778 HE2 HIS 90 HE2 HIS 90 0.903 -25.068 27.731 779 H GLU 91 HN GLU 91 4.483 -19.478 24.474 780 HA GLU 91 HA GLU 91 3.307 -18.369 22.084 781 HB2 GLU 91 HB2 GLU 91 4.003 -16.054 22.434 782 HB3 GLU 91 HB1 GLU 91 2.853 -16.551 23.660 783 HG2 GLU 91 HG2 GLU 91 4.394 -15.332 24.870 784 HG3 GLU 91 HG1 GLU 91 4.934 -16.988 25.129 785 H ALA 92 HN ALA 92 6.121 -18.913 24.093 786 HA ALA 92 HA ALA 92 7.885 -18.842 21.744 787 HB1 ALA 92 HB1 ALA 92 8.674 -17.704 23.766 788 HB2 ALA 92 HB2 ALA 92 9.724 -19.056 23.343 789 HB3 ALA 92 HB3 ALA 92 8.568 -19.216 24.668 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 12.485 -0.319 -4.165 2 H2 MET 1 HT2 MET 1 11.283 0.557 -4.969 3 H3 MET 1 HT3 MET 1 12.234 -0.547 -5.822 4 HA MET 1 HA MET 1 10.071 -1.483 -5.436 5 HB2 MET 1 HB2 MET 1 12.220 -2.731 -3.700 6 HB3 MET 1 HB1 MET 1 10.757 -3.549 -4.228 7 HG2 MET 1 HG2 MET 1 11.473 -3.355 -6.552 8 HG3 MET 1 HG1 MET 1 12.930 -2.504 -6.038 9 HE1 MET 1 HE1 MET 1 12.048 -6.906 -4.944 10 HE2 MET 1 HE2 MET 1 10.958 -5.909 -5.904 11 HE3 MET 1 HE3 MET 1 11.217 -5.540 -4.198 12 H THR 2 HN THR 2 8.402 -2.137 -3.994 13 HA THR 2 HA THR 2 8.351 -0.727 -1.420 14 HB THR 2 HB THR 2 5.954 -1.443 -1.328 15 HG1 THR 2 HG1 THR 2 5.082 -2.322 -3.311 16 HG21 THR 2 HG21 THR 2 5.165 0.041 -3.121 17 HG22 THR 2 HG22 THR 2 6.764 -0.009 -3.866 18 HG23 THR 2 HG23 THR 2 6.552 0.735 -2.280 19 H ALA 3 HN ALA 3 7.339 -3.970 -2.520 20 HA ALA 3 HA ALA 3 7.719 -6.062 -1.717 21 HB1 ALA 3 HB1 ALA 3 9.665 -6.510 -0.335 22 HB2 ALA 3 HB2 ALA 3 9.839 -4.790 0.018 23 HB3 ALA 3 HB3 ALA 3 10.080 -5.381 -1.626 24 H ALA 4 HN ALA 4 8.179 -7.145 0.727 25 HA ALA 4 HA ALA 4 5.839 -6.394 2.271 26 HB1 ALA 4 HB1 ALA 4 6.327 -8.763 1.859 27 HB2 ALA 4 HB2 ALA 4 6.320 -8.401 3.585 28 HB3 ALA 4 HB3 ALA 4 7.851 -8.604 2.734 29 HA PRO 5 HA PRO 5 7.788 -3.655 5.162 30 HB2 PRO 5 HB2 PRO 5 6.475 -4.552 7.478 31 HB3 PRO 5 HB1 PRO 5 5.901 -3.303 6.371 32 HG2 PRO 5 HG2 PRO 5 5.176 -6.202 6.500 33 HG3 PRO 5 HG1 PRO 5 4.150 -4.800 6.139 34 HD2 PRO 5 HD2 PRO 5 4.991 -6.420 4.188 35 HD3 PRO 5 HD1 PRO 5 4.904 -4.661 3.934 36 H ALA 6 HN ALA 6 7.316 -6.884 6.609 37 HA ALA 6 HA ALA 6 8.713 -8.386 7.558 38 HB1 ALA 6 HB1 ALA 6 10.938 -6.818 6.257 39 HB2 ALA 6 HB2 ALA 6 10.000 -8.097 5.485 40 HB3 ALA 6 HB3 ALA 6 11.029 -8.471 6.869 41 H SER 7 HN SER 7 10.846 -5.521 7.801 42 HA SER 7 HA SER 7 11.409 -6.155 10.558 43 HB2 SER 7 HB2 SER 7 12.952 -4.230 10.475 44 HB3 SER 7 HB1 SER 7 13.202 -5.315 9.109 45 HG SER 7 HG SER 7 12.446 -3.837 7.763 46 HA PRO 8 HA PRO 8 8.206 -3.942 12.616 47 HB2 PRO 8 HB2 PRO 8 9.773 -2.914 14.724 48 HB3 PRO 8 HB1 PRO 8 8.921 -4.460 14.701 49 HG2 PRO 8 HG2 PRO 8 11.791 -3.870 14.129 50 HG3 PRO 8 HG1 PRO 8 11.068 -5.276 14.932 51 HD2 PRO 8 HD2 PRO 8 11.958 -5.429 12.414 52 HD3 PRO 8 HD1 PRO 8 10.479 -6.281 12.912 53 H GLN 9 HN GLN 9 11.222 -2.215 11.915 54 HA GLN 9 HA GLN 9 10.296 0.381 12.493 55 HB2 GLN 9 HB2 GLN 9 12.136 1.142 10.963 56 HB3 GLN 9 HB1 GLN 9 12.632 0.062 12.255 57 HG2 GLN 9 HG2 GLN 9 12.596 -1.817 10.627 58 HG3 GLN 9 HG1 GLN 9 12.245 -0.649 9.354 59 HE21 GLN 9 HE21 GLN 9 14.645 -1.779 11.616 60 HE22 GLN 9 HE22 GLN 9 15.993 -0.987 10.882 61 H GLN 10 HN GLN 10 9.846 -1.605 9.594 62 HA GLN 10 HA GLN 10 8.731 0.486 7.988 63 HB2 GLN 10 HB2 GLN 10 8.891 -2.464 7.796 64 HB3 GLN 10 HB1 GLN 10 7.496 -1.750 7.008 65 HG2 GLN 10 HG2 GLN 10 9.001 -1.800 5.289 66 HG3 GLN 10 HG1 GLN 10 9.252 -0.172 5.904 67 HE21 GLN 10 HE21 GLN 10 10.802 -1.065 8.215 68 HE22 GLN 10 HE22 GLN 10 12.318 -1.598 7.611 69 H ILE 11 HN ILE 11 7.360 -1.837 10.274 70 HA ILE 11 HA ILE 11 4.636 -1.218 9.885 71 HB ILE 11 HB ILE 11 6.102 -2.283 12.309 72 HG12 ILE 11 HG12 ILE 11 4.825 -4.376 11.728 73 HG13 ILE 11 HG11 ILE 11 4.253 -3.570 10.274 74 HG21 ILE 11 HG21 ILE 11 4.167 -1.062 13.128 75 HG22 ILE 11 HG22 ILE 11 3.907 -2.798 13.298 76 HG23 ILE 11 HG23 ILE 11 3.118 -1.914 11.992 77 HD11 ILE 11 HD11 ILE 11 6.551 -3.397 9.467 78 HD12 ILE 11 HD12 ILE 11 6.103 -5.071 9.799 79 HD13 ILE 11 HD13 ILE 11 7.127 -4.191 10.933 80 H ARG 12 HN ARG 12 7.075 0.177 12.072 81 HA ARG 12 HA ARG 12 5.466 2.043 13.379 82 HB2 ARG 12 HB2 ARG 12 7.682 1.718 14.185 83 HB3 ARG 12 HB1 ARG 12 8.389 2.117 12.625 84 HG2 ARG 12 HG2 ARG 12 7.721 4.443 12.882 85 HG3 ARG 12 HG1 ARG 12 6.921 4.064 14.407 86 HD2 ARG 12 HD2 ARG 12 8.987 3.606 15.483 87 HD3 ARG 12 HD1 ARG 12 9.863 3.585 13.951 88 HE ARG 12 HE ARG 12 9.065 6.064 13.905 89 HH11 ARG 12 HH11 ARG 12 10.092 4.353 16.719 90 HH12 ARG 12 HH12 ARG 12 10.771 5.760 17.450 91 HH21 ARG 12 HH21 ARG 12 9.918 7.845 14.854 92 HH22 ARG 12 HH22 ARG 12 10.666 7.727 16.408 93 H ASP 13 HN ASP 13 7.242 2.420 10.295 94 HA ASP 13 HA ASP 13 6.538 5.080 9.785 95 HB2 ASP 13 HB2 ASP 13 8.246 3.918 8.478 96 HB3 ASP 13 HB1 ASP 13 7.028 2.837 7.803 97 H ARG 14 HN ARG 14 4.868 2.082 8.815 98 HA ARG 14 HA ARG 14 2.709 3.331 7.496 99 HB2 ARG 14 HB2 ARG 14 2.815 0.624 8.846 100 HB3 ARG 14 HB1 ARG 14 1.533 1.165 7.768 101 HG2 ARG 14 HG2 ARG 14 3.389 1.500 6.028 102 HG3 ARG 14 HG1 ARG 14 4.395 0.529 7.108 103 HD2 ARG 14 HD2 ARG 14 3.389 -0.895 5.420 104 HD3 ARG 14 HD1 ARG 14 2.709 -1.279 7.003 105 HE ARG 14 HE ARG 14 1.154 0.649 5.558 106 HH11 ARG 14 HH11 ARG 14 1.709 -2.735 5.946 107 HH12 ARG 14 HH12 ARG 14 0.148 -3.162 5.342 108 HH21 ARG 14 HH21 ARG 14 -0.834 0.083 4.813 109 HH22 ARG 14 HH22 ARG 14 -1.274 -1.587 4.700 110 H LEU 15 HN LEU 15 3.239 2.552 10.886 111 HA LEU 15 HA LEU 15 0.617 3.065 11.805 112 HB2 LEU 15 HB2 LEU 15 2.357 1.925 13.138 113 HB3 LEU 15 HB1 LEU 15 3.243 3.434 13.257 114 HG LEU 15 HG LEU 15 1.359 4.425 14.526 115 HD11 LEU 15 HD11 LEU 15 -0.419 2.960 15.387 116 HD12 LEU 15 HD12 LEU 15 0.188 1.643 14.379 117 HD13 LEU 15 HD13 LEU 15 -0.465 3.101 13.629 118 HD21 LEU 15 HD21 LEU 15 1.730 3.184 16.604 119 HD22 LEU 15 HD22 LEU 15 3.238 3.415 15.719 120 HD23 LEU 15 HD23 LEU 15 2.427 1.846 15.688 121 H LEU 16 HN LEU 16 3.462 5.197 11.520 122 HA LEU 16 HA LEU 16 2.333 7.480 12.684 123 HB2 LEU 16 HB2 LEU 16 4.663 6.968 10.909 124 HB3 LEU 16 HB1 LEU 16 4.119 8.627 11.047 125 HG LEU 16 HG LEU 16 5.943 8.153 12.610 126 HD11 LEU 16 HD11 LEU 16 4.893 9.002 14.647 127 HD12 LEU 16 HD12 LEU 16 3.300 8.601 14.004 128 HD13 LEU 16 HD13 LEU 16 4.285 9.835 13.217 129 HD21 LEU 16 HD21 LEU 16 4.058 6.137 13.843 130 HD22 LEU 16 HD22 LEU 16 5.615 6.636 14.506 131 HD23 LEU 16 HD23 LEU 16 5.549 5.772 12.974 132 H GLN 17 HN GLN 17 2.074 6.351 9.325 133 HA GLN 17 HA GLN 17 0.902 8.826 8.421 134 HB2 GLN 17 HB2 GLN 17 0.428 7.641 6.319 135 HB3 GLN 17 HB1 GLN 17 2.093 7.426 6.826 136 HG2 GLN 17 HG2 GLN 17 1.529 5.319 6.108 137 HG3 GLN 17 HG1 GLN 17 1.253 5.197 7.842 138 HE21 GLN 17 HE21 GLN 17 -0.204 3.527 7.654 139 HE22 GLN 17 HE22 GLN 17 -1.778 3.726 6.984 140 H ALA 18 HN ALA 18 -0.262 6.252 10.236 141 HA ALA 18 HA ALA 18 -3.066 6.650 9.451 142 HB1 ALA 18 HB1 ALA 18 -2.238 4.351 9.647 143 HB2 ALA 18 HB2 ALA 18 -3.529 4.683 10.799 144 HB3 ALA 18 HB3 ALA 18 -1.853 4.638 11.344 145 H ILE 19 HN ILE 19 -0.849 7.754 11.791 146 HA ILE 19 HA ILE 19 -3.039 8.682 13.541 147 HB ILE 19 HB ILE 19 -1.737 8.227 15.545 148 HG12 ILE 19 HG12 ILE 19 0.297 6.935 13.699 149 HG13 ILE 19 HG11 ILE 19 0.517 8.457 14.555 150 HG21 ILE 19 HG21 ILE 19 -1.867 5.780 15.566 151 HG22 ILE 19 HG22 ILE 19 -1.988 5.769 13.805 152 HG23 ILE 19 HG23 ILE 19 -3.272 6.495 14.773 153 HD11 ILE 19 HD11 ILE 19 1.679 6.654 15.673 154 HD12 ILE 19 HD12 ILE 19 0.172 5.750 15.824 155 HD13 ILE 19 HD13 ILE 19 0.377 7.274 16.686 156 H ASP 20 HN ASP 20 -2.446 10.510 14.954 157 HA ASP 20 HA ASP 20 -0.527 12.353 13.779 158 HB2 ASP 20 HB2 ASP 20 -2.269 12.628 16.250 159 HB3 ASP 20 HB1 ASP 20 -1.269 13.908 15.570 160 HA PRO 21 HA PRO 21 2.974 11.554 16.477 161 HB2 PRO 21 HB2 PRO 21 3.034 14.517 16.894 162 HB3 PRO 21 HB1 PRO 21 4.329 13.425 16.391 163 HG2 PRO 21 HG2 PRO 21 3.149 15.010 14.613 164 HG3 PRO 21 HG1 PRO 21 3.584 13.342 14.186 165 HD2 PRO 21 HD2 PRO 21 0.901 14.486 14.875 166 HD3 PRO 21 HD1 PRO 21 1.328 13.273 13.650 167 H GLN 22 HN GLN 22 0.250 13.468 17.481 168 HA GLN 22 HA GLN 22 0.862 13.299 20.314 169 HB2 GLN 22 HB2 GLN 22 -1.591 14.293 18.846 170 HB3 GLN 22 HB1 GLN 22 -1.368 14.388 20.585 171 HG2 GLN 22 HG2 GLN 22 0.612 15.642 18.714 172 HG3 GLN 22 HG1 GLN 22 -0.888 16.463 19.129 173 HE21 GLN 22 HE21 GLN 22 0.874 14.457 21.422 174 HE22 GLN 22 HE22 GLN 22 1.380 15.756 22.431 175 H SER 23 HN SER 23 0.219 10.872 18.451 176 HA SER 23 HA SER 23 -0.496 8.744 18.848 177 HB2 SER 23 HB2 SER 23 -1.184 9.757 21.624 178 HB3 SER 23 HB1 SER 23 -1.071 8.065 21.143 179 HG SER 23 HG SER 23 1.099 9.857 20.845 180 H ASN 24 HN ASN 24 -2.355 10.548 17.619 181 HA ASN 24 HA ASN 24 -4.947 9.532 18.626 182 HB2 ASN 24 HB2 ASN 24 -4.487 11.902 16.797 183 HB3 ASN 24 HB1 ASN 24 -6.022 11.401 17.502 184 HD21 ASN 24 HD21 ASN 24 -3.018 12.979 18.046 185 HD22 ASN 24 HD22 ASN 24 -3.371 13.582 19.624 186 H ILE 25 HN ILE 25 -6.312 8.386 17.282 187 HA ILE 25 HA ILE 25 -5.134 7.190 14.929 188 HB ILE 25 HB ILE 25 -7.911 6.839 16.090 189 HG12 ILE 25 HG12 ILE 25 -6.146 6.170 17.672 190 HG13 ILE 25 HG11 ILE 25 -7.035 4.769 17.089 191 HG21 ILE 25 HG21 ILE 25 -6.423 5.201 14.036 192 HG22 ILE 25 HG22 ILE 25 -7.865 6.177 13.760 193 HG23 ILE 25 HG23 ILE 25 -7.954 4.742 14.781 194 HD11 ILE 25 HD11 ILE 25 -4.328 5.661 16.117 195 HD12 ILE 25 HD12 ILE 25 -5.213 4.242 15.561 196 HD13 ILE 25 HD13 ILE 25 -4.647 4.332 17.230 197 H ARG 26 HN ARG 26 -5.129 8.302 13.033 198 HA ARG 26 HA ARG 26 -7.341 10.107 12.376 199 HB2 ARG 26 HB2 ARG 26 -4.803 9.526 10.836 200 HB3 ARG 26 HB1 ARG 26 -5.956 10.808 10.489 201 HG2 ARG 26 HG2 ARG 26 -5.434 11.836 12.661 202 HG3 ARG 26 HG1 ARG 26 -4.236 10.572 12.949 203 HD2 ARG 26 HD2 ARG 26 -3.180 12.600 12.106 204 HD3 ARG 26 HD1 ARG 26 -3.006 11.273 10.958 205 HE ARG 26 HE ARG 26 -5.061 12.382 9.868 206 HH11 ARG 26 HH11 ARG 26 -2.590 14.106 11.527 207 HH12 ARG 26 HH12 ARG 26 -2.728 15.496 10.507 208 HH21 ARG 26 HH21 ARG 26 -5.254 14.163 8.588 209 HH22 ARG 26 HH22 ARG 26 -4.202 15.516 8.828 210 H ASN 27 HN ASN 27 -5.765 7.219 11.061 211 HA ASN 27 HA ASN 27 -7.978 6.929 9.119 212 HB2 ASN 27 HB2 ASN 27 -5.114 5.968 8.853 213 HB3 ASN 27 HB1 ASN 27 -6.385 5.771 7.651 214 HD21 ASN 27 HD21 ASN 27 -3.789 7.152 7.509 215 HD22 ASN 27 HD22 ASN 27 -4.159 8.763 7.015 216 H MET 28 HN MET 28 -9.349 5.479 10.059 217 HA MET 28 HA MET 28 -8.627 3.436 11.843 218 HB2 MET 28 HB2 MET 28 -10.931 4.319 11.609 219 HB3 MET 28 HB1 MET 28 -11.055 3.549 10.033 220 HG2 MET 28 HG2 MET 28 -10.685 1.348 11.159 221 HG3 MET 28 HG1 MET 28 -10.776 2.189 12.706 222 HE1 MET 28 HE1 MET 28 -12.866 2.835 9.402 223 HE2 MET 28 HE2 MET 28 -14.260 1.801 9.706 224 HE3 MET 28 HE3 MET 28 -12.664 1.086 9.484 225 H VAL 29 HN VAL 29 -9.403 3.215 8.358 226 HA VAL 29 HA VAL 29 -9.002 0.453 8.104 227 HB VAL 29 HB VAL 29 -10.164 1.774 6.405 228 HG11 VAL 29 HG11 VAL 29 -8.934 3.143 4.787 229 HG12 VAL 29 HG12 VAL 29 -7.447 2.890 5.702 230 HG13 VAL 29 HG13 VAL 29 -8.785 3.782 6.426 231 HG21 VAL 29 HG21 VAL 29 -9.229 0.703 4.416 232 HG22 VAL 29 HG22 VAL 29 -9.252 -0.410 5.783 233 HG23 VAL 29 HG23 VAL 29 -7.740 0.355 5.292 234 H ALA 30 HN ALA 30 -6.689 3.129 7.694 235 HA ALA 30 HA ALA 30 -4.494 1.567 6.849 236 HB1 ALA 30 HB1 ALA 30 -3.112 3.485 7.492 237 HB2 ALA 30 HB2 ALA 30 -4.487 4.188 8.346 238 HB3 ALA 30 HB3 ALA 30 -4.543 3.993 6.593 239 H VAL 31 HN VAL 31 -5.547 2.604 10.087 240 HA VAL 31 HA VAL 31 -3.515 1.382 11.590 241 HB VAL 31 HB VAL 31 -6.388 2.056 12.242 242 HG11 VAL 31 HG11 VAL 31 -5.802 0.116 13.616 243 HG12 VAL 31 HG12 VAL 31 -5.915 1.577 14.595 244 HG13 VAL 31 HG13 VAL 31 -4.336 0.934 14.151 245 HG21 VAL 31 HG21 VAL 31 -5.376 3.786 13.622 246 HG22 VAL 31 HG22 VAL 31 -4.790 3.903 11.962 247 HG23 VAL 31 HG23 VAL 31 -3.764 3.194 13.213 248 H LEU 32 HN LEU 32 -6.639 0.091 10.470 249 HA LEU 32 HA LEU 32 -6.506 -2.442 11.622 250 HB2 LEU 32 HB2 LEU 32 -7.690 -1.655 8.952 251 HB3 LEU 32 HB1 LEU 32 -8.004 -3.169 9.781 252 HG LEU 32 HG LEU 32 -8.734 -0.427 10.837 253 HD11 LEU 32 HD11 LEU 32 -10.084 -1.046 8.902 254 HD12 LEU 32 HD12 LEU 32 -11.040 -1.065 10.381 255 HD13 LEU 32 HD13 LEU 32 -10.492 -2.582 9.667 256 HD21 LEU 32 HD21 LEU 32 -9.386 -3.175 11.913 257 HD22 LEU 32 HD22 LEU 32 -9.957 -1.639 12.568 258 HD23 LEU 32 HD23 LEU 32 -8.240 -2.035 12.618 259 H GLU 33 HN GLU 33 -5.093 -1.275 8.581 260 HA GLU 33 HA GLU 33 -3.969 -3.694 7.698 261 HB2 GLU 33 HB2 GLU 33 -2.926 -0.871 7.351 262 HB3 GLU 33 HB1 GLU 33 -2.346 -2.270 6.459 263 HG2 GLU 33 HG2 GLU 33 -4.614 -2.563 5.514 264 HG3 GLU 33 HG1 GLU 33 -5.123 -1.098 6.352 265 H VAL 34 HN VAL 34 -2.632 -1.181 9.848 266 HA VAL 34 HA VAL 34 -0.104 -2.330 10.278 267 HB VAL 34 HB VAL 34 -1.731 -0.605 12.166 268 HG11 VAL 34 HG11 VAL 34 0.033 -1.783 13.380 269 HG12 VAL 34 HG12 VAL 34 0.412 -0.068 13.246 270 HG13 VAL 34 HG13 VAL 34 1.229 -1.234 12.205 271 HG21 VAL 34 HG21 VAL 34 -0.362 1.239 11.288 272 HG22 VAL 34 HG22 VAL 34 -1.316 0.471 10.020 273 HG23 VAL 34 HG23 VAL 34 0.407 0.123 10.158 274 H ILE 35 HN ILE 35 -3.069 -2.627 12.267 275 HA ILE 35 HA ILE 35 -2.020 -4.432 14.146 276 HB ILE 35 HB ILE 35 -4.839 -3.852 13.253 277 HG12 ILE 35 HG12 ILE 35 -5.042 -3.027 15.610 278 HG13 ILE 35 HG11 ILE 35 -3.347 -3.409 15.861 279 HG21 ILE 35 HG21 ILE 35 -4.885 -6.204 13.790 280 HG22 ILE 35 HG22 ILE 35 -5.668 -5.300 15.085 281 HG23 ILE 35 HG23 ILE 35 -4.030 -5.914 15.305 282 HD11 ILE 35 HD11 ILE 35 -2.720 -1.775 14.176 283 HD12 ILE 35 HD12 ILE 35 -3.669 -1.052 15.474 284 HD13 ILE 35 HD13 ILE 35 -4.424 -1.394 13.916 285 H SER 36 HN SER 36 -3.694 -5.044 11.063 286 HA SER 36 HA SER 36 -3.756 -7.854 11.216 287 HB2 SER 36 HB2 SER 36 -5.036 -6.548 9.539 288 HB3 SER 36 HB1 SER 36 -3.530 -6.154 8.713 289 HG SER 36 HG SER 36 -4.864 -8.627 8.920 290 H SER 37 HN SER 37 -1.281 -5.669 9.853 291 HA SER 37 HA SER 37 0.492 -7.730 9.029 292 HB2 SER 37 HB2 SER 37 2.211 -5.977 8.854 293 HB3 SER 37 HB1 SER 37 0.695 -5.450 8.132 294 HG SER 37 HG SER 37 0.994 -4.786 10.798 295 H LEU 38 HN LEU 38 0.098 -5.998 12.082 296 HA LEU 38 HA LEU 38 2.427 -6.899 13.384 297 HB2 LEU 38 HB2 LEU 38 -0.276 -6.071 14.431 298 HB3 LEU 38 HB1 LEU 38 1.035 -6.525 15.499 299 HG LEU 38 HG LEU 38 1.127 -4.232 13.534 300 HD11 LEU 38 HD11 LEU 38 -0.442 -3.791 15.350 301 HD12 LEU 38 HD12 LEU 38 1.003 -2.795 15.510 302 HD13 LEU 38 HD13 LEU 38 0.795 -4.213 16.537 303 HD21 LEU 38 HD21 LEU 38 3.074 -5.095 15.677 304 HD22 LEU 38 HD22 LEU 38 3.191 -3.619 14.721 305 HD23 LEU 38 HD23 LEU 38 3.329 -5.191 13.935 306 H GLU 39 HN GLU 39 -0.720 -8.433 12.935 307 HA GLU 39 HA GLU 39 -0.391 -10.631 14.660 308 HB2 GLU 39 HB2 GLU 39 -1.861 -10.495 12.012 309 HB3 GLU 39 HB1 GLU 39 -2.045 -11.772 13.207 310 HG2 GLU 39 HG2 GLU 39 -2.922 -10.143 14.813 311 HG3 GLU 39 HG1 GLU 39 -2.748 -8.866 13.605 312 H LYS 40 HN LYS 40 0.730 -10.073 11.364 313 HA LYS 40 HA LYS 40 1.820 -12.786 11.174 314 HB2 LYS 40 HB2 LYS 40 1.692 -10.573 9.106 315 HB3 LYS 40 HB1 LYS 40 2.200 -12.231 8.807 316 HG2 LYS 40 HG2 LYS 40 -0.008 -13.060 9.299 317 HG3 LYS 40 HG1 LYS 40 -0.542 -11.456 9.796 318 HD2 LYS 40 HD2 LYS 40 -0.190 -10.640 7.496 319 HD3 LYS 40 HD1 LYS 40 0.313 -12.261 7.007 320 HE2 LYS 40 HE2 LYS 40 -1.882 -13.144 7.544 321 HE3 LYS 40 HE1 LYS 40 -2.394 -11.576 8.168 322 HZ1 LYS 40 HZ1 LYS 40 -3.241 -11.921 5.959 323 HZ2 LYS 40 HZ2 LYS 40 -1.690 -12.194 5.348 324 HZ3 LYS 40 HZ3 LYS 40 -2.115 -10.660 5.931 325 H TYR 41 HN TYR 41 2.862 -9.589 11.848 326 HA TYR 41 HA TYR 41 5.676 -10.455 11.846 327 HB2 TYR 41 HB2 TYR 41 4.688 -7.767 10.846 328 HB3 TYR 41 HB1 TYR 41 6.377 -8.220 11.047 329 HD1 TYR 41 HD1 TYR 41 7.350 -10.007 9.580 330 HD2 TYR 41 HD2 TYR 41 3.470 -8.387 8.891 331 HE1 TYR 41 HE1 TYR 41 7.394 -10.887 7.285 332 HE2 TYR 41 HE2 TYR 41 3.508 -9.265 6.596 333 HH TYR 41 HH TYR 41 5.173 -9.932 4.903 334 HA PRO 42 HA PRO 42 4.612 -8.690 15.977 335 HB2 PRO 42 HB2 PRO 42 6.566 -10.664 16.941 336 HB3 PRO 42 HB1 PRO 42 4.869 -10.463 17.384 337 HG2 PRO 42 HG2 PRO 42 5.730 -12.564 15.920 338 HG3 PRO 42 HG1 PRO 42 4.126 -11.843 15.686 339 HD2 PRO 42 HD2 PRO 42 6.634 -11.448 14.076 340 HD3 PRO 42 HD1 PRO 42 4.964 -11.690 13.515 341 H ILE 43 HN ILE 43 5.769 -7.200 17.167 342 HA ILE 43 HA ILE 43 8.193 -6.166 16.100 343 HB ILE 43 HB ILE 43 7.003 -5.583 18.825 344 HG12 ILE 43 HG12 ILE 43 5.325 -5.194 17.079 345 HG13 ILE 43 HG11 ILE 43 5.883 -3.666 17.744 346 HG21 ILE 43 HG21 ILE 43 8.881 -3.972 17.092 347 HG22 ILE 43 HG22 ILE 43 9.299 -4.806 18.590 348 HG23 ILE 43 HG23 ILE 43 8.183 -3.440 18.623 349 HD11 ILE 43 HD11 ILE 43 6.761 -4.872 15.128 350 HD12 ILE 43 HD12 ILE 43 7.302 -3.330 15.790 351 HD13 ILE 43 HD13 ILE 43 5.612 -3.550 15.335 352 H THR 44 HN THR 44 10.240 -6.790 16.474 353 HA THR 44 HA THR 44 10.738 -9.080 18.107 354 HB THR 44 HB THR 44 12.843 -7.361 16.768 355 HG1 THR 44 HG1 THR 44 11.195 -9.434 15.690 356 HG21 THR 44 HG21 THR 44 13.710 -9.093 18.280 357 HG22 THR 44 HG22 THR 44 14.066 -9.488 16.598 358 HG23 THR 44 HG23 THR 44 12.755 -10.313 17.438 359 H LYS 45 HN LYS 45 12.626 -9.157 19.687 360 HA LYS 45 HA LYS 45 11.670 -7.851 21.941 361 HB2 LYS 45 HB2 LYS 45 12.792 -9.982 22.042 362 HB3 LYS 45 HB1 LYS 45 14.295 -9.268 21.477 363 HG2 LYS 45 HG2 LYS 45 14.475 -7.978 23.541 364 HG3 LYS 45 HG1 LYS 45 12.948 -8.658 24.108 365 HD2 LYS 45 HD2 LYS 45 14.901 -9.795 25.098 366 HD3 LYS 45 HD1 LYS 45 13.917 -10.891 24.127 367 HE2 LYS 45 HE2 LYS 45 15.491 -10.723 22.283 368 HE3 LYS 45 HE1 LYS 45 16.438 -9.526 23.166 369 HZ1 LYS 45 HZ1 LYS 45 16.982 -11.186 24.808 370 HZ2 LYS 45 HZ2 LYS 45 17.409 -11.748 23.272 371 HZ3 LYS 45 HZ3 LYS 45 16.018 -12.336 24.029 372 H GLU 46 HN GLU 46 14.702 -7.088 20.164 373 HA GLU 46 HA GLU 46 15.446 -5.007 21.981 374 HB2 GLU 46 HB2 GLU 46 17.236 -4.478 20.495 375 HB3 GLU 46 HB1 GLU 46 17.076 -6.226 20.511 376 HG2 GLU 46 HG2 GLU 46 15.961 -4.436 18.354 377 HG3 GLU 46 HG1 GLU 46 17.525 -5.242 18.273 378 H ALA 47 HN ALA 47 13.514 -5.118 19.075 379 HA ALA 47 HA ALA 47 13.671 -2.463 18.231 380 HB1 ALA 47 HB1 ALA 47 11.648 -2.898 16.961 381 HB2 ALA 47 HB2 ALA 47 11.310 -4.323 17.946 382 HB3 ALA 47 HB3 ALA 47 12.725 -4.294 16.891 383 H LEU 48 HN LEU 48 11.557 -3.874 20.728 384 HA LEU 48 HA LEU 48 9.812 -1.689 21.022 385 HB2 LEU 48 HB2 LEU 48 10.756 -3.704 23.065 386 HB3 LEU 48 HB1 LEU 48 9.555 -2.480 23.421 387 HG LEU 48 HG LEU 48 8.226 -3.480 21.444 388 HD11 LEU 48 HD11 LEU 48 10.074 -5.794 22.012 389 HD12 LEU 48 HD12 LEU 48 10.015 -4.855 20.519 390 HD13 LEU 48 HD13 LEU 48 8.632 -5.840 20.996 391 HD21 LEU 48 HD21 LEU 48 7.552 -3.659 23.787 392 HD22 LEU 48 HD22 LEU 48 8.587 -5.074 23.985 393 HD23 LEU 48 HD23 LEU 48 7.196 -5.142 22.902 394 H GLU 49 HN GLU 49 12.921 -2.338 22.621 395 HA GLU 49 HA GLU 49 12.922 0.065 24.170 396 HB2 GLU 49 HB2 GLU 49 14.239 -1.945 24.774 397 HB3 GLU 49 HB1 GLU 49 15.245 -1.701 23.352 398 HG2 GLU 49 HG2 GLU 49 15.884 0.537 24.305 399 HG3 GLU 49 HG1 GLU 49 15.045 0.071 25.784 400 H GLU 50 HN GLU 50 14.451 -0.880 21.111 401 HA GLU 50 HA GLU 50 16.021 1.461 20.801 402 HB2 GLU 50 HB2 GLU 50 16.620 -0.616 19.705 403 HB3 GLU 50 HB1 GLU 50 15.117 -0.611 18.792 404 HG2 GLU 50 HG2 GLU 50 15.855 1.456 17.652 405 HG3 GLU 50 HG1 GLU 50 17.388 1.354 18.516 406 H THR 51 HN THR 51 13.006 0.471 19.127 407 HA THR 51 HA THR 51 12.808 3.189 18.004 408 HB THR 51 HB THR 51 11.152 2.223 16.420 409 HG1 THR 51 HG1 THR 51 11.922 -0.366 17.204 410 HG21 THR 51 HG21 THR 51 12.755 0.878 15.112 411 HG22 THR 51 HG22 THR 51 13.810 0.777 16.521 412 HG23 THR 51 HG23 THR 51 13.502 2.338 15.761 413 H ARG 52 HN ARG 52 11.700 1.644 20.648 414 HA ARG 52 HA ARG 52 10.136 2.142 22.203 415 HB2 ARG 52 HB2 ARG 52 9.796 4.587 20.464 416 HB3 ARG 52 HB1 ARG 52 8.949 4.374 21.992 417 HG2 ARG 52 HG2 ARG 52 11.950 4.385 21.657 418 HG3 ARG 52 HG1 ARG 52 10.979 5.749 22.219 419 HD2 ARG 52 HD2 ARG 52 10.349 4.606 24.201 420 HD3 ARG 52 HD1 ARG 52 10.955 3.064 23.593 421 HE ARG 52 HE ARG 52 13.115 4.797 23.678 422 HH11 ARG 52 HH11 ARG 52 10.884 3.469 25.942 423 HH12 ARG 52 HH12 ARG 52 12.055 3.381 27.206 424 HH21 ARG 52 HH21 ARG 52 14.609 4.661 25.307 425 HH22 ARG 52 HH22 ARG 52 14.138 4.041 26.854 426 H LEU 53 HN LEU 53 9.346 0.568 19.751 427 HA LEU 53 HA LEU 53 6.600 0.996 19.273 428 HB2 LEU 53 HB2 LEU 53 8.482 -1.257 18.900 429 HB3 LEU 53 HB1 LEU 53 6.786 -1.693 18.979 430 HG LEU 53 HG LEU 53 7.596 -1.372 16.659 431 HD11 LEU 53 HD11 LEU 53 5.520 0.643 17.533 432 HD12 LEU 53 HD12 LEU 53 5.229 -1.062 17.180 433 HD13 LEU 53 HD13 LEU 53 5.746 0.028 15.895 434 HD21 LEU 53 HD21 LEU 53 8.083 0.873 15.831 435 HD22 LEU 53 HD22 LEU 53 9.233 0.400 17.080 436 HD23 LEU 53 HD23 LEU 53 7.931 1.524 17.464 437 H GLY 54 HN GLY 54 8.133 0.010 22.141 438 HA2 GLY 54 HA2 GLY 54 6.144 -1.483 23.436 439 HA3 GLY 54 HA1 GLY 54 7.241 -0.363 24.231 440 H LYS 55 HN LYS 55 6.350 1.938 22.725 441 HA LYS 55 HA LYS 55 4.268 2.962 24.271 442 HB2 LYS 55 HB2 LYS 55 5.587 4.556 23.219 443 HB3 LYS 55 HB1 LYS 55 5.599 3.698 21.691 444 HG2 LYS 55 HG2 LYS 55 4.410 5.756 21.437 445 HG3 LYS 55 HG1 LYS 55 3.272 4.418 21.301 446 HD2 LYS 55 HD2 LYS 55 2.420 4.830 23.505 447 HD3 LYS 55 HD1 LYS 55 3.694 6.008 23.838 448 HE2 LYS 55 HE2 LYS 55 2.793 7.561 22.284 449 HE3 LYS 55 HE1 LYS 55 1.718 6.349 21.587 450 HZ1 LYS 55 HZ1 LYS 55 0.424 6.332 23.569 451 HZ2 LYS 55 HZ2 LYS 55 0.592 7.937 23.068 452 HZ3 LYS 55 HZ3 LYS 55 1.508 7.356 24.369 453 H LEU 56 HN LEU 56 4.167 1.278 21.165 454 HA LEU 56 HA LEU 56 1.519 1.765 20.424 455 HB2 LEU 56 HB2 LEU 56 3.284 0.741 19.005 456 HB3 LEU 56 HB1 LEU 56 3.151 -0.737 19.932 457 HG LEU 56 HG LEU 56 0.746 0.357 18.484 458 HD11 LEU 56 HD11 LEU 56 2.511 0.294 16.810 459 HD12 LEU 56 HD12 LEU 56 1.345 -0.999 16.529 460 HD13 LEU 56 HD13 LEU 56 2.907 -1.365 17.264 461 HD21 LEU 56 HD21 LEU 56 1.602 -2.463 19.165 462 HD22 LEU 56 HD22 LEU 56 0.086 -1.987 18.400 463 HD23 LEU 56 HD23 LEU 56 0.422 -1.506 20.060 464 H ILE 57 HN ILE 57 2.827 -0.514 22.751 465 HA ILE 57 HA ILE 57 0.719 -2.345 22.921 466 HB ILE 57 HB ILE 57 2.610 -1.470 25.117 467 HG12 ILE 57 HG12 ILE 57 2.795 -3.756 23.128 468 HG13 ILE 57 HG11 ILE 57 3.759 -2.283 23.093 469 HG21 ILE 57 HG21 ILE 57 0.688 -2.646 26.043 470 HG22 ILE 57 HG22 ILE 57 2.128 -3.659 26.143 471 HG23 ILE 57 HG23 ILE 57 0.917 -3.968 24.898 472 HD11 ILE 57 HD11 ILE 57 4.780 -2.902 25.224 473 HD12 ILE 57 HD12 ILE 57 5.026 -4.144 23.996 474 HD13 ILE 57 HD13 ILE 57 3.815 -4.378 25.257 475 H ASN 58 HN ASN 58 1.214 0.679 24.741 476 HA ASN 58 HA ASN 58 -1.117 0.394 26.365 477 HB2 ASN 58 HB2 ASN 58 0.289 2.972 25.620 478 HB3 ASN 58 HB1 ASN 58 -0.752 2.697 27.013 479 HD21 ASN 58 HD21 ASN 58 2.367 2.193 25.634 480 HD22 ASN 58 HD22 ASN 58 3.135 1.627 27.071 481 H ASP 59 HN ASP 59 -0.427 2.132 23.358 482 HA ASP 59 HA ASP 59 -2.885 3.496 23.226 483 HB2 ASP 59 HB2 ASP 59 -0.784 2.892 21.153 484 HB3 ASP 59 HB1 ASP 59 -2.202 3.886 20.814 485 H VAL 60 HN VAL 60 -1.839 0.439 21.687 486 HA VAL 60 HA VAL 60 -4.269 0.021 20.269 487 HB VAL 60 HB VAL 60 -2.160 -1.194 19.748 488 HG11 VAL 60 HG11 VAL 60 -2.762 -2.785 22.243 489 HG12 VAL 60 HG12 VAL 60 -1.422 -1.659 22.033 490 HG13 VAL 60 HG13 VAL 60 -1.493 -3.132 21.068 491 HG21 VAL 60 HG21 VAL 60 -4.521 -2.982 20.359 492 HG22 VAL 60 HG22 VAL 60 -3.196 -3.365 19.257 493 HG23 VAL 60 HG23 VAL 60 -4.288 -2.026 18.892 494 H ARG 61 HN ARG 61 -3.242 -0.677 23.532 495 HA ARG 61 HA ARG 61 -5.414 -2.332 24.312 496 HB2 ARG 61 HB2 ARG 61 -3.373 -2.358 25.565 497 HB3 ARG 61 HB1 ARG 61 -3.449 -0.628 25.850 498 HG2 ARG 61 HG2 ARG 61 -5.420 -0.960 27.283 499 HG3 ARG 61 HG1 ARG 61 -5.306 -2.702 27.012 500 HD2 ARG 61 HD2 ARG 61 -3.125 -2.767 28.063 501 HD3 ARG 61 HD1 ARG 61 -3.115 -1.011 28.234 502 HE ARG 61 HE ARG 61 -5.369 -1.971 29.554 503 HH11 ARG 61 HH11 ARG 61 -1.945 -2.175 29.837 504 HH12 ARG 61 HH12 ARG 61 -1.992 -2.394 31.549 505 HH21 ARG 61 HH21 ARG 61 -5.413 -2.220 31.756 506 HH22 ARG 61 HH22 ARG 61 -3.930 -2.413 32.625 507 H LYS 62 HN LYS 62 -4.869 1.173 24.481 508 HA LYS 62 HA LYS 62 -7.332 1.613 25.966 509 HB2 LYS 62 HB2 LYS 62 -5.090 2.823 26.310 510 HB3 LYS 62 HB1 LYS 62 -5.476 3.727 24.857 511 HG2 LYS 62 HG2 LYS 62 -7.324 3.660 27.233 512 HG3 LYS 62 HG1 LYS 62 -5.994 4.810 27.106 513 HD2 LYS 62 HD2 LYS 62 -6.946 5.680 25.015 514 HD3 LYS 62 HD1 LYS 62 -8.274 4.526 25.138 515 HE2 LYS 62 HE2 LYS 62 -8.924 5.557 27.294 516 HE3 LYS 62 HE1 LYS 62 -7.649 6.755 27.075 517 HZ1 LYS 62 HZ1 LYS 62 -9.970 6.350 25.265 518 HZ2 LYS 62 HZ2 LYS 62 -8.753 7.510 25.062 519 HZ3 LYS 62 HZ3 LYS 62 -9.800 7.604 26.388 520 H LYS 63 HN LYS 63 -6.161 2.060 22.665 521 HA LYS 63 HA LYS 63 -8.654 3.449 21.935 522 HB2 LYS 63 HB2 LYS 63 -5.944 3.410 20.603 523 HB3 LYS 63 HB1 LYS 63 -7.376 4.078 19.832 524 HG2 LYS 63 HG2 LYS 63 -7.603 5.612 21.828 525 HG3 LYS 63 HG1 LYS 63 -6.002 5.059 22.330 526 HD2 LYS 63 HD2 LYS 63 -6.583 6.272 19.623 527 HD3 LYS 63 HD1 LYS 63 -6.039 7.210 21.013 528 HE2 LYS 63 HE2 LYS 63 -4.489 4.822 20.052 529 HE3 LYS 63 HE1 LYS 63 -4.285 6.403 19.299 530 HZ1 LYS 63 HZ1 LYS 63 -3.621 7.320 21.394 531 HZ2 LYS 63 HZ2 LYS 63 -2.669 5.962 21.076 532 HZ3 LYS 63 HZ3 LYS 63 -3.931 5.865 22.199 533 H THR 64 HN THR 64 -8.122 0.410 22.110 534 HA THR 64 HA THR 64 -8.098 -0.663 19.497 535 HB THR 64 HB THR 64 -7.601 -2.085 21.407 536 HG1 THR 64 HG1 THR 64 -8.500 -3.818 20.500 537 HG21 THR 64 HG21 THR 64 -10.522 -1.769 22.139 538 HG22 THR 64 HG22 THR 64 -9.148 -1.131 23.046 539 HG23 THR 64 HG23 THR 64 -9.384 -2.875 22.912 540 H LYS 65 HN LYS 65 -9.781 -1.767 18.349 541 HA LYS 65 HA LYS 65 -11.987 -0.188 17.725 542 HB2 LYS 65 HB2 LYS 65 -11.078 -1.811 16.160 543 HB3 LYS 65 HB1 LYS 65 -11.531 -3.138 17.220 544 HG2 LYS 65 HG2 LYS 65 -13.921 -2.499 16.900 545 HG3 LYS 65 HG1 LYS 65 -13.393 -1.306 15.712 546 HD2 LYS 65 HD2 LYS 65 -12.861 -4.281 15.531 547 HD3 LYS 65 HD1 LYS 65 -14.163 -3.438 14.692 548 HE2 LYS 65 HE2 LYS 65 -12.507 -2.079 13.492 549 HE3 LYS 65 HE1 LYS 65 -11.207 -2.925 14.329 550 HZ1 LYS 65 HZ1 LYS 65 -11.797 -4.950 13.258 551 HZ2 LYS 65 HZ2 LYS 65 -11.686 -3.765 12.054 552 HZ3 LYS 65 HZ3 LYS 65 -13.200 -4.277 12.600 553 H ASN 66 HN ASN 66 -12.006 -3.294 19.498 554 HA ASN 66 HA ASN 66 -14.550 -2.480 20.753 555 HB2 ASN 66 HB2 ASN 66 -15.007 -4.223 19.105 556 HB3 ASN 66 HB1 ASN 66 -13.766 -5.255 19.809 557 HD21 ASN 66 HD21 ASN 66 -15.354 -6.869 20.098 558 HD22 ASN 66 HD22 ASN 66 -16.502 -6.777 21.389 559 H GLU 67 HN GLU 67 -14.686 -2.679 22.919 560 HA GLU 67 HA GLU 67 -12.459 -2.896 24.557 561 HB2 GLU 67 HB2 GLU 67 -14.603 -1.871 25.216 562 HB3 GLU 67 HB1 GLU 67 -15.350 -3.461 25.262 563 HG2 GLU 67 HG2 GLU 67 -13.769 -4.097 27.069 564 HG3 GLU 67 HG1 GLU 67 -13.158 -2.443 27.062 565 H GLU 68 HN GLU 68 -14.784 -5.405 23.634 566 HA GLU 68 HA GLU 68 -13.772 -7.492 25.254 567 HB2 GLU 68 HB2 GLU 68 -15.158 -7.742 22.576 568 HB3 GLU 68 HB1 GLU 68 -15.043 -8.982 23.816 569 HG2 GLU 68 HG2 GLU 68 -16.436 -7.685 25.304 570 HG3 GLU 68 HG1 GLU 68 -16.477 -6.354 24.148 571 H LEU 69 HN LEU 69 -12.860 -6.300 22.085 572 HA LEU 69 HA LEU 69 -11.294 -8.452 21.188 573 HB2 LEU 69 HB2 LEU 69 -12.140 -6.442 19.878 574 HB3 LEU 69 HB1 LEU 69 -10.821 -5.526 20.572 575 HG LEU 69 HG LEU 69 -10.316 -8.019 18.941 576 HD11 LEU 69 HD11 LEU 69 -9.986 -6.567 16.988 577 HD12 LEU 69 HD12 LEU 69 -10.579 -5.188 17.918 578 HD13 LEU 69 HD13 LEU 69 -11.657 -6.537 17.554 579 HD21 LEU 69 HD21 LEU 69 -8.142 -6.952 18.534 580 HD22 LEU 69 HD22 LEU 69 -8.433 -7.193 20.256 581 HD23 LEU 69 HD23 LEU 69 -8.621 -5.590 19.548 582 H ALA 70 HN ALA 70 -10.542 -5.731 23.302 583 HA ALA 70 HA ALA 70 -7.758 -5.850 23.347 584 HB1 ALA 70 HB1 ALA 70 -9.578 -5.135 25.647 585 HB2 ALA 70 HB2 ALA 70 -9.088 -4.042 24.351 586 HB3 ALA 70 HB3 ALA 70 -7.882 -4.679 25.471 587 H LYS 71 HN LYS 71 -10.094 -7.849 25.106 588 HA LYS 71 HA LYS 71 -8.323 -9.064 26.936 589 HB2 LYS 71 HB2 LYS 71 -10.847 -10.143 25.650 590 HB3 LYS 71 HB1 LYS 71 -9.977 -10.986 26.919 591 HG2 LYS 71 HG2 LYS 71 -11.865 -9.861 27.871 592 HG3 LYS 71 HG1 LYS 71 -10.392 -9.074 28.434 593 HD2 LYS 71 HD2 LYS 71 -10.740 -7.192 27.069 594 HD3 LYS 71 HD1 LYS 71 -11.909 -8.035 26.053 595 HE2 LYS 71 HE2 LYS 71 -12.974 -6.395 27.556 596 HE3 LYS 71 HE1 LYS 71 -13.532 -8.041 27.850 597 HZ1 LYS 71 HZ1 LYS 71 -12.248 -8.177 29.802 598 HZ2 LYS 71 HZ2 LYS 71 -13.013 -6.669 29.871 599 HZ3 LYS 71 HZ3 LYS 71 -11.382 -6.772 29.443 600 H ARG 72 HN ARG 72 -9.282 -9.981 23.655 601 HA ARG 72 HA ARG 72 -7.655 -12.341 23.540 602 HB2 ARG 72 HB2 ARG 72 -9.121 -10.754 21.423 603 HB3 ARG 72 HB1 ARG 72 -8.177 -12.186 21.047 604 HG2 ARG 72 HG2 ARG 72 -10.566 -12.680 21.222 605 HG3 ARG 72 HG1 ARG 72 -9.626 -13.554 22.429 606 HD2 ARG 72 HD2 ARG 72 -10.317 -12.031 24.157 607 HD3 ARG 72 HD1 ARG 72 -11.084 -10.968 22.979 608 HE ARG 72 HE ARG 72 -12.821 -12.550 22.718 609 HH11 ARG 72 HH11 ARG 72 -10.556 -13.515 25.140 610 HH12 ARG 72 HH12 ARG 72 -11.699 -14.536 25.939 611 HH21 ARG 72 HH21 ARG 72 -14.249 -13.853 23.743 612 HH22 ARG 72 HH22 ARG 72 -13.761 -14.750 25.140 613 H ALA 73 HN ALA 73 -7.300 -9.005 22.452 614 HA ALA 73 HA ALA 73 -5.040 -9.358 20.805 615 HB1 ALA 73 HB1 ALA 73 -4.822 -6.939 20.873 616 HB2 ALA 73 HB2 ALA 73 -5.911 -6.862 22.259 617 HB3 ALA 73 HB3 ALA 73 -6.517 -7.400 20.692 618 H LYS 74 HN LYS 74 -5.301 -8.774 24.282 619 HA LYS 74 HA LYS 74 -2.777 -7.744 24.771 620 HB2 LYS 74 HB2 LYS 74 -4.618 -7.880 26.459 621 HB3 LYS 74 HB1 LYS 74 -4.240 -9.588 26.670 622 HG2 LYS 74 HG2 LYS 74 -1.995 -9.032 27.425 623 HG3 LYS 74 HG1 LYS 74 -2.300 -7.321 27.134 624 HD2 LYS 74 HD2 LYS 74 -2.503 -7.744 29.488 625 HD3 LYS 74 HD1 LYS 74 -4.111 -7.412 28.844 626 HE2 LYS 74 HE2 LYS 74 -4.679 -9.737 28.885 627 HE3 LYS 74 HE1 LYS 74 -3.019 -10.193 29.270 628 HZ1 LYS 74 HZ1 LYS 74 -4.741 -8.547 31.038 629 HZ2 LYS 74 HZ2 LYS 74 -3.219 -9.178 31.405 630 HZ3 LYS 74 HZ3 LYS 74 -4.540 -10.217 31.201 631 H LYS 75 HN LYS 75 -3.674 -11.139 24.337 632 HA LYS 75 HA LYS 75 -1.367 -12.366 25.323 633 HB2 LYS 75 HB2 LYS 75 -3.245 -13.161 23.095 634 HB3 LYS 75 HB1 LYS 75 -1.864 -14.157 23.527 635 HG2 LYS 75 HG2 LYS 75 -3.724 -15.081 24.642 636 HG3 LYS 75 HG1 LYS 75 -2.784 -14.237 25.872 637 HD2 LYS 75 HD2 LYS 75 -4.332 -12.347 25.776 638 HD3 LYS 75 HD1 LYS 75 -5.252 -13.149 24.500 639 HE2 LYS 75 HE2 LYS 75 -5.724 -15.011 26.073 640 HE3 LYS 75 HE1 LYS 75 -4.890 -14.112 27.341 641 HZ1 LYS 75 HZ1 LYS 75 -6.523 -12.350 27.115 642 HZ2 LYS 75 HZ2 LYS 75 -7.282 -13.820 27.461 643 HZ3 LYS 75 HZ3 LYS 75 -7.314 -13.203 25.890 644 H LEU 76 HN LEU 76 -1.929 -10.828 22.185 645 HA LEU 76 HA LEU 76 0.514 -11.638 20.975 646 HB2 LEU 76 HB2 LEU 76 -1.310 -9.294 20.405 647 HB3 LEU 76 HB1 LEU 76 0.097 -9.675 19.434 648 HG LEU 76 HG LEU 76 -1.837 -10.509 18.297 649 HD11 LEU 76 HD11 LEU 76 -1.325 -12.892 18.110 650 HD12 LEU 76 HD12 LEU 76 -0.368 -12.806 19.591 651 HD13 LEU 76 HD13 LEU 76 0.143 -11.911 18.157 652 HD21 LEU 76 HD21 LEU 76 -2.525 -12.016 20.823 653 HD22 LEU 76 HD22 LEU 76 -3.370 -12.150 19.279 654 HD23 LEU 76 HD23 LEU 76 -3.393 -10.626 20.168 655 H LEU 77 HN LEU 77 -0.424 -8.713 22.772 656 HA LEU 77 HA LEU 77 2.080 -7.404 22.620 657 HB2 LEU 77 HB2 LEU 77 -0.115 -7.180 24.691 658 HB3 LEU 77 HB1 LEU 77 1.290 -6.136 24.644 659 HG LEU 77 HG LEU 77 -0.493 -4.916 23.670 660 HD11 LEU 77 HD11 LEU 77 1.194 -6.014 21.425 661 HD12 LEU 77 HD12 LEU 77 1.623 -4.684 22.500 662 HD13 LEU 77 HD13 LEU 77 0.265 -4.515 21.391 663 HD21 LEU 77 HD21 LEU 77 -1.856 -5.718 21.818 664 HD22 LEU 77 HD22 LEU 77 -2.017 -6.770 23.225 665 HD23 LEU 77 HD23 LEU 77 -1.020 -7.271 21.858 666 H ARG 78 HN ARG 78 0.793 -9.810 24.853 667 HA ARG 78 HA ARG 78 2.830 -9.773 26.791 668 HB2 ARG 78 HB2 ARG 78 0.993 -11.980 25.848 669 HB3 ARG 78 HB1 ARG 78 2.121 -12.199 27.180 670 HG2 ARG 78 HG2 ARG 78 -0.002 -10.056 27.124 671 HG3 ARG 78 HG1 ARG 78 -0.225 -11.648 27.855 672 HD2 ARG 78 HD2 ARG 78 1.909 -9.652 28.643 673 HD3 ARG 78 HD1 ARG 78 0.400 -9.924 29.516 674 HE ARG 78 HE ARG 78 1.390 -12.369 29.551 675 HH11 ARG 78 HH11 ARG 78 2.994 -9.377 30.191 676 HH12 ARG 78 HH12 ARG 78 4.187 -10.120 31.203 677 HH21 ARG 78 HH21 ARG 78 2.889 -13.280 30.866 678 HH22 ARG 78 HH22 ARG 78 4.123 -12.301 31.587 679 H SER 79 HN SER 79 2.635 -11.407 23.658 680 HA SER 79 HA SER 79 4.914 -13.023 23.846 681 HB2 SER 79 HB2 SER 79 3.774 -11.641 21.398 682 HB3 SER 79 HB1 SER 79 4.976 -12.932 21.357 683 HG SER 79 HG SER 79 3.380 -14.234 22.498 684 H TRP 80 HN TRP 80 4.665 -9.580 23.489 685 HA TRP 80 HA TRP 80 7.466 -9.287 22.703 686 HB2 TRP 80 HB2 TRP 80 5.468 -7.121 23.403 687 HB3 TRP 80 HB1 TRP 80 7.011 -6.907 22.587 688 HD1 TRP 80 HD1 TRP 80 5.948 -9.765 20.821 689 HE1 TRP 80 HE1 TRP 80 4.561 -9.221 18.730 690 HE3 TRP 80 HE3 TRP 80 4.724 -4.909 21.888 691 HZ2 TRP 80 HZ2 TRP 80 3.144 -7.032 17.658 692 HZ3 TRP 80 HZ3 TRP 80 3.353 -3.660 20.269 693 HH2 TRP 80 HH2 TRP 80 2.580 -4.701 18.197 694 H GLN 81 HN GLN 81 5.537 -9.281 25.562 695 HA GLN 81 HA GLN 81 7.102 -7.605 27.230 696 HB2 GLN 81 HB2 GLN 81 5.173 -9.819 27.961 697 HB3 GLN 81 HB1 GLN 81 5.853 -8.669 29.106 698 HG2 GLN 81 HG2 GLN 81 4.071 -8.009 26.762 699 HG3 GLN 81 HG1 GLN 81 3.599 -8.030 28.460 700 HE21 GLN 81 HE21 GLN 81 5.355 -6.324 25.997 701 HE22 GLN 81 HE22 GLN 81 5.584 -4.865 26.892 702 H LYS 82 HN LYS 82 7.698 -10.774 26.115 703 HA LYS 82 HA LYS 82 8.945 -11.960 28.322 704 HB2 LYS 82 HB2 LYS 82 10.187 -13.334 26.519 705 HB3 LYS 82 HB1 LYS 82 8.439 -13.444 26.614 706 HG2 LYS 82 HG2 LYS 82 9.132 -13.345 24.313 707 HG3 LYS 82 HG1 LYS 82 8.239 -11.886 24.729 708 HD2 LYS 82 HD2 LYS 82 10.320 -10.629 24.898 709 HD3 LYS 82 HD1 LYS 82 11.255 -12.093 24.587 710 HE2 LYS 82 HE2 LYS 82 9.251 -10.914 22.656 711 HE3 LYS 82 HE1 LYS 82 10.985 -10.602 22.597 712 HZ1 LYS 82 HZ1 LYS 82 11.441 -12.777 21.994 713 HZ2 LYS 82 HZ2 LYS 82 10.016 -12.461 21.132 714 HZ3 LYS 82 HZ3 LYS 82 9.962 -13.365 22.557 715 H LEU 83 HN LEU 83 10.025 -9.210 26.789 716 HA LEU 83 HA LEU 83 12.830 -9.642 26.908 717 HB2 LEU 83 HB2 LEU 83 12.839 -7.034 26.979 718 HB3 LEU 83 HB1 LEU 83 12.346 -7.884 25.531 719 HG LEU 83 HG LEU 83 9.938 -7.561 26.317 720 HD11 LEU 83 HD11 LEU 83 9.503 -5.718 27.843 721 HD12 LEU 83 HD12 LEU 83 11.233 -5.536 28.139 722 HD13 LEU 83 HD13 LEU 83 10.399 -7.006 28.647 723 HD21 LEU 83 HD21 LEU 83 11.587 -5.134 25.601 724 HD22 LEU 83 HD22 LEU 83 9.835 -5.271 25.441 725 HD23 LEU 83 HD23 LEU 83 10.890 -6.300 24.474 726 H ILE 84 HN ILE 84 10.476 -8.736 29.336 727 HA ILE 84 HA ILE 84 12.644 -8.284 31.292 728 HB ILE 84 HB ILE 84 10.835 -7.469 32.822 729 HG12 ILE 84 HG12 ILE 84 9.121 -7.585 30.320 730 HG13 ILE 84 HG11 ILE 84 8.943 -8.638 31.720 731 HG21 ILE 84 HG21 ILE 84 10.592 -5.286 31.726 732 HG22 ILE 84 HG22 ILE 84 11.146 -5.991 30.209 733 HG23 ILE 84 HG23 ILE 84 12.235 -5.912 31.593 734 HD11 ILE 84 HD11 ILE 84 8.583 -5.649 31.718 735 HD12 ILE 84 HD12 ILE 84 8.362 -6.725 33.100 736 HD13 ILE 84 HD13 ILE 84 7.291 -6.850 31.704 737 H GLU 85 HN GLU 85 10.231 -10.615 30.428 738 HA GLU 85 HA GLU 85 10.796 -12.125 32.889 739 HB2 GLU 85 HB2 GLU 85 8.417 -12.698 33.136 740 HB3 GLU 85 HB1 GLU 85 8.681 -10.965 33.265 741 HG2 GLU 85 HG2 GLU 85 7.907 -10.664 30.966 742 HG3 GLU 85 HG1 GLU 85 7.664 -12.405 30.819 743 HA PRO 86 HA PRO 86 11.133 -15.627 30.180 744 HB2 PRO 86 HB2 PRO 86 10.227 -17.435 32.292 745 HB3 PRO 86 HB1 PRO 86 11.852 -17.208 31.644 746 HG2 PRO 86 HG2 PRO 86 11.158 -16.442 34.150 747 HG3 PRO 86 HG1 PRO 86 12.390 -15.596 33.193 748 HD2 PRO 86 HD2 PRO 86 9.508 -14.864 33.639 749 HD3 PRO 86 HD1 PRO 86 10.951 -13.825 33.679 750 H ALA 87 HN ALA 87 8.375 -14.339 30.268 751 HA ALA 87 HA ALA 87 6.655 -16.684 29.851 752 HB1 ALA 87 HB1 ALA 87 5.779 -14.866 31.250 753 HB2 ALA 87 HB2 ALA 87 4.792 -15.118 29.811 754 HB3 ALA 87 HB3 ALA 87 5.912 -13.757 29.887 755 H HIS 88 HN HIS 88 7.300 -17.492 27.863 756 HA HIS 88 HA HIS 88 6.359 -16.021 25.549 757 HB2 HIS 88 HB2 HIS 88 8.496 -16.280 24.294 758 HB3 HIS 88 HB1 HIS 88 8.611 -15.165 25.647 759 HD1 HIS 88 HD1 HIS 88 9.768 -18.545 24.510 760 HD2 HIS 88 HD2 HIS 88 10.407 -15.899 27.647 761 HE1 HIS 88 HE1 HIS 88 11.766 -19.431 25.736 762 HE2 HIS 88 HE2 HIS 88 12.256 -17.701 27.490 763 H GLN 89 HN GLN 89 5.335 -18.313 26.672 764 HA GLN 89 HA GLN 89 6.179 -20.733 25.499 765 HB2 GLN 89 HB2 GLN 89 3.474 -19.806 26.483 766 HB3 GLN 89 HB1 GLN 89 3.739 -21.426 25.857 767 HG2 GLN 89 HG2 GLN 89 3.821 -21.476 28.251 768 HG3 GLN 89 HG1 GLN 89 5.427 -21.806 27.609 769 HE21 GLN 89 HE21 GLN 89 6.479 -21.197 29.468 770 HE22 GLN 89 HE22 GLN 89 6.551 -19.557 30.019 771 H HIS 90 HN HIS 90 3.510 -18.581 24.479 772 HA HIS 90 HA HIS 90 3.738 -19.661 21.751 773 HB2 HIS 90 HB2 HIS 90 1.483 -19.641 22.807 774 HB3 HIS 90 HB1 HIS 90 1.579 -17.888 22.934 775 HD1 HIS 90 HD1 HIS 90 1.402 -16.532 20.689 776 HD2 HIS 90 HD2 HIS 90 0.787 -20.625 20.305 777 HE1 HIS 90 HE1 HIS 90 0.352 -16.845 18.431 778 HE2 HIS 90 HE2 HIS 90 0.017 -19.325 18.208 779 H GLU 91 HN GLU 91 5.522 -18.573 20.957 780 HA GLU 91 HA GLU 91 5.249 -15.711 20.463 781 HB2 GLU 91 HB2 GLU 91 6.363 -16.107 22.747 782 HB3 GLU 91 HB1 GLU 91 7.732 -16.740 21.852 783 HG2 GLU 91 HG2 GLU 91 6.683 -13.998 21.260 784 HG3 GLU 91 HG1 GLU 91 7.719 -14.272 22.657 785 H ALA 92 HN ALA 92 6.217 -15.110 18.559 786 HA ALA 92 HA ALA 92 6.986 -17.292 16.831 787 HB1 ALA 92 HB1 ALA 92 6.806 -15.691 15.027 788 HB2 ALA 92 HB2 ALA 92 6.724 -14.358 16.178 789 HB3 ALA 92 HB3 ALA 92 5.418 -15.541 16.105 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 0.195 -1.333 -2.230 2 H2 MET 1 HT2 MET 1 0.940 -2.838 -2.434 3 H3 MET 1 HT3 MET 1 1.881 -1.450 -2.227 4 HA MET 1 HA MET 1 1.042 -1.163 0.006 5 HB2 MET 1 HB2 MET 1 -0.354 -3.802 -0.503 6 HB3 MET 1 HB1 MET 1 -0.288 -2.968 1.043 7 HG2 MET 1 HG2 MET 1 -2.424 -2.593 0.018 8 HG3 MET 1 HG1 MET 1 -1.516 -1.080 0.044 9 HE1 MET 1 HE1 MET 1 -3.607 -0.820 -3.263 10 HE2 MET 1 HE2 MET 1 -3.186 -0.023 -1.748 11 HE3 MET 1 HE3 MET 1 -4.102 -1.531 -1.726 12 H THR 2 HN THR 2 2.302 -1.957 1.720 13 HA THR 2 HA THR 2 4.602 -3.483 0.993 14 HB THR 2 HB THR 2 5.245 -3.363 3.362 15 HG1 THR 2 HG1 THR 2 3.847 -2.607 4.899 16 HG21 THR 2 HG21 THR 2 4.069 -0.766 2.346 17 HG22 THR 2 HG22 THR 2 5.666 -1.403 1.951 18 HG23 THR 2 HG23 THR 2 5.294 -0.917 3.604 19 H ALA 3 HN ALA 3 1.878 -4.205 3.172 20 HA ALA 3 HA ALA 3 0.886 -6.131 3.850 21 HB1 ALA 3 HB1 ALA 3 2.382 -7.470 1.596 22 HB2 ALA 3 HB2 ALA 3 0.811 -6.681 1.449 23 HB3 ALA 3 HB3 ALA 3 0.986 -8.116 2.461 24 H ALA 4 HN ALA 4 4.068 -7.360 2.789 25 HA ALA 4 HA ALA 4 4.540 -8.436 5.487 26 HB1 ALA 4 HB1 ALA 4 6.024 -8.940 2.900 27 HB2 ALA 4 HB2 ALA 4 4.809 -9.995 3.624 28 HB3 ALA 4 HB3 ALA 4 6.348 -9.729 4.445 29 HA PRO 5 HA PRO 5 6.985 -4.620 5.893 30 HB2 PRO 5 HB2 PRO 5 7.421 -4.837 8.582 31 HB3 PRO 5 HB1 PRO 5 5.913 -4.228 7.888 32 HG2 PRO 5 HG2 PRO 5 6.552 -6.974 8.917 33 HG3 PRO 5 HG1 PRO 5 5.097 -5.993 9.180 34 HD2 PRO 5 HD2 PRO 5 5.171 -7.996 7.364 35 HD3 PRO 5 HD1 PRO 5 4.211 -6.524 7.105 36 H ALA 6 HN ALA 6 7.966 -7.742 7.291 37 HA ALA 6 HA ALA 6 9.969 -8.782 7.529 38 HB1 ALA 6 HB1 ALA 6 10.304 -8.230 5.155 39 HB2 ALA 6 HB2 ALA 6 11.822 -8.217 6.054 40 HB3 ALA 6 HB3 ALA 6 11.038 -6.695 5.622 41 H SER 7 HN SER 7 11.002 -5.353 7.252 42 HA SER 7 HA SER 7 12.452 -5.596 9.770 43 HB2 SER 7 HB2 SER 7 13.198 -3.240 9.253 44 HB3 SER 7 HB1 SER 7 13.648 -4.434 8.041 45 HG SER 7 HG SER 7 12.749 -3.037 6.739 46 HA PRO 8 HA PRO 8 8.822 -4.275 12.052 47 HB2 PRO 8 HB2 PRO 8 10.857 -3.872 14.191 48 HB3 PRO 8 HB1 PRO 8 9.352 -4.800 14.219 49 HG2 PRO 8 HG2 PRO 8 11.691 -6.051 14.060 50 HG3 PRO 8 HG1 PRO 8 10.301 -6.618 13.115 51 HD2 PRO 8 HD2 PRO 8 12.671 -5.010 12.222 52 HD3 PRO 8 HD1 PRO 8 11.851 -6.359 11.406 53 H GLN 9 HN GLN 9 11.669 -2.305 11.618 54 HA GLN 9 HA GLN 9 11.060 -0.141 13.302 55 HB2 GLN 9 HB2 GLN 9 12.675 -0.209 10.741 56 HB3 GLN 9 HB1 GLN 9 12.628 1.163 11.839 57 HG2 GLN 9 HG2 GLN 9 14.618 -0.041 12.296 58 HG3 GLN 9 HG1 GLN 9 13.508 -0.338 13.625 59 HE21 GLN 9 HE21 GLN 9 14.556 -2.230 14.225 60 HE22 GLN 9 HE22 GLN 9 14.449 -3.679 13.291 61 H GLN 10 HN GLN 10 10.253 -0.659 9.881 62 HA GLN 10 HA GLN 10 9.048 1.816 9.349 63 HB2 GLN 10 HB2 GLN 10 7.957 0.699 7.473 64 HB3 GLN 10 HB1 GLN 10 9.633 0.179 7.613 65 HG2 GLN 10 HG2 GLN 10 8.751 -1.831 8.890 66 HG3 GLN 10 HG1 GLN 10 7.148 -1.342 8.344 67 HE21 GLN 10 HE21 GLN 10 10.237 -2.586 7.405 68 HE22 GLN 10 HE22 GLN 10 9.764 -3.123 5.830 69 H ILE 11 HN ILE 11 7.797 -0.996 11.025 70 HA ILE 11 HA ILE 11 5.035 -0.481 10.845 71 HB ILE 11 HB ILE 11 6.564 -1.847 13.077 72 HG12 ILE 11 HG12 ILE 11 5.145 -3.009 10.657 73 HG13 ILE 11 HG11 ILE 11 6.889 -2.868 10.837 74 HG21 ILE 11 HG21 ILE 11 4.327 -1.154 13.803 75 HG22 ILE 11 HG22 ILE 11 4.439 -2.908 13.666 76 HG23 ILE 11 HG23 ILE 11 3.615 -1.978 12.412 77 HD11 ILE 11 HD11 ILE 11 5.065 -4.554 12.539 78 HD12 ILE 11 HD12 ILE 11 6.811 -4.407 12.733 79 HD13 ILE 11 HD13 ILE 11 6.145 -5.128 11.270 80 H ARG 12 HN ARG 12 7.503 0.743 13.046 81 HA ARG 12 HA ARG 12 5.919 2.128 14.885 82 HB2 ARG 12 HB2 ARG 12 8.290 1.941 15.212 83 HB3 ARG 12 HB1 ARG 12 8.626 2.748 13.687 84 HG2 ARG 12 HG2 ARG 12 7.416 4.775 14.776 85 HG3 ARG 12 HG1 ARG 12 7.731 3.923 16.291 86 HD2 ARG 12 HD2 ARG 12 9.498 5.562 15.697 87 HD3 ARG 12 HD1 ARG 12 10.102 3.909 15.849 88 HE ARG 12 HE ARG 12 9.375 4.571 13.160 89 HH11 ARG 12 HH11 ARG 12 11.900 4.976 15.472 90 HH12 ARG 12 HH12 ARG 12 13.135 5.035 14.262 91 HH21 ARG 12 HH21 ARG 12 10.943 4.646 11.638 92 HH22 ARG 12 HH22 ARG 12 12.603 4.818 12.115 93 H ASP 13 HN ASP 13 7.210 3.221 11.740 94 HA ASP 13 HA ASP 13 5.945 5.766 11.789 95 HB2 ASP 13 HB2 ASP 13 7.038 4.152 9.469 96 HB3 ASP 13 HB1 ASP 13 6.552 5.845 9.381 97 H ARG 14 HN ARG 14 4.980 2.608 10.582 98 HA ARG 14 HA ARG 14 2.650 3.331 9.192 99 HB2 ARG 14 HB2 ARG 14 3.267 0.814 10.762 100 HB3 ARG 14 HB1 ARG 14 1.894 0.991 9.676 101 HG2 ARG 14 HG2 ARG 14 4.754 1.339 8.788 102 HG3 ARG 14 HG1 ARG 14 3.903 -0.204 8.736 103 HD2 ARG 14 HD2 ARG 14 2.839 2.275 7.390 104 HD3 ARG 14 HD1 ARG 14 3.944 1.159 6.585 105 HE ARG 14 HE ARG 14 1.954 -0.446 7.489 106 HH11 ARG 14 HH11 ARG 14 1.915 2.452 5.626 107 HH12 ARG 14 HH12 ARG 14 0.574 1.942 4.664 108 HH21 ARG 14 HH21 ARG 14 0.230 -1.078 6.255 109 HH22 ARG 14 HH22 ARG 14 -0.384 -0.030 5.029 110 H LEU 15 HN LEU 15 3.234 2.896 12.652 111 HA LEU 15 HA LEU 15 0.537 3.258 13.477 112 HB2 LEU 15 HB2 LEU 15 2.314 2.346 14.937 113 HB3 LEU 15 HB1 LEU 15 3.099 3.914 14.951 114 HG LEU 15 HG LEU 15 1.103 4.875 16.081 115 HD11 LEU 15 HD11 LEU 15 -0.573 3.377 17.041 116 HD12 LEU 15 HD12 LEU 15 0.171 2.007 16.214 117 HD13 LEU 15 HD13 LEU 15 -0.576 3.303 15.279 118 HD21 LEU 15 HD21 LEU 15 2.388 2.526 17.481 119 HD22 LEU 15 HD22 LEU 15 1.513 3.838 18.273 120 HD23 LEU 15 HD23 LEU 15 3.011 4.175 17.408 121 H LEU 16 HN LEU 16 3.228 5.512 12.952 122 HA LEU 16 HA LEU 16 1.946 7.819 13.970 123 HB2 LEU 16 HB2 LEU 16 4.376 7.340 12.300 124 HB3 LEU 16 HB1 LEU 16 3.750 8.973 12.409 125 HG LEU 16 HG LEU 16 5.539 8.625 14.026 126 HD11 LEU 16 HD11 LEU 16 4.397 9.389 16.042 127 HD12 LEU 16 HD12 LEU 16 2.849 8.870 15.374 128 HD13 LEU 16 HD13 LEU 16 3.747 10.179 14.605 129 HD21 LEU 16 HD21 LEU 16 3.784 6.456 15.184 130 HD22 LEU 16 HD22 LEU 16 5.262 7.082 15.920 131 HD23 LEU 16 HD23 LEU 16 5.337 6.233 14.377 132 H GLN 17 HN GLN 17 1.899 6.402 10.729 133 HA GLN 17 HA GLN 17 0.771 8.659 9.421 134 HB2 GLN 17 HB2 GLN 17 0.094 7.116 7.645 135 HB3 GLN 17 HB1 GLN 17 1.745 6.790 8.150 136 HG2 GLN 17 HG2 GLN 17 1.062 4.857 9.373 137 HG3 GLN 17 HG1 GLN 17 -0.639 5.234 9.129 138 HE21 GLN 17 HE21 GLN 17 -1.018 3.230 8.192 139 HE22 GLN 17 HE22 GLN 17 -0.512 2.853 6.586 140 H ALA 18 HN ALA 18 -0.573 6.328 11.588 141 HA ALA 18 HA ALA 18 -3.328 6.845 10.748 142 HB1 ALA 18 HB1 ALA 18 -2.676 4.548 11.203 143 HB2 ALA 18 HB2 ALA 18 -3.918 5.080 12.337 144 HB3 ALA 18 HB3 ALA 18 -2.232 4.985 12.854 145 H ILE 19 HN ILE 19 -1.136 7.730 13.341 146 HA ILE 19 HA ILE 19 -3.334 9.222 14.634 147 HB ILE 19 HB ILE 19 -2.438 8.705 16.856 148 HG12 ILE 19 HG12 ILE 19 -0.565 6.796 15.417 149 HG13 ILE 19 HG11 ILE 19 -0.084 8.296 16.204 150 HG21 ILE 19 HG21 ILE 19 -4.240 7.330 16.023 151 HG22 ILE 19 HG22 ILE 19 -3.133 6.337 16.971 152 HG23 ILE 19 HG23 ILE 19 -3.096 6.262 15.209 153 HD11 ILE 19 HD11 ILE 19 -1.243 5.867 17.554 154 HD12 ILE 19 HD12 ILE 19 -0.825 7.381 18.358 155 HD13 ILE 19 HD13 ILE 19 0.436 6.405 17.603 156 H ASP 20 HN ASP 20 -2.844 11.195 15.513 157 HA ASP 20 HA ASP 20 -0.416 12.504 14.747 158 HB2 ASP 20 HB2 ASP 20 -2.760 13.316 16.476 159 HB3 ASP 20 HB1 ASP 20 -1.408 14.386 16.144 160 HA PRO 21 HA PRO 21 2.505 12.025 18.030 161 HB2 PRO 21 HB2 PRO 21 2.058 14.912 18.726 162 HB3 PRO 21 HB1 PRO 21 3.576 14.026 18.524 163 HG2 PRO 21 HG2 PRO 21 2.698 15.596 16.577 164 HG3 PRO 21 HG1 PRO 21 3.415 14.018 16.197 165 HD2 PRO 21 HD2 PRO 21 0.552 14.857 16.152 166 HD3 PRO 21 HD1 PRO 21 1.404 13.691 15.120 167 H GLN 22 HN GLN 22 -0.502 13.658 18.964 168 HA GLN 22 HA GLN 22 -0.130 12.926 21.765 169 HB2 GLN 22 HB2 GLN 22 -2.350 14.398 20.341 170 HB3 GLN 22 HB1 GLN 22 -2.377 14.027 22.061 171 HG2 GLN 22 HG2 GLN 22 -0.300 15.707 20.659 172 HG3 GLN 22 HG1 GLN 22 -1.642 16.318 21.623 173 HE21 GLN 22 HE21 GLN 22 -1.400 14.203 23.624 174 HE22 GLN 22 HE22 GLN 22 0.001 14.589 24.553 175 H SER 23 HN SER 23 -0.586 10.921 19.504 176 HA SER 23 HA SER 23 -1.437 8.820 19.374 177 HB2 SER 23 HB2 SER 23 -1.976 9.392 22.290 178 HB3 SER 23 HB1 SER 23 -2.307 7.824 21.555 179 HG SER 23 HG SER 23 -0.190 7.493 21.232 180 H ASN 24 HN ASN 24 -3.182 10.932 18.522 181 HA ASN 24 HA ASN 24 -5.817 9.764 19.162 182 HB2 ASN 24 HB2 ASN 24 -6.744 11.955 18.278 183 HB3 ASN 24 HB1 ASN 24 -5.863 12.046 19.798 184 HD21 ASN 24 HD21 ASN 24 -3.767 12.946 19.789 185 HD22 ASN 24 HD22 ASN 24 -3.268 14.022 18.532 186 H ILE 25 HN ILE 25 -7.005 8.829 17.621 187 HA ILE 25 HA ILE 25 -5.868 8.024 15.180 188 HB ILE 25 HB ILE 25 -8.755 7.993 16.092 189 HG12 ILE 25 HG12 ILE 25 -7.112 6.606 17.390 190 HG13 ILE 25 HG11 ILE 25 -8.382 5.664 16.616 191 HG21 ILE 25 HG21 ILE 25 -9.181 6.377 14.286 192 HG22 ILE 25 HG22 ILE 25 -7.542 6.624 13.682 193 HG23 ILE 25 HG23 ILE 25 -8.700 7.952 13.654 194 HD11 ILE 25 HD11 ILE 25 -5.569 5.994 15.591 195 HD12 ILE 25 HD12 ILE 25 -6.840 5.032 14.840 196 HD13 ILE 25 HD13 ILE 25 -6.214 4.582 16.425 197 H ARG 26 HN ARG 26 -5.499 9.258 13.421 198 HA ARG 26 HA ARG 26 -7.551 11.239 12.654 199 HB2 ARG 26 HB2 ARG 26 -5.061 11.915 13.022 200 HB3 ARG 26 HB1 ARG 26 -4.794 11.171 11.449 201 HG2 ARG 26 HG2 ARG 26 -6.369 12.699 10.419 202 HG3 ARG 26 HG1 ARG 26 -6.768 13.387 11.994 203 HD2 ARG 26 HD2 ARG 26 -5.272 14.870 10.832 204 HD3 ARG 26 HD1 ARG 26 -4.439 14.167 12.214 205 HE ARG 26 HE ARG 26 -3.646 12.530 10.281 206 HH11 ARG 26 HH11 ARG 26 -3.880 15.966 10.311 207 HH12 ARG 26 HH12 ARG 26 -2.566 16.173 9.207 208 HH21 ARG 26 HH21 ARG 26 -1.966 12.803 8.871 209 HH22 ARG 26 HH22 ARG 26 -1.497 14.398 8.391 210 H ASN 27 HN ASN 27 -5.915 8.329 11.668 211 HA ASN 27 HA ASN 27 -7.762 8.150 9.377 212 HB2 ASN 27 HB2 ASN 27 -4.834 7.370 9.316 213 HB3 ASN 27 HB1 ASN 27 -6.002 6.957 8.066 214 HD21 ASN 27 HD21 ASN 27 -3.958 9.374 9.339 215 HD22 ASN 27 HD22 ASN 27 -4.317 10.603 8.181 216 H MET 28 HN MET 28 -9.141 6.588 9.933 217 HA MET 28 HA MET 28 -8.619 4.470 11.722 218 HB2 MET 28 HB2 MET 28 -10.886 5.299 11.225 219 HB3 MET 28 HB1 MET 28 -10.761 4.669 9.589 220 HG2 MET 28 HG2 MET 28 -10.518 2.383 10.560 221 HG3 MET 28 HG1 MET 28 -10.830 3.081 12.149 222 HE1 MET 28 HE1 MET 28 -13.893 3.103 8.692 223 HE2 MET 28 HE2 MET 28 -12.321 2.310 8.585 224 HE3 MET 28 HE3 MET 28 -12.416 4.068 8.692 225 H VAL 29 HN VAL 29 -8.633 4.562 8.170 226 HA VAL 29 HA VAL 29 -8.272 1.850 7.635 227 HB VAL 29 HB VAL 29 -7.255 4.259 6.110 228 HG11 VAL 29 HG11 VAL 29 -7.432 1.377 5.213 229 HG12 VAL 29 HG12 VAL 29 -5.957 2.320 5.437 230 HG13 VAL 29 HG13 VAL 29 -7.094 2.751 4.158 231 HG21 VAL 29 HG21 VAL 29 -9.216 3.898 4.694 232 HG22 VAL 29 HG22 VAL 29 -9.693 4.157 6.373 233 HG23 VAL 29 HG23 VAL 29 -9.699 2.529 5.695 234 H ALA 30 HN ALA 30 -5.797 4.343 8.190 235 HA ALA 30 HA ALA 30 -3.559 2.804 7.526 236 HB1 ALA 30 HB1 ALA 30 -2.249 4.519 8.635 237 HB2 ALA 30 HB2 ALA 30 -3.693 5.132 9.437 238 HB3 ALA 30 HB3 ALA 30 -3.544 5.244 7.685 239 H VAL 31 HN VAL 31 -5.063 3.299 10.736 240 HA VAL 31 HA VAL 31 -3.088 1.879 12.184 241 HB VAL 31 HB VAL 31 -4.643 3.435 13.287 242 HG11 VAL 31 HG11 VAL 31 -6.690 2.937 12.098 243 HG12 VAL 31 HG12 VAL 31 -6.938 2.732 13.831 244 HG13 VAL 31 HG13 VAL 31 -6.738 1.317 12.794 245 HG21 VAL 31 HG21 VAL 31 -5.066 2.092 15.301 246 HG22 VAL 31 HG22 VAL 31 -3.465 1.780 14.633 247 HG23 VAL 31 HG23 VAL 31 -4.766 0.619 14.379 248 H LEU 32 HN LEU 32 -6.101 0.818 10.650 249 HA LEU 32 HA LEU 32 -6.212 -1.781 11.714 250 HB2 LEU 32 HB2 LEU 32 -7.158 -0.784 9.020 251 HB3 LEU 32 HB1 LEU 32 -7.612 -2.320 9.736 252 HG LEU 32 HG LEU 32 -8.286 0.411 10.853 253 HD11 LEU 32 HD11 LEU 32 -9.546 -0.082 8.833 254 HD12 LEU 32 HD12 LEU 32 -10.592 -0.149 10.252 255 HD13 LEU 32 HD13 LEU 32 -10.034 -1.643 9.496 256 HD21 LEU 32 HD21 LEU 32 -9.089 -2.338 11.812 257 HD22 LEU 32 HD22 LEU 32 -9.672 -0.805 12.461 258 HD23 LEU 32 HD23 LEU 32 -7.971 -1.241 12.622 259 H GLU 33 HN GLU 33 -4.372 -0.470 9.007 260 HA GLU 33 HA GLU 33 -3.516 -2.852 7.800 261 HB2 GLU 33 HB2 GLU 33 -1.950 -0.276 8.111 262 HB3 GLU 33 HB1 GLU 33 -1.609 -1.550 6.949 263 HG2 GLU 33 HG2 GLU 33 -3.830 -1.124 5.912 264 HG3 GLU 33 HG1 GLU 33 -4.038 0.236 7.017 265 H VAL 34 HN VAL 34 -2.219 -1.085 10.574 266 HA VAL 34 HA VAL 34 0.181 -2.539 10.882 267 HB VAL 34 HB VAL 34 -1.391 -1.112 13.045 268 HG11 VAL 34 HG11 VAL 34 0.362 -2.566 13.936 269 HG12 VAL 34 HG12 VAL 34 0.774 -0.867 14.165 270 HG13 VAL 34 HG13 VAL 34 1.547 -1.797 12.880 271 HG21 VAL 34 HG21 VAL 34 -0.998 0.382 11.168 272 HG22 VAL 34 HG22 VAL 34 0.714 -0.045 11.151 273 HG23 VAL 34 HG23 VAL 34 0.037 0.835 12.524 274 H ILE 35 HN ILE 35 -2.957 -2.899 12.579 275 HA ILE 35 HA ILE 35 -2.217 -5.054 14.217 276 HB ILE 35 HB ILE 35 -4.913 -4.197 13.168 277 HG12 ILE 35 HG12 ILE 35 -5.280 -3.645 15.598 278 HG13 ILE 35 HG11 ILE 35 -3.606 -4.085 15.906 279 HG21 ILE 35 HG21 ILE 35 -5.094 -6.584 13.444 280 HG22 ILE 35 HG22 ILE 35 -5.945 -5.787 14.768 281 HG23 ILE 35 HG23 ILE 35 -4.353 -6.497 15.043 282 HD11 ILE 35 HD11 ILE 35 -3.902 -1.677 15.754 283 HD12 ILE 35 HD12 ILE 35 -4.531 -1.849 14.118 284 HD13 ILE 35 HD13 ILE 35 -2.856 -2.274 14.467 285 H SER 36 HN SER 36 -3.761 -5.100 10.997 286 HA SER 36 HA SER 36 -4.046 -7.877 10.747 287 HB2 SER 36 HB2 SER 36 -5.098 -6.214 9.218 288 HB3 SER 36 HB1 SER 36 -3.515 -5.904 8.504 289 HG SER 36 HG SER 36 -3.749 -7.635 7.338 290 H SER 37 HN SER 37 -1.302 -5.790 9.818 291 HA SER 37 HA SER 37 0.260 -7.890 8.705 292 HB2 SER 37 HB2 SER 37 2.162 -6.300 8.852 293 HB3 SER 37 HB1 SER 37 0.734 -5.575 8.116 294 HG SER 37 HG SER 37 1.115 -5.295 10.885 295 H LEU 38 HN LEU 38 0.014 -6.579 11.983 296 HA LEU 38 HA LEU 38 2.352 -7.863 12.986 297 HB2 LEU 38 HB2 LEU 38 0.103 -6.325 14.145 298 HB3 LEU 38 HB1 LEU 38 0.931 -7.416 15.239 299 HG LEU 38 HG LEU 38 3.041 -6.287 14.872 300 HD11 LEU 38 HD11 LEU 38 2.824 -5.722 12.526 301 HD12 LEU 38 HD12 LEU 38 3.208 -4.282 13.466 302 HD13 LEU 38 HD13 LEU 38 1.560 -4.549 12.898 303 HD21 LEU 38 HD21 LEU 38 0.809 -4.322 15.402 304 HD22 LEU 38 HD22 LEU 38 2.509 -4.078 15.805 305 HD23 LEU 38 HD23 LEU 38 1.595 -5.364 16.590 306 H GLU 39 HN GLU 39 -0.962 -8.949 12.621 307 HA GLU 39 HA GLU 39 -0.839 -11.157 14.383 308 HB2 GLU 39 HB2 GLU 39 -2.430 -10.856 11.823 309 HB3 GLU 39 HB1 GLU 39 -2.667 -12.132 13.009 310 HG2 GLU 39 HG2 GLU 39 -3.186 -10.355 14.697 311 HG3 GLU 39 HG1 GLU 39 -3.142 -9.180 13.383 312 H LYS 40 HN LYS 40 0.232 -10.757 11.043 313 HA LYS 40 HA LYS 40 1.094 -13.562 10.921 314 HB2 LYS 40 HB2 LYS 40 1.071 -11.425 8.774 315 HB3 LYS 40 HB1 LYS 40 1.534 -13.104 8.533 316 HG2 LYS 40 HG2 LYS 40 -0.751 -13.798 9.193 317 HG3 LYS 40 HG1 LYS 40 -1.198 -12.096 9.326 318 HD2 LYS 40 HD2 LYS 40 -0.219 -13.471 6.815 319 HD3 LYS 40 HD1 LYS 40 -1.899 -13.075 7.179 320 HE2 LYS 40 HE2 LYS 40 -1.328 -10.691 7.218 321 HE3 LYS 40 HE1 LYS 40 0.356 -11.085 6.867 322 HZ1 LYS 40 HZ1 LYS 40 -0.887 -10.409 4.887 323 HZ2 LYS 40 HZ2 LYS 40 -1.943 -11.711 5.093 324 HZ3 LYS 40 HZ3 LYS 40 -0.311 -11.992 4.754 325 H TYR 41 HN TYR 41 2.391 -10.399 11.414 326 HA TYR 41 HA TYR 41 5.101 -11.538 11.488 327 HB2 TYR 41 HB2 TYR 41 4.314 -8.962 10.104 328 HB3 TYR 41 HB1 TYR 41 5.974 -9.356 10.533 329 HD1 TYR 41 HD1 TYR 41 7.227 -11.001 9.283 330 HD2 TYR 41 HD2 TYR 41 3.152 -10.216 8.325 331 HE1 TYR 41 HE1 TYR 41 7.499 -12.207 7.160 332 HE2 TYR 41 HE2 TYR 41 3.416 -11.423 6.198 333 HH TYR 41 HH TYR 41 6.248 -13.291 5.478 334 HA PRO 42 HA PRO 42 4.335 -9.323 15.476 335 HB2 PRO 42 HB2 PRO 42 6.304 -11.335 16.391 336 HB3 PRO 42 HB1 PRO 42 4.726 -10.918 17.066 337 HG2 PRO 42 HG2 PRO 42 5.107 -13.227 15.752 338 HG3 PRO 42 HG1 PRO 42 3.583 -12.327 15.621 339 HD2 PRO 42 HD2 PRO 42 5.878 -12.458 13.687 340 HD3 PRO 42 HD1 PRO 42 4.130 -12.493 13.366 341 H ILE 43 HN ILE 43 5.707 -7.891 16.560 342 HA ILE 43 HA ILE 43 7.967 -6.987 15.037 343 HB ILE 43 HB ILE 43 6.795 -5.972 17.635 344 HG12 ILE 43 HG12 ILE 43 6.512 -4.995 14.776 345 HG13 ILE 43 HG11 ILE 43 5.280 -5.858 15.689 346 HG21 ILE 43 HG21 ILE 43 8.820 -4.655 15.818 347 HG22 ILE 43 HG22 ILE 43 9.151 -5.320 17.417 348 HG23 ILE 43 HG23 ILE 43 8.081 -3.928 17.244 349 HD11 ILE 43 HD11 ILE 43 4.807 -3.489 15.600 350 HD12 ILE 43 HD12 ILE 43 6.372 -3.129 16.331 351 HD13 ILE 43 HD13 ILE 43 5.142 -3.993 17.257 352 H THR 44 HN THR 44 10.127 -6.866 15.671 353 HA THR 44 HA THR 44 11.054 -9.138 17.120 354 HB THR 44 HB THR 44 12.625 -6.782 16.035 355 HG1 THR 44 HG1 THR 44 12.977 -8.258 14.260 356 HG21 THR 44 HG21 THR 44 13.567 -9.565 16.759 357 HG22 THR 44 HG22 THR 44 13.935 -8.090 17.654 358 HG23 THR 44 HG23 THR 44 14.547 -8.303 16.013 359 H LYS 45 HN LYS 45 12.572 -9.126 18.903 360 HA LYS 45 HA LYS 45 11.615 -7.646 21.122 361 HB2 LYS 45 HB2 LYS 45 12.361 -9.836 21.530 362 HB3 LYS 45 HB1 LYS 45 13.868 -9.584 20.665 363 HG2 LYS 45 HG2 LYS 45 14.688 -8.168 22.469 364 HG3 LYS 45 HG1 LYS 45 13.162 -8.372 23.336 365 HD2 LYS 45 HD2 LYS 45 13.558 -10.682 23.697 366 HD3 LYS 45 HD1 LYS 45 14.875 -10.719 22.522 367 HE2 LYS 45 HE2 LYS 45 14.907 -9.243 25.156 368 HE3 LYS 45 HE1 LYS 45 15.703 -10.783 24.830 369 HZ1 LYS 45 HZ1 LYS 45 16.983 -9.616 23.069 370 HZ2 LYS 45 HZ2 LYS 45 17.307 -9.064 24.632 371 HZ3 LYS 45 HZ3 LYS 45 16.322 -8.154 23.604 372 H GLU 46 HN GLU 46 14.733 -7.495 19.368 373 HA GLU 46 HA GLU 46 15.778 -5.346 20.900 374 HB2 GLU 46 HB2 GLU 46 16.471 -6.327 18.125 375 HB3 GLU 46 HB1 GLU 46 17.357 -5.051 18.947 376 HG2 GLU 46 HG2 GLU 46 18.529 -7.144 19.161 377 HG3 GLU 46 HG1 GLU 46 17.948 -6.622 20.739 378 H ALA 47 HN ALA 47 14.077 -5.432 17.790 379 HA ALA 47 HA ALA 47 14.208 -2.722 17.149 380 HB1 ALA 47 HB1 ALA 47 12.290 -3.145 15.689 381 HB2 ALA 47 HB2 ALA 47 12.011 -4.688 16.498 382 HB3 ALA 47 HB3 ALA 47 13.488 -4.432 15.569 383 H LEU 48 HN LEU 48 11.951 -4.458 19.244 384 HA LEU 48 HA LEU 48 10.014 -2.465 19.588 385 HB2 LEU 48 HB2 LEU 48 9.852 -4.849 20.319 386 HB3 LEU 48 HB1 LEU 48 10.964 -4.498 21.624 387 HG LEU 48 HG LEU 48 8.318 -3.058 21.388 388 HD11 LEU 48 HD11 LEU 48 8.834 -5.658 22.836 389 HD12 LEU 48 HD12 LEU 48 7.842 -5.454 21.393 390 HD13 LEU 48 HD13 LEU 48 7.352 -4.702 22.909 391 HD21 LEU 48 HD21 LEU 48 8.594 -2.823 23.836 392 HD22 LEU 48 HD22 LEU 48 9.896 -2.058 22.932 393 HD23 LEU 48 HD23 LEU 48 10.167 -3.613 23.718 394 H GLU 49 HN GLU 49 13.002 -3.081 21.406 395 HA GLU 49 HA GLU 49 12.672 -0.917 23.230 396 HB2 GLU 49 HB2 GLU 49 15.093 -2.561 22.466 397 HB3 GLU 49 HB1 GLU 49 15.100 -1.355 23.747 398 HG2 GLU 49 HG2 GLU 49 13.188 -3.679 23.717 399 HG3 GLU 49 HG1 GLU 49 14.787 -3.765 24.454 400 H GLU 50 HN GLU 50 14.519 -1.278 20.212 401 HA GLU 50 HA GLU 50 15.873 1.200 20.369 402 HB2 GLU 50 HB2 GLU 50 16.653 -0.600 18.920 403 HB3 GLU 50 HB1 GLU 50 15.189 -0.487 17.950 404 HG2 GLU 50 HG2 GLU 50 15.814 1.749 17.222 405 HG3 GLU 50 HG1 GLU 50 17.251 1.695 18.242 406 H THR 51 HN THR 51 12.962 0.303 18.480 407 HA THR 51 HA THR 51 12.547 3.145 17.856 408 HB THR 51 HB THR 51 10.821 2.292 16.215 409 HG1 THR 51 HG1 THR 51 12.049 -0.225 16.749 410 HG21 THR 51 HG21 THR 51 13.659 1.304 15.859 411 HG22 THR 51 HG22 THR 51 13.082 2.935 15.511 412 HG23 THR 51 HG23 THR 51 12.488 1.570 14.567 413 H ARG 52 HN ARG 52 11.627 1.230 20.299 414 HA ARG 52 HA ARG 52 10.281 1.718 22.057 415 HB2 ARG 52 HB2 ARG 52 10.853 4.097 21.282 416 HB3 ARG 52 HB1 ARG 52 9.242 4.132 20.578 417 HG2 ARG 52 HG2 ARG 52 8.273 3.707 22.793 418 HG3 ARG 52 HG1 ARG 52 9.891 3.691 23.492 419 HD2 ARG 52 HD2 ARG 52 10.161 6.042 22.569 420 HD3 ARG 52 HD1 ARG 52 8.427 6.011 22.241 421 HE ARG 52 HE ARG 52 9.379 5.467 24.959 422 HH11 ARG 52 HH11 ARG 52 7.674 7.521 22.767 423 HH12 ARG 52 HH12 ARG 52 7.024 8.495 24.038 424 HH21 ARG 52 HH21 ARG 52 8.552 6.751 26.566 425 HH22 ARG 52 HH22 ARG 52 7.504 8.063 26.148 426 H LEU 53 HN LEU 53 9.224 -0.116 20.166 427 HA LEU 53 HA LEU 53 6.499 0.443 19.577 428 HB2 LEU 53 HB2 LEU 53 8.007 -2.157 19.780 429 HB3 LEU 53 HB1 LEU 53 6.295 -2.102 19.409 430 HG LEU 53 HG LEU 53 7.461 -2.333 17.349 431 HD11 LEU 53 HD11 LEU 53 5.551 -0.802 17.309 432 HD12 LEU 53 HD12 LEU 53 6.775 -0.357 16.119 433 HD13 LEU 53 HD13 LEU 53 6.634 0.558 17.621 434 HD21 LEU 53 HD21 LEU 53 9.663 -1.613 18.069 435 HD22 LEU 53 HD22 LEU 53 9.110 0.061 18.149 436 HD23 LEU 53 HD23 LEU 53 9.183 -0.772 16.594 437 H GLY 54 HN GLY 54 7.994 -0.216 22.565 438 HA2 GLY 54 HA2 GLY 54 5.937 -1.538 23.963 439 HA3 GLY 54 HA1 GLY 54 7.088 -0.421 24.678 440 H LYS 55 HN LYS 55 6.351 1.875 23.140 441 HA LYS 55 HA LYS 55 4.139 2.964 24.466 442 HB2 LYS 55 HB2 LYS 55 5.612 4.506 23.467 443 HB3 LYS 55 HB1 LYS 55 5.599 3.666 21.926 444 HG2 LYS 55 HG2 LYS 55 4.436 5.776 21.746 445 HG3 LYS 55 HG1 LYS 55 3.307 4.440 21.523 446 HD2 LYS 55 HD2 LYS 55 2.542 4.714 23.853 447 HD3 LYS 55 HD1 LYS 55 3.666 6.062 24.056 448 HE2 LYS 55 HE2 LYS 55 2.509 7.337 22.349 449 HE3 LYS 55 HE1 LYS 55 1.441 5.977 22.011 450 HZ1 LYS 55 HZ1 LYS 55 1.559 7.528 24.540 451 HZ2 LYS 55 HZ2 LYS 55 0.571 6.180 24.282 452 HZ3 LYS 55 HZ3 LYS 55 0.332 7.595 23.381 453 H LEU 56 HN LEU 56 4.360 1.333 21.319 454 HA LEU 56 HA LEU 56 1.675 1.652 20.526 455 HB2 LEU 56 HB2 LEU 56 3.607 0.917 19.088 456 HB3 LEU 56 HB1 LEU 56 3.525 -0.652 19.856 457 HG LEU 56 HG LEU 56 1.152 0.473 18.365 458 HD11 LEU 56 HD11 LEU 56 3.438 -1.129 17.210 459 HD12 LEU 56 HD12 LEU 56 3.017 0.537 16.811 460 HD13 LEU 56 HD13 LEU 56 1.918 -0.774 16.386 461 HD21 LEU 56 HD21 LEU 56 2.031 -2.350 19.002 462 HD22 LEU 56 HD22 LEU 56 0.592 -1.905 18.083 463 HD23 LEU 56 HD23 LEU 56 0.720 -1.467 19.785 464 H ILE 57 HN ILE 57 3.263 -0.798 22.535 465 HA ILE 57 HA ILE 57 1.183 -2.671 22.714 466 HB ILE 57 HB ILE 57 3.291 -1.943 24.765 467 HG12 ILE 57 HG12 ILE 57 3.206 -4.156 22.693 468 HG13 ILE 57 HG11 ILE 57 4.193 -2.701 22.601 469 HG21 ILE 57 HG21 ILE 57 1.459 -3.119 25.855 470 HG22 ILE 57 HG22 ILE 57 2.885 -4.152 25.757 471 HG23 ILE 57 HG23 ILE 57 1.539 -4.398 24.644 472 HD11 ILE 57 HD11 ILE 57 5.409 -3.415 24.605 473 HD12 ILE 57 HD12 ILE 57 5.520 -4.594 23.299 474 HD13 ILE 57 HD13 ILE 57 4.435 -4.885 24.660 475 H ASN 58 HN ASN 58 1.908 0.094 24.848 476 HA ASN 58 HA ASN 58 -0.399 -0.262 26.498 477 HB2 ASN 58 HB2 ASN 58 1.238 2.254 26.087 478 HB3 ASN 58 HB1 ASN 58 0.164 1.909 27.440 479 HD21 ASN 58 HD21 ASN 58 2.974 2.561 27.451 480 HD22 ASN 58 HD22 ASN 58 3.777 1.240 28.215 481 H ASP 59 HN ASP 59 0.357 1.818 23.741 482 HA ASP 59 HA ASP 59 -1.900 3.500 24.070 483 HB2 ASP 59 HB2 ASP 59 0.389 3.983 22.961 484 HB3 ASP 59 HB1 ASP 59 -0.328 3.277 21.516 485 H VAL 60 HN VAL 60 -1.299 0.674 22.014 486 HA VAL 60 HA VAL 60 -3.385 0.999 20.180 487 HB VAL 60 HB VAL 60 -1.553 -0.657 19.919 488 HG11 VAL 60 HG11 VAL 60 -3.077 -2.257 21.981 489 HG12 VAL 60 HG12 VAL 60 -1.468 -1.561 22.173 490 HG13 VAL 60 HG13 VAL 60 -1.733 -2.858 21.009 491 HG21 VAL 60 HG21 VAL 60 -4.323 -1.858 19.741 492 HG22 VAL 60 HG22 VAL 60 -2.893 -2.406 18.863 493 HG23 VAL 60 HG23 VAL 60 -3.570 -0.811 18.536 494 H ARG 61 HN ARG 61 -3.428 -0.241 23.463 495 HA ARG 61 HA ARG 61 -5.939 -1.478 23.498 496 HB2 ARG 61 HB2 ARG 61 -4.366 -1.611 25.371 497 HB3 ARG 61 HB1 ARG 61 -4.569 0.108 25.687 498 HG2 ARG 61 HG2 ARG 61 -6.925 -0.278 26.263 499 HG3 ARG 61 HG1 ARG 61 -6.716 -2.002 25.945 500 HD2 ARG 61 HD2 ARG 61 -6.592 -1.461 28.353 501 HD3 ARG 61 HD1 ARG 61 -5.100 -2.178 27.742 502 HE ARG 61 HE ARG 61 -5.174 0.718 27.781 503 HH11 ARG 61 HH11 ARG 61 -4.258 -2.142 29.474 504 HH12 ARG 61 HH12 ARG 61 -3.093 -1.313 30.442 505 HH21 ARG 61 HH21 ARG 61 -3.665 1.745 28.996 506 HH22 ARG 61 HH22 ARG 61 -2.756 0.861 30.174 507 H LYS 62 HN LYS 62 -5.070 1.932 23.651 508 HA LYS 62 HA LYS 62 -7.842 2.783 23.957 509 HB2 LYS 62 HB2 LYS 62 -5.346 4.425 23.441 510 HB3 LYS 62 HB1 LYS 62 -6.924 5.057 23.891 511 HG2 LYS 62 HG2 LYS 62 -5.253 3.233 25.616 512 HG3 LYS 62 HG1 LYS 62 -5.298 4.990 25.758 513 HD2 LYS 62 HD2 LYS 62 -7.706 3.188 26.054 514 HD3 LYS 62 HD1 LYS 62 -6.746 3.802 27.401 515 HE2 LYS 62 HE2 LYS 62 -7.271 6.113 26.665 516 HE3 LYS 62 HE1 LYS 62 -8.319 5.447 25.412 517 HZ1 LYS 62 HZ1 LYS 62 -8.657 5.060 28.335 518 HZ2 LYS 62 HZ2 LYS 62 -9.664 4.424 27.135 519 HZ3 LYS 62 HZ3 LYS 62 -9.575 6.095 27.365 520 H LYS 63 HN LYS 63 -5.405 2.502 21.439 521 HA LYS 63 HA LYS 63 -6.889 4.050 19.497 522 HB2 LYS 63 HB2 LYS 63 -4.213 2.854 19.670 523 HB3 LYS 63 HB1 LYS 63 -4.921 2.737 18.070 524 HG2 LYS 63 HG2 LYS 63 -3.790 4.718 17.920 525 HG3 LYS 63 HG1 LYS 63 -5.397 5.277 18.369 526 HD2 LYS 63 HD2 LYS 63 -3.155 4.836 20.343 527 HD3 LYS 63 HD1 LYS 63 -3.488 6.383 19.570 528 HE2 LYS 63 HE2 LYS 63 -5.773 6.318 20.556 529 HE3 LYS 63 HE1 LYS 63 -5.317 4.847 21.417 530 HZ1 LYS 63 HZ1 LYS 63 -5.044 6.724 22.857 531 HZ2 LYS 63 HZ2 LYS 63 -4.091 7.528 21.721 532 HZ3 LYS 63 HZ3 LYS 63 -3.510 6.129 22.465 533 H THR 64 HN THR 64 -7.111 0.849 20.534 534 HA THR 64 HA THR 64 -7.480 -0.509 18.097 535 HB THR 64 HB THR 64 -7.139 -1.805 20.109 536 HG1 THR 64 HG1 THR 64 -9.547 -2.865 19.844 537 HG21 THR 64 HG21 THR 64 -9.824 -0.754 21.033 538 HG22 THR 64 HG22 THR 64 -8.256 -0.364 21.739 539 HG23 THR 64 HG23 THR 64 -8.885 -2.008 21.841 540 H LYS 65 HN LYS 65 -9.158 -0.676 16.719 541 HA LYS 65 HA LYS 65 -11.236 1.143 16.591 542 HB2 LYS 65 HB2 LYS 65 -10.316 -0.425 14.783 543 HB3 LYS 65 HB1 LYS 65 -11.387 -1.652 15.437 544 HG2 LYS 65 HG2 LYS 65 -12.386 1.014 14.463 545 HG3 LYS 65 HG1 LYS 65 -12.188 -0.372 13.396 546 HD2 LYS 65 HD2 LYS 65 -13.749 -1.658 14.831 547 HD3 LYS 65 HD1 LYS 65 -13.986 -0.221 15.826 548 HE2 LYS 65 HE2 LYS 65 -14.850 0.979 13.854 549 HE3 LYS 65 HE1 LYS 65 -14.639 -0.480 12.888 550 HZ1 LYS 65 HZ1 LYS 65 -16.209 -1.608 14.373 551 HZ2 LYS 65 HZ2 LYS 65 -16.912 -0.283 13.588 552 HZ3 LYS 65 HZ3 LYS 65 -16.455 -0.158 15.212 553 H ASN 66 HN ASN 66 -11.414 -2.235 17.704 554 HA ASN 66 HA ASN 66 -13.753 -1.512 19.357 555 HB2 ASN 66 HB2 ASN 66 -14.350 -2.984 17.411 556 HB3 ASN 66 HB1 ASN 66 -13.261 -4.210 18.052 557 HD21 ASN 66 HD21 ASN 66 -16.071 -4.460 17.589 558 HD22 ASN 66 HD22 ASN 66 -16.800 -4.809 19.116 559 H GLU 67 HN GLU 67 -13.592 -2.043 21.505 560 HA GLU 67 HA GLU 67 -11.138 -2.749 22.657 561 HB2 GLU 67 HB2 GLU 67 -13.926 -2.943 23.816 562 HB3 GLU 67 HB1 GLU 67 -12.446 -3.104 24.753 563 HG2 GLU 67 HG2 GLU 67 -11.810 -0.820 24.167 564 HG3 GLU 67 HG1 GLU 67 -13.275 -0.655 23.202 565 H GLU 68 HN GLU 68 -13.835 -4.760 21.634 566 HA GLU 68 HA GLU 68 -13.114 -7.193 22.811 567 HB2 GLU 68 HB2 GLU 68 -14.399 -6.716 20.112 568 HB3 GLU 68 HB1 GLU 68 -14.380 -8.252 20.971 569 HG2 GLU 68 HG2 GLU 68 -15.682 -7.256 22.788 570 HG3 GLU 68 HG1 GLU 68 -15.695 -5.712 21.933 571 H LEU 69 HN LEU 69 -11.937 -5.643 19.864 572 HA LEU 69 HA LEU 69 -10.283 -7.751 18.955 573 HB2 LEU 69 HB2 LEU 69 -10.989 -5.724 17.643 574 HB3 LEU 69 HB1 LEU 69 -9.869 -4.771 18.591 575 HG LEU 69 HG LEU 69 -9.107 -5.441 16.263 576 HD11 LEU 69 HD11 LEU 69 -7.526 -4.633 17.941 577 HD12 LEU 69 HD12 LEU 69 -6.803 -5.871 16.915 578 HD13 LEU 69 HD13 LEU 69 -7.324 -6.276 18.550 579 HD21 LEU 69 HD21 LEU 69 -9.939 -7.737 16.291 580 HD22 LEU 69 HD22 LEU 69 -8.788 -8.147 17.562 581 HD23 LEU 69 HD23 LEU 69 -8.208 -7.685 15.962 582 H ALA 70 HN ALA 70 -9.770 -5.099 21.232 583 HA ALA 70 HA ALA 70 -6.998 -5.376 21.629 584 HB1 ALA 70 HB1 ALA 70 -9.078 -4.411 23.600 585 HB2 ALA 70 HB2 ALA 70 -8.248 -3.420 22.399 586 HB3 ALA 70 HB3 ALA 70 -7.337 -4.149 23.723 587 H LYS 71 HN LYS 71 -9.722 -7.093 23.074 588 HA LYS 71 HA LYS 71 -8.378 -8.397 25.172 589 HB2 LYS 71 HB2 LYS 71 -10.558 -9.750 23.588 590 HB3 LYS 71 HB1 LYS 71 -10.241 -9.838 25.315 591 HG2 LYS 71 HG2 LYS 71 -11.316 -7.430 23.845 592 HG3 LYS 71 HG1 LYS 71 -12.272 -8.565 24.794 593 HD2 LYS 71 HD2 LYS 71 -10.007 -6.926 25.939 594 HD3 LYS 71 HD1 LYS 71 -11.689 -6.397 25.941 595 HE2 LYS 71 HE2 LYS 71 -12.252 -8.512 27.176 596 HE3 LYS 71 HE1 LYS 71 -10.520 -8.814 27.319 597 HZ1 LYS 71 HZ1 LYS 71 -11.422 -7.733 29.287 598 HZ2 LYS 71 HZ2 LYS 71 -11.937 -6.420 28.357 599 HZ3 LYS 71 HZ3 LYS 71 -10.288 -6.742 28.518 600 H ARG 72 HN ARG 72 -8.876 -9.377 21.787 601 HA ARG 72 HA ARG 72 -7.371 -11.803 22.001 602 HB2 ARG 72 HB2 ARG 72 -9.144 -11.361 20.277 603 HB3 ARG 72 HB1 ARG 72 -8.034 -10.245 19.490 604 HG2 ARG 72 HG2 ARG 72 -6.455 -12.074 19.106 605 HG3 ARG 72 HG1 ARG 72 -7.558 -13.196 19.910 606 HD2 ARG 72 HD2 ARG 72 -9.280 -12.618 18.185 607 HD3 ARG 72 HD1 ARG 72 -8.046 -11.675 17.347 608 HE ARG 72 HE ARG 72 -7.164 -14.338 17.800 609 HH11 ARG 72 HH11 ARG 72 -9.230 -12.459 15.773 610 HH12 ARG 72 HH12 ARG 72 -9.149 -13.590 14.466 611 HH21 ARG 72 HH21 ARG 72 -7.084 -15.782 16.096 612 HH22 ARG 72 HH22 ARG 72 -7.969 -15.436 14.650 613 H ALA 73 HN ALA 73 -6.635 -8.510 20.961 614 HA ALA 73 HA ALA 73 -4.083 -8.930 19.874 615 HB1 ALA 73 HB1 ALA 73 -5.116 -6.461 21.274 616 HB2 ALA 73 HB2 ALA 73 -5.358 -6.854 19.572 617 HB3 ALA 73 HB3 ALA 73 -3.734 -6.536 20.182 618 H LYS 74 HN LYS 74 -5.134 -8.586 23.197 619 HA LYS 74 HA LYS 74 -2.790 -7.935 24.507 620 HB2 LYS 74 HB2 LYS 74 -4.975 -8.111 25.616 621 HB3 LYS 74 HB1 LYS 74 -4.945 -9.859 25.419 622 HG2 LYS 74 HG2 LYS 74 -2.934 -9.953 26.862 623 HG3 LYS 74 HG1 LYS 74 -3.068 -8.210 27.113 624 HD2 LYS 74 HD2 LYS 74 -5.303 -8.536 28.095 625 HD3 LYS 74 HD1 LYS 74 -5.150 -10.276 27.851 626 HE2 LYS 74 HE2 LYS 74 -3.212 -10.309 29.361 627 HE3 LYS 74 HE1 LYS 74 -3.378 -8.571 29.611 628 HZ1 LYS 74 HZ1 LYS 74 -5.591 -8.982 30.541 629 HZ2 LYS 74 HZ2 LYS 74 -4.385 -9.773 31.420 630 HZ3 LYS 74 HZ3 LYS 74 -5.366 -10.650 30.360 631 H LYS 75 HN LYS 75 -3.817 -11.119 23.322 632 HA LYS 75 HA LYS 75 -1.785 -12.664 24.510 633 HB2 LYS 75 HB2 LYS 75 -3.382 -13.077 21.977 634 HB3 LYS 75 HB1 LYS 75 -2.222 -14.259 22.564 635 HG2 LYS 75 HG2 LYS 75 -4.387 -14.955 23.264 636 HG3 LYS 75 HG1 LYS 75 -3.526 -14.388 24.693 637 HD2 LYS 75 HD2 LYS 75 -4.718 -12.231 24.531 638 HD3 LYS 75 HD1 LYS 75 -5.598 -12.837 23.127 639 HE2 LYS 75 HE2 LYS 75 -6.560 -14.623 24.515 640 HE3 LYS 75 HE1 LYS 75 -5.692 -13.998 25.914 641 HZ1 LYS 75 HZ1 LYS 75 -7.960 -13.232 25.940 642 HZ2 LYS 75 HZ2 LYS 75 -7.808 -12.584 24.387 643 HZ3 LYS 75 HZ3 LYS 75 -6.937 -11.912 25.668 644 H LEU 76 HN LEU 76 -1.834 -10.842 21.469 645 HA LEU 76 HA LEU 76 0.739 -11.669 20.557 646 HB2 LEU 76 HB2 LEU 76 -0.988 -9.280 19.907 647 HB3 LEU 76 HB1 LEU 76 0.586 -9.516 19.174 648 HG LEU 76 HG LEU 76 -1.124 -10.254 17.645 649 HD11 LEU 76 HD11 LEU 76 -0.404 -12.560 17.250 650 HD12 LEU 76 HD12 LEU 76 0.325 -12.607 18.855 651 HD13 LEU 76 HD13 LEU 76 0.955 -11.504 17.632 652 HD21 LEU 76 HD21 LEU 76 -2.053 -12.146 19.812 653 HD22 LEU 76 HD22 LEU 76 -2.666 -12.076 18.158 654 HD23 LEU 76 HD23 LEU 76 -2.914 -10.712 19.248 655 H LEU 77 HN LEU 77 -0.379 -8.802 22.339 656 HA LEU 77 HA LEU 77 2.090 -7.508 22.619 657 HB2 LEU 77 HB2 LEU 77 -0.441 -7.494 24.242 658 HB3 LEU 77 HB1 LEU 77 0.959 -6.586 24.779 659 HG LEU 77 HG LEU 77 0.891 -5.175 22.826 660 HD11 LEU 77 HD11 LEU 77 -0.792 -5.398 21.081 661 HD12 LEU 77 HD12 LEU 77 -1.399 -6.872 21.837 662 HD13 LEU 77 HD13 LEU 77 0.229 -6.835 21.156 663 HD21 LEU 77 HD21 LEU 77 -1.877 -5.538 23.980 664 HD22 LEU 77 HD22 LEU 77 -1.300 -4.111 23.115 665 HD23 LEU 77 HD23 LEU 77 -0.580 -4.554 24.662 666 H ARG 78 HN ARG 78 0.537 -9.922 24.721 667 HA ARG 78 HA ARG 78 2.539 -10.056 26.698 668 HB2 ARG 78 HB2 ARG 78 0.544 -12.121 25.741 669 HB3 ARG 78 HB1 ARG 78 1.594 -12.371 27.128 670 HG2 ARG 78 HG2 ARG 78 -0.390 -10.109 26.889 671 HG3 ARG 78 HG1 ARG 78 -0.707 -11.635 27.715 672 HD2 ARG 78 HD2 ARG 78 1.434 -9.624 28.429 673 HD3 ARG 78 HD1 ARG 78 -0.065 -9.914 29.315 674 HE ARG 78 HE ARG 78 1.298 -12.339 29.149 675 HH11 ARG 78 HH11 ARG 78 1.709 -9.256 30.635 676 HH12 ARG 78 HH12 ARG 78 2.672 -9.889 31.918 677 HH21 ARG 78 HH21 ARG 78 2.523 -13.131 30.802 678 HH22 ARG 78 HH22 ARG 78 3.140 -12.053 32.008 679 H SER 79 HN SER 79 2.250 -11.587 23.556 680 HA SER 79 HA SER 79 4.297 -13.503 23.781 681 HB2 SER 79 HB2 SER 79 2.648 -13.466 21.929 682 HB3 SER 79 HB1 SER 79 3.423 -12.019 21.284 683 HG SER 79 HG SER 79 4.175 -14.648 21.096 684 H TRP 80 HN TRP 80 4.453 -10.056 23.359 685 HA TRP 80 HA TRP 80 7.306 -10.100 22.711 686 HB2 TRP 80 HB2 TRP 80 5.546 -7.705 23.302 687 HB3 TRP 80 HB1 TRP 80 7.144 -7.683 22.566 688 HD1 TRP 80 HD1 TRP 80 5.845 -10.387 20.725 689 HE1 TRP 80 HE1 TRP 80 4.615 -9.669 18.586 690 HE3 TRP 80 HE3 TRP 80 5.148 -5.451 21.817 691 HZ2 TRP 80 HZ2 TRP 80 3.509 -7.307 17.492 692 HZ3 TRP 80 HZ3 TRP 80 4.009 -4.020 20.180 693 HH2 TRP 80 HH2 TRP 80 3.202 -4.932 18.054 694 H GLN 81 HN GLN 81 5.172 -9.429 25.422 695 HA GLN 81 HA GLN 81 6.967 -8.110 27.133 696 HB2 GLN 81 HB2 GLN 81 4.545 -9.800 27.767 697 HB3 GLN 81 HB1 GLN 81 5.404 -8.835 28.961 698 HG2 GLN 81 HG2 GLN 81 4.028 -7.769 26.497 699 HG3 GLN 81 HG1 GLN 81 3.399 -7.704 28.143 700 HE21 GLN 81 HE21 GLN 81 5.709 -6.394 25.911 701 HE22 GLN 81 HE22 GLN 81 6.177 -5.045 26.878 702 H LYS 82 HN LYS 82 6.938 -11.423 26.241 703 HA LYS 82 HA LYS 82 7.619 -12.693 28.634 704 HB2 LYS 82 HB2 LYS 82 8.160 -14.596 27.354 705 HB3 LYS 82 HB1 LYS 82 6.929 -13.760 26.422 706 HG2 LYS 82 HG2 LYS 82 9.895 -13.849 25.879 707 HG3 LYS 82 HG1 LYS 82 8.600 -14.561 24.918 708 HD2 LYS 82 HD2 LYS 82 7.742 -12.250 24.494 709 HD3 LYS 82 HD1 LYS 82 9.167 -11.620 25.315 710 HE2 LYS 82 HE2 LYS 82 9.563 -11.542 22.955 711 HE3 LYS 82 HE1 LYS 82 10.582 -12.806 23.643 712 HZ1 LYS 82 HZ1 LYS 82 9.086 -14.468 22.848 713 HZ2 LYS 82 HZ2 LYS 82 9.458 -13.445 21.557 714 HZ3 LYS 82 HZ3 LYS 82 7.964 -13.306 22.338 715 H LEU 83 HN LEU 83 9.538 -10.545 26.812 716 HA LEU 83 HA LEU 83 12.100 -11.593 27.470 717 HB2 LEU 83 HB2 LEU 83 12.920 -9.293 26.841 718 HB3 LEU 83 HB1 LEU 83 12.036 -10.166 25.610 719 HG LEU 83 HG LEU 83 9.988 -8.763 26.430 720 HD11 LEU 83 HD11 LEU 83 11.035 -7.802 28.404 721 HD12 LEU 83 HD12 LEU 83 10.574 -6.543 27.260 722 HD13 LEU 83 HD13 LEU 83 12.264 -7.034 27.396 723 HD21 LEU 83 HD21 LEU 83 12.239 -7.515 24.853 724 HD22 LEU 83 HD22 LEU 83 10.558 -6.983 24.847 725 HD23 LEU 83 HD23 LEU 83 10.979 -8.574 24.219 726 H ILE 84 HN ILE 84 9.930 -9.347 29.139 727 HA ILE 84 HA ILE 84 11.845 -9.284 31.382 728 HB ILE 84 HB ILE 84 10.255 -7.500 32.337 729 HG12 ILE 84 HG12 ILE 84 9.165 -6.146 30.430 730 HG13 ILE 84 HG11 ILE 84 9.289 -7.615 29.473 731 HG21 ILE 84 HG21 ILE 84 11.927 -6.920 29.895 732 HG22 ILE 84 HG22 ILE 84 12.484 -6.997 31.567 733 HG23 ILE 84 HG23 ILE 84 11.379 -5.718 31.063 734 HD11 ILE 84 HD11 ILE 84 7.081 -7.373 30.428 735 HD12 ILE 84 HD12 ILE 84 7.767 -7.298 32.049 736 HD13 ILE 84 HD13 ILE 84 7.893 -8.783 31.107 737 H GLU 85 HN GLU 85 9.030 -10.850 30.392 738 HA GLU 85 HA GLU 85 7.873 -11.279 32.992 739 HB2 GLU 85 HB2 GLU 85 7.459 -12.707 30.354 740 HB3 GLU 85 HB1 GLU 85 6.549 -13.066 31.814 741 HG2 GLU 85 HG2 GLU 85 6.591 -10.392 30.424 742 HG3 GLU 85 HG1 GLU 85 5.340 -11.617 30.226 743 HA PRO 86 HA PRO 86 10.607 -14.635 34.207 744 HB2 PRO 86 HB2 PRO 86 9.237 -15.540 36.351 745 HB3 PRO 86 HB1 PRO 86 10.081 -13.986 36.366 746 HG2 PRO 86 HG2 PRO 86 7.166 -14.552 35.935 747 HG3 PRO 86 HG1 PRO 86 7.925 -13.306 36.944 748 HD2 PRO 86 HD2 PRO 86 6.934 -12.807 34.450 749 HD3 PRO 86 HD1 PRO 86 8.292 -11.903 35.150 750 H ALA 87 HN ALA 87 8.069 -15.055 32.349 751 HA ALA 87 HA ALA 87 8.192 -17.981 32.450 752 HB1 ALA 87 HB1 ALA 87 6.183 -17.343 33.708 753 HB2 ALA 87 HB2 ALA 87 5.775 -18.200 32.220 754 HB3 ALA 87 HB3 ALA 87 5.593 -16.446 32.310 755 H HIS 88 HN HIS 88 9.270 -18.222 30.538 756 HA HIS 88 HA HIS 88 8.437 -16.782 28.156 757 HB2 HIS 88 HB2 HIS 88 10.575 -18.882 28.600 758 HB3 HIS 88 HB1 HIS 88 10.268 -18.103 27.051 759 HD1 HIS 88 HD1 HIS 88 12.221 -17.724 30.094 760 HD2 HIS 88 HD2 HIS 88 10.672 -15.195 27.184 761 HE1 HIS 88 HE1 HIS 88 13.495 -15.572 30.319 762 HE2 HIS 88 HE2 HIS 88 12.551 -14.063 28.546 763 H GLN 89 HN GLN 89 6.395 -17.491 27.584 764 HA GLN 89 HA GLN 89 5.634 -20.244 27.518 765 HB2 GLN 89 HB2 GLN 89 3.992 -18.428 27.804 766 HB3 GLN 89 HB1 GLN 89 4.344 -17.852 26.179 767 HG2 GLN 89 HG2 GLN 89 3.564 -20.056 25.300 768 HG3 GLN 89 HG1 GLN 89 3.071 -20.477 26.939 769 HE21 GLN 89 HE21 GLN 89 2.382 -18.518 24.157 770 HE22 GLN 89 HE22 GLN 89 0.813 -18.004 24.664 771 H HIS 90 HN HIS 90 6.247 -21.708 26.064 772 HA HIS 90 HA HIS 90 6.634 -22.769 24.093 773 HB2 HIS 90 HB2 HIS 90 4.572 -21.657 23.355 774 HB3 HIS 90 HB1 HIS 90 5.499 -20.250 22.851 775 HD1 HIS 90 HD1 HIS 90 6.677 -20.365 20.593 776 HD2 HIS 90 HD2 HIS 90 4.810 -23.922 21.653 777 HE1 HIS 90 HE1 HIS 90 6.688 -21.770 18.520 778 HE2 HIS 90 HE2 HIS 90 5.725 -23.976 19.231 779 H GLU 91 HN GLU 91 8.318 -20.042 24.976 780 HA GLU 91 HA GLU 91 9.890 -19.629 22.619 781 HB2 GLU 91 HB2 GLU 91 10.424 -18.745 25.465 782 HB3 GLU 91 HB1 GLU 91 11.253 -18.152 24.032 783 HG2 GLU 91 HG2 GLU 91 8.314 -17.819 24.629 784 HG3 GLU 91 HG1 GLU 91 9.553 -16.581 24.823 785 H ALA 92 HN ALA 92 10.648 -21.717 22.121 786 HA ALA 92 HA ALA 92 13.174 -22.358 23.446 787 HB1 ALA 92 HB1 ALA 92 11.549 -23.764 24.613 788 HB2 ALA 92 HB2 ALA 92 12.650 -24.744 23.645 789 HB3 ALA 92 HB3 ALA 92 11.009 -24.436 23.074 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 6.099 -0.958 -2.648 2 H2 MET 1 HT2 MET 1 5.298 -1.296 -1.202 3 H3 MET 1 HT3 MET 1 5.066 0.194 -1.963 4 HA MET 1 HA MET 1 3.157 -1.158 -2.349 5 HB2 MET 1 HB2 MET 1 4.895 -1.023 -4.828 6 HB3 MET 1 HB1 MET 1 3.145 -1.183 -4.810 7 HG2 MET 1 HG2 MET 1 2.957 1.013 -3.745 8 HG3 MET 1 HG1 MET 1 4.712 1.174 -3.778 9 HE1 MET 1 HE1 MET 1 2.022 1.086 -7.534 10 HE2 MET 1 HE2 MET 1 1.422 1.004 -5.877 11 HE3 MET 1 HE3 MET 1 2.320 -0.353 -6.557 12 H THR 2 HN THR 2 6.172 -2.818 -3.163 13 HA THR 2 HA THR 2 4.780 -5.370 -2.801 14 HB THR 2 HB THR 2 4.801 -5.206 -5.185 15 HG1 THR 2 HG1 THR 2 5.337 -7.238 -5.046 16 HG21 THR 2 HG21 THR 2 6.823 -4.835 -6.506 17 HG22 THR 2 HG22 THR 2 7.768 -4.646 -5.031 18 HG23 THR 2 HG23 THR 2 6.522 -3.465 -5.435 19 H ALA 3 HN ALA 3 5.843 -5.143 -0.731 20 HA ALA 3 HA ALA 3 8.405 -6.508 -0.713 21 HB1 ALA 3 HB1 ALA 3 9.490 -4.899 0.790 22 HB2 ALA 3 HB2 ALA 3 8.100 -3.822 0.643 23 HB3 ALA 3 HB3 ALA 3 9.103 -4.164 -0.767 24 H ALA 4 HN ALA 4 8.755 -7.689 1.162 25 HA ALA 4 HA ALA 4 6.417 -8.165 2.804 26 HB1 ALA 4 HB1 ALA 4 7.738 -10.050 1.973 27 HB2 ALA 4 HB2 ALA 4 7.723 -10.022 3.737 28 HB3 ALA 4 HB3 ALA 4 9.147 -9.464 2.859 29 HA PRO 5 HA PRO 5 7.326 -5.599 6.327 30 HB2 PRO 5 HB2 PRO 5 6.782 -8.049 7.952 31 HB3 PRO 5 HB1 PRO 5 6.106 -6.422 8.107 32 HG2 PRO 5 HG2 PRO 5 4.663 -8.375 7.019 33 HG3 PRO 5 HG1 PRO 5 4.608 -6.731 6.354 34 HD2 PRO 5 HD2 PRO 5 6.001 -9.159 5.298 35 HD3 PRO 5 HD1 PRO 5 5.199 -7.842 4.415 36 H ALA 6 HN ALA 6 8.516 -8.940 6.803 37 HA ALA 6 HA ALA 6 10.495 -9.801 7.505 38 HB1 ALA 6 HB1 ALA 6 11.635 -7.372 6.128 39 HB2 ALA 6 HB2 ALA 6 11.161 -8.874 5.335 40 HB3 ALA 6 HB3 ALA 6 12.494 -8.871 6.490 41 H SER 7 HN SER 7 11.572 -6.426 7.789 42 HA SER 7 HA SER 7 12.526 -6.986 10.487 43 HB2 SER 7 HB2 SER 7 12.922 -4.540 8.740 44 HB3 SER 7 HB1 SER 7 13.711 -4.830 10.291 45 HG SER 7 HG SER 7 14.516 -5.592 7.901 46 HA PRO 8 HA PRO 8 8.869 -5.148 12.449 47 HB2 PRO 8 HB2 PRO 8 10.920 -4.956 14.625 48 HB3 PRO 8 HB1 PRO 8 9.247 -5.528 14.701 49 HG2 PRO 8 HG2 PRO 8 11.242 -7.277 14.681 50 HG3 PRO 8 HG1 PRO 8 9.772 -7.589 13.736 51 HD2 PRO 8 HD2 PRO 8 12.471 -6.682 12.808 52 HD3 PRO 8 HD1 PRO 8 11.316 -7.781 12.023 53 H GLN 9 HN GLN 9 12.052 -3.742 12.176 54 HA GLN 9 HA GLN 9 11.687 -1.245 13.384 55 HB2 GLN 9 HB2 GLN 9 13.349 -1.710 10.902 56 HB3 GLN 9 HB1 GLN 9 13.631 -0.542 12.183 57 HG2 GLN 9 HG2 GLN 9 13.859 -3.535 12.463 58 HG3 GLN 9 HG1 GLN 9 15.202 -2.421 12.243 59 HE21 GLN 9 HE21 GLN 9 14.778 -4.245 14.416 60 HE22 GLN 9 HE22 GLN 9 14.691 -3.291 15.850 61 H GLN 10 HN GLN 10 10.851 -2.383 10.164 62 HA GLN 10 HA GLN 10 10.268 0.148 9.012 63 HB2 GLN 10 HB2 GLN 10 9.489 -2.664 8.234 64 HB3 GLN 10 HB1 GLN 10 9.082 -1.250 7.267 65 HG2 GLN 10 HG2 GLN 10 11.388 -0.760 6.873 66 HG3 GLN 10 HG1 GLN 10 11.904 -1.984 8.031 67 HE21 GLN 10 HE21 GLN 10 10.055 -3.991 7.195 68 HE22 GLN 10 HE22 GLN 10 10.556 -4.543 5.639 69 H ILE 11 HN ILE 11 8.400 -2.047 10.963 70 HA ILE 11 HA ILE 11 5.790 -1.303 10.253 71 HB ILE 11 HB ILE 11 6.808 -2.257 12.944 72 HG12 ILE 11 HG12 ILE 11 5.592 -3.787 10.620 73 HG13 ILE 11 HG11 ILE 11 7.292 -3.807 11.076 74 HG21 ILE 11 HG21 ILE 11 4.619 -1.219 13.179 75 HG22 ILE 11 HG22 ILE 11 4.479 -2.967 13.352 76 HG23 ILE 11 HG23 ILE 11 3.990 -2.190 11.846 77 HD11 ILE 11 HD11 ILE 11 6.686 -4.835 13.219 78 HD12 ILE 11 HD12 ILE 11 6.176 -5.807 11.839 79 HD13 ILE 11 HD13 ILE 11 4.993 -4.844 12.724 80 H ARG 12 HN ARG 12 8.114 0.273 12.357 81 HA ARG 12 HA ARG 12 6.481 1.936 13.870 82 HB2 ARG 12 HB2 ARG 12 8.821 1.758 14.366 83 HB3 ARG 12 HB1 ARG 12 9.269 2.374 12.783 84 HG2 ARG 12 HG2 ARG 12 8.433 4.574 13.359 85 HG3 ARG 12 HG1 ARG 12 7.849 3.976 14.912 86 HD2 ARG 12 HD2 ARG 12 10.072 3.593 15.692 87 HD3 ARG 12 HD1 ARG 12 10.749 3.864 14.087 88 HE ARG 12 HE ARG 12 10.198 6.208 14.327 89 HH11 ARG 12 HH11 ARG 12 10.057 4.341 17.234 90 HH12 ARG 12 HH12 ARG 12 10.269 5.725 18.246 91 HH21 ARG 12 HH21 ARG 12 10.498 7.954 15.667 92 HH22 ARG 12 HH22 ARG 12 10.528 7.721 17.381 93 H ASP 13 HN ASP 13 7.565 2.371 10.519 94 HA ASP 13 HA ASP 13 6.888 5.050 10.142 95 HB2 ASP 13 HB2 ASP 13 8.110 3.668 8.484 96 HB3 ASP 13 HB1 ASP 13 6.620 2.798 8.129 97 H ARG 14 HN ARG 14 4.844 2.156 9.881 98 HA ARG 14 HA ARG 14 2.526 3.409 8.920 99 HB2 ARG 14 HB2 ARG 14 2.872 0.894 10.558 100 HB3 ARG 14 HB1 ARG 14 1.317 1.419 9.926 101 HG2 ARG 14 HG2 ARG 14 2.358 1.381 7.628 102 HG3 ARG 14 HG1 ARG 14 3.753 0.587 8.361 103 HD2 ARG 14 HD2 ARG 14 2.365 -1.256 9.099 104 HD3 ARG 14 HD1 ARG 14 0.915 -0.446 8.511 105 HE ARG 14 HE ARG 14 2.783 -1.981 6.983 106 HH11 ARG 14 HH11 ARG 14 0.563 0.645 6.768 107 HH12 ARG 14 HH12 ARG 14 0.176 0.335 5.114 108 HH21 ARG 14 HH21 ARG 14 2.269 -2.369 4.854 109 HH22 ARG 14 HH22 ARG 14 1.132 -1.353 4.048 110 H LEU 15 HN LEU 15 3.780 3.131 12.188 111 HA LEU 15 HA LEU 15 1.460 3.953 13.585 112 HB2 LEU 15 HB2 LEU 15 3.477 2.890 14.599 113 HB3 LEU 15 HB1 LEU 15 4.363 4.379 14.344 114 HG LEU 15 HG LEU 15 1.873 4.330 16.052 115 HD11 LEU 15 HD11 LEU 15 3.292 3.997 18.016 116 HD12 LEU 15 HD12 LEU 15 4.697 3.767 16.973 117 HD13 LEU 15 HD13 LEU 15 3.369 2.606 16.935 118 HD21 LEU 15 HD21 LEU 15 4.317 6.116 16.018 119 HD22 LEU 15 HD22 LEU 15 2.959 6.259 17.135 120 HD23 LEU 15 HD23 LEU 15 2.712 6.533 15.412 121 H LEU 16 HN LEU 16 4.248 5.819 12.376 122 HA LEU 16 HA LEU 16 3.468 8.328 13.363 123 HB2 LEU 16 HB2 LEU 16 5.263 7.491 11.103 124 HB3 LEU 16 HB1 LEU 16 4.942 9.186 11.404 125 HG LEU 16 HG LEU 16 5.891 8.971 13.668 126 HD11 LEU 16 HD11 LEU 16 5.394 6.630 14.109 127 HD12 LEU 16 HD12 LEU 16 7.114 6.954 14.316 128 HD13 LEU 16 HD13 LEU 16 6.540 6.136 12.862 129 HD21 LEU 16 HD21 LEU 16 7.720 7.974 11.481 130 HD22 LEU 16 HD22 LEU 16 8.228 8.720 12.997 131 HD23 LEU 16 HD23 LEU 16 7.320 9.660 11.815 132 H GLN 17 HN GLN 17 2.671 6.753 10.294 133 HA GLN 17 HA GLN 17 1.341 9.080 9.231 134 HB2 GLN 17 HB2 GLN 17 0.730 7.613 7.352 135 HB3 GLN 17 HB1 GLN 17 2.444 7.532 7.724 136 HG2 GLN 17 HG2 GLN 17 2.041 5.319 7.454 137 HG3 GLN 17 HG1 GLN 17 1.666 5.449 9.170 138 HE21 GLN 17 HE21 GLN 17 0.236 3.754 9.222 139 HE22 GLN 17 HE22 GLN 17 -1.288 3.773 8.419 140 H ALA 18 HN ALA 18 0.369 6.611 11.394 141 HA ALA 18 HA ALA 18 -2.412 6.589 10.511 142 HB1 ALA 18 HB1 ALA 18 -1.357 4.484 11.125 143 HB2 ALA 18 HB2 ALA 18 -2.718 4.837 12.191 144 HB3 ALA 18 HB3 ALA 18 -1.065 5.091 12.755 145 H ILE 19 HN ILE 19 -0.529 8.057 13.077 146 HA ILE 19 HA ILE 19 -2.989 9.187 14.250 147 HB ILE 19 HB ILE 19 -2.175 8.728 16.544 148 HG12 ILE 19 HG12 ILE 19 -0.121 6.967 15.171 149 HG13 ILE 19 HG11 ILE 19 0.230 8.509 15.940 150 HG21 ILE 19 HG21 ILE 19 -2.757 6.351 16.616 151 HG22 ILE 19 HG22 ILE 19 -2.538 6.237 14.870 152 HG23 ILE 19 HG23 ILE 19 -3.830 7.238 15.533 153 HD11 ILE 19 HD11 ILE 19 0.848 6.653 17.362 154 HD12 ILE 19 HD12 ILE 19 -0.807 6.046 17.320 155 HD13 ILE 19 HD13 ILE 19 -0.453 7.594 18.090 156 H ASP 20 HN ASP 20 -2.648 11.028 15.642 157 HA ASP 20 HA ASP 20 -0.268 12.608 15.155 158 HB2 ASP 20 HB2 ASP 20 -2.786 13.032 16.775 159 HB3 ASP 20 HB1 ASP 20 -1.426 14.145 16.883 160 HA PRO 21 HA PRO 21 2.333 11.529 18.593 161 HB2 PRO 21 HB2 PRO 21 2.024 14.350 19.555 162 HB3 PRO 21 HB1 PRO 21 3.495 13.394 19.331 163 HG2 PRO 21 HG2 PRO 21 2.824 15.247 17.550 164 HG3 PRO 21 HG1 PRO 21 3.489 13.690 17.017 165 HD2 PRO 21 HD2 PRO 21 0.671 14.680 16.928 166 HD3 PRO 21 HD1 PRO 21 1.537 13.631 15.786 167 H GLN 22 HN GLN 22 -0.694 13.162 19.283 168 HA GLN 22 HA GLN 22 -0.676 12.259 22.067 169 HB2 GLN 22 HB2 GLN 22 -2.418 14.151 20.515 170 HB3 GLN 22 HB1 GLN 22 -2.959 13.505 22.060 171 HG2 GLN 22 HG2 GLN 22 -0.450 15.104 21.578 172 HG3 GLN 22 HG1 GLN 22 -1.927 15.679 22.349 173 HE21 GLN 22 HE21 GLN 22 -2.346 13.168 23.801 174 HE22 GLN 22 HE22 GLN 22 -1.173 13.141 25.064 175 H SER 23 HN SER 23 -1.063 10.452 19.630 176 HA SER 23 HA SER 23 -2.148 8.510 19.181 177 HB2 SER 23 HB2 SER 23 -2.884 7.183 21.095 178 HB3 SER 23 HB1 SER 23 -1.381 8.010 21.478 179 HG SER 23 HG SER 23 -3.571 9.483 22.178 180 H ASN 24 HN ASN 24 -3.735 10.955 18.761 181 HA ASN 24 HA ASN 24 -6.455 9.970 19.267 182 HB2 ASN 24 HB2 ASN 24 -7.166 12.254 18.460 183 HB3 ASN 24 HB1 ASN 24 -6.221 12.238 19.945 184 HD21 ASN 24 HD21 ASN 24 -4.201 13.152 19.959 185 HD22 ASN 24 HD22 ASN 24 -3.604 14.111 18.650 186 H ILE 25 HN ILE 25 -8.049 9.988 17.568 187 HA ILE 25 HA ILE 25 -7.010 8.559 15.307 188 HB ILE 25 HB ILE 25 -9.855 9.300 16.021 189 HG12 ILE 25 HG12 ILE 25 -8.738 7.773 17.620 190 HG13 ILE 25 HG11 ILE 25 -10.051 6.978 16.758 191 HG21 ILE 25 HG21 ILE 25 -8.851 7.400 13.892 192 HG22 ILE 25 HG22 ILE 25 -9.667 8.939 13.617 193 HG23 ILE 25 HG23 ILE 25 -10.537 7.603 14.371 194 HD11 ILE 25 HD11 ILE 25 -7.112 6.695 16.173 195 HD12 ILE 25 HD12 ILE 25 -8.415 5.923 15.268 196 HD13 ILE 25 HD13 ILE 25 -8.150 5.508 16.961 197 H ARG 26 HN ARG 26 -6.174 9.631 13.608 198 HA ARG 26 HA ARG 26 -7.841 11.712 12.328 199 HB2 ARG 26 HB2 ARG 26 -4.917 11.131 12.321 200 HB3 ARG 26 HB1 ARG 26 -5.601 11.695 10.806 201 HG2 ARG 26 HG2 ARG 26 -4.630 13.491 12.196 202 HG3 ARG 26 HG1 ARG 26 -6.332 13.739 11.812 203 HD2 ARG 26 HD2 ARG 26 -7.006 13.127 14.007 204 HD3 ARG 26 HD1 ARG 26 -5.401 12.505 14.398 205 HE ARG 26 HE ARG 26 -4.598 14.754 14.459 206 HH11 ARG 26 HH11 ARG 26 -8.027 14.547 14.166 207 HH12 ARG 26 HH12 ARG 26 -8.277 16.106 14.872 208 HH21 ARG 26 HH21 ARG 26 -4.937 16.729 15.351 209 HH22 ARG 26 HH22 ARG 26 -6.548 17.329 15.535 210 H ASN 27 HN ASN 27 -6.098 8.682 11.720 211 HA ASN 27 HA ASN 27 -7.962 8.077 9.529 212 HB2 ASN 27 HB2 ASN 27 -4.946 7.891 9.416 213 HB3 ASN 27 HB1 ASN 27 -5.997 7.064 8.273 214 HD21 ASN 27 HD21 ASN 27 -4.849 10.160 9.377 215 HD22 ASN 27 HD22 ASN 27 -5.416 11.068 8.022 216 H MET 28 HN MET 28 -9.095 6.540 10.694 217 HA MET 28 HA MET 28 -7.913 4.561 12.334 218 HB2 MET 28 HB2 MET 28 -10.283 5.195 12.517 219 HB3 MET 28 HB1 MET 28 -10.598 4.501 10.932 220 HG2 MET 28 HG2 MET 28 -10.074 2.289 11.749 221 HG3 MET 28 HG1 MET 28 -9.602 2.944 13.315 222 HE1 MET 28 HE1 MET 28 -11.852 5.156 13.794 223 HE2 MET 28 HE2 MET 28 -11.299 4.033 15.036 224 HE3 MET 28 HE3 MET 28 -13.024 4.224 14.725 225 H VAL 29 HN VAL 29 -8.772 4.591 8.906 226 HA VAL 29 HA VAL 29 -8.272 1.899 8.300 227 HB VAL 29 HB VAL 29 -9.312 3.421 6.686 228 HG11 VAL 29 HG11 VAL 29 -8.024 5.442 7.141 229 HG12 VAL 29 HG12 VAL 29 -7.981 5.054 5.421 230 HG13 VAL 29 HG13 VAL 29 -6.584 4.703 6.439 231 HG21 VAL 29 HG21 VAL 29 -8.122 2.681 4.667 232 HG22 VAL 29 HG22 VAL 29 -8.274 1.379 5.846 233 HG23 VAL 29 HG23 VAL 29 -6.735 2.220 5.656 234 H ALA 30 HN ALA 30 -6.056 4.636 8.599 235 HA ALA 30 HA ALA 30 -3.718 3.285 7.707 236 HB1 ALA 30 HB1 ALA 30 -2.500 5.171 8.662 237 HB2 ALA 30 HB2 ALA 30 -3.956 5.698 9.508 238 HB3 ALA 30 HB3 ALA 30 -3.900 5.727 7.745 239 H VAL 31 HN VAL 31 -5.239 3.694 10.867 240 HA VAL 31 HA VAL 31 -3.296 2.426 12.459 241 HB VAL 31 HB VAL 31 -6.297 2.684 12.754 242 HG11 VAL 31 HG11 VAL 31 -5.645 0.596 13.866 243 HG12 VAL 31 HG12 VAL 31 -6.110 1.831 15.035 244 HG13 VAL 31 HG13 VAL 31 -4.405 1.464 14.771 245 HG21 VAL 31 HG21 VAL 31 -3.994 3.905 14.279 246 HG22 VAL 31 HG22 VAL 31 -5.708 4.223 14.553 247 HG23 VAL 31 HG23 VAL 31 -4.953 4.715 13.037 248 H LEU 32 HN LEU 32 -6.108 1.085 10.728 249 HA LEU 32 HA LEU 32 -5.830 -1.592 11.441 250 HB2 LEU 32 HB2 LEU 32 -6.747 -0.476 8.782 251 HB3 LEU 32 HB1 LEU 32 -7.048 -2.105 9.357 252 HG LEU 32 HG LEU 32 -8.111 0.422 10.642 253 HD11 LEU 32 HD11 LEU 32 -9.167 -0.015 8.490 254 HD12 LEU 32 HD12 LEU 32 -10.290 -0.315 9.817 255 HD13 LEU 32 HD13 LEU 32 -9.522 -1.669 8.988 256 HD21 LEU 32 HD21 LEU 32 -9.475 -1.118 11.993 257 HD22 LEU 32 HD22 LEU 32 -7.750 -1.324 12.289 258 HD23 LEU 32 HD23 LEU 32 -8.616 -2.487 11.283 259 H GLU 33 HN GLU 33 -4.074 0.266 9.028 260 HA GLU 33 HA GLU 33 -2.751 -1.792 7.673 261 HB2 GLU 33 HB2 GLU 33 -1.976 1.057 8.286 262 HB3 GLU 33 HB1 GLU 33 -0.956 0.009 7.316 263 HG2 GLU 33 HG2 GLU 33 -3.835 0.501 6.607 264 HG3 GLU 33 HG1 GLU 33 -2.549 1.598 6.102 265 H VAL 34 HN VAL 34 -1.715 -0.030 10.634 266 HA VAL 34 HA VAL 34 0.727 -1.522 10.822 267 HB VAL 34 HB VAL 34 0.653 0.719 11.755 268 HG11 VAL 34 HG11 VAL 34 -1.657 0.798 12.512 269 HG12 VAL 34 HG12 VAL 34 -0.553 1.246 13.810 270 HG13 VAL 34 HG13 VAL 34 -1.289 -0.356 13.795 271 HG21 VAL 34 HG21 VAL 34 1.098 -1.380 13.883 272 HG22 VAL 34 HG22 VAL 34 1.711 0.273 13.931 273 HG23 VAL 34 HG23 VAL 34 2.275 -0.839 12.684 274 H ILE 35 HN ILE 35 -2.410 -1.732 12.529 275 HA ILE 35 HA ILE 35 -1.792 -3.867 14.233 276 HB ILE 35 HB ILE 35 -4.387 -3.024 12.947 277 HG12 ILE 35 HG12 ILE 35 -5.023 -2.575 15.326 278 HG13 ILE 35 HG11 ILE 35 -3.414 -3.068 15.822 279 HG21 ILE 35 HG21 ILE 35 -4.564 -5.433 13.095 280 HG22 ILE 35 HG22 ILE 35 -5.570 -4.694 14.340 281 HG23 ILE 35 HG23 ILE 35 -4.014 -5.405 14.771 282 HD11 ILE 35 HD11 ILE 35 -2.453 -1.214 14.596 283 HD12 ILE 35 HD12 ILE 35 -3.643 -0.664 15.776 284 HD13 ILE 35 HD13 ILE 35 -4.063 -0.729 14.064 285 H SER 36 HN SER 36 -3.004 -3.946 10.878 286 HA SER 36 HA SER 36 -3.203 -6.722 10.587 287 HB2 SER 36 HB2 SER 36 -4.128 -5.127 8.948 288 HB3 SER 36 HB1 SER 36 -2.492 -4.704 8.440 289 HG SER 36 HG SER 36 -2.601 -7.310 8.273 290 H SER 37 HN SER 37 -0.393 -4.617 10.285 291 HA SER 37 HA SER 37 1.404 -6.462 9.136 292 HB2 SER 37 HB2 SER 37 1.991 -4.183 11.055 293 HB3 SER 37 HB1 SER 37 3.194 -5.027 10.082 294 HG SER 37 HG SER 37 0.953 -3.662 8.987 295 H LEU 38 HN LEU 38 0.672 -5.748 12.545 296 HA LEU 38 HA LEU 38 2.518 -7.617 13.636 297 HB2 LEU 38 HB2 LEU 38 0.147 -6.150 14.750 298 HB3 LEU 38 HB1 LEU 38 0.966 -7.368 15.706 299 HG LEU 38 HG LEU 38 3.059 -6.080 15.580 300 HD11 LEU 38 HD11 LEU 38 1.425 -4.011 14.111 301 HD12 LEU 38 HD12 LEU 38 2.729 -4.981 13.426 302 HD13 LEU 38 HD13 LEU 38 3.078 -3.805 14.692 303 HD21 LEU 38 HD21 LEU 38 2.377 -4.227 17.026 304 HD22 LEU 38 HD22 LEU 38 1.538 -5.719 17.453 305 HD23 LEU 38 HD23 LEU 38 0.697 -4.463 16.543 306 H GLU 39 HN GLU 39 -0.709 -7.956 12.388 307 HA GLU 39 HA GLU 39 -1.592 -10.224 13.765 308 HB2 GLU 39 HB2 GLU 39 -2.173 -9.312 10.939 309 HB3 GLU 39 HB1 GLU 39 -3.028 -10.626 11.735 310 HG2 GLU 39 HG2 GLU 39 -2.942 -7.784 12.735 311 HG3 GLU 39 HG1 GLU 39 -4.245 -8.476 11.770 312 H LYS 40 HN LYS 40 0.333 -10.038 10.758 313 HA LYS 40 HA LYS 40 0.680 -12.957 10.872 314 HB2 LYS 40 HB2 LYS 40 1.265 -10.966 8.679 315 HB3 LYS 40 HB1 LYS 40 1.745 -12.656 8.598 316 HG2 LYS 40 HG2 LYS 40 -1.057 -11.547 8.698 317 HG3 LYS 40 HG1 LYS 40 -0.281 -12.422 7.373 318 HD2 LYS 40 HD2 LYS 40 -0.070 -14.386 8.962 319 HD3 LYS 40 HD1 LYS 40 -1.124 -13.502 10.066 320 HE2 LYS 40 HE2 LYS 40 -2.500 -15.004 8.837 321 HE3 LYS 40 HE1 LYS 40 -2.810 -13.389 8.201 322 HZ1 LYS 40 HZ1 LYS 40 -1.332 -13.865 6.354 323 HZ2 LYS 40 HZ2 LYS 40 -2.562 -15.020 6.434 324 HZ3 LYS 40 HZ3 LYS 40 -1.008 -15.404 6.976 325 H TYR 41 HN TYR 41 2.450 -10.045 11.504 326 HA TYR 41 HA TYR 41 4.813 -11.682 12.103 327 HB2 TYR 41 HB2 TYR 41 4.856 -9.140 10.459 328 HB3 TYR 41 HB1 TYR 41 6.296 -9.881 11.156 329 HD1 TYR 41 HD1 TYR 41 4.000 -9.909 8.382 330 HD2 TYR 41 HD2 TYR 41 6.878 -12.261 10.463 331 HE1 TYR 41 HE1 TYR 41 4.178 -11.405 6.439 332 HE2 TYR 41 HE2 TYR 41 7.063 -13.757 8.523 333 HH TYR 41 HH TYR 41 5.665 -14.430 6.574 334 HA PRO 42 HA PRO 42 4.022 -9.086 15.764 335 HB2 PRO 42 HB2 PRO 42 5.141 -10.795 17.551 336 HB3 PRO 42 HB1 PRO 42 3.501 -11.011 16.927 337 HG2 PRO 42 HG2 PRO 42 6.041 -12.361 16.079 338 HG3 PRO 42 HG1 PRO 42 4.434 -13.064 16.344 339 HD2 PRO 42 HD2 PRO 42 5.395 -12.457 13.871 340 HD3 PRO 42 HD1 PRO 42 3.667 -12.403 14.271 341 H ILE 43 HN ILE 43 5.332 -7.529 16.531 342 HA ILE 43 HA ILE 43 7.979 -7.152 15.724 343 HB ILE 43 HB ILE 43 6.536 -5.971 18.113 344 HG12 ILE 43 HG12 ILE 43 6.947 -4.847 15.322 345 HG13 ILE 43 HG11 ILE 43 5.452 -5.569 15.908 346 HG21 ILE 43 HG21 ILE 43 8.194 -4.159 18.016 347 HG22 ILE 43 HG22 ILE 43 9.066 -5.029 16.754 348 HG23 ILE 43 HG23 ILE 43 8.945 -5.714 18.375 349 HD11 ILE 43 HD11 ILE 43 5.277 -3.801 17.598 350 HD12 ILE 43 HD12 ILE 43 5.313 -3.159 15.956 351 HD13 ILE 43 HD13 ILE 43 6.754 -3.070 16.969 352 H THR 44 HN THR 44 9.951 -7.699 16.579 353 HA THR 44 HA THR 44 10.018 -9.649 18.742 354 HB THR 44 HB THR 44 12.368 -8.500 17.201 355 HG1 THR 44 HG1 THR 44 12.083 -10.183 15.755 356 HG21 THR 44 HG21 THR 44 12.039 -11.110 18.701 357 HG22 THR 44 HG22 THR 44 12.973 -9.717 19.250 358 HG23 THR 44 HG23 THR 44 13.473 -10.601 17.809 359 H LYS 45 HN LYS 45 11.506 -9.394 20.604 360 HA LYS 45 HA LYS 45 11.094 -6.843 21.802 361 HB2 LYS 45 HB2 LYS 45 12.661 -7.991 23.649 362 HB3 LYS 45 HB1 LYS 45 10.948 -8.324 23.485 363 HG2 LYS 45 HG2 LYS 45 12.080 -10.388 23.795 364 HG3 LYS 45 HG1 LYS 45 11.521 -10.326 22.125 365 HD2 LYS 45 HD2 LYS 45 13.751 -9.763 21.363 366 HD3 LYS 45 HD1 LYS 45 14.333 -9.680 23.028 367 HE2 LYS 45 HE2 LYS 45 13.856 -12.062 23.320 368 HE3 LYS 45 HE1 LYS 45 13.242 -12.151 21.669 369 HZ1 LYS 45 HZ1 LYS 45 15.397 -11.664 20.820 370 HZ2 LYS 45 HZ2 LYS 45 15.565 -12.929 21.930 371 HZ3 LYS 45 HZ3 LYS 45 16.015 -11.357 22.360 372 H GLU 46 HN GLU 46 13.921 -8.227 20.201 373 HA GLU 46 HA GLU 46 15.835 -6.331 20.972 374 HB2 GLU 46 HB2 GLU 46 15.375 -7.845 18.415 375 HB3 GLU 46 HB1 GLU 46 16.596 -6.585 18.456 376 HG2 GLU 46 HG2 GLU 46 17.650 -8.692 18.820 377 HG3 GLU 46 HG1 GLU 46 17.713 -7.768 20.317 378 H ALA 47 HN ALA 47 13.405 -6.146 18.400 379 HA ALA 47 HA ALA 47 14.035 -3.544 17.492 380 HB1 ALA 47 HB1 ALA 47 11.935 -3.654 16.280 381 HB2 ALA 47 HB2 ALA 47 11.416 -5.028 17.257 382 HB3 ALA 47 HB3 ALA 47 12.786 -5.194 16.160 383 H LEU 48 HN LEU 48 12.003 -4.697 20.094 384 HA LEU 48 HA LEU 48 10.151 -2.623 20.280 385 HB2 LEU 48 HB2 LEU 48 10.106 -4.836 21.470 386 HB3 LEU 48 HB1 LEU 48 11.311 -4.207 22.577 387 HG LEU 48 HG LEU 48 9.613 -2.362 23.128 388 HD11 LEU 48 HD11 LEU 48 7.268 -2.909 22.732 389 HD12 LEU 48 HD12 LEU 48 7.750 -4.317 21.784 390 HD13 LEU 48 HD13 LEU 48 8.144 -2.694 21.216 391 HD21 LEU 48 HD21 LEU 48 10.154 -4.156 24.680 392 HD22 LEU 48 HD22 LEU 48 8.998 -5.222 23.880 393 HD23 LEU 48 HD23 LEU 48 8.430 -3.789 24.736 394 H GLU 49 HN GLU 49 13.262 -2.953 22.022 395 HA GLU 49 HA GLU 49 13.082 -0.352 23.208 396 HB2 GLU 49 HB2 GLU 49 15.247 -2.422 23.037 397 HB3 GLU 49 HB1 GLU 49 15.606 -0.814 23.655 398 HG2 GLU 49 HG2 GLU 49 13.503 -2.677 24.756 399 HG3 GLU 49 HG1 GLU 49 15.108 -2.424 25.442 400 H GLU 50 HN GLU 50 14.786 -1.626 20.371 401 HA GLU 50 HA GLU 50 16.542 0.515 19.975 402 HB2 GLU 50 HB2 GLU 50 16.777 -1.683 18.903 403 HB3 GLU 50 HB1 GLU 50 15.372 -1.349 17.901 404 HG2 GLU 50 HG2 GLU 50 16.538 0.464 16.799 405 HG3 GLU 50 HG1 GLU 50 17.926 0.256 17.867 406 H THR 51 HN THR 51 13.440 -0.078 18.274 407 HA THR 51 HA THR 51 13.459 2.713 17.359 408 HB THR 51 HB THR 51 11.270 1.864 16.155 409 HG1 THR 51 HG1 THR 51 12.532 -0.594 15.983 410 HG21 THR 51 HG21 THR 51 12.613 1.158 14.231 411 HG22 THR 51 HG22 THR 51 14.030 0.998 15.270 412 HG23 THR 51 HG23 THR 51 13.307 2.585 14.999 413 H ARG 52 HN ARG 52 12.639 1.407 20.119 414 HA ARG 52 HA ARG 52 11.275 1.969 21.847 415 HB2 ARG 52 HB2 ARG 52 10.726 4.428 20.168 416 HB3 ARG 52 HB1 ARG 52 10.346 4.255 21.875 417 HG2 ARG 52 HG2 ARG 52 13.062 3.646 21.709 418 HG3 ARG 52 HG1 ARG 52 12.843 4.998 20.601 419 HD2 ARG 52 HD2 ARG 52 13.387 5.824 22.812 420 HD3 ARG 52 HD1 ARG 52 11.727 6.266 22.401 421 HE ARG 52 HE ARG 52 12.276 3.893 24.052 422 HH11 ARG 52 HH11 ARG 52 10.821 6.999 23.702 423 HH12 ARG 52 HH12 ARG 52 9.904 6.834 25.157 424 HH21 ARG 52 HH21 ARG 52 11.102 3.713 25.893 425 HH22 ARG 52 HH22 ARG 52 10.060 5.008 26.381 426 H LEU 53 HN LEU 53 10.168 0.262 19.902 427 HA LEU 53 HA LEU 53 7.528 1.038 19.168 428 HB2 LEU 53 HB2 LEU 53 8.808 -1.695 19.340 429 HB3 LEU 53 HB1 LEU 53 7.244 -1.371 18.608 430 HG LEU 53 HG LEU 53 9.870 -0.197 17.656 431 HD11 LEU 53 HD11 LEU 53 9.755 -2.615 17.262 432 HD12 LEU 53 HD12 LEU 53 9.687 -1.696 15.759 433 HD13 LEU 53 HD13 LEU 53 8.215 -2.401 16.428 434 HD21 LEU 53 HD21 LEU 53 8.549 0.502 15.691 435 HD22 LEU 53 HD22 LEU 53 7.996 1.268 17.179 436 HD23 LEU 53 HD23 LEU 53 7.085 -0.075 16.489 437 H GLY 54 HN GLY 54 8.771 0.223 22.181 438 HA2 GLY 54 HA2 GLY 54 6.610 -1.114 23.403 439 HA3 GLY 54 HA1 GLY 54 7.749 -0.062 24.225 440 H LYS 55 HN LYS 55 7.111 2.283 22.657 441 HA LYS 55 HA LYS 55 5.012 3.439 24.095 442 HB2 LYS 55 HB2 LYS 55 6.819 4.639 22.825 443 HB3 LYS 55 HB1 LYS 55 5.978 4.236 21.336 444 HG2 LYS 55 HG2 LYS 55 4.090 5.586 21.962 445 HG3 LYS 55 HG1 LYS 55 4.771 5.870 23.565 446 HD2 LYS 55 HD2 LYS 55 6.713 7.007 22.453 447 HD3 LYS 55 HD1 LYS 55 5.857 6.848 20.918 448 HE2 LYS 55 HE2 LYS 55 4.040 8.220 21.742 449 HE3 LYS 55 HE1 LYS 55 4.770 8.283 23.345 450 HZ1 LYS 55 HZ1 LYS 55 6.696 9.421 22.304 451 HZ2 LYS 55 HZ2 LYS 55 5.255 10.304 22.222 452 HZ3 LYS 55 HZ3 LYS 55 5.827 9.496 20.853 453 H LEU 56 HN LEU 56 5.014 1.680 21.063 454 HA LEU 56 HA LEU 56 2.458 2.214 20.087 455 HB2 LEU 56 HB2 LEU 56 4.322 0.995 18.929 456 HB3 LEU 56 HB1 LEU 56 3.948 -0.414 19.896 457 HG LEU 56 HG LEU 56 1.833 0.804 18.129 458 HD11 LEU 56 HD11 LEU 56 3.794 0.487 16.698 459 HD12 LEU 56 HD12 LEU 56 2.528 -0.677 16.311 460 HD13 LEU 56 HD13 LEU 56 3.934 -1.184 17.248 461 HD21 LEU 56 HD21 LEU 56 2.350 -2.034 19.048 462 HD22 LEU 56 HD22 LEU 56 0.983 -1.488 18.075 463 HD23 LEU 56 HD23 LEU 56 1.158 -0.932 19.738 464 H ILE 57 HN ILE 57 3.440 0.095 22.717 465 HA ILE 57 HA ILE 57 1.271 -1.655 22.859 466 HB ILE 57 HB ILE 57 2.893 -0.491 25.140 467 HG12 ILE 57 HG12 ILE 57 3.232 -3.079 23.602 468 HG13 ILE 57 HG11 ILE 57 4.249 -1.653 23.438 469 HG21 ILE 57 HG21 ILE 57 0.818 -1.464 25.970 470 HG22 ILE 57 HG22 ILE 57 2.200 -2.456 26.432 471 HG23 ILE 57 HG23 ILE 57 1.157 -2.962 25.103 472 HD11 ILE 57 HD11 ILE 57 4.964 -1.909 25.763 473 HD12 ILE 57 HD12 ILE 57 5.326 -3.340 24.798 474 HD13 ILE 57 HD13 ILE 57 3.956 -3.349 25.909 475 H ASN 58 HN ASN 58 1.671 1.522 24.432 476 HA ASN 58 HA ASN 58 -0.834 1.688 25.676 477 HB2 ASN 58 HB2 ASN 58 0.817 3.297 26.265 478 HB3 ASN 58 HB1 ASN 58 1.048 3.786 24.592 479 HD21 ASN 58 HD21 ASN 58 -0.429 5.173 23.639 480 HD22 ASN 58 HD22 ASN 58 -1.557 6.094 24.564 481 H ASP 59 HN ASP 59 0.148 2.547 22.377 482 HA ASP 59 HA ASP 59 -2.236 3.983 21.790 483 HB2 ASP 59 HB2 ASP 59 0.011 4.327 20.714 484 HB3 ASP 59 HB1 ASP 59 -0.254 2.832 19.820 485 H VAL 60 HN VAL 60 -1.130 0.694 20.886 486 HA VAL 60 HA VAL 60 -3.396 0.074 19.303 487 HB VAL 60 HB VAL 60 -1.279 -1.170 19.116 488 HG11 VAL 60 HG11 VAL 60 -0.658 -2.877 20.758 489 HG12 VAL 60 HG12 VAL 60 -2.002 -2.384 21.789 490 HG13 VAL 60 HG13 VAL 60 -0.670 -1.270 21.484 491 HG21 VAL 60 HG21 VAL 60 -2.238 -3.432 18.916 492 HG22 VAL 60 HG22 VAL 60 -3.313 -2.197 18.262 493 HG23 VAL 60 HG23 VAL 60 -3.646 -2.907 19.841 494 H ARG 61 HN ARG 61 -2.680 -0.386 22.722 495 HA ARG 61 HA ARG 61 -4.875 -1.975 23.447 496 HB2 ARG 61 HB2 ARG 61 -2.932 -1.566 24.891 497 HB3 ARG 61 HB1 ARG 61 -3.389 0.123 25.051 498 HG2 ARG 61 HG2 ARG 61 -5.388 -0.493 26.272 499 HG3 ARG 61 HG1 ARG 61 -5.046 -2.208 26.019 500 HD2 ARG 61 HD2 ARG 61 -2.988 -2.007 27.316 501 HD3 ARG 61 HD1 ARG 61 -3.273 -0.279 27.527 502 HE ARG 61 HE ARG 61 -5.455 -1.192 28.643 503 HH11 ARG 61 HH11 ARG 61 -2.274 -2.491 28.920 504 HH12 ARG 61 HH12 ARG 61 -2.560 -3.116 30.505 505 HH21 ARG 61 HH21 ARG 61 -5.795 -1.976 30.678 506 HH22 ARG 61 HH22 ARG 61 -4.516 -2.803 31.503 507 H LYS 62 HN LYS 62 -4.565 1.529 23.087 508 HA LYS 62 HA LYS 62 -7.301 2.006 23.965 509 HB2 LYS 62 HB2 LYS 62 -5.164 3.882 22.928 510 HB3 LYS 62 HB1 LYS 62 -6.750 4.398 23.489 511 HG2 LYS 62 HG2 LYS 62 -6.266 3.580 25.722 512 HG3 LYS 62 HG1 LYS 62 -4.712 2.946 25.177 513 HD2 LYS 62 HD2 LYS 62 -3.947 5.206 24.665 514 HD3 LYS 62 HD1 LYS 62 -5.513 5.862 25.150 515 HE2 LYS 62 HE2 LYS 62 -5.155 5.110 27.430 516 HE3 LYS 62 HE1 LYS 62 -3.643 4.331 26.964 517 HZ1 LYS 62 HZ1 LYS 62 -2.752 6.508 26.391 518 HZ2 LYS 62 HZ2 LYS 62 -3.232 6.451 28.009 519 HZ3 LYS 62 HZ3 LYS 62 -4.196 7.245 26.870 520 H LYS 63 HN LYS 63 -5.530 1.855 20.916 521 HA LYS 63 HA LYS 63 -7.793 2.950 19.424 522 HB2 LYS 63 HB2 LYS 63 -4.919 2.670 18.932 523 HB3 LYS 63 HB1 LYS 63 -5.890 2.215 17.541 524 HG2 LYS 63 HG2 LYS 63 -6.099 4.357 17.012 525 HG3 LYS 63 HG1 LYS 63 -6.987 4.631 18.509 526 HD2 LYS 63 HD2 LYS 63 -3.974 4.693 18.305 527 HD3 LYS 63 HD1 LYS 63 -4.996 6.122 18.154 528 HE2 LYS 63 HE2 LYS 63 -4.998 4.302 20.565 529 HE3 LYS 63 HE1 LYS 63 -4.015 5.761 20.436 530 HZ1 LYS 63 HZ1 LYS 63 -6.047 7.043 20.141 531 HZ2 LYS 63 HZ2 LYS 63 -6.052 6.216 21.612 532 HZ3 LYS 63 HZ3 LYS 63 -6.978 5.643 20.320 533 H THR 64 HN THR 64 -7.382 0.023 20.630 534 HA THR 64 HA THR 64 -7.664 -1.726 18.437 535 HB THR 64 HB THR 64 -7.184 -2.662 20.614 536 HG1 THR 64 HG1 THR 64 -9.488 -3.934 20.627 537 HG21 THR 64 HG21 THR 64 -9.920 -1.681 21.455 538 HG22 THR 64 HG22 THR 64 -8.372 -1.053 22.023 539 HG23 THR 64 HG23 THR 64 -8.852 -2.701 22.419 540 H LYS 65 HN LYS 65 -9.443 -2.437 17.272 541 HA LYS 65 HA LYS 65 -11.557 -0.629 16.899 542 HB2 LYS 65 HB2 LYS 65 -10.699 -2.300 15.222 543 HB3 LYS 65 HB1 LYS 65 -11.554 -3.552 16.112 544 HG2 LYS 65 HG2 LYS 65 -12.872 -2.895 14.214 545 HG3 LYS 65 HG1 LYS 65 -13.681 -2.351 15.685 546 HD2 LYS 65 HD2 LYS 65 -12.811 -0.089 15.344 547 HD3 LYS 65 HD1 LYS 65 -11.954 -0.623 13.896 548 HE2 LYS 65 HE2 LYS 65 -14.122 -1.214 12.866 549 HE3 LYS 65 HE1 LYS 65 -14.949 -0.606 14.300 550 HZ1 LYS 65 HZ1 LYS 65 -13.220 1.014 12.504 551 HZ2 LYS 65 HZ2 LYS 65 -14.063 1.587 13.855 552 HZ3 LYS 65 HZ3 LYS 65 -14.911 1.020 12.511 553 H ASN 66 HN ASN 66 -11.495 -3.744 18.600 554 HA ASN 66 HA ASN 66 -13.928 -2.930 20.073 555 HB2 ASN 66 HB2 ASN 66 -14.336 -4.836 18.480 556 HB3 ASN 66 HB1 ASN 66 -13.150 -5.781 19.372 557 HD21 ASN 66 HD21 ASN 66 -15.894 -6.446 18.977 558 HD22 ASN 66 HD22 ASN 66 -16.642 -6.502 20.539 559 H GLU 67 HN GLU 67 -13.736 -2.970 22.300 560 HA GLU 67 HA GLU 67 -11.199 -3.312 23.499 561 HB2 GLU 67 HB2 GLU 67 -13.943 -3.148 24.760 562 HB3 GLU 67 HB1 GLU 67 -12.435 -3.118 25.668 563 HG2 GLU 67 HG2 GLU 67 -11.764 -1.111 24.315 564 HG3 GLU 67 HG1 GLU 67 -13.398 -1.093 23.656 565 H GLU 68 HN GLU 68 -13.872 -5.539 23.066 566 HA GLU 68 HA GLU 68 -12.960 -7.664 24.677 567 HB2 GLU 68 HB2 GLU 68 -14.410 -7.819 22.019 568 HB3 GLU 68 HB1 GLU 68 -14.280 -9.119 23.196 569 HG2 GLU 68 HG2 GLU 68 -15.576 -7.827 24.798 570 HG3 GLU 68 HG1 GLU 68 -15.673 -6.486 23.655 571 H LEU 69 HN LEU 69 -12.063 -6.580 21.469 572 HA LEU 69 HA LEU 69 -10.399 -8.772 20.759 573 HB2 LEU 69 HB2 LEU 69 -11.432 -7.045 19.214 574 HB3 LEU 69 HB1 LEU 69 -10.207 -5.922 19.759 575 HG LEU 69 HG LEU 69 -9.463 -8.545 18.460 576 HD11 LEU 69 HD11 LEU 69 -10.963 -7.379 16.923 577 HD12 LEU 69 HD12 LEU 69 -9.304 -7.363 16.325 578 HD13 LEU 69 HD13 LEU 69 -9.987 -5.915 17.066 579 HD21 LEU 69 HD21 LEU 69 -7.408 -7.315 17.871 580 HD22 LEU 69 HD22 LEU 69 -7.655 -7.392 19.614 581 HD23 LEU 69 HD23 LEU 69 -8.013 -5.903 18.738 582 H ALA 70 HN ALA 70 -9.864 -5.744 22.494 583 HA ALA 70 HA ALA 70 -7.078 -5.657 22.563 584 HB1 ALA 70 HB1 ALA 70 -8.998 -4.840 24.747 585 HB2 ALA 70 HB2 ALA 70 -8.486 -3.840 23.388 586 HB3 ALA 70 HB3 ALA 70 -7.314 -4.332 24.610 587 H LYS 71 HN LYS 71 -9.315 -7.543 24.547 588 HA LYS 71 HA LYS 71 -7.515 -8.628 26.397 589 HB2 LYS 71 HB2 LYS 71 -9.864 -10.069 25.137 590 HB3 LYS 71 HB1 LYS 71 -9.128 -10.416 26.698 591 HG2 LYS 71 HG2 LYS 71 -9.900 -8.278 27.566 592 HG3 LYS 71 HG1 LYS 71 -10.580 -7.865 25.990 593 HD2 LYS 71 HD2 LYS 71 -12.068 -9.856 26.170 594 HD3 LYS 71 HD1 LYS 71 -11.444 -10.130 27.798 595 HE2 LYS 71 HE2 LYS 71 -12.274 -7.908 28.469 596 HE3 LYS 71 HE1 LYS 71 -12.924 -7.671 26.846 597 HZ1 LYS 71 HZ1 LYS 71 -14.349 -9.610 27.199 598 HZ2 LYS 71 HZ2 LYS 71 -14.645 -8.408 28.350 599 HZ3 LYS 71 HZ3 LYS 71 -13.750 -9.777 28.772 600 H ARG 72 HN ARG 72 -8.384 -9.692 23.137 601 HA ARG 72 HA ARG 72 -6.623 -11.932 23.050 602 HB2 ARG 72 HB2 ARG 72 -8.489 -11.957 21.582 603 HB3 ARG 72 HB1 ARG 72 -8.133 -10.355 20.964 604 HG2 ARG 72 HG2 ARG 72 -6.155 -12.538 20.474 605 HG3 ARG 72 HG1 ARG 72 -7.654 -12.523 19.544 606 HD2 ARG 72 HD2 ARG 72 -7.168 -10.217 18.826 607 HD3 ARG 72 HD1 ARG 72 -5.656 -10.260 19.730 608 HE ARG 72 HE ARG 72 -5.698 -12.415 17.932 609 HH11 ARG 72 HH11 ARG 72 -5.483 -8.974 17.908 610 HH12 ARG 72 HH12 ARG 72 -4.600 -8.933 16.421 611 HH21 ARG 72 HH21 ARG 72 -4.586 -12.339 16.022 612 HH22 ARG 72 HH22 ARG 72 -4.117 -10.804 15.364 613 H ALA 73 HN ALA 73 -6.330 -8.536 22.124 614 HA ALA 73 HA ALA 73 -3.886 -8.670 20.738 615 HB1 ALA 73 HB1 ALA 73 -3.725 -6.269 21.126 616 HB2 ALA 73 HB2 ALA 73 -4.986 -6.367 22.357 617 HB3 ALA 73 HB3 ALA 73 -5.370 -6.720 20.672 618 H LYS 74 HN LYS 74 -4.615 -8.500 24.162 619 HA LYS 74 HA LYS 74 -2.174 -7.828 25.272 620 HB2 LYS 74 HB2 LYS 74 -4.179 -8.090 26.606 621 HB3 LYS 74 HB1 LYS 74 -4.254 -9.806 26.235 622 HG2 LYS 74 HG2 LYS 74 -2.108 -10.107 27.466 623 HG3 LYS 74 HG1 LYS 74 -2.183 -8.402 27.921 624 HD2 LYS 74 HD2 LYS 74 -4.265 -8.768 29.107 625 HD3 LYS 74 HD1 LYS 74 -4.323 -10.445 28.562 626 HE2 LYS 74 HE2 LYS 74 -2.197 -10.856 29.798 627 HE3 LYS 74 HE1 LYS 74 -2.290 -9.208 30.422 628 HZ1 LYS 74 HZ1 LYS 74 -4.343 -9.735 31.518 629 HZ2 LYS 74 HZ2 LYS 74 -3.181 -10.879 31.970 630 HZ3 LYS 74 HZ3 LYS 74 -4.372 -11.283 30.840 631 H LYS 75 HN LYS 75 -3.227 -10.969 24.022 632 HA LYS 75 HA LYS 75 -1.077 -12.531 24.931 633 HB2 LYS 75 HB2 LYS 75 -2.863 -12.834 22.509 634 HB3 LYS 75 HB1 LYS 75 -1.651 -14.027 22.951 635 HG2 LYS 75 HG2 LYS 75 -3.761 -14.785 23.767 636 HG3 LYS 75 HG1 LYS 75 -2.794 -14.288 25.155 637 HD2 LYS 75 HD2 LYS 75 -4.009 -12.169 25.255 638 HD3 LYS 75 HD1 LYS 75 -4.945 -12.625 23.832 639 HE2 LYS 75 HE2 LYS 75 -6.266 -13.001 25.818 640 HE3 LYS 75 HE1 LYS 75 -5.855 -14.550 25.088 641 HZ1 LYS 75 HZ1 LYS 75 -4.093 -14.808 26.725 642 HZ2 LYS 75 HZ2 LYS 75 -5.594 -14.605 27.478 643 HZ3 LYS 75 HZ3 LYS 75 -4.498 -13.323 27.426 644 H LEU 76 HN LEU 76 -1.399 -10.517 22.034 645 HA LEU 76 HA LEU 76 1.106 -11.228 20.879 646 HB2 LEU 76 HB2 LEU 76 -0.632 -8.779 20.526 647 HB3 LEU 76 HB1 LEU 76 0.843 -9.043 19.620 648 HG LEU 76 HG LEU 76 -1.007 -9.646 18.228 649 HD11 LEU 76 HD11 LEU 76 -0.505 -11.965 17.699 650 HD12 LEU 76 HD12 LEU 76 0.308 -12.158 19.252 651 HD13 LEU 76 HD13 LEU 76 0.968 -11.058 18.040 652 HD21 LEU 76 HD21 LEU 76 -2.638 -11.366 18.825 653 HD22 LEU 76 HD22 LEU 76 -2.694 -10.010 19.949 654 HD23 LEU 76 HD23 LEU 76 -1.906 -11.514 20.424 655 H LEU 77 HN LEU 77 0.078 -8.529 22.943 656 HA LEU 77 HA LEU 77 2.503 -7.163 23.155 657 HB2 LEU 77 HB2 LEU 77 0.124 -7.415 24.975 658 HB3 LEU 77 HB1 LEU 77 1.533 -6.510 25.489 659 HG LEU 77 HG LEU 77 1.266 -4.918 23.702 660 HD11 LEU 77 HD11 LEU 77 -0.529 -5.028 22.067 661 HD12 LEU 77 HD12 LEU 77 -1.045 -6.585 22.715 662 HD13 LEU 77 HD13 LEU 77 0.528 -6.434 21.933 663 HD21 LEU 77 HD21 LEU 77 -1.371 -5.495 25.055 664 HD22 LEU 77 HD22 LEU 77 -0.948 -3.984 24.248 665 HD23 LEU 77 HD23 LEU 77 -0.058 -4.497 25.680 666 H ARG 78 HN ARG 78 1.408 -10.060 24.814 667 HA ARG 78 HA ARG 78 3.203 -10.238 26.922 668 HB2 ARG 78 HB2 ARG 78 2.007 -12.377 25.160 669 HB3 ARG 78 HB1 ARG 78 3.001 -12.765 26.555 670 HG2 ARG 78 HG2 ARG 78 0.501 -11.097 26.731 671 HG3 ARG 78 HG1 ARG 78 0.514 -12.850 26.907 672 HD2 ARG 78 HD2 ARG 78 2.367 -12.362 28.699 673 HD3 ARG 78 HD1 ARG 78 1.646 -10.751 28.714 674 HE ARG 78 HE ARG 78 -0.425 -12.599 28.959 675 HH11 ARG 78 HH11 ARG 78 2.315 -11.555 30.767 676 HH12 ARG 78 HH12 ARG 78 1.613 -11.993 32.288 677 HH21 ARG 78 HH21 ARG 78 -1.300 -13.177 30.920 678 HH22 ARG 78 HH22 ARG 78 -0.390 -12.911 32.368 679 H SER 79 HN SER 79 3.722 -11.061 23.513 680 HA SER 79 HA SER 79 6.186 -12.368 23.704 681 HB2 SER 79 HB2 SER 79 5.200 -10.557 21.476 682 HB3 SER 79 HB1 SER 79 6.543 -11.693 21.345 683 HG SER 79 HG SER 79 3.822 -12.148 21.301 684 H TRP 80 HN TRP 80 5.420 -8.945 23.700 685 HA TRP 80 HA TRP 80 8.194 -8.103 23.607 686 HB2 TRP 80 HB2 TRP 80 5.743 -6.441 24.245 687 HB3 TRP 80 HB1 TRP 80 7.317 -5.853 23.719 688 HD1 TRP 80 HD1 TRP 80 7.326 -8.334 21.381 689 HE1 TRP 80 HE1 TRP 80 6.051 -7.811 19.216 690 HE3 TRP 80 HE3 TRP 80 4.434 -4.477 23.060 691 HZ2 TRP 80 HZ2 TRP 80 4.078 -5.989 18.325 692 HZ3 TRP 80 HZ3 TRP 80 2.887 -3.387 21.493 693 HH2 TRP 80 HH2 TRP 80 2.710 -4.130 19.171 694 H GLN 81 HN GLN 81 5.589 -8.294 25.997 695 HA GLN 81 HA GLN 81 6.986 -7.117 28.158 696 HB2 GLN 81 HB2 GLN 81 4.716 -9.122 28.244 697 HB3 GLN 81 HB1 GLN 81 5.231 -8.094 29.575 698 HG2 GLN 81 HG2 GLN 81 4.126 -7.099 26.950 699 HG3 GLN 81 HG1 GLN 81 3.203 -7.272 28.439 700 HE21 GLN 81 HE21 GLN 81 5.702 -5.465 26.818 701 HE22 GLN 81 HE22 GLN 81 5.718 -4.128 27.912 702 H LYS 82 HN LYS 82 7.165 -10.276 26.749 703 HA LYS 82 HA LYS 82 8.132 -11.788 28.901 704 HB2 LYS 82 HB2 LYS 82 7.474 -12.717 26.691 705 HB3 LYS 82 HB1 LYS 82 8.922 -12.012 25.985 706 HG2 LYS 82 HG2 LYS 82 9.946 -13.487 28.067 707 HG3 LYS 82 HG1 LYS 82 8.584 -14.472 27.541 708 HD2 LYS 82 HD2 LYS 82 10.512 -15.200 26.333 709 HD3 LYS 82 HD1 LYS 82 9.489 -14.313 25.200 710 HE2 LYS 82 HE2 LYS 82 11.860 -13.719 24.950 711 HE3 LYS 82 HE1 LYS 82 10.894 -12.335 25.461 712 HZ1 LYS 82 HZ1 LYS 82 12.554 -14.032 27.245 713 HZ2 LYS 82 HZ2 LYS 82 11.643 -12.696 27.731 714 HZ3 LYS 82 HZ3 LYS 82 12.965 -12.488 26.699 715 H LEU 83 HN LEU 83 9.647 -9.209 27.182 716 HA LEU 83 HA LEU 83 12.371 -9.979 27.648 717 HB2 LEU 83 HB2 LEU 83 11.680 -8.450 25.831 718 HB3 LEU 83 HB1 LEU 83 11.203 -7.260 27.026 719 HG LEU 83 HG LEU 83 13.576 -7.118 27.781 720 HD11 LEU 83 HD11 LEU 83 15.337 -8.076 26.380 721 HD12 LEU 83 HD12 LEU 83 14.120 -8.889 25.394 722 HD13 LEU 83 HD13 LEU 83 14.325 -9.333 27.090 723 HD21 LEU 83 HD21 LEU 83 12.695 -5.496 26.190 724 HD22 LEU 83 HD22 LEU 83 13.110 -6.560 24.846 725 HD23 LEU 83 HD23 LEU 83 14.385 -5.853 25.839 726 H ILE 84 HN ILE 84 10.074 -7.846 29.322 727 HA ILE 84 HA ILE 84 12.048 -7.494 31.482 728 HB ILE 84 HB ILE 84 10.378 -5.623 32.219 729 HG12 ILE 84 HG12 ILE 84 9.360 -4.490 30.191 730 HG13 ILE 84 HG11 ILE 84 9.668 -5.968 29.288 731 HG21 ILE 84 HG21 ILE 84 11.616 -4.000 30.850 732 HG22 ILE 84 HG22 ILE 84 12.198 -5.315 29.829 733 HG23 ILE 84 HG23 ILE 84 12.673 -5.239 31.526 734 HD11 ILE 84 HD11 ILE 84 7.880 -5.698 31.693 735 HD12 ILE 84 HD12 ILE 84 8.188 -7.187 30.799 736 HD13 ILE 84 HD13 ILE 84 7.365 -5.841 30.013 737 H GLU 85 HN GLU 85 9.451 -9.412 30.819 738 HA GLU 85 HA GLU 85 8.929 -9.828 33.689 739 HB2 GLU 85 HB2 GLU 85 6.876 -9.649 31.479 740 HB3 GLU 85 HB1 GLU 85 6.532 -10.435 33.013 741 HG2 GLU 85 HG2 GLU 85 6.976 -8.355 34.200 742 HG3 GLU 85 HG1 GLU 85 7.377 -7.562 32.680 743 HA PRO 86 HA PRO 86 9.818 -14.054 32.837 744 HB2 PRO 86 HB2 PRO 86 8.639 -15.319 34.888 745 HB3 PRO 86 HB1 PRO 86 9.970 -14.182 35.147 746 HG2 PRO 86 HG2 PRO 86 7.016 -13.736 35.443 747 HG3 PRO 86 HG1 PRO 86 8.331 -13.254 36.532 748 HD2 PRO 86 HD2 PRO 86 7.169 -11.555 34.724 749 HD3 PRO 86 HD1 PRO 86 8.846 -11.388 35.282 750 H ALA 87 HN ALA 87 7.025 -12.958 31.785 751 HA ALA 87 HA ALA 87 5.359 -15.293 31.711 752 HB1 ALA 87 HB1 ALA 87 4.423 -13.033 31.518 753 HB2 ALA 87 HB2 ALA 87 3.998 -14.029 30.127 754 HB3 ALA 87 HB3 ALA 87 5.267 -12.812 29.985 755 H HIS 88 HN HIS 88 5.665 -17.052 30.457 756 HA HIS 88 HA HIS 88 7.078 -16.763 27.874 757 HB2 HIS 88 HB2 HIS 88 7.510 -19.032 29.829 758 HB3 HIS 88 HB1 HIS 88 8.335 -18.800 28.295 759 HD1 HIS 88 HD1 HIS 88 8.772 -18.294 31.804 760 HD2 HIS 88 HD2 HIS 88 9.954 -16.263 28.376 761 HE1 HIS 88 HE1 HIS 88 10.706 -16.861 32.505 762 HE2 HIS 88 HE2 HIS 88 11.506 -15.771 30.387 763 H GLN 89 HN GLN 89 7.016 -19.288 26.954 764 HA GLN 89 HA GLN 89 5.706 -20.725 25.784 765 HB2 GLN 89 HB2 GLN 89 4.426 -22.271 27.307 766 HB3 GLN 89 HB1 GLN 89 6.119 -22.032 27.700 767 HG2 GLN 89 HG2 GLN 89 5.462 -20.449 29.475 768 HG3 GLN 89 HG1 GLN 89 3.767 -20.759 29.098 769 HE21 GLN 89 HE21 GLN 89 5.260 -21.221 31.580 770 HE22 GLN 89 HE22 GLN 89 5.071 -22.905 31.925 771 H HIS 90 HN HIS 90 2.877 -21.236 27.414 772 HA HIS 90 HA HIS 90 1.438 -19.413 25.585 773 HB2 HIS 90 HB2 HIS 90 0.727 -22.221 26.461 774 HB3 HIS 90 HB1 HIS 90 -0.338 -21.178 25.522 775 HD1 HIS 90 HD1 HIS 90 0.062 -21.051 23.027 776 HD2 HIS 90 HD2 HIS 90 3.097 -23.051 25.044 777 HE1 HIS 90 HE1 HIS 90 1.501 -22.069 21.244 778 HE2 HIS 90 HE2 HIS 90 3.390 -23.169 22.478 779 H GLU 91 HN GLU 91 2.151 -18.998 28.502 780 HA GLU 91 HA GLU 91 -0.402 -19.014 29.866 781 HB2 GLU 91 HB2 GLU 91 0.769 -17.935 31.697 782 HB3 GLU 91 HB1 GLU 91 1.733 -19.276 31.093 783 HG2 GLU 91 HG2 GLU 91 3.100 -17.657 29.803 784 HG3 GLU 91 HG1 GLU 91 2.178 -16.345 30.533 785 H ALA 92 HN ALA 92 0.671 -17.223 27.400 786 HA ALA 92 HA ALA 92 0.480 -14.545 27.913 787 HB1 ALA 92 HB1 ALA 92 1.152 -15.520 25.770 788 HB2 ALA 92 HB2 ALA 92 -0.055 -14.251 25.561 789 HB3 ALA 92 HB3 ALA 92 -0.526 -15.947 25.438 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -0.391 1.408 1.778 2 H2 MET 1 HT2 MET 1 -0.680 1.176 3.427 3 H3 MET 1 HT3 MET 1 -1.920 1.729 2.428 4 HA MET 1 HA MET 1 -2.273 -0.570 2.922 5 HB2 MET 1 HB2 MET 1 -1.334 -0.097 0.085 6 HB3 MET 1 HB1 MET 1 -2.283 -1.487 0.595 7 HG2 MET 1 HG2 MET 1 -4.071 0.075 1.333 8 HG3 MET 1 HG1 MET 1 -3.130 1.403 0.655 9 HE1 MET 1 HE1 MET 1 -4.901 -2.050 -1.857 10 HE2 MET 1 HE2 MET 1 -5.154 -1.881 -0.120 11 HE3 MET 1 HE3 MET 1 -3.549 -2.262 -0.744 12 H THR 2 HN THR 2 -1.415 -2.788 1.624 13 HA THR 2 HA THR 2 0.877 -3.533 3.159 14 HB THR 2 HB THR 2 -0.465 -5.122 0.953 15 HG1 THR 2 HG1 THR 2 -1.866 -5.845 2.462 16 HG21 THR 2 HG21 THR 2 1.730 -6.006 1.588 17 HG22 THR 2 HG22 THR 2 0.443 -7.078 2.149 18 HG23 THR 2 HG23 THR 2 1.255 -5.999 3.288 19 H ALA 3 HN ALA 3 2.780 -2.625 2.552 20 HA ALA 3 HA ALA 3 3.652 -2.719 -0.245 21 HB1 ALA 3 HB1 ALA 3 5.018 -1.538 2.182 22 HB2 ALA 3 HB2 ALA 3 4.005 -0.653 1.042 23 HB3 ALA 3 HB3 ALA 3 5.530 -1.353 0.503 24 H ALA 4 HN ALA 4 3.360 -5.148 1.484 25 HA ALA 4 HA ALA 4 4.404 -7.061 2.100 26 HB1 ALA 4 HB1 ALA 4 5.174 -7.071 -0.226 27 HB2 ALA 4 HB2 ALA 4 6.377 -7.775 0.855 28 HB3 ALA 4 HB3 ALA 4 6.595 -6.137 0.237 29 HA PRO 5 HA PRO 5 6.875 -4.707 5.280 30 HB2 PRO 5 HB2 PRO 5 5.337 -6.403 7.149 31 HB3 PRO 5 HB1 PRO 5 5.529 -4.648 7.123 32 HG2 PRO 5 HG2 PRO 5 3.207 -5.823 6.442 33 HG3 PRO 5 HG1 PRO 5 3.773 -4.341 5.652 34 HD2 PRO 5 HD2 PRO 5 3.886 -7.175 4.665 35 HD3 PRO 5 HD1 PRO 5 3.479 -5.689 3.778 36 H ALA 6 HN ALA 6 8.183 -5.655 7.173 37 HA ALA 6 HA ALA 6 8.887 -8.439 7.011 38 HB1 ALA 6 HB1 ALA 6 10.021 -7.600 5.007 39 HB2 ALA 6 HB2 ALA 6 11.180 -8.140 6.220 40 HB3 ALA 6 HB3 ALA 6 10.886 -6.417 5.987 41 H SER 7 HN SER 7 10.452 -5.337 7.887 42 HA SER 7 HA SER 7 11.329 -6.483 10.425 43 HB2 SER 7 HB2 SER 7 12.675 -4.445 10.661 44 HB3 SER 7 HB1 SER 7 12.934 -5.167 9.072 45 HG SER 7 HG SER 7 12.600 -3.053 8.651 46 HA PRO 8 HA PRO 8 8.028 -4.738 12.912 47 HB2 PRO 8 HB2 PRO 8 10.215 -4.503 14.933 48 HB3 PRO 8 HB1 PRO 8 8.616 -5.243 15.083 49 HG2 PRO 8 HG2 PRO 8 10.770 -6.776 14.835 50 HG3 PRO 8 HG1 PRO 8 9.271 -7.194 13.983 51 HD2 PRO 8 HD2 PRO 8 11.772 -5.932 12.909 52 HD3 PRO 8 HD1 PRO 8 10.722 -7.160 12.170 53 H GLN 9 HN GLN 9 11.120 -3.156 12.447 54 HA GLN 9 HA GLN 9 10.681 -0.731 13.792 55 HB2 GLN 9 HB2 GLN 9 12.206 -0.920 11.193 56 HB3 GLN 9 HB1 GLN 9 12.523 0.131 12.565 57 HG2 GLN 9 HG2 GLN 9 12.909 -2.858 12.511 58 HG3 GLN 9 HG1 GLN 9 14.180 -1.652 12.347 59 HE21 GLN 9 HE21 GLN 9 13.913 -3.738 14.324 60 HE22 GLN 9 HE22 GLN 9 13.883 -2.949 15.857 61 H GLN 10 HN GLN 10 9.861 -1.755 10.528 62 HA GLN 10 HA GLN 10 8.972 0.677 9.461 63 HB2 GLN 10 HB2 GLN 10 8.155 -2.163 8.822 64 HB3 GLN 10 HB1 GLN 10 7.754 -0.766 7.827 65 HG2 GLN 10 HG2 GLN 10 10.027 -0.379 7.283 66 HG3 GLN 10 HG1 GLN 10 10.587 -1.506 8.517 67 HE21 GLN 10 HE21 GLN 10 8.669 -3.559 7.894 68 HE22 GLN 10 HE22 GLN 10 9.138 -4.238 6.375 69 H ILE 11 HN ILE 11 7.359 -1.602 11.570 70 HA ILE 11 HA ILE 11 4.686 -0.837 11.136 71 HB ILE 11 HB ILE 11 6.091 -2.135 13.461 72 HG12 ILE 11 HG12 ILE 11 4.603 -4.041 12.856 73 HG13 ILE 11 HG11 ILE 11 3.923 -3.076 11.552 74 HG21 ILE 11 HG21 ILE 11 4.395 -0.767 14.515 75 HG22 ILE 11 HG22 ILE 11 3.912 -2.462 14.575 76 HG23 ILE 11 HG23 ILE 11 3.168 -1.375 13.401 77 HD11 ILE 11 HD11 ILE 11 6.789 -3.975 11.775 78 HD12 ILE 11 HD12 ILE 11 6.106 -3.016 10.462 79 HD13 ILE 11 HD13 ILE 11 5.554 -4.670 10.725 80 H ARG 12 HN ARG 12 7.193 0.575 13.196 81 HA ARG 12 HA ARG 12 5.587 2.281 14.743 82 HB2 ARG 12 HB2 ARG 12 8.023 1.860 15.125 83 HB3 ARG 12 HB1 ARG 12 8.380 2.863 13.725 84 HG2 ARG 12 HG2 ARG 12 7.265 4.769 14.865 85 HG3 ARG 12 HG1 ARG 12 7.058 3.749 16.290 86 HD2 ARG 12 HD2 ARG 12 9.012 5.171 16.547 87 HD3 ARG 12 HD1 ARG 12 9.501 3.479 16.433 88 HE ARG 12 HE ARG 12 9.572 4.600 13.868 89 HH11 ARG 12 HH11 ARG 12 11.222 4.913 16.876 90 HH12 ARG 12 HH12 ARG 12 12.718 5.353 16.132 91 HH21 ARG 12 HH21 ARG 12 11.492 5.172 12.927 92 HH22 ARG 12 HH22 ARG 12 12.867 5.510 13.921 93 H ASP 13 HN ASP 13 7.163 2.855 11.603 94 HA ASP 13 HA ASP 13 6.295 5.491 11.195 95 HB2 ASP 13 HB2 ASP 13 8.059 4.598 9.839 96 HB3 ASP 13 HB1 ASP 13 7.032 3.293 9.254 97 H ARG 14 HN ARG 14 4.698 2.416 10.578 98 HA ARG 14 HA ARG 14 2.568 3.321 8.988 99 HB2 ARG 14 HB2 ARG 14 2.561 1.052 10.989 100 HB3 ARG 14 HB1 ARG 14 1.387 1.289 9.705 101 HG2 ARG 14 HG2 ARG 14 4.332 0.789 9.267 102 HG3 ARG 14 HG1 ARG 14 3.075 -0.443 9.195 103 HD2 ARG 14 HD2 ARG 14 3.445 0.134 6.958 104 HD3 ARG 14 HD1 ARG 14 1.987 1.019 7.395 105 HE ARG 14 HE ARG 14 4.183 2.704 7.815 106 HH11 ARG 14 HH11 ARG 14 2.577 1.155 5.194 107 HH12 ARG 14 HH12 ARG 14 3.014 2.377 4.057 108 HH21 ARG 14 HH21 ARG 14 4.745 4.270 6.329 109 HH22 ARG 14 HH22 ARG 14 4.220 4.109 4.690 110 H LEU 15 HN LEU 15 3.036 3.430 12.471 111 HA LEU 15 HA LEU 15 0.420 4.100 13.264 112 HB2 LEU 15 HB2 LEU 15 2.185 3.413 14.814 113 HB3 LEU 15 HB1 LEU 15 3.086 4.874 14.475 114 HG LEU 15 HG LEU 15 0.324 5.084 15.650 115 HD11 LEU 15 HD11 LEU 15 1.287 4.997 17.901 116 HD12 LEU 15 HD12 LEU 15 2.851 4.550 17.220 117 HD13 LEU 15 HD13 LEU 15 1.475 3.459 17.061 118 HD21 LEU 15 HD21 LEU 15 1.269 7.109 16.671 119 HD22 LEU 15 HD22 LEU 15 1.434 7.140 14.916 120 HD23 LEU 15 HD23 LEU 15 2.830 6.760 15.925 121 H LEU 16 HN LEU 16 3.125 6.160 12.227 122 HA LEU 16 HA LEU 16 1.957 8.633 12.879 123 HB2 LEU 16 HB2 LEU 16 4.138 7.893 10.939 124 HB3 LEU 16 HB1 LEU 16 3.630 9.554 11.173 125 HG LEU 16 HG LEU 16 5.602 9.173 12.485 126 HD11 LEU 16 HD11 LEU 16 4.814 9.736 14.728 127 HD12 LEU 16 HD12 LEU 16 3.183 9.230 14.288 128 HD13 LEU 16 HD13 LEU 16 3.922 10.618 13.490 129 HD21 LEU 16 HD21 LEU 16 4.138 6.861 13.764 130 HD22 LEU 16 HD22 LEU 16 5.712 7.485 14.264 131 HD23 LEU 16 HD23 LEU 16 5.519 6.752 12.672 132 H GLN 17 HN GLN 17 1.498 6.622 10.038 133 HA GLN 17 HA GLN 17 0.364 8.738 8.433 134 HB2 GLN 17 HB2 GLN 17 -0.196 7.025 6.817 135 HB3 GLN 17 HB1 GLN 17 1.442 6.755 7.396 136 HG2 GLN 17 HG2 GLN 17 0.816 4.886 8.660 137 HG3 GLN 17 HG1 GLN 17 -0.894 5.306 8.605 138 HE21 GLN 17 HE21 GLN 17 -1.475 3.297 7.827 139 HE22 GLN 17 HE22 GLN 17 -1.177 2.816 6.196 140 H ALA 18 HN ALA 18 -0.841 6.951 11.038 141 HA ALA 18 HA ALA 18 -3.613 7.005 10.012 142 HB1 ALA 18 HB1 ALA 18 -2.708 4.797 10.600 143 HB2 ALA 18 HB2 ALA 18 -4.092 5.237 11.600 144 HB3 ALA 18 HB3 ALA 18 -2.458 5.352 12.254 145 H ILE 19 HN ILE 19 -1.586 8.151 12.648 146 HA ILE 19 HA ILE 19 -3.854 9.655 13.738 147 HB ILE 19 HB ILE 19 -3.392 8.972 16.050 148 HG12 ILE 19 HG12 ILE 19 -1.518 6.920 14.834 149 HG13 ILE 19 HG11 ILE 19 -1.010 8.354 15.719 150 HG21 ILE 19 HG21 ILE 19 -5.145 7.797 14.806 151 HG22 ILE 19 HG22 ILE 19 -4.365 6.736 15.979 152 HG23 ILE 19 HG23 ILE 19 -3.964 6.601 14.267 153 HD11 ILE 19 HD11 ILE 19 -0.910 6.351 17.091 154 HD12 ILE 19 HD12 ILE 19 -2.637 6.090 16.846 155 HD13 ILE 19 HD13 ILE 19 -2.074 7.512 17.727 156 H ASP 20 HN ASP 20 -3.208 11.266 15.367 157 HA ASP 20 HA ASP 20 -0.586 12.404 14.985 158 HB2 ASP 20 HB2 ASP 20 -2.837 13.051 16.908 159 HB3 ASP 20 HB1 ASP 20 -1.323 13.951 16.849 160 HA PRO 21 HA PRO 21 1.818 10.252 18.050 161 HB2 PRO 21 HB2 PRO 21 2.550 12.980 19.045 162 HB3 PRO 21 HB1 PRO 21 3.596 11.616 18.625 163 HG2 PRO 21 HG2 PRO 21 3.358 13.664 16.957 164 HG3 PRO 21 HG1 PRO 21 3.396 12.003 16.331 165 HD2 PRO 21 HD2 PRO 21 1.064 13.854 16.667 166 HD3 PRO 21 HD1 PRO 21 1.402 12.688 15.371 167 H GLN 22 HN GLN 22 -0.636 12.493 18.936 168 HA GLN 22 HA GLN 22 -0.522 11.831 21.784 169 HB2 GLN 22 HB2 GLN 22 -2.473 13.645 20.349 170 HB3 GLN 22 HB1 GLN 22 -2.193 13.550 22.083 171 HG2 GLN 22 HG2 GLN 22 -0.223 14.517 20.015 172 HG3 GLN 22 HG1 GLN 22 -1.147 15.524 21.126 173 HE21 GLN 22 HE21 GLN 22 -0.815 13.721 23.383 174 HE22 GLN 22 HE22 GLN 22 0.823 13.895 23.897 175 H SER 23 HN SER 23 -1.428 9.982 19.468 176 HA SER 23 HA SER 23 -2.716 8.115 19.392 177 HB2 SER 23 HB2 SER 23 -3.480 8.920 22.209 178 HB3 SER 23 HB1 SER 23 -3.904 7.381 21.465 179 HG SER 23 HG SER 23 -1.799 6.783 21.443 180 H ASN 24 HN ASN 24 -3.925 10.870 18.703 181 HA ASN 24 HA ASN 24 -6.753 10.046 18.820 182 HB2 ASN 24 HB2 ASN 24 -7.270 12.388 18.093 183 HB3 ASN 24 HB1 ASN 24 -6.504 12.263 19.669 184 HD21 ASN 24 HD21 ASN 24 -4.411 13.013 19.933 185 HD22 ASN 24 HD22 ASN 24 -3.667 14.057 18.776 186 H ILE 25 HN ILE 25 -8.039 9.944 16.949 187 HA ILE 25 HA ILE 25 -6.593 8.691 14.806 188 HB ILE 25 HB ILE 25 -9.561 9.161 15.163 189 HG12 ILE 25 HG12 ILE 25 -8.501 7.697 16.875 190 HG13 ILE 25 HG11 ILE 25 -9.671 6.845 15.875 191 HG21 ILE 25 HG21 ILE 25 -8.130 7.409 13.157 192 HG22 ILE 25 HG22 ILE 25 -9.060 8.864 12.804 193 HG23 ILE 25 HG23 ILE 25 -9.872 7.432 13.434 194 HD11 ILE 25 HD11 ILE 25 -6.678 6.732 15.598 195 HD12 ILE 25 HD12 ILE 25 -7.835 5.896 14.562 196 HD13 ILE 25 HD13 ILE 25 -7.721 5.481 16.272 197 H ARG 26 HN ARG 26 -5.929 9.584 12.929 198 HA ARG 26 HA ARG 26 -7.539 11.762 11.738 199 HB2 ARG 26 HB2 ARG 26 -4.791 10.713 11.001 200 HB3 ARG 26 HB1 ARG 26 -5.667 11.918 10.068 201 HG2 ARG 26 HG2 ARG 26 -5.670 13.366 12.122 202 HG3 ARG 26 HG1 ARG 26 -4.573 12.193 12.861 203 HD2 ARG 26 HD2 ARG 26 -2.962 12.543 11.054 204 HD3 ARG 26 HD1 ARG 26 -4.067 13.676 10.274 205 HE ARG 26 HE ARG 26 -3.068 14.230 12.976 206 HH11 ARG 26 HH11 ARG 26 -3.251 15.091 9.645 207 HH12 ARG 26 HH12 ARG 26 -2.563 16.653 9.904 208 HH21 ARG 26 HH21 ARG 26 -2.182 16.222 13.290 209 HH22 ARG 26 HH22 ARG 26 -1.964 17.291 11.945 210 H ASN 27 HN ASN 27 -6.166 8.578 11.130 211 HA ASN 27 HA ASN 27 -8.119 8.088 8.976 212 HB2 ASN 27 HB2 ASN 27 -5.161 7.415 8.943 213 HB3 ASN 27 HB1 ASN 27 -6.324 6.875 7.736 214 HD21 ASN 27 HD21 ASN 27 -3.903 8.732 7.759 215 HD22 ASN 27 HD22 ASN 27 -4.471 10.140 6.935 216 H MET 28 HN MET 28 -9.406 6.743 10.281 217 HA MET 28 HA MET 28 -8.382 4.813 12.077 218 HB2 MET 28 HB2 MET 28 -10.689 5.723 12.183 219 HB3 MET 28 HB1 MET 28 -11.088 4.835 10.719 220 HG2 MET 28 HG2 MET 28 -10.722 2.725 11.856 221 HG3 MET 28 HG1 MET 28 -10.199 3.573 13.310 222 HE1 MET 28 HE1 MET 28 -13.185 2.836 10.895 223 HE2 MET 28 HE2 MET 28 -13.185 4.599 10.926 224 HE3 MET 28 HE3 MET 28 -14.510 3.703 11.669 225 H VAL 29 HN VAL 29 -9.248 4.638 8.662 226 HA VAL 29 HA VAL 29 -9.045 1.864 8.277 227 HB VAL 29 HB VAL 29 -8.308 4.088 6.353 228 HG11 VAL 29 HG11 VAL 29 -7.305 1.976 5.654 229 HG12 VAL 29 HG12 VAL 29 -8.627 2.419 4.576 230 HG13 VAL 29 HG13 VAL 29 -8.865 1.168 5.796 231 HG21 VAL 29 HG21 VAL 29 -10.886 2.547 6.711 232 HG22 VAL 29 HG22 VAL 29 -10.561 3.711 5.425 233 HG23 VAL 29 HG23 VAL 29 -10.614 4.247 7.104 234 H ALA 30 HN ALA 30 -6.527 4.379 8.165 235 HA ALA 30 HA ALA 30 -4.386 2.698 7.435 236 HB1 ALA 30 HB1 ALA 30 -4.263 5.117 7.219 237 HB2 ALA 30 HB2 ALA 30 -2.933 4.515 8.207 238 HB3 ALA 30 HB3 ALA 30 -4.316 5.294 8.973 239 H VAL 31 HN VAL 31 -5.778 3.477 10.591 240 HA VAL 31 HA VAL 31 -3.872 2.223 12.242 241 HB VAL 31 HB VAL 31 -6.879 2.366 12.645 242 HG11 VAL 31 HG11 VAL 31 -5.893 0.652 14.067 243 HG12 VAL 31 HG12 VAL 31 -6.381 2.042 15.036 244 HG13 VAL 31 HG13 VAL 31 -4.678 1.795 14.642 245 HG21 VAL 31 HG21 VAL 31 -5.893 4.573 12.397 246 HG22 VAL 31 HG22 VAL 31 -4.677 4.191 13.617 247 HG23 VAL 31 HG23 VAL 31 -6.378 4.308 14.072 248 H LEU 32 HN LEU 32 -6.732 0.928 10.585 249 HA LEU 32 HA LEU 32 -6.540 -1.737 11.425 250 HB2 LEU 32 HB2 LEU 32 -7.521 -0.689 8.763 251 HB3 LEU 32 HB1 LEU 32 -7.860 -2.280 9.421 252 HG LEU 32 HG LEU 32 -8.799 0.354 10.581 253 HD11 LEU 32 HD11 LEU 32 -9.960 -0.243 8.519 254 HD12 LEU 32 HD12 LEU 32 -11.026 -0.384 9.917 255 HD13 LEU 32 HD13 LEU 32 -10.339 -1.834 9.182 256 HD21 LEU 32 HD21 LEU 32 -9.330 -2.475 11.490 257 HD22 LEU 32 HD22 LEU 32 -10.127 -1.032 12.118 258 HD23 LEU 32 HD23 LEU 32 -8.394 -1.252 12.351 259 H GLU 33 HN GLU 33 -4.839 -0.003 8.874 260 HA GLU 33 HA GLU 33 -3.584 -2.261 7.693 261 HB2 GLU 33 HB2 GLU 33 -2.583 0.595 7.760 262 HB3 GLU 33 HB1 GLU 33 -2.098 -0.659 6.623 263 HG2 GLU 33 HG2 GLU 33 -4.471 -0.764 5.844 264 HG3 GLU 33 HG1 GLU 33 -4.810 0.633 6.864 265 H VAL 34 HN VAL 34 -2.625 -0.096 10.347 266 HA VAL 34 HA VAL 34 -0.083 -1.216 10.876 267 HB VAL 34 HB VAL 34 -2.036 -0.063 12.895 268 HG11 VAL 34 HG11 VAL 34 -0.267 -1.328 13.983 269 HG12 VAL 34 HG12 VAL 34 -0.017 0.399 14.241 270 HG13 VAL 34 HG13 VAL 34 0.956 -0.465 13.049 271 HG21 VAL 34 HG21 VAL 34 0.164 1.302 11.345 272 HG22 VAL 34 HG22 VAL 34 -0.836 2.039 12.599 273 HG23 VAL 34 HG23 VAL 34 -1.570 1.510 11.085 274 H ILE 35 HN ILE 35 -3.259 -1.928 12.309 275 HA ILE 35 HA ILE 35 -2.487 -4.113 13.891 276 HB ILE 35 HB ILE 35 -5.177 -3.590 12.592 277 HG12 ILE 35 HG12 ILE 35 -4.143 -2.828 15.341 278 HG13 ILE 35 HG11 ILE 35 -4.367 -1.720 13.992 279 HG21 ILE 35 HG21 ILE 35 -4.977 -5.900 13.366 280 HG22 ILE 35 HG22 ILE 35 -6.098 -4.997 14.384 281 HG23 ILE 35 HG23 ILE 35 -4.465 -5.337 14.957 282 HD11 ILE 35 HD11 ILE 35 -6.539 -3.258 15.395 283 HD12 ILE 35 HD12 ILE 35 -6.768 -2.159 14.034 284 HD13 ILE 35 HD13 ILE 35 -6.182 -1.541 15.577 285 H SER 36 HN SER 36 -3.530 -3.945 10.518 286 HA SER 36 HA SER 36 -3.610 -6.668 9.871 287 HB2 SER 36 HB2 SER 36 -4.414 -4.986 8.313 288 HB3 SER 36 HB1 SER 36 -2.804 -4.284 8.176 289 HG SER 36 HG SER 36 -2.846 -5.548 6.460 290 H SER 37 HN SER 37 -0.886 -4.393 9.857 291 HA SER 37 HA SER 37 1.090 -6.249 9.018 292 HB2 SER 37 HB2 SER 37 1.407 -3.729 10.676 293 HB3 SER 37 HB1 SER 37 2.723 -4.607 9.894 294 HG SER 37 HG SER 37 0.508 -3.407 8.566 295 H LEU 38 HN LEU 38 0.015 -5.190 12.225 296 HA LEU 38 HA LEU 38 1.819 -6.647 13.801 297 HB2 LEU 38 HB2 LEU 38 -0.811 -5.335 14.214 298 HB3 LEU 38 HB1 LEU 38 -0.361 -6.529 15.404 299 HG LEU 38 HG LEU 38 1.719 -5.288 15.874 300 HD11 LEU 38 HD11 LEU 38 2.045 -3.050 14.989 301 HD12 LEU 38 HD12 LEU 38 0.609 -3.220 13.980 302 HD13 LEU 38 HD13 LEU 38 2.020 -4.238 13.686 303 HD21 LEU 38 HD21 LEU 38 -0.801 -3.635 16.095 304 HD22 LEU 38 HD22 LEU 38 0.677 -3.398 17.030 305 HD23 LEU 38 HD23 LEU 38 -0.263 -4.876 17.228 306 H GLU 39 HN GLU 39 -1.332 -7.608 12.469 307 HA GLU 39 HA GLU 39 -1.524 -10.098 13.780 308 HB2 GLU 39 HB2 GLU 39 -2.720 -9.132 11.175 309 HB3 GLU 39 HB1 GLU 39 -3.115 -10.686 11.897 310 HG2 GLU 39 HG2 GLU 39 -3.957 -9.534 13.900 311 HG3 GLU 39 HG1 GLU 39 -3.580 -7.982 13.157 312 H LYS 40 HN LYS 40 0.264 -9.128 10.928 313 HA LYS 40 HA LYS 40 1.021 -11.915 10.362 314 HB2 LYS 40 HB2 LYS 40 1.532 -9.341 8.866 315 HB3 LYS 40 HB1 LYS 40 2.204 -10.892 8.384 316 HG2 LYS 40 HG2 LYS 40 -0.042 -11.779 8.049 317 HG3 LYS 40 HG1 LYS 40 -0.737 -10.240 8.570 318 HD2 LYS 40 HD2 LYS 40 0.253 -9.097 6.685 319 HD3 LYS 40 HD1 LYS 40 1.130 -10.552 6.211 320 HE2 LYS 40 HE2 LYS 40 -0.959 -11.679 5.700 321 HE3 LYS 40 HE1 LYS 40 -1.878 -10.283 6.265 322 HZ1 LYS 40 HZ1 LYS 40 -1.665 -10.361 3.841 323 HZ2 LYS 40 HZ2 LYS 40 0.015 -10.252 3.977 324 HZ3 LYS 40 HZ3 LYS 40 -0.959 -8.971 4.491 325 H TYR 41 HN TYR 41 2.281 -9.089 11.915 326 HA TYR 41 HA TYR 41 4.902 -10.382 12.224 327 HB2 TYR 41 HB2 TYR 41 4.493 -7.512 11.347 328 HB3 TYR 41 HB1 TYR 41 6.035 -8.171 11.881 329 HD1 TYR 41 HD1 TYR 41 3.641 -7.973 9.140 330 HD2 TYR 41 HD2 TYR 41 7.207 -9.862 10.505 331 HE1 TYR 41 HE1 TYR 41 4.118 -8.723 6.848 332 HE2 TYR 41 HE2 TYR 41 7.691 -10.611 8.218 333 HH TYR 41 HH TYR 41 6.115 -9.393 5.502 334 HA PRO 42 HA PRO 42 3.805 -8.846 16.411 335 HB2 PRO 42 HB2 PRO 42 5.431 -11.133 17.277 336 HB3 PRO 42 HB1 PRO 42 3.747 -10.753 17.653 337 HG2 PRO 42 HG2 PRO 42 4.444 -12.823 16.048 338 HG3 PRO 42 HG1 PRO 42 2.941 -11.908 15.825 339 HD2 PRO 42 HD2 PRO 42 5.544 -11.670 14.335 340 HD3 PRO 42 HD1 PRO 42 3.882 -11.659 13.704 341 H ILE 43 HN ILE 43 5.083 -7.435 17.499 342 HA ILE 43 HA ILE 43 7.588 -6.666 16.496 343 HB ILE 43 HB ILE 43 6.302 -5.994 19.153 344 HG12 ILE 43 HG12 ILE 43 6.348 -4.484 16.518 345 HG13 ILE 43 HG11 ILE 43 4.968 -5.361 17.169 346 HG21 ILE 43 HG21 ILE 43 7.806 -4.045 19.187 347 HG22 ILE 43 HG22 ILE 43 8.611 -4.651 17.740 348 HG23 ILE 43 HG23 ILE 43 8.697 -5.565 19.245 349 HD11 ILE 43 HD11 ILE 43 4.898 -3.824 19.072 350 HD12 ILE 43 HD12 ILE 43 4.725 -2.983 17.531 351 HD13 ILE 43 HD13 ILE 43 6.264 -2.935 18.394 352 H THR 44 HN THR 44 9.598 -7.345 16.859 353 HA THR 44 HA THR 44 10.137 -9.449 18.771 354 HB THR 44 HB THR 44 12.167 -8.037 17.020 355 HG1 THR 44 HG1 THR 44 11.710 -9.810 15.538 356 HG21 THR 44 HG21 THR 44 13.352 -10.197 17.138 357 HG22 THR 44 HG22 THR 44 12.092 -10.827 18.198 358 HG23 THR 44 HG23 THR 44 13.120 -9.503 18.743 359 H LYS 45 HN LYS 45 12.091 -9.291 20.242 360 HA LYS 45 HA LYS 45 11.445 -7.368 22.150 361 HB2 LYS 45 HB2 LYS 45 13.662 -8.216 23.261 362 HB3 LYS 45 HB1 LYS 45 12.263 -9.262 23.123 363 HG2 LYS 45 HG2 LYS 45 14.142 -10.575 22.557 364 HG3 LYS 45 HG1 LYS 45 13.306 -10.229 21.045 365 HD2 LYS 45 HD2 LYS 45 14.930 -8.467 20.544 366 HD3 LYS 45 HD1 LYS 45 15.757 -8.781 22.069 367 HE2 LYS 45 HE2 LYS 45 16.360 -11.006 21.328 368 HE3 LYS 45 HE1 LYS 45 15.415 -10.805 19.852 369 HZ1 LYS 45 HZ1 LYS 45 17.828 -9.236 20.597 370 HZ2 LYS 45 HZ2 LYS 45 16.909 -9.018 19.191 371 HZ3 LYS 45 HZ3 LYS 45 17.757 -10.459 19.431 372 H GLU 46 HN GLU 46 14.328 -7.324 19.986 373 HA GLU 46 HA GLU 46 15.476 -5.080 21.333 374 HB2 GLU 46 HB2 GLU 46 17.119 -4.971 19.587 375 HB3 GLU 46 HB1 GLU 46 16.837 -6.660 19.968 376 HG2 GLU 46 HG2 GLU 46 15.708 -5.186 17.591 377 HG3 GLU 46 HG1 GLU 46 17.095 -6.275 17.570 378 H ALA 47 HN ALA 47 13.342 -5.413 18.557 379 HA ALA 47 HA ALA 47 13.310 -2.702 17.763 380 HB1 ALA 47 HB1 ALA 47 11.126 -4.781 17.541 381 HB2 ALA 47 HB2 ALA 47 12.417 -4.505 16.372 382 HB3 ALA 47 HB3 ALA 47 11.200 -3.260 16.649 383 H LEU 48 HN LEU 48 11.334 -4.521 20.077 384 HA LEU 48 HA LEU 48 9.455 -2.532 20.680 385 HB2 LEU 48 HB2 LEU 48 9.337 -4.970 21.271 386 HB3 LEU 48 HB1 LEU 48 10.513 -4.672 22.537 387 HG LEU 48 HG LEU 48 8.871 -3.060 23.569 388 HD11 LEU 48 HD11 LEU 48 7.549 -2.603 21.567 389 HD12 LEU 48 HD12 LEU 48 6.536 -3.195 22.881 390 HD13 LEU 48 HD13 LEU 48 6.976 -4.271 21.555 391 HD21 LEU 48 HD21 LEU 48 9.148 -5.341 24.419 392 HD22 LEU 48 HD22 LEU 48 7.942 -5.920 23.270 393 HD23 LEU 48 HD23 LEU 48 7.472 -4.807 24.553 394 H GLU 49 HN GLU 49 12.532 -3.327 22.303 395 HA GLU 49 HA GLU 49 12.283 -1.269 24.267 396 HB2 GLU 49 HB2 GLU 49 14.588 -1.838 24.889 397 HB3 GLU 49 HB1 GLU 49 13.580 -3.270 24.740 398 HG2 GLU 49 HG2 GLU 49 14.547 -3.713 22.530 399 HG3 GLU 49 HG1 GLU 49 15.562 -2.282 22.692 400 H GLU 50 HN GLU 50 14.079 -1.469 21.192 401 HA GLU 50 HA GLU 50 15.675 0.840 21.728 402 HB2 GLU 50 HB2 GLU 50 16.484 -0.951 20.296 403 HB3 GLU 50 HB1 GLU 50 15.177 -0.666 19.155 404 HG2 GLU 50 HG2 GLU 50 16.099 1.588 18.712 405 HG3 GLU 50 HG1 GLU 50 17.447 1.218 19.788 406 H THR 51 HN THR 51 12.990 0.338 19.381 407 HA THR 51 HA THR 51 13.094 3.193 18.728 408 HB THR 51 HB THR 51 11.423 2.612 16.944 409 HG1 THR 51 HG1 THR 51 11.795 0.021 16.750 410 HG21 THR 51 HG21 THR 51 13.051 1.460 15.509 411 HG22 THR 51 HG22 THR 51 14.011 1.045 16.929 412 HG23 THR 51 HG23 THR 51 13.820 2.734 16.455 413 H ARG 52 HN ARG 52 11.717 1.685 21.151 414 HA ARG 52 HA ARG 52 10.093 2.234 22.633 415 HB2 ARG 52 HB2 ARG 52 9.785 4.646 20.837 416 HB3 ARG 52 HB1 ARG 52 8.916 4.444 22.353 417 HG2 ARG 52 HG2 ARG 52 11.054 4.329 23.554 418 HG3 ARG 52 HG1 ARG 52 11.913 4.566 22.032 419 HD2 ARG 52 HD2 ARG 52 10.941 6.763 21.776 420 HD3 ARG 52 HD1 ARG 52 9.933 6.525 23.205 421 HE ARG 52 HE ARG 52 12.533 6.171 24.046 422 HH11 ARG 52 HH11 ARG 52 10.709 8.718 22.619 423 HH12 ARG 52 HH12 ARG 52 11.661 9.954 23.363 424 HH21 ARG 52 HH21 ARG 52 13.723 7.770 25.010 425 HH22 ARG 52 HH22 ARG 52 13.328 9.427 24.712 426 H LEU 53 HN LEU 53 9.499 0.548 20.308 427 HA LEU 53 HA LEU 53 6.850 0.948 19.440 428 HB2 LEU 53 HB2 LEU 53 8.510 -1.554 19.728 429 HB3 LEU 53 HB1 LEU 53 6.893 -1.562 19.046 430 HG LEU 53 HG LEU 53 9.236 -0.001 17.934 431 HD11 LEU 53 HD11 LEU 53 9.547 -2.395 17.629 432 HD12 LEU 53 HD12 LEU 53 9.182 -1.613 16.091 433 HD13 LEU 53 HD13 LEU 53 7.933 -2.532 16.932 434 HD21 LEU 53 HD21 LEU 53 6.448 -0.420 16.849 435 HD22 LEU 53 HD22 LEU 53 7.765 0.411 16.019 436 HD23 LEU 53 HD23 LEU 53 7.093 1.087 17.501 437 H GLY 54 HN GLY 54 8.020 0.130 22.537 438 HA2 GLY 54 HA2 GLY 54 5.821 -1.215 23.645 439 HA3 GLY 54 HA1 GLY 54 6.881 -0.132 24.522 440 H LYS 55 HN LYS 55 6.267 2.226 22.904 441 HA LYS 55 HA LYS 55 3.912 3.198 24.106 442 HB2 LYS 55 HB2 LYS 55 5.651 4.692 23.214 443 HB3 LYS 55 HB1 LYS 55 5.277 4.166 21.577 444 HG2 LYS 55 HG2 LYS 55 3.042 5.132 21.759 445 HG3 LYS 55 HG1 LYS 55 3.381 5.630 23.417 446 HD2 LYS 55 HD2 LYS 55 5.169 7.102 22.617 447 HD3 LYS 55 HD1 LYS 55 4.864 6.584 20.956 448 HE2 LYS 55 HE2 LYS 55 2.600 7.513 21.080 449 HE3 LYS 55 HE1 LYS 55 2.886 8.014 22.746 450 HZ1 LYS 55 HZ1 LYS 55 4.590 9.516 21.990 451 HZ2 LYS 55 HZ2 LYS 55 3.158 9.829 21.150 452 HZ3 LYS 55 HZ3 LYS 55 4.413 8.989 20.394 453 H LEU 56 HN LEU 56 4.497 1.670 20.990 454 HA LEU 56 HA LEU 56 1.932 1.898 19.872 455 HB2 LEU 56 HB2 LEU 56 3.980 1.198 18.656 456 HB3 LEU 56 HB1 LEU 56 3.953 -0.328 19.506 457 HG LEU 56 HG LEU 56 3.109 -0.304 17.096 458 HD11 LEU 56 HD11 LEU 56 2.737 -2.177 18.637 459 HD12 LEU 56 HD12 LEU 56 1.404 -1.957 17.504 460 HD13 LEU 56 HD13 LEU 56 1.236 -1.423 19.177 461 HD21 LEU 56 HD21 LEU 56 0.792 0.350 16.736 462 HD22 LEU 56 HD22 LEU 56 1.763 1.733 17.240 463 HD23 LEU 56 HD23 LEU 56 0.684 0.944 18.393 464 H ILE 57 HN ILE 57 3.235 -0.349 22.261 465 HA ILE 57 HA ILE 57 1.242 -2.311 22.272 466 HB ILE 57 HB ILE 57 2.887 -1.206 24.560 467 HG12 ILE 57 HG12 ILE 57 3.195 -3.706 22.878 468 HG13 ILE 57 HG11 ILE 57 4.214 -2.272 22.808 469 HG21 ILE 57 HG21 ILE 57 0.891 -2.233 25.483 470 HG22 ILE 57 HG22 ILE 57 2.307 -3.230 25.818 471 HG23 ILE 57 HG23 ILE 57 1.184 -3.694 24.540 472 HD11 ILE 57 HD11 ILE 57 4.942 -2.700 25.115 473 HD12 ILE 57 HD12 ILE 57 5.316 -4.041 24.032 474 HD13 ILE 57 HD13 ILE 57 3.952 -4.162 25.141 475 H ASN 58 HN ASN 58 1.401 0.742 24.097 476 HA ASN 58 HA ASN 58 -1.167 0.460 25.317 477 HB2 ASN 58 HB2 ASN 58 0.617 1.906 26.243 478 HB3 ASN 58 HB1 ASN 58 0.485 2.959 24.839 479 HD21 ASN 58 HD21 ASN 58 -0.088 4.749 26.016 480 HD22 ASN 58 HD22 ASN 58 -1.625 4.907 26.794 481 H ASP 59 HN ASP 59 0.040 2.112 22.438 482 HA ASP 59 HA ASP 59 -2.272 3.628 21.904 483 HB2 ASP 59 HB2 ASP 59 0.054 4.059 21.055 484 HB3 ASP 59 HB1 ASP 59 -0.173 2.734 19.917 485 H VAL 60 HN VAL 60 -1.203 0.488 20.546 486 HA VAL 60 HA VAL 60 -3.382 0.236 18.739 487 HB VAL 60 HB VAL 60 -1.262 -1.039 18.491 488 HG11 VAL 60 HG11 VAL 60 -0.894 -3.081 19.789 489 HG12 VAL 60 HG12 VAL 60 -2.310 -2.716 20.776 490 HG13 VAL 60 HG13 VAL 60 -0.900 -1.656 20.830 491 HG21 VAL 60 HG21 VAL 60 -3.765 -2.731 18.624 492 HG22 VAL 60 HG22 VAL 60 -2.294 -3.148 17.745 493 HG23 VAL 60 HG23 VAL 60 -3.241 -1.741 17.261 494 H ARG 61 HN ARG 61 -2.878 -0.835 22.059 495 HA ARG 61 HA ARG 61 -5.205 -2.331 22.471 496 HB2 ARG 61 HB2 ARG 61 -3.708 -2.435 24.235 497 HB3 ARG 61 HB1 ARG 61 -3.363 -0.714 24.186 498 HG2 ARG 61 HG2 ARG 61 -5.614 -0.297 25.172 499 HG3 ARG 61 HG1 ARG 61 -5.809 -2.043 25.343 500 HD2 ARG 61 HD2 ARG 61 -4.101 -2.194 26.940 501 HD3 ARG 61 HD1 ARG 61 -3.418 -0.630 26.495 502 HE ARG 61 HE ARG 61 -6.017 -0.231 27.457 503 HH11 ARG 61 HH11 ARG 61 -2.945 -1.261 28.625 504 HH12 ARG 61 HH12 ARG 61 -3.197 -0.581 30.194 505 HH21 ARG 61 HH21 ARG 61 -6.321 0.647 29.464 506 HH22 ARG 61 HH22 ARG 61 -5.091 0.474 30.668 507 H LYS 62 HN LYS 62 -4.674 1.143 22.486 508 HA LYS 62 HA LYS 62 -7.383 1.739 23.366 509 HB2 LYS 62 HB2 LYS 62 -5.263 2.945 24.104 510 HB3 LYS 62 HB1 LYS 62 -5.239 3.684 22.512 511 HG2 LYS 62 HG2 LYS 62 -7.378 4.751 22.942 512 HG3 LYS 62 HG1 LYS 62 -7.480 3.951 24.515 513 HD2 LYS 62 HD2 LYS 62 -5.355 5.098 25.162 514 HD3 LYS 62 HD1 LYS 62 -5.418 5.980 23.635 515 HE2 LYS 62 HE2 LYS 62 -7.553 6.975 24.293 516 HE3 LYS 62 HE1 LYS 62 -7.511 6.078 25.812 517 HZ1 LYS 62 HZ1 LYS 62 -5.474 7.259 26.390 518 HZ2 LYS 62 HZ2 LYS 62 -6.748 8.337 26.120 519 HZ3 LYS 62 HZ3 LYS 62 -5.549 8.132 24.946 520 H LYS 63 HN LYS 63 -5.578 1.659 20.370 521 HA LYS 63 HA LYS 63 -7.763 2.995 18.902 522 HB2 LYS 63 HB2 LYS 63 -4.842 2.700 18.441 523 HB3 LYS 63 HB1 LYS 63 -5.850 2.643 17.009 524 HG2 LYS 63 HG2 LYS 63 -5.655 4.863 16.984 525 HG3 LYS 63 HG1 LYS 63 -6.831 4.859 18.294 526 HD2 LYS 63 HD2 LYS 63 -3.873 4.662 18.819 527 HD3 LYS 63 HD1 LYS 63 -4.673 6.218 18.605 528 HE2 LYS 63 HE2 LYS 63 -5.440 4.152 20.667 529 HE3 LYS 63 HE1 LYS 63 -4.422 5.557 20.978 530 HZ1 LYS 63 HZ1 LYS 63 -7.219 5.681 19.991 531 HZ2 LYS 63 HZ2 LYS 63 -6.246 6.997 20.400 532 HZ3 LYS 63 HZ3 LYS 63 -6.755 5.919 21.597 533 H THR 64 HN THR 64 -7.543 0.037 19.846 534 HA THR 64 HA THR 64 -7.047 -1.610 17.614 535 HB THR 64 HB THR 64 -6.996 -2.566 19.831 536 HG1 THR 64 HG1 THR 64 -8.483 -4.380 19.422 537 HG21 THR 64 HG21 THR 64 -9.040 -2.906 21.148 538 HG22 THR 64 HG22 THR 64 -9.975 -2.033 19.935 539 HG23 THR 64 HG23 THR 64 -8.743 -1.189 20.875 540 H LYS 65 HN LYS 65 -8.461 -2.892 16.349 541 HA LYS 65 HA LYS 65 -10.619 -1.529 15.158 542 HB2 LYS 65 HB2 LYS 65 -11.049 -3.719 13.990 543 HB3 LYS 65 HB1 LYS 65 -9.399 -3.129 13.856 544 HG2 LYS 65 HG2 LYS 65 -8.679 -4.686 15.592 545 HG3 LYS 65 HG1 LYS 65 -10.335 -5.262 15.774 546 HD2 LYS 65 HD2 LYS 65 -8.950 -6.781 14.406 547 HD3 LYS 65 HD1 LYS 65 -10.319 -6.130 13.504 548 HE2 LYS 65 HE2 LYS 65 -8.880 -4.533 12.393 549 HE3 LYS 65 HE1 LYS 65 -7.508 -5.029 13.384 550 HZ1 LYS 65 HZ1 LYS 65 -8.937 -6.854 11.533 551 HZ2 LYS 65 HZ2 LYS 65 -7.474 -7.148 12.329 552 HZ3 LYS 65 HZ3 LYS 65 -7.553 -5.986 11.107 553 H ASN 66 HN ASN 66 -10.590 -4.273 17.420 554 HA ASN 66 HA ASN 66 -13.373 -3.616 18.143 555 HB2 ASN 66 HB2 ASN 66 -13.451 -5.690 16.907 556 HB3 ASN 66 HB1 ASN 66 -12.133 -6.364 17.860 557 HD21 ASN 66 HD21 ASN 66 -13.415 -8.126 18.444 558 HD22 ASN 66 HD22 ASN 66 -14.689 -7.988 19.607 559 H GLU 67 HN GLU 67 -13.604 -3.074 20.213 560 HA GLU 67 HA GLU 67 -11.496 -2.932 22.039 561 HB2 GLU 67 HB2 GLU 67 -14.477 -2.894 22.583 562 HB3 GLU 67 HB1 GLU 67 -13.242 -2.436 23.747 563 HG2 GLU 67 HG2 GLU 67 -13.922 -0.389 22.939 564 HG3 GLU 67 HG1 GLU 67 -12.514 -0.720 21.934 565 H GLU 68 HN GLU 68 -14.022 -5.400 21.681 566 HA GLU 68 HA GLU 68 -13.247 -6.924 23.962 567 HB2 GLU 68 HB2 GLU 68 -14.785 -7.711 21.476 568 HB3 GLU 68 HB1 GLU 68 -14.592 -8.746 22.888 569 HG2 GLU 68 HG2 GLU 68 -15.916 -6.034 22.868 570 HG3 GLU 68 HG1 GLU 68 -16.750 -7.589 22.882 571 H LEU 69 HN LEU 69 -12.262 -6.938 20.599 572 HA LEU 69 HA LEU 69 -10.655 -9.246 20.614 573 HB2 LEU 69 HB2 LEU 69 -11.388 -8.012 18.589 574 HB3 LEU 69 HB1 LEU 69 -10.286 -6.714 18.995 575 HG LEU 69 HG LEU 69 -9.219 -9.495 18.556 576 HD11 LEU 69 HD11 LEU 69 -10.629 -9.027 16.616 577 HD12 LEU 69 HD12 LEU 69 -8.921 -8.997 16.182 578 HD13 LEU 69 HD13 LEU 69 -9.808 -7.484 16.379 579 HD21 LEU 69 HD21 LEU 69 -8.062 -6.735 18.109 580 HD22 LEU 69 HD22 LEU 69 -7.232 -8.259 17.793 581 HD23 LEU 69 HD23 LEU 69 -7.677 -7.826 19.442 582 H ALA 70 HN ALA 70 -10.048 -5.973 21.744 583 HA ALA 70 HA ALA 70 -7.273 -5.905 21.788 584 HB1 ALA 70 HB1 ALA 70 -9.134 -4.652 23.807 585 HB2 ALA 70 HB2 ALA 70 -8.710 -3.967 22.239 586 HB3 ALA 70 HB3 ALA 70 -7.471 -4.169 23.475 587 H LYS 71 HN LYS 71 -9.458 -7.392 24.157 588 HA LYS 71 HA LYS 71 -7.494 -7.996 26.115 589 HB2 LYS 71 HB2 LYS 71 -10.098 -9.418 25.484 590 HB3 LYS 71 HB1 LYS 71 -9.102 -9.758 26.890 591 HG2 LYS 71 HG2 LYS 71 -10.798 -8.371 27.694 592 HG3 LYS 71 HG1 LYS 71 -9.413 -7.297 27.503 593 HD2 LYS 71 HD2 LYS 71 -10.321 -6.467 25.396 594 HD3 LYS 71 HD1 LYS 71 -11.674 -7.595 25.512 595 HE2 LYS 71 HE2 LYS 71 -12.393 -6.480 27.594 596 HE3 LYS 71 HE1 LYS 71 -11.066 -5.332 27.422 597 HZ1 LYS 71 HZ1 LYS 71 -12.044 -4.635 25.295 598 HZ2 LYS 71 HZ2 LYS 71 -13.080 -4.366 26.603 599 HZ3 LYS 71 HZ3 LYS 71 -13.360 -5.671 25.566 600 H ARG 72 HN ARG 72 -8.651 -9.721 23.276 601 HA ARG 72 HA ARG 72 -7.047 -12.058 23.638 602 HB2 ARG 72 HB2 ARG 72 -9.186 -11.866 22.306 603 HB3 ARG 72 HB1 ARG 72 -8.264 -11.019 21.073 604 HG2 ARG 72 HG2 ARG 72 -7.010 -12.947 20.540 605 HG3 ARG 72 HG1 ARG 72 -7.533 -13.787 22.005 606 HD2 ARG 72 HD2 ARG 72 -9.237 -13.056 19.619 607 HD3 ARG 72 HD1 ARG 72 -8.755 -14.678 20.124 608 HE ARG 72 HE ARG 72 -10.066 -13.670 22.289 609 HH11 ARG 72 HH11 ARG 72 -10.930 -14.116 18.979 610 HH12 ARG 72 HH12 ARG 72 -12.614 -14.274 19.334 611 HH21 ARG 72 HH21 ARG 72 -12.212 -13.841 22.719 612 HH22 ARG 72 HH22 ARG 72 -13.330 -14.140 21.435 613 H ALA 73 HN ALA 73 -6.661 -9.030 21.876 614 HA ALA 73 HA ALA 73 -4.288 -9.568 20.471 615 HB1 ALA 73 HB1 ALA 73 -4.018 -7.135 20.343 616 HB2 ALA 73 HB2 ALA 73 -5.251 -6.928 21.588 617 HB3 ALA 73 HB3 ALA 73 -5.688 -7.607 20.021 618 H LYS 74 HN LYS 74 -4.895 -8.721 23.788 619 HA LYS 74 HA LYS 74 -2.434 -7.902 24.711 620 HB2 LYS 74 HB2 LYS 74 -4.451 -7.941 26.097 621 HB3 LYS 74 HB1 LYS 74 -4.423 -9.698 26.118 622 HG2 LYS 74 HG2 LYS 74 -2.333 -9.676 27.364 623 HG3 LYS 74 HG1 LYS 74 -2.290 -7.914 27.289 624 HD2 LYS 74 HD2 LYS 74 -4.485 -9.523 28.609 625 HD3 LYS 74 HD1 LYS 74 -3.120 -8.807 29.466 626 HE2 LYS 74 HE2 LYS 74 -5.131 -7.251 27.831 627 HE3 LYS 74 HE1 LYS 74 -5.195 -7.439 29.582 628 HZ1 LYS 74 HZ1 LYS 74 -3.094 -6.305 29.769 629 HZ2 LYS 74 HZ2 LYS 74 -4.173 -5.340 28.897 630 HZ3 LYS 74 HZ3 LYS 74 -2.952 -6.184 28.091 631 H LYS 75 HN LYS 75 -3.447 -11.170 23.858 632 HA LYS 75 HA LYS 75 -1.442 -12.719 24.983 633 HB2 LYS 75 HB2 LYS 75 -2.886 -12.931 22.340 634 HB3 LYS 75 HB1 LYS 75 -1.725 -14.146 22.851 635 HG2 LYS 75 HG2 LYS 75 -4.104 -13.383 24.527 636 HG3 LYS 75 HG1 LYS 75 -4.171 -14.639 23.290 637 HD2 LYS 75 HD2 LYS 75 -2.105 -14.680 25.483 638 HD3 LYS 75 HD1 LYS 75 -3.715 -15.359 25.716 639 HE2 LYS 75 HE2 LYS 75 -2.155 -17.105 25.074 640 HE3 LYS 75 HE1 LYS 75 -3.352 -16.866 23.807 641 HZ1 LYS 75 HZ1 LYS 75 -1.114 -17.139 22.921 642 HZ2 LYS 75 HZ2 LYS 75 -0.585 -15.780 23.772 643 HZ3 LYS 75 HZ3 LYS 75 -1.734 -15.615 22.541 644 H LEU 76 HN LEU 76 -1.316 -10.975 21.847 645 HA LEU 76 HA LEU 76 1.315 -11.665 21.147 646 HB2 LEU 76 HB2 LEU 76 -0.220 -9.122 20.573 647 HB3 LEU 76 HB1 LEU 76 1.292 -9.561 19.799 648 HG LEU 76 HG LEU 76 -1.300 -11.110 19.572 649 HD11 LEU 76 HD11 LEU 76 -1.432 -8.985 18.404 650 HD12 LEU 76 HD12 LEU 76 -1.314 -10.312 17.250 651 HD13 LEU 76 HD13 LEU 76 0.099 -9.313 17.591 652 HD21 LEU 76 HD21 LEU 76 1.353 -11.505 18.177 653 HD22 LEU 76 HD22 LEU 76 -0.134 -12.396 17.842 654 HD23 LEU 76 HD23 LEU 76 0.660 -12.562 19.408 655 H LEU 77 HN LEU 77 0.080 -8.919 23.022 656 HA LEU 77 HA LEU 77 2.493 -7.607 23.559 657 HB2 LEU 77 HB2 LEU 77 -0.072 -7.817 25.140 658 HB3 LEU 77 HB1 LEU 77 1.267 -6.816 25.663 659 HG LEU 77 HG LEU 77 1.047 -5.389 23.721 660 HD11 LEU 77 HD11 LEU 77 -0.722 -5.683 22.064 661 HD12 LEU 77 HD12 LEU 77 -1.171 -7.219 22.806 662 HD13 LEU 77 HD13 LEU 77 0.409 -7.034 22.043 663 HD21 LEU 77 HD21 LEU 77 -1.196 -4.468 24.126 664 HD22 LEU 77 HD22 LEU 77 -0.362 -4.866 25.628 665 HD23 LEU 77 HD23 LEU 77 -1.628 -5.932 25.012 666 H ARG 78 HN ARG 78 0.863 -10.200 25.344 667 HA ARG 78 HA ARG 78 2.655 -10.438 27.497 668 HB2 ARG 78 HB2 ARG 78 0.850 -12.484 26.181 669 HB3 ARG 78 HB1 ARG 78 1.718 -12.776 27.685 670 HG2 ARG 78 HG2 ARG 78 0.447 -11.197 28.864 671 HG3 ARG 78 HG1 ARG 78 -0.150 -10.440 27.387 672 HD2 ARG 78 HD2 ARG 78 -1.898 -11.760 28.451 673 HD3 ARG 78 HD1 ARG 78 -1.466 -12.437 26.884 674 HE ARG 78 HE ARG 78 0.004 -13.725 28.928 675 HH11 ARG 78 HH11 ARG 78 -3.193 -13.510 27.641 676 HH12 ARG 78 HH12 ARG 78 -3.625 -15.107 28.149 677 HH21 ARG 78 HH21 ARG 78 -0.571 -15.758 29.605 678 HH22 ARG 78 HH22 ARG 78 -2.152 -16.368 29.249 679 H SER 79 HN SER 79 2.609 -11.987 24.313 680 HA SER 79 HA SER 79 4.856 -13.650 24.667 681 HB2 SER 79 HB2 SER 79 3.741 -12.411 22.136 682 HB3 SER 79 HB1 SER 79 4.970 -13.676 22.172 683 HG SER 79 HG SER 79 3.307 -14.964 22.173 684 H TRP 80 HN TRP 80 4.598 -10.243 23.739 685 HA TRP 80 HA TRP 80 7.382 -9.929 23.089 686 HB2 TRP 80 HB2 TRP 80 5.423 -7.767 23.915 687 HB3 TRP 80 HB1 TRP 80 6.938 -7.540 23.053 688 HD1 TRP 80 HD1 TRP 80 5.874 -10.291 21.173 689 HE1 TRP 80 HE1 TRP 80 4.368 -9.664 19.187 690 HE3 TRP 80 HE3 TRP 80 4.546 -5.580 22.624 691 HZ2 TRP 80 HZ2 TRP 80 2.825 -7.455 18.335 692 HZ3 TRP 80 HZ3 TRP 80 3.067 -4.262 21.172 693 HH2 TRP 80 HH2 TRP 80 2.217 -5.183 19.065 694 H GLN 81 HN GLN 81 5.460 -9.646 26.005 695 HA GLN 81 HA GLN 81 7.140 -8.131 27.622 696 HB2 GLN 81 HB2 GLN 81 5.241 -10.346 28.402 697 HB3 GLN 81 HB1 GLN 81 6.018 -9.267 29.553 698 HG2 GLN 81 HG2 GLN 81 4.081 -8.486 27.380 699 HG3 GLN 81 HG1 GLN 81 3.762 -8.532 29.111 700 HE21 GLN 81 HE21 GLN 81 5.301 -6.787 26.527 701 HE22 GLN 81 HE22 GLN 81 5.628 -5.355 27.431 702 H LYS 82 HN LYS 82 7.736 -11.302 26.459 703 HA LYS 82 HA LYS 82 9.099 -12.453 28.623 704 HB2 LYS 82 HB2 LYS 82 10.101 -13.979 26.987 705 HB3 LYS 82 HB1 LYS 82 8.384 -13.761 26.700 706 HG2 LYS 82 HG2 LYS 82 9.175 -13.651 24.557 707 HG3 LYS 82 HG1 LYS 82 9.210 -11.943 24.986 708 HD2 LYS 82 HD2 LYS 82 11.265 -12.544 23.853 709 HD3 LYS 82 HD1 LYS 82 11.617 -12.162 25.537 710 HE2 LYS 82 HE2 LYS 82 11.719 -14.539 26.076 711 HE3 LYS 82 HE1 LYS 82 11.284 -14.951 24.418 712 HZ1 LYS 82 HZ1 LYS 82 13.351 -13.828 23.705 713 HZ2 LYS 82 HZ2 LYS 82 13.625 -15.181 24.678 714 HZ3 LYS 82 HZ3 LYS 82 13.784 -13.630 25.328 715 H LEU 83 HN LEU 83 10.060 -9.792 26.728 716 HA LEU 83 HA LEU 83 12.895 -10.033 27.159 717 HB2 LEU 83 HB2 LEU 83 12.000 -8.712 25.308 718 HB3 LEU 83 HB1 LEU 83 11.170 -7.657 26.436 719 HG LEU 83 HG LEU 83 13.387 -6.920 27.315 720 HD11 LEU 83 HD11 LEU 83 15.404 -7.415 26.024 721 HD12 LEU 83 HD12 LEU 83 14.483 -8.517 24.999 722 HD13 LEU 83 HD13 LEU 83 14.704 -8.880 26.711 723 HD21 LEU 83 HD21 LEU 83 13.945 -5.504 25.395 724 HD22 LEU 83 HD22 LEU 83 12.202 -5.595 25.645 725 HD23 LEU 83 HD23 LEU 83 12.956 -6.527 24.352 726 H ILE 84 HN ILE 84 10.208 -8.437 28.819 727 HA ILE 84 HA ILE 84 12.009 -7.324 30.852 728 HB ILE 84 HB ILE 84 9.011 -6.979 30.534 729 HG12 ILE 84 HG12 ILE 84 9.732 -4.582 29.911 730 HG13 ILE 84 HG11 ILE 84 11.339 -5.251 29.665 731 HG21 ILE 84 HG21 ILE 84 10.951 -5.559 32.365 732 HG22 ILE 84 HG22 ILE 84 9.684 -6.690 32.847 733 HG23 ILE 84 HG23 ILE 84 9.253 -5.130 32.145 734 HD11 ILE 84 HD11 ILE 84 8.841 -6.095 28.208 735 HD12 ILE 84 HD12 ILE 84 10.467 -6.727 27.939 736 HD13 ILE 84 HD13 ILE 84 10.107 -5.039 27.579 737 H GLU 85 HN GLU 85 9.872 -9.962 30.355 738 HA GLU 85 HA GLU 85 9.959 -10.677 33.217 739 HB2 GLU 85 HB2 GLU 85 7.731 -11.223 31.235 740 HB3 GLU 85 HB1 GLU 85 7.773 -11.802 32.895 741 HG2 GLU 85 HG2 GLU 85 7.788 -9.439 33.667 742 HG3 GLU 85 HG1 GLU 85 7.614 -8.928 31.989 743 HA PRO 86 HA PRO 86 12.148 -14.273 31.993 744 HB2 PRO 86 HB2 PRO 86 11.374 -16.056 33.929 745 HB3 PRO 86 HB1 PRO 86 12.533 -14.750 34.196 746 HG2 PRO 86 HG2 PRO 86 9.607 -14.849 34.843 747 HG3 PRO 86 HG1 PRO 86 10.951 -14.226 35.821 748 HD2 PRO 86 HD2 PRO 86 9.322 -12.588 34.430 749 HD3 PRO 86 HD1 PRO 86 11.049 -12.229 34.642 750 H ALA 87 HN ALA 87 11.051 -14.638 30.000 751 HA ALA 87 HA ALA 87 10.216 -16.079 28.461 752 HB1 ALA 87 HB1 ALA 87 9.826 -18.406 29.045 753 HB2 ALA 87 HB2 ALA 87 9.861 -17.997 30.761 754 HB3 ALA 87 HB3 ALA 87 11.316 -17.815 29.781 755 H HIS 88 HN HIS 88 8.307 -16.438 27.431 756 HA HIS 88 HA HIS 88 5.809 -16.563 28.964 757 HB2 HIS 88 HB2 HIS 88 6.550 -14.426 27.003 758 HB3 HIS 88 HB1 HIS 88 4.879 -14.977 27.044 759 HD1 HIS 88 HD1 HIS 88 3.430 -14.186 28.947 760 HD2 HIS 88 HD2 HIS 88 7.420 -13.130 29.422 761 HE1 HIS 88 HE1 HIS 88 3.472 -12.581 30.866 762 HE2 HIS 88 HE2 HIS 88 5.904 -12.097 31.249 763 H GLN 89 HN GLN 89 7.581 -18.256 27.044 764 HA GLN 89 HA GLN 89 5.936 -18.671 24.717 765 HB2 GLN 89 HB2 GLN 89 8.307 -20.238 25.762 766 HB3 GLN 89 HB1 GLN 89 7.531 -20.512 24.210 767 HG2 GLN 89 HG2 GLN 89 9.485 -19.244 23.802 768 HG3 GLN 89 HG1 GLN 89 8.114 -18.162 23.587 769 HE21 GLN 89 HE21 GLN 89 10.820 -18.986 25.616 770 HE22 GLN 89 HE22 GLN 89 10.858 -17.502 26.499 771 H HIS 90 HN HIS 90 6.083 -20.012 27.891 772 HA HIS 90 HA HIS 90 3.946 -21.919 27.154 773 HB2 HIS 90 HB2 HIS 90 6.157 -23.021 27.731 774 HB3 HIS 90 HB1 HIS 90 5.982 -22.371 29.356 775 HD1 HIS 90 HD1 HIS 90 4.222 -24.725 26.968 776 HD2 HIS 90 HD2 HIS 90 4.485 -23.938 31.041 777 HE1 HIS 90 HE1 HIS 90 2.937 -26.562 28.093 778 HE2 HIS 90 HE2 HIS 90 2.987 -25.985 30.537 779 H GLU 91 HN GLU 91 4.269 -19.084 28.400 780 HA GLU 91 HA GLU 91 3.265 -19.241 31.066 781 HB2 GLU 91 HB2 GLU 91 4.589 -17.352 30.361 782 HB3 GLU 91 HB1 GLU 91 3.456 -16.963 29.081 783 HG2 GLU 91 HG2 GLU 91 2.477 -16.936 31.895 784 HG3 GLU 91 HG1 GLU 91 3.522 -15.624 31.355 785 H ALA 92 HN ALA 92 1.778 -18.731 27.906 786 HA ALA 92 HA ALA 92 -0.903 -18.641 29.103 787 HB1 ALA 92 HB1 ALA 92 -0.038 -18.198 26.241 788 HB2 ALA 92 HB2 ALA 92 -0.368 -16.938 27.430 789 HB3 ALA 92 HB3 ALA 92 -1.672 -17.986 26.874 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 4.671 1.247 -1.089 2 H2 MET 1 HT2 MET 1 4.415 0.531 -2.600 3 H3 MET 1 HT3 MET 1 5.992 0.783 -2.042 4 HA MET 1 HA MET 1 5.638 -0.768 -0.236 5 HB2 MET 1 HB2 MET 1 2.960 -1.232 -1.576 6 HB3 MET 1 HB1 MET 1 3.611 -2.195 -0.256 7 HG2 MET 1 HG2 MET 1 1.992 -0.653 0.606 8 HG3 MET 1 HG1 MET 1 3.594 -0.184 1.174 9 HE1 MET 1 HE1 MET 1 1.731 3.251 0.777 10 HE2 MET 1 HE2 MET 1 2.688 2.245 1.863 11 HE3 MET 1 HE3 MET 1 1.084 1.715 1.355 12 H THR 2 HN THR 2 7.394 -1.748 -1.208 13 HA THR 2 HA THR 2 7.062 -3.285 -3.661 14 HB THR 2 HB THR 2 9.420 -3.904 -3.402 15 HG1 THR 2 HG1 THR 2 10.336 -3.843 -1.504 16 HG21 THR 2 HG21 THR 2 8.905 -0.969 -2.879 17 HG22 THR 2 HG22 THR 2 8.978 -1.760 -4.454 18 HG23 THR 2 HG23 THR 2 10.430 -1.640 -3.459 19 H ALA 3 HN ALA 3 7.147 -3.860 -0.217 20 HA ALA 3 HA ALA 3 6.196 -6.574 -0.586 21 HB1 ALA 3 HB1 ALA 3 7.957 -7.644 0.709 22 HB2 ALA 3 HB2 ALA 3 8.798 -6.102 0.873 23 HB3 ALA 3 HB3 ALA 3 8.636 -6.854 -0.714 24 H ALA 4 HN ALA 4 5.930 -7.654 1.674 25 HA ALA 4 HA ALA 4 4.331 -5.931 3.292 26 HB1 ALA 4 HB1 ALA 4 3.974 -7.894 4.694 27 HB2 ALA 4 HB2 ALA 4 5.280 -8.741 3.866 28 HB3 ALA 4 HB3 ALA 4 3.813 -8.310 2.988 29 HA PRO 5 HA PRO 5 7.182 -4.256 6.228 30 HB2 PRO 5 HB2 PRO 5 5.779 -4.636 8.602 31 HB3 PRO 5 HB1 PRO 5 5.548 -3.288 7.483 32 HG2 PRO 5 HG2 PRO 5 3.981 -5.827 7.745 33 HG3 PRO 5 HG1 PRO 5 3.402 -4.177 7.443 34 HD2 PRO 5 HD2 PRO 5 3.573 -5.980 5.464 35 HD3 PRO 5 HD1 PRO 5 3.958 -4.268 5.180 36 H ALA 6 HN ALA 6 5.659 -7.045 7.912 37 HA ALA 6 HA ALA 6 6.505 -8.899 8.909 38 HB1 ALA 6 HB1 ALA 6 8.495 -9.948 7.987 39 HB2 ALA 6 HB2 ALA 6 8.906 -8.458 7.137 40 HB3 ALA 6 HB3 ALA 6 7.451 -9.351 6.698 41 H SER 7 HN SER 7 9.506 -6.981 8.505 42 HA SER 7 HA SER 7 10.498 -7.565 11.082 43 HB2 SER 7 HB2 SER 7 12.063 -6.895 9.394 44 HB3 SER 7 HB1 SER 7 11.207 -5.377 9.118 45 HG SER 7 HG SER 7 13.081 -6.012 11.011 46 HA PRO 8 HA PRO 8 8.143 -4.899 13.784 47 HB2 PRO 8 HB2 PRO 8 10.766 -4.746 15.222 48 HB3 PRO 8 HB1 PRO 8 9.158 -5.130 15.850 49 HG2 PRO 8 HG2 PRO 8 10.938 -7.064 15.469 50 HG3 PRO 8 HG1 PRO 8 9.229 -7.321 15.067 51 HD2 PRO 8 HD2 PRO 8 11.546 -6.797 13.245 52 HD3 PRO 8 HD1 PRO 8 10.141 -7.858 13.010 53 H GLN 9 HN GLN 9 11.265 -3.992 12.443 54 HA GLN 9 HA GLN 9 11.295 -1.279 13.290 55 HB2 GLN 9 HB2 GLN 9 12.571 -2.350 10.764 56 HB3 GLN 9 HB1 GLN 9 13.100 -0.988 11.742 57 HG2 GLN 9 HG2 GLN 9 13.194 -3.898 12.528 58 HG3 GLN 9 HG1 GLN 9 14.561 -2.900 12.040 59 HE21 GLN 9 HE21 GLN 9 14.126 -4.364 14.514 60 HE22 GLN 9 HE22 GLN 9 14.226 -3.195 15.778 61 H GLN 10 HN GLN 10 10.282 -2.829 10.259 62 HA GLN 10 HA GLN 10 9.249 -0.447 9.088 63 HB2 GLN 10 HB2 GLN 10 8.948 -3.366 8.403 64 HB3 GLN 10 HB1 GLN 10 8.128 -2.101 7.491 65 HG2 GLN 10 HG2 GLN 10 10.276 -1.071 6.956 66 HG3 GLN 10 HG1 GLN 10 11.111 -2.306 7.893 67 HE21 GLN 10 HE21 GLN 10 9.464 -4.478 6.994 68 HE22 GLN 10 HE22 GLN 10 9.870 -4.775 5.348 69 H ILE 11 HN ILE 11 7.841 -2.955 11.126 70 HA ILE 11 HA ILE 11 5.141 -2.177 10.953 71 HB ILE 11 HB ILE 11 6.658 -3.259 13.349 72 HG12 ILE 11 HG12 ILE 11 6.629 -4.748 11.352 73 HG13 ILE 11 HG11 ILE 11 5.755 -5.430 12.719 74 HG21 ILE 11 HG21 ILE 11 4.616 -2.141 14.077 75 HG22 ILE 11 HG22 ILE 11 4.471 -3.889 14.266 76 HG23 ILE 11 HG23 ILE 11 3.673 -3.078 12.917 77 HD11 ILE 11 HD11 ILE 11 4.588 -5.809 10.621 78 HD12 ILE 11 HD12 ILE 11 4.508 -4.070 10.338 79 HD13 ILE 11 HD13 ILE 11 3.639 -4.784 11.697 80 H ARG 12 HN ARG 12 7.774 -0.985 13.034 81 HA ARG 12 HA ARG 12 6.369 0.998 14.432 82 HB2 ARG 12 HB2 ARG 12 8.700 0.242 14.935 83 HB3 ARG 12 HB1 ARG 12 9.257 1.116 13.514 84 HG2 ARG 12 HG2 ARG 12 8.401 3.217 14.538 85 HG3 ARG 12 HG1 ARG 12 7.999 2.295 15.989 86 HD2 ARG 12 HD2 ARG 12 10.390 1.634 16.168 87 HD3 ARG 12 HD1 ARG 12 10.748 2.685 14.797 88 HE ARG 12 HE ARG 12 9.827 3.576 17.450 89 HH11 ARG 12 HH11 ARG 12 11.417 4.215 14.453 90 HH12 ARG 12 HH12 ARG 12 11.887 5.812 14.924 91 HH21 ARG 12 HH21 ARG 12 10.460 5.644 18.029 92 HH22 ARG 12 HH22 ARG 12 11.338 6.607 16.892 93 H ASP 13 HN ASP 13 8.084 1.164 11.319 94 HA ASP 13 HA ASP 13 7.681 3.856 10.701 95 HB2 ASP 13 HB2 ASP 13 9.164 2.326 9.447 96 HB3 ASP 13 HB1 ASP 13 7.754 1.483 8.814 97 H ARG 14 HN ARG 14 5.636 1.053 9.838 98 HA ARG 14 HA ARG 14 3.549 2.477 8.614 99 HB2 ARG 14 HB2 ARG 14 3.837 -0.236 9.806 100 HB3 ARG 14 HB1 ARG 14 2.204 0.348 9.524 101 HG2 ARG 14 HG2 ARG 14 4.346 0.241 7.404 102 HG3 ARG 14 HG1 ARG 14 3.142 -1.023 7.672 103 HD2 ARG 14 HD2 ARG 14 1.355 0.670 7.296 104 HD3 ARG 14 HD1 ARG 14 2.602 1.854 6.907 105 HE ARG 14 HE ARG 14 3.209 0.075 5.115 106 HH11 ARG 14 HH11 ARG 14 0.034 0.966 6.115 107 HH12 ARG 14 HH12 ARG 14 -0.681 0.574 4.595 108 HH21 ARG 14 HH21 ARG 14 2.304 -0.406 3.171 109 HH22 ARG 14 HH22 ARG 14 0.600 -0.187 2.927 110 H LEU 15 HN LEU 15 4.155 1.784 12.008 111 HA LEU 15 HA LEU 15 1.662 2.629 13.043 112 HB2 LEU 15 HB2 LEU 15 3.790 1.459 14.135 113 HB3 LEU 15 HB1 LEU 15 4.216 3.108 14.540 114 HG LEU 15 HG LEU 15 1.764 1.587 15.449 115 HD11 LEU 15 HD11 LEU 15 2.728 1.858 17.668 116 HD12 LEU 15 HD12 LEU 15 4.115 2.702 16.978 117 HD13 LEU 15 HD13 LEU 15 3.836 1.001 16.596 118 HD21 LEU 15 HD21 LEU 15 1.223 3.584 16.792 119 HD22 LEU 15 HD22 LEU 15 1.109 3.888 15.058 120 HD23 LEU 15 HD23 LEU 15 2.506 4.469 15.965 121 H LEU 16 HN LEU 16 4.714 4.373 12.495 122 HA LEU 16 HA LEU 16 3.994 6.839 13.593 123 HB2 LEU 16 HB2 LEU 16 5.928 6.269 11.343 124 HB3 LEU 16 HB1 LEU 16 5.855 7.766 12.253 125 HG LEU 16 HG LEU 16 6.541 5.056 13.416 126 HD11 LEU 16 HD11 LEU 16 8.811 5.910 13.600 127 HD12 LEU 16 HD12 LEU 16 8.326 7.414 12.816 128 HD13 LEU 16 HD13 LEU 16 8.286 5.897 11.917 129 HD21 LEU 16 HD21 LEU 16 6.607 7.806 14.670 130 HD22 LEU 16 HD22 LEU 16 7.160 6.310 15.424 131 HD23 LEU 16 HD23 LEU 16 5.453 6.526 15.041 132 H GLN 17 HN GLN 17 3.478 5.632 10.285 133 HA GLN 17 HA GLN 17 2.499 8.172 9.334 134 HB2 GLN 17 HB2 GLN 17 1.960 6.989 7.261 135 HB3 GLN 17 HB1 GLN 17 3.593 6.631 7.794 136 HG2 GLN 17 HG2 GLN 17 2.835 4.565 7.122 137 HG3 GLN 17 HG1 GLN 17 2.534 4.518 8.856 138 HE21 GLN 17 HE21 GLN 17 0.895 3.034 8.749 139 HE22 GLN 17 HE22 GLN 17 -0.638 3.364 8.036 140 H ALA 18 HN ALA 18 1.094 5.661 11.146 141 HA ALA 18 HA ALA 18 -1.617 6.106 10.166 142 HB1 ALA 18 HB1 ALA 18 -0.883 3.829 10.700 143 HB2 ALA 18 HB2 ALA 18 -2.262 4.319 11.683 144 HB3 ALA 18 HB3 ALA 18 -0.642 4.301 12.382 145 H ILE 19 HN ILE 19 0.396 7.080 12.849 146 HA ILE 19 HA ILE 19 -1.875 8.640 13.925 147 HB ILE 19 HB ILE 19 -1.014 8.427 16.182 148 HG12 ILE 19 HG12 ILE 19 1.117 6.586 15.052 149 HG13 ILE 19 HG11 ILE 19 1.400 8.249 15.553 150 HG21 ILE 19 HG21 ILE 19 -2.587 6.718 15.452 151 HG22 ILE 19 HG22 ILE 19 -1.416 6.031 16.578 152 HG23 ILE 19 HG23 ILE 19 -1.259 5.725 14.847 153 HD11 ILE 19 HD11 ILE 19 2.122 6.688 17.257 154 HD12 ILE 19 HD12 ILE 19 0.502 5.995 17.339 155 HD13 ILE 19 HD13 ILE 19 0.775 7.664 17.842 156 H ASP 20 HN ASP 20 -1.215 10.563 15.162 157 HA ASP 20 HA ASP 20 1.159 11.890 14.033 158 HB2 ASP 20 HB2 ASP 20 0.109 13.975 14.716 159 HB3 ASP 20 HB1 ASP 20 -1.071 13.008 13.834 160 HA PRO 21 HA PRO 21 3.604 11.944 17.729 161 HB2 PRO 21 HB2 PRO 21 3.769 14.673 18.383 162 HB3 PRO 21 HB1 PRO 21 4.852 13.786 17.308 163 HG2 PRO 21 HG2 PRO 21 2.498 15.498 16.639 164 HG3 PRO 21 HG1 PRO 21 4.042 15.322 15.784 165 HD2 PRO 21 HD2 PRO 21 1.821 14.160 14.860 166 HD3 PRO 21 HD1 PRO 21 3.389 13.330 14.763 167 H GLN 22 HN GLN 22 0.518 13.634 17.964 168 HA GLN 22 HA GLN 22 0.571 13.568 20.879 169 HB2 GLN 22 HB2 GLN 22 -0.515 15.451 19.719 170 HB3 GLN 22 HB1 GLN 22 -1.659 14.344 18.979 171 HG2 GLN 22 HG2 GLN 22 -2.651 15.553 20.847 172 HG3 GLN 22 HG1 GLN 22 -2.607 13.820 21.147 173 HE21 GLN 22 HE21 GLN 22 -1.236 13.021 22.738 174 HE22 GLN 22 HE22 GLN 22 -0.527 14.041 23.940 175 H SER 23 HN SER 23 0.261 11.214 18.707 176 HA SER 23 HA SER 23 -0.374 9.049 18.829 177 HB2 SER 23 HB2 SER 23 -0.734 9.859 21.700 178 HB3 SER 23 HB1 SER 23 -1.222 8.253 21.167 179 HG SER 23 HG SER 23 0.813 7.705 20.828 180 H ASN 24 HN ASN 24 -2.286 10.715 17.666 181 HA ASN 24 HA ASN 24 -4.825 9.500 18.581 182 HB2 ASN 24 HB2 ASN 24 -4.480 11.735 16.564 183 HB3 ASN 24 HB1 ASN 24 -5.982 11.196 17.311 184 HD21 ASN 24 HD21 ASN 24 -2.949 12.799 17.853 185 HD22 ASN 24 HD22 ASN 24 -3.425 13.644 19.279 186 H ILE 25 HN ILE 25 -5.891 8.032 17.306 187 HA ILE 25 HA ILE 25 -4.537 6.810 15.124 188 HB ILE 25 HB ILE 25 -7.447 6.513 15.921 189 HG12 ILE 25 HG12 ILE 25 -5.943 5.962 17.785 190 HG13 ILE 25 HG11 ILE 25 -6.707 4.507 17.156 191 HG21 ILE 25 HG21 ILE 25 -5.677 4.762 14.205 192 HG22 ILE 25 HG22 ILE 25 -7.078 5.691 13.673 193 HG23 ILE 25 HG23 ILE 25 -7.290 4.324 14.764 194 HD11 ILE 25 HD11 ILE 25 -3.894 5.420 16.589 195 HD12 ILE 25 HD12 ILE 25 -4.656 3.971 15.931 196 HD13 ILE 25 HD13 ILE 25 -4.378 4.111 17.667 197 H ARG 26 HN ARG 26 -4.165 8.202 13.425 198 HA ARG 26 HA ARG 26 -6.202 9.996 12.455 199 HB2 ARG 26 HB2 ARG 26 -3.433 9.332 11.457 200 HB3 ARG 26 HB1 ARG 26 -4.490 10.485 10.653 201 HG2 ARG 26 HG2 ARG 26 -4.571 11.757 12.836 202 HG3 ARG 26 HG1 ARG 26 -3.277 10.691 13.401 203 HD2 ARG 26 HD2 ARG 26 -2.486 12.871 12.431 204 HD3 ARG 26 HD1 ARG 26 -1.806 11.433 11.663 205 HE ARG 26 HE ARG 26 -4.119 12.844 10.497 206 HH11 ARG 26 HH11 ARG 26 -0.885 11.688 10.205 207 HH12 ARG 26 HH12 ARG 26 -0.870 11.848 8.485 208 HH21 ARG 26 HH21 ARG 26 -4.091 13.028 8.298 209 HH22 ARG 26 HH22 ARG 26 -2.662 12.601 7.418 210 H ASN 27 HN ASN 27 -4.733 6.987 11.258 211 HA ASN 27 HA ASN 27 -6.790 6.941 9.127 212 HB2 ASN 27 HB2 ASN 27 -4.404 7.355 8.366 213 HB3 ASN 27 HB1 ASN 27 -4.029 5.723 8.907 214 HD21 ASN 27 HD21 ASN 27 -3.886 6.851 6.251 215 HD22 ASN 27 HD22 ASN 27 -4.917 5.888 5.253 216 H MET 28 HN MET 28 -8.283 5.532 9.868 217 HA MET 28 HA MET 28 -7.744 3.387 11.622 218 HB2 MET 28 HB2 MET 28 -9.950 4.506 11.429 219 HB3 MET 28 HB1 MET 28 -10.170 3.766 9.849 220 HG2 MET 28 HG2 MET 28 -10.146 1.553 10.856 221 HG3 MET 28 HG1 MET 28 -9.850 2.261 12.443 222 HE1 MET 28 HE1 MET 28 -12.241 3.527 9.566 223 HE2 MET 28 HE2 MET 28 -13.772 2.803 10.057 224 HE3 MET 28 HE3 MET 28 -12.440 1.775 9.523 225 H VAL 29 HN VAL 29 -8.240 3.450 8.093 226 HA VAL 29 HA VAL 29 -8.138 0.653 7.706 227 HB VAL 29 HB VAL 29 -7.322 2.824 5.752 228 HG11 VAL 29 HG11 VAL 29 -6.502 0.619 5.081 229 HG12 VAL 29 HG12 VAL 29 -7.797 1.159 4.013 230 HG13 VAL 29 HG13 VAL 29 -8.126 -0.048 5.257 231 HG21 VAL 29 HG21 VAL 29 -9.608 2.633 4.880 232 HG22 VAL 29 HG22 VAL 29 -9.604 3.141 6.570 233 HG23 VAL 29 HG23 VAL 29 -9.999 1.473 6.153 234 H ALA 30 HN ALA 30 -5.567 3.116 7.561 235 HA ALA 30 HA ALA 30 -3.476 1.381 6.801 236 HB1 ALA 30 HB1 ALA 30 -1.966 3.166 7.468 237 HB2 ALA 30 HB2 ALA 30 -3.271 3.968 8.343 238 HB3 ALA 30 HB3 ALA 30 -3.347 3.819 6.587 239 H VAL 31 HN VAL 31 -4.535 2.431 10.058 240 HA VAL 31 HA VAL 31 -2.520 1.018 11.456 241 HB VAL 31 HB VAL 31 -3.923 2.804 12.495 242 HG11 VAL 31 HG11 VAL 31 -6.114 2.134 11.679 243 HG12 VAL 31 HG12 VAL 31 -6.104 2.231 13.438 244 HG13 VAL 31 HG13 VAL 31 -6.040 0.657 12.643 245 HG21 VAL 31 HG21 VAL 31 -4.027 1.773 14.711 246 HG22 VAL 31 HG22 VAL 31 -2.548 1.315 13.866 247 HG23 VAL 31 HG23 VAL 31 -3.887 0.173 13.982 248 H LEU 32 HN LEU 32 -5.761 0.049 10.360 249 HA LEU 32 HA LEU 32 -5.847 -2.495 11.540 250 HB2 LEU 32 HB2 LEU 32 -7.055 -1.464 8.974 251 HB3 LEU 32 HB1 LEU 32 -7.376 -3.072 9.596 252 HG LEU 32 HG LEU 32 -8.018 -0.499 11.051 253 HD11 LEU 32 HD11 LEU 32 -9.431 -0.749 9.096 254 HD12 LEU 32 HD12 LEU 32 -10.360 -1.044 10.565 255 HD13 LEU 32 HD13 LEU 32 -9.835 -2.401 9.568 256 HD21 LEU 32 HD21 LEU 32 -8.653 -3.378 11.709 257 HD22 LEU 32 HD22 LEU 32 -9.308 -1.976 12.555 258 HD23 LEU 32 HD23 LEU 32 -7.576 -2.301 12.601 259 H GLU 33 HN GLU 33 -4.290 -1.407 8.545 260 HA GLU 33 HA GLU 33 -3.424 -3.913 7.600 261 HB2 GLU 33 HB2 GLU 33 -1.974 -1.257 7.421 262 HB3 GLU 33 HB1 GLU 33 -1.615 -2.682 6.458 263 HG2 GLU 33 HG2 GLU 33 -3.934 -2.546 5.531 264 HG3 GLU 33 HG1 GLU 33 -4.113 -1.003 6.367 265 H VAL 34 HN VAL 34 -1.989 -1.696 9.960 266 HA VAL 34 HA VAL 34 0.395 -3.102 10.460 267 HB VAL 34 HB VAL 34 -1.182 -1.415 12.427 268 HG11 VAL 34 HG11 VAL 34 0.510 -2.743 13.554 269 HG12 VAL 34 HG12 VAL 34 1.006 -1.051 13.519 270 HG13 VAL 34 HG13 VAL 34 1.737 -2.206 12.404 271 HG21 VAL 34 HG21 VAL 34 -0.731 -0.167 10.381 272 HG22 VAL 34 HG22 VAL 34 0.977 -0.593 10.473 273 HG23 VAL 34 HG23 VAL 34 0.260 0.446 11.704 274 H ILE 35 HN ILE 35 -2.741 -3.240 12.192 275 HA ILE 35 HA ILE 35 -2.034 -5.276 14.002 276 HB ILE 35 HB ILE 35 -4.690 -4.311 12.963 277 HG12 ILE 35 HG12 ILE 35 -5.016 -3.676 15.344 278 HG13 ILE 35 HG11 ILE 35 -3.428 -4.327 15.722 279 HG21 ILE 35 HG21 ILE 35 -5.053 -6.677 13.255 280 HG22 ILE 35 HG22 ILE 35 -5.826 -5.807 14.581 281 HG23 ILE 35 HG23 ILE 35 -4.292 -6.638 14.846 282 HD11 ILE 35 HD11 ILE 35 -3.971 -2.013 13.877 283 HD12 ILE 35 HD12 ILE 35 -2.385 -2.640 14.327 284 HD13 ILE 35 HD13 ILE 35 -3.420 -1.898 15.547 285 H SER 36 HN SER 36 -3.620 -5.518 10.809 286 HA SER 36 HA SER 36 -4.054 -8.284 10.806 287 HB2 SER 36 HB2 SER 36 -5.080 -6.833 9.130 288 HB3 SER 36 HB1 SER 36 -3.498 -6.472 8.439 289 HG SER 36 HG SER 36 -4.107 -8.095 7.183 290 H SER 37 HN SER 37 -1.245 -6.472 9.553 291 HA SER 37 HA SER 37 0.234 -8.789 8.815 292 HB2 SER 37 HB2 SER 37 2.191 -7.281 8.698 293 HB3 SER 37 HB1 SER 37 0.794 -6.599 7.871 294 HG SER 37 HG SER 37 0.448 -5.255 9.653 295 H LEU 38 HN LEU 38 0.073 -6.863 11.771 296 HA LEU 38 HA LEU 38 2.175 -8.009 13.210 297 HB2 LEU 38 HB2 LEU 38 0.933 -5.977 13.875 298 HB3 LEU 38 HB1 LEU 38 -0.462 -6.965 14.258 299 HG LEU 38 HG LEU 38 0.898 -8.107 16.023 300 HD11 LEU 38 HD11 LEU 38 3.115 -7.672 15.103 301 HD12 LEU 38 HD12 LEU 38 2.983 -7.073 16.755 302 HD13 LEU 38 HD13 LEU 38 2.911 -5.945 15.399 303 HD21 LEU 38 HD21 LEU 38 0.648 -5.109 16.297 304 HD22 LEU 38 HD22 LEU 38 0.789 -6.264 17.622 305 HD23 LEU 38 HD23 LEU 38 -0.634 -6.284 16.583 306 H GLU 39 HN GLU 39 -1.141 -9.137 12.736 307 HA GLU 39 HA GLU 39 -1.168 -11.233 14.608 308 HB2 GLU 39 HB2 GLU 39 -2.556 -11.055 11.920 309 HB3 GLU 39 HB1 GLU 39 -2.914 -12.260 13.150 310 HG2 GLU 39 HG2 GLU 39 -3.574 -10.447 14.692 311 HG3 GLU 39 HG1 GLU 39 -3.285 -9.278 13.405 312 H LYS 40 HN LYS 40 0.295 -11.006 11.437 313 HA LYS 40 HA LYS 40 1.062 -13.846 11.475 314 HB2 LYS 40 HB2 LYS 40 1.619 -11.763 9.351 315 HB3 LYS 40 HB1 LYS 40 1.812 -13.503 9.196 316 HG2 LYS 40 HG2 LYS 40 -0.599 -13.804 9.360 317 HG3 LYS 40 HG1 LYS 40 -0.813 -12.064 9.579 318 HD2 LYS 40 HD2 LYS 40 0.214 -11.691 7.356 319 HD3 LYS 40 HD1 LYS 40 0.331 -13.437 7.139 320 HE2 LYS 40 HE2 LYS 40 -2.122 -13.602 7.314 321 HE3 LYS 40 HE1 LYS 40 -2.215 -11.848 7.481 322 HZ1 LYS 40 HZ1 LYS 40 -1.164 -13.325 5.126 323 HZ2 LYS 40 HZ2 LYS 40 -1.198 -11.640 5.284 324 HZ3 LYS 40 HZ3 LYS 40 -2.647 -12.511 5.216 325 H TYR 41 HN TYR 41 2.346 -10.716 12.147 326 HA TYR 41 HA TYR 41 5.039 -11.838 12.530 327 HB2 TYR 41 HB2 TYR 41 4.546 -9.149 11.222 328 HB3 TYR 41 HB1 TYR 41 6.103 -9.918 11.500 329 HD1 TYR 41 HD1 TYR 41 3.332 -9.553 9.239 330 HD2 TYR 41 HD2 TYR 41 6.630 -12.068 10.221 331 HE1 TYR 41 HE1 TYR 41 3.205 -10.583 7.011 332 HE2 TYR 41 HE2 TYR 41 6.508 -13.099 7.993 333 HH TYR 41 HH TYR 41 4.618 -11.797 5.453 334 HA PRO 42 HA PRO 42 3.802 -9.378 16.243 335 HB2 PRO 42 HB2 PRO 42 4.743 -11.107 18.097 336 HB3 PRO 42 HB1 PRO 42 3.165 -11.314 17.327 337 HG2 PRO 42 HG2 PRO 42 5.764 -12.669 16.707 338 HG3 PRO 42 HG1 PRO 42 4.137 -13.365 16.809 339 HD2 PRO 42 HD2 PRO 42 5.349 -12.722 14.443 340 HD3 PRO 42 HD1 PRO 42 3.587 -12.712 14.671 341 H ILE 43 HN ILE 43 5.067 -7.983 17.402 342 HA ILE 43 HA ILE 43 7.733 -7.508 16.637 343 HB ILE 43 HB ILE 43 6.298 -6.511 19.113 344 HG12 ILE 43 HG12 ILE 43 6.534 -5.230 16.372 345 HG13 ILE 43 HG11 ILE 43 5.097 -6.044 16.979 346 HG21 ILE 43 HG21 ILE 43 7.885 -4.620 18.995 347 HG22 ILE 43 HG22 ILE 43 8.727 -5.431 17.673 348 HG23 ILE 43 HG23 ILE 43 8.693 -6.162 19.278 349 HD11 ILE 43 HD11 ILE 43 4.890 -4.382 18.743 350 HD12 ILE 43 HD12 ILE 43 4.905 -3.629 17.148 351 HD13 ILE 43 HD13 ILE 43 6.346 -3.575 18.162 352 H THR 44 HN THR 44 9.639 -8.278 17.371 353 HA THR 44 HA THR 44 9.624 -10.387 19.351 354 HB THR 44 HB THR 44 12.091 -9.317 17.971 355 HG1 THR 44 HG1 THR 44 10.809 -11.472 16.788 356 HG21 THR 44 HG21 THR 44 12.406 -10.997 19.753 357 HG22 THR 44 HG22 THR 44 12.851 -11.636 18.171 358 HG23 THR 44 HG23 THR 44 11.314 -12.093 18.907 359 H LYS 45 HN LYS 45 11.435 -10.434 21.057 360 HA LYS 45 HA LYS 45 10.541 -8.625 22.961 361 HB2 LYS 45 HB2 LYS 45 12.159 -9.626 24.463 362 HB3 LYS 45 HB1 LYS 45 11.442 -10.865 23.442 363 HG2 LYS 45 HG2 LYS 45 13.453 -10.770 21.987 364 HG3 LYS 45 HG1 LYS 45 14.174 -9.629 23.122 365 HD2 LYS 45 HD2 LYS 45 13.903 -11.375 24.909 366 HD3 LYS 45 HD1 LYS 45 13.416 -12.505 23.641 367 HE2 LYS 45 HE2 LYS 45 16.068 -11.086 23.907 368 HE3 LYS 45 HE1 LYS 45 15.763 -12.810 24.101 369 HZ1 LYS 45 HZ1 LYS 45 16.721 -12.405 21.964 370 HZ2 LYS 45 HZ2 LYS 45 15.552 -11.244 21.583 371 HZ3 LYS 45 HZ3 LYS 45 15.110 -12.868 21.737 372 H GLU 46 HN GLU 46 13.715 -8.539 21.296 373 HA GLU 46 HA GLU 46 14.714 -6.428 22.927 374 HB2 GLU 46 HB2 GLU 46 16.592 -6.272 21.328 375 HB3 GLU 46 HB1 GLU 46 16.310 -7.905 21.905 376 HG2 GLU 46 HG2 GLU 46 15.356 -6.868 19.240 377 HG3 GLU 46 HG1 GLU 46 16.881 -7.718 19.487 378 H ALA 47 HN ALA 47 12.932 -6.474 19.938 379 HA ALA 47 HA ALA 47 13.501 -3.929 18.946 380 HB1 ALA 47 HB1 ALA 47 11.384 -4.100 17.730 381 HB2 ALA 47 HB2 ALA 47 10.905 -5.458 18.753 382 HB3 ALA 47 HB3 ALA 47 12.289 -5.615 17.669 383 H LEU 48 HN LEU 48 11.286 -4.886 21.543 384 HA LEU 48 HA LEU 48 9.776 -2.522 21.709 385 HB2 LEU 48 HB2 LEU 48 10.571 -4.513 23.836 386 HB3 LEU 48 HB1 LEU 48 9.517 -3.157 24.171 387 HG LEU 48 HG LEU 48 8.163 -5.109 23.878 388 HD11 LEU 48 HD11 LEU 48 7.229 -3.057 22.984 389 HD12 LEU 48 HD12 LEU 48 6.712 -4.447 22.032 390 HD13 LEU 48 HD13 LEU 48 7.973 -3.379 21.417 391 HD21 LEU 48 HD21 LEU 48 8.153 -6.457 21.859 392 HD22 LEU 48 HD22 LEU 48 9.748 -6.474 22.611 393 HD23 LEU 48 HD23 LEU 48 9.459 -5.485 21.178 394 H GLU 49 HN GLU 49 12.787 -3.379 23.464 395 HA GLU 49 HA GLU 49 13.041 -0.766 24.619 396 HB2 GLU 49 HB2 GLU 49 15.052 -3.009 24.373 397 HB3 GLU 49 HB1 GLU 49 15.340 -1.513 25.252 398 HG2 GLU 49 HG2 GLU 49 13.306 -2.076 26.640 399 HG3 GLU 49 HG1 GLU 49 13.335 -3.663 25.876 400 H GLU 50 HN GLU 50 14.462 -2.364 21.812 401 HA GLU 50 HA GLU 50 16.531 -0.545 21.295 402 HB2 GLU 50 HB2 GLU 50 16.375 -2.814 20.336 403 HB3 GLU 50 HB1 GLU 50 15.018 -2.301 19.346 404 HG2 GLU 50 HG2 GLU 50 17.004 -2.373 18.002 405 HG3 GLU 50 HG1 GLU 50 16.499 -0.696 18.193 406 H THR 51 HN THR 51 13.339 -0.752 19.671 407 HA THR 51 HA THR 51 13.762 2.012 18.726 408 HB THR 51 HB THR 51 12.006 1.337 16.941 409 HG1 THR 51 HG1 THR 51 12.593 -1.095 16.558 410 HG21 THR 51 HG21 THR 51 13.768 0.478 15.473 411 HG22 THR 51 HG22 THR 51 14.791 0.164 16.875 412 HG23 THR 51 HG23 THR 51 14.359 1.821 16.452 413 H ARG 52 HN ARG 52 12.171 0.551 21.106 414 HA ARG 52 HA ARG 52 10.650 1.381 22.578 415 HB2 ARG 52 HB2 ARG 52 11.776 3.533 21.923 416 HB3 ARG 52 HB1 ARG 52 10.477 3.798 20.771 417 HG2 ARG 52 HG2 ARG 52 8.863 3.996 22.516 418 HG3 ARG 52 HG1 ARG 52 10.028 3.456 23.729 419 HD2 ARG 52 HD2 ARG 52 10.240 5.994 22.103 420 HD3 ARG 52 HD1 ARG 52 9.696 5.898 23.778 421 HE ARG 52 HE ARG 52 12.061 4.801 24.049 422 HH11 ARG 52 HH11 ARG 52 11.236 7.554 22.142 423 HH12 ARG 52 HH12 ARG 52 12.810 8.251 22.283 424 HH21 ARG 52 HH21 ARG 52 14.055 5.701 24.217 425 HH22 ARG 52 HH22 ARG 52 14.382 7.225 23.469 426 H LEU 53 HN LEU 53 9.695 -0.382 20.600 427 HA LEU 53 HA LEU 53 7.211 0.484 19.517 428 HB2 LEU 53 HB2 LEU 53 8.510 -2.175 19.921 429 HB3 LEU 53 HB1 LEU 53 6.799 -2.130 19.544 430 HG LEU 53 HG LEU 53 8.128 -2.475 17.530 431 HD11 LEU 53 HD11 LEU 53 6.862 0.266 17.588 432 HD12 LEU 53 HD12 LEU 53 6.012 -1.262 17.350 433 HD13 LEU 53 HD13 LEU 53 7.180 -0.710 16.152 434 HD21 LEU 53 HD21 LEU 53 9.611 -0.733 16.674 435 HD22 LEU 53 HD22 LEU 53 10.179 -1.353 18.223 436 HD23 LEU 53 HD23 LEU 53 9.366 0.210 18.145 437 H GLY 54 HN GLY 54 8.024 -0.024 22.723 438 HA2 GLY 54 HA2 GLY 54 5.758 -1.231 23.842 439 HA3 GLY 54 HA1 GLY 54 6.767 -0.040 24.645 440 H LYS 55 HN LYS 55 6.239 2.025 22.659 441 HA LYS 55 HA LYS 55 4.046 3.349 23.756 442 HB2 LYS 55 HB2 LYS 55 5.911 4.357 22.398 443 HB3 LYS 55 HB1 LYS 55 5.140 3.718 20.954 444 HG2 LYS 55 HG2 LYS 55 3.118 5.065 21.516 445 HG3 LYS 55 HG1 LYS 55 4.034 5.790 22.839 446 HD2 LYS 55 HD2 LYS 55 5.734 6.532 21.150 447 HD3 LYS 55 HD1 LYS 55 4.647 5.956 19.884 448 HE2 LYS 55 HE2 LYS 55 4.318 8.316 20.131 449 HE3 LYS 55 HE1 LYS 55 2.897 7.498 20.781 450 HZ1 LYS 55 HZ1 LYS 55 5.150 8.594 22.380 451 HZ2 LYS 55 HZ2 LYS 55 3.793 7.803 23.012 452 HZ3 LYS 55 HZ3 LYS 55 3.615 9.288 22.225 453 H LEU 56 HN LEU 56 4.213 1.139 21.014 454 HA LEU 56 HA LEU 56 1.716 1.545 19.835 455 HB2 LEU 56 HB2 LEU 56 3.611 0.078 19.017 456 HB3 LEU 56 HB1 LEU 56 3.101 -1.126 20.178 457 HG LEU 56 HG LEU 56 1.252 -0.121 18.006 458 HD11 LEU 56 HD11 LEU 56 3.255 -0.989 16.921 459 HD12 LEU 56 HD12 LEU 56 1.892 -2.084 16.685 460 HD13 LEU 56 HD13 LEU 56 3.141 -2.475 17.869 461 HD21 LEU 56 HD21 LEU 56 1.279 -2.664 19.645 462 HD22 LEU 56 HD22 LEU 56 0.128 -2.283 18.365 463 HD23 LEU 56 HD23 LEU 56 0.160 -1.314 19.835 464 H ILE 57 HN ILE 57 2.628 -0.372 22.662 465 HA ILE 57 HA ILE 57 0.197 -1.693 23.128 466 HB ILE 57 HB ILE 57 2.229 -0.748 25.171 467 HG12 ILE 57 HG12 ILE 57 1.954 -3.407 23.731 468 HG13 ILE 57 HG11 ILE 57 3.201 -2.201 23.432 469 HG21 ILE 57 HG21 ILE 57 0.073 -2.854 25.407 470 HG22 ILE 57 HG22 ILE 57 0.102 -1.293 26.227 471 HG23 ILE 57 HG23 ILE 57 1.312 -2.514 26.616 472 HD11 ILE 57 HD11 ILE 57 4.052 -2.528 25.705 473 HD12 ILE 57 HD12 ILE 57 4.062 -4.022 24.768 474 HD13 ILE 57 HD13 ILE 57 2.813 -3.753 25.984 475 H ASN 58 HN ASN 58 1.309 1.518 24.153 476 HA ASN 58 HA ASN 58 -0.893 2.150 25.820 477 HB2 ASN 58 HB2 ASN 58 1.213 3.390 25.934 478 HB3 ASN 58 HB1 ASN 58 0.988 3.972 24.289 479 HD21 ASN 58 HD21 ASN 58 0.991 6.116 24.833 480 HD22 ASN 58 HD22 ASN 58 -0.278 6.867 25.729 481 H ASP 59 HN ASP 59 -0.226 2.926 22.403 482 HA ASP 59 HA ASP 59 -2.585 4.421 22.001 483 HB2 ASP 59 HB2 ASP 59 -0.564 3.167 20.171 484 HB3 ASP 59 HB1 ASP 59 -2.021 3.904 19.509 485 H VAL 60 HN VAL 60 -1.882 0.986 21.302 486 HA VAL 60 HA VAL 60 -4.423 0.515 20.069 487 HB VAL 60 HB VAL 60 -2.404 -0.901 19.655 488 HG11 VAL 60 HG11 VAL 60 -1.588 -1.084 21.946 489 HG12 VAL 60 HG12 VAL 60 -1.828 -2.678 21.231 490 HG13 VAL 60 HG13 VAL 60 -3.002 -2.044 22.385 491 HG21 VAL 60 HG21 VAL 60 -4.841 -2.412 20.616 492 HG22 VAL 60 HG22 VAL 60 -3.607 -3.030 19.517 493 HG23 VAL 60 HG23 VAL 60 -4.637 -1.686 19.022 494 H ARG 61 HN ARG 61 -3.311 0.522 23.346 495 HA ARG 61 HA ARG 61 -5.253 -1.196 24.499 496 HB2 ARG 61 HB2 ARG 61 -3.103 -0.661 25.533 497 HB3 ARG 61 HB1 ARG 61 -3.583 1.015 25.704 498 HG2 ARG 61 HG2 ARG 61 -5.299 0.382 27.312 499 HG3 ARG 61 HG1 ARG 61 -4.870 -1.323 27.110 500 HD2 ARG 61 HD2 ARG 61 -2.607 -0.856 27.913 501 HD3 ARG 61 HD1 ARG 61 -3.008 0.851 28.086 502 HE ARG 61 HE ARG 61 -4.807 -0.627 29.624 503 HH11 ARG 61 HH11 ARG 61 -1.450 0.169 29.556 504 HH12 ARG 61 HH12 ARG 61 -1.273 0.004 31.272 505 HH21 ARG 61 HH21 ARG 61 -4.572 -0.775 31.823 506 HH22 ARG 61 HH22 ARG 61 -3.011 -0.520 32.534 507 H LYS 62 HN LYS 62 -5.052 2.374 24.373 508 HA LYS 62 HA LYS 62 -7.732 2.611 25.510 509 HB2 LYS 62 HB2 LYS 62 -5.983 4.099 26.326 510 HB3 LYS 62 HB1 LYS 62 -5.710 4.712 24.702 511 HG2 LYS 62 HG2 LYS 62 -7.982 5.653 24.681 512 HG3 LYS 62 HG1 LYS 62 -8.234 5.055 26.323 513 HD2 LYS 62 HD2 LYS 62 -6.431 6.479 27.139 514 HD3 LYS 62 HD1 LYS 62 -6.096 7.031 25.497 515 HE2 LYS 62 HE2 LYS 62 -8.677 7.469 27.007 516 HE3 LYS 62 HE1 LYS 62 -7.412 8.672 26.768 517 HZ1 LYS 62 HZ1 LYS 62 -7.790 8.581 24.405 518 HZ2 LYS 62 HZ2 LYS 62 -9.246 8.917 25.194 519 HZ3 LYS 62 HZ3 LYS 62 -8.952 7.366 24.590 520 H LYS 63 HN LYS 63 -6.171 3.027 22.379 521 HA LYS 63 HA LYS 63 -8.548 4.435 21.350 522 HB2 LYS 63 HB2 LYS 63 -5.648 4.538 20.561 523 HB3 LYS 63 HB1 LYS 63 -6.918 5.194 19.533 524 HG2 LYS 63 HG2 LYS 63 -7.460 6.876 21.033 525 HG3 LYS 63 HG1 LYS 63 -6.755 6.023 22.406 526 HD2 LYS 63 HD2 LYS 63 -5.153 7.179 20.118 527 HD3 LYS 63 HD1 LYS 63 -5.443 8.009 21.649 528 HE2 LYS 63 HE2 LYS 63 -4.378 6.113 22.833 529 HE3 LYS 63 HE1 LYS 63 -4.020 5.376 21.275 530 HZ1 LYS 63 HZ1 LYS 63 -3.014 8.006 22.195 531 HZ2 LYS 63 HZ2 LYS 63 -2.640 7.256 20.724 532 HZ3 LYS 63 HZ3 LYS 63 -2.127 6.569 22.177 533 H THR 64 HN THR 64 -7.876 1.358 21.373 534 HA THR 64 HA THR 64 -7.718 0.561 18.661 535 HB THR 64 HB THR 64 -7.313 -1.065 20.432 536 HG1 THR 64 HG1 THR 64 -8.335 -2.744 19.424 537 HG21 THR 64 HG21 THR 64 -10.273 -0.871 21.039 538 HG22 THR 64 HG22 THR 64 -8.974 -0.262 22.065 539 HG23 THR 64 HG23 THR 64 -9.129 -1.996 21.778 540 H LYS 65 HN LYS 65 -9.446 -0.512 17.395 541 HA LYS 65 HA LYS 65 -11.582 1.223 16.870 542 HB2 LYS 65 HB2 LYS 65 -10.735 -0.320 15.170 543 HB3 LYS 65 HB1 LYS 65 -11.285 -1.700 16.115 544 HG2 LYS 65 HG2 LYS 65 -13.630 -0.715 15.890 545 HG3 LYS 65 HG1 LYS 65 -12.948 0.345 14.659 546 HD2 LYS 65 HD2 LYS 65 -12.824 -2.674 14.580 547 HD3 LYS 65 HD1 LYS 65 -14.041 -1.708 13.752 548 HE2 LYS 65 HE2 LYS 65 -12.254 -0.601 12.460 549 HE3 LYS 65 HE1 LYS 65 -11.060 -1.619 13.267 550 HZ1 LYS 65 HZ1 LYS 65 -11.641 -2.525 11.110 551 HZ2 LYS 65 HZ2 LYS 65 -13.275 -2.573 11.531 552 HZ3 LYS 65 HZ3 LYS 65 -12.170 -3.568 12.330 553 H ASN 66 HN ASN 66 -11.650 -1.965 18.466 554 HA ASN 66 HA ASN 66 -14.286 -1.276 19.611 555 HB2 ASN 66 HB2 ASN 66 -14.489 -2.955 17.791 556 HB3 ASN 66 HB1 ASN 66 -13.385 -4.014 18.663 557 HD21 ASN 66 HD21 ASN 66 -16.571 -2.676 18.556 558 HD22 ASN 66 HD22 ASN 66 -17.269 -3.718 19.744 559 H GLU 67 HN GLU 67 -14.528 -1.615 21.777 560 HA GLU 67 HA GLU 67 -12.258 -1.950 23.404 561 HB2 GLU 67 HB2 GLU 67 -15.203 -2.078 24.055 562 HB3 GLU 67 HB1 GLU 67 -13.941 -2.127 25.280 563 HG2 GLU 67 HG2 GLU 67 -13.199 0.070 24.713 564 HG3 GLU 67 HG1 GLU 67 -14.244 0.118 23.294 565 H GLU 68 HN GLU 68 -14.812 -4.300 22.535 566 HA GLU 68 HA GLU 68 -13.841 -6.391 24.175 567 HB2 GLU 68 HB2 GLU 68 -15.379 -6.606 21.577 568 HB3 GLU 68 HB1 GLU 68 -15.130 -7.917 22.721 569 HG2 GLU 68 HG2 GLU 68 -16.784 -5.437 23.050 570 HG3 GLU 68 HG1 GLU 68 -17.296 -7.121 23.144 571 H LEU 69 HN LEU 69 -12.921 -5.293 20.979 572 HA LEU 69 HA LEU 69 -11.240 -7.418 20.237 573 HB2 LEU 69 HB2 LEU 69 -11.989 -5.451 18.819 574 HB3 LEU 69 HB1 LEU 69 -10.776 -4.486 19.630 575 HG LEU 69 HG LEU 69 -10.027 -6.982 18.102 576 HD11 LEU 69 HD11 LEU 69 -10.249 -4.174 17.006 577 HD12 LEU 69 HD12 LEU 69 -11.265 -5.549 16.569 578 HD13 LEU 69 HD13 LEU 69 -9.548 -5.562 16.170 579 HD21 LEU 69 HD21 LEU 69 -7.852 -5.866 17.926 580 HD22 LEU 69 HD22 LEU 69 -8.325 -6.067 19.610 581 HD23 LEU 69 HD23 LEU 69 -8.473 -4.488 18.837 582 H ALA 70 HN ALA 70 -10.719 -4.630 22.347 583 HA ALA 70 HA ALA 70 -7.956 -4.856 22.753 584 HB1 ALA 70 HB1 ALA 70 -10.019 -3.902 24.742 585 HB2 ALA 70 HB2 ALA 70 -9.296 -2.921 23.466 586 HB3 ALA 70 HB3 ALA 70 -8.289 -3.551 24.771 587 H LYS 71 HN LYS 71 -10.630 -6.600 24.313 588 HA LYS 71 HA LYS 71 -9.107 -7.921 26.298 589 HB2 LYS 71 HB2 LYS 71 -11.649 -8.747 24.875 590 HB3 LYS 71 HB1 LYS 71 -10.922 -9.713 26.148 591 HG2 LYS 71 HG2 LYS 71 -12.665 -8.455 27.139 592 HG3 LYS 71 HG1 LYS 71 -11.148 -7.731 27.669 593 HD2 LYS 71 HD2 LYS 71 -11.400 -5.922 26.093 594 HD3 LYS 71 HD1 LYS 71 -12.817 -6.688 25.376 595 HE2 LYS 71 HE2 LYS 71 -12.626 -5.689 28.223 596 HE3 LYS 71 HE1 LYS 71 -13.410 -4.834 26.895 597 HZ1 LYS 71 HZ1 LYS 71 -14.214 -7.524 27.861 598 HZ2 LYS 71 HZ2 LYS 71 -15.011 -6.592 26.699 599 HZ3 LYS 71 HZ3 LYS 71 -14.969 -6.082 28.309 600 H ARG 72 HN ARG 72 -9.895 -8.812 22.962 601 HA ARG 72 HA ARG 72 -8.537 -11.309 22.943 602 HB2 ARG 72 HB2 ARG 72 -10.323 -10.537 21.321 603 HB3 ARG 72 HB1 ARG 72 -9.106 -9.514 20.571 604 HG2 ARG 72 HG2 ARG 72 -9.277 -11.481 19.256 605 HG3 ARG 72 HG1 ARG 72 -7.755 -11.590 20.144 606 HD2 ARG 72 HD2 ARG 72 -8.828 -13.061 21.794 607 HD3 ARG 72 HD1 ARG 72 -10.349 -12.951 20.906 608 HE ARG 72 HE ARG 72 -7.898 -14.183 19.819 609 HH11 ARG 72 HH11 ARG 72 -11.332 -14.065 20.151 610 HH12 ARG 72 HH12 ARG 72 -11.576 -15.476 19.184 611 HH21 ARG 72 HH21 ARG 72 -8.232 -15.985 18.582 612 HH22 ARG 72 HH22 ARG 72 -9.844 -16.552 18.312 613 H ALA 73 HN ALA 73 -7.587 -8.021 22.184 614 HA ALA 73 HA ALA 73 -5.103 -8.492 20.968 615 HB1 ALA 73 HB1 ALA 73 -4.624 -6.149 21.444 616 HB2 ALA 73 HB2 ALA 73 -5.977 -6.090 22.573 617 HB3 ALA 73 HB3 ALA 73 -6.275 -6.349 20.855 618 H LYS 74 HN LYS 74 -6.007 -8.464 24.360 619 HA LYS 74 HA LYS 74 -3.614 -7.723 25.547 620 HB2 LYS 74 HB2 LYS 74 -5.752 -8.018 26.764 621 HB3 LYS 74 HB1 LYS 74 -5.574 -9.763 26.624 622 HG2 LYS 74 HG2 LYS 74 -3.469 -9.619 27.915 623 HG3 LYS 74 HG1 LYS 74 -3.731 -7.888 28.110 624 HD2 LYS 74 HD2 LYS 74 -5.665 -10.004 29.067 625 HD3 LYS 74 HD1 LYS 74 -4.400 -9.309 30.076 626 HE2 LYS 74 HE2 LYS 74 -6.381 -8.133 30.606 627 HE3 LYS 74 HE1 LYS 74 -5.433 -7.046 29.596 628 HZ1 LYS 74 HZ1 LYS 74 -7.592 -8.764 28.522 629 HZ2 LYS 74 HZ2 LYS 74 -6.830 -7.458 27.764 630 HZ3 LYS 74 HZ3 LYS 74 -7.858 -7.188 29.075 631 H LYS 75 HN LYS 75 -4.548 -10.976 24.409 632 HA LYS 75 HA LYS 75 -2.348 -12.389 25.430 633 HB2 LYS 75 HB2 LYS 75 -4.274 -12.822 23.205 634 HB3 LYS 75 HB1 LYS 75 -2.790 -13.761 23.155 635 HG2 LYS 75 HG2 LYS 75 -4.625 -14.967 24.242 636 HG3 LYS 75 HG1 LYS 75 -3.256 -14.713 25.324 637 HD2 LYS 75 HD2 LYS 75 -4.439 -12.821 26.364 638 HD3 LYS 75 HD1 LYS 75 -5.810 -13.091 25.284 639 HE2 LYS 75 HE2 LYS 75 -6.092 -15.346 26.241 640 HE3 LYS 75 HE1 LYS 75 -4.747 -15.035 27.341 641 HZ1 LYS 75 HZ1 LYS 75 -7.293 -13.512 27.258 642 HZ2 LYS 75 HZ2 LYS 75 -6.010 -13.227 28.316 643 HZ3 LYS 75 HZ3 LYS 75 -6.877 -14.672 28.412 644 H LEU 76 HN LEU 76 -2.632 -10.461 22.467 645 HA LEU 76 HA LEU 76 -0.086 -11.093 21.393 646 HB2 LEU 76 HB2 LEU 76 -1.696 -8.549 21.085 647 HB3 LEU 76 HB1 LEU 76 -0.337 -9.018 20.080 648 HG LEU 76 HG LEU 76 -2.981 -10.480 20.261 649 HD11 LEU 76 HD11 LEU 76 -3.192 -8.357 19.096 650 HD12 LEU 76 HD12 LEU 76 -3.323 -9.704 17.966 651 HD13 LEU 76 HD13 LEU 76 -1.827 -8.772 18.056 652 HD21 LEU 76 HD21 LEU 76 -2.134 -11.821 18.388 653 HD22 LEU 76 HD22 LEU 76 -1.146 -12.024 19.834 654 HD23 LEU 76 HD23 LEU 76 -0.574 -11.007 18.509 655 H LEU 77 HN LEU 77 -1.180 -8.525 23.591 656 HA LEU 77 HA LEU 77 1.292 -7.219 23.942 657 HB2 LEU 77 HB2 LEU 77 -1.144 -7.487 25.694 658 HB3 LEU 77 HB1 LEU 77 0.271 -6.613 26.245 659 HG LEU 77 HG LEU 77 0.035 -5.014 24.399 660 HD11 LEU 77 HD11 LEU 77 -0.937 -6.473 22.708 661 HD12 LEU 77 HD12 LEU 77 -1.937 -5.041 22.954 662 HD13 LEU 77 HD13 LEU 77 -2.427 -6.588 23.646 663 HD21 LEU 77 HD21 LEU 77 -1.103 -4.555 26.510 664 HD22 LEU 77 HD22 LEU 77 -2.533 -5.416 25.939 665 HD23 LEU 77 HD23 LEU 77 -2.025 -3.926 25.145 666 H ARG 78 HN ARG 78 -0.159 -9.946 25.714 667 HA ARG 78 HA ARG 78 1.820 -10.354 27.646 668 HB2 ARG 78 HB2 ARG 78 0.162 -12.443 26.203 669 HB3 ARG 78 HB1 ARG 78 1.044 -12.710 27.699 670 HG2 ARG 78 HG2 ARG 78 -1.259 -10.794 27.342 671 HG3 ARG 78 HG1 ARG 78 -1.354 -12.396 28.074 672 HD2 ARG 78 HD2 ARG 78 0.322 -11.619 29.773 673 HD3 ARG 78 HD1 ARG 78 0.159 -9.994 29.101 674 HE ARG 78 HE ARG 78 -2.333 -11.211 29.878 675 HH11 ARG 78 HH11 ARG 78 0.336 -9.313 30.962 676 HH12 ARG 78 HH12 ARG 78 -0.544 -8.658 32.295 677 HH21 ARG 78 HH21 ARG 78 -3.434 -10.361 31.596 678 HH22 ARG 78 HH22 ARG 78 -2.650 -9.224 32.639 679 H SER 79 HN SER 79 1.616 -11.456 24.306 680 HA SER 79 HA SER 79 3.839 -13.164 24.254 681 HB2 SER 79 HB2 SER 79 2.722 -11.507 21.970 682 HB3 SER 79 HB1 SER 79 3.779 -12.909 21.810 683 HG SER 79 HG SER 79 1.086 -12.802 22.666 684 H TRP 80 HN TRP 80 3.690 -9.699 24.287 685 HA TRP 80 HA TRP 80 6.502 -9.429 23.496 686 HB2 TRP 80 HB2 TRP 80 4.512 -7.275 24.257 687 HB3 TRP 80 HB1 TRP 80 6.110 -7.015 23.565 688 HD1 TRP 80 HD1 TRP 80 5.198 -9.712 21.515 689 HE1 TRP 80 HE1 TRP 80 3.931 -9.011 19.392 690 HE3 TRP 80 HE3 TRP 80 3.825 -4.986 22.907 691 HZ2 TRP 80 HZ2 TRP 80 2.542 -6.749 18.424 692 HZ3 TRP 80 HZ3 TRP 80 2.530 -3.616 21.324 693 HH2 TRP 80 HH2 TRP 80 1.902 -4.482 19.128 694 H GLN 81 HN GLN 81 4.498 -9.347 26.349 695 HA GLN 81 HA GLN 81 6.097 -7.810 28.067 696 HB2 GLN 81 HB2 GLN 81 4.130 -10.020 28.671 697 HB3 GLN 81 HB1 GLN 81 4.865 -9.009 29.909 698 HG2 GLN 81 HG2 GLN 81 3.154 -7.996 27.639 699 HG3 GLN 81 HG1 GLN 81 2.599 -8.277 29.287 700 HE21 GLN 81 HE21 GLN 81 4.525 -6.242 27.225 701 HE22 GLN 81 HE22 GLN 81 4.724 -4.949 28.354 702 H LYS 82 HN LYS 82 6.663 -11.006 26.922 703 HA LYS 82 HA LYS 82 7.948 -12.154 29.128 704 HB2 LYS 82 HB2 LYS 82 8.683 -13.847 27.696 705 HB3 LYS 82 HB1 LYS 82 7.185 -13.286 26.979 706 HG2 LYS 82 HG2 LYS 82 9.962 -12.548 26.056 707 HG3 LYS 82 HG1 LYS 82 8.901 -13.736 25.300 708 HD2 LYS 82 HD2 LYS 82 7.235 -11.870 24.965 709 HD3 LYS 82 HD1 LYS 82 8.495 -10.752 25.489 710 HE2 LYS 82 HE2 LYS 82 8.391 -10.882 23.051 711 HE3 LYS 82 HE1 LYS 82 9.932 -11.497 23.649 712 HZ1 LYS 82 HZ1 LYS 82 9.060 -13.748 23.420 713 HZ2 LYS 82 HZ2 LYS 82 9.061 -12.935 21.942 714 HZ3 LYS 82 HZ3 LYS 82 7.609 -13.142 22.791 715 H LEU 83 HN LEU 83 9.007 -9.522 27.308 716 HA LEU 83 HA LEU 83 11.822 -9.873 27.540 717 HB2 LEU 83 HB2 LEU 83 10.800 -8.256 26.001 718 HB3 LEU 83 HB1 LEU 83 10.174 -7.343 27.361 719 HG LEU 83 HG LEU 83 12.506 -6.849 28.070 720 HD11 LEU 83 HD11 LEU 83 13.637 -8.768 27.107 721 HD12 LEU 83 HD12 LEU 83 14.348 -7.271 26.504 722 HD13 LEU 83 HD13 LEU 83 13.257 -8.206 25.478 723 HD21 LEU 83 HD21 LEU 83 11.812 -6.038 25.245 724 HD22 LEU 83 HD22 LEU 83 12.990 -5.237 26.284 725 HD23 LEU 83 HD23 LEU 83 11.284 -5.238 26.725 726 H ILE 84 HN ILE 84 9.353 -8.455 29.644 727 HA ILE 84 HA ILE 84 11.379 -7.786 31.662 728 HB ILE 84 HB ILE 84 9.551 -6.635 32.860 729 HG12 ILE 84 HG12 ILE 84 7.867 -7.429 30.465 730 HG13 ILE 84 HG11 ILE 84 7.674 -8.038 32.104 731 HG21 ILE 84 HG21 ILE 84 9.255 -4.793 31.250 732 HG22 ILE 84 HG22 ILE 84 9.848 -5.839 29.959 733 HG23 ILE 84 HG23 ILE 84 10.916 -5.384 31.287 734 HD11 ILE 84 HD11 ILE 84 7.279 -5.184 31.231 735 HD12 ILE 84 HD12 ILE 84 7.068 -5.807 32.869 736 HD13 ILE 84 HD13 ILE 84 6.007 -6.357 31.572 737 H GLU 85 HN GLU 85 8.916 -10.148 31.021 738 HA GLU 85 HA GLU 85 9.290 -11.256 33.735 739 HB2 GLU 85 HB2 GLU 85 6.923 -11.599 31.872 740 HB3 GLU 85 HB1 GLU 85 7.106 -12.395 33.433 741 HG2 GLU 85 HG2 GLU 85 7.221 -10.118 34.481 742 HG3 GLU 85 HG1 GLU 85 6.803 -9.441 32.908 743 HA PRO 86 HA PRO 86 11.671 -14.477 31.920 744 HB2 PRO 86 HB2 PRO 86 10.621 -16.194 34.114 745 HB3 PRO 86 HB1 PRO 86 12.290 -15.800 33.688 746 HG2 PRO 86 HG2 PRO 86 11.149 -14.691 35.824 747 HG3 PRO 86 HG1 PRO 86 12.217 -13.739 34.774 748 HD2 PRO 86 HD2 PRO 86 9.219 -13.764 34.907 749 HD3 PRO 86 HD1 PRO 86 10.329 -12.386 34.741 750 H ALA 87 HN ALA 87 8.259 -14.876 32.304 751 HA ALA 87 HA ALA 87 8.100 -17.478 31.074 752 HB1 ALA 87 HB1 ALA 87 6.381 -16.723 32.648 753 HB2 ALA 87 HB2 ALA 87 5.684 -17.116 31.075 754 HB3 ALA 87 HB3 ALA 87 5.928 -15.430 31.538 755 H HIS 88 HN HIS 88 9.066 -17.436 29.045 756 HA HIS 88 HA HIS 88 8.542 -15.312 27.200 757 HB2 HIS 88 HB2 HIS 88 10.032 -17.912 26.913 758 HB3 HIS 88 HB1 HIS 88 9.784 -16.816 25.555 759 HD1 HIS 88 HD1 HIS 88 11.682 -15.264 25.219 760 HD2 HIS 88 HD2 HIS 88 11.232 -16.288 29.217 761 HE1 HIS 88 HE1 HIS 88 13.532 -14.078 26.430 762 HE2 HIS 88 HE2 HIS 88 13.125 -14.570 28.863 763 H GLN 89 HN GLN 89 6.265 -15.353 27.189 764 HA GLN 89 HA GLN 89 4.776 -17.444 25.946 765 HB2 GLN 89 HB2 GLN 89 4.086 -14.505 26.258 766 HB3 GLN 89 HB1 GLN 89 2.954 -15.793 25.864 767 HG2 GLN 89 HG2 GLN 89 3.279 -16.807 28.031 768 HG3 GLN 89 HG1 GLN 89 4.535 -15.637 28.427 769 HE21 GLN 89 HE21 GLN 89 3.940 -13.520 28.936 770 HE22 GLN 89 HE22 GLN 89 2.321 -13.104 29.357 771 H HIS 90 HN HIS 90 5.212 -18.028 23.904 772 HA HIS 90 HA HIS 90 5.552 -17.995 21.664 773 HB2 HIS 90 HB2 HIS 90 3.472 -16.639 21.651 774 HB3 HIS 90 HB1 HIS 90 4.445 -15.177 21.776 775 HD1 HIS 90 HD1 HIS 90 6.067 -14.701 19.663 776 HD2 HIS 90 HD2 HIS 90 3.087 -17.551 19.098 777 HE1 HIS 90 HE1 HIS 90 5.891 -15.014 17.179 778 HE2 HIS 90 HE2 HIS 90 4.224 -16.867 16.878 779 H GLU 91 HN GLU 91 7.759 -18.138 21.521 780 HA GLU 91 HA GLU 91 9.186 -15.601 21.011 781 HB2 GLU 91 HB2 GLU 91 9.729 -16.846 23.237 782 HB3 GLU 91 HB1 GLU 91 10.571 -17.996 22.208 783 HG2 GLU 91 HG2 GLU 91 12.152 -16.409 23.055 784 HG3 GLU 91 HG1 GLU 91 11.952 -16.135 21.323 785 H ALA 92 HN ALA 92 10.504 -15.574 19.213 786 HA ALA 92 HA ALA 92 10.941 -18.095 17.757 787 HB1 ALA 92 HB1 ALA 92 9.762 -15.631 16.468 788 HB2 ALA 92 HB2 ALA 92 8.877 -17.104 16.866 789 HB3 ALA 92 HB3 ALA 92 10.164 -17.147 15.659 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -1.792 -4.996 1.360 2 H2 MET 1 HT2 MET 1 -2.796 -3.696 0.984 3 H3 MET 1 HT3 MET 1 -2.239 -3.897 2.567 4 HA MET 1 HA MET 1 -0.600 -3.237 0.178 5 HB2 MET 1 HB2 MET 1 -1.261 -1.607 2.645 6 HB3 MET 1 HB1 MET 1 -0.171 -1.108 1.361 7 HG2 MET 1 HG2 MET 1 -2.050 -1.158 -0.225 8 HG3 MET 1 HG1 MET 1 -3.132 -1.587 1.099 9 HE1 MET 1 HE1 MET 1 -4.004 2.184 0.241 10 HE2 MET 1 HE2 MET 1 -4.628 0.537 0.316 11 HE3 MET 1 HE3 MET 1 -3.438 0.975 -0.911 12 H THR 2 HN THR 2 -0.295 -5.444 2.329 13 HA THR 2 HA THR 2 2.017 -4.584 3.843 14 HB THR 2 HB THR 2 0.796 -7.345 3.564 15 HG1 THR 2 HG1 THR 2 0.584 -6.156 6.001 16 HG21 THR 2 HG21 THR 2 3.149 -7.497 4.229 17 HG22 THR 2 HG22 THR 2 2.097 -7.903 5.585 18 HG23 THR 2 HG23 THR 2 2.875 -6.322 5.516 19 H ALA 3 HN ALA 3 3.810 -4.197 2.670 20 HA ALA 3 HA ALA 3 4.622 -6.056 0.544 21 HB1 ALA 3 HB1 ALA 3 5.670 -3.308 1.241 22 HB2 ALA 3 HB2 ALA 3 4.512 -3.687 -0.036 23 HB3 ALA 3 HB3 ALA 3 6.170 -4.282 -0.143 24 H ALA 4 HN ALA 4 4.958 -7.274 2.905 25 HA ALA 4 HA ALA 4 6.399 -8.242 4.383 26 HB1 ALA 4 HB1 ALA 4 8.267 -7.915 2.037 27 HB2 ALA 4 HB2 ALA 4 7.142 -9.249 2.304 28 HB3 ALA 4 HB3 ALA 4 8.510 -9.016 3.394 29 HA PRO 5 HA PRO 5 8.566 -4.251 5.671 30 HB2 PRO 5 HB2 PRO 5 6.875 -4.481 8.072 31 HB3 PRO 5 HB1 PRO 5 7.104 -3.102 6.994 32 HG2 PRO 5 HG2 PRO 5 4.794 -4.490 7.058 33 HG3 PRO 5 HG1 PRO 5 5.417 -3.771 5.560 34 HD2 PRO 5 HD2 PRO 5 5.560 -6.624 6.496 35 HD3 PRO 5 HD1 PRO 5 5.184 -5.987 4.879 36 H ALA 6 HN ALA 6 7.536 -7.071 7.562 37 HA ALA 6 HA ALA 6 8.601 -8.490 8.961 38 HB1 ALA 6 HB1 ALA 6 11.159 -7.348 7.843 39 HB2 ALA 6 HB2 ALA 6 10.213 -8.640 7.103 40 HB3 ALA 6 HB3 ALA 6 10.963 -8.890 8.681 41 H SER 7 HN SER 7 11.014 -5.852 9.140 42 HA SER 7 HA SER 7 11.058 -6.105 12.020 43 HB2 SER 7 HB2 SER 7 12.900 -4.436 11.896 44 HB3 SER 7 HB1 SER 7 13.169 -5.840 10.870 45 HG SER 7 HG SER 7 13.644 -3.931 9.753 46 HA PRO 8 HA PRO 8 8.175 -3.162 13.361 47 HB2 PRO 8 HB2 PRO 8 9.582 -1.878 15.385 48 HB3 PRO 8 HB1 PRO 8 8.759 -3.433 15.537 49 HG2 PRO 8 HG2 PRO 8 11.650 -2.864 14.988 50 HG3 PRO 8 HG1 PRO 8 10.933 -4.070 16.075 51 HD2 PRO 8 HD2 PRO 8 11.882 -4.798 13.698 52 HD3 PRO 8 HD1 PRO 8 10.366 -5.499 14.310 53 H GLN 9 HN GLN 9 11.275 -1.865 12.342 54 HA GLN 9 HA GLN 9 10.791 0.864 12.833 55 HB2 GLN 9 HB2 GLN 9 12.541 -0.388 10.701 56 HB3 GLN 9 HB1 GLN 9 12.581 1.306 11.164 57 HG2 GLN 9 HG2 GLN 9 14.411 0.260 12.239 58 HG3 GLN 9 HG1 GLN 9 13.201 0.554 13.487 59 HE21 GLN 9 HE21 GLN 9 14.080 -1.077 14.809 60 HE22 GLN 9 HE22 GLN 9 13.865 -2.751 14.443 61 H GLN 10 HN GLN 10 10.143 -1.082 9.908 62 HA GLN 10 HA GLN 10 9.005 1.064 8.413 63 HB2 GLN 10 HB2 GLN 10 8.642 -1.929 8.121 64 HB3 GLN 10 HB1 GLN 10 8.015 -0.744 6.983 65 HG2 GLN 10 HG2 GLN 10 10.023 -1.593 6.061 66 HG3 GLN 10 HG1 GLN 10 10.373 0.038 6.628 67 HE21 GLN 10 HE21 GLN 10 10.082 -2.755 8.717 68 HE22 GLN 10 HE22 GLN 10 11.739 -2.807 9.179 69 H ILE 11 HN ILE 11 7.703 -1.230 10.728 70 HA ILE 11 HA ILE 11 4.951 -0.765 10.304 71 HB ILE 11 HB ILE 11 6.521 -1.744 12.681 72 HG12 ILE 11 HG12 ILE 11 5.176 -3.825 12.252 73 HG13 ILE 11 HG11 ILE 11 4.485 -3.035 10.841 74 HG21 ILE 11 HG21 ILE 11 4.691 -0.481 13.650 75 HG22 ILE 11 HG22 ILE 11 4.416 -2.208 13.865 76 HG23 ILE 11 HG23 ILE 11 3.534 -1.324 12.621 77 HD11 ILE 11 HD11 ILE 11 6.266 -4.559 10.231 78 HD12 ILE 11 HD12 ILE 11 7.395 -3.674 11.258 79 HD13 ILE 11 HD13 ILE 11 6.699 -2.894 9.835 80 H ARG 12 HN ARG 12 7.247 0.766 12.576 81 HA ARG 12 HA ARG 12 5.387 2.585 13.678 82 HB2 ARG 12 HB2 ARG 12 7.624 1.981 14.673 83 HB3 ARG 12 HB1 ARG 12 8.376 3.023 13.471 84 HG2 ARG 12 HG2 ARG 12 7.259 4.957 14.357 85 HG3 ARG 12 HG1 ARG 12 6.306 3.959 15.455 86 HD2 ARG 12 HD2 ARG 12 8.054 4.969 16.728 87 HD3 ARG 12 HD1 ARG 12 8.445 3.260 16.551 88 HE ARG 12 HE ARG 12 9.750 4.509 14.488 89 HH11 ARG 12 HH11 ARG 12 9.760 4.765 17.925 90 HH12 ARG 12 HH12 ARG 12 11.391 5.336 17.985 91 HH21 ARG 12 HH21 ARG 12 11.843 5.201 14.574 92 HH22 ARG 12 HH22 ARG 12 12.572 5.558 16.105 93 H ASP 13 HN ASP 13 7.493 2.783 10.861 94 HA ASP 13 HA ASP 13 7.184 5.459 10.167 95 HB2 ASP 13 HB2 ASP 13 8.710 3.907 9.008 96 HB3 ASP 13 HB1 ASP 13 7.329 3.060 8.317 97 H ARG 14 HN ARG 14 5.134 2.689 9.217 98 HA ARG 14 HA ARG 14 3.190 4.212 7.850 99 HB2 ARG 14 HB2 ARG 14 3.011 1.489 9.145 100 HB3 ARG 14 HB1 ARG 14 1.711 2.198 8.196 101 HG2 ARG 14 HG2 ARG 14 3.293 2.353 6.269 102 HG3 ARG 14 HG1 ARG 14 4.471 1.460 7.233 103 HD2 ARG 14 HD2 ARG 14 3.001 -0.449 7.351 104 HD3 ARG 14 HD1 ARG 14 1.705 0.448 6.557 105 HE ARG 14 HE ARG 14 4.192 0.126 5.076 106 HH11 ARG 14 HH11 ARG 14 0.940 -0.907 5.564 107 HH12 ARG 14 HH12 ARG 14 0.839 -1.666 4.020 108 HH21 ARG 14 HH21 ARG 14 4.060 -0.846 3.108 109 HH22 ARG 14 HH22 ARG 14 2.598 -1.652 2.642 110 H LEU 15 HN LEU 15 3.549 3.403 11.251 111 HA LEU 15 HA LEU 15 0.967 4.136 12.116 112 HB2 LEU 15 HB2 LEU 15 3.630 4.135 13.533 113 HB3 LEU 15 HB1 LEU 15 2.111 4.480 14.343 114 HG LEU 15 HG LEU 15 2.635 1.895 12.868 115 HD11 LEU 15 HD11 LEU 15 2.913 2.447 15.818 116 HD12 LEU 15 HD12 LEU 15 4.235 2.128 14.698 117 HD13 LEU 15 HD13 LEU 15 3.047 0.871 15.034 118 HD21 LEU 15 HD21 LEU 15 0.728 1.101 14.234 119 HD22 LEU 15 HD22 LEU 15 0.285 2.407 13.138 120 HD23 LEU 15 HD23 LEU 15 0.520 2.739 14.854 121 H LEU 16 HN LEU 16 3.971 6.086 11.975 122 HA LEU 16 HA LEU 16 2.821 8.404 13.107 123 HB2 LEU 16 HB2 LEU 16 5.313 7.864 11.554 124 HB3 LEU 16 HB1 LEU 16 4.831 9.529 11.809 125 HG LEU 16 HG LEU 16 4.902 9.189 14.247 126 HD11 LEU 16 HD11 LEU 16 5.902 6.421 13.591 127 HD12 LEU 16 HD12 LEU 16 4.358 6.818 14.342 128 HD13 LEU 16 HD13 LEU 16 5.864 7.152 15.195 129 HD21 LEU 16 HD21 LEU 16 6.884 10.029 13.126 130 HD22 LEU 16 HD22 LEU 16 7.429 8.380 12.804 131 HD23 LEU 16 HD23 LEU 16 7.343 8.974 14.464 132 H GLN 17 HN GLN 17 2.877 7.291 9.758 133 HA GLN 17 HA GLN 17 1.924 9.816 8.732 134 HB2 GLN 17 HB2 GLN 17 1.690 8.672 6.586 135 HB3 GLN 17 HB1 GLN 17 3.257 8.349 7.306 136 HG2 GLN 17 HG2 GLN 17 2.681 6.277 6.515 137 HG3 GLN 17 HG1 GLN 17 2.122 6.178 8.181 138 HE21 GLN 17 HE21 GLN 17 0.590 4.605 7.743 139 HE22 GLN 17 HE22 GLN 17 -0.836 4.921 6.825 140 H ALA 18 HN ALA 18 0.440 7.036 10.141 141 HA ALA 18 HA ALA 18 -2.217 7.755 9.115 142 HB1 ALA 18 HB1 ALA 18 -1.555 5.389 9.051 143 HB2 ALA 18 HB2 ALA 18 -2.976 5.650 10.064 144 HB3 ALA 18 HB3 ALA 18 -1.397 5.394 10.809 145 H ILE 19 HN ILE 19 -0.320 7.917 12.032 146 HA ILE 19 HA ILE 19 -2.440 9.419 13.370 147 HB ILE 19 HB ILE 19 -2.200 8.225 15.489 148 HG12 ILE 19 HG12 ILE 19 -0.412 6.291 13.979 149 HG13 ILE 19 HG11 ILE 19 0.125 7.433 15.206 150 HG21 ILE 19 HG21 ILE 19 -3.352 6.142 14.920 151 HG22 ILE 19 HG22 ILE 19 -2.867 6.329 13.234 152 HG23 ILE 19 HG23 ILE 19 -3.967 7.495 13.971 153 HD11 ILE 19 HD11 ILE 19 -1.248 6.263 16.870 154 HD12 ILE 19 HD12 ILE 19 -0.040 5.213 16.130 155 HD13 ILE 19 HD13 ILE 19 -1.728 5.099 15.635 156 H ASP 20 HN ASP 20 -1.653 10.921 14.918 157 HA ASP 20 HA ASP 20 1.229 11.433 14.793 158 HB2 ASP 20 HB2 ASP 20 -1.049 13.067 15.940 159 HB3 ASP 20 HB1 ASP 20 0.641 13.564 15.976 160 HA PRO 21 HA PRO 21 2.498 9.907 18.761 161 HB2 PRO 21 HB2 PRO 21 3.370 12.712 19.366 162 HB3 PRO 21 HB1 PRO 21 4.261 11.193 19.539 163 HG2 PRO 21 HG2 PRO 21 4.770 12.789 17.489 164 HG3 PRO 21 HG1 PRO 21 4.686 11.032 17.247 165 HD2 PRO 21 HD2 PRO 21 2.682 13.141 16.542 166 HD3 PRO 21 HD1 PRO 21 3.120 11.661 15.664 167 H GLN 22 HN GLN 22 0.290 12.579 18.601 168 HA GLN 22 HA GLN 22 -0.338 12.586 21.426 169 HB2 GLN 22 HB2 GLN 22 -0.561 14.597 19.927 170 HB3 GLN 22 HB1 GLN 22 -1.927 13.806 19.155 171 HG2 GLN 22 HG2 GLN 22 -2.961 13.687 21.492 172 HG3 GLN 22 HG1 GLN 22 -1.704 14.824 21.974 173 HE21 GLN 22 HE21 GLN 22 -3.246 14.837 18.828 174 HE22 GLN 22 HE22 GLN 22 -4.089 16.320 19.046 175 H SER 23 HN SER 23 -0.836 10.262 19.264 176 HA SER 23 HA SER 23 -2.072 8.347 19.330 177 HB2 SER 23 HB2 SER 23 -3.124 9.580 21.886 178 HB3 SER 23 HB1 SER 23 -3.507 7.939 21.357 179 HG SER 23 HG SER 23 -1.548 7.293 21.847 180 H ASN 24 HN ASN 24 -3.092 10.624 17.831 181 HA ASN 24 HA ASN 24 -5.993 10.073 17.945 182 HB2 ASN 24 HB2 ASN 24 -6.217 12.210 16.603 183 HB3 ASN 24 HB1 ASN 24 -5.650 12.407 18.259 184 HD21 ASN 24 HD21 ASN 24 -3.475 12.883 18.622 185 HD22 ASN 24 HD22 ASN 24 -2.497 13.599 17.382 186 H ILE 25 HN ILE 25 -7.044 9.261 16.205 187 HA ILE 25 HA ILE 25 -5.449 8.005 14.163 188 HB ILE 25 HB ILE 25 -8.467 8.056 14.421 189 HG12 ILE 25 HG12 ILE 25 -7.398 7.144 16.454 190 HG13 ILE 25 HG11 ILE 25 -8.270 5.901 15.566 191 HG21 ILE 25 HG21 ILE 25 -8.382 6.004 13.061 192 HG22 ILE 25 HG22 ILE 25 -6.637 6.198 12.897 193 HG23 ILE 25 HG23 ILE 25 -7.726 7.399 12.204 194 HD11 ILE 25 HD11 ILE 25 -5.290 6.326 15.568 195 HD12 ILE 25 HD12 ILE 25 -6.148 5.092 14.644 196 HD13 ILE 25 HD13 ILE 25 -6.173 5.052 16.406 197 H ARG 26 HN ARG 26 -4.681 9.326 12.571 198 HA ARG 26 HA ARG 26 -6.259 11.462 11.424 199 HB2 ARG 26 HB2 ARG 26 -3.645 10.233 10.504 200 HB3 ARG 26 HB1 ARG 26 -4.350 11.712 9.868 201 HG2 ARG 26 HG2 ARG 26 -4.006 12.860 11.926 202 HG3 ARG 26 HG1 ARG 26 -3.569 11.365 12.755 203 HD2 ARG 26 HD2 ARG 26 -1.612 12.776 12.187 204 HD3 ARG 26 HD1 ARG 26 -1.546 11.172 11.464 205 HE ARG 26 HE ARG 26 -2.668 12.761 9.539 206 HH11 ARG 26 HH11 ARG 26 0.226 12.939 11.394 207 HH12 ARG 26 HH12 ARG 26 1.148 13.610 10.093 208 HH21 ARG 26 HH21 ARG 26 -1.467 13.640 7.868 209 HH22 ARG 26 HH22 ARG 26 0.201 14.005 8.129 210 H ASN 27 HN ASN 27 -5.139 8.263 10.350 211 HA ASN 27 HA ASN 27 -7.353 8.188 8.413 212 HB2 ASN 27 HB2 ASN 27 -5.202 8.802 7.258 213 HB3 ASN 27 HB1 ASN 27 -4.546 7.246 7.756 214 HD21 ASN 27 HD21 ASN 27 -4.264 6.726 5.555 215 HD22 ASN 27 HD22 ASN 27 -5.603 6.246 4.575 216 H MET 28 HN MET 28 -8.612 6.625 9.250 217 HA MET 28 HA MET 28 -7.704 4.657 11.052 218 HB2 MET 28 HB2 MET 28 -10.008 5.596 10.983 219 HB3 MET 28 HB1 MET 28 -10.306 4.686 9.509 220 HG2 MET 28 HG2 MET 28 -10.016 2.596 10.711 221 HG3 MET 28 HG1 MET 28 -9.627 3.480 12.187 222 HE1 MET 28 HE1 MET 28 -11.449 2.235 13.602 223 HE2 MET 28 HE2 MET 28 -11.825 1.241 12.195 224 HE3 MET 28 HE3 MET 28 -13.123 2.030 13.091 225 H VAL 29 HN VAL 29 -8.664 4.353 7.629 226 HA VAL 29 HA VAL 29 -8.424 1.580 7.408 227 HB VAL 29 HB VAL 29 -9.462 2.937 5.665 228 HG11 VAL 29 HG11 VAL 29 -7.969 4.864 5.697 229 HG12 VAL 29 HG12 VAL 29 -8.113 4.219 4.063 230 HG13 VAL 29 HG13 VAL 29 -6.666 3.888 5.016 231 HG21 VAL 29 HG21 VAL 29 -8.663 0.695 5.078 232 HG22 VAL 29 HG22 VAL 29 -7.099 1.367 4.611 233 HG23 VAL 29 HG23 VAL 29 -8.550 1.793 3.701 234 H ALA 30 HN ALA 30 -5.926 4.070 7.210 235 HA ALA 30 HA ALA 30 -3.867 2.397 6.169 236 HB1 ALA 30 HB1 ALA 30 -2.360 4.228 6.715 237 HB2 ALA 30 HB2 ALA 30 -3.615 4.992 7.690 238 HB3 ALA 30 HB3 ALA 30 -3.826 4.837 5.946 239 H VAL 31 HN VAL 31 -4.623 3.493 9.493 240 HA VAL 31 HA VAL 31 -2.394 2.240 10.698 241 HB VAL 31 HB VAL 31 -3.676 4.022 11.821 242 HG11 VAL 31 HG11 VAL 31 -5.940 3.384 11.244 243 HG12 VAL 31 HG12 VAL 31 -5.772 3.506 12.995 244 HG13 VAL 31 HG13 VAL 31 -5.806 1.921 12.219 245 HG21 VAL 31 HG21 VAL 31 -3.589 3.086 14.079 246 HG22 VAL 31 HG22 VAL 31 -2.200 2.575 13.124 247 HG23 VAL 31 HG23 VAL 31 -3.532 1.457 13.410 248 H LEU 32 HN LEU 32 -5.677 1.081 10.056 249 HA LEU 32 HA LEU 32 -5.601 -1.337 11.452 250 HB2 LEU 32 HB2 LEU 32 -6.993 -0.685 8.850 251 HB3 LEU 32 HB1 LEU 32 -7.314 -2.111 9.820 252 HG LEU 32 HG LEU 32 -7.745 0.739 10.743 253 HD11 LEU 32 HD11 LEU 32 -9.329 0.166 9.005 254 HD12 LEU 32 HD12 LEU 32 -10.140 0.215 10.568 255 HD13 LEU 32 HD13 LEU 32 -9.735 -1.336 9.833 256 HD21 LEU 32 HD21 LEU 32 -8.464 -1.891 12.047 257 HD22 LEU 32 HD22 LEU 32 -8.925 -0.293 12.634 258 HD23 LEU 32 HD23 LEU 32 -7.226 -0.759 12.595 259 H GLU 33 HN GLU 33 -4.249 -0.532 8.284 260 HA GLU 33 HA GLU 33 -3.511 -3.097 7.425 261 HB2 GLU 33 HB2 GLU 33 -2.258 -0.389 6.961 262 HB3 GLU 33 HB1 GLU 33 -1.607 -1.850 6.232 263 HG2 GLU 33 HG2 GLU 33 -4.436 -0.876 5.848 264 HG3 GLU 33 HG1 GLU 33 -3.103 -0.537 4.744 265 H VAL 34 HN VAL 34 -2.009 -0.955 9.763 266 HA VAL 34 HA VAL 34 0.422 -2.407 10.060 267 HB VAL 34 HB VAL 34 -0.949 -0.551 12.024 268 HG11 VAL 34 HG11 VAL 34 1.266 -0.304 13.042 269 HG12 VAL 34 HG12 VAL 34 1.915 -1.508 11.930 270 HG13 VAL 34 HG13 VAL 34 0.701 -1.972 13.122 271 HG21 VAL 34 HG21 VAL 34 -0.473 0.538 9.885 272 HG22 VAL 34 HG22 VAL 34 1.209 0.014 9.984 273 HG23 VAL 34 HG23 VAL 34 0.573 1.165 11.160 274 H ILE 35 HN ILE 35 -2.589 -2.349 11.995 275 HA ILE 35 HA ILE 35 -1.842 -4.210 13.943 276 HB ILE 35 HB ILE 35 -4.561 -3.475 12.856 277 HG12 ILE 35 HG12 ILE 35 -4.826 -2.502 15.152 278 HG13 ILE 35 HG11 ILE 35 -3.160 -2.947 15.495 279 HG21 ILE 35 HG21 ILE 35 -4.724 -5.799 13.567 280 HG22 ILE 35 HG22 ILE 35 -5.584 -4.753 14.693 281 HG23 ILE 35 HG23 ILE 35 -3.999 -5.395 15.122 282 HD11 ILE 35 HD11 ILE 35 -3.361 -0.596 14.941 283 HD12 ILE 35 HD12 ILE 35 -4.068 -1.010 13.379 284 HD13 ILE 35 HD13 ILE 35 -2.396 -1.447 13.733 285 H SER 36 HN SER 36 -3.524 -4.795 10.846 286 HA SER 36 HA SER 36 -3.818 -7.577 11.104 287 HB2 SER 36 HB2 SER 36 -4.053 -7.604 8.635 288 HB3 SER 36 HB1 SER 36 -4.996 -6.311 9.369 289 HG SER 36 HG SER 36 -3.470 -5.935 7.423 290 H SER 37 HN SER 37 -1.133 -5.652 9.846 291 HA SER 37 HA SER 37 0.495 -7.832 9.029 292 HB2 SER 37 HB2 SER 37 1.255 -5.003 9.812 293 HB3 SER 37 HB1 SER 37 2.363 -6.167 9.088 294 HG SER 37 HG SER 37 0.074 -4.951 7.951 295 H LEU 38 HN LEU 38 0.279 -6.039 12.099 296 HA LEU 38 HA LEU 38 2.533 -7.138 13.366 297 HB2 LEU 38 HB2 LEU 38 -0.034 -6.053 14.525 298 HB3 LEU 38 HB1 LEU 38 1.356 -6.490 15.499 299 HG LEU 38 HG LEU 38 1.308 -4.338 13.374 300 HD11 LEU 38 HD11 LEU 38 0.051 -3.680 15.340 301 HD12 LEU 38 HD12 LEU 38 1.574 -2.793 15.272 302 HD13 LEU 38 HD13 LEU 38 1.392 -4.149 16.386 303 HD21 LEU 38 HD21 LEU 38 3.505 -5.375 13.502 304 HD22 LEU 38 HD22 LEU 38 3.517 -5.190 15.256 305 HD23 LEU 38 HD23 LEU 38 3.552 -3.764 14.219 306 H GLU 39 HN GLU 39 -0.744 -8.414 13.076 307 HA GLU 39 HA GLU 39 -0.500 -10.572 14.864 308 HB2 GLU 39 HB2 GLU 39 -2.026 -10.491 12.249 309 HB3 GLU 39 HB1 GLU 39 -2.255 -11.672 13.530 310 HG2 GLU 39 HG2 GLU 39 -2.960 -9.850 15.043 311 HG3 GLU 39 HG1 GLU 39 -2.809 -8.713 13.703 312 H LYS 40 HN LYS 40 0.743 -10.090 11.643 313 HA LYS 40 HA LYS 40 1.692 -12.862 11.456 314 HB2 LYS 40 HB2 LYS 40 1.921 -10.635 9.415 315 HB3 LYS 40 HB1 LYS 40 2.208 -12.349 9.143 316 HG2 LYS 40 HG2 LYS 40 -0.166 -12.812 9.583 317 HG3 LYS 40 HG1 LYS 40 -0.446 -11.089 9.839 318 HD2 LYS 40 HD2 LYS 40 0.308 -10.662 7.510 319 HD3 LYS 40 HD1 LYS 40 0.470 -12.403 7.273 320 HE2 LYS 40 HE2 LYS 40 -2.093 -10.968 7.989 321 HE3 LYS 40 HE1 LYS 40 -1.650 -11.516 6.374 322 HZ1 LYS 40 HZ1 LYS 40 -3.156 -13.040 7.580 323 HZ2 LYS 40 HZ2 LYS 40 -1.933 -13.326 8.712 324 HZ3 LYS 40 HZ3 LYS 40 -1.711 -13.772 7.097 325 H TYR 41 HN TYR 41 2.811 -9.715 12.271 326 HA TYR 41 HA TYR 41 5.592 -10.708 12.390 327 HB2 TYR 41 HB2 TYR 41 4.720 -7.879 11.728 328 HB3 TYR 41 HB1 TYR 41 6.384 -8.408 11.934 329 HD1 TYR 41 HD1 TYR 41 3.866 -7.753 9.576 330 HD2 TYR 41 HD2 TYR 41 7.099 -10.417 10.351 331 HE1 TYR 41 HE1 TYR 41 4.003 -8.276 7.179 332 HE2 TYR 41 HE2 TYR 41 7.239 -10.946 7.955 333 HH TYR 41 HH TYR 41 5.687 -10.891 5.954 334 HA PRO 42 HA PRO 42 4.463 -9.322 16.639 335 HB2 PRO 42 HB2 PRO 42 5.493 -11.409 17.981 336 HB3 PRO 42 HB1 PRO 42 3.911 -11.495 17.195 337 HG2 PRO 42 HG2 PRO 42 6.554 -12.540 16.236 338 HG3 PRO 42 HG1 PRO 42 4.959 -13.317 16.192 339 HD2 PRO 42 HD2 PRO 42 6.093 -12.033 14.041 340 HD3 PRO 42 HD1 PRO 42 4.342 -12.217 14.272 341 H ILE 43 HN ILE 43 5.771 -8.207 18.038 342 HA ILE 43 HA ILE 43 8.522 -7.805 17.105 343 HB ILE 43 HB ILE 43 6.839 -6.092 18.948 344 HG12 ILE 43 HG12 ILE 43 7.421 -5.746 15.991 345 HG13 ILE 43 HG11 ILE 43 5.895 -6.320 16.654 346 HG21 ILE 43 HG21 ILE 43 8.487 -4.334 18.459 347 HG22 ILE 43 HG22 ILE 43 9.431 -5.484 17.514 348 HG23 ILE 43 HG23 ILE 43 9.234 -5.721 19.250 349 HD11 ILE 43 HD11 ILE 43 5.587 -4.176 17.782 350 HD12 ILE 43 HD12 ILE 43 5.758 -3.988 16.037 351 HD13 ILE 43 HD13 ILE 43 7.111 -3.604 17.100 352 H THR 44 HN THR 44 10.315 -7.797 18.496 353 HA THR 44 HA THR 44 10.042 -9.342 20.956 354 HB THR 44 HB THR 44 12.473 -9.369 21.034 355 HG1 THR 44 HG1 THR 44 13.615 -8.251 19.263 356 HG21 THR 44 HG21 THR 44 12.971 -10.466 18.882 357 HG22 THR 44 HG22 THR 44 11.468 -9.828 18.215 358 HG23 THR 44 HG23 THR 44 11.422 -10.993 19.539 359 H LYS 45 HN LYS 45 10.999 -8.596 22.992 360 HA LYS 45 HA LYS 45 10.223 -6.023 23.770 361 HB2 LYS 45 HB2 LYS 45 10.459 -7.848 25.358 362 HB3 LYS 45 HB1 LYS 45 12.187 -7.925 25.067 363 HG2 LYS 45 HG2 LYS 45 11.044 -5.361 26.071 364 HG3 LYS 45 HG1 LYS 45 11.172 -6.718 27.190 365 HD2 LYS 45 HD2 LYS 45 13.578 -6.889 26.700 366 HD3 LYS 45 HD1 LYS 45 13.449 -5.526 25.588 367 HE2 LYS 45 HE2 LYS 45 12.787 -4.067 27.421 368 HE3 LYS 45 HE1 LYS 45 12.832 -5.429 28.541 369 HZ1 LYS 45 HZ1 LYS 45 15.188 -5.633 28.183 370 HZ2 LYS 45 HZ2 LYS 45 14.834 -4.052 28.651 371 HZ3 LYS 45 HZ3 LYS 45 15.170 -4.397 27.031 372 H GLU 46 HN GLU 46 13.378 -7.206 22.684 373 HA GLU 46 HA GLU 46 14.906 -4.918 23.280 374 HB2 GLU 46 HB2 GLU 46 15.904 -7.077 22.669 375 HB3 GLU 46 HB1 GLU 46 15.272 -6.918 21.036 376 HG2 GLU 46 HG2 GLU 46 16.684 -4.946 20.681 377 HG3 GLU 46 HG1 GLU 46 17.312 -5.101 22.322 378 H ALA 47 HN ALA 47 13.220 -5.828 20.268 379 HA ALA 47 HA ALA 47 13.791 -3.407 18.884 380 HB1 ALA 47 HB1 ALA 47 12.095 -4.159 17.292 381 HB2 ALA 47 HB2 ALA 47 11.571 -5.403 18.425 382 HB3 ALA 47 HB3 ALA 47 13.187 -5.475 17.722 383 H LEU 48 HN LEU 48 11.189 -4.439 21.000 384 HA LEU 48 HA LEU 48 9.314 -2.402 20.588 385 HB2 LEU 48 HB2 LEU 48 8.984 -4.503 21.895 386 HB3 LEU 48 HB1 LEU 48 9.989 -3.838 23.166 387 HG LEU 48 HG LEU 48 8.288 -1.972 23.387 388 HD11 LEU 48 HD11 LEU 48 6.663 -3.820 21.636 389 HD12 LEU 48 HD12 LEU 48 7.205 -2.190 21.229 390 HD13 LEU 48 HD13 LEU 48 6.034 -2.431 22.524 391 HD21 LEU 48 HD21 LEU 48 8.426 -3.837 24.967 392 HD22 LEU 48 HD22 LEU 48 7.356 -4.794 23.939 393 HD23 LEU 48 HD23 LEU 48 6.755 -3.329 24.718 394 H GLU 49 HN GLU 49 12.030 -2.598 22.856 395 HA GLU 49 HA GLU 49 11.722 -0.068 24.072 396 HB2 GLU 49 HB2 GLU 49 14.172 -1.813 23.709 397 HB3 GLU 49 HB1 GLU 49 14.127 -0.385 24.732 398 HG2 GLU 49 HG2 GLU 49 12.316 -2.759 25.095 399 HG3 GLU 49 HG1 GLU 49 13.856 -2.558 25.928 400 H GLU 50 HN GLU 50 13.702 -1.118 21.320 401 HA GLU 50 HA GLU 50 15.102 1.257 20.866 402 HB2 GLU 50 HB2 GLU 50 15.687 -0.868 19.801 403 HB3 GLU 50 HB1 GLU 50 14.193 -0.838 18.875 404 HG2 GLU 50 HG2 GLU 50 14.984 1.249 17.774 405 HG3 GLU 50 HG1 GLU 50 16.519 1.064 18.621 406 H THR 51 HN THR 51 11.952 0.212 19.636 407 HA THR 51 HA THR 51 11.683 2.667 18.057 408 HB THR 51 HB THR 51 9.624 1.567 17.146 409 HG1 THR 51 HG1 THR 51 10.487 -0.861 18.281 410 HG21 THR 51 HG21 THR 51 10.823 -0.110 15.810 411 HG22 THR 51 HG22 THR 51 12.172 -0.057 16.948 412 HG23 THR 51 HG23 THR 51 11.776 1.366 15.982 413 H ARG 52 HN ARG 52 10.915 1.772 21.175 414 HA ARG 52 HA ARG 52 9.569 2.635 22.792 415 HB2 ARG 52 HB2 ARG 52 9.703 4.829 20.795 416 HB3 ARG 52 HB1 ARG 52 8.414 4.948 21.981 417 HG2 ARG 52 HG2 ARG 52 10.365 6.176 22.711 418 HG3 ARG 52 HG1 ARG 52 10.049 4.818 23.790 419 HD2 ARG 52 HD2 ARG 52 11.798 3.522 22.581 420 HD3 ARG 52 HD1 ARG 52 12.155 4.965 21.627 421 HE ARG 52 HE ARG 52 12.277 5.524 24.403 422 HH11 ARG 52 HH11 ARG 52 14.046 3.973 21.897 423 HH12 ARG 52 HH12 ARG 52 15.572 4.242 22.656 424 HH21 ARG 52 HH21 ARG 52 14.219 5.855 25.380 425 HH22 ARG 52 HH22 ARG 52 15.669 5.310 24.612 426 H LEU 53 HN LEU 53 8.408 0.840 20.714 427 HA LEU 53 HA LEU 53 5.689 1.684 20.347 428 HB2 LEU 53 HB2 LEU 53 6.962 -1.028 19.974 429 HB3 LEU 53 HB1 LEU 53 5.321 -0.622 19.501 430 HG LEU 53 HG LEU 53 7.859 0.562 18.366 431 HD11 LEU 53 HD11 LEU 53 7.434 -1.689 17.575 432 HD12 LEU 53 HD12 LEU 53 7.154 -0.520 16.286 433 HD13 LEU 53 HD13 LEU 53 5.785 -1.246 17.131 434 HD21 LEU 53 HD21 LEU 53 6.423 1.768 16.801 435 HD22 LEU 53 HD22 LEU 53 6.106 2.260 18.463 436 HD23 LEU 53 HD23 LEU 53 4.990 1.170 17.639 437 H GLY 54 HN GLY 54 7.273 0.644 23.064 438 HA2 GLY 54 HA2 GLY 54 5.491 -1.092 24.344 439 HA3 GLY 54 HA1 GLY 54 6.522 0.069 25.166 440 H LYS 55 HN LYS 55 5.346 2.423 23.974 441 HA LYS 55 HA LYS 55 3.146 3.018 25.579 442 HB2 LYS 55 HB2 LYS 55 4.269 4.843 24.581 443 HB3 LYS 55 HB1 LYS 55 4.164 4.146 22.972 444 HG2 LYS 55 HG2 LYS 55 1.720 4.571 22.980 445 HG3 LYS 55 HG1 LYS 55 1.888 5.349 24.556 446 HD2 LYS 55 HD2 LYS 55 3.254 7.089 23.636 447 HD3 LYS 55 HD1 LYS 55 3.405 6.240 22.098 448 HE2 LYS 55 HE2 LYS 55 1.836 8.078 21.879 449 HE3 LYS 55 HE1 LYS 55 0.987 6.544 21.711 450 HZ1 LYS 55 HZ1 LYS 55 0.120 6.754 23.897 451 HZ2 LYS 55 HZ2 LYS 55 -0.163 8.224 23.110 452 HZ3 LYS 55 HZ3 LYS 55 1.093 8.096 24.237 453 H LEU 56 HN LEU 56 3.269 1.778 22.267 454 HA LEU 56 HA LEU 56 0.553 1.928 21.645 455 HB2 LEU 56 HB2 LEU 56 2.772 0.203 20.605 456 HB3 LEU 56 HB1 LEU 56 1.128 -0.008 20.033 457 HG LEU 56 HG LEU 56 1.115 2.379 19.314 458 HD11 LEU 56 HD11 LEU 56 3.244 3.575 19.128 459 HD12 LEU 56 HD12 LEU 56 4.050 2.283 20.019 460 HD13 LEU 56 HD13 LEU 56 2.814 3.263 20.808 461 HD21 LEU 56 HD21 LEU 56 3.271 0.625 18.142 462 HD22 LEU 56 HD22 LEU 56 2.551 2.027 17.350 463 HD23 LEU 56 HD23 LEU 56 1.558 0.616 17.716 464 H ILE 57 HN ILE 57 2.266 -0.550 23.494 465 HA ILE 57 HA ILE 57 0.371 -2.610 23.325 466 HB ILE 57 HB ILE 57 2.128 -1.845 25.675 467 HG12 ILE 57 HG12 ILE 57 2.524 -3.878 23.457 468 HG13 ILE 57 HG11 ILE 57 3.386 -2.353 23.627 469 HG21 ILE 57 HG21 ILE 57 0.299 -3.253 26.445 470 HG22 ILE 57 HG22 ILE 57 1.814 -4.154 26.466 471 HG23 ILE 57 HG23 ILE 57 0.644 -4.429 25.175 472 HD11 ILE 57 HD11 ILE 57 4.752 -4.213 24.347 473 HD12 ILE 57 HD12 ILE 57 3.529 -4.687 25.523 474 HD13 ILE 57 HD13 ILE 57 4.384 -3.154 25.707 475 H ASN 58 HN ASN 58 0.587 0.040 25.702 476 HA ASN 58 HA ASN 58 -1.996 -0.452 26.854 477 HB2 ASN 58 HB2 ASN 58 -0.360 2.097 26.921 478 HB3 ASN 58 HB1 ASN 58 -1.659 1.647 28.024 479 HD21 ASN 58 HD21 ASN 58 1.651 1.121 27.129 480 HD22 ASN 58 HD22 ASN 58 2.094 0.221 28.532 481 H ASP 59 HN ASP 59 -0.743 1.642 24.337 482 HA ASP 59 HA ASP 59 -2.906 3.472 24.287 483 HB2 ASP 59 HB2 ASP 59 -0.362 3.605 23.514 484 HB3 ASP 59 HB1 ASP 59 -1.055 3.172 21.957 485 H VAL 60 HN VAL 60 -2.097 0.677 22.240 486 HA VAL 60 HA VAL 60 -3.966 1.237 20.188 487 HB VAL 60 HB VAL 60 -1.992 -0.303 19.953 488 HG11 VAL 60 HG11 VAL 60 -2.240 -1.578 22.018 489 HG12 VAL 60 HG12 VAL 60 -2.235 -2.651 20.618 490 HG13 VAL 60 HG13 VAL 60 -3.754 -2.267 21.429 491 HG21 VAL 60 HG21 VAL 60 -4.672 -1.439 19.130 492 HG22 VAL 60 HG22 VAL 60 -3.113 -1.867 18.426 493 HG23 VAL 60 HG23 VAL 60 -3.738 -0.228 18.252 494 H ARG 61 HN ARG 61 -4.247 -0.353 23.276 495 HA ARG 61 HA ARG 61 -6.640 -1.786 22.786 496 HB2 ARG 61 HB2 ARG 61 -5.054 -2.154 24.705 497 HB3 ARG 61 HB1 ARG 61 -5.697 -0.694 25.446 498 HG2 ARG 61 HG2 ARG 61 -7.915 -1.708 25.550 499 HG3 ARG 61 HG1 ARG 61 -7.294 -3.161 24.765 500 HD2 ARG 61 HD2 ARG 61 -6.470 -2.081 27.462 501 HD3 ARG 61 HD1 ARG 61 -7.452 -3.512 27.159 502 HE ARG 61 HE ARG 61 -5.433 -4.466 26.071 503 HH11 ARG 61 HH11 ARG 61 -5.084 -1.887 28.313 504 HH12 ARG 61 HH12 ARG 61 -3.498 -2.372 28.806 505 HH21 ARG 61 HH21 ARG 61 -3.386 -5.089 26.704 506 HH22 ARG 61 HH22 ARG 61 -2.557 -4.181 27.911 507 H LYS 62 HN LYS 62 -6.013 1.524 23.862 508 HA LYS 62 HA LYS 62 -8.869 2.096 24.009 509 HB2 LYS 62 HB2 LYS 62 -8.137 4.398 24.624 510 HB3 LYS 62 HB1 LYS 62 -7.536 3.142 25.696 511 HG2 LYS 62 HG2 LYS 62 -5.377 3.219 24.400 512 HG3 LYS 62 HG1 LYS 62 -6.005 4.652 23.587 513 HD2 LYS 62 HD2 LYS 62 -5.582 4.334 26.565 514 HD3 LYS 62 HD1 LYS 62 -4.559 5.263 25.468 515 HE2 LYS 62 HE2 LYS 62 -6.356 6.809 25.021 516 HE3 LYS 62 HE1 LYS 62 -7.485 5.828 25.956 517 HZ1 LYS 62 HZ1 LYS 62 -5.099 7.210 27.056 518 HZ2 LYS 62 HZ2 LYS 62 -6.211 6.295 27.943 519 HZ3 LYS 62 HZ3 LYS 62 -6.697 7.738 27.212 520 H LYS 63 HN LYS 63 -6.280 2.397 21.711 521 HA LYS 63 HA LYS 63 -7.744 4.231 19.985 522 HB2 LYS 63 HB2 LYS 63 -5.025 3.074 20.038 523 HB3 LYS 63 HB1 LYS 63 -5.687 3.301 18.430 524 HG2 LYS 63 HG2 LYS 63 -4.401 5.218 18.956 525 HG3 LYS 63 HG1 LYS 63 -6.093 5.696 19.005 526 HD2 LYS 63 HD2 LYS 63 -4.784 4.850 21.552 527 HD3 LYS 63 HD1 LYS 63 -4.369 6.425 20.882 528 HE2 LYS 63 HE2 LYS 63 -7.152 5.469 21.556 529 HE3 LYS 63 HE1 LYS 63 -6.183 6.589 22.509 530 HZ1 LYS 63 HZ1 LYS 63 -6.169 8.063 20.513 531 HZ2 LYS 63 HZ2 LYS 63 -7.681 7.867 21.234 532 HZ3 LYS 63 HZ3 LYS 63 -7.315 7.040 19.808 533 H THR 64 HN THR 64 -8.080 1.002 20.592 534 HA THR 64 HA THR 64 -8.063 -0.195 18.040 535 HB THR 64 HB THR 64 -8.003 -1.574 20.047 536 HG1 THR 64 HG1 THR 64 -9.846 -3.017 19.408 537 HG21 THR 64 HG21 THR 64 -10.020 -1.930 21.411 538 HG22 THR 64 HG22 THR 64 -10.866 -0.695 20.480 539 HG23 THR 64 HG23 THR 64 -9.488 -0.250 21.484 540 H LYS 65 HN LYS 65 -9.814 -1.031 16.801 541 HA LYS 65 HA LYS 65 -12.014 0.768 16.362 542 HB2 LYS 65 HB2 LYS 65 -10.981 -0.389 14.486 543 HB3 LYS 65 HB1 LYS 65 -11.334 -1.953 15.210 544 HG2 LYS 65 HG2 LYS 65 -13.768 -1.442 14.967 545 HG3 LYS 65 HG1 LYS 65 -13.321 0.024 14.086 546 HD2 LYS 65 HD2 LYS 65 -12.146 -1.354 12.415 547 HD3 LYS 65 HD1 LYS 65 -12.614 -2.812 13.293 548 HE2 LYS 65 HE2 LYS 65 -15.004 -2.181 12.931 549 HE3 LYS 65 HE1 LYS 65 -14.450 -0.843 11.923 550 HZ1 LYS 65 HZ1 LYS 65 -14.024 -3.740 11.416 551 HZ2 LYS 65 HZ2 LYS 65 -13.348 -2.501 10.485 552 HZ3 LYS 65 HZ3 LYS 65 -15.026 -2.696 10.539 553 H ASN 66 HN ASN 66 -11.585 -2.431 17.776 554 HA ASN 66 HA ASN 66 -14.354 -2.354 18.808 555 HB2 ASN 66 HB2 ASN 66 -14.060 -4.027 16.982 556 HB3 ASN 66 HB1 ASN 66 -12.813 -4.820 17.935 557 HD21 ASN 66 HD21 ASN 66 -15.295 -5.882 16.944 558 HD22 ASN 66 HD22 ASN 66 -16.186 -6.423 18.318 559 H GLU 67 HN GLU 67 -14.422 -2.318 20.978 560 HA GLU 67 HA GLU 67 -12.146 -2.479 22.621 561 HB2 GLU 67 HB2 GLU 67 -15.091 -2.650 23.294 562 HB3 GLU 67 HB1 GLU 67 -13.826 -2.594 24.516 563 HG2 GLU 67 HG2 GLU 67 -13.109 -0.417 23.714 564 HG3 GLU 67 HG1 GLU 67 -14.310 -0.477 22.425 565 H GLU 68 HN GLU 68 -14.608 -4.921 21.857 566 HA GLU 68 HA GLU 68 -13.725 -6.872 23.713 567 HB2 GLU 68 HB2 GLU 68 -15.209 -7.217 21.099 568 HB3 GLU 68 HB1 GLU 68 -15.011 -8.470 22.319 569 HG2 GLU 68 HG2 GLU 68 -16.219 -7.042 23.933 570 HG3 GLU 68 HG1 GLU 68 -16.483 -5.859 22.653 571 H LEU 69 HN LEU 69 -12.860 -6.219 20.351 572 HA LEU 69 HA LEU 69 -11.164 -8.413 19.902 573 HB2 LEU 69 HB2 LEU 69 -12.009 -6.761 18.194 574 HB3 LEU 69 HB1 LEU 69 -10.843 -5.606 18.803 575 HG LEU 69 HG LEU 69 -10.245 -6.835 16.653 576 HD11 LEU 69 HD11 LEU 69 -8.580 -5.607 17.970 577 HD12 LEU 69 HD12 LEU 69 -7.895 -7.032 17.192 578 HD13 LEU 69 HD13 LEU 69 -8.264 -7.061 18.916 579 HD21 LEU 69 HD21 LEU 69 -11.004 -9.060 17.343 580 HD22 LEU 69 HD22 LEU 69 -9.725 -9.118 18.559 581 HD23 LEU 69 HD23 LEU 69 -9.313 -9.069 16.844 582 H ALA 70 HN ALA 70 -10.618 -5.307 21.477 583 HA ALA 70 HA ALA 70 -7.835 -5.450 21.826 584 HB1 ALA 70 HB1 ALA 70 -9.858 -4.134 23.641 585 HB2 ALA 70 HB2 ALA 70 -9.162 -3.415 22.190 586 HB3 ALA 70 HB3 ALA 70 -8.131 -3.785 23.570 587 H LYS 71 HN LYS 71 -10.473 -6.847 23.749 588 HA LYS 71 HA LYS 71 -8.845 -7.793 25.883 589 HB2 LYS 71 HB2 LYS 71 -11.584 -8.539 24.877 590 HB3 LYS 71 HB1 LYS 71 -10.809 -9.506 26.123 591 HG2 LYS 71 HG2 LYS 71 -12.295 -7.912 27.145 592 HG3 LYS 71 HG1 LYS 71 -10.628 -7.499 27.546 593 HD2 LYS 71 HD2 LYS 71 -10.641 -5.767 25.808 594 HD3 LYS 71 HD1 LYS 71 -12.303 -6.188 25.397 595 HE2 LYS 71 HE2 LYS 71 -11.364 -5.134 28.067 596 HE3 LYS 71 HE1 LYS 71 -12.179 -4.189 26.823 597 HZ1 LYS 71 HZ1 LYS 71 -13.741 -4.868 28.498 598 HZ2 LYS 71 HZ2 LYS 71 -13.320 -6.494 28.306 599 HZ3 LYS 71 HZ3 LYS 71 -14.099 -5.672 27.053 600 H ARG 72 HN ARG 72 -9.976 -9.336 22.873 601 HA ARG 72 HA ARG 72 -8.713 -11.828 23.229 602 HB2 ARG 72 HB2 ARG 72 -10.395 -11.524 21.514 603 HB3 ARG 72 HB1 ARG 72 -9.410 -10.314 20.702 604 HG2 ARG 72 HG2 ARG 72 -7.747 -12.009 20.150 605 HG3 ARG 72 HG1 ARG 72 -8.697 -13.232 20.998 606 HD2 ARG 72 HD2 ARG 72 -10.530 -12.931 19.417 607 HD3 ARG 72 HD1 ARG 72 -9.628 -11.656 18.594 608 HE ARG 72 HE ARG 72 -7.920 -13.672 18.377 609 HH11 ARG 72 HH11 ARG 72 -11.323 -13.609 17.810 610 HH12 ARG 72 HH12 ARG 72 -11.251 -14.888 16.649 611 HH21 ARG 72 HH21 ARG 72 -7.847 -15.288 16.892 612 HH22 ARG 72 HH22 ARG 72 -9.307 -15.842 16.145 613 H ALA 73 HN ALA 73 -7.550 -8.823 21.770 614 HA ALA 73 HA ALA 73 -5.020 -9.798 20.923 615 HB1 ALA 73 HB1 ALA 73 -4.445 -7.452 20.586 616 HB2 ALA 73 HB2 ALA 73 -5.865 -6.956 21.508 617 HB3 ALA 73 HB3 ALA 73 -6.061 -7.794 19.969 618 H LYS 74 HN LYS 74 -6.195 -8.596 23.970 619 HA LYS 74 HA LYS 74 -3.966 -7.414 25.085 620 HB2 LYS 74 HB2 LYS 74 -6.201 -7.305 26.050 621 HB3 LYS 74 HB1 LYS 74 -6.144 -9.017 26.439 622 HG2 LYS 74 HG2 LYS 74 -4.352 -8.610 28.042 623 HG3 LYS 74 HG1 LYS 74 -4.362 -6.892 27.630 624 HD2 LYS 74 HD2 LYS 74 -6.614 -6.653 28.479 625 HD3 LYS 74 HD1 LYS 74 -6.741 -8.394 28.745 626 HE2 LYS 74 HE2 LYS 74 -4.807 -6.546 30.149 627 HE3 LYS 74 HE1 LYS 74 -6.318 -7.147 30.829 628 HZ1 LYS 74 HZ1 LYS 74 -5.451 -9.407 30.612 629 HZ2 LYS 74 HZ2 LYS 74 -4.471 -8.458 31.610 630 HZ3 LYS 74 HZ3 LYS 74 -3.984 -8.799 30.027 631 H LYS 75 HN LYS 75 -4.781 -10.892 25.136 632 HA LYS 75 HA LYS 75 -2.594 -11.666 26.760 633 HB2 LYS 75 HB2 LYS 75 -2.994 -13.965 25.818 634 HB3 LYS 75 HB1 LYS 75 -4.374 -13.204 26.585 635 HG2 LYS 75 HG2 LYS 75 -5.329 -14.152 24.717 636 HG3 LYS 75 HG1 LYS 75 -5.027 -12.505 24.165 637 HD2 LYS 75 HD2 LYS 75 -3.017 -13.235 23.002 638 HD3 LYS 75 HD1 LYS 75 -3.220 -14.872 23.631 639 HE2 LYS 75 HE2 LYS 75 -5.159 -13.450 21.798 640 HE3 LYS 75 HE1 LYS 75 -3.977 -14.658 21.295 641 HZ1 LYS 75 HZ1 LYS 75 -6.173 -15.622 21.587 642 HZ2 LYS 75 HZ2 LYS 75 -6.206 -15.128 23.203 643 HZ3 LYS 75 HZ3 LYS 75 -5.081 -16.280 22.694 644 H LEU 76 HN LEU 76 -2.851 -11.152 23.290 645 HA LEU 76 HA LEU 76 -0.511 -12.505 22.483 646 HB2 LEU 76 HB2 LEU 76 -2.308 -11.841 20.947 647 HB3 LEU 76 HB1 LEU 76 -1.900 -10.154 21.190 648 HG LEU 76 HG LEU 76 0.320 -10.557 20.156 649 HD11 LEU 76 HD11 LEU 76 -0.765 -13.316 19.575 650 HD12 LEU 76 HD12 LEU 76 0.547 -12.930 20.688 651 HD13 LEU 76 HD13 LEU 76 0.745 -12.641 18.962 652 HD21 LEU 76 HD21 LEU 76 -2.029 -11.383 18.444 653 HD22 LEU 76 HD22 LEU 76 -0.483 -10.766 17.860 654 HD23 LEU 76 HD23 LEU 76 -1.545 -9.728 18.809 655 H LEU 77 HN LEU 77 -1.016 -9.186 23.583 656 HA LEU 77 HA LEU 77 1.445 -8.072 22.894 657 HB2 LEU 77 HB2 LEU 77 -0.455 -7.490 25.147 658 HB3 LEU 77 HB1 LEU 77 1.052 -6.609 24.991 659 HG LEU 77 HG LEU 77 -0.705 -5.290 24.023 660 HD11 LEU 77 HD11 LEU 77 0.972 -6.534 21.844 661 HD12 LEU 77 HD12 LEU 77 1.434 -5.183 22.880 662 HD13 LEU 77 HD13 LEU 77 0.109 -4.999 21.731 663 HD21 LEU 77 HD21 LEU 77 -1.327 -7.643 22.235 664 HD22 LEU 77 HD22 LEU 77 -2.078 -6.049 22.159 665 HD23 LEU 77 HD23 LEU 77 -2.321 -7.070 23.575 666 H ARG 78 HN ARG 78 0.691 -10.276 25.515 667 HA ARG 78 HA ARG 78 2.993 -9.782 27.110 668 HB2 ARG 78 HB2 ARG 78 1.402 -12.346 26.907 669 HB3 ARG 78 HB1 ARG 78 2.473 -11.884 28.222 670 HG2 ARG 78 HG2 ARG 78 -0.116 -10.525 27.472 671 HG3 ARG 78 HG1 ARG 78 0.144 -11.599 28.845 672 HD2 ARG 78 HD2 ARG 78 0.190 -9.372 29.687 673 HD3 ARG 78 HD1 ARG 78 1.854 -9.952 29.689 674 HE ARG 78 HE ARG 78 1.428 -8.609 27.288 675 HH11 ARG 78 HH11 ARG 78 1.468 -7.848 30.647 676 HH12 ARG 78 HH12 ARG 78 2.046 -6.239 30.385 677 HH21 ARG 78 HH21 ARG 78 2.166 -6.549 26.965 678 HH22 ARG 78 HH22 ARG 78 2.449 -5.517 28.321 679 H SER 79 HN SER 79 2.459 -11.712 24.252 680 HA SER 79 HA SER 79 4.628 -13.468 24.344 681 HB2 SER 79 HB2 SER 79 3.265 -12.174 21.971 682 HB3 SER 79 HB1 SER 79 4.446 -13.474 21.830 683 HG SER 79 HG SER 79 2.860 -14.782 22.175 684 H TRP 80 HN TRP 80 4.631 -10.051 23.798 685 HA TRP 80 HA TRP 80 7.215 -9.967 22.497 686 HB2 TRP 80 HB2 TRP 80 5.559 -7.736 23.713 687 HB3 TRP 80 HB1 TRP 80 6.973 -7.518 22.688 688 HD1 TRP 80 HD1 TRP 80 5.034 -10.281 21.233 689 HE1 TRP 80 HE1 TRP 80 3.571 -9.462 19.286 690 HE3 TRP 80 HE3 TRP 80 5.344 -5.242 22.047 691 HZ2 TRP 80 HZ2 TRP 80 2.668 -7.013 18.228 692 HZ3 TRP 80 HZ3 TRP 80 4.152 -3.728 20.519 693 HH2 TRP 80 HH2 TRP 80 2.842 -4.601 18.647 694 H GLN 81 HN GLN 81 6.005 -9.801 25.751 695 HA GLN 81 HA GLN 81 8.258 -8.423 26.882 696 HB2 GLN 81 HB2 GLN 81 5.971 -9.884 28.215 697 HB3 GLN 81 HB1 GLN 81 7.157 -8.892 29.054 698 HG2 GLN 81 HG2 GLN 81 5.200 -7.938 26.967 699 HG3 GLN 81 HG1 GLN 81 5.084 -7.675 28.706 700 HE21 GLN 81 HE21 GLN 81 5.242 -5.730 26.522 701 HE22 GLN 81 HE22 GLN 81 6.612 -4.742 26.870 702 H LYS 82 HN LYS 82 7.698 -11.684 26.078 703 HA LYS 82 HA LYS 82 8.770 -13.082 28.234 704 HB2 LYS 82 HB2 LYS 82 9.219 -14.908 26.507 705 HB3 LYS 82 HB1 LYS 82 7.569 -14.324 26.633 706 HG2 LYS 82 HG2 LYS 82 8.029 -14.571 24.331 707 HG3 LYS 82 HG1 LYS 82 8.031 -12.841 24.665 708 HD2 LYS 82 HD2 LYS 82 10.537 -12.957 24.804 709 HD3 LYS 82 HD1 LYS 82 10.432 -14.630 24.257 710 HE2 LYS 82 HE2 LYS 82 9.462 -12.198 22.740 711 HE3 LYS 82 HE1 LYS 82 10.928 -13.116 22.397 712 HZ1 LYS 82 HZ1 LYS 82 8.187 -14.226 22.302 713 HZ2 LYS 82 HZ2 LYS 82 9.608 -15.024 21.856 714 HZ3 LYS 82 HZ3 LYS 82 9.052 -13.709 20.950 715 H LEU 83 HN LEU 83 10.507 -11.032 26.185 716 HA LEU 83 HA LEU 83 13.016 -12.429 26.217 717 HB2 LEU 83 HB2 LEU 83 12.325 -10.732 24.507 718 HB3 LEU 83 HB1 LEU 83 12.466 -9.491 25.734 719 HG LEU 83 HG LEU 83 14.839 -11.204 25.005 720 HD11 LEU 83 HD11 LEU 83 15.507 -9.504 23.376 721 HD12 LEU 83 HD12 LEU 83 13.977 -8.661 23.615 722 HD13 LEU 83 HD13 LEU 83 13.991 -10.277 22.907 723 HD21 LEU 83 HD21 LEU 83 15.032 -9.832 27.018 724 HD22 LEU 83 HD22 LEU 83 14.583 -8.396 26.099 725 HD23 LEU 83 HD23 LEU 83 16.097 -9.231 25.750 726 H ILE 84 HN ILE 84 11.502 -9.895 28.169 727 HA ILE 84 HA ILE 84 13.816 -9.912 29.999 728 HB ILE 84 HB ILE 84 13.155 -7.718 29.068 729 HG12 ILE 84 HG12 ILE 84 12.684 -7.945 32.057 730 HG13 ILE 84 HG11 ILE 84 14.262 -7.887 31.279 731 HG21 ILE 84 HG21 ILE 84 10.588 -8.106 30.614 732 HG22 ILE 84 HG22 ILE 84 10.751 -8.115 28.857 733 HG23 ILE 84 HG23 ILE 84 11.080 -6.639 29.766 734 HD11 ILE 84 HD11 ILE 84 12.193 -5.700 31.254 735 HD12 ILE 84 HD12 ILE 84 13.765 -5.639 30.452 736 HD13 ILE 84 HD13 ILE 84 13.674 -5.733 32.211 737 H GLU 85 HN GLU 85 10.503 -10.845 29.753 738 HA GLU 85 HA GLU 85 10.374 -11.331 32.667 739 HB2 GLU 85 HB2 GLU 85 8.123 -10.713 30.739 740 HB3 GLU 85 HB1 GLU 85 7.886 -11.214 32.409 741 HG2 GLU 85 HG2 GLU 85 9.251 -9.204 33.084 742 HG3 GLU 85 HG1 GLU 85 9.144 -8.672 31.406 743 HA PRO 86 HA PRO 86 9.693 -15.677 31.887 744 HB2 PRO 86 HB2 PRO 86 7.997 -16.343 33.904 745 HB3 PRO 86 HB1 PRO 86 9.707 -15.987 34.173 746 HG2 PRO 86 HG2 PRO 86 7.328 -14.189 34.520 747 HG3 PRO 86 HG1 PRO 86 8.704 -14.437 35.614 748 HD2 PRO 86 HD2 PRO 86 8.572 -12.311 33.965 749 HD3 PRO 86 HD1 PRO 86 10.117 -13.099 34.349 750 H ALA 87 HN ALA 87 7.115 -13.405 31.739 751 HA ALA 87 HA ALA 87 4.958 -15.130 31.102 752 HB1 ALA 87 HB1 ALA 87 4.648 -12.795 31.817 753 HB2 ALA 87 HB2 ALA 87 3.823 -13.136 30.296 754 HB3 ALA 87 HB3 ALA 87 5.344 -12.245 30.293 755 H HIS 88 HN HIS 88 5.701 -16.652 29.599 756 HA HIS 88 HA HIS 88 6.691 -15.735 27.013 757 HB2 HIS 88 HB2 HIS 88 6.199 -18.557 27.998 758 HB3 HIS 88 HB1 HIS 88 7.063 -18.105 26.530 759 HD1 HIS 88 HD1 HIS 88 7.699 -19.100 29.880 760 HD2 HIS 88 HD2 HIS 88 9.444 -16.374 27.280 761 HE1 HIS 88 HE1 HIS 88 9.987 -18.666 30.801 762 HE2 HIS 88 HE2 HIS 88 10.968 -16.912 29.299 763 H GLN 89 HN GLN 89 3.888 -17.472 28.318 764 HA GLN 89 HA GLN 89 1.803 -17.873 27.540 765 HB2 GLN 89 HB2 GLN 89 2.412 -15.392 25.925 766 HB3 GLN 89 HB1 GLN 89 0.824 -16.146 25.980 767 HG2 GLN 89 HG2 GLN 89 2.313 -15.073 28.373 768 HG3 GLN 89 HG1 GLN 89 1.029 -14.229 27.508 769 HE21 GLN 89 HE21 GLN 89 1.779 -16.853 29.664 770 HE22 GLN 89 HE22 GLN 89 0.149 -17.196 30.128 771 H HIS 90 HN HIS 90 3.100 -16.660 24.459 772 HA HIS 90 HA HIS 90 3.150 -19.296 23.266 773 HB2 HIS 90 HB2 HIS 90 0.770 -18.884 23.126 774 HB3 HIS 90 HB1 HIS 90 1.036 -17.273 22.469 775 HD1 HIS 90 HD1 HIS 90 2.000 -17.177 19.983 776 HD2 HIS 90 HD2 HIS 90 0.676 -20.910 21.261 777 HE1 HIS 90 HE1 HIS 90 1.721 -18.544 17.899 778 HE2 HIS 90 HE2 HIS 90 0.954 -20.803 18.687 779 H GLU 91 HN GLU 91 5.114 -19.096 22.324 780 HA GLU 91 HA GLU 91 5.491 -17.182 20.188 781 HB2 GLU 91 HB2 GLU 91 6.930 -16.936 22.795 782 HB3 GLU 91 HB1 GLU 91 7.837 -16.613 21.326 783 HG2 GLU 91 HG2 GLU 91 5.246 -15.253 22.027 784 HG3 GLU 91 HG1 GLU 91 6.838 -14.602 22.410 785 H ALA 92 HN ALA 92 7.605 -17.471 19.075 786 HA ALA 92 HA ALA 92 8.928 -20.048 19.516 787 HB1 ALA 92 HB1 ALA 92 7.736 -19.240 16.859 788 HB2 ALA 92 HB2 ALA 92 7.151 -20.532 17.909 789 HB3 ALA 92 HB3 ALA 92 8.736 -20.665 17.148 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 0.513 -0.651 0.133 2 H2 MET 1 HT2 MET 1 1.455 0.079 -1.063 3 H3 MET 1 HT3 MET 1 1.707 0.466 0.564 4 HA MET 1 HA MET 1 2.149 -2.202 -0.654 5 HB2 MET 1 HB2 MET 1 3.803 -0.599 -1.458 6 HB3 MET 1 HB1 MET 1 4.120 -0.058 0.185 7 HG2 MET 1 HG2 MET 1 4.933 -2.353 0.719 8 HG3 MET 1 HG1 MET 1 4.754 -2.763 -0.986 9 HE1 MET 1 HE1 MET 1 6.217 -1.738 -2.923 10 HE2 MET 1 HE2 MET 1 7.404 -0.455 -2.688 11 HE3 MET 1 HE3 MET 1 5.688 -0.120 -2.467 12 H THR 2 HN THR 2 1.599 -3.648 0.910 13 HA THR 2 HA THR 2 1.924 -3.127 3.718 14 HB THR 2 HB THR 2 1.470 -5.786 2.325 15 HG1 THR 2 HG1 THR 2 -0.732 -5.189 3.420 16 HG21 THR 2 HG21 THR 2 1.066 -5.011 5.224 17 HG22 THR 2 HG22 THR 2 2.360 -6.039 4.610 18 HG23 THR 2 HG23 THR 2 0.684 -6.575 4.505 19 H ALA 3 HN ALA 3 3.676 -5.078 1.323 20 HA ALA 3 HA ALA 3 5.750 -6.014 1.278 21 HB1 ALA 3 HB1 ALA 3 7.559 -4.833 2.413 22 HB2 ALA 3 HB2 ALA 3 6.386 -3.946 3.388 23 HB3 ALA 3 HB3 ALA 3 6.456 -3.688 1.645 24 H ALA 4 HN ALA 4 7.657 -6.525 3.274 25 HA ALA 4 HA ALA 4 6.166 -8.223 5.179 26 HB1 ALA 4 HB1 ALA 4 7.606 -9.470 3.625 27 HB2 ALA 4 HB2 ALA 4 8.131 -9.646 5.300 28 HB3 ALA 4 HB3 ALA 4 9.006 -8.570 4.209 29 HA PRO 5 HA PRO 5 8.018 -4.915 7.834 30 HB2 PRO 5 HB2 PRO 5 5.633 -5.449 9.486 31 HB3 PRO 5 HB1 PRO 5 6.195 -3.929 8.786 32 HG2 PRO 5 HG2 PRO 5 4.014 -5.171 7.848 33 HG3 PRO 5 HG1 PRO 5 5.127 -4.311 6.764 34 HD2 PRO 5 HD2 PRO 5 4.943 -7.261 7.329 35 HD3 PRO 5 HD1 PRO 5 5.086 -6.427 5.767 36 H ALA 6 HN ALA 6 8.793 -7.753 7.942 37 HA ALA 6 HA ALA 6 8.579 -8.830 10.527 38 HB1 ALA 6 HB1 ALA 6 9.408 -10.104 8.599 39 HB2 ALA 6 HB2 ALA 6 10.527 -10.178 9.959 40 HB3 ALA 6 HB3 ALA 6 10.876 -9.125 8.586 41 H SER 7 HN SER 7 10.581 -6.286 9.252 42 HA SER 7 HA SER 7 12.023 -5.981 11.767 43 HB2 SER 7 HB2 SER 7 12.993 -3.939 10.545 44 HB3 SER 7 HB1 SER 7 13.410 -5.528 9.911 45 HG SER 7 HG SER 7 12.795 -4.378 8.165 46 HA PRO 8 HA PRO 8 8.539 -3.845 13.571 47 HB2 PRO 8 HB2 PRO 8 10.802 -2.807 15.247 48 HB3 PRO 8 HB1 PRO 8 9.217 -3.417 15.751 49 HG2 PRO 8 HG2 PRO 8 11.311 -4.999 15.957 50 HG3 PRO 8 HG1 PRO 8 9.796 -5.647 15.296 51 HD2 PRO 8 HD2 PRO 8 12.304 -4.843 13.865 52 HD3 PRO 8 HD1 PRO 8 11.219 -6.217 13.556 53 H GLN 9 HN GLN 9 11.378 -2.125 12.425 54 HA GLN 9 HA GLN 9 10.595 0.507 13.044 55 HB2 GLN 9 HB2 GLN 9 12.283 -0.440 10.709 56 HB3 GLN 9 HB1 GLN 9 12.186 1.215 11.288 57 HG2 GLN 9 HG2 GLN 9 14.210 0.325 12.120 58 HG3 GLN 9 HG1 GLN 9 13.101 0.391 13.486 59 HE21 GLN 9 HE21 GLN 9 14.231 -1.202 14.623 60 HE22 GLN 9 HE22 GLN 9 14.206 -2.864 14.150 61 H GLN 10 HN GLN 10 9.737 -1.604 10.369 62 HA GLN 10 HA GLN 10 8.422 0.304 8.744 63 HB2 GLN 10 HB2 GLN 10 8.385 -2.675 8.962 64 HB3 GLN 10 HB1 GLN 10 7.080 -1.908 8.069 65 HG2 GLN 10 HG2 GLN 10 8.874 -2.602 6.585 66 HG3 GLN 10 HG1 GLN 10 8.685 -0.852 6.578 67 HE21 GLN 10 HE21 GLN 10 10.321 -2.693 9.089 68 HE22 GLN 10 HE22 GLN 10 11.895 -2.065 8.764 69 H ILE 11 HN ILE 11 7.301 -1.614 11.503 70 HA ILE 11 HA ILE 11 4.539 -1.079 11.272 71 HB ILE 11 HB ILE 11 6.245 -1.712 13.690 72 HG12 ILE 11 HG12 ILE 11 4.922 -3.868 13.606 73 HG13 ILE 11 HG11 ILE 11 4.247 -3.322 12.076 74 HG21 ILE 11 HG21 ILE 11 4.407 -0.376 14.505 75 HG22 ILE 11 HG22 ILE 11 4.150 -2.061 14.957 76 HG23 ILE 11 HG23 ILE 11 3.245 -1.361 13.614 77 HD11 ILE 11 HD11 ILE 11 6.064 -4.888 11.736 78 HD12 ILE 11 HD12 ILE 11 7.158 -3.841 12.637 79 HD13 ILE 11 HD13 ILE 11 6.485 -3.301 11.100 80 H ARG 12 HN ARG 12 7.104 0.618 13.073 81 HA ARG 12 HA ARG 12 5.462 2.685 14.077 82 HB2 ARG 12 HB2 ARG 12 7.759 2.119 14.916 83 HB3 ARG 12 HB1 ARG 12 8.426 2.864 13.467 84 HG2 ARG 12 HG2 ARG 12 7.528 5.015 14.104 85 HG3 ARG 12 HG1 ARG 12 6.703 4.300 15.489 86 HD2 ARG 12 HD2 ARG 12 8.673 5.367 16.304 87 HD3 ARG 12 HD1 ARG 12 8.956 3.628 16.372 88 HE ARG 12 HE ARG 12 9.958 4.519 13.943 89 HH11 ARG 12 HH11 ARG 12 10.575 4.967 17.299 90 HH12 ARG 12 HH12 ARG 12 12.229 5.406 17.052 91 HH21 ARG 12 HH21 ARG 12 12.095 5.065 13.629 92 HH22 ARG 12 HH22 ARG 12 13.084 5.446 14.996 93 H ASP 13 HN ASP 13 7.407 2.457 11.113 94 HA ASP 13 HA ASP 13 7.076 5.047 10.131 95 HB2 ASP 13 HB2 ASP 13 8.633 3.401 9.171 96 HB3 ASP 13 HB1 ASP 13 7.276 2.451 8.577 97 H ARG 14 HN ARG 14 5.049 2.166 9.493 98 HA ARG 14 HA ARG 14 3.137 3.453 7.872 99 HB2 ARG 14 HB2 ARG 14 3.209 0.895 9.397 100 HB3 ARG 14 HB1 ARG 14 1.635 1.481 8.890 101 HG2 ARG 14 HG2 ARG 14 2.200 0.095 7.152 102 HG3 ARG 14 HG1 ARG 14 2.727 1.657 6.539 103 HD2 ARG 14 HD2 ARG 14 4.694 -0.026 8.022 104 HD3 ARG 14 HD1 ARG 14 4.255 -0.504 6.387 105 HE ARG 14 HE ARG 14 5.168 2.244 6.809 106 HH11 ARG 14 HH11 ARG 14 5.793 -0.934 5.628 107 HH12 ARG 14 HH12 ARG 14 7.167 -0.439 4.702 108 HH21 ARG 14 HH21 ARG 14 6.928 2.861 5.595 109 HH22 ARG 14 HH22 ARG 14 7.799 1.673 4.686 110 H LEU 15 HN LEU 15 3.468 3.332 11.344 111 HA LEU 15 HA LEU 15 0.821 3.780 12.135 112 HB2 LEU 15 HB2 LEU 15 2.666 3.083 13.627 113 HB3 LEU 15 HB1 LEU 15 3.351 4.691 13.513 114 HG LEU 15 HG LEU 15 1.280 5.597 14.578 115 HD11 LEU 15 HD11 LEU 15 0.616 2.678 14.955 116 HD12 LEU 15 HD12 LEU 15 -0.278 3.844 13.978 117 HD13 LEU 15 HD13 LEU 15 -0.217 4.026 15.731 118 HD21 LEU 15 HD21 LEU 15 1.835 4.841 16.839 119 HD22 LEU 15 HD22 LEU 15 3.290 5.166 15.898 120 HD23 LEU 15 HD23 LEU 15 2.770 3.502 16.168 121 H LEU 16 HN LEU 16 3.320 6.144 11.241 122 HA LEU 16 HA LEU 16 2.079 8.411 12.353 123 HB2 LEU 16 HB2 LEU 16 4.178 8.051 10.247 124 HB3 LEU 16 HB1 LEU 16 3.545 9.649 10.587 125 HG LEU 16 HG LEU 16 5.611 9.324 11.801 126 HD11 LEU 16 HD11 LEU 16 4.853 9.768 14.092 127 HD12 LEU 16 HD12 LEU 16 3.231 9.228 13.659 128 HD13 LEU 16 HD13 LEU 16 3.915 10.667 12.903 129 HD21 LEU 16 HD21 LEU 16 5.877 7.598 13.508 130 HD22 LEU 16 HD22 LEU 16 5.606 6.881 11.920 131 HD23 LEU 16 HD23 LEU 16 4.295 6.932 13.097 132 H GLN 17 HN GLN 17 1.495 6.878 9.231 133 HA GLN 17 HA GLN 17 0.060 9.157 8.198 134 HB2 GLN 17 HB2 GLN 17 -0.583 7.674 6.326 135 HB3 GLN 17 HB1 GLN 17 1.147 7.706 6.612 136 HG2 GLN 17 HG2 GLN 17 0.722 5.473 6.198 137 HG3 GLN 17 HG1 GLN 17 0.764 5.549 7.955 138 HE21 GLN 17 HE21 GLN 17 -0.475 3.733 8.233 139 HE22 GLN 17 HE22 GLN 17 -2.155 3.660 7.835 140 H ALA 18 HN ALA 18 -0.727 6.746 10.417 141 HA ALA 18 HA ALA 18 -3.609 6.863 9.822 142 HB1 ALA 18 HB1 ALA 18 -2.634 4.638 10.043 143 HB2 ALA 18 HB2 ALA 18 -3.828 4.942 11.304 144 HB3 ALA 18 HB3 ALA 18 -2.106 5.023 11.681 145 H ILE 19 HN ILE 19 -1.258 7.867 12.222 146 HA ILE 19 HA ILE 19 -3.374 9.322 13.652 147 HB ILE 19 HB ILE 19 -2.549 8.716 15.853 148 HG12 ILE 19 HG12 ILE 19 -0.640 6.802 14.475 149 HG13 ILE 19 HG11 ILE 19 -0.168 8.337 15.198 150 HG21 ILE 19 HG21 ILE 19 -3.260 6.380 15.965 151 HG22 ILE 19 HG22 ILE 19 -3.082 6.232 14.217 152 HG23 ILE 19 HG23 ILE 19 -4.305 7.310 14.889 153 HD11 ILE 19 HD11 ILE 19 0.339 6.480 16.672 154 HD12 ILE 19 HD12 ILE 19 -1.354 5.985 16.660 155 HD13 ILE 19 HD13 ILE 19 -0.888 7.524 17.387 156 H ASP 20 HN ASP 20 -2.575 11.125 14.949 157 HA ASP 20 HA ASP 20 -0.119 12.308 13.948 158 HB2 ASP 20 HB2 ASP 20 -2.040 13.286 16.087 159 HB3 ASP 20 HB1 ASP 20 -0.689 14.209 15.444 160 HA PRO 21 HA PRO 21 2.773 11.241 17.202 161 HB2 PRO 21 HB2 PRO 21 3.019 14.169 17.771 162 HB3 PRO 21 HB1 PRO 21 4.285 12.969 17.486 163 HG2 PRO 21 HG2 PRO 21 3.620 14.685 15.571 164 HG3 PRO 21 HG1 PRO 21 3.969 12.990 15.175 165 HD2 PRO 21 HD2 PRO 21 1.332 14.394 15.359 166 HD3 PRO 21 HD1 PRO 21 1.865 13.134 14.226 167 H GLN 22 HN GLN 22 -0.033 13.107 17.871 168 HA GLN 22 HA GLN 22 0.235 13.096 20.746 169 HB2 GLN 22 HB2 GLN 22 -2.033 13.853 18.895 170 HB3 GLN 22 HB1 GLN 22 -2.152 13.944 20.648 171 HG2 GLN 22 HG2 GLN 22 -0.091 15.414 19.010 172 HG3 GLN 22 HG1 GLN 22 -1.622 16.107 19.545 173 HE21 GLN 22 HE21 GLN 22 -1.613 14.809 22.119 174 HE22 GLN 22 HE22 GLN 22 -0.405 15.608 23.064 175 H SER 23 HN SER 23 -0.193 10.566 18.803 176 HA SER 23 HA SER 23 -0.929 8.426 19.135 177 HB2 SER 23 HB2 SER 23 -1.565 9.340 21.958 178 HB3 SER 23 HB1 SER 23 -1.396 7.671 21.416 179 HG SER 23 HG SER 23 0.511 9.440 22.169 180 H ASN 24 HN ASN 24 -2.728 10.388 18.103 181 HA ASN 24 HA ASN 24 -5.369 9.612 19.182 182 HB2 ASN 24 HB2 ASN 24 -6.142 11.749 18.041 183 HB3 ASN 24 HB1 ASN 24 -5.056 11.968 19.411 184 HD21 ASN 24 HD21 ASN 24 -5.636 13.593 16.943 185 HD22 ASN 24 HD22 ASN 24 -4.075 13.903 16.262 186 H ILE 25 HN ILE 25 -6.792 8.568 17.902 187 HA ILE 25 HA ILE 25 -6.035 7.471 15.411 188 HB ILE 25 HB ILE 25 -8.698 7.606 16.826 189 HG12 ILE 25 HG12 ILE 25 -6.914 6.136 17.753 190 HG13 ILE 25 HG11 ILE 25 -8.337 5.242 17.228 191 HG21 ILE 25 HG21 ILE 25 -8.110 6.247 14.192 192 HG22 ILE 25 HG22 ILE 25 -9.239 7.573 14.473 193 HG23 ILE 25 HG23 ILE 25 -9.559 5.983 15.163 194 HD11 ILE 25 HD11 ILE 25 -7.184 4.599 15.177 195 HD12 ILE 25 HD12 ILE 25 -6.281 4.101 16.606 196 HD13 ILE 25 HD13 ILE 25 -5.763 5.512 15.686 197 H ARG 26 HN ARG 26 -5.899 8.478 13.518 198 HA ARG 26 HA ARG 26 -7.889 10.527 12.795 199 HB2 ARG 26 HB2 ARG 26 -5.284 9.725 11.472 200 HB3 ARG 26 HB1 ARG 26 -6.387 10.937 10.835 201 HG2 ARG 26 HG2 ARG 26 -6.012 12.363 12.732 202 HG3 ARG 26 HG1 ARG 26 -5.047 11.117 13.531 203 HD2 ARG 26 HD2 ARG 26 -3.673 12.881 12.468 204 HD3 ARG 26 HD1 ARG 26 -3.345 11.271 11.832 205 HE ARG 26 HE ARG 26 -5.191 12.285 10.114 206 HH11 ARG 26 HH11 ARG 26 -2.184 13.484 11.302 207 HH12 ARG 26 HH12 ARG 26 -1.773 14.245 9.803 208 HH21 ARG 26 HH21 ARG 26 -4.674 13.288 8.218 209 HH22 ARG 26 HH22 ARG 26 -3.182 14.154 8.077 210 H ASN 27 HN ASN 27 -6.476 7.462 11.711 211 HA ASN 27 HA ASN 27 -8.832 7.030 9.977 212 HB2 ASN 27 HB2 ASN 27 -6.680 7.666 8.759 213 HB3 ASN 27 HB1 ASN 27 -6.037 6.117 9.279 214 HD21 ASN 27 HD21 ASN 27 -6.468 7.005 6.596 215 HD22 ASN 27 HD22 ASN 27 -7.593 5.907 5.883 216 H MET 28 HN MET 28 -9.923 5.507 11.144 217 HA MET 28 HA MET 28 -8.729 3.526 12.756 218 HB2 MET 28 HB2 MET 28 -11.078 4.316 13.005 219 HB3 MET 28 HB1 MET 28 -11.497 3.451 11.531 220 HG2 MET 28 HG2 MET 28 -10.789 1.337 12.619 221 HG3 MET 28 HG1 MET 28 -10.493 2.238 14.103 222 HE1 MET 28 HE1 MET 28 -13.181 0.939 11.567 223 HE2 MET 28 HE2 MET 28 -13.422 2.683 11.478 224 HE3 MET 28 HE3 MET 28 -14.661 1.659 12.201 225 H VAL 29 HN VAL 29 -10.036 3.319 9.423 226 HA VAL 29 HA VAL 29 -9.629 0.522 9.188 227 HB VAL 29 HB VAL 29 -11.180 1.712 7.709 228 HG11 VAL 29 HG11 VAL 29 -9.929 3.762 7.326 229 HG12 VAL 29 HG12 VAL 29 -10.370 3.010 5.796 230 HG13 VAL 29 HG13 VAL 29 -8.720 2.873 6.401 231 HG21 VAL 29 HG21 VAL 29 -10.619 0.555 5.626 232 HG22 VAL 29 HG22 VAL 29 -10.321 -0.472 7.031 233 HG23 VAL 29 HG23 VAL 29 -8.968 0.305 6.204 234 H ALA 30 HN ALA 30 -7.566 3.282 8.245 235 HA ALA 30 HA ALA 30 -5.476 1.778 7.094 236 HB1 ALA 30 HB1 ALA 30 -4.057 3.718 7.478 237 HB2 ALA 30 HB2 ALA 30 -5.247 4.392 8.593 238 HB3 ALA 30 HB3 ALA 30 -5.639 4.218 6.883 239 H VAL 31 HN VAL 31 -6.116 2.700 10.449 240 HA VAL 31 HA VAL 31 -3.856 1.523 11.640 241 HB VAL 31 HB VAL 31 -6.629 2.148 12.644 242 HG11 VAL 31 HG11 VAL 31 -5.941 0.152 13.865 243 HG12 VAL 31 HG12 VAL 31 -5.929 1.572 14.909 244 HG13 VAL 31 HG13 VAL 31 -4.411 0.924 14.286 245 HG21 VAL 31 HG21 VAL 31 -5.433 3.791 14.006 246 HG22 VAL 31 HG22 VAL 31 -5.079 4.009 12.292 247 HG23 VAL 31 HG23 VAL 31 -3.898 3.227 13.346 248 H LEU 32 HN LEU 32 -7.081 0.153 10.931 249 HA LEU 32 HA LEU 32 -6.713 -2.383 12.015 250 HB2 LEU 32 HB2 LEU 32 -8.278 -1.592 9.555 251 HB3 LEU 32 HB1 LEU 32 -8.402 -3.154 10.346 252 HG LEU 32 HG LEU 32 -9.133 -0.491 11.580 253 HD11 LEU 32 HD11 LEU 32 -10.713 -1.177 9.860 254 HD12 LEU 32 HD12 LEU 32 -11.434 -1.319 11.462 255 HD13 LEU 32 HD13 LEU 32 -10.872 -2.762 10.617 256 HD21 LEU 32 HD21 LEU 32 -9.404 -3.293 12.677 257 HD22 LEU 32 HD22 LEU 32 -10.015 -1.823 13.433 258 HD23 LEU 32 HD23 LEU 32 -8.280 -2.059 13.246 259 H GLU 33 HN GLU 33 -5.558 -1.087 8.954 260 HA GLU 33 HA GLU 33 -4.709 -3.521 7.785 261 HB2 GLU 33 HB2 GLU 33 -3.569 -0.742 7.391 262 HB3 GLU 33 HB1 GLU 33 -3.281 -2.126 6.343 263 HG2 GLU 33 HG2 GLU 33 -5.719 -2.211 5.870 264 HG3 GLU 33 HG1 GLU 33 -5.912 -0.736 6.816 265 H VAL 34 HN VAL 34 -2.916 -1.155 9.808 266 HA VAL 34 HA VAL 34 -0.481 -2.645 9.692 267 HB VAL 34 HB VAL 34 0.411 -1.157 11.370 268 HG11 VAL 34 HG11 VAL 34 0.245 -0.306 9.089 269 HG12 VAL 34 HG12 VAL 34 0.055 1.000 10.260 270 HG13 VAL 34 HG13 VAL 34 -1.359 0.343 9.435 271 HG21 VAL 34 HG21 VAL 34 -0.942 0.551 12.490 272 HG22 VAL 34 HG22 VAL 34 -1.493 -1.072 12.909 273 HG23 VAL 34 HG23 VAL 34 -2.399 -0.106 11.744 274 H ILE 35 HN ILE 35 -3.190 -2.601 11.985 275 HA ILE 35 HA ILE 35 -2.087 -4.435 13.850 276 HB ILE 35 HB ILE 35 -4.916 -3.669 13.148 277 HG12 ILE 35 HG12 ILE 35 -4.943 -2.942 15.537 278 HG13 ILE 35 HG11 ILE 35 -3.272 -3.458 15.688 279 HG21 ILE 35 HG21 ILE 35 -4.166 -5.838 15.114 280 HG22 ILE 35 HG22 ILE 35 -5.039 -6.060 13.597 281 HG23 ILE 35 HG23 ILE 35 -5.776 -5.143 14.910 282 HD11 ILE 35 HD11 ILE 35 -2.608 -1.800 14.043 283 HD12 ILE 35 HD12 ILE 35 -3.427 -1.073 15.423 284 HD13 ILE 35 HD13 ILE 35 -4.286 -1.280 13.896 285 H SER 36 HN SER 36 -4.010 -4.909 10.893 286 HA SER 36 HA SER 36 -4.213 -7.709 10.950 287 HB2 SER 36 HB2 SER 36 -5.506 -6.400 9.358 288 HB3 SER 36 HB1 SER 36 -4.035 -5.844 8.565 289 HG SER 36 HG SER 36 -4.835 -8.570 8.731 290 H SER 37 HN SER 37 -1.649 -5.614 9.707 291 HA SER 37 HA SER 37 0.051 -7.671 8.743 292 HB2 SER 37 HB2 SER 37 0.366 -5.321 8.099 293 HB3 SER 37 HB1 SER 37 0.766 -4.903 9.762 294 HG SER 37 HG SER 37 2.556 -6.414 9.543 295 H LEU 38 HN LEU 38 -0.170 -6.024 11.881 296 HA LEU 38 HA LEU 38 2.012 -7.192 13.171 297 HB2 LEU 38 HB2 LEU 38 0.641 -5.301 14.034 298 HB3 LEU 38 HB1 LEU 38 -0.644 -6.437 14.405 299 HG LEU 38 HG LEU 38 0.883 -7.592 16.001 300 HD11 LEU 38 HD11 LEU 38 3.019 -7.000 15.012 301 HD12 LEU 38 HD12 LEU 38 2.955 -6.460 16.688 302 HD13 LEU 38 HD13 LEU 38 2.745 -5.298 15.379 303 HD21 LEU 38 HD21 LEU 38 0.497 -4.637 16.513 304 HD22 LEU 38 HD22 LEU 38 0.798 -5.870 17.739 305 HD23 LEU 38 HD23 LEU 38 -0.695 -5.907 16.802 306 H GLU 39 HN GLU 39 -1.182 -8.478 12.539 307 HA GLU 39 HA GLU 39 -1.189 -10.740 14.180 308 HB2 GLU 39 HB2 GLU 39 -2.379 -10.251 11.445 309 HB3 GLU 39 HB1 GLU 39 -2.674 -11.726 12.355 310 HG2 GLU 39 HG2 GLU 39 -3.233 -9.099 13.660 311 HG3 GLU 39 HG1 GLU 39 -4.350 -9.697 12.436 312 H LYS 40 HN LYS 40 0.349 -10.225 11.025 313 HA LYS 40 HA LYS 40 1.346 -12.989 11.010 314 HB2 LYS 40 HB2 LYS 40 1.518 -10.818 8.910 315 HB3 LYS 40 HB1 LYS 40 2.164 -12.442 8.726 316 HG2 LYS 40 HG2 LYS 40 -0.116 -13.352 8.953 317 HG3 LYS 40 HG1 LYS 40 -0.740 -11.703 9.067 318 HD2 LYS 40 HD2 LYS 40 0.118 -11.204 6.835 319 HD3 LYS 40 HD1 LYS 40 0.809 -12.823 6.720 320 HE2 LYS 40 HE2 LYS 40 -1.456 -13.782 6.867 321 HE3 LYS 40 HE1 LYS 40 -2.130 -12.153 6.945 322 HZ1 LYS 40 HZ1 LYS 40 -0.547 -13.242 4.676 323 HZ2 LYS 40 HZ2 LYS 40 -1.249 -11.708 4.752 324 HZ3 LYS 40 HZ3 LYS 40 -2.230 -13.080 4.706 325 H TYR 41 HN TYR 41 2.410 -9.794 11.747 326 HA TYR 41 HA TYR 41 5.205 -10.726 11.906 327 HB2 TYR 41 HB2 TYR 41 4.386 -7.959 10.980 328 HB3 TYR 41 HB1 TYR 41 6.021 -8.606 11.061 329 HD1 TYR 41 HD1 TYR 41 2.955 -8.430 9.113 330 HD2 TYR 41 HD2 TYR 41 6.735 -10.374 9.440 331 HE1 TYR 41 HE1 TYR 41 2.740 -9.228 6.801 332 HE2 TYR 41 HE2 TYR 41 6.525 -11.171 7.122 333 HH TYR 41 HH TYR 41 4.594 -11.657 5.507 334 HA PRO 42 HA PRO 42 4.114 -8.940 15.990 335 HB2 PRO 42 HB2 PRO 42 5.494 -10.712 17.487 336 HB3 PRO 42 HB1 PRO 42 3.901 -11.088 16.819 337 HG2 PRO 42 HG2 PRO 42 6.611 -11.889 15.819 338 HG3 PRO 42 HG1 PRO 42 5.131 -12.859 15.936 339 HD2 PRO 42 HD2 PRO 42 6.004 -11.692 13.610 340 HD3 PRO 42 HD1 PRO 42 4.300 -12.051 13.950 341 H ILE 43 HN ILE 43 5.229 -7.289 16.868 342 HA ILE 43 HA ILE 43 7.688 -6.389 15.976 343 HB ILE 43 HB ILE 43 6.364 -5.821 18.639 344 HG12 ILE 43 HG12 ILE 43 6.277 -4.308 16.009 345 HG13 ILE 43 HG11 ILE 43 4.970 -5.286 16.668 346 HG21 ILE 43 HG21 ILE 43 7.701 -3.759 18.676 347 HG22 ILE 43 HG22 ILE 43 8.546 -4.285 17.220 348 HG23 ILE 43 HG23 ILE 43 8.718 -5.200 18.719 349 HD11 ILE 43 HD11 ILE 43 6.099 -2.795 17.925 350 HD12 ILE 43 HD12 ILE 43 4.761 -3.759 18.547 351 HD13 ILE 43 HD13 ILE 43 4.598 -2.907 17.014 352 H THR 44 HN THR 44 9.796 -6.758 16.488 353 HA THR 44 HA THR 44 10.503 -8.994 18.113 354 HB THR 44 HB THR 44 12.416 -6.865 17.108 355 HG1 THR 44 HG1 THR 44 12.572 -8.279 15.233 356 HG21 THR 44 HG21 THR 44 14.009 -8.736 17.023 357 HG22 THR 44 HG22 THR 44 12.768 -9.823 17.651 358 HG23 THR 44 HG23 THR 44 13.380 -8.506 18.656 359 H LYS 45 HN LYS 45 12.001 -8.905 19.955 360 HA LYS 45 HA LYS 45 10.843 -7.190 21.935 361 HB2 LYS 45 HB2 LYS 45 13.052 -9.248 22.179 362 HB3 LYS 45 HB1 LYS 45 12.239 -8.467 23.527 363 HG2 LYS 45 HG2 LYS 45 11.231 -10.585 23.326 364 HG3 LYS 45 HG1 LYS 45 10.076 -9.449 22.629 365 HD2 LYS 45 HD2 LYS 45 10.839 -10.052 20.375 366 HD3 LYS 45 HD1 LYS 45 12.021 -11.166 21.065 367 HE2 LYS 45 HE2 LYS 45 10.168 -12.469 22.057 368 HE3 LYS 45 HE1 LYS 45 9.014 -11.372 21.296 369 HZ1 LYS 45 HZ1 LYS 45 9.801 -12.054 19.137 370 HZ2 LYS 45 HZ2 LYS 45 9.359 -13.425 20.023 371 HZ3 LYS 45 HZ3 LYS 45 10.993 -13.037 19.832 372 H GLU 46 HN GLU 46 14.134 -7.568 20.637 373 HA GLU 46 HA GLU 46 15.415 -5.576 22.129 374 HB2 GLU 46 HB2 GLU 46 17.066 -5.541 20.263 375 HB3 GLU 46 HB1 GLU 46 16.661 -7.171 20.790 376 HG2 GLU 46 HG2 GLU 46 15.055 -7.322 18.891 377 HG3 GLU 46 HG1 GLU 46 15.635 -5.755 18.335 378 H ALA 47 HN ALA 47 13.717 -5.352 19.039 379 HA ALA 47 HA ALA 47 14.260 -2.613 18.549 380 HB1 ALA 47 HB1 ALA 47 12.622 -2.802 16.767 381 HB2 ALA 47 HB2 ALA 47 12.064 -4.343 17.422 382 HB3 ALA 47 HB3 ALA 47 13.699 -4.199 16.774 383 H LEU 48 HN LEU 48 11.703 -4.268 20.294 384 HA LEU 48 HA LEU 48 9.711 -2.311 20.317 385 HB2 LEU 48 HB2 LEU 48 9.500 -4.654 21.154 386 HB3 LEU 48 HB1 LEU 48 10.458 -4.214 22.554 387 HG LEU 48 HG LEU 48 8.654 -2.535 23.137 388 HD11 LEU 48 HD11 LEU 48 6.430 -2.917 22.152 389 HD12 LEU 48 HD12 LEU 48 7.156 -4.016 20.978 390 HD13 LEU 48 HD13 LEU 48 7.599 -2.309 20.982 391 HD21 LEU 48 HD21 LEU 48 8.852 -4.680 24.289 392 HD22 LEU 48 HD22 LEU 48 7.862 -5.448 23.048 393 HD23 LEU 48 HD23 LEU 48 7.162 -4.217 24.099 394 H GLU 49 HN GLU 49 12.418 -2.785 22.586 395 HA GLU 49 HA GLU 49 11.930 -0.438 24.131 396 HB2 GLU 49 HB2 GLU 49 13.218 -2.243 25.076 397 HB3 GLU 49 HB1 GLU 49 14.378 -2.178 23.759 398 HG2 GLU 49 HG2 GLU 49 15.371 -1.216 25.709 399 HG3 GLU 49 HG1 GLU 49 15.084 0.064 24.533 400 H GLU 50 HN GLU 50 14.106 -1.150 21.419 401 HA GLU 50 HA GLU 50 15.588 1.234 21.472 402 HB2 GLU 50 HB2 GLU 50 16.249 -0.847 20.285 403 HB3 GLU 50 HB1 GLU 50 15.006 -0.530 19.083 404 HG2 GLU 50 HG2 GLU 50 17.131 0.151 18.205 405 HG3 GLU 50 HG1 GLU 50 16.155 1.588 18.505 406 H THR 51 HN THR 51 12.809 0.380 19.399 407 HA THR 51 HA THR 51 12.762 3.023 18.193 408 HB THR 51 HB THR 51 10.868 2.168 16.861 409 HG1 THR 51 HG1 THR 51 11.209 -0.391 17.989 410 HG21 THR 51 HG21 THR 51 12.069 0.403 15.647 411 HG22 THR 51 HG22 THR 51 13.187 0.224 17.000 412 HG23 THR 51 HG23 THR 51 13.154 1.725 16.073 413 H ARG 52 HN ARG 52 11.653 1.899 21.070 414 HA ARG 52 HA ARG 52 10.227 2.666 22.660 415 HB2 ARG 52 HB2 ARG 52 11.049 4.903 21.781 416 HB3 ARG 52 HB1 ARG 52 9.591 4.971 20.802 417 HG2 ARG 52 HG2 ARG 52 8.243 4.846 22.904 418 HG3 ARG 52 HG1 ARG 52 9.747 4.932 23.820 419 HD2 ARG 52 HD2 ARG 52 10.236 7.111 22.731 420 HD3 ARG 52 HD1 ARG 52 8.671 7.026 21.924 421 HE ARG 52 HE ARG 52 8.534 6.820 24.800 422 HH11 ARG 52 HH11 ARG 52 8.498 8.965 22.101 423 HH12 ARG 52 HH12 ARG 52 7.767 10.248 22.995 424 HH21 ARG 52 HH21 ARG 52 7.619 8.499 25.938 425 HH22 ARG 52 HH22 ARG 52 7.299 9.998 25.134 426 H LEU 53 HN LEU 53 9.283 0.947 20.384 427 HA LEU 53 HA LEU 53 6.551 1.613 19.880 428 HB2 LEU 53 HB2 LEU 53 8.131 -0.925 19.533 429 HB3 LEU 53 HB1 LEU 53 6.416 -0.844 19.172 430 HG LEU 53 HG LEU 53 8.553 0.842 17.848 431 HD11 LEU 53 HD11 LEU 53 6.995 -1.513 16.783 432 HD12 LEU 53 HD12 LEU 53 8.710 -1.507 17.197 433 HD13 LEU 53 HD13 LEU 53 8.122 -0.515 15.863 434 HD21 LEU 53 HD21 LEU 53 6.428 2.018 17.953 435 HD22 LEU 53 HD22 LEU 53 5.589 0.608 17.305 436 HD23 LEU 53 HD23 LEU 53 6.742 1.486 16.302 437 H GLY 54 HN GLY 54 8.108 0.280 22.609 438 HA2 GLY 54 HA2 GLY 54 6.060 -1.227 23.783 439 HA3 GLY 54 HA1 GLY 54 7.250 -0.293 24.670 440 H LYS 55 HN LYS 55 6.455 2.263 23.553 441 HA LYS 55 HA LYS 55 4.401 3.044 25.314 442 HB2 LYS 55 HB2 LYS 55 6.222 4.462 24.141 443 HB3 LYS 55 HB1 LYS 55 5.121 4.532 22.778 444 HG2 LYS 55 HG2 LYS 55 4.205 5.373 25.505 445 HG3 LYS 55 HG1 LYS 55 5.161 6.465 24.508 446 HD2 LYS 55 HD2 LYS 55 2.557 5.190 23.648 447 HD3 LYS 55 HD1 LYS 55 2.703 6.812 24.322 448 HE2 LYS 55 HE2 LYS 55 4.230 7.397 22.442 449 HE3 LYS 55 HE1 LYS 55 3.928 5.805 21.749 450 HZ1 LYS 55 HZ1 LYS 55 2.525 7.482 20.739 451 HZ2 LYS 55 HZ2 LYS 55 1.878 7.896 22.241 452 HZ3 LYS 55 HZ3 LYS 55 1.576 6.370 21.592 453 H LEU 56 HN LEU 56 4.378 2.135 21.906 454 HA LEU 56 HA LEU 56 1.734 2.707 21.211 455 HB2 LEU 56 HB2 LEU 56 3.583 2.048 19.667 456 HB3 LEU 56 HB1 LEU 56 3.438 0.399 20.236 457 HG LEU 56 HG LEU 56 1.081 1.779 18.952 458 HD11 LEU 56 HD11 LEU 56 2.917 2.056 17.381 459 HD12 LEU 56 HD12 LEU 56 1.787 0.839 16.790 460 HD13 LEU 56 HD13 LEU 56 3.318 0.344 17.513 461 HD21 LEU 56 HD21 LEU 56 1.932 -1.121 19.105 462 HD22 LEU 56 HD22 LEU 56 0.467 -0.511 18.335 463 HD23 LEU 56 HD23 LEU 56 0.671 -0.361 20.078 464 H ILE 57 HN ILE 57 3.057 0.020 23.043 465 HA ILE 57 HA ILE 57 0.980 -1.836 22.869 466 HB ILE 57 HB ILE 57 2.814 -1.260 25.211 467 HG12 ILE 57 HG12 ILE 57 3.021 -3.284 22.963 468 HG13 ILE 57 HG11 ILE 57 4.004 -1.836 23.143 469 HG21 ILE 57 HG21 ILE 57 0.868 -2.534 25.955 470 HG22 ILE 57 HG22 ILE 57 2.322 -3.528 25.985 471 HG23 ILE 57 HG23 ILE 57 1.149 -3.724 24.684 472 HD11 ILE 57 HD11 ILE 57 4.948 -2.748 25.213 473 HD12 ILE 57 HD12 ILE 57 5.235 -3.798 23.826 474 HD13 ILE 57 HD13 ILE 57 3.983 -4.210 24.999 475 H ASN 58 HN ASN 58 1.340 0.945 25.049 476 HA ASN 58 HA ASN 58 -1.061 0.476 26.522 477 HB2 ASN 58 HB2 ASN 58 0.337 3.127 26.076 478 HB3 ASN 58 HB1 ASN 58 -0.780 2.727 27.378 479 HD21 ASN 58 HD21 ASN 58 2.419 2.340 26.137 480 HD22 ASN 58 HD22 ASN 58 3.108 1.664 27.564 481 H ASP 59 HN ASP 59 -0.275 2.317 23.620 482 HA ASP 59 HA ASP 59 -2.739 3.705 23.504 483 HB2 ASP 59 HB2 ASP 59 -0.471 3.346 21.580 484 HB3 ASP 59 HB1 ASP 59 -1.966 4.118 21.053 485 H VAL 60 HN VAL 60 -1.636 0.713 21.905 486 HA VAL 60 HA VAL 60 -3.684 0.515 20.013 487 HB VAL 60 HB VAL 60 -1.663 -0.897 19.974 488 HG11 VAL 60 HG11 VAL 60 -2.947 -2.419 22.247 489 HG12 VAL 60 HG12 VAL 60 -1.508 -1.408 22.362 490 HG13 VAL 60 HG13 VAL 60 -1.476 -2.877 21.389 491 HG21 VAL 60 HG21 VAL 60 -4.241 -2.476 20.003 492 HG22 VAL 60 HG22 VAL 60 -2.736 -2.978 19.229 493 HG23 VAL 60 HG23 VAL 60 -3.598 -1.555 18.642 494 H ARG 61 HN ARG 61 -3.680 -0.280 23.420 495 HA ARG 61 HA ARG 61 -6.135 -1.676 23.560 496 HB2 ARG 61 HB2 ARG 61 -4.518 -1.645 25.399 497 HB3 ARG 61 HB1 ARG 61 -4.745 0.085 25.599 498 HG2 ARG 61 HG2 ARG 61 -7.053 -0.282 26.303 499 HG3 ARG 61 HG1 ARG 61 -6.854 -2.021 26.072 500 HD2 ARG 61 HD2 ARG 61 -5.091 -2.045 27.779 501 HD3 ARG 61 HD1 ARG 61 -5.282 -0.306 28.003 502 HE ARG 61 HE ARG 61 -7.770 -1.456 28.438 503 HH11 ARG 61 HH11 ARG 61 -4.632 -1.556 29.867 504 HH12 ARG 61 HH12 ARG 61 -5.244 -1.905 31.443 505 HH21 ARG 61 HH21 ARG 61 -8.534 -1.903 30.465 506 HH22 ARG 61 HH22 ARG 61 -7.425 -2.071 31.784 507 H LYS 62 HN LYS 62 -5.336 1.760 23.665 508 HA LYS 62 HA LYS 62 -8.113 2.577 24.002 509 HB2 LYS 62 HB2 LYS 62 -6.189 3.699 25.154 510 HB3 LYS 62 HB1 LYS 62 -5.638 4.267 23.585 511 HG2 LYS 62 HG2 LYS 62 -7.707 5.548 23.317 512 HG3 LYS 62 HG1 LYS 62 -8.266 4.974 24.891 513 HD2 LYS 62 HD2 LYS 62 -5.793 6.645 24.382 514 HD3 LYS 62 HD1 LYS 62 -7.315 7.229 25.055 515 HE2 LYS 62 HE2 LYS 62 -7.032 5.832 27.016 516 HE3 LYS 62 HE1 LYS 62 -5.587 5.098 26.321 517 HZ1 LYS 62 HZ1 LYS 62 -4.495 7.243 26.404 518 HZ2 LYS 62 HZ2 LYS 62 -5.030 6.798 27.945 519 HZ3 LYS 62 HZ3 LYS 62 -5.878 7.961 27.057 520 H LYS 63 HN LYS 63 -5.933 2.002 21.426 521 HA LYS 63 HA LYS 63 -7.291 3.775 19.530 522 HB2 LYS 63 HB2 LYS 63 -4.679 2.363 19.612 523 HB3 LYS 63 HB1 LYS 63 -5.414 2.513 18.028 524 HG2 LYS 63 HG2 LYS 63 -3.919 4.318 18.261 525 HG3 LYS 63 HG1 LYS 63 -5.538 4.987 18.410 526 HD2 LYS 63 HD2 LYS 63 -4.178 4.227 20.938 527 HD3 LYS 63 HD1 LYS 63 -3.509 5.603 20.068 528 HE2 LYS 63 HE2 LYS 63 -5.843 6.563 20.019 529 HE3 LYS 63 HE1 LYS 63 -6.310 5.276 21.130 530 HZ1 LYS 63 HZ1 LYS 63 -5.781 7.270 22.346 531 HZ2 LYS 63 HZ2 LYS 63 -4.262 7.372 21.619 532 HZ3 LYS 63 HZ3 LYS 63 -4.602 6.100 22.678 533 H THR 64 HN THR 64 -7.649 0.618 20.608 534 HA THR 64 HA THR 64 -7.837 -0.854 18.214 535 HB THR 64 HB THR 64 -7.599 -2.028 20.316 536 HG1 THR 64 HG1 THR 64 -9.681 -3.391 20.034 537 HG21 THR 64 HG21 THR 64 -8.917 -0.497 21.742 538 HG22 THR 64 HG22 THR 64 -9.406 -2.179 21.952 539 HG23 THR 64 HG23 THR 64 -10.398 -1.088 20.983 540 H LYS 65 HN LYS 65 -9.604 -1.609 17.017 541 HA LYS 65 HA LYS 65 -11.798 0.161 16.632 542 HB2 LYS 65 HB2 LYS 65 -10.901 -1.244 14.816 543 HB3 LYS 65 HB1 LYS 65 -11.412 -2.691 15.673 544 HG2 LYS 65 HG2 LYS 65 -13.783 -1.775 15.512 545 HG3 LYS 65 HG1 LYS 65 -13.136 -0.593 14.373 546 HD2 LYS 65 HD2 LYS 65 -14.068 -2.454 13.142 547 HD3 LYS 65 HD1 LYS 65 -12.313 -2.469 12.960 548 HE2 LYS 65 HE2 LYS 65 -12.120 -4.227 14.619 549 HE3 LYS 65 HE1 LYS 65 -13.853 -4.162 14.934 550 HZ1 LYS 65 HZ1 LYS 65 -13.307 -6.008 13.493 551 HZ2 LYS 65 HZ2 LYS 65 -12.578 -4.972 12.372 552 HZ3 LYS 65 HZ3 LYS 65 -14.243 -4.879 12.650 553 H ASN 66 HN ASN 66 -11.557 -3.084 18.069 554 HA ASN 66 HA ASN 66 -14.182 -2.666 19.355 555 HB2 ASN 66 HB2 ASN 66 -14.276 -4.307 17.453 556 HB3 ASN 66 HB1 ASN 66 -13.136 -5.323 18.329 557 HD21 ASN 66 HD21 ASN 66 -15.890 -5.860 17.483 558 HD22 ASN 66 HD22 ASN 66 -16.753 -6.265 18.923 559 H GLU 67 HN GLU 67 -14.296 -3.068 21.489 560 HA GLU 67 HA GLU 67 -12.014 -3.307 23.101 561 HB2 GLU 67 HB2 GLU 67 -14.117 -2.315 23.858 562 HB3 GLU 67 HB1 GLU 67 -14.917 -3.874 23.740 563 HG2 GLU 67 HG2 GLU 67 -13.503 -4.746 25.531 564 HG3 GLU 67 HG1 GLU 67 -12.676 -3.192 25.639 565 H GLU 68 HN GLU 68 -14.351 -5.769 22.044 566 HA GLU 68 HA GLU 68 -13.240 -7.930 23.509 567 HB2 GLU 68 HB2 GLU 68 -14.944 -7.875 21.012 568 HB3 GLU 68 HB1 GLU 68 -14.478 -9.362 21.827 569 HG2 GLU 68 HG2 GLU 68 -16.145 -7.127 22.973 570 HG3 GLU 68 HG1 GLU 68 -16.708 -8.726 22.489 571 H LEU 69 HN LEU 69 -12.456 -6.519 20.403 572 HA LEU 69 HA LEU 69 -10.818 -8.629 19.422 573 HB2 LEU 69 HB2 LEU 69 -11.856 -6.654 18.145 574 HB3 LEU 69 HB1 LEU 69 -10.515 -5.701 18.741 575 HG LEU 69 HG LEU 69 -10.126 -8.198 17.076 576 HD11 LEU 69 HD11 LEU 69 -11.466 -6.589 15.808 577 HD12 LEU 69 HD12 LEU 69 -9.839 -6.735 15.145 578 HD13 LEU 69 HD13 LEU 69 -10.267 -5.333 16.127 579 HD21 LEU 69 HD21 LEU 69 -7.922 -7.201 16.606 580 HD22 LEU 69 HD22 LEU 69 -8.150 -7.510 18.326 581 HD23 LEU 69 HD23 LEU 69 -8.299 -5.869 17.699 582 H ALA 70 HN ALA 70 -10.161 -5.715 21.332 583 HA ALA 70 HA ALA 70 -7.370 -5.780 21.376 584 HB1 ALA 70 HB1 ALA 70 -9.201 -4.888 23.608 585 HB2 ALA 70 HB2 ALA 70 -8.721 -3.905 22.225 586 HB3 ALA 70 HB3 ALA 70 -7.511 -4.430 23.396 587 H LYS 71 HN LYS 71 -9.696 -7.595 23.300 588 HA LYS 71 HA LYS 71 -7.928 -8.709 25.182 589 HB2 LYS 71 HB2 LYS 71 -10.484 -9.866 24.034 590 HB3 LYS 71 HB1 LYS 71 -9.673 -10.444 25.486 591 HG2 LYS 71 HG2 LYS 71 -10.054 -8.311 26.585 592 HG3 LYS 71 HG1 LYS 71 -10.797 -7.666 25.120 593 HD2 LYS 71 HD2 LYS 71 -12.593 -9.327 25.298 594 HD3 LYS 71 HD1 LYS 71 -11.845 -9.992 26.753 595 HE2 LYS 71 HE2 LYS 71 -12.156 -7.859 27.901 596 HE3 LYS 71 HE1 LYS 71 -12.862 -7.162 26.443 597 HZ1 LYS 71 HZ1 LYS 71 -14.682 -8.719 26.606 598 HZ2 LYS 71 HZ2 LYS 71 -14.547 -7.843 28.044 599 HZ3 LYS 71 HZ3 LYS 71 -13.996 -9.439 27.974 600 H ARG 72 HN ARG 72 -8.808 -9.767 21.918 601 HA ARG 72 HA ARG 72 -7.266 -12.178 21.981 602 HB2 ARG 72 HB2 ARG 72 -8.377 -10.553 19.683 603 HB3 ARG 72 HB1 ARG 72 -7.549 -12.093 19.475 604 HG2 ARG 72 HG2 ARG 72 -9.253 -13.219 20.799 605 HG3 ARG 72 HG1 ARG 72 -10.064 -11.680 21.094 606 HD2 ARG 72 HD2 ARG 72 -10.589 -11.453 18.749 607 HD3 ARG 72 HD1 ARG 72 -9.645 -12.892 18.359 608 HE ARG 72 HE ARG 72 -11.372 -13.993 19.965 609 HH11 ARG 72 HH11 ARG 72 -12.021 -11.566 17.604 610 HH12 ARG 72 HH12 ARG 72 -13.668 -12.052 17.411 611 HH21 ARG 72 HH21 ARG 72 -13.448 -14.630 19.671 612 HH22 ARG 72 HH22 ARG 72 -14.464 -13.788 18.551 613 H ALA 73 HN ALA 73 -6.670 -8.920 20.682 614 HA ALA 73 HA ALA 73 -4.110 -9.376 19.612 615 HB1 ALA 73 HB1 ALA 73 -3.849 -6.946 19.665 616 HB2 ALA 73 HB2 ALA 73 -5.241 -6.811 20.739 617 HB3 ALA 73 HB3 ALA 73 -5.453 -7.398 19.090 618 H LYS 74 HN LYS 74 -5.155 -8.724 22.883 619 HA LYS 74 HA LYS 74 -2.857 -7.763 24.083 620 HB2 LYS 74 HB2 LYS 74 -5.046 -7.886 25.182 621 HB3 LYS 74 HB1 LYS 74 -4.933 -9.639 25.247 622 HG2 LYS 74 HG2 LYS 74 -3.006 -9.460 26.749 623 HG3 LYS 74 HG1 LYS 74 -3.116 -7.699 26.675 624 HD2 LYS 74 HD2 LYS 74 -5.358 -7.792 27.667 625 HD3 LYS 74 HD1 LYS 74 -5.264 -9.554 27.722 626 HE2 LYS 74 HE2 LYS 74 -3.366 -9.414 29.248 627 HE3 LYS 74 HE1 LYS 74 -3.419 -7.654 29.170 628 HZ1 LYS 74 HZ1 LYS 74 -5.558 -9.408 30.247 629 HZ2 LYS 74 HZ2 LYS 74 -5.622 -7.721 30.162 630 HZ3 LYS 74 HZ3 LYS 74 -4.483 -8.473 31.160 631 H LYS 75 HN LYS 75 -3.686 -11.144 23.376 632 HA LYS 75 HA LYS 75 -1.613 -12.397 24.789 633 HB2 LYS 75 HB2 LYS 75 -3.158 -13.189 22.325 634 HB3 LYS 75 HB1 LYS 75 -1.898 -14.223 22.983 635 HG2 LYS 75 HG2 LYS 75 -4.312 -13.278 24.531 636 HG3 LYS 75 HG1 LYS 75 -4.177 -14.845 23.729 637 HD2 LYS 75 HD2 LYS 75 -2.260 -15.418 25.134 638 HD3 LYS 75 HD1 LYS 75 -2.343 -13.838 25.915 639 HE2 LYS 75 HE2 LYS 75 -4.532 -15.919 25.981 640 HE3 LYS 75 HE1 LYS 75 -3.352 -15.656 27.263 641 HZ1 LYS 75 HZ1 LYS 75 -5.445 -14.540 27.715 642 HZ2 LYS 75 HZ2 LYS 75 -5.304 -13.644 26.294 643 HZ3 LYS 75 HZ3 LYS 75 -4.191 -13.424 27.547 644 H LEU 76 HN LEU 76 -1.589 -10.929 21.562 645 HA LEU 76 HA LEU 76 0.988 -11.843 20.796 646 HB2 LEU 76 HB2 LEU 76 -0.634 -9.455 19.910 647 HB3 LEU 76 HB1 LEU 76 0.926 -9.851 19.217 648 HG LEU 76 HG LEU 76 -0.022 -12.064 18.505 649 HD11 LEU 76 HD11 LEU 76 -1.864 -12.213 20.104 650 HD12 LEU 76 HD12 LEU 76 -2.440 -12.349 18.444 651 HD13 LEU 76 HD13 LEU 76 -2.655 -10.839 19.330 652 HD21 LEU 76 HD21 LEU 76 -1.255 -11.160 16.603 653 HD22 LEU 76 HD22 LEU 76 0.171 -10.183 16.952 654 HD23 LEU 76 HD23 LEU 76 -1.428 -9.615 17.436 655 H LEU 77 HN LEU 77 -0.125 -8.902 22.427 656 HA LEU 77 HA LEU 77 2.315 -7.536 22.621 657 HB2 LEU 77 HB2 LEU 77 -0.162 -7.541 24.336 658 HB3 LEU 77 HB1 LEU 77 1.218 -6.538 24.737 659 HG LEU 77 HG LEU 77 0.982 -5.273 22.688 660 HD11 LEU 77 HD11 LEU 77 0.275 -7.030 21.169 661 HD12 LEU 77 HD12 LEU 77 -0.851 -5.675 21.108 662 HD13 LEU 77 HD13 LEU 77 -1.284 -7.140 21.987 663 HD21 LEU 77 HD21 LEU 77 -1.218 -4.251 23.062 664 HD22 LEU 77 HD22 LEU 77 -0.376 -4.558 24.579 665 HD23 LEU 77 HD23 LEU 77 -1.683 -5.624 24.065 666 H ARG 78 HN ARG 78 0.950 -10.087 24.626 667 HA ARG 78 HA ARG 78 2.724 -10.057 26.791 668 HB2 ARG 78 HB2 ARG 78 1.355 -12.420 25.481 669 HB3 ARG 78 HB1 ARG 78 2.132 -12.465 27.056 670 HG2 ARG 78 HG2 ARG 78 -0.030 -10.465 26.558 671 HG3 ARG 78 HG1 ARG 78 -0.461 -12.151 26.835 672 HD2 ARG 78 HD2 ARG 78 -0.555 -10.948 28.919 673 HD3 ARG 78 HD1 ARG 78 0.778 -12.094 28.970 674 HE ARG 78 HE ARG 78 2.284 -10.202 28.639 675 HH11 ARG 78 HH11 ARG 78 -0.938 -9.506 29.667 676 HH12 ARG 78 HH12 ARG 78 -0.504 -7.981 30.362 677 HH21 ARG 78 HH21 ARG 78 2.835 -8.279 29.589 678 HH22 ARG 78 HH22 ARG 78 1.619 -7.301 30.332 679 H SER 79 HN SER 79 2.998 -11.718 23.655 680 HA SER 79 HA SER 79 5.323 -13.199 24.179 681 HB2 SER 79 HB2 SER 79 4.281 -12.129 21.543 682 HB3 SER 79 HB1 SER 79 5.566 -13.327 21.698 683 HG SER 79 HG SER 79 3.952 -14.570 22.948 684 H TRP 80 HN TRP 80 4.980 -9.814 23.484 685 HA TRP 80 HA TRP 80 7.756 -9.422 22.744 686 HB2 TRP 80 HB2 TRP 80 5.802 -7.293 23.644 687 HB3 TRP 80 HB1 TRP 80 7.257 -7.076 22.680 688 HD1 TRP 80 HD1 TRP 80 6.133 -9.798 20.850 689 HE1 TRP 80 HE1 TRP 80 4.473 -9.189 18.982 690 HE3 TRP 80 HE3 TRP 80 4.743 -5.162 22.479 691 HZ2 TRP 80 HZ2 TRP 80 2.795 -7.023 18.287 692 HZ3 TRP 80 HZ3 TRP 80 3.114 -3.878 21.160 693 HH2 TRP 80 HH2 TRP 80 2.157 -4.793 19.102 694 H GLN 81 HN GLN 81 5.836 -9.388 25.638 695 HA GLN 81 HA GLN 81 7.445 -7.741 27.268 696 HB2 GLN 81 HB2 GLN 81 5.591 -9.959 28.156 697 HB3 GLN 81 HB1 GLN 81 6.157 -8.615 29.137 698 HG2 GLN 81 HG2 GLN 81 4.317 -8.461 26.752 699 HG3 GLN 81 HG1 GLN 81 3.885 -8.222 28.442 700 HE21 GLN 81 HE21 GLN 81 5.406 -6.828 25.652 701 HE22 GLN 81 HE22 GLN 81 5.536 -5.225 26.279 702 H LYS 82 HN LYS 82 7.946 -10.977 26.229 703 HA LYS 82 HA LYS 82 9.241 -12.089 28.446 704 HB2 LYS 82 HB2 LYS 82 10.190 -13.727 26.884 705 HB3 LYS 82 HB1 LYS 82 8.481 -13.459 26.600 706 HG2 LYS 82 HG2 LYS 82 9.287 -13.518 24.453 707 HG3 LYS 82 HG1 LYS 82 9.314 -11.788 24.774 708 HD2 LYS 82 HD2 LYS 82 11.370 -12.416 23.682 709 HD3 LYS 82 HD1 LYS 82 11.729 -11.979 25.351 710 HE2 LYS 82 HE2 LYS 82 11.782 -14.364 25.954 711 HE3 LYS 82 HE1 LYS 82 11.439 -14.789 24.277 712 HZ1 LYS 82 HZ1 LYS 82 13.848 -13.357 25.258 713 HZ2 LYS 82 HZ2 LYS 82 13.518 -13.705 23.637 714 HZ3 LYS 82 HZ3 LYS 82 13.785 -14.963 24.733 715 H LEU 83 HN LEU 83 10.282 -9.507 26.578 716 HA LEU 83 HA LEU 83 13.115 -9.879 26.810 717 HB2 LEU 83 HB2 LEU 83 11.880 -8.416 25.130 718 HB3 LEU 83 HB1 LEU 83 11.622 -7.274 26.430 719 HG LEU 83 HG LEU 83 13.515 -6.741 24.841 720 HD11 LEU 83 HD11 LEU 83 15.048 -5.966 26.558 721 HD12 LEU 83 HD12 LEU 83 14.278 -7.018 27.745 722 HD13 LEU 83 HD13 LEU 83 13.373 -5.681 27.033 723 HD21 LEU 83 HD21 LEU 83 15.646 -7.904 25.159 724 HD22 LEU 83 HD22 LEU 83 14.399 -8.987 24.540 725 HD23 LEU 83 HD23 LEU 83 14.857 -9.053 26.242 726 H ILE 84 HN ILE 84 10.630 -8.241 28.742 727 HA ILE 84 HA ILE 84 12.676 -7.361 30.671 728 HB ILE 84 HB ILE 84 10.906 -5.968 31.675 729 HG12 ILE 84 HG12 ILE 84 9.181 -6.986 29.390 730 HG13 ILE 84 HG11 ILE 84 8.960 -7.382 31.090 731 HG21 ILE 84 HG21 ILE 84 10.721 -4.354 29.836 732 HG22 ILE 84 HG22 ILE 84 11.227 -5.600 28.695 733 HG23 ILE 84 HG23 ILE 84 12.342 -5.039 29.941 734 HD11 ILE 84 HD11 ILE 84 7.372 -5.708 30.380 735 HD12 ILE 84 HD12 ILE 84 8.682 -4.652 29.852 736 HD13 ILE 84 HD13 ILE 84 8.486 -5.028 31.565 737 H GLU 85 HN GLU 85 10.128 -9.668 30.300 738 HA GLU 85 HA GLU 85 10.669 -10.685 32.998 739 HB2 GLU 85 HB2 GLU 85 7.892 -10.177 31.901 740 HB3 GLU 85 HB1 GLU 85 8.222 -11.153 33.326 741 HG2 GLU 85 HG2 GLU 85 9.343 -9.120 34.318 742 HG3 GLU 85 HG1 GLU 85 8.687 -8.200 32.965 743 HA PRO 86 HA PRO 86 10.936 -14.511 30.764 744 HB2 PRO 86 HB2 PRO 86 10.708 -16.272 32.831 745 HB3 PRO 86 HB1 PRO 86 12.170 -15.328 32.525 746 HG2 PRO 86 HG2 PRO 86 9.953 -14.804 34.480 747 HG3 PRO 86 HG1 PRO 86 11.708 -14.681 34.720 748 HD2 PRO 86 HD2 PRO 86 10.156 -12.511 34.258 749 HD3 PRO 86 HD1 PRO 86 11.831 -12.615 33.679 750 H ALA 87 HN ALA 87 8.811 -13.970 29.754 751 HA ALA 87 HA ALA 87 6.862 -16.059 30.386 752 HB1 ALA 87 HB1 ALA 87 6.084 -14.109 31.658 753 HB2 ALA 87 HB2 ALA 87 4.964 -14.515 30.356 754 HB3 ALA 87 HB3 ALA 87 6.066 -13.148 30.178 755 H HIS 88 HN HIS 88 6.915 -17.141 28.483 756 HA HIS 88 HA HIS 88 6.097 -15.775 26.057 757 HB2 HIS 88 HB2 HIS 88 8.026 -16.568 24.733 758 HB3 HIS 88 HB1 HIS 88 8.504 -15.431 25.984 759 HD1 HIS 88 HD1 HIS 88 8.936 -18.955 24.881 760 HD2 HIS 88 HD2 HIS 88 10.035 -16.541 28.085 761 HE1 HIS 88 HE1 HIS 88 10.722 -20.227 26.105 762 HE2 HIS 88 HE2 HIS 88 11.454 -18.702 27.967 763 H GLN 89 HN GLN 89 5.401 -17.213 24.373 764 HA GLN 89 HA GLN 89 4.794 -19.922 25.388 765 HB2 GLN 89 HB2 GLN 89 3.072 -18.158 23.632 766 HB3 GLN 89 HB1 GLN 89 2.685 -19.807 24.094 767 HG2 GLN 89 HG2 GLN 89 1.425 -18.622 25.594 768 HG3 GLN 89 HG1 GLN 89 2.894 -18.889 26.528 769 HE21 GLN 89 HE21 GLN 89 0.887 -16.833 26.829 770 HE22 GLN 89 HE22 GLN 89 1.709 -15.324 26.673 771 H HIS 90 HN HIS 90 4.454 -18.357 22.181 772 HA HIS 90 HA HIS 90 5.975 -20.585 20.997 773 HB2 HIS 90 HB2 HIS 90 3.477 -21.038 20.991 774 HB3 HIS 90 HB1 HIS 90 3.301 -19.663 19.908 775 HD1 HIS 90 HD1 HIS 90 4.465 -19.931 17.510 776 HD2 HIS 90 HD2 HIS 90 4.208 -23.391 19.801 777 HE1 HIS 90 HE1 HIS 90 4.848 -21.827 15.913 778 HE2 HIS 90 HE2 HIS 90 4.524 -23.907 17.290 779 H GLU 91 HN GLU 91 7.383 -18.480 21.090 780 HA GLU 91 HA GLU 91 7.224 -17.213 18.439 781 HB2 GLU 91 HB2 GLU 91 7.785 -15.015 19.407 782 HB3 GLU 91 HB1 GLU 91 6.237 -15.609 19.983 783 HG2 GLU 91 HG2 GLU 91 8.824 -15.751 21.533 784 HG3 GLU 91 HG1 GLU 91 7.588 -14.511 21.734 785 H ALA 92 HN ALA 92 8.934 -19.349 19.611 786 HA ALA 92 HA ALA 92 11.581 -18.064 19.547 787 HB1 ALA 92 HB1 ALA 92 11.126 -19.579 21.411 788 HB2 ALA 92 HB2 ALA 92 12.442 -20.180 20.402 789 HB3 ALA 92 HB3 ALA 92 10.835 -20.898 20.274 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 1.707 -0.511 -4.590 2 H2 MET 1 HT2 MET 1 2.288 -2.088 -4.427 3 H3 MET 1 HT3 MET 1 2.965 -0.844 -3.511 4 HA MET 1 HA MET 1 0.876 -0.520 -2.350 5 HB2 MET 1 HB2 MET 1 -0.572 -1.316 -4.186 6 HB3 MET 1 HB1 MET 1 -0.008 -2.960 -3.921 7 HG2 MET 1 HG2 MET 1 -2.251 -2.439 -2.948 8 HG3 MET 1 HG1 MET 1 -1.072 -3.072 -1.797 9 HE1 MET 1 HE1 MET 1 -3.160 -0.568 0.394 10 HE2 MET 1 HE2 MET 1 -2.582 -2.225 0.235 11 HE3 MET 1 HE3 MET 1 -3.769 -1.594 -0.906 12 H THR 2 HN THR 2 0.276 -1.841 -0.442 13 HA THR 2 HA THR 2 2.484 -2.960 0.820 14 HB THR 2 HB THR 2 0.908 -3.811 2.543 15 HG1 THR 2 HG1 THR 2 -1.308 -3.590 2.229 16 HG21 THR 2 HG21 THR 2 0.268 -1.028 1.543 17 HG22 THR 2 HG22 THR 2 1.593 -1.465 2.625 18 HG23 THR 2 HG23 THR 2 -0.079 -1.642 3.158 19 H ALA 3 HN ALA 3 3.064 -5.052 1.441 20 HA ALA 3 HA ALA 3 1.711 -7.356 0.273 21 HB1 ALA 3 HB1 ALA 3 3.708 -8.208 -0.846 22 HB2 ALA 3 HB2 ALA 3 4.592 -6.747 -0.405 23 HB3 ALA 3 HB3 ALA 3 3.227 -6.648 -1.518 24 H ALA 4 HN ALA 4 4.623 -6.276 2.038 25 HA ALA 4 HA ALA 4 3.971 -7.994 4.262 26 HB1 ALA 4 HB1 ALA 4 5.091 -9.589 2.770 27 HB2 ALA 4 HB2 ALA 4 6.029 -9.306 4.237 28 HB3 ALA 4 HB3 ALA 4 6.510 -8.544 2.719 29 HA PRO 5 HA PRO 5 6.243 -4.648 6.249 30 HB2 PRO 5 HB2 PRO 5 6.208 -5.601 8.781 31 HB3 PRO 5 HB1 PRO 5 4.766 -4.934 8.006 32 HG2 PRO 5 HG2 PRO 5 5.578 -7.804 8.342 33 HG3 PRO 5 HG1 PRO 5 3.991 -7.057 8.610 34 HD2 PRO 5 HD2 PRO 5 4.605 -8.418 6.340 35 HD3 PRO 5 HD1 PRO 5 3.478 -7.047 6.354 36 H ALA 6 HN ALA 6 7.159 -8.031 6.502 37 HA ALA 6 HA ALA 6 9.144 -9.113 6.585 38 HB1 ALA 6 HB1 ALA 6 10.299 -6.471 5.694 39 HB2 ALA 6 HB2 ALA 6 9.658 -7.731 4.638 40 HB3 ALA 6 HB3 ALA 6 11.101 -8.043 5.605 41 H SER 7 HN SER 7 10.433 -5.937 7.605 42 HA SER 7 HA SER 7 11.296 -7.232 10.119 43 HB2 SER 7 HB2 SER 7 13.124 -6.627 8.467 44 HB3 SER 7 HB1 SER 7 12.731 -4.937 8.764 45 HG SER 7 HG SER 7 13.964 -6.815 10.423 46 HA PRO 8 HA PRO 8 8.620 -4.644 12.328 47 HB2 PRO 8 HB2 PRO 8 10.672 -4.547 14.480 48 HB3 PRO 8 HB1 PRO 8 8.999 -5.114 14.533 49 HG2 PRO 8 HG2 PRO 8 10.999 -6.859 14.533 50 HG3 PRO 8 HG1 PRO 8 9.531 -7.176 13.586 51 HD2 PRO 8 HD2 PRO 8 12.207 -6.176 12.653 52 HD3 PRO 8 HD1 PRO 8 11.145 -7.396 11.917 53 H GLN 9 HN GLN 9 11.877 -3.308 11.917 54 HA GLN 9 HA GLN 9 11.543 -0.987 13.486 55 HB2 GLN 9 HB2 GLN 9 13.305 -1.122 11.032 56 HB3 GLN 9 HB1 GLN 9 13.500 -0.084 12.436 57 HG2 GLN 9 HG2 GLN 9 15.104 -1.697 12.795 58 HG3 GLN 9 HG1 GLN 9 13.748 -2.315 13.738 59 HE21 GLN 9 HE21 GLN 9 14.401 -4.448 13.607 60 HE22 GLN 9 HE22 GLN 9 14.341 -5.349 12.137 61 H GLN 10 HN GLN 10 10.938 -1.512 10.035 62 HA GLN 10 HA GLN 10 10.337 1.167 9.366 63 HB2 GLN 10 HB2 GLN 10 9.374 0.261 7.313 64 HB3 GLN 10 HB1 GLN 10 10.905 -0.523 7.680 65 HG2 GLN 10 HG2 GLN 10 9.679 -2.449 8.594 66 HG3 GLN 10 HG1 GLN 10 8.158 -1.663 8.176 67 HE21 GLN 10 HE21 GLN 10 10.973 -3.272 6.961 68 HE22 GLN 10 HE22 GLN 10 10.374 -3.534 5.359 69 H ILE 11 HN ILE 11 8.431 -1.329 10.856 70 HA ILE 11 HA ILE 11 5.858 -0.571 10.051 71 HB ILE 11 HB ILE 11 6.682 -1.925 12.633 72 HG12 ILE 11 HG12 ILE 11 5.819 -3.093 9.966 73 HG13 ILE 11 HG11 ILE 11 7.448 -3.134 10.632 74 HG21 ILE 11 HG21 ILE 11 3.983 -1.787 11.276 75 HG22 ILE 11 HG22 ILE 11 4.427 -1.052 12.817 76 HG23 ILE 11 HG23 ILE 11 4.371 -2.807 12.663 77 HD11 ILE 11 HD11 ILE 11 6.637 -4.513 12.490 78 HD12 ILE 11 HD12 ILE 11 6.362 -5.266 10.918 79 HD13 ILE 11 HD13 ILE 11 5.023 -4.502 11.776 80 H ARG 12 HN ARG 12 7.851 0.630 12.747 81 HA ARG 12 HA ARG 12 5.850 1.994 14.153 82 HB2 ARG 12 HB2 ARG 12 8.126 1.701 15.050 83 HB3 ARG 12 HB1 ARG 12 8.746 2.833 13.850 84 HG2 ARG 12 HG2 ARG 12 7.479 4.640 14.818 85 HG3 ARG 12 HG1 ARG 12 6.675 3.534 15.930 86 HD2 ARG 12 HD2 ARG 12 8.880 3.048 16.966 87 HD3 ARG 12 HD1 ARG 12 9.605 4.260 15.905 88 HE ARG 12 HE ARG 12 7.947 5.845 17.002 89 HH11 ARG 12 HH11 ARG 12 9.384 3.179 18.650 90 HH12 ARG 12 HH12 ARG 12 9.112 3.867 20.211 91 HH21 ARG 12 HH21 ARG 12 7.616 6.709 19.011 92 HH22 ARG 12 HH22 ARG 12 8.165 5.853 20.411 93 H ASP 13 HN ASP 13 7.867 3.138 11.446 94 HA ASP 13 HA ASP 13 6.868 5.759 11.300 95 HB2 ASP 13 HB2 ASP 13 8.872 4.967 10.087 96 HB3 ASP 13 HB1 ASP 13 7.847 3.996 9.034 97 H ARG 14 HN ARG 14 5.646 2.717 9.994 98 HA ARG 14 HA ARG 14 3.607 3.745 8.344 99 HB2 ARG 14 HB2 ARG 14 3.621 1.116 9.844 100 HB3 ARG 14 HB1 ARG 14 2.614 1.510 8.459 101 HG2 ARG 14 HG2 ARG 14 5.628 1.342 8.421 102 HG3 ARG 14 HG1 ARG 14 4.530 0.072 7.885 103 HD2 ARG 14 HD2 ARG 14 5.225 1.193 5.925 104 HD3 ARG 14 HD1 ARG 14 3.586 1.759 6.243 105 HE ARG 14 HE ARG 14 5.521 3.497 7.392 106 HH11 ARG 14 HH11 ARG 14 4.052 2.651 4.396 107 HH12 ARG 14 HH12 ARG 14 4.362 4.197 3.691 108 HH21 ARG 14 HH21 ARG 14 5.892 5.482 6.474 109 HH22 ARG 14 HH22 ARG 14 5.369 5.778 4.852 110 H LEU 15 HN LEU 15 3.603 2.917 11.804 111 HA LEU 15 HA LEU 15 0.856 3.412 12.268 112 HB2 LEU 15 HB2 LEU 15 3.280 3.417 14.043 113 HB3 LEU 15 HB1 LEU 15 1.728 3.937 14.670 114 HG LEU 15 HG LEU 15 0.772 1.723 14.125 115 HD11 LEU 15 HD11 LEU 15 3.593 0.981 13.365 116 HD12 LEU 15 HD12 LEU 15 2.223 1.123 12.261 117 HD13 LEU 15 HD13 LEU 15 2.227 -0.126 13.506 118 HD21 LEU 15 HD21 LEU 15 1.922 0.472 15.888 119 HD22 LEU 15 HD22 LEU 15 1.664 2.150 16.357 120 HD23 LEU 15 HD23 LEU 15 3.262 1.618 15.835 121 H LEU 16 HN LEU 16 3.692 5.547 12.612 122 HA LEU 16 HA LEU 16 2.219 7.751 13.620 123 HB2 LEU 16 HB2 LEU 16 4.995 7.436 12.539 124 HB3 LEU 16 HB1 LEU 16 4.362 9.040 12.865 125 HG LEU 16 HG LEU 16 3.953 8.370 15.228 126 HD11 LEU 16 HD11 LEU 16 5.414 5.842 14.465 127 HD12 LEU 16 HD12 LEU 16 3.716 5.966 14.933 128 HD13 LEU 16 HD13 LEU 16 4.982 6.334 16.104 129 HD21 LEU 16 HD21 LEU 16 6.291 8.414 15.930 130 HD22 LEU 16 HD22 LEU 16 5.999 9.550 14.612 131 HD23 LEU 16 HD23 LEU 16 6.799 8.011 14.288 132 H GLN 17 HN GLN 17 2.975 6.788 10.307 133 HA GLN 17 HA GLN 17 2.022 9.274 9.193 134 HB2 GLN 17 HB2 GLN 17 2.196 8.196 7.018 135 HB3 GLN 17 HB1 GLN 17 3.636 7.868 7.964 136 HG2 GLN 17 HG2 GLN 17 3.221 5.822 7.004 137 HG3 GLN 17 HG1 GLN 17 2.439 5.649 8.572 138 HE21 GLN 17 HE21 GLN 17 1.021 4.079 7.880 139 HE22 GLN 17 HE22 GLN 17 -0.280 4.395 6.792 140 H ALA 18 HN ALA 18 0.496 6.627 10.599 141 HA ALA 18 HA ALA 18 -2.015 7.023 9.107 142 HB1 ALA 18 HB1 ALA 18 -1.177 4.728 9.219 143 HB2 ALA 18 HB2 ALA 18 -2.724 4.889 10.050 144 HB3 ALA 18 HB3 ALA 18 -1.230 4.791 10.981 145 H ILE 19 HN ILE 19 -0.555 7.919 12.035 146 HA ILE 19 HA ILE 19 -3.190 8.665 13.145 147 HB ILE 19 HB ILE 19 -2.387 8.306 15.426 148 HG12 ILE 19 HG12 ILE 19 0.100 7.138 14.136 149 HG13 ILE 19 HG11 ILE 19 0.027 8.658 15.018 150 HG21 ILE 19 HG21 ILE 19 -2.394 5.858 15.444 151 HG22 ILE 19 HG22 ILE 19 -2.069 5.839 13.710 152 HG23 ILE 19 HG23 ILE 19 -3.590 6.495 14.315 153 HD11 ILE 19 HD11 ILE 19 0.975 6.916 16.393 154 HD12 ILE 19 HD12 ILE 19 -0.459 5.914 16.162 155 HD13 ILE 19 HD13 ILE 19 -0.575 7.433 17.055 156 H ASP 20 HN ASP 20 -3.245 10.612 14.387 157 HA ASP 20 HA ASP 20 -1.349 12.613 13.587 158 HB2 ASP 20 HB2 ASP 20 -3.703 12.674 15.487 159 HB3 ASP 20 HB1 ASP 20 -2.684 14.076 15.191 160 HA PRO 21 HA PRO 21 1.737 12.457 16.773 161 HB2 PRO 21 HB2 PRO 21 1.304 15.411 16.982 162 HB3 PRO 21 HB1 PRO 21 2.807 14.505 16.770 163 HG2 PRO 21 HG2 PRO 21 1.721 15.773 14.706 164 HG3 PRO 21 HG1 PRO 21 2.427 14.158 14.491 165 HD2 PRO 21 HD2 PRO 21 -0.454 14.960 14.681 166 HD3 PRO 21 HD1 PRO 21 0.309 13.730 13.650 167 H GLN 22 HN GLN 22 -1.368 13.946 17.381 168 HA GLN 22 HA GLN 22 -0.997 14.057 20.259 169 HB2 GLN 22 HB2 GLN 22 -2.476 15.647 18.920 170 HB3 GLN 22 HB1 GLN 22 -3.614 14.316 18.762 171 HG2 GLN 22 HG2 GLN 22 -3.516 14.206 21.339 172 HG3 GLN 22 HG1 GLN 22 -2.796 15.809 21.234 173 HE21 GLN 22 HE21 GLN 22 -5.282 14.613 19.062 174 HE22 GLN 22 HE22 GLN 22 -6.527 15.665 19.615 175 H SER 23 HN SER 23 -0.924 11.456 18.601 176 HA SER 23 HA SER 23 -1.248 9.263 19.093 177 HB2 SER 23 HB2 SER 23 -2.346 10.331 21.706 178 HB3 SER 23 HB1 SER 23 -1.978 8.636 21.383 179 HG SER 23 HG SER 23 -0.281 9.787 22.469 180 H ASN 24 HN ASN 24 -3.540 10.955 17.914 181 HA ASN 24 HA ASN 24 -5.688 9.001 18.467 182 HB2 ASN 24 HB2 ASN 24 -7.292 10.678 17.662 183 HB3 ASN 24 HB1 ASN 24 -6.352 11.289 19.019 184 HD21 ASN 24 HD21 ASN 24 -4.721 12.833 18.606 185 HD22 ASN 24 HD22 ASN 24 -4.778 13.817 17.181 186 H ILE 25 HN ILE 25 -6.964 8.237 16.662 187 HA ILE 25 HA ILE 25 -5.285 7.365 14.538 188 HB ILE 25 HB ILE 25 -8.299 7.130 14.770 189 HG12 ILE 25 HG12 ILE 25 -7.133 6.139 16.702 190 HG13 ILE 25 HG11 ILE 25 -7.871 4.893 15.702 191 HG21 ILE 25 HG21 ILE 25 -6.341 5.591 13.058 192 HG22 ILE 25 HG22 ILE 25 -7.557 6.738 12.496 193 HG23 ILE 25 HG23 ILE 25 -8.055 5.217 13.235 194 HD11 ILE 25 HD11 ILE 25 -4.956 5.654 15.694 195 HD12 ILE 25 HD12 ILE 25 -5.699 4.379 14.729 196 HD13 ILE 25 HD13 ILE 25 -5.656 4.244 16.486 197 H ARG 26 HN ARG 26 -4.903 8.228 12.578 198 HA ARG 26 HA ARG 26 -6.527 10.521 11.688 199 HB2 ARG 26 HB2 ARG 26 -3.842 10.320 11.912 200 HB3 ARG 26 HB1 ARG 26 -4.023 9.747 10.265 201 HG2 ARG 26 HG2 ARG 26 -5.032 12.401 11.281 202 HG3 ARG 26 HG1 ARG 26 -3.497 12.159 10.458 203 HD2 ARG 26 HD2 ARG 26 -4.874 12.914 8.767 204 HD3 ARG 26 HD1 ARG 26 -4.938 11.167 8.552 205 HE ARG 26 HE ARG 26 -7.084 11.516 10.038 206 HH11 ARG 26 HH11 ARG 26 -5.970 13.461 7.416 207 HH12 ARG 26 HH12 ARG 26 -7.570 13.941 6.969 208 HH21 ARG 26 HH21 ARG 26 -9.128 12.173 9.441 209 HH22 ARG 26 HH22 ARG 26 -9.320 13.226 8.083 210 H ASN 27 HN ASN 27 -5.198 7.437 10.577 211 HA ASN 27 HA ASN 27 -7.186 7.358 8.405 212 HB2 ASN 27 HB2 ASN 27 -4.904 8.005 7.574 213 HB3 ASN 27 HB1 ASN 27 -4.298 6.462 8.158 214 HD21 ASN 27 HD21 ASN 27 -4.342 7.547 5.475 215 HD22 ASN 27 HD22 ASN 27 -5.224 6.418 4.508 216 H MET 28 HN MET 28 -8.524 5.854 9.373 217 HA MET 28 HA MET 28 -7.670 3.651 10.904 218 HB2 MET 28 HB2 MET 28 -9.945 4.575 11.049 219 HB3 MET 28 HB1 MET 28 -10.283 4.020 9.414 220 HG2 MET 28 HG2 MET 28 -10.045 1.707 10.124 221 HG3 MET 28 HG1 MET 28 -9.622 2.231 11.752 222 HE1 MET 28 HE1 MET 28 -12.442 1.988 9.045 223 HE2 MET 28 HE2 MET 28 -12.408 3.725 9.350 224 HE3 MET 28 HE3 MET 28 -13.801 2.768 9.853 225 H VAL 29 HN VAL 29 -8.394 3.941 7.450 226 HA VAL 29 HA VAL 29 -8.280 1.221 6.764 227 HB VAL 29 HB VAL 29 -7.384 3.566 5.066 228 HG11 VAL 29 HG11 VAL 29 -6.670 1.420 4.147 229 HG12 VAL 29 HG12 VAL 29 -7.950 2.121 3.158 230 HG13 VAL 29 HG13 VAL 29 -8.317 0.802 4.269 231 HG21 VAL 29 HG21 VAL 29 -10.120 2.317 5.371 232 HG22 VAL 29 HG22 VAL 29 -9.689 3.556 4.191 233 HG23 VAL 29 HG23 VAL 29 -9.635 3.923 5.916 234 H ALA 30 HN ALA 30 -5.690 3.607 7.146 235 HA ALA 30 HA ALA 30 -3.586 1.966 6.161 236 HB1 ALA 30 HB1 ALA 30 -3.410 4.405 6.265 237 HB2 ALA 30 HB2 ALA 30 -2.085 3.626 7.130 238 HB3 ALA 30 HB3 ALA 30 -3.430 4.333 8.027 239 H VAL 31 HN VAL 31 -4.741 2.646 9.482 240 HA VAL 31 HA VAL 31 -2.787 1.067 10.783 241 HB VAL 31 HB VAL 31 -4.138 1.148 12.782 242 HG11 VAL 31 HG11 VAL 31 -2.914 3.168 12.188 243 HG12 VAL 31 HG12 VAL 31 -4.413 3.572 13.026 244 HG13 VAL 31 HG13 VAL 31 -4.303 3.761 11.275 245 HG21 VAL 31 HG21 VAL 31 -6.399 2.082 12.829 246 HG22 VAL 31 HG22 VAL 31 -6.330 0.635 11.823 247 HG23 VAL 31 HG23 VAL 31 -6.383 2.228 11.072 248 H LEU 32 HN LEU 32 -5.980 0.238 9.472 249 HA LEU 32 HA LEU 32 -6.252 -2.340 10.495 250 HB2 LEU 32 HB2 LEU 32 -7.094 -1.229 7.817 251 HB3 LEU 32 HB1 LEU 32 -7.563 -2.820 8.390 252 HG LEU 32 HG LEU 32 -8.270 -0.204 9.739 253 HD11 LEU 32 HD11 LEU 32 -9.434 -0.503 7.600 254 HD12 LEU 32 HD12 LEU 32 -10.537 -0.627 8.969 255 HD13 LEU 32 HD13 LEU 32 -10.002 -2.086 8.135 256 HD21 LEU 32 HD21 LEU 32 -9.086 -3.043 10.363 257 HD22 LEU 32 HD22 LEU 32 -9.777 -1.599 11.106 258 HD23 LEU 32 HD23 LEU 32 -8.076 -1.993 11.358 259 H GLU 33 HN GLU 33 -4.434 -1.273 7.620 260 HA GLU 33 HA GLU 33 -3.542 -3.851 6.849 261 HB2 GLU 33 HB2 GLU 33 -2.572 -1.064 6.277 262 HB3 GLU 33 HB1 GLU 33 -1.599 -2.446 5.787 263 HG2 GLU 33 HG2 GLU 33 -4.454 -1.921 4.960 264 HG3 GLU 33 HG1 GLU 33 -3.020 -1.649 3.970 265 H VAL 34 HN VAL 34 -2.260 -1.501 9.151 266 HA VAL 34 HA VAL 34 0.178 -2.794 9.715 267 HB VAL 34 HB VAL 34 -1.570 -1.163 11.580 268 HG11 VAL 34 HG11 VAL 34 0.478 -0.828 12.905 269 HG12 VAL 34 HG12 VAL 34 1.333 -1.959 11.857 270 HG13 VAL 34 HG13 VAL 34 -0.007 -2.522 12.855 271 HG21 VAL 34 HG21 VAL 34 -0.887 0.085 9.595 272 HG22 VAL 34 HG22 VAL 34 0.799 -0.352 9.880 273 HG23 VAL 34 HG23 VAL 34 -0.048 0.690 11.025 274 H ILE 35 HN ILE 35 -3.003 -3.106 11.327 275 HA ILE 35 HA ILE 35 -2.292 -5.168 13.100 276 HB ILE 35 HB ILE 35 -4.944 -4.326 11.944 277 HG12 ILE 35 HG12 ILE 35 -5.418 -3.785 14.336 278 HG13 ILE 35 HG11 ILE 35 -3.793 -4.312 14.755 279 HG21 ILE 35 HG21 ILE 35 -5.132 -6.732 12.177 280 HG22 ILE 35 HG22 ILE 35 -6.075 -5.935 13.433 281 HG23 ILE 35 HG23 ILE 35 -4.512 -6.650 13.825 282 HD11 ILE 35 HD11 ILE 35 -2.858 -2.510 13.408 283 HD12 ILE 35 HD12 ILE 35 -3.962 -1.892 14.638 284 HD13 ILE 35 HD13 ILE 35 -4.485 -1.998 12.957 285 H SER 36 HN SER 36 -3.752 -5.392 9.840 286 HA SER 36 HA SER 36 -4.003 -8.186 9.743 287 HB2 SER 36 HB2 SER 36 -4.157 -7.944 7.303 288 HB3 SER 36 HB1 SER 36 -5.092 -6.680 8.108 289 HG SER 36 HG SER 36 -3.808 -5.854 6.392 290 H SER 37 HN SER 37 -1.306 -6.087 8.821 291 HA SER 37 HA SER 37 0.425 -8.122 7.877 292 HB2 SER 37 HB2 SER 37 1.027 -5.377 9.009 293 HB3 SER 37 HB1 SER 37 2.246 -6.426 8.287 294 HG SER 37 HG SER 37 0.098 -5.081 7.082 295 H LEU 38 HN LEU 38 0.173 -6.577 11.089 296 HA LEU 38 HA LEU 38 2.278 -7.990 12.300 297 HB2 LEU 38 HB2 LEU 38 -0.030 -6.396 13.269 298 HB3 LEU 38 HB1 LEU 38 0.716 -7.476 14.430 299 HG LEU 38 HG LEU 38 2.874 -6.371 14.133 300 HD11 LEU 38 HD11 LEU 38 3.072 -4.316 12.802 301 HD12 LEU 38 HD12 LEU 38 1.444 -4.577 12.175 302 HD13 LEU 38 HD13 LEU 38 2.727 -5.729 11.805 303 HD21 LEU 38 HD21 LEU 38 1.344 -5.502 15.829 304 HD22 LEU 38 HD22 LEU 38 0.646 -4.394 14.647 305 HD23 LEU 38 HD23 LEU 38 2.330 -4.214 15.140 306 H GLU 39 HN GLU 39 -1.101 -8.896 11.835 307 HA GLU 39 HA GLU 39 -1.125 -11.195 13.469 308 HB2 GLU 39 HB2 GLU 39 -2.594 -10.682 10.872 309 HB3 GLU 39 HB1 GLU 39 -2.948 -12.001 11.977 310 HG2 GLU 39 HG2 GLU 39 -3.546 -10.365 13.714 311 HG3 GLU 39 HG1 GLU 39 -3.225 -9.060 12.572 312 H LYS 40 HN LYS 40 0.224 -10.605 10.305 313 HA LYS 40 HA LYS 40 0.812 -13.451 9.882 314 HB2 LYS 40 HB2 LYS 40 1.225 -11.073 8.046 315 HB3 LYS 40 HB1 LYS 40 1.429 -12.766 7.608 316 HG2 LYS 40 HG2 LYS 40 -0.945 -13.170 7.973 317 HG3 LYS 40 HG1 LYS 40 -1.169 -11.497 8.480 318 HD2 LYS 40 HD2 LYS 40 -0.221 -12.359 5.743 319 HD3 LYS 40 HD1 LYS 40 -1.881 -11.924 6.138 320 HE2 LYS 40 HE2 LYS 40 -1.073 -9.667 6.813 321 HE3 LYS 40 HE1 LYS 40 0.543 -10.123 6.277 322 HZ1 LYS 40 HZ1 LYS 40 -0.312 -10.416 4.037 323 HZ2 LYS 40 HZ2 LYS 40 -0.654 -8.853 4.592 324 HZ3 LYS 40 HZ3 LYS 40 -1.873 -10.019 4.551 325 H TYR 41 HN TYR 41 2.336 -10.504 10.834 326 HA TYR 41 HA TYR 41 4.881 -11.918 11.192 327 HB2 TYR 41 HB2 TYR 41 4.512 -9.292 9.761 328 HB3 TYR 41 HB1 TYR 41 6.019 -9.659 10.585 329 HD1 TYR 41 HD1 TYR 41 7.489 -11.446 9.761 330 HD2 TYR 41 HD2 TYR 41 3.924 -10.399 7.678 331 HE1 TYR 41 HE1 TYR 41 8.306 -12.637 7.775 332 HE2 TYR 41 HE2 TYR 41 4.734 -11.593 5.684 333 HH TYR 41 HH TYR 41 6.820 -12.353 4.703 334 HA PRO 42 HA PRO 42 3.887 -9.810 15.129 335 HB2 PRO 42 HB2 PRO 42 5.207 -11.512 16.750 336 HB3 PRO 42 HB1 PRO 42 3.627 -11.911 16.063 337 HG2 PRO 42 HG2 PRO 42 6.354 -12.750 15.144 338 HG3 PRO 42 HG1 PRO 42 4.889 -13.733 15.326 339 HD2 PRO 42 HD2 PRO 42 5.723 -12.744 12.923 340 HD3 PRO 42 HD1 PRO 42 4.012 -13.024 13.310 341 H ILE 43 HN ILE 43 5.052 -8.302 16.263 342 HA ILE 43 HA ILE 43 7.681 -7.629 15.311 343 HB ILE 43 HB ILE 43 5.973 -6.381 17.476 344 HG12 ILE 43 HG12 ILE 43 6.540 -5.531 14.618 345 HG13 ILE 43 HG11 ILE 43 5.027 -6.210 15.206 346 HG21 ILE 43 HG21 ILE 43 7.497 -4.462 17.371 347 HG22 ILE 43 HG22 ILE 43 8.536 -5.345 16.251 348 HG23 ILE 43 HG23 ILE 43 8.331 -5.921 17.906 349 HD11 ILE 43 HD11 ILE 43 4.739 -4.250 16.657 350 HD12 ILE 43 HD12 ILE 43 4.839 -3.824 14.947 351 HD13 ILE 43 HD13 ILE 43 6.230 -3.568 16.001 352 H THR 44 HN THR 44 9.545 -8.361 16.094 353 HA THR 44 HA THR 44 9.696 -10.058 18.384 354 HB THR 44 HB THR 44 12.028 -8.832 16.880 355 HG1 THR 44 HG1 THR 44 11.737 -11.126 15.853 356 HG21 THR 44 HG21 THR 44 12.651 -9.998 18.947 357 HG22 THR 44 HG22 THR 44 13.197 -10.896 17.532 358 HG23 THR 44 HG23 THR 44 11.768 -11.429 18.415 359 H LYS 45 HN LYS 45 11.147 -9.748 20.236 360 HA LYS 45 HA LYS 45 10.635 -7.478 21.744 361 HB2 LYS 45 HB2 LYS 45 12.487 -8.264 23.229 362 HB3 LYS 45 HB1 LYS 45 11.339 -9.526 22.802 363 HG2 LYS 45 HG2 LYS 45 12.866 -10.493 21.229 364 HG3 LYS 45 HG1 LYS 45 13.977 -9.132 21.392 365 HD2 LYS 45 HD2 LYS 45 13.246 -10.938 23.699 366 HD3 LYS 45 HD1 LYS 45 14.611 -11.259 22.628 367 HE2 LYS 45 HE2 LYS 45 14.247 -8.721 24.229 368 HE3 LYS 45 HE1 LYS 45 15.242 -10.086 24.730 369 HZ1 LYS 45 HZ1 LYS 45 15.657 -8.441 22.282 370 HZ2 LYS 45 HZ2 LYS 45 16.595 -9.769 22.734 371 HZ3 LYS 45 HZ3 LYS 45 16.584 -8.382 23.694 372 H GLU 46 HN GLU 46 13.184 -8.015 19.435 373 HA GLU 46 HA GLU 46 15.135 -6.214 20.255 374 HB2 GLU 46 HB2 GLU 46 14.369 -6.804 17.386 375 HB3 GLU 46 HB1 GLU 46 15.936 -6.259 17.966 376 HG2 GLU 46 HG2 GLU 46 14.656 -8.926 18.555 377 HG3 GLU 46 HG1 GLU 46 15.964 -8.629 17.412 378 H ALA 47 HN ALA 47 12.326 -5.660 18.171 379 HA ALA 47 HA ALA 47 12.900 -2.950 17.581 380 HB1 ALA 47 HB1 ALA 47 10.266 -4.412 17.478 381 HB2 ALA 47 HB2 ALA 47 11.451 -4.309 16.175 382 HB3 ALA 47 HB3 ALA 47 10.614 -2.856 16.724 383 H LEU 48 HN LEU 48 11.100 -4.489 20.207 384 HA LEU 48 HA LEU 48 9.769 -2.166 21.120 385 HB2 LEU 48 HB2 LEU 48 10.513 -4.743 22.479 386 HB3 LEU 48 HB1 LEU 48 9.713 -3.449 23.349 387 HG LEU 48 HG LEU 48 7.827 -3.588 21.709 388 HD11 LEU 48 HD11 LEU 48 9.261 -6.067 20.766 389 HD12 LEU 48 HD12 LEU 48 9.003 -4.593 19.833 390 HD13 LEU 48 HD13 LEU 48 7.626 -5.584 20.312 391 HD21 LEU 48 HD21 LEU 48 7.698 -4.673 23.888 392 HD22 LEU 48 HD22 LEU 48 8.454 -6.122 23.223 393 HD23 LEU 48 HD23 LEU 48 6.860 -5.620 22.659 394 H GLU 49 HN GLU 49 12.858 -3.641 22.182 395 HA GLU 49 HA GLU 49 13.451 -1.500 23.996 396 HB2 GLU 49 HB2 GLU 49 15.152 -3.715 22.850 397 HB3 GLU 49 HB1 GLU 49 15.769 -2.532 23.997 398 HG2 GLU 49 HG2 GLU 49 14.016 -3.255 25.608 399 HG3 GLU 49 HG1 GLU 49 13.545 -4.516 24.468 400 H GLU 50 HN GLU 50 14.623 -2.302 20.718 401 HA GLU 50 HA GLU 50 16.470 -0.079 20.699 402 HB2 GLU 50 HB2 GLU 50 16.992 -2.210 19.579 403 HB3 GLU 50 HB1 GLU 50 15.656 -1.956 18.466 404 HG2 GLU 50 HG2 GLU 50 17.630 -1.360 17.313 405 HG3 GLU 50 HG1 GLU 50 16.804 0.145 17.708 406 H THR 51 HN THR 51 13.602 -0.892 18.714 407 HA THR 51 HA THR 51 13.486 1.790 17.609 408 HB THR 51 HB THR 51 11.355 -0.347 17.329 409 HG1 THR 51 HG1 THR 51 13.679 -0.011 15.695 410 HG21 THR 51 HG21 THR 51 12.213 1.928 15.524 411 HG22 THR 51 HG22 THR 51 10.737 1.866 16.487 412 HG23 THR 51 HG23 THR 51 10.966 0.743 15.146 413 H ARG 52 HN ARG 52 12.754 0.647 20.537 414 HA ARG 52 HA ARG 52 11.548 1.338 22.318 415 HB2 ARG 52 HB2 ARG 52 10.966 3.852 20.746 416 HB3 ARG 52 HB1 ARG 52 10.995 3.663 22.495 417 HG2 ARG 52 HG2 ARG 52 13.493 3.012 22.121 418 HG3 ARG 52 HG1 ARG 52 13.278 3.816 20.565 419 HD2 ARG 52 HD2 ARG 52 14.043 5.545 21.900 420 HD3 ARG 52 HD1 ARG 52 12.294 5.759 21.996 421 HE ARG 52 HE ARG 52 14.059 4.751 24.102 422 HH11 ARG 52 HH11 ARG 52 10.864 5.597 23.123 423 HH12 ARG 52 HH12 ARG 52 10.275 5.634 24.746 424 HH21 ARG 52 HH21 ARG 52 13.288 4.809 26.159 425 HH22 ARG 52 HH22 ARG 52 11.622 5.189 26.439 426 H LEU 53 HN LEU 53 10.148 -0.280 20.461 427 HA LEU 53 HA LEU 53 7.470 0.792 20.213 428 HB2 LEU 53 HB2 LEU 53 8.613 -1.931 19.590 429 HB3 LEU 53 HB1 LEU 53 6.929 -1.508 19.343 430 HG LEU 53 HG LEU 53 9.304 -0.247 17.956 431 HD11 LEU 53 HD11 LEU 53 7.108 -2.039 16.910 432 HD12 LEU 53 HD12 LEU 53 8.799 -2.487 17.140 433 HD13 LEU 53 HD13 LEU 53 8.365 -1.272 15.938 434 HD21 LEU 53 HD21 LEU 53 7.628 0.974 16.634 435 HD22 LEU 53 HD22 LEU 53 7.571 1.413 18.340 436 HD23 LEU 53 HD23 LEU 53 6.352 0.329 17.668 437 H GLY 54 HN GLY 54 9.121 -0.552 22.792 438 HA2 GLY 54 HA2 GLY 54 7.216 -2.254 23.979 439 HA3 GLY 54 HA1 GLY 54 8.415 -1.321 24.855 440 H LYS 55 HN LYS 55 7.531 1.278 24.107 441 HA LYS 55 HA LYS 55 5.487 1.835 25.927 442 HB2 LYS 55 HB2 LYS 55 7.103 3.509 25.048 443 HB3 LYS 55 HB1 LYS 55 6.260 3.485 23.506 444 HG2 LYS 55 HG2 LYS 55 5.627 5.429 24.856 445 HG3 LYS 55 HG1 LYS 55 4.247 4.368 24.560 446 HD2 LYS 55 HD2 LYS 55 4.513 3.397 26.806 447 HD3 LYS 55 HD1 LYS 55 5.897 4.450 27.099 448 HE2 LYS 55 HE2 LYS 55 3.086 5.408 26.538 449 HE3 LYS 55 HE1 LYS 55 3.796 5.262 28.144 450 HZ1 LYS 55 HZ1 LYS 55 4.699 7.060 25.962 451 HZ2 LYS 55 HZ2 LYS 55 5.521 6.853 27.425 452 HZ3 LYS 55 HZ3 LYS 55 3.966 7.514 27.415 453 H LEU 56 HN LEU 56 5.318 0.926 22.552 454 HA LEU 56 HA LEU 56 2.751 1.746 21.864 455 HB2 LEU 56 HB2 LEU 56 4.349 0.821 20.257 456 HB3 LEU 56 HB1 LEU 56 4.214 -0.757 21.006 457 HG LEU 56 HG LEU 56 1.839 -0.875 20.307 458 HD11 LEU 56 HD11 LEU 56 0.948 0.742 18.718 459 HD12 LEU 56 HD12 LEU 56 2.418 1.707 18.856 460 HD13 LEU 56 HD13 LEU 56 1.352 1.519 20.249 461 HD21 LEU 56 HD21 LEU 56 3.580 -1.859 18.901 462 HD22 LEU 56 HD22 LEU 56 3.774 -0.326 18.049 463 HD23 LEU 56 HD23 LEU 56 2.259 -1.222 17.923 464 H ILE 57 HN ILE 57 3.754 -1.032 23.792 465 HA ILE 57 HA ILE 57 1.349 -2.467 23.878 466 HB ILE 57 HB ILE 57 3.466 -2.097 26.012 467 HG12 ILE 57 HG12 ILE 57 2.995 -4.343 24.026 468 HG13 ILE 57 HG11 ILE 57 4.256 -3.121 23.905 469 HG21 ILE 57 HG21 ILE 57 1.274 -4.175 25.917 470 HG22 ILE 57 HG22 ILE 57 1.367 -2.825 27.046 471 HG23 ILE 57 HG23 ILE 57 2.582 -4.100 27.096 472 HD11 ILE 57 HD11 ILE 57 5.122 -5.240 24.727 473 HD12 ILE 57 HD12 ILE 57 4.010 -5.175 26.094 474 HD13 ILE 57 HD13 ILE 57 5.288 -3.970 25.939 475 H ASN 58 HN ASN 58 2.476 0.188 25.972 476 HA ASN 58 HA ASN 58 0.026 0.454 27.429 477 HB2 ASN 58 HB2 ASN 58 2.208 1.223 28.312 478 HB3 ASN 58 HB1 ASN 58 2.292 2.436 27.042 479 HD21 ASN 58 HD21 ASN 58 0.774 1.508 30.015 480 HD22 ASN 58 HD22 ASN 58 0.020 3.030 30.335 481 H ASP 59 HN ASP 59 1.283 1.747 24.451 482 HA ASP 59 HA ASP 59 -0.415 4.012 24.234 483 HB2 ASP 59 HB2 ASP 59 1.733 3.881 23.099 484 HB3 ASP 59 HB1 ASP 59 1.188 2.496 22.161 485 H VAL 60 HN VAL 60 -0.634 0.727 22.864 486 HA VAL 60 HA VAL 60 -2.882 1.339 21.203 487 HB VAL 60 HB VAL 60 -1.252 -0.428 20.632 488 HG11 VAL 60 HG11 VAL 60 -2.493 -1.987 22.906 489 HG12 VAL 60 HG12 VAL 60 -0.859 -1.325 22.874 490 HG13 VAL 60 HG13 VAL 60 -1.314 -2.602 21.747 491 HG21 VAL 60 HG21 VAL 60 -4.095 -1.416 20.933 492 HG22 VAL 60 HG22 VAL 60 -2.879 -2.111 19.862 493 HG23 VAL 60 HG23 VAL 60 -3.455 -0.466 19.592 494 H ARG 61 HN ARG 61 -2.543 0.219 24.491 495 HA ARG 61 HA ARG 61 -4.859 -1.290 24.798 496 HB2 ARG 61 HB2 ARG 61 -3.037 -1.148 26.462 497 HB3 ARG 61 HB1 ARG 61 -3.563 0.478 26.880 498 HG2 ARG 61 HG2 ARG 61 -5.717 -0.408 27.639 499 HG3 ARG 61 HG1 ARG 61 -5.196 -2.039 27.213 500 HD2 ARG 61 HD2 ARG 61 -3.334 -1.827 28.835 501 HD3 ARG 61 HD1 ARG 61 -3.950 -0.239 29.296 502 HE ARG 61 HE ARG 61 -5.842 -2.419 29.537 503 HH11 ARG 61 HH11 ARG 61 -3.461 -0.501 31.117 504 HH12 ARG 61 HH12 ARG 61 -4.039 -0.873 32.700 505 HH21 ARG 61 HH21 ARG 61 -6.580 -2.902 31.585 506 HH22 ARG 61 HH22 ARG 61 -5.787 -2.216 32.961 507 H LYS 62 HN LYS 62 -4.479 2.221 25.428 508 HA LYS 62 HA LYS 62 -7.367 2.494 25.686 509 HB2 LYS 62 HB2 LYS 62 -6.718 5.001 25.966 510 HB3 LYS 62 HB1 LYS 62 -6.388 3.861 27.256 511 HG2 LYS 62 HG2 LYS 62 -4.520 5.335 27.018 512 HG3 LYS 62 HG1 LYS 62 -4.037 3.723 26.496 513 HD2 LYS 62 HD2 LYS 62 -4.113 4.357 24.198 514 HD3 LYS 62 HD1 LYS 62 -4.915 5.883 24.577 515 HE2 LYS 62 HE2 LYS 62 -2.463 6.073 24.044 516 HE3 LYS 62 HE1 LYS 62 -2.943 6.763 25.595 517 HZ1 LYS 62 HZ1 LYS 62 -2.059 4.901 26.734 518 HZ2 LYS 62 HZ2 LYS 62 -0.874 5.408 25.642 519 HZ3 LYS 62 HZ3 LYS 62 -1.809 4.041 25.302 520 H LYS 63 HN LYS 63 -5.122 2.631 23.167 521 HA LYS 63 HA LYS 63 -6.674 4.504 21.543 522 HB2 LYS 63 HB2 LYS 63 -4.164 4.560 21.629 523 HB3 LYS 63 HB1 LYS 63 -4.151 2.999 20.823 524 HG2 LYS 63 HG2 LYS 63 -5.262 3.995 18.876 525 HG3 LYS 63 HG1 LYS 63 -5.275 5.562 19.689 526 HD2 LYS 63 HD2 LYS 63 -2.823 3.975 18.903 527 HD3 LYS 63 HD1 LYS 63 -3.418 5.435 18.109 528 HE2 LYS 63 HE2 LYS 63 -3.024 6.720 20.140 529 HE3 LYS 63 HE1 LYS 63 -2.506 5.264 20.984 530 HZ1 LYS 63 HZ1 LYS 63 -0.692 5.075 19.347 531 HZ2 LYS 63 HZ2 LYS 63 -0.589 6.454 20.314 532 HZ3 LYS 63 HZ3 LYS 63 -1.131 6.583 18.715 533 H THR 64 HN THR 64 -6.994 1.342 22.276 534 HA THR 64 HA THR 64 -7.286 0.041 19.794 535 HB THR 64 HB THR 64 -7.174 -1.272 21.830 536 HG1 THR 64 HG1 THR 64 -9.405 -2.390 21.452 537 HG21 THR 64 HG21 THR 64 -9.038 -1.354 23.429 538 HG22 THR 64 HG22 THR 64 -9.863 -0.073 22.541 539 HG23 THR 64 HG23 THR 64 -8.335 0.261 23.356 540 H LYS 65 HN LYS 65 -9.057 -0.332 18.463 541 HA LYS 65 HA LYS 65 -11.104 1.698 18.446 542 HB2 LYS 65 HB2 LYS 65 -10.063 0.887 16.358 543 HB3 LYS 65 HB1 LYS 65 -10.739 -0.712 16.645 544 HG2 LYS 65 HG2 LYS 65 -13.001 0.199 16.455 545 HG3 LYS 65 HG1 LYS 65 -12.332 1.812 16.200 546 HD2 LYS 65 HD2 LYS 65 -11.231 1.030 14.149 547 HD3 LYS 65 HD1 LYS 65 -11.904 -0.582 14.400 548 HE2 LYS 65 HE2 LYS 65 -13.211 0.656 12.762 549 HE3 LYS 65 HE1 LYS 65 -14.171 0.339 14.205 550 HZ1 LYS 65 HZ1 LYS 65 -12.777 2.900 13.638 551 HZ2 LYS 65 HZ2 LYS 65 -13.831 2.590 14.924 552 HZ3 LYS 65 HZ3 LYS 65 -14.415 2.613 13.336 553 H ASN 66 HN ASN 66 -10.957 -1.768 19.118 554 HA ASN 66 HA ASN 66 -13.720 -1.634 20.157 555 HB2 ASN 66 HB2 ASN 66 -13.759 -2.927 18.111 556 HB3 ASN 66 HB1 ASN 66 -12.402 -3.908 18.653 557 HD21 ASN 66 HD21 ASN 66 -13.596 -5.802 18.406 558 HD22 ASN 66 HD22 ASN 66 -14.862 -6.235 19.498 559 H GLU 67 HN GLU 67 -14.005 -2.314 22.221 560 HA GLU 67 HA GLU 67 -11.820 -2.945 23.888 561 HB2 GLU 67 HB2 GLU 67 -14.787 -3.319 24.348 562 HB3 GLU 67 HB1 GLU 67 -13.562 -3.522 25.595 563 HG2 GLU 67 HG2 GLU 67 -12.872 -1.152 25.204 564 HG3 GLU 67 HG1 GLU 67 -14.251 -0.987 24.117 565 H GLU 68 HN GLU 68 -14.256 -5.051 22.356 566 HA GLU 68 HA GLU 68 -13.400 -7.465 23.554 567 HB2 GLU 68 HB2 GLU 68 -14.735 -7.020 20.874 568 HB3 GLU 68 HB1 GLU 68 -14.535 -8.589 21.642 569 HG2 GLU 68 HG2 GLU 68 -15.869 -7.742 23.571 570 HG3 GLU 68 HG1 GLU 68 -16.174 -6.271 22.647 571 H LEU 69 HN LEU 69 -12.308 -5.759 20.661 572 HA LEU 69 HA LEU 69 -10.412 -7.706 19.827 573 HB2 LEU 69 HB2 LEU 69 -11.339 -5.785 18.457 574 HB3 LEU 69 HB1 LEU 69 -10.299 -4.714 19.368 575 HG LEU 69 HG LEU 69 -9.494 -5.402 17.055 576 HD11 LEU 69 HD11 LEU 69 -7.632 -5.988 19.358 577 HD12 LEU 69 HD12 LEU 69 -7.997 -4.388 18.714 578 HD13 LEU 69 HD13 LEU 69 -7.162 -5.572 17.709 579 HD21 LEU 69 HD21 LEU 69 -8.948 -8.017 18.468 580 HD22 LEU 69 HD22 LEU 69 -8.381 -7.574 16.858 581 HD23 LEU 69 HD23 LEU 69 -10.107 -7.760 17.163 582 H ALA 70 HN ALA 70 -10.272 -4.930 22.014 583 HA ALA 70 HA ALA 70 -7.539 -4.863 22.564 584 HB1 ALA 70 HB1 ALA 70 -9.106 -3.141 23.321 585 HB2 ALA 70 HB2 ALA 70 -8.132 -3.754 24.658 586 HB3 ALA 70 HB3 ALA 70 -9.806 -4.277 24.473 587 H LYS 71 HN LYS 71 -10.052 -6.971 23.874 588 HA LYS 71 HA LYS 71 -8.549 -8.221 25.894 589 HB2 LYS 71 HB2 LYS 71 -10.669 -9.564 24.198 590 HB3 LYS 71 HB1 LYS 71 -10.179 -10.002 25.829 591 HG2 LYS 71 HG2 LYS 71 -11.683 -7.533 24.973 592 HG3 LYS 71 HG1 LYS 71 -12.291 -8.878 25.935 593 HD2 LYS 71 HD2 LYS 71 -10.113 -6.958 26.779 594 HD3 LYS 71 HD1 LYS 71 -11.791 -6.904 27.314 595 HE2 LYS 71 HE2 LYS 71 -11.542 -9.093 28.366 596 HE3 LYS 71 HE1 LYS 71 -9.875 -9.192 27.796 597 HZ1 LYS 71 HZ1 LYS 71 -10.955 -7.186 29.699 598 HZ2 LYS 71 HZ2 LYS 71 -9.367 -7.225 29.128 599 HZ3 LYS 71 HZ3 LYS 71 -9.951 -8.488 30.089 600 H ARG 72 HN ARG 72 -8.805 -8.907 22.428 601 HA ARG 72 HA ARG 72 -7.055 -11.167 22.460 602 HB2 ARG 72 HB2 ARG 72 -8.115 -9.392 20.273 603 HB3 ARG 72 HB1 ARG 72 -6.858 -10.571 19.930 604 HG2 ARG 72 HG2 ARG 72 -8.999 -11.504 19.372 605 HG3 ARG 72 HG1 ARG 72 -8.337 -12.363 20.762 606 HD2 ARG 72 HD2 ARG 72 -9.755 -10.933 22.236 607 HD3 ARG 72 HD1 ARG 72 -10.484 -10.241 20.786 608 HE ARG 72 HE ARG 72 -10.618 -13.105 20.870 609 HH11 ARG 72 HH11 ARG 72 -12.169 -10.187 21.847 610 HH12 ARG 72 HH12 ARG 72 -13.715 -10.945 22.026 611 HH21 ARG 72 HH21 ARG 72 -12.614 -14.062 21.128 612 HH22 ARG 72 HH22 ARG 72 -13.952 -13.105 21.667 613 H ALA 73 HN ALA 73 -6.572 -7.690 21.992 614 HA ALA 73 HA ALA 73 -3.871 -7.752 21.217 615 HB1 ALA 73 HB1 ALA 73 -3.766 -5.434 22.047 616 HB2 ALA 73 HB2 ALA 73 -5.324 -5.658 22.847 617 HB3 ALA 73 HB3 ALA 73 -5.219 -5.721 21.087 618 H LYS 74 HN LYS 74 -5.341 -7.584 24.458 619 HA LYS 74 HA LYS 74 -3.040 -7.618 26.034 620 HB2 LYS 74 HB2 LYS 74 -5.332 -7.288 26.895 621 HB3 LYS 74 HB1 LYS 74 -5.700 -8.974 26.563 622 HG2 LYS 74 HG2 LYS 74 -3.933 -9.623 28.192 623 HG3 LYS 74 HG1 LYS 74 -3.728 -7.913 28.584 624 HD2 LYS 74 HD2 LYS 74 -6.109 -7.808 29.251 625 HD3 LYS 74 HD1 LYS 74 -6.262 -9.535 28.914 626 HE2 LYS 74 HE2 LYS 74 -5.958 -9.257 31.268 627 HE3 LYS 74 HE1 LYS 74 -4.480 -9.953 30.606 628 HZ1 LYS 74 HZ1 LYS 74 -4.907 -7.100 31.317 629 HZ2 LYS 74 HZ2 LYS 74 -3.497 -7.726 30.625 630 HZ3 LYS 74 HZ3 LYS 74 -3.967 -8.213 32.170 631 H LYS 75 HN LYS 75 -4.788 -10.280 24.516 632 HA LYS 75 HA LYS 75 -3.392 -12.452 25.622 633 HB2 LYS 75 HB2 LYS 75 -5.573 -12.473 24.349 634 HB3 LYS 75 HB1 LYS 75 -4.652 -12.274 22.871 635 HG2 LYS 75 HG2 LYS 75 -4.257 -14.616 24.723 636 HG3 LYS 75 HG1 LYS 75 -5.454 -14.607 23.430 637 HD2 LYS 75 HD2 LYS 75 -3.525 -14.047 21.853 638 HD3 LYS 75 HD1 LYS 75 -2.452 -14.466 23.192 639 HE2 LYS 75 HE2 LYS 75 -4.470 -16.258 21.840 640 HE3 LYS 75 HE1 LYS 75 -2.714 -16.386 21.764 641 HZ1 LYS 75 HZ1 LYS 75 -4.395 -16.772 24.179 642 HZ2 LYS 75 HZ2 LYS 75 -2.705 -16.835 24.156 643 HZ3 LYS 75 HZ3 LYS 75 -3.607 -17.983 23.304 644 H LEU 76 HN LEU 76 -2.835 -10.694 22.548 645 HA LEU 76 HA LEU 76 -0.481 -12.134 21.842 646 HB2 LEU 76 HB2 LEU 76 -1.685 -9.546 20.909 647 HB3 LEU 76 HB1 LEU 76 -0.086 -10.018 20.368 648 HG LEU 76 HG LEU 76 -1.021 -12.078 19.385 649 HD11 LEU 76 HD11 LEU 76 -2.921 -12.402 20.883 650 HD12 LEU 76 HD12 LEU 76 -3.427 -12.395 19.195 651 HD13 LEU 76 HD13 LEU 76 -3.706 -10.976 20.202 652 HD21 LEU 76 HD21 LEU 76 -2.248 -11.006 17.535 653 HD22 LEU 76 HD22 LEU 76 -0.792 -10.117 17.980 654 HD23 LEU 76 HD23 LEU 76 -2.374 -9.529 18.493 655 H LEU 77 HN LEU 77 -1.012 -9.164 23.652 656 HA LEU 77 HA LEU 77 1.576 -8.150 23.770 657 HB2 LEU 77 HB2 LEU 77 -0.892 -7.874 25.371 658 HB3 LEU 77 HB1 LEU 77 0.587 -7.438 26.204 659 HG LEU 77 HG LEU 77 1.058 -5.674 24.684 660 HD11 LEU 77 HD11 LEU 77 -1.172 -6.684 22.917 661 HD12 LEU 77 HD12 LEU 77 0.556 -6.826 22.589 662 HD13 LEU 77 HD13 LEU 77 -0.203 -5.235 22.647 663 HD21 LEU 77 HD21 LEU 77 -1.932 -5.683 25.146 664 HD22 LEU 77 HD22 LEU 77 -0.928 -4.268 24.817 665 HD23 LEU 77 HD23 LEU 77 -0.708 -5.175 26.312 666 H ARG 78 HN ARG 78 0.168 -10.815 25.570 667 HA ARG 78 HA ARG 78 1.989 -11.117 27.650 668 HB2 ARG 78 HB2 ARG 78 0.652 -13.282 26.007 669 HB3 ARG 78 HB1 ARG 78 1.465 -13.553 27.541 670 HG2 ARG 78 HG2 ARG 78 -0.962 -11.805 27.140 671 HG3 ARG 78 HG1 ARG 78 -0.975 -13.455 27.766 672 HD2 ARG 78 HD2 ARG 78 0.602 -12.617 29.585 673 HD3 ARG 78 HD1 ARG 78 0.202 -10.988 29.036 674 HE ARG 78 HE ARG 78 -2.116 -12.572 29.589 675 HH11 ARG 78 HH11 ARG 78 0.289 -10.575 31.026 676 HH12 ARG 78 HH12 ARG 78 -0.675 -10.221 32.412 677 HH21 ARG 78 HH21 ARG 78 -3.346 -12.116 31.377 678 HH22 ARG 78 HH22 ARG 78 -2.706 -11.094 32.617 679 H SER 79 HN SER 79 2.343 -11.996 24.247 680 HA SER 79 HA SER 79 4.751 -13.499 24.527 681 HB2 SER 79 HB2 SER 79 3.325 -13.745 22.546 682 HB3 SER 79 HB1 SER 79 3.638 -12.071 22.091 683 HG SER 79 HG SER 79 5.044 -14.202 21.449 684 H TRP 80 HN TRP 80 4.110 -10.113 23.652 685 HA TRP 80 HA TRP 80 6.765 -9.352 23.097 686 HB2 TRP 80 HB2 TRP 80 4.430 -7.685 24.060 687 HB3 TRP 80 HB1 TRP 80 5.933 -7.022 23.437 688 HD1 TRP 80 HD1 TRP 80 4.291 -10.037 21.735 689 HE1 TRP 80 HE1 TRP 80 3.489 -9.328 19.400 690 HE3 TRP 80 HE3 TRP 80 5.135 -5.014 22.085 691 HZ2 TRP 80 HZ2 TRP 80 3.240 -6.950 17.894 692 HZ3 TRP 80 HZ3 TRP 80 4.584 -3.583 20.161 693 HH2 TRP 80 HH2 TRP 80 3.654 -4.531 18.107 694 H GLN 81 HN GLN 81 5.131 -9.849 26.085 695 HA GLN 81 HA GLN 81 6.722 -8.353 27.854 696 HB2 GLN 81 HB2 GLN 81 5.222 -10.944 28.290 697 HB3 GLN 81 HB1 GLN 81 5.935 -9.984 29.581 698 HG2 GLN 81 HG2 GLN 81 3.827 -8.977 27.675 699 HG3 GLN 81 HG1 GLN 81 3.500 -9.616 29.285 700 HE21 GLN 81 HE21 GLN 81 4.845 -6.951 27.477 701 HE22 GLN 81 HE22 GLN 81 4.953 -5.859 28.810 702 H LYS 82 HN LYS 82 7.595 -11.010 25.952 703 HA LYS 82 HA LYS 82 9.166 -12.616 27.591 704 HB2 LYS 82 HB2 LYS 82 8.511 -13.337 25.400 705 HB3 LYS 82 HB1 LYS 82 9.327 -11.982 24.642 706 HG2 LYS 82 HG2 LYS 82 11.500 -12.952 25.405 707 HG3 LYS 82 HG1 LYS 82 10.607 -14.367 25.969 708 HD2 LYS 82 HD2 LYS 82 9.856 -14.860 23.732 709 HD3 LYS 82 HD1 LYS 82 10.527 -13.344 23.126 710 HE2 LYS 82 HE2 LYS 82 11.975 -15.201 22.531 711 HE3 LYS 82 HE1 LYS 82 12.789 -14.136 23.673 712 HZ1 LYS 82 HZ1 LYS 82 11.493 -16.730 24.310 713 HZ2 LYS 82 HZ2 LYS 82 12.199 -15.696 25.446 714 HZ3 LYS 82 HZ3 LYS 82 13.156 -16.421 24.258 715 H LEU 83 HN LEU 83 9.909 -9.412 26.489 716 HA LEU 83 HA LEU 83 12.772 -9.743 26.830 717 HB2 LEU 83 HB2 LEU 83 12.685 -7.138 26.604 718 HB3 LEU 83 HB1 LEU 83 12.480 -8.179 25.212 719 HG LEU 83 HG LEU 83 10.028 -7.854 25.344 720 HD11 LEU 83 HD11 LEU 83 9.814 -7.398 27.734 721 HD12 LEU 83 HD12 LEU 83 9.093 -6.113 26.767 722 HD13 LEU 83 HD13 LEU 83 10.668 -5.868 27.523 723 HD21 LEU 83 HD21 LEU 83 11.673 -5.327 25.207 724 HD22 LEU 83 HD22 LEU 83 10.035 -5.518 24.581 725 HD23 LEU 83 HD23 LEU 83 11.356 -6.452 23.884 726 H ILE 84 HN ILE 84 10.115 -8.634 28.844 727 HA ILE 84 HA ILE 84 12.061 -7.849 30.923 728 HB ILE 84 HB ILE 84 10.091 -6.878 32.129 729 HG12 ILE 84 HG12 ILE 84 8.654 -7.436 29.513 730 HG13 ILE 84 HG11 ILE 84 8.331 -8.237 31.047 731 HG21 ILE 84 HG21 ILE 84 9.904 -4.893 30.673 732 HG22 ILE 84 HG22 ILE 84 10.664 -5.802 29.367 733 HG23 ILE 84 HG23 ILE 84 11.568 -5.455 30.840 734 HD11 ILE 84 HD11 ILE 84 7.916 -5.317 30.440 735 HD12 ILE 84 HD12 ILE 84 7.630 -6.089 32.000 736 HD13 ILE 84 HD13 ILE 84 6.666 -6.550 30.598 737 H GLU 85 HN GLU 85 9.735 -10.287 30.133 738 HA GLU 85 HA GLU 85 10.214 -11.642 32.671 739 HB2 GLU 85 HB2 GLU 85 7.440 -10.942 31.668 740 HB3 GLU 85 HB1 GLU 85 7.762 -12.085 32.965 741 HG2 GLU 85 HG2 GLU 85 8.854 -10.237 34.236 742 HG3 GLU 85 HG1 GLU 85 8.341 -9.127 32.966 743 HA PRO 86 HA PRO 86 10.183 -15.197 29.950 744 HB2 PRO 86 HB2 PRO 86 9.625 -16.854 32.319 745 HB3 PRO 86 HB1 PRO 86 11.065 -16.811 31.298 746 HG2 PRO 86 HG2 PRO 86 11.086 -15.861 33.817 747 HG3 PRO 86 HG1 PRO 86 12.048 -15.116 32.526 748 HD2 PRO 86 HD2 PRO 86 9.404 -14.239 33.660 749 HD3 PRO 86 HD1 PRO 86 10.841 -13.265 33.271 750 H ALA 87 HN ALA 87 7.741 -13.938 29.750 751 HA ALA 87 HA ALA 87 5.561 -15.579 30.650 752 HB1 ALA 87 HB1 ALA 87 4.146 -14.034 29.384 753 HB2 ALA 87 HB2 ALA 87 5.580 -13.315 28.650 754 HB3 ALA 87 HB3 ALA 87 5.311 -13.167 30.386 755 H HIS 88 HN HIS 88 7.091 -15.032 27.478 756 HA HIS 88 HA HIS 88 7.105 -16.198 25.532 757 HB2 HIS 88 HB2 HIS 88 6.145 -18.475 27.283 758 HB3 HIS 88 HB1 HIS 88 6.609 -18.657 25.597 759 HD1 HIS 88 HD1 HIS 88 8.964 -19.320 25.240 760 HD2 HIS 88 HD2 HIS 88 8.446 -17.413 28.893 761 HE1 HIS 88 HE1 HIS 88 11.164 -19.531 26.424 762 HE2 HIS 88 HE2 HIS 88 10.836 -18.368 28.630 763 H GLN 89 HN GLN 89 4.284 -17.839 26.956 764 HA GLN 89 HA GLN 89 2.190 -18.221 26.188 765 HB2 GLN 89 HB2 GLN 89 2.440 -15.484 26.180 766 HB3 GLN 89 HB1 GLN 89 1.958 -15.793 24.519 767 HG2 GLN 89 HG2 GLN 89 0.463 -16.575 27.020 768 HG3 GLN 89 HG1 GLN 89 0.015 -15.325 25.865 769 HE21 GLN 89 HE21 GLN 89 0.135 -18.728 26.495 770 HE22 GLN 89 HE22 GLN 89 -0.871 -19.215 25.182 771 H HIS 90 HN HIS 90 3.396 -16.376 23.395 772 HA HIS 90 HA HIS 90 3.912 -18.798 21.873 773 HB2 HIS 90 HB2 HIS 90 1.882 -16.748 20.934 774 HB3 HIS 90 HB1 HIS 90 2.588 -17.982 19.901 775 HD1 HIS 90 HD1 HIS 90 -0.174 -17.356 22.164 776 HD2 HIS 90 HD2 HIS 90 1.841 -20.692 20.726 777 HE1 HIS 90 HE1 HIS 90 -1.717 -19.295 22.562 778 HE2 HIS 90 HE2 HIS 90 -0.568 -21.257 21.489 779 H GLU 91 HN GLU 91 6.073 -18.162 21.774 780 HA GLU 91 HA GLU 91 6.674 -15.615 20.426 781 HB2 GLU 91 HB2 GLU 91 8.996 -15.979 21.094 782 HB3 GLU 91 HB1 GLU 91 7.930 -16.083 22.487 783 HG2 GLU 91 HG2 GLU 91 8.081 -18.483 22.498 784 HG3 GLU 91 HG1 GLU 91 9.000 -18.471 20.993 785 H ALA 92 HN ALA 92 8.524 -15.712 18.820 786 HA ALA 92 HA ALA 92 8.124 -17.986 16.990 787 HB1 ALA 92 HB1 ALA 92 8.875 -16.529 15.205 788 HB2 ALA 92 HB2 ALA 92 9.258 -15.254 16.363 789 HB3 ALA 92 HB3 ALA 92 7.581 -15.742 16.111 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 2.812 -2.454 -0.684 2 H2 MET 1 HT2 MET 1 3.331 -2.515 -2.291 3 H3 MET 1 HT3 MET 1 2.609 -1.109 -1.690 4 HA MET 1 HA MET 1 5.021 -0.895 -1.893 5 HB2 MET 1 HB2 MET 1 3.946 -0.883 0.939 6 HB3 MET 1 HB1 MET 1 5.432 -0.093 0.431 7 HG2 MET 1 HG2 MET 1 4.156 1.364 -1.055 8 HG3 MET 1 HG1 MET 1 2.664 0.567 -0.557 9 HE1 MET 1 HE1 MET 1 3.205 3.769 -0.412 10 HE2 MET 1 HE2 MET 1 2.408 4.107 1.124 11 HE3 MET 1 HE3 MET 1 1.680 2.976 -0.016 12 H THR 2 HN THR 2 6.469 -2.489 -2.383 13 HA THR 2 HA THR 2 8.003 -4.152 -2.099 14 HB THR 2 HB THR 2 7.521 -3.834 0.886 15 HG1 THR 2 HG1 THR 2 9.598 -2.519 0.495 16 HG21 THR 2 HG21 THR 2 9.833 -4.653 1.104 17 HG22 THR 2 HG22 THR 2 9.915 -4.888 -0.642 18 HG23 THR 2 HG23 THR 2 8.798 -5.849 0.326 19 H ALA 3 HN ALA 3 8.242 -6.476 -1.380 20 HA ALA 3 HA ALA 3 5.898 -7.937 -1.885 21 HB1 ALA 3 HB1 ALA 3 8.462 -8.902 -0.614 22 HB2 ALA 3 HB2 ALA 3 8.133 -8.806 -2.344 23 HB3 ALA 3 HB3 ALA 3 7.214 -9.922 -1.335 24 H ALA 4 HN ALA 4 7.527 -7.222 1.194 25 HA ALA 4 HA ALA 4 5.034 -7.581 2.634 26 HB1 ALA 4 HB1 ALA 4 5.893 -9.248 4.196 27 HB2 ALA 4 HB2 ALA 4 7.412 -9.327 3.301 28 HB3 ALA 4 HB3 ALA 4 5.914 -9.873 2.548 29 HA PRO 5 HA PRO 5 6.620 -4.397 5.353 30 HB2 PRO 5 HB2 PRO 5 5.819 -6.210 7.599 31 HB3 PRO 5 HB1 PRO 5 5.440 -4.502 7.343 32 HG2 PRO 5 HG2 PRO 5 3.601 -6.361 6.880 33 HG3 PRO 5 HG1 PRO 5 3.766 -4.969 5.791 34 HD2 PRO 5 HD2 PRO 5 4.648 -7.802 5.396 35 HD3 PRO 5 HD1 PRO 5 3.989 -6.651 4.216 36 H ALA 6 HN ALA 6 7.329 -7.728 6.387 37 HA ALA 6 HA ALA 6 9.249 -8.826 6.871 38 HB1 ALA 6 HB1 ALA 6 10.612 -6.435 5.637 39 HB2 ALA 6 HB2 ALA 6 10.042 -7.864 4.775 40 HB3 ALA 6 HB3 ALA 6 11.351 -8.007 5.947 41 H SER 7 HN SER 7 10.324 -5.468 7.470 42 HA SER 7 HA SER 7 11.263 -6.336 10.126 43 HB2 SER 7 HB2 SER 7 13.075 -5.534 8.787 44 HB3 SER 7 HB1 SER 7 12.171 -4.101 8.300 45 HG SER 7 HG SER 7 13.777 -3.775 9.988 46 HA PRO 8 HA PRO 8 8.311 -3.885 12.445 47 HB2 PRO 8 HB2 PRO 8 10.792 -3.177 13.974 48 HB3 PRO 8 HB1 PRO 8 9.208 -3.686 14.574 49 HG2 PRO 8 HG2 PRO 8 11.218 -5.416 14.497 50 HG3 PRO 8 HG1 PRO 8 9.580 -5.925 14.043 51 HD2 PRO 8 HD2 PRO 8 11.942 -5.365 12.306 52 HD3 PRO 8 HD1 PRO 8 10.639 -6.551 12.092 53 H GLN 9 HN GLN 9 11.256 -2.488 11.118 54 HA GLN 9 HA GLN 9 10.862 0.214 11.777 55 HB2 GLN 9 HB2 GLN 9 12.098 -0.821 9.211 56 HB3 GLN 9 HB1 GLN 9 12.396 0.735 9.974 57 HG2 GLN 9 HG2 GLN 9 13.162 -1.964 11.079 58 HG3 GLN 9 HG1 GLN 9 14.251 -0.796 10.337 59 HE21 GLN 9 HE21 GLN 9 14.263 -1.969 13.024 60 HE22 GLN 9 HE22 GLN 9 14.245 -0.628 14.112 61 H GLN 10 HN GLN 10 9.603 -1.692 9.057 62 HA GLN 10 HA GLN 10 8.228 0.439 7.768 63 HB2 GLN 10 HB2 GLN 10 7.974 -2.558 7.658 64 HB3 GLN 10 HB1 GLN 10 6.802 -1.536 6.839 65 HG2 GLN 10 HG2 GLN 10 8.489 -2.231 5.277 66 HG3 GLN 10 HG1 GLN 10 8.627 -0.497 5.556 67 HE21 GLN 10 HE21 GLN 10 9.794 -3.022 7.721 68 HE22 GLN 10 HE22 GLN 10 11.470 -2.644 7.522 69 H ILE 11 HN ILE 11 7.368 -1.730 10.393 70 HA ILE 11 HA ILE 11 4.622 -1.144 10.582 71 HB ILE 11 HB ILE 11 6.612 -1.934 12.722 72 HG12 ILE 11 HG12 ILE 11 4.528 -3.545 11.214 73 HG13 ILE 11 HG11 ILE 11 6.263 -3.587 10.919 74 HG21 ILE 11 HG21 ILE 11 4.715 -0.792 13.761 75 HG22 ILE 11 HG22 ILE 11 4.709 -2.514 14.139 76 HG23 ILE 11 HG23 ILE 11 3.600 -1.874 12.927 77 HD11 ILE 11 HD11 ILE 11 6.608 -4.481 13.175 78 HD12 ILE 11 HD12 ILE 11 5.564 -5.512 12.198 79 HD13 ILE 11 HD13 ILE 11 4.864 -4.469 13.435 80 H ARG 12 HN ARG 12 7.426 0.375 12.190 81 HA ARG 12 HA ARG 12 6.002 2.385 13.557 82 HB2 ARG 12 HB2 ARG 12 8.288 1.885 14.144 83 HB3 ARG 12 HB1 ARG 12 8.849 2.320 12.535 84 HG2 ARG 12 HG2 ARG 12 8.354 4.645 12.925 85 HG3 ARG 12 HG1 ARG 12 7.590 4.263 14.471 86 HD2 ARG 12 HD2 ARG 12 9.673 3.621 15.438 87 HD3 ARG 12 HD1 ARG 12 10.484 3.650 13.873 88 HE ARG 12 HE ARG 12 9.864 6.164 13.998 89 HH11 ARG 12 HH11 ARG 12 10.728 4.225 16.714 90 HH12 ARG 12 HH12 ARG 12 11.563 5.511 17.508 91 HH21 ARG 12 HH21 ARG 12 10.914 7.817 15.051 92 HH22 ARG 12 HH22 ARG 12 11.652 7.520 16.584 93 H ASP 13 HN ASP 13 7.412 2.347 10.285 94 HA ASP 13 HA ASP 13 6.786 4.969 9.516 95 HB2 ASP 13 HB2 ASP 13 8.197 3.618 8.113 96 HB3 ASP 13 HB1 ASP 13 6.935 2.409 7.909 97 H ARG 14 HN ARG 14 4.864 2.003 9.238 98 HA ARG 14 HA ARG 14 2.695 3.242 7.875 99 HB2 ARG 14 HB2 ARG 14 3.464 0.760 7.912 100 HB3 ARG 14 HB1 ARG 14 2.486 0.636 9.363 101 HG2 ARG 14 HG2 ARG 14 1.339 -0.106 7.286 102 HG3 ARG 14 HG1 ARG 14 0.492 1.172 8.158 103 HD2 ARG 14 HD2 ARG 14 0.787 1.285 5.545 104 HD3 ARG 14 HD1 ARG 14 0.891 2.739 6.530 105 HE ARG 14 HE ARG 14 3.404 2.330 6.405 106 HH11 ARG 14 HH11 ARG 14 1.280 1.272 3.907 107 HH12 ARG 14 HH12 ARG 14 2.438 1.577 2.662 108 HH21 ARG 14 HH21 ARG 14 4.869 2.723 4.810 109 HH22 ARG 14 HH22 ARG 14 4.447 2.381 3.164 110 H LEU 15 HN LEU 15 3.349 2.576 11.263 111 HA LEU 15 HA LEU 15 0.746 3.074 12.265 112 HB2 LEU 15 HB2 LEU 15 2.500 1.928 13.543 113 HB3 LEU 15 HB1 LEU 15 3.436 3.410 13.606 114 HG LEU 15 HG LEU 15 1.563 4.460 14.908 115 HD11 LEU 15 HD11 LEU 15 -0.107 3.006 15.937 116 HD12 LEU 15 HD12 LEU 15 0.508 1.631 15.017 117 HD13 LEU 15 HD13 LEU 15 -0.244 2.990 14.180 118 HD21 LEU 15 HD21 LEU 15 2.125 3.356 17.016 119 HD22 LEU 15 HD22 LEU 15 3.559 3.585 16.017 120 HD23 LEU 15 HD23 LEU 15 2.809 1.994 16.130 121 H LEU 16 HN LEU 16 3.585 5.208 11.947 122 HA LEU 16 HA LEU 16 2.370 7.426 13.242 123 HB2 LEU 16 HB2 LEU 16 4.872 7.047 11.647 124 HB3 LEU 16 HB1 LEU 16 4.336 8.674 12.016 125 HG LEU 16 HG LEU 16 4.448 8.203 14.414 126 HD11 LEU 16 HD11 LEU 16 5.498 5.481 13.645 127 HD12 LEU 16 HD12 LEU 16 3.924 5.810 14.367 128 HD13 LEU 16 HD13 LEU 16 5.398 6.141 15.277 129 HD21 LEU 16 HD21 LEU 16 6.875 8.024 14.627 130 HD22 LEU 16 HD22 LEU 16 6.425 9.094 13.300 131 HD23 LEU 16 HD23 LEU 16 6.987 7.457 12.960 132 H GLN 17 HN GLN 17 2.468 6.459 9.859 133 HA GLN 17 HA GLN 17 1.431 8.969 8.900 134 HB2 GLN 17 HB2 GLN 17 1.223 7.847 6.739 135 HB3 GLN 17 HB1 GLN 17 2.795 7.534 7.456 136 HG2 GLN 17 HG2 GLN 17 2.252 5.454 6.667 137 HG3 GLN 17 HG1 GLN 17 1.657 5.344 8.321 138 HE21 GLN 17 HE21 GLN 17 0.114 3.799 7.893 139 HE22 GLN 17 HE22 GLN 17 -1.276 4.092 6.914 140 H ALA 18 HN ALA 18 0.023 6.357 10.519 141 HA ALA 18 HA ALA 18 -2.636 6.744 9.329 142 HB1 ALA 18 HB1 ALA 18 -1.829 4.444 9.583 143 HB2 ALA 18 HB2 ALA 18 -3.279 4.732 10.544 144 HB3 ALA 18 HB3 ALA 18 -1.698 4.682 11.327 145 H ILE 19 HN ILE 19 -0.850 7.419 12.251 146 HA ILE 19 HA ILE 19 -3.234 8.715 13.403 147 HB ILE 19 HB ILE 19 -2.690 7.917 15.647 148 HG12 ILE 19 HG12 ILE 19 -0.561 6.207 14.323 149 HG13 ILE 19 HG11 ILE 19 -0.245 7.626 15.316 150 HG21 ILE 19 HG21 ILE 19 -3.359 5.578 15.402 151 HG22 ILE 19 HG22 ILE 19 -2.952 5.635 13.688 152 HG23 ILE 19 HG23 ILE 19 -4.273 6.621 14.313 153 HD11 ILE 19 HD11 ILE 19 0.103 5.587 16.571 154 HD12 ILE 19 HD12 ILE 19 -1.553 5.079 16.242 155 HD13 ILE 19 HD13 ILE 19 -1.248 6.501 17.237 156 H ASP 20 HN ASP 20 -2.813 10.490 14.798 157 HA ASP 20 HA ASP 20 -0.348 11.909 14.405 158 HB2 ASP 20 HB2 ASP 20 -2.656 12.407 16.309 159 HB3 ASP 20 HB1 ASP 20 -1.299 13.506 16.098 160 HA PRO 21 HA PRO 21 2.216 10.254 17.700 161 HB2 PRO 21 HB2 PRO 21 2.846 13.137 18.208 162 HB3 PRO 21 HB1 PRO 21 3.945 11.767 17.997 163 HG2 PRO 21 HG2 PRO 21 3.586 13.514 16.024 164 HG3 PRO 21 HG1 PRO 21 3.723 11.779 15.677 165 HD2 PRO 21 HD2 PRO 21 1.291 13.521 15.708 166 HD3 PRO 21 HD1 PRO 21 1.689 12.158 14.643 167 H GLN 22 HN GLN 22 -0.211 12.670 18.204 168 HA GLN 22 HA GLN 22 -0.165 12.488 21.104 169 HB2 GLN 22 HB2 GLN 22 -2.173 13.851 19.295 170 HB3 GLN 22 HB1 GLN 22 -2.002 14.086 21.028 171 HG2 GLN 22 HG2 GLN 22 0.231 14.705 19.118 172 HG3 GLN 22 HG1 GLN 22 -1.049 15.863 19.454 173 HE21 GLN 22 HE21 GLN 22 0.285 13.691 21.892 174 HE22 GLN 22 HE22 GLN 22 1.056 14.925 22.807 175 H SER 23 HN SER 23 -0.898 10.155 19.199 176 HA SER 23 HA SER 23 -2.214 8.309 19.296 177 HB2 SER 23 HB2 SER 23 -3.002 9.542 21.939 178 HB3 SER 23 HB1 SER 23 -3.664 8.004 21.385 179 HG SER 23 HG SER 23 -1.674 7.100 21.462 180 H ASN 24 HN ASN 24 -3.169 10.327 17.649 181 HA ASN 24 HA ASN 24 -6.101 10.193 18.035 182 HB2 ASN 24 HB2 ASN 24 -4.463 11.994 16.226 183 HB3 ASN 24 HB1 ASN 24 -6.220 11.979 16.305 184 HD21 ASN 24 HD21 ASN 24 -3.300 12.829 17.964 185 HD22 ASN 24 HD22 ASN 24 -4.035 13.826 19.164 186 H ILE 25 HN ILE 25 -7.293 8.917 16.736 187 HA ILE 25 HA ILE 25 -5.974 7.343 14.679 188 HB ILE 25 HB ILE 25 -8.852 7.264 15.632 189 HG12 ILE 25 HG12 ILE 25 -7.192 6.693 17.404 190 HG13 ILE 25 HG11 ILE 25 -8.217 5.331 16.967 191 HG21 ILE 25 HG21 ILE 25 -7.309 5.284 13.941 192 HG22 ILE 25 HG22 ILE 25 -8.596 6.350 13.379 193 HG23 ILE 25 HG23 ILE 25 -8.957 5.069 14.537 194 HD11 ILE 25 HD11 ILE 25 -5.386 5.781 16.052 195 HD12 ILE 25 HD12 ILE 25 -6.410 4.419 15.597 196 HD13 ILE 25 HD13 ILE 25 -5.921 4.633 17.279 197 H ARG 26 HN ARG 26 -5.719 8.425 12.723 198 HA ARG 26 HA ARG 26 -7.855 10.198 11.774 199 HB2 ARG 26 HB2 ARG 26 -5.080 9.601 10.758 200 HB3 ARG 26 HB1 ARG 26 -6.221 10.588 9.857 201 HG2 ARG 26 HG2 ARG 26 -6.321 12.132 11.825 202 HG3 ARG 26 HG1 ARG 26 -5.013 11.186 12.554 203 HD2 ARG 26 HD2 ARG 26 -3.562 11.671 10.679 204 HD3 ARG 26 HD1 ARG 26 -4.871 12.497 9.833 205 HE ARG 26 HE ARG 26 -4.034 13.564 12.414 206 HH11 ARG 26 HH11 ARG 26 -4.014 13.811 8.978 207 HH12 ARG 26 HH12 ARG 26 -3.450 15.444 8.988 208 HH21 ARG 26 HH21 ARG 26 -3.302 15.656 12.413 209 HH22 ARG 26 HH22 ARG 26 -3.062 16.479 10.912 210 H ASN 27 HN ASN 27 -6.221 7.210 10.754 211 HA ASN 27 HA ASN 27 -8.172 6.945 8.545 212 HB2 ASN 27 HB2 ASN 27 -5.870 7.735 7.847 213 HB3 ASN 27 HB1 ASN 27 -5.248 6.182 8.380 214 HD21 ASN 27 HD21 ASN 27 -5.147 7.287 5.746 215 HD22 ASN 27 HD22 ASN 27 -6.011 6.206 4.714 216 H MET 28 HN MET 28 -9.401 5.205 8.961 217 HA MET 28 HA MET 28 -8.688 3.170 10.784 218 HB2 MET 28 HB2 MET 28 -11.026 3.786 10.281 219 HB3 MET 28 HB1 MET 28 -10.853 3.108 8.667 220 HG2 MET 28 HG2 MET 28 -12.007 1.553 10.123 221 HG3 MET 28 HG1 MET 28 -10.444 0.899 9.638 222 HE1 MET 28 HE1 MET 28 -12.493 2.582 12.542 223 HE2 MET 28 HE2 MET 28 -11.126 3.683 12.358 224 HE3 MET 28 HE3 MET 28 -11.277 2.696 13.814 225 H VAL 29 HN VAL 29 -8.917 3.055 7.197 226 HA VAL 29 HA VAL 29 -8.107 0.358 6.994 227 HB VAL 29 HB VAL 29 -9.279 1.518 5.167 228 HG11 VAL 29 HG11 VAL 29 -8.188 3.688 5.250 229 HG12 VAL 29 HG12 VAL 29 -8.065 3.001 3.632 230 HG13 VAL 29 HG13 VAL 29 -6.670 2.970 4.709 231 HG21 VAL 29 HG21 VAL 29 -8.038 0.534 3.309 232 HG22 VAL 29 HG22 VAL 29 -8.040 -0.544 4.705 233 HG23 VAL 29 HG23 VAL 29 -6.601 0.401 4.322 234 H ALA 30 HN ALA 30 -6.210 3.362 6.975 235 HA ALA 30 HA ALA 30 -3.702 2.176 6.374 236 HB1 ALA 30 HB1 ALA 30 -2.705 4.218 7.263 237 HB2 ALA 30 HB2 ALA 30 -4.252 4.683 7.972 238 HB3 ALA 30 HB3 ALA 30 -4.076 4.591 6.218 239 H VAL 31 HN VAL 31 -5.347 2.826 9.458 240 HA VAL 31 HA VAL 31 -3.385 1.773 11.180 241 HB VAL 31 HB VAL 31 -6.379 2.063 11.438 242 HG11 VAL 31 HG11 VAL 31 -5.828 0.092 12.744 243 HG12 VAL 31 HG12 VAL 31 -6.171 1.448 13.818 244 HG13 VAL 31 HG13 VAL 31 -4.504 0.951 13.530 245 HG21 VAL 31 HG21 VAL 31 -5.766 3.741 13.117 246 HG22 VAL 31 HG22 VAL 31 -5.026 4.094 11.555 247 HG23 VAL 31 HG23 VAL 31 -4.058 3.383 12.848 248 H LEU 32 HN LEU 32 -6.169 0.184 9.616 249 HA LEU 32 HA LEU 32 -5.810 -2.391 10.607 250 HB2 LEU 32 HB2 LEU 32 -6.785 -1.552 7.870 251 HB3 LEU 32 HB1 LEU 32 -6.990 -3.152 8.559 252 HG LEU 32 HG LEU 32 -8.175 -0.611 9.691 253 HD11 LEU 32 HD11 LEU 32 -10.313 -1.473 8.910 254 HD12 LEU 32 HD12 LEU 32 -9.501 -2.855 8.175 255 HD13 LEU 32 HD13 LEU 32 -9.201 -1.227 7.566 256 HD21 LEU 32 HD21 LEU 32 -8.571 -3.494 10.501 257 HD22 LEU 32 HD22 LEU 32 -9.451 -2.110 11.149 258 HD23 LEU 32 HD23 LEU 32 -7.717 -2.257 11.427 259 H GLU 33 HN GLU 33 -4.116 -0.744 7.993 260 HA GLU 33 HA GLU 33 -2.723 -2.960 6.946 261 HB2 GLU 33 HB2 GLU 33 -2.203 -0.001 6.952 262 HB3 GLU 33 HB1 GLU 33 -1.024 -1.112 6.268 263 HG2 GLU 33 HG2 GLU 33 -3.908 -0.947 5.408 264 HG3 GLU 33 HG1 GLU 33 -2.568 -0.130 4.599 265 H VAL 34 HN VAL 34 -1.719 -0.621 9.485 266 HA VAL 34 HA VAL 34 0.787 -1.908 9.905 267 HB VAL 34 HB VAL 34 0.498 0.420 10.562 268 HG11 VAL 34 HG11 VAL 34 -1.804 0.393 11.326 269 HG12 VAL 34 HG12 VAL 34 -0.746 1.058 12.571 270 HG13 VAL 34 HG13 VAL 34 -1.351 -0.594 12.719 271 HG21 VAL 34 HG21 VAL 34 1.126 -1.354 12.925 272 HG22 VAL 34 HG22 VAL 34 1.599 0.337 12.748 273 HG23 VAL 34 HG23 VAL 34 2.250 -0.880 11.650 274 H ILE 35 HN ILE 35 -2.368 -2.210 11.550 275 HA ILE 35 HA ILE 35 -1.617 -4.148 13.447 276 HB ILE 35 HB ILE 35 -4.247 -3.561 12.093 277 HG12 ILE 35 HG12 ILE 35 -4.942 -3.012 14.425 278 HG13 ILE 35 HG11 ILE 35 -3.324 -3.401 14.982 279 HG21 ILE 35 HG21 ILE 35 -4.264 -5.972 12.370 280 HG22 ILE 35 HG22 ILE 35 -5.352 -5.227 13.541 281 HG23 ILE 35 HG23 ILE 35 -3.769 -5.812 14.054 282 HD11 ILE 35 HD11 ILE 35 -2.428 -1.571 13.663 283 HD12 ILE 35 HD12 ILE 35 -3.651 -1.021 14.806 284 HD13 ILE 35 HD13 ILE 35 -4.052 -1.187 13.097 285 H SER 36 HN SER 36 -2.738 -4.540 10.093 286 HA SER 36 HA SER 36 -2.671 -7.330 9.900 287 HB2 SER 36 HB2 SER 36 -3.652 -5.983 8.136 288 HB3 SER 36 HB1 SER 36 -2.101 -5.220 7.797 289 HG SER 36 HG SER 36 -2.405 -6.809 6.286 290 H SER 37 HN SER 37 -0.083 -4.961 9.643 291 HA SER 37 HA SER 37 1.980 -6.699 8.802 292 HB2 SER 37 HB2 SER 37 2.184 -4.187 10.493 293 HB3 SER 37 HB1 SER 37 3.533 -4.984 9.683 294 HG SER 37 HG SER 37 1.239 -4.056 8.291 295 H LEU 38 HN LEU 38 0.974 -5.689 12.075 296 HA LEU 38 HA LEU 38 2.855 -7.202 13.520 297 HB2 LEU 38 HB2 LEU 38 0.168 -6.054 14.199 298 HB3 LEU 38 HB1 LEU 38 0.972 -7.109 15.342 299 HG LEU 38 HG LEU 38 2.888 -5.562 15.433 300 HD11 LEU 38 HD11 LEU 38 1.232 -3.795 13.636 301 HD12 LEU 38 HD12 LEU 38 2.739 -4.604 13.201 302 HD13 LEU 38 HD13 LEU 38 2.739 -3.346 14.435 303 HD21 LEU 38 HD21 LEU 38 1.120 -5.326 17.070 304 HD22 LEU 38 HD22 LEU 38 0.205 -4.290 15.974 305 HD23 LEU 38 HD23 LEU 38 1.745 -3.736 16.630 306 H GLU 39 HN GLU 39 -0.291 -8.125 12.188 307 HA GLU 39 HA GLU 39 -0.635 -10.496 13.668 308 HB2 GLU 39 HB2 GLU 39 -1.684 -9.757 10.928 309 HB3 GLU 39 HB1 GLU 39 -2.207 -11.168 11.839 310 HG2 GLU 39 HG2 GLU 39 -2.948 -9.629 13.661 311 HG3 GLU 39 HG1 GLU 39 -2.566 -8.273 12.602 312 H LYS 40 HN LYS 40 0.960 -9.978 10.518 313 HA LYS 40 HA LYS 40 1.712 -12.824 10.449 314 HB2 LYS 40 HB2 LYS 40 2.053 -10.665 8.357 315 HB3 LYS 40 HB1 LYS 40 2.460 -12.364 8.146 316 HG2 LYS 40 HG2 LYS 40 0.113 -12.973 8.453 317 HG3 LYS 40 HG1 LYS 40 -0.301 -11.270 8.675 318 HD2 LYS 40 HD2 LYS 40 0.549 -10.804 6.398 319 HD3 LYS 40 HD1 LYS 40 0.870 -12.526 6.186 320 HE2 LYS 40 HE2 LYS 40 -1.521 -13.002 6.481 321 HE3 LYS 40 HE1 LYS 40 -1.837 -11.279 6.693 322 HZ1 LYS 40 HZ1 LYS 40 -0.964 -10.918 4.445 323 HZ2 LYS 40 HZ2 LYS 40 -2.318 -11.926 4.446 324 HZ3 LYS 40 HZ3 LYS 40 -0.776 -12.587 4.246 325 H TYR 41 HN TYR 41 3.064 -9.727 11.128 326 HA TYR 41 HA TYR 41 5.714 -10.944 11.522 327 HB2 TYR 41 HB2 TYR 41 5.181 -8.303 10.132 328 HB3 TYR 41 HB1 TYR 41 6.767 -8.805 10.705 329 HD1 TYR 41 HD1 TYR 41 7.977 -10.626 9.589 330 HD2 TYR 41 HD2 TYR 41 4.210 -9.270 8.125 331 HE1 TYR 41 HE1 TYR 41 8.400 -11.765 7.454 332 HE2 TYR 41 HE2 TYR 41 4.629 -10.412 5.986 333 HH TYR 41 HH TYR 41 6.498 -11.237 4.665 334 HA PRO 42 HA PRO 42 4.253 -8.788 15.381 335 HB2 PRO 42 HB2 PRO 42 6.046 -10.874 16.521 336 HB3 PRO 42 HB1 PRO 42 4.416 -10.404 17.013 337 HG2 PRO 42 HG2 PRO 42 4.833 -12.690 15.711 338 HG3 PRO 42 HG1 PRO 42 3.406 -11.694 15.357 339 HD2 PRO 42 HD2 PRO 42 5.966 -11.952 13.810 340 HD3 PRO 42 HD1 PRO 42 4.294 -11.869 13.213 341 H ILE 43 HN ILE 43 5.344 -7.162 16.379 342 HA ILE 43 HA ILE 43 7.806 -6.232 15.476 343 HB ILE 43 HB ILE 43 6.558 -5.650 18.174 344 HG12 ILE 43 HG12 ILE 43 6.148 -4.235 15.521 345 HG13 ILE 43 HG11 ILE 43 4.981 -5.311 16.283 346 HG21 ILE 43 HG21 ILE 43 7.748 -3.503 18.009 347 HG22 ILE 43 HG22 ILE 43 8.496 -4.038 16.504 348 HG23 ILE 43 HG23 ILE 43 8.862 -4.869 18.018 349 HD11 ILE 43 HD11 ILE 43 4.801 -3.762 18.169 350 HD12 ILE 43 HD12 ILE 43 4.387 -2.993 16.639 351 HD13 ILE 43 HD13 ILE 43 5.954 -2.683 17.385 352 H THR 44 HN THR 44 9.912 -6.489 16.126 353 HA THR 44 HA THR 44 10.598 -8.880 17.518 354 HB THR 44 HB THR 44 12.413 -6.567 16.769 355 HG1 THR 44 HG1 THR 44 12.566 -8.521 14.982 356 HG21 THR 44 HG21 THR 44 13.472 -8.229 18.230 357 HG22 THR 44 HG22 THR 44 14.161 -8.263 16.606 358 HG23 THR 44 HG23 THR 44 13.015 -9.507 17.103 359 H LYS 45 HN LYS 45 11.968 -8.998 19.491 360 HA LYS 45 HA LYS 45 10.758 -7.403 21.538 361 HB2 LYS 45 HB2 LYS 45 12.739 -9.659 21.549 362 HB3 LYS 45 HB1 LYS 45 12.467 -8.732 23.017 363 HG2 LYS 45 HG2 LYS 45 11.082 -10.666 23.108 364 HG3 LYS 45 HG1 LYS 45 10.041 -9.271 22.842 365 HD2 LYS 45 HD2 LYS 45 9.148 -10.758 21.332 366 HD3 LYS 45 HD1 LYS 45 10.322 -9.936 20.305 367 HE2 LYS 45 HE2 LYS 45 10.812 -12.551 21.741 368 HE3 LYS 45 HE1 LYS 45 10.329 -12.409 20.054 369 HZ1 LYS 45 HZ1 LYS 45 12.375 -11.228 19.594 370 HZ2 LYS 45 HZ2 LYS 45 12.712 -12.728 20.290 371 HZ3 LYS 45 HZ3 LYS 45 12.836 -11.324 21.218 372 H GLU 46 HN GLU 46 14.141 -7.673 20.383 373 HA GLU 46 HA GLU 46 15.102 -5.553 22.004 374 HB2 GLU 46 HB2 GLU 46 16.134 -6.779 19.447 375 HB3 GLU 46 HB1 GLU 46 16.967 -5.453 20.242 376 HG2 GLU 46 HG2 GLU 46 18.050 -7.438 20.916 377 HG3 GLU 46 HG1 GLU 46 17.106 -6.889 22.298 378 H ALA 47 HN ALA 47 13.611 -5.629 18.821 379 HA ALA 47 HA ALA 47 14.117 -2.922 18.124 380 HB1 ALA 47 HB1 ALA 47 12.478 -3.257 16.353 381 HB2 ALA 47 HB2 ALA 47 11.945 -4.759 17.109 382 HB3 ALA 47 HB3 ALA 47 13.579 -4.634 16.454 383 H LEU 48 HN LEU 48 11.524 -4.504 19.921 384 HA LEU 48 HA LEU 48 9.579 -2.491 19.835 385 HB2 LEU 48 HB2 LEU 48 9.249 -4.803 20.707 386 HB3 LEU 48 HB1 LEU 48 10.190 -4.377 22.124 387 HG LEU 48 HG LEU 48 8.442 -2.594 22.604 388 HD11 LEU 48 HD11 LEU 48 6.245 -2.886 21.584 389 HD12 LEU 48 HD12 LEU 48 6.894 -4.139 20.524 390 HD13 LEU 48 HD13 LEU 48 7.461 -2.475 20.374 391 HD21 LEU 48 HD21 LEU 48 6.880 -4.185 23.608 392 HD22 LEU 48 HD22 LEU 48 8.550 -4.696 23.847 393 HD23 LEU 48 HD23 LEU 48 7.555 -5.482 22.620 394 H GLU 49 HN GLU 49 12.167 -3.038 22.213 395 HA GLU 49 HA GLU 49 11.759 -0.580 23.606 396 HB2 GLU 49 HB2 GLU 49 14.031 -2.566 23.557 397 HB3 GLU 49 HB1 GLU 49 14.075 -1.107 24.539 398 HG2 GLU 49 HG2 GLU 49 12.001 -3.290 24.733 399 HG3 GLU 49 HG1 GLU 49 13.365 -3.062 25.829 400 H GLU 50 HN GLU 50 14.039 -1.597 21.073 401 HA GLU 50 HA GLU 50 15.725 0.633 21.124 402 HB2 GLU 50 HB2 GLU 50 16.238 -1.496 19.981 403 HB3 GLU 50 HB1 GLU 50 15.033 -1.126 18.757 404 HG2 GLU 50 HG2 GLU 50 17.213 -0.653 17.884 405 HG3 GLU 50 HG1 GLU 50 16.350 0.869 18.113 406 H THR 51 HN THR 51 12.999 0.026 18.874 407 HA THR 51 HA THR 51 13.111 2.837 18.028 408 HB THR 51 HB THR 51 11.502 2.145 16.245 409 HG1 THR 51 HG1 THR 51 11.065 -0.050 15.982 410 HG21 THR 51 HG21 THR 51 14.061 0.537 16.386 411 HG22 THR 51 HG22 THR 51 13.900 2.185 15.777 412 HG23 THR 51 HG23 THR 51 13.127 0.849 14.922 413 H ARG 52 HN ARG 52 11.690 1.263 20.448 414 HA ARG 52 HA ARG 52 10.090 1.806 21.936 415 HB2 ARG 52 HB2 ARG 52 10.229 4.444 20.474 416 HB3 ARG 52 HB1 ARG 52 9.379 4.199 22.001 417 HG2 ARG 52 HG2 ARG 52 11.485 3.492 23.050 418 HG3 ARG 52 HG1 ARG 52 12.329 3.778 21.528 419 HD2 ARG 52 HD2 ARG 52 11.791 6.142 21.636 420 HD3 ARG 52 HD1 ARG 52 10.844 5.883 23.104 421 HE ARG 52 HE ARG 52 13.365 4.920 23.652 422 HH11 ARG 52 HH11 ARG 52 11.972 7.951 22.806 423 HH12 ARG 52 HH12 ARG 52 13.224 8.858 23.577 424 HH21 ARG 52 HH21 ARG 52 14.958 6.097 24.636 425 HH22 ARG 52 HH22 ARG 52 14.904 7.822 24.574 426 H LEU 53 HN LEU 53 9.135 0.462 19.582 427 HA LEU 53 HA LEU 53 6.545 1.456 18.922 428 HB2 LEU 53 HB2 LEU 53 7.952 -1.158 18.599 429 HB3 LEU 53 HB1 LEU 53 6.207 -1.143 18.436 430 HG LEU 53 HG LEU 53 7.342 -0.975 16.259 431 HD11 LEU 53 HD11 LEU 53 5.128 0.007 16.517 432 HD12 LEU 53 HD12 LEU 53 6.104 0.945 15.388 433 HD13 LEU 53 HD13 LEU 53 5.849 1.533 17.031 434 HD21 LEU 53 HD21 LEU 53 9.355 0.216 17.003 435 HD22 LEU 53 HD22 LEU 53 8.393 1.671 17.272 436 HD23 LEU 53 HD23 LEU 53 8.581 1.024 15.640 437 H GLY 54 HN GLY 54 7.725 0.294 21.821 438 HA2 GLY 54 HA2 GLY 54 5.605 -1.154 22.927 439 HA3 GLY 54 HA1 GLY 54 6.701 -0.127 23.838 440 H LYS 55 HN LYS 55 5.929 2.297 22.378 441 HA LYS 55 HA LYS 55 3.843 3.279 23.952 442 HB2 LYS 55 HB2 LYS 55 5.520 4.658 22.718 443 HB3 LYS 55 HB1 LYS 55 4.689 4.277 21.218 444 HG2 LYS 55 HG2 LYS 55 4.049 6.478 21.963 445 HG3 LYS 55 HG1 LYS 55 2.662 5.393 22.080 446 HD2 LYS 55 HD2 LYS 55 2.791 6.804 24.058 447 HD3 LYS 55 HD1 LYS 55 3.095 5.123 24.495 448 HE2 LYS 55 HE2 LYS 55 5.540 5.606 24.414 449 HE3 LYS 55 HE1 LYS 55 5.156 7.303 24.131 450 HZ1 LYS 55 HZ1 LYS 55 5.619 6.884 26.453 451 HZ2 LYS 55 HZ2 LYS 55 4.394 5.722 26.524 452 HZ3 LYS 55 HZ3 LYS 55 4.001 7.346 26.262 453 H LEU 56 HN LEU 56 3.764 1.652 20.835 454 HA LEU 56 HA LEU 56 1.179 2.236 19.965 455 HB2 LEU 56 HB2 LEU 56 2.959 1.039 18.683 456 HB3 LEU 56 HB1 LEU 56 2.672 -0.384 19.659 457 HG LEU 56 HG LEU 56 0.477 0.815 17.961 458 HD11 LEU 56 HD11 LEU 56 2.371 0.389 16.479 459 HD12 LEU 56 HD12 LEU 56 1.084 -0.783 16.202 460 HD13 LEU 56 HD13 LEU 56 2.518 -1.248 17.118 461 HD21 LEU 56 HD21 LEU 56 0.962 -1.985 19.006 462 HD22 LEU 56 HD22 LEU 56 -0.399 -1.480 18.003 463 HD23 LEU 56 HD23 LEU 56 -0.219 -0.835 19.633 464 H ILE 57 HN ILE 57 2.289 -0.106 22.363 465 HA ILE 57 HA ILE 57 -0.042 -1.635 22.667 466 HB ILE 57 HB ILE 57 2.047 -0.910 24.736 467 HG12 ILE 57 HG12 ILE 57 1.740 -3.364 22.976 468 HG13 ILE 57 HG11 ILE 57 2.935 -2.089 22.760 469 HG21 ILE 57 HG21 ILE 57 0.005 -1.653 25.843 470 HG22 ILE 57 HG22 ILE 57 1.264 -2.879 25.988 471 HG23 ILE 57 HG23 ILE 57 -0.043 -3.093 24.824 472 HD11 ILE 57 HD11 ILE 57 3.906 -4.059 23.794 473 HD12 ILE 57 HD12 ILE 57 2.749 -3.950 25.121 474 HD13 ILE 57 HD13 ILE 57 3.955 -2.683 24.896 475 H ASN 58 HN ASN 58 0.866 1.458 24.101 476 HA ASN 58 HA ASN 58 -1.217 1.684 25.977 477 HB2 ASN 58 HB2 ASN 58 0.732 3.120 26.077 478 HB3 ASN 58 HB1 ASN 58 0.354 3.809 24.502 479 HD21 ASN 58 HD21 ASN 58 -1.304 5.318 24.337 480 HD22 ASN 58 HD22 ASN 58 -1.962 6.108 25.722 481 H ASP 59 HN ASP 59 -1.010 2.856 22.609 482 HA ASP 59 HA ASP 59 -3.567 4.121 22.659 483 HB2 ASP 59 HB2 ASP 59 -1.691 4.758 21.129 484 HB3 ASP 59 HB1 ASP 59 -1.952 3.259 20.244 485 H VAL 60 HN VAL 60 -2.428 0.988 21.367 486 HA VAL 60 HA VAL 60 -4.833 0.326 20.048 487 HB VAL 60 HB VAL 60 -2.670 -0.767 19.542 488 HG11 VAL 60 HG11 VAL 60 -1.834 -1.077 21.811 489 HG12 VAL 60 HG12 VAL 60 -1.856 -2.609 20.937 490 HG13 VAL 60 HG13 VAL 60 -3.104 -2.258 22.134 491 HG21 VAL 60 HG21 VAL 60 -4.899 -2.671 20.286 492 HG22 VAL 60 HG22 VAL 60 -3.566 -3.033 19.190 493 HG23 VAL 60 HG23 VAL 60 -4.742 -1.788 18.767 494 H ARG 61 HN ARG 61 -3.766 -0.300 23.369 495 HA ARG 61 HA ARG 61 -5.873 -2.114 24.001 496 HB2 ARG 61 HB2 ARG 61 -3.655 -1.784 25.243 497 HB3 ARG 61 HB1 ARG 61 -4.396 -0.382 25.993 498 HG2 ARG 61 HG2 ARG 61 -5.975 -2.863 26.201 499 HG3 ARG 61 HG1 ARG 61 -4.419 -2.907 27.021 500 HD2 ARG 61 HD2 ARG 61 -5.970 -2.167 28.639 501 HD3 ARG 61 HD1 ARG 61 -5.090 -0.727 28.138 502 HE ARG 61 HE ARG 61 -7.026 -0.003 26.968 503 HH11 ARG 61 HH11 ARG 61 -7.542 -2.852 28.830 504 HH12 ARG 61 HH12 ARG 61 -9.258 -2.667 28.832 505 HH21 ARG 61 HH21 ARG 61 -9.239 0.235 27.006 506 HH22 ARG 61 HH22 ARG 61 -10.208 -0.950 27.810 507 H LYS 62 HN LYS 62 -5.501 1.396 24.371 508 HA LYS 62 HA LYS 62 -7.996 1.595 25.864 509 HB2 LYS 62 HB2 LYS 62 -6.035 3.750 25.039 510 HB3 LYS 62 HB1 LYS 62 -7.365 3.944 26.177 511 HG2 LYS 62 HG2 LYS 62 -6.331 2.428 27.736 512 HG3 LYS 62 HG1 LYS 62 -5.065 2.032 26.574 513 HD2 LYS 62 HD2 LYS 62 -4.295 4.387 26.657 514 HD3 LYS 62 HD1 LYS 62 -5.527 4.724 27.875 515 HE2 LYS 62 HE2 LYS 62 -4.498 3.083 29.377 516 HE3 LYS 62 HE1 LYS 62 -3.276 2.727 28.159 517 HZ1 LYS 62 HZ1 LYS 62 -2.463 4.986 28.344 518 HZ2 LYS 62 HZ2 LYS 62 -2.467 4.246 29.863 519 HZ3 LYS 62 HZ3 LYS 62 -3.669 5.362 29.469 520 H LYS 63 HN LYS 63 -6.804 2.433 22.652 521 HA LYS 63 HA LYS 63 -9.349 3.784 22.037 522 HB2 LYS 63 HB2 LYS 63 -6.707 3.999 20.577 523 HB3 LYS 63 HB1 LYS 63 -8.170 4.910 20.218 524 HG2 LYS 63 HG2 LYS 63 -7.994 5.747 22.650 525 HG3 LYS 63 HG1 LYS 63 -6.338 5.147 22.581 526 HD2 LYS 63 HD2 LYS 63 -6.385 7.512 22.049 527 HD3 LYS 63 HD1 LYS 63 -5.925 6.589 20.616 528 HE2 LYS 63 HE2 LYS 63 -8.129 6.816 19.689 529 HE3 LYS 63 HE1 LYS 63 -8.739 7.529 21.182 530 HZ1 LYS 63 HZ1 LYS 63 -8.327 9.193 19.478 531 HZ2 LYS 63 HZ2 LYS 63 -6.699 8.748 19.410 532 HZ3 LYS 63 HZ3 LYS 63 -7.325 9.438 20.814 533 H THR 64 HN THR 64 -8.695 0.788 21.880 534 HA THR 64 HA THR 64 -8.345 0.008 19.206 535 HB THR 64 HB THR 64 -7.968 -1.607 20.940 536 HG1 THR 64 HG1 THR 64 -9.225 -3.346 20.081 537 HG21 THR 64 HG21 THR 64 -10.933 -1.482 21.541 538 HG22 THR 64 HG22 THR 64 -9.655 -0.820 22.563 539 HG23 THR 64 HG23 THR 64 -9.758 -2.560 22.299 540 H LYS 65 HN LYS 65 -9.740 -0.915 17.700 541 HA LYS 65 HA LYS 65 -12.062 0.467 17.052 542 HB2 LYS 65 HB2 LYS 65 -10.723 -0.769 15.428 543 HB3 LYS 65 HB1 LYS 65 -11.148 -2.291 16.194 544 HG2 LYS 65 HG2 LYS 65 -13.501 -1.939 15.550 545 HG3 LYS 65 HG1 LYS 65 -13.039 -0.439 14.744 546 HD2 LYS 65 HD2 LYS 65 -11.563 -1.699 13.236 547 HD3 LYS 65 HD1 LYS 65 -12.010 -3.201 14.046 548 HE2 LYS 65 HE2 LYS 65 -14.365 -2.819 13.365 549 HE3 LYS 65 HE1 LYS 65 -13.849 -1.379 12.487 550 HZ1 LYS 65 HZ1 LYS 65 -14.054 -3.260 11.007 551 HZ2 LYS 65 HZ2 LYS 65 -12.973 -4.165 11.937 552 HZ3 LYS 65 HZ3 LYS 65 -12.433 -2.796 11.108 553 H ASN 66 HN ASN 66 -11.773 -2.799 18.443 554 HA ASN 66 HA ASN 66 -14.522 -2.555 19.491 555 HB2 ASN 66 HB2 ASN 66 -14.561 -4.159 17.674 556 HB3 ASN 66 HB1 ASN 66 -13.181 -5.019 18.348 557 HD21 ASN 66 HD21 ASN 66 -14.422 -6.926 18.370 558 HD22 ASN 66 HD22 ASN 66 -15.631 -7.197 19.572 559 H GLU 67 HN GLU 67 -14.801 -3.015 21.615 560 HA GLU 67 HA GLU 67 -12.624 -3.022 23.378 561 HB2 GLU 67 HB2 GLU 67 -15.493 -3.857 23.843 562 HB3 GLU 67 HB1 GLU 67 -14.315 -3.631 25.129 563 HG2 GLU 67 HG2 GLU 67 -14.084 -1.278 24.522 564 HG3 GLU 67 HG1 GLU 67 -15.234 -1.498 23.203 565 H GLU 68 HN GLU 68 -14.425 -5.720 21.997 566 HA GLU 68 HA GLU 68 -13.356 -7.739 23.697 567 HB2 GLU 68 HB2 GLU 68 -14.446 -8.007 20.885 568 HB3 GLU 68 HB1 GLU 68 -14.222 -9.320 22.037 569 HG2 GLU 68 HG2 GLU 68 -16.115 -6.987 22.346 570 HG3 GLU 68 HG1 GLU 68 -16.557 -8.639 21.923 571 H LEU 69 HN LEU 69 -12.241 -6.247 20.734 572 HA LEU 69 HA LEU 69 -10.191 -8.035 20.033 573 HB2 LEU 69 HB2 LEU 69 -11.098 -6.126 18.656 574 HB3 LEU 69 HB1 LEU 69 -10.189 -5.025 19.667 575 HG LEU 69 HG LEU 69 -8.796 -7.214 18.123 576 HD11 LEU 69 HD11 LEU 69 -8.420 -5.608 16.310 577 HD12 LEU 69 HD12 LEU 69 -9.483 -4.450 17.113 578 HD13 LEU 69 HD13 LEU 69 -10.134 -5.974 16.507 579 HD21 LEU 69 HD21 LEU 69 -6.891 -5.671 18.234 580 HD22 LEU 69 HD22 LEU 69 -7.485 -6.063 19.846 581 HD23 LEU 69 HD23 LEU 69 -7.878 -4.505 19.118 582 H ALA 70 HN ALA 70 -10.302 -5.373 22.350 583 HA ALA 70 HA ALA 70 -7.604 -5.180 23.034 584 HB1 ALA 70 HB1 ALA 70 -9.280 -3.585 23.798 585 HB2 ALA 70 HB2 ALA 70 -8.376 -4.237 25.164 586 HB3 ALA 70 HB3 ALA 70 -10.007 -4.818 24.827 587 H LYS 71 HN LYS 71 -10.088 -7.388 24.360 588 HA LYS 71 HA LYS 71 -8.368 -8.635 26.251 589 HB2 LYS 71 HB2 LYS 71 -10.885 -9.692 24.940 590 HB3 LYS 71 HB1 LYS 71 -10.034 -10.507 26.241 591 HG2 LYS 71 HG2 LYS 71 -11.699 -9.445 27.398 592 HG3 LYS 71 HG1 LYS 71 -10.401 -8.259 27.520 593 HD2 LYS 71 HD2 LYS 71 -11.369 -6.934 25.755 594 HD3 LYS 71 HD1 LYS 71 -12.574 -8.179 25.420 595 HE2 LYS 71 HE2 LYS 71 -13.481 -7.841 27.720 596 HE3 LYS 71 HE1 LYS 71 -12.346 -6.508 27.932 597 HZ1 LYS 71 HZ1 LYS 71 -13.385 -5.360 26.093 598 HZ2 LYS 71 HZ2 LYS 71 -14.544 -5.741 27.267 599 HZ3 LYS 71 HZ3 LYS 71 -14.452 -6.652 25.846 600 H ARG 72 HN ARG 72 -9.248 -9.429 22.918 601 HA ARG 72 HA ARG 72 -7.966 -11.944 22.796 602 HB2 ARG 72 HB2 ARG 72 -9.741 -10.837 21.229 603 HB3 ARG 72 HB1 ARG 72 -8.351 -10.174 20.386 604 HG2 ARG 72 HG2 ARG 72 -8.676 -13.124 20.884 605 HG3 ARG 72 HG1 ARG 72 -9.360 -12.320 19.473 606 HD2 ARG 72 HD2 ARG 72 -7.170 -11.665 18.718 607 HD3 ARG 72 HD1 ARG 72 -6.430 -12.267 20.204 608 HE ARG 72 HE ARG 72 -7.550 -14.484 19.304 609 HH11 ARG 72 HH11 ARG 72 -5.796 -12.110 17.513 610 HH12 ARG 72 HH12 ARG 72 -5.156 -13.276 16.407 611 HH21 ARG 72 HH21 ARG 72 -6.719 -15.946 17.876 612 HH22 ARG 72 HH22 ARG 72 -5.658 -15.409 16.619 613 H ALA 73 HN ALA 73 -6.861 -8.699 21.892 614 HA ALA 73 HA ALA 73 -4.437 -9.492 20.674 615 HB1 ALA 73 HB1 ALA 73 -5.153 -6.826 21.892 616 HB2 ALA 73 HB2 ALA 73 -5.503 -7.334 20.240 617 HB3 ALA 73 HB3 ALA 73 -3.831 -7.133 20.766 618 H LYS 74 HN LYS 74 -5.242 -8.806 24.039 619 HA LYS 74 HA LYS 74 -2.744 -8.088 25.021 620 HB2 LYS 74 HB2 LYS 74 -4.862 -7.951 26.314 621 HB3 LYS 74 HB1 LYS 74 -4.828 -9.700 26.514 622 HG2 LYS 74 HG2 LYS 74 -2.717 -9.528 27.740 623 HG3 LYS 74 HG1 LYS 74 -2.729 -7.777 27.529 624 HD2 LYS 74 HD2 LYS 74 -4.834 -7.659 28.819 625 HD3 LYS 74 HD1 LYS 74 -4.764 -9.407 29.058 626 HE2 LYS 74 HE2 LYS 74 -2.613 -9.154 30.223 627 HE3 LYS 74 HE1 LYS 74 -2.702 -7.408 30.001 628 HZ1 LYS 74 HZ1 LYS 74 -4.596 -9.069 31.568 629 HZ2 LYS 74 HZ2 LYS 74 -4.740 -7.403 31.321 630 HZ3 LYS 74 HZ3 LYS 74 -3.431 -8.016 32.196 631 H LYS 75 HN LYS 75 -4.016 -11.359 24.481 632 HA LYS 75 HA LYS 75 -1.971 -12.823 25.721 633 HB2 LYS 75 HB2 LYS 75 -3.648 -13.493 23.296 634 HB3 LYS 75 HB1 LYS 75 -2.533 -14.631 24.033 635 HG2 LYS 75 HG2 LYS 75 -4.638 -15.192 24.893 636 HG3 LYS 75 HG1 LYS 75 -3.840 -14.303 26.189 637 HD2 LYS 75 HD2 LYS 75 -5.094 -12.287 25.598 638 HD3 LYS 75 HD1 LYS 75 -5.854 -13.140 24.252 639 HE2 LYS 75 HE2 LYS 75 -6.847 -14.733 25.884 640 HE3 LYS 75 HE1 LYS 75 -6.164 -13.769 27.192 641 HZ1 LYS 75 HZ1 LYS 75 -8.468 -13.200 26.811 642 HZ2 LYS 75 HZ2 LYS 75 -8.150 -12.832 25.194 643 HZ3 LYS 75 HZ3 LYS 75 -7.481 -11.882 26.424 644 H LEU 76 HN LEU 76 -2.157 -11.525 22.420 645 HA LEU 76 HA LEU 76 0.212 -12.667 21.414 646 HB2 LEU 76 HB2 LEU 76 -1.132 -10.077 20.616 647 HB3 LEU 76 HB1 LEU 76 0.084 -10.917 19.671 648 HG LEU 76 HG LEU 76 -2.672 -11.976 20.332 649 HD11 LEU 76 HD11 LEU 76 -3.155 -11.656 17.969 650 HD12 LEU 76 HD12 LEU 76 -1.547 -10.978 17.715 651 HD13 LEU 76 HD13 LEU 76 -2.714 -10.126 18.726 652 HD21 LEU 76 HD21 LEU 76 -2.130 -13.786 18.773 653 HD22 LEU 76 HD22 LEU 76 -1.033 -13.775 20.154 654 HD23 LEU 76 HD23 LEU 76 -0.495 -13.147 18.595 655 H LEU 77 HN LEU 77 -0.353 -9.681 23.200 656 HA LEU 77 HA LEU 77 2.099 -8.403 22.850 657 HB2 LEU 77 HB2 LEU 77 0.058 -8.377 25.040 658 HB3 LEU 77 HB1 LEU 77 1.578 -7.538 25.278 659 HG LEU 77 HG LEU 77 1.132 -6.081 23.386 660 HD11 LEU 77 HD11 LEU 77 -1.441 -7.620 23.029 661 HD12 LEU 77 HD12 LEU 77 -0.053 -7.649 21.941 662 HD13 LEU 77 HD13 LEU 77 -0.972 -6.161 22.153 663 HD21 LEU 77 HD21 LEU 77 -1.236 -6.290 25.250 664 HD22 LEU 77 HD22 LEU 77 -0.830 -4.887 24.261 665 HD23 LEU 77 HD23 LEU 77 0.259 -5.403 25.548 666 H ARG 78 HN ARG 78 1.298 -11.120 24.928 667 HA ARG 78 HA ARG 78 3.440 -11.036 26.717 668 HB2 ARG 78 HB2 ARG 78 2.031 -13.449 25.559 669 HB3 ARG 78 HB1 ARG 78 3.136 -13.505 26.925 670 HG2 ARG 78 HG2 ARG 78 0.478 -12.090 26.800 671 HG3 ARG 78 HG1 ARG 78 0.876 -13.534 27.729 672 HD2 ARG 78 HD2 ARG 78 2.643 -12.064 28.891 673 HD3 ARG 78 HD1 ARG 78 1.783 -10.697 28.184 674 HE ARG 78 HE ARG 78 1.048 -12.085 30.495 675 HH11 ARG 78 HH11 ARG 78 -0.422 -10.764 27.655 676 HH12 ARG 78 HH12 ARG 78 -1.981 -10.679 28.387 677 HH21 ARG 78 HH21 ARG 78 -0.962 -11.899 31.421 678 HH22 ARG 78 HH22 ARG 78 -2.280 -11.292 30.484 679 H SER 79 HN SER 79 3.318 -12.294 23.412 680 HA SER 79 HA SER 79 5.779 -13.628 23.347 681 HB2 SER 79 HB2 SER 79 4.344 -12.157 21.118 682 HB3 SER 79 HB1 SER 79 5.719 -13.235 20.877 683 HG SER 79 HG SER 79 3.828 -14.400 20.564 684 H TRP 80 HN TRP 80 5.079 -10.206 23.256 685 HA TRP 80 HA TRP 80 7.859 -9.490 22.682 686 HB2 TRP 80 HB2 TRP 80 5.578 -7.664 23.485 687 HB3 TRP 80 HB1 TRP 80 7.120 -7.183 22.789 688 HD1 TRP 80 HD1 TRP 80 6.677 -9.768 20.546 689 HE1 TRP 80 HE1 TRP 80 5.244 -9.158 18.498 690 HE3 TRP 80 HE3 TRP 80 4.377 -5.590 22.378 691 HZ2 TRP 80 HZ2 TRP 80 3.383 -7.165 17.753 692 HZ3 TRP 80 HZ3 TRP 80 2.792 -4.382 20.938 693 HH2 TRP 80 HH2 TRP 80 2.304 -5.154 18.669 694 H GLN 81 HN GLN 81 5.513 -9.215 25.330 695 HA GLN 81 HA GLN 81 7.085 -7.931 27.235 696 HB2 GLN 81 HB2 GLN 81 4.875 -9.950 27.666 697 HB3 GLN 81 HB1 GLN 81 5.521 -8.886 28.909 698 HG2 GLN 81 HG2 GLN 81 4.117 -8.013 26.387 699 HG3 GLN 81 HG1 GLN 81 3.422 -8.042 28.006 700 HE21 GLN 81 HE21 GLN 81 5.630 -6.420 25.866 701 HE22 GLN 81 HE22 GLN 81 5.844 -5.011 26.839 702 H LYS 82 HN LYS 82 7.380 -11.106 26.053 703 HA LYS 82 HA LYS 82 8.346 -12.568 28.209 704 HB2 LYS 82 HB2 LYS 82 7.742 -13.526 26.040 705 HB3 LYS 82 HB1 LYS 82 9.085 -12.705 25.270 706 HG2 LYS 82 HG2 LYS 82 9.579 -14.697 27.459 707 HG3 LYS 82 HG1 LYS 82 9.257 -15.233 25.811 708 HD2 LYS 82 HD2 LYS 82 11.157 -13.795 25.043 709 HD3 LYS 82 HD1 LYS 82 11.519 -13.452 26.734 710 HE2 LYS 82 HE2 LYS 82 12.978 -15.203 26.016 711 HE3 LYS 82 HE1 LYS 82 11.782 -15.912 27.102 712 HZ1 LYS 82 HZ1 LYS 82 10.543 -16.663 25.143 713 HZ2 LYS 82 HZ2 LYS 82 12.107 -17.299 25.171 714 HZ3 LYS 82 HZ3 LYS 82 11.736 -16.020 24.136 715 H LEU 83 HN LEU 83 9.920 -9.998 26.443 716 HA LEU 83 HA LEU 83 12.592 -10.638 27.056 717 HB2 LEU 83 HB2 LEU 83 13.035 -8.178 26.706 718 HB3 LEU 83 HB1 LEU 83 12.291 -9.038 25.378 719 HG LEU 83 HG LEU 83 10.054 -8.079 26.294 720 HD11 LEU 83 HD11 LEU 83 10.251 -5.927 27.419 721 HD12 LEU 83 HD12 LEU 83 11.997 -6.145 27.547 722 HD13 LEU 83 HD13 LEU 83 10.906 -7.230 28.407 723 HD21 LEU 83 HD21 LEU 83 10.330 -6.049 24.966 724 HD22 LEU 83 HD22 LEU 83 11.051 -7.441 24.160 725 HD23 LEU 83 HD23 LEU 83 12.081 -6.266 24.980 726 H ILE 84 HN ILE 84 10.150 -8.955 29.004 727 HA ILE 84 HA ILE 84 12.104 -8.829 31.222 728 HB ILE 84 HB ILE 84 10.355 -7.407 32.378 729 HG12 ILE 84 HG12 ILE 84 9.178 -7.347 29.581 730 HG13 ILE 84 HG11 ILE 84 8.421 -8.034 31.014 731 HG21 ILE 84 HG21 ILE 84 10.987 -5.360 31.172 732 HG22 ILE 84 HG22 ILE 84 11.594 -6.342 29.840 733 HG23 ILE 84 HG23 ILE 84 12.362 -6.436 31.423 734 HD11 ILE 84 HD11 ILE 84 8.313 -5.806 32.016 735 HD12 ILE 84 HD12 ILE 84 7.460 -5.885 30.476 736 HD13 ILE 84 HD13 ILE 84 9.050 -5.124 30.565 737 H GLU 85 HN GLU 85 9.256 -10.483 30.173 738 HA GLU 85 HA GLU 85 8.689 -11.427 32.913 739 HB2 GLU 85 HB2 GLU 85 6.972 -10.550 30.745 740 HB3 GLU 85 HB1 GLU 85 6.552 -12.184 31.227 741 HG2 GLU 85 HG2 GLU 85 5.179 -10.794 32.506 742 HG3 GLU 85 HG1 GLU 85 6.451 -11.315 33.606 743 HA PRO 86 HA PRO 86 9.507 -15.652 31.546 744 HB2 PRO 86 HB2 PRO 86 8.287 -17.020 33.508 745 HB3 PRO 86 HB1 PRO 86 9.749 -16.077 33.824 746 HG2 PRO 86 HG2 PRO 86 6.884 -15.356 34.346 747 HG3 PRO 86 HG1 PRO 86 8.295 -15.147 35.400 748 HD2 PRO 86 HD2 PRO 86 7.232 -13.141 33.861 749 HD3 PRO 86 HD1 PRO 86 8.938 -13.203 34.351 750 H ALA 87 HN ALA 87 6.898 -14.057 30.813 751 HA ALA 87 HA ALA 87 4.896 -16.124 30.555 752 HB1 ALA 87 HB1 ALA 87 4.274 -13.781 30.975 753 HB2 ALA 87 HB2 ALA 87 3.544 -14.406 29.496 754 HB3 ALA 87 HB3 ALA 87 4.941 -13.332 29.403 755 H HIS 88 HN HIS 88 5.058 -17.649 29.052 756 HA HIS 88 HA HIS 88 5.161 -17.247 26.306 757 HB2 HIS 88 HB2 HIS 88 7.446 -18.084 25.740 758 HB3 HIS 88 HB1 HIS 88 7.458 -16.509 26.523 759 HD1 HIS 88 HD1 HIS 88 8.420 -20.099 27.091 760 HD2 HIS 88 HD2 HIS 88 8.709 -16.425 29.015 761 HE1 HIS 88 HE1 HIS 88 10.003 -20.461 29.002 762 HE2 HIS 88 HE2 HIS 88 10.208 -18.218 30.118 763 H GLN 89 HN GLN 89 5.606 -19.311 29.040 764 HA GLN 89 HA GLN 89 5.901 -21.780 27.682 765 HB2 GLN 89 HB2 GLN 89 6.546 -21.267 30.065 766 HB3 GLN 89 HB1 GLN 89 4.843 -21.352 30.484 767 HG2 GLN 89 HG2 GLN 89 5.963 -23.696 29.062 768 HG3 GLN 89 HG1 GLN 89 6.543 -23.419 30.700 769 HE21 GLN 89 HE21 GLN 89 5.115 -23.610 32.422 770 HE22 GLN 89 HE22 GLN 89 3.582 -24.389 32.255 771 H HIS 90 HN HIS 90 3.064 -19.980 28.768 772 HA HIS 90 HA HIS 90 1.310 -22.073 27.607 773 HB2 HIS 90 HB2 HIS 90 0.146 -19.928 29.324 774 HB3 HIS 90 HB1 HIS 90 -0.309 -21.620 29.179 775 HD1 HIS 90 HD1 HIS 90 1.891 -19.289 31.055 776 HD2 HIS 90 HD2 HIS 90 1.051 -23.361 30.933 777 HE1 HIS 90 HE1 HIS 90 2.913 -20.254 33.139 778 HE2 HIS 90 HE2 HIS 90 2.180 -22.659 33.149 779 H GLU 91 HN GLU 91 2.336 -18.785 27.381 780 HA GLU 91 HA GLU 91 -0.033 -18.040 25.788 781 HB2 GLU 91 HB2 GLU 91 0.343 -15.716 26.737 782 HB3 GLU 91 HB1 GLU 91 -0.243 -16.930 27.860 783 HG2 GLU 91 HG2 GLU 91 2.661 -16.141 27.636 784 HG3 GLU 91 HG1 GLU 91 1.527 -15.374 28.742 785 H ALA 92 HN ALA 92 2.372 -19.042 24.598 786 HA ALA 92 HA ALA 92 3.063 -16.674 22.977 787 HB1 ALA 92 HB1 ALA 92 5.030 -18.805 23.819 788 HB2 ALA 92 HB2 ALA 92 4.953 -17.161 24.454 789 HB3 ALA 92 HB3 ALA 92 5.370 -17.435 22.761 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -1.952 -12.280 0.496 2 H2 MET 1 HT2 MET 1 -2.978 -11.050 1.034 3 H3 MET 1 HT3 MET 1 -1.768 -11.647 2.052 4 HA MET 1 HA MET 1 -1.279 -10.246 -0.511 5 HB2 MET 1 HB2 MET 1 -1.138 -9.225 2.337 6 HB3 MET 1 HB1 MET 1 -0.439 -8.378 0.962 7 HG2 MET 1 HG2 MET 1 -2.593 -7.438 1.558 8 HG3 MET 1 HG1 MET 1 -2.651 -8.169 -0.045 9 HE1 MET 1 HE1 MET 1 -5.319 -8.069 0.062 10 HE2 MET 1 HE2 MET 1 -5.250 -7.375 1.683 11 HE3 MET 1 HE3 MET 1 -6.270 -8.779 1.367 12 H THR 2 HN THR 2 0.897 -9.902 -1.027 13 HA THR 2 HA THR 2 2.835 -11.500 0.534 14 HB THR 2 HB THR 2 3.071 -10.670 -2.372 15 HG1 THR 2 HG1 THR 2 1.399 -12.332 -1.724 16 HG21 THR 2 HG21 THR 2 5.240 -11.020 -1.305 17 HG22 THR 2 HG22 THR 2 4.897 -12.329 -2.436 18 HG23 THR 2 HG23 THR 2 4.708 -12.591 -0.703 19 H ALA 3 HN ALA 3 3.170 -9.724 1.998 20 HA ALA 3 HA ALA 3 5.335 -8.007 1.099 21 HB1 ALA 3 HB1 ALA 3 3.331 -6.653 0.625 22 HB2 ALA 3 HB2 ALA 3 4.347 -5.929 1.873 23 HB3 ALA 3 HB3 ALA 3 2.863 -6.772 2.323 24 H ALA 4 HN ALA 4 6.725 -8.969 2.521 25 HA ALA 4 HA ALA 4 5.986 -9.217 5.340 26 HB1 ALA 4 HB1 ALA 4 7.014 -11.150 4.261 27 HB2 ALA 4 HB2 ALA 4 8.042 -10.535 5.556 28 HB3 ALA 4 HB3 ALA 4 8.441 -10.188 3.873 29 HA PRO 5 HA PRO 5 8.068 -5.325 6.278 30 HB2 PRO 5 HB2 PRO 5 7.885 -6.336 9.067 31 HB3 PRO 5 HB1 PRO 5 7.284 -4.826 8.373 32 HG2 PRO 5 HG2 PRO 5 5.604 -6.798 9.021 33 HG3 PRO 5 HG1 PRO 5 5.342 -5.812 7.569 34 HD2 PRO 5 HD2 PRO 5 6.483 -8.580 7.801 35 HD3 PRO 5 HD1 PRO 5 5.332 -7.933 6.611 36 H ALA 6 HN ALA 6 9.204 -8.496 6.996 37 HA ALA 6 HA ALA 6 11.249 -9.408 7.343 38 HB1 ALA 6 HB1 ALA 6 12.297 -6.748 6.370 39 HB2 ALA 6 HB2 ALA 6 11.825 -8.102 5.345 40 HB3 ALA 6 HB3 ALA 6 13.195 -8.263 6.443 41 H SER 7 HN SER 7 12.340 -6.133 8.148 42 HA SER 7 HA SER 7 13.231 -7.097 10.762 43 HB2 SER 7 HB2 SER 7 14.848 -5.874 9.369 44 HB3 SER 7 HB1 SER 7 13.782 -4.470 9.345 45 HG SER 7 HG SER 7 15.481 -4.348 10.924 46 HA PRO 8 HA PRO 8 9.505 -5.528 12.763 47 HB2 PRO 8 HB2 PRO 8 11.435 -5.548 15.056 48 HB3 PRO 8 HB1 PRO 8 9.772 -6.148 14.978 49 HG2 PRO 8 HG2 PRO 8 11.790 -7.860 14.851 50 HG3 PRO 8 HG1 PRO 8 10.383 -8.063 13.787 51 HD2 PRO 8 HD2 PRO 8 13.115 -7.021 13.141 52 HD3 PRO 8 HD1 PRO 8 12.026 -8.021 12.158 53 H GLN 9 HN GLN 9 12.648 -3.968 12.965 54 HA GLN 9 HA GLN 9 11.942 -1.617 14.351 55 HB2 GLN 9 HB2 GLN 9 13.945 -1.565 12.108 56 HB3 GLN 9 HB1 GLN 9 14.013 -0.761 13.671 57 HG2 GLN 9 HG2 GLN 9 14.429 -2.919 14.750 58 HG3 GLN 9 HG1 GLN 9 14.366 -3.715 13.183 59 HE21 GLN 9 HE21 GLN 9 16.552 -3.666 15.046 60 HE22 GLN 9 HE22 GLN 9 17.888 -2.945 14.225 61 H GLN 10 HN GLN 10 11.872 -2.452 10.954 62 HA GLN 10 HA GLN 10 11.272 0.066 9.867 63 HB2 GLN 10 HB2 GLN 10 10.760 -2.721 8.811 64 HB3 GLN 10 HB1 GLN 10 10.634 -1.250 7.848 65 HG2 GLN 10 HG2 GLN 10 12.956 -0.813 8.033 66 HG3 GLN 10 HG1 GLN 10 13.157 -2.030 9.293 67 HE21 GLN 10 HE21 GLN 10 11.575 -4.039 8.015 68 HE22 GLN 10 HE22 GLN 10 12.474 -4.605 6.652 69 H ILE 11 HN ILE 11 9.215 -2.331 11.346 70 HA ILE 11 HA ILE 11 6.753 -1.722 10.156 71 HB ILE 11 HB ILE 11 7.249 -2.647 12.997 72 HG12 ILE 11 HG12 ILE 11 6.732 -4.236 10.463 73 HG13 ILE 11 HG11 ILE 11 8.262 -4.146 11.326 74 HG21 ILE 11 HG21 ILE 11 4.990 -1.792 12.741 75 HG22 ILE 11 HG22 ILE 11 4.950 -3.550 12.872 76 HG23 ILE 11 HG23 ILE 11 4.749 -2.780 11.298 77 HD11 ILE 11 HD11 ILE 11 5.704 -5.356 12.363 78 HD12 ILE 11 HD12 ILE 11 7.219 -5.240 13.258 79 HD13 ILE 11 HD13 ILE 11 7.130 -6.228 11.800 80 H ARG 12 HN ARG 12 8.478 -0.112 12.785 81 HA ARG 12 HA ARG 12 6.435 1.478 13.833 82 HB2 ARG 12 HB2 ARG 12 8.561 1.377 14.951 83 HB3 ARG 12 HB1 ARG 12 9.398 2.028 13.547 84 HG2 ARG 12 HG2 ARG 12 8.276 4.175 13.858 85 HG3 ARG 12 HG1 ARG 12 7.396 3.524 15.240 86 HD2 ARG 12 HD2 ARG 12 9.420 3.285 16.503 87 HD3 ARG 12 HD1 ARG 12 10.408 3.672 15.094 88 HE ARG 12 HE ARG 12 9.691 5.938 15.256 89 HH11 ARG 12 HH11 ARG 12 8.808 3.998 17.975 90 HH12 ARG 12 HH12 ARG 12 8.388 5.370 18.940 91 HH21 ARG 12 HH21 ARG 12 9.198 7.662 16.520 92 HH22 ARG 12 HH22 ARG 12 8.596 7.422 18.125 93 H ASP 13 HN ASP 13 8.380 1.949 10.933 94 HA ASP 13 HA ASP 13 7.837 4.632 10.387 95 HB2 ASP 13 HB2 ASP 13 9.521 3.216 9.213 96 HB3 ASP 13 HB1 ASP 13 8.209 2.394 8.375 97 H ARG 14 HN ARG 14 5.881 1.771 9.830 98 HA ARG 14 HA ARG 14 3.996 2.858 8.037 99 HB2 ARG 14 HB2 ARG 14 4.218 0.455 8.376 100 HB3 ARG 14 HB1 ARG 14 3.706 0.613 10.051 101 HG2 ARG 14 HG2 ARG 14 1.488 1.364 9.293 102 HG3 ARG 14 HG1 ARG 14 2.009 1.174 7.618 103 HD2 ARG 14 HD2 ARG 14 1.950 -1.062 9.650 104 HD3 ARG 14 HD1 ARG 14 0.653 -0.732 8.503 105 HE ARG 14 HE ARG 14 3.369 -1.627 7.787 106 HH11 ARG 14 HH11 ARG 14 0.043 -1.235 7.030 107 HH12 ARG 14 HH12 ARG 14 0.117 -2.237 5.626 108 HH21 ARG 14 HH21 ARG 14 3.455 -2.959 5.982 109 HH22 ARG 14 HH22 ARG 14 2.024 -3.190 5.038 110 H LEU 15 HN LEU 15 4.258 3.085 11.525 111 HA LEU 15 HA LEU 15 1.558 3.809 12.056 112 HB2 LEU 15 HB2 LEU 15 4.095 4.117 13.651 113 HB3 LEU 15 HB1 LEU 15 2.546 4.683 14.247 114 HG LEU 15 HG LEU 15 1.673 2.357 14.099 115 HD11 LEU 15 HD11 LEU 15 4.529 1.627 13.453 116 HD12 LEU 15 HD12 LEU 15 3.141 1.474 12.372 117 HD13 LEU 15 HD13 LEU 15 3.231 0.493 13.834 118 HD21 LEU 15 HD21 LEU 15 2.900 1.504 16.050 119 HD22 LEU 15 HD22 LEU 15 2.508 3.216 16.210 120 HD23 LEU 15 HD23 LEU 15 4.148 2.723 15.789 121 H LEU 16 HN LEU 16 4.486 5.769 11.526 122 HA LEU 16 HA LEU 16 3.524 8.199 12.497 123 HB2 LEU 16 HB2 LEU 16 5.621 7.591 10.427 124 HB3 LEU 16 HB1 LEU 16 5.256 9.233 10.915 125 HG LEU 16 HG LEU 16 7.203 8.487 12.109 126 HD11 LEU 16 HD11 LEU 16 6.488 8.788 14.431 127 HD12 LEU 16 HD12 LEU 16 4.810 8.523 13.950 128 HD13 LEU 16 HD13 LEU 16 5.690 9.930 13.349 129 HD21 LEU 16 HD21 LEU 16 7.203 6.562 13.601 130 HD22 LEU 16 HD22 LEU 16 6.842 6.071 11.947 131 HD23 LEU 16 HD23 LEU 16 5.544 6.182 13.136 132 H GLN 17 HN GLN 17 3.029 6.792 9.303 133 HA GLN 17 HA GLN 17 2.018 9.229 8.155 134 HB2 GLN 17 HB2 GLN 17 1.432 7.794 6.213 135 HB3 GLN 17 HB1 GLN 17 3.110 7.655 6.709 136 HG2 GLN 17 HG2 GLN 17 2.577 5.464 6.321 137 HG3 GLN 17 HG1 GLN 17 2.268 5.583 8.051 138 HE21 GLN 17 HE21 GLN 17 0.816 3.882 8.060 139 HE22 GLN 17 HE22 GLN 17 -0.747 3.986 7.340 140 H ALA 18 HN ALA 18 0.644 6.977 10.256 141 HA ALA 18 HA ALA 18 -2.092 7.482 9.263 142 HB1 ALA 18 HB1 ALA 18 -1.446 5.128 9.374 143 HB2 ALA 18 HB2 ALA 18 -2.764 5.488 10.489 144 HB3 ALA 18 HB3 ALA 18 -1.119 5.296 11.099 145 H ILE 19 HN ILE 19 0.005 7.975 12.022 146 HA ILE 19 HA ILE 19 -2.280 9.105 13.529 147 HB ILE 19 HB ILE 19 -1.248 8.393 15.628 148 HG12 ILE 19 HG12 ILE 19 0.790 6.978 13.879 149 HG13 ILE 19 HG11 ILE 19 1.108 8.382 14.891 150 HG21 ILE 19 HG21 ILE 19 -2.897 6.934 14.578 151 HG22 ILE 19 HG22 ILE 19 -1.689 5.987 15.448 152 HG23 ILE 19 HG23 ILE 19 -1.618 6.106 13.689 153 HD11 ILE 19 HD11 ILE 19 1.911 6.363 15.948 154 HD12 ILE 19 HD12 ILE 19 0.303 5.644 15.856 155 HD13 ILE 19 HD13 ILE 19 0.583 7.053 16.882 156 H ASP 20 HN ASP 20 -1.921 10.948 14.780 157 HA ASP 20 HA ASP 20 0.205 12.709 14.041 158 HB2 ASP 20 HB2 ASP 20 -1.736 12.926 16.359 159 HB3 ASP 20 HB1 ASP 20 -0.776 14.239 15.683 160 HA PRO 21 HA PRO 21 3.405 11.750 17.042 161 HB2 PRO 21 HB2 PRO 21 3.500 14.702 17.492 162 HB3 PRO 21 HB1 PRO 21 4.815 13.582 17.115 163 HG2 PRO 21 HG2 PRO 21 3.857 15.210 15.244 164 HG3 PRO 21 HG1 PRO 21 4.296 13.538 14.843 165 HD2 PRO 21 HD2 PRO 21 1.586 14.743 15.250 166 HD3 PRO 21 HD1 PRO 21 2.107 13.508 14.085 167 H GLN 22 HN GLN 22 0.769 13.919 17.878 168 HA GLN 22 HA GLN 22 1.130 13.482 20.737 169 HB2 GLN 22 HB2 GLN 22 -0.905 15.086 19.180 170 HB3 GLN 22 HB1 GLN 22 -0.888 14.964 20.935 171 HG2 GLN 22 HG2 GLN 22 1.341 16.081 19.237 172 HG3 GLN 22 HG1 GLN 22 0.158 17.032 20.133 173 HE21 GLN 22 HE21 GLN 22 0.174 15.230 22.436 174 HE22 GLN 22 HE22 GLN 22 1.671 15.500 23.247 175 H SER 23 HN SER 23 0.284 11.316 18.748 176 HA SER 23 HA SER 23 -0.793 9.333 18.982 177 HB2 SER 23 HB2 SER 23 -1.464 10.457 21.708 178 HB3 SER 23 HB1 SER 23 -1.833 8.805 21.213 179 HG SER 23 HG SER 23 0.264 8.305 21.201 180 H ASN 24 HN ASN 24 -2.191 11.369 17.589 181 HA ASN 24 HA ASN 24 -4.998 10.607 18.142 182 HB2 ASN 24 HB2 ASN 24 -4.068 12.931 16.437 183 HB3 ASN 24 HB1 ASN 24 -5.710 12.595 16.982 184 HD21 ASN 24 HD21 ASN 24 -2.604 13.812 17.856 185 HD22 ASN 24 HD22 ASN 24 -3.052 14.469 19.385 186 H ILE 25 HN ILE 25 -6.365 10.176 16.207 187 HA ILE 25 HA ILE 25 -4.844 8.679 14.187 188 HB ILE 25 HB ILE 25 -7.817 8.702 14.768 189 HG12 ILE 25 HG12 ILE 25 -6.471 7.641 16.538 190 HG13 ILE 25 HG11 ILE 25 -7.447 6.456 15.678 191 HG21 ILE 25 HG21 ILE 25 -6.254 6.956 12.855 192 HG22 ILE 25 HG22 ILE 25 -7.395 8.225 12.409 193 HG23 ILE 25 HG23 ILE 25 -7.966 6.782 13.246 194 HD11 ILE 25 HD11 ILE 25 -4.504 6.953 15.289 195 HD12 ILE 25 HD12 ILE 25 -5.474 5.783 14.392 196 HD13 ILE 25 HD13 ILE 25 -5.241 5.589 16.130 197 H ARG 26 HN ARG 26 -4.535 9.441 12.173 198 HA ARG 26 HA ARG 26 -6.224 11.643 11.191 199 HB2 ARG 26 HB2 ARG 26 -3.563 10.575 10.229 200 HB3 ARG 26 HB1 ARG 26 -4.469 11.827 9.392 201 HG2 ARG 26 HG2 ARG 26 -3.548 12.078 12.247 202 HG3 ARG 26 HG1 ARG 26 -2.603 12.628 10.865 203 HD2 ARG 26 HD2 ARG 26 -3.781 14.511 11.768 204 HD3 ARG 26 HD1 ARG 26 -4.504 14.099 10.217 205 HE ARG 26 HE ARG 26 -6.374 13.151 11.427 206 HH11 ARG 26 HH11 ARG 26 -4.188 14.988 13.334 207 HH12 ARG 26 HH12 ARG 26 -5.390 15.405 14.505 208 HH21 ARG 26 HH21 ARG 26 -7.902 13.675 12.943 209 HH22 ARG 26 HH22 ARG 26 -7.468 14.675 14.286 210 H ASN 27 HN ASN 27 -5.098 8.402 10.278 211 HA ASN 27 HA ASN 27 -7.289 8.258 8.313 212 HB2 ASN 27 HB2 ASN 27 -5.192 8.798 7.128 213 HB3 ASN 27 HB1 ASN 27 -4.442 7.357 7.807 214 HD21 ASN 27 HD21 ASN 27 -4.049 6.638 5.687 215 HD22 ASN 27 HD22 ASN 27 -5.307 5.954 4.723 216 H MET 28 HN MET 28 -8.596 6.729 9.043 217 HA MET 28 HA MET 28 -7.951 4.755 10.918 218 HB2 MET 28 HB2 MET 28 -10.227 5.598 10.563 219 HB3 MET 28 HB1 MET 28 -10.276 4.828 8.983 220 HG2 MET 28 HG2 MET 28 -9.992 2.626 10.119 221 HG3 MET 28 HG1 MET 28 -10.128 3.463 11.664 222 HE1 MET 28 HE1 MET 28 -13.524 3.307 8.542 223 HE2 MET 28 HE2 MET 28 -11.942 2.563 8.304 224 HE3 MET 28 HE3 MET 28 -12.093 4.321 8.355 225 H VAL 29 HN VAL 29 -8.445 4.384 7.388 226 HA VAL 29 HA VAL 29 -8.104 1.604 7.299 227 HB VAL 29 HB VAL 29 -9.031 2.922 5.424 228 HG11 VAL 29 HG11 VAL 29 -7.495 4.803 5.439 229 HG12 VAL 29 HG12 VAL 29 -7.528 4.052 3.844 230 HG13 VAL 29 HG13 VAL 29 -6.171 3.756 4.931 231 HG21 VAL 29 HG21 VAL 29 -8.019 1.623 3.612 232 HG22 VAL 29 HG22 VAL 29 -8.272 0.627 5.045 233 HG23 VAL 29 HG23 VAL 29 -6.656 1.217 4.656 234 H ALA 30 HN ALA 30 -5.700 4.188 7.252 235 HA ALA 30 HA ALA 30 -3.474 2.542 6.560 236 HB1 ALA 30 HB1 ALA 30 -3.448 4.948 6.194 237 HB2 ALA 30 HB2 ALA 30 -2.107 4.457 7.226 238 HB3 ALA 30 HB3 ALA 30 -3.528 5.226 7.933 239 H VAL 31 HN VAL 31 -4.647 3.815 9.695 240 HA VAL 31 HA VAL 31 -2.627 2.586 11.255 241 HB VAL 31 HB VAL 31 -3.979 4.471 12.093 242 HG11 VAL 31 HG11 VAL 31 -6.169 3.809 11.245 243 HG12 VAL 31 HG12 VAL 31 -6.223 4.118 12.980 244 HG13 VAL 31 HG13 VAL 31 -6.211 2.459 12.380 245 HG21 VAL 31 HG21 VAL 31 -4.107 1.999 13.828 246 HG22 VAL 31 HG22 VAL 31 -4.240 3.664 14.398 247 HG23 VAL 31 HG23 VAL 31 -2.735 3.099 13.673 248 H LEU 32 HN LEU 32 -5.773 1.452 10.160 249 HA LEU 32 HA LEU 32 -6.188 -0.728 11.823 250 HB2 LEU 32 HB2 LEU 32 -7.688 0.293 10.006 251 HB3 LEU 32 HB1 LEU 32 -6.838 -0.737 8.874 252 HG LEU 32 HG LEU 32 -8.338 -1.827 11.265 253 HD11 LEU 32 HD11 LEU 32 -9.915 -0.601 9.880 254 HD12 LEU 32 HD12 LEU 32 -10.172 -2.338 9.711 255 HD13 LEU 32 HD13 LEU 32 -9.338 -1.444 8.442 256 HD21 LEU 32 HD21 LEU 32 -8.343 -3.914 9.961 257 HD22 LEU 32 HD22 LEU 32 -6.707 -3.368 10.319 258 HD23 LEU 32 HD23 LEU 32 -7.381 -3.128 8.707 259 H GLU 33 HN GLU 33 -4.236 -0.568 8.846 260 HA GLU 33 HA GLU 33 -3.588 -3.279 8.622 261 HB2 GLU 33 HB2 GLU 33 -2.037 -0.820 7.808 262 HB3 GLU 33 HB1 GLU 33 -1.501 -2.451 7.433 263 HG2 GLU 33 HG2 GLU 33 -3.761 -2.771 6.301 264 HG3 GLU 33 HG1 GLU 33 -3.950 -1.023 6.438 265 H VAL 34 HN VAL 34 -2.229 -0.818 10.736 266 HA VAL 34 HA VAL 34 0.169 -2.069 11.465 267 HB VAL 34 HB VAL 34 -1.618 -0.328 13.186 268 HG11 VAL 34 HG11 VAL 34 0.413 0.175 14.472 269 HG12 VAL 34 HG12 VAL 34 1.318 -0.985 13.497 270 HG13 VAL 34 HG13 VAL 34 0.011 -1.542 14.544 271 HG21 VAL 34 HG21 VAL 34 -0.989 0.766 11.091 272 HG22 VAL 34 HG22 VAL 34 0.711 0.414 11.401 273 HG23 VAL 34 HG23 VAL 34 -0.167 1.520 12.457 274 H ILE 35 HN ILE 35 -3.100 -2.480 12.812 275 HA ILE 35 HA ILE 35 -2.420 -4.081 15.022 276 HB ILE 35 HB ILE 35 -4.979 -3.943 13.418 277 HG12 ILE 35 HG12 ILE 35 -5.795 -2.811 15.537 278 HG13 ILE 35 HG11 ILE 35 -4.127 -2.793 16.090 279 HG21 ILE 35 HG21 ILE 35 -4.888 -6.148 14.430 280 HG22 ILE 35 HG22 ILE 35 -6.074 -5.150 15.273 281 HG23 ILE 35 HG23 ILE 35 -4.492 -5.439 15.999 282 HD11 ILE 35 HD11 ILE 35 -5.171 -1.428 13.619 283 HD12 ILE 35 HD12 ILE 35 -3.512 -1.374 14.216 284 HD13 ILE 35 HD13 ILE 35 -4.813 -0.652 15.161 285 H SER 36 HN SER 36 -3.450 -5.067 11.745 286 HA SER 36 HA SER 36 -3.346 -7.855 12.235 287 HB2 SER 36 HB2 SER 36 -3.421 -8.101 9.772 288 HB3 SER 36 HB1 SER 36 -4.608 -6.928 10.347 289 HG SER 36 HG SER 36 -3.692 -5.777 8.811 290 H SER 37 HN SER 37 -0.981 -5.645 10.740 291 HA SER 37 HA SER 37 0.978 -7.542 10.105 292 HB2 SER 37 HB2 SER 37 2.579 -5.674 10.049 293 HB3 SER 37 HB1 SER 37 1.063 -5.231 9.271 294 HG SER 37 HG SER 37 0.531 -4.320 11.456 295 H LEU 38 HN LEU 38 0.494 -5.745 13.144 296 HA LEU 38 HA LEU 38 2.826 -6.678 14.443 297 HB2 LEU 38 HB2 LEU 38 0.298 -5.368 15.298 298 HB3 LEU 38 HB1 LEU 38 1.223 -6.187 16.543 299 HG LEU 38 HG LEU 38 3.152 -4.781 16.123 300 HD11 LEU 38 HD11 LEU 38 3.132 -2.959 14.513 301 HD12 LEU 38 HD12 LEU 38 1.531 -3.443 13.957 302 HD13 LEU 38 HD13 LEU 38 2.911 -4.508 13.699 303 HD21 LEU 38 HD21 LEU 38 2.237 -2.610 16.797 304 HD22 LEU 38 HD22 LEU 38 1.476 -3.937 17.674 305 HD23 LEU 38 HD23 LEU 38 0.620 -3.152 16.346 306 H GLU 39 HN GLU 39 -0.434 -8.057 14.233 307 HA GLU 39 HA GLU 39 0.012 -10.133 16.134 308 HB2 GLU 39 HB2 GLU 39 -1.973 -9.974 13.852 309 HB3 GLU 39 HB1 GLU 39 -1.983 -11.214 15.097 310 HG2 GLU 39 HG2 GLU 39 -2.336 -9.455 16.800 311 HG3 GLU 39 HG1 GLU 39 -2.415 -8.258 15.507 312 H LYS 40 HN LYS 40 0.619 -9.873 12.667 313 HA LYS 40 HA LYS 40 1.273 -12.715 12.453 314 HB2 LYS 40 HB2 LYS 40 1.407 -10.517 10.376 315 HB3 LYS 40 HB1 LYS 40 1.633 -12.233 10.063 316 HG2 LYS 40 HG2 LYS 40 -0.907 -10.941 11.065 317 HG3 LYS 40 HG1 LYS 40 -0.599 -11.486 9.414 318 HD2 LYS 40 HD2 LYS 40 -0.392 -13.790 10.190 319 HD3 LYS 40 HD1 LYS 40 -0.605 -13.268 11.862 320 HE2 LYS 40 HE2 LYS 40 -2.865 -12.474 11.322 321 HE3 LYS 40 HE1 LYS 40 -2.652 -13.006 9.655 322 HZ1 LYS 40 HZ1 LYS 40 -3.899 -14.579 11.075 323 HZ2 LYS 40 HZ2 LYS 40 -2.503 -14.814 12.000 324 HZ3 LYS 40 HZ3 LYS 40 -2.519 -15.259 10.370 325 H TYR 41 HN TYR 41 2.924 -9.716 12.918 326 HA TYR 41 HA TYR 41 5.494 -11.144 12.912 327 HB2 TYR 41 HB2 TYR 41 4.919 -8.524 11.514 328 HB3 TYR 41 HB1 TYR 41 6.548 -9.020 11.951 329 HD1 TYR 41 HD1 TYR 41 3.688 -9.699 9.730 330 HD2 TYR 41 HD2 TYR 41 7.678 -10.799 10.745 331 HE1 TYR 41 HE1 TYR 41 3.873 -10.963 7.629 332 HE2 TYR 41 HE2 TYR 41 7.867 -12.063 8.648 333 HH TYR 41 HH TYR 41 5.532 -11.828 6.131 334 HA PRO 42 HA PRO 42 4.979 -8.830 16.861 335 HB2 PRO 42 HB2 PRO 42 6.259 -10.675 18.403 336 HB3 PRO 42 HB1 PRO 42 4.549 -10.801 17.975 337 HG2 PRO 42 HG2 PRO 42 6.915 -12.172 16.749 338 HG3 PRO 42 HG1 PRO 42 5.322 -12.837 17.158 339 HD2 PRO 42 HD2 PRO 42 6.013 -12.115 14.630 340 HD3 PRO 42 HD1 PRO 42 4.345 -12.006 15.235 341 H ILE 43 HN ILE 43 6.387 -7.298 17.473 342 HA ILE 43 HA ILE 43 8.986 -7.122 16.353 343 HB ILE 43 HB ILE 43 7.661 -5.466 18.521 344 HG12 ILE 43 HG12 ILE 43 7.603 -3.734 16.665 345 HG13 ILE 43 HG11 ILE 43 8.105 -5.003 15.555 346 HG21 ILE 43 HG21 ILE 43 10.063 -5.323 18.815 347 HG22 ILE 43 HG22 ILE 43 9.454 -3.812 18.140 348 HG23 ILE 43 HG23 ILE 43 10.280 -4.972 17.099 349 HD11 ILE 43 HD11 ILE 43 6.055 -6.229 16.016 350 HD12 ILE 43 HD12 ILE 43 5.709 -4.594 15.456 351 HD13 ILE 43 HD13 ILE 43 5.562 -4.989 17.169 352 H THR 44 HN THR 44 10.981 -7.581 17.188 353 HA THR 44 HA THR 44 11.177 -9.411 19.373 354 HB THR 44 HB THR 44 13.421 -7.936 17.955 355 HG1 THR 44 HG1 THR 44 13.191 -9.317 16.356 356 HG21 THR 44 HG21 THR 44 14.164 -9.022 20.015 357 HG22 THR 44 HG22 THR 44 14.794 -9.878 18.607 358 HG23 THR 44 HG23 THR 44 13.425 -10.539 19.501 359 H LYS 45 HN LYS 45 12.555 -9.082 21.331 360 HA LYS 45 HA LYS 45 11.718 -6.891 22.839 361 HB2 LYS 45 HB2 LYS 45 12.455 -8.868 23.959 362 HB3 LYS 45 HB1 LYS 45 14.052 -8.766 23.231 363 HG2 LYS 45 HG2 LYS 45 14.423 -6.646 24.495 364 HG3 LYS 45 HG1 LYS 45 12.888 -6.929 25.320 365 HD2 LYS 45 HD2 LYS 45 13.739 -9.004 26.256 366 HD3 LYS 45 HD1 LYS 45 15.242 -8.828 25.346 367 HE2 LYS 45 HE2 LYS 45 15.716 -6.741 26.567 368 HE3 LYS 45 HE1 LYS 45 14.238 -6.966 27.501 369 HZ1 LYS 45 HZ1 LYS 45 15.149 -9.002 28.402 370 HZ2 LYS 45 HZ2 LYS 45 16.198 -7.712 28.702 371 HZ3 LYS 45 HZ3 LYS 45 16.554 -8.822 27.478 372 H GLU 46 HN GLU 46 14.887 -7.361 21.233 373 HA GLU 46 HA GLU 46 16.066 -4.972 22.153 374 HB2 GLU 46 HB2 GLU 46 17.357 -6.824 21.152 375 HB3 GLU 46 HB1 GLU 46 16.638 -6.481 19.585 376 HG2 GLU 46 HG2 GLU 46 17.729 -4.327 19.503 377 HG3 GLU 46 HG1 GLU 46 18.352 -4.545 21.137 378 H ALA 47 HN ALA 47 14.392 -5.659 19.086 379 HA ALA 47 HA ALA 47 14.490 -3.038 18.055 380 HB1 ALA 47 HB1 ALA 47 12.760 -3.749 16.506 381 HB2 ALA 47 HB2 ALA 47 12.408 -5.157 17.508 382 HB3 ALA 47 HB3 ALA 47 13.965 -5.026 16.692 383 H LEU 48 HN LEU 48 12.243 -4.612 20.252 384 HA LEU 48 HA LEU 48 10.116 -2.775 20.131 385 HB2 LEU 48 HB2 LEU 48 9.991 -5.027 21.150 386 HB3 LEU 48 HB1 LEU 48 11.023 -4.484 22.458 387 HG LEU 48 HG LEU 48 9.227 -2.789 23.033 388 HD11 LEU 48 HD11 LEU 48 7.573 -4.478 21.156 389 HD12 LEU 48 HD12 LEU 48 8.062 -2.806 20.884 390 HD13 LEU 48 HD13 LEU 48 6.975 -3.198 22.213 391 HD21 LEU 48 HD21 LEU 48 8.486 -5.713 23.211 392 HD22 LEU 48 HD22 LEU 48 7.845 -4.416 24.220 393 HD23 LEU 48 HD23 LEU 48 9.553 -4.846 24.318 394 H GLU 49 HN GLU 49 12.896 -2.949 22.357 395 HA GLU 49 HA GLU 49 12.238 -0.549 23.757 396 HB2 GLU 49 HB2 GLU 49 13.635 -2.346 24.725 397 HB3 GLU 49 HB1 GLU 49 14.896 -1.982 23.555 398 HG2 GLU 49 HG2 GLU 49 15.134 0.263 24.506 399 HG3 GLU 49 HG1 GLU 49 13.869 -0.103 25.678 400 H GLU 50 HN GLU 50 14.538 -1.303 21.159 401 HA GLU 50 HA GLU 50 15.808 1.179 20.966 402 HB2 GLU 50 HB2 GLU 50 16.604 -0.907 19.915 403 HB3 GLU 50 HB1 GLU 50 15.273 -0.837 18.771 404 HG2 GLU 50 HG2 GLU 50 16.171 1.254 17.858 405 HG3 GLU 50 HG1 GLU 50 17.509 1.175 19.005 406 H THR 51 HN THR 51 13.090 -0.042 18.967 407 HA THR 51 HA THR 51 12.630 2.612 17.853 408 HB THR 51 HB THR 51 10.823 1.559 16.543 409 HG1 THR 51 HG1 THR 51 11.560 -0.988 17.467 410 HG21 THR 51 HG21 THR 51 12.220 0.049 15.199 411 HG22 THR 51 HG22 THR 51 13.406 -0.016 16.502 412 HG23 THR 51 HG23 THR 51 13.107 1.503 15.658 413 H ARG 52 HN ARG 52 11.758 1.078 20.649 414 HA ARG 52 HA ARG 52 10.495 1.725 22.406 415 HB2 ARG 52 HB2 ARG 52 9.800 4.228 20.872 416 HB3 ARG 52 HB1 ARG 52 9.852 4.008 22.614 417 HG2 ARG 52 HG2 ARG 52 12.412 3.406 21.997 418 HG3 ARG 52 HG1 ARG 52 12.042 4.535 20.698 419 HD2 ARG 52 HD2 ARG 52 12.956 5.812 22.481 420 HD3 ARG 52 HD1 ARG 52 11.217 6.133 22.470 421 HE ARG 52 HE ARG 52 12.103 4.006 24.227 422 HH11 ARG 52 HH11 ARG 52 11.301 7.342 23.964 423 HH12 ARG 52 HH12 ARG 52 11.006 7.504 25.659 424 HH21 ARG 52 HH21 ARG 52 11.735 4.231 26.375 425 HH22 ARG 52 HH22 ARG 52 11.268 5.767 27.016 426 H LEU 53 HN LEU 53 9.194 0.226 20.186 427 HA LEU 53 HA LEU 53 6.521 1.100 19.879 428 HB2 LEU 53 HB2 LEU 53 7.971 -1.445 19.410 429 HB3 LEU 53 HB1 LEU 53 6.230 -1.558 19.560 430 HG LEU 53 HG LEU 53 6.962 -1.380 17.212 431 HD11 LEU 53 HD11 LEU 53 4.744 -0.587 17.826 432 HD12 LEU 53 HD12 LEU 53 5.425 0.403 16.538 433 HD13 LEU 53 HD13 LEU 53 5.398 1.010 18.194 434 HD21 LEU 53 HD21 LEU 53 8.951 -0.009 17.546 435 HD22 LEU 53 HD22 LEU 53 7.945 1.365 18.001 436 HD23 LEU 53 HD23 LEU 53 7.870 0.719 16.361 437 H GLY 54 HN GLY 54 8.056 -0.227 22.633 438 HA2 GLY 54 HA2 GLY 54 5.929 -1.520 23.927 439 HA3 GLY 54 HA1 GLY 54 7.233 -0.672 24.741 440 H LYS 55 HN LYS 55 6.621 1.903 23.571 441 HA LYS 55 HA LYS 55 4.751 2.954 25.392 442 HB2 LYS 55 HB2 LYS 55 6.589 4.221 24.269 443 HB3 LYS 55 HB1 LYS 55 5.676 4.152 22.772 444 HG2 LYS 55 HG2 LYS 55 5.142 6.252 23.516 445 HG3 LYS 55 HG1 LYS 55 3.807 5.317 24.184 446 HD2 LYS 55 HD2 LYS 55 6.311 5.989 25.741 447 HD3 LYS 55 HD1 LYS 55 4.870 7.001 25.747 448 HE2 LYS 55 HE2 LYS 55 3.573 5.061 26.608 449 HE3 LYS 55 HE1 LYS 55 5.076 4.143 26.704 450 HZ1 LYS 55 HZ1 LYS 55 5.936 5.748 28.276 451 HZ2 LYS 55 HZ2 LYS 55 4.464 5.126 28.835 452 HZ3 LYS 55 HZ3 LYS 55 4.521 6.673 28.156 453 H LEU 56 HN LEU 56 4.398 1.699 22.151 454 HA LEU 56 HA LEU 56 2.036 2.886 21.304 455 HB2 LEU 56 HB2 LEU 56 3.503 1.560 19.857 456 HB3 LEU 56 HB1 LEU 56 3.034 0.098 20.703 457 HG LEU 56 HG LEU 56 0.696 0.421 19.906 458 HD11 LEU 56 HD11 LEU 56 0.286 2.021 18.071 459 HD12 LEU 56 HD12 LEU 56 1.894 2.700 18.330 460 HD13 LEU 56 HD13 LEU 56 0.672 2.816 19.597 461 HD21 LEU 56 HD21 LEU 56 2.770 0.320 17.712 462 HD22 LEU 56 HD22 LEU 56 1.108 -0.257 17.600 463 HD23 LEU 56 HD23 LEU 56 2.241 -1.044 18.697 464 H ILE 57 HN ILE 57 2.436 0.286 23.609 465 HA ILE 57 HA ILE 57 -0.012 -1.024 23.403 466 HB ILE 57 HB ILE 57 1.662 -0.505 25.871 467 HG12 ILE 57 HG12 ILE 57 1.568 -2.888 23.993 468 HG13 ILE 57 HG11 ILE 57 2.852 -1.685 24.057 469 HG21 ILE 57 HG21 ILE 57 -0.587 -1.136 26.539 470 HG22 ILE 57 HG22 ILE 57 0.536 -2.457 26.860 471 HG23 ILE 57 HG23 ILE 57 -0.538 -2.533 25.464 472 HD11 ILE 57 HD11 ILE 57 2.111 -3.582 26.278 473 HD12 ILE 57 HD12 ILE 57 3.418 -2.396 26.316 474 HD13 ILE 57 HD13 ILE 57 3.481 -3.747 25.183 475 H ASN 58 HN ASN 58 0.800 1.921 25.230 476 HA ASN 58 HA ASN 58 -1.822 2.301 26.311 477 HB2 ASN 58 HB2 ASN 58 0.192 3.357 27.285 478 HB3 ASN 58 HB1 ASN 58 0.380 4.329 25.830 479 HD21 ASN 58 HD21 ASN 58 0.175 6.268 26.897 480 HD22 ASN 58 HD22 ASN 58 -1.316 6.813 27.571 481 H ASP 59 HN ASP 59 -0.233 3.259 23.323 482 HA ASP 59 HA ASP 59 -2.025 5.354 22.612 483 HB2 ASP 59 HB2 ASP 59 0.325 5.168 21.825 484 HB3 ASP 59 HB1 ASP 59 -0.126 3.759 20.871 485 H VAL 60 HN VAL 60 -1.743 1.963 21.521 486 HA VAL 60 HA VAL 60 -3.900 2.164 19.644 487 HB VAL 60 HB VAL 60 -2.072 0.551 19.334 488 HG11 VAL 60 HG11 VAL 60 -1.929 -1.488 20.679 489 HG12 VAL 60 HG12 VAL 60 -3.225 -0.899 21.722 490 HG13 VAL 60 HG13 VAL 60 -1.680 -0.050 21.670 491 HG21 VAL 60 HG21 VAL 60 -3.426 -1.389 18.682 492 HG22 VAL 60 HG22 VAL 60 -4.211 0.126 18.237 493 HG23 VAL 60 HG23 VAL 60 -4.772 -0.776 19.645 494 H ARG 61 HN ARG 61 -3.624 1.331 23.000 495 HA ARG 61 HA ARG 61 -5.907 -0.205 23.426 496 HB2 ARG 61 HB2 ARG 61 -4.085 0.156 25.056 497 HB3 ARG 61 HB1 ARG 61 -4.628 1.811 25.285 498 HG2 ARG 61 HG2 ARG 61 -6.721 1.025 26.236 499 HG3 ARG 61 HG1 ARG 61 -6.251 -0.651 25.935 500 HD2 ARG 61 HD2 ARG 61 -4.326 -0.372 27.438 501 HD3 ARG 61 HD1 ARG 61 -4.811 1.297 27.741 502 HE ARG 61 HE ARG 61 -7.004 -0.099 28.450 503 HH11 ARG 61 HH11 ARG 61 -3.680 -0.425 29.318 504 HH12 ARG 61 HH12 ARG 61 -4.053 -1.057 30.884 505 HH21 ARG 61 HH21 ARG 61 -7.447 -0.897 30.450 506 HH22 ARG 61 HH22 ARG 61 -6.152 -1.303 31.525 507 H LYS 62 HN LYS 62 -5.581 3.295 23.136 508 HA LYS 62 HA LYS 62 -8.351 3.752 23.901 509 HB2 LYS 62 HB2 LYS 62 -6.038 5.539 23.211 510 HB3 LYS 62 HB1 LYS 62 -7.675 6.187 23.253 511 HG2 LYS 62 HG2 LYS 62 -6.394 4.720 25.556 512 HG3 LYS 62 HG1 LYS 62 -6.388 6.478 25.373 513 HD2 LYS 62 HD2 LYS 62 -8.771 6.581 25.513 514 HD3 LYS 62 HD1 LYS 62 -8.918 4.827 25.400 515 HE2 LYS 62 HE2 LYS 62 -7.589 6.296 27.678 516 HE3 LYS 62 HE1 LYS 62 -9.254 5.718 27.693 517 HZ1 LYS 62 HZ1 LYS 62 -8.418 3.459 27.379 518 HZ2 LYS 62 HZ2 LYS 62 -7.814 4.157 28.798 519 HZ3 LYS 62 HZ3 LYS 62 -6.825 4.031 27.433 520 H LYS 63 HN LYS 63 -6.481 3.680 20.896 521 HA LYS 63 HA LYS 63 -8.870 4.635 19.461 522 HB2 LYS 63 HB2 LYS 63 -5.970 4.647 18.643 523 HB3 LYS 63 HB1 LYS 63 -7.283 5.022 17.538 524 HG2 LYS 63 HG2 LYS 63 -6.876 7.143 18.183 525 HG3 LYS 63 HG1 LYS 63 -7.898 6.708 19.551 526 HD2 LYS 63 HD2 LYS 63 -5.930 7.796 20.386 527 HD3 LYS 63 HD1 LYS 63 -5.832 6.084 20.808 528 HE2 LYS 63 HE2 LYS 63 -4.336 5.689 18.924 529 HE3 LYS 63 HE1 LYS 63 -4.471 7.381 18.444 530 HZ1 LYS 63 HZ1 LYS 63 -3.454 8.020 20.525 531 HZ2 LYS 63 HZ2 LYS 63 -2.442 6.956 19.679 532 HZ3 LYS 63 HZ3 LYS 63 -3.341 6.405 21.002 533 H THR 64 HN THR 64 -7.992 1.707 20.300 534 HA THR 64 HA THR 64 -7.864 0.265 17.871 535 HB THR 64 HB THR 64 -7.366 -0.932 19.893 536 HG1 THR 64 HG1 THR 64 -9.306 -2.567 19.672 537 HG21 THR 64 HG21 THR 64 -10.228 -0.430 20.746 538 HG22 THR 64 HG22 THR 64 -8.791 0.305 21.460 539 HG23 THR 64 HG23 THR 64 -9.058 -1.432 21.605 540 H LYS 65 HN LYS 65 -9.357 -0.133 16.347 541 HA LYS 65 HA LYS 65 -11.714 1.343 16.253 542 HB2 LYS 65 HB2 LYS 65 -12.265 -0.045 14.224 543 HB3 LYS 65 HB1 LYS 65 -10.690 0.727 14.207 544 HG2 LYS 65 HG2 LYS 65 -10.156 -1.351 13.407 545 HG3 LYS 65 HG1 LYS 65 -9.861 -1.581 15.128 546 HD2 LYS 65 HD2 LYS 65 -11.051 -3.495 14.308 547 HD3 LYS 65 HD1 LYS 65 -12.150 -2.566 15.325 548 HE2 LYS 65 HE2 LYS 65 -12.100 -2.211 12.336 549 HE3 LYS 65 HE1 LYS 65 -13.040 -3.495 13.091 550 HZ1 LYS 65 HZ1 LYS 65 -14.369 -1.520 12.669 551 HZ2 LYS 65 HZ2 LYS 65 -13.352 -0.591 13.643 552 HZ3 LYS 65 HZ3 LYS 65 -14.270 -1.834 14.326 553 H ASN 66 HN ASN 66 -11.236 -1.988 17.280 554 HA ASN 66 HA ASN 66 -14.026 -1.989 18.240 555 HB2 ASN 66 HB2 ASN 66 -13.860 -3.543 16.372 556 HB3 ASN 66 HB1 ASN 66 -12.489 -4.347 17.125 557 HD21 ASN 66 HD21 ASN 66 -13.681 -6.302 17.004 558 HD22 ASN 66 HD22 ASN 66 -14.935 -6.652 18.138 559 H GLU 67 HN GLU 67 -14.011 -1.825 20.381 560 HA GLU 67 HA GLU 67 -11.785 -2.306 22.036 561 HB2 GLU 67 HB2 GLU 67 -13.599 -0.795 22.672 562 HB3 GLU 67 HB1 GLU 67 -14.722 -2.144 22.759 563 HG2 GLU 67 HG2 GLU 67 -13.507 -3.079 24.638 564 HG3 GLU 67 HG1 GLU 67 -12.294 -1.806 24.518 565 H GLU 68 HN GLU 68 -14.536 -4.345 21.190 566 HA GLU 68 HA GLU 68 -13.995 -6.471 22.982 567 HB2 GLU 68 HB2 GLU 68 -15.380 -6.572 20.285 568 HB3 GLU 68 HB1 GLU 68 -15.500 -7.784 21.557 569 HG2 GLU 68 HG2 GLU 68 -16.587 -6.186 23.025 570 HG3 GLU 68 HG1 GLU 68 -16.397 -4.914 21.822 571 H LEU 69 HN LEU 69 -12.781 -5.676 19.800 572 HA LEU 69 HA LEU 69 -11.334 -8.070 19.304 573 HB2 LEU 69 HB2 LEU 69 -12.012 -6.363 17.598 574 HB3 LEU 69 HB1 LEU 69 -10.784 -5.292 18.235 575 HG LEU 69 HG LEU 69 -10.022 -8.011 17.181 576 HD11 LEU 69 HD11 LEU 69 -9.651 -7.027 14.976 577 HD12 LEU 69 HD12 LEU 69 -10.359 -5.506 15.521 578 HD13 LEU 69 HD13 LEU 69 -11.356 -6.958 15.421 579 HD21 LEU 69 HD21 LEU 69 -8.547 -5.370 17.324 580 HD22 LEU 69 HD22 LEU 69 -7.894 -6.887 16.706 581 HD23 LEU 69 HD23 LEU 69 -8.322 -6.743 18.408 582 H ALA 70 HN ALA 70 -10.630 -5.137 21.090 583 HA ALA 70 HA ALA 70 -7.866 -5.137 21.165 584 HB1 ALA 70 HB1 ALA 70 -9.289 -3.337 22.058 585 HB2 ALA 70 HB2 ALA 70 -8.029 -3.822 23.193 586 HB3 ALA 70 HB3 ALA 70 -9.692 -4.360 23.439 587 H LYS 71 HN LYS 71 -10.065 -7.190 22.997 588 HA LYS 71 HA LYS 71 -8.281 -8.228 24.882 589 HB2 LYS 71 HB2 LYS 71 -10.729 -9.370 23.559 590 HB3 LYS 71 HB1 LYS 71 -9.783 -10.336 24.683 591 HG2 LYS 71 HG2 LYS 71 -11.658 -9.305 25.821 592 HG3 LYS 71 HG1 LYS 71 -10.137 -8.661 26.435 593 HD2 LYS 71 HD2 LYS 71 -10.445 -6.673 24.950 594 HD3 LYS 71 HD1 LYS 71 -12.026 -7.309 24.492 595 HE2 LYS 71 HE2 LYS 71 -11.175 -6.589 27.302 596 HE3 LYS 71 HE1 LYS 71 -12.170 -5.585 26.250 597 HZ1 LYS 71 HZ1 LYS 71 -13.873 -7.246 26.264 598 HZ2 LYS 71 HZ2 LYS 71 -13.465 -6.887 27.865 599 HZ3 LYS 71 HZ3 LYS 71 -12.909 -8.313 27.150 600 H ARG 72 HN ARG 72 -8.741 -9.127 21.478 601 HA ARG 72 HA ARG 72 -6.957 -11.291 21.332 602 HB2 ARG 72 HB2 ARG 72 -7.650 -9.131 19.336 603 HB3 ARG 72 HB1 ARG 72 -6.570 -10.459 18.942 604 HG2 ARG 72 HG2 ARG 72 -8.332 -12.063 19.245 605 HG3 ARG 72 HG1 ARG 72 -9.422 -10.814 19.854 606 HD2 ARG 72 HD2 ARG 72 -9.746 -11.506 17.428 607 HD3 ARG 72 HD1 ARG 72 -9.591 -9.777 17.737 608 HE ARG 72 HE ARG 72 -7.055 -10.510 17.159 609 HH11 ARG 72 HH11 ARG 72 -10.050 -11.023 15.517 610 HH12 ARG 72 HH12 ARG 72 -9.305 -11.011 13.958 611 HH21 ARG 72 HH21 ARG 72 -6.141 -10.445 15.141 612 HH22 ARG 72 HH22 ARG 72 -7.139 -10.699 13.747 613 H ALA 73 HN ALA 73 -6.343 -7.798 20.982 614 HA ALA 73 HA ALA 73 -3.556 -7.937 20.634 615 HB1 ALA 73 HB1 ALA 73 -5.176 -5.714 21.885 616 HB2 ALA 73 HB2 ALA 73 -4.853 -5.915 20.163 617 HB3 ALA 73 HB3 ALA 73 -3.526 -5.577 21.275 618 H LYS 74 HN LYS 74 -5.535 -7.777 23.562 619 HA LYS 74 HA LYS 74 -3.553 -7.535 25.504 620 HB2 LYS 74 HB2 LYS 74 -6.045 -7.467 25.847 621 HB3 LYS 74 HB1 LYS 74 -6.077 -9.213 25.685 622 HG2 LYS 74 HG2 LYS 74 -4.404 -7.892 27.800 623 HG3 LYS 74 HG1 LYS 74 -6.129 -8.159 28.039 624 HD2 LYS 74 HD2 LYS 74 -5.689 -10.604 27.487 625 HD3 LYS 74 HD1 LYS 74 -3.970 -10.225 27.626 626 HE2 LYS 74 HE2 LYS 74 -6.061 -9.886 29.782 627 HE3 LYS 74 HE1 LYS 74 -4.825 -11.141 29.715 628 HZ1 LYS 74 HZ1 LYS 74 -4.237 -9.318 31.211 629 HZ2 LYS 74 HZ2 LYS 74 -4.280 -8.229 29.923 630 HZ3 LYS 74 HZ3 LYS 74 -3.128 -9.466 29.948 631 H LYS 75 HN LYS 75 -4.742 -10.427 23.823 632 HA LYS 75 HA LYS 75 -3.061 -12.321 25.099 633 HB2 LYS 75 HB2 LYS 75 -4.306 -12.352 22.336 634 HB3 LYS 75 HB1 LYS 75 -3.530 -13.736 23.091 635 HG2 LYS 75 HG2 LYS 75 -5.957 -12.312 24.179 636 HG3 LYS 75 HG1 LYS 75 -5.991 -13.801 23.232 637 HD2 LYS 75 HD2 LYS 75 -4.581 -14.879 24.985 638 HD3 LYS 75 HD1 LYS 75 -4.723 -13.406 25.946 639 HE2 LYS 75 HE2 LYS 75 -7.038 -15.120 25.032 640 HE3 LYS 75 HE1 LYS 75 -6.328 -15.145 26.644 641 HZ1 LYS 75 HZ1 LYS 75 -7.653 -12.807 25.372 642 HZ2 LYS 75 HZ2 LYS 75 -6.965 -12.830 26.922 643 HZ3 LYS 75 HZ3 LYS 75 -8.314 -13.788 26.582 644 H LEU 76 HN LEU 76 -2.648 -10.437 22.108 645 HA LEU 76 HA LEU 76 -0.245 -11.696 21.276 646 HB2 LEU 76 HB2 LEU 76 -1.896 -10.414 19.852 647 HB3 LEU 76 HB1 LEU 76 -1.222 -8.938 20.508 648 HG LEU 76 HG LEU 76 -0.429 -9.610 18.198 649 HD11 LEU 76 HD11 LEU 76 1.894 -8.963 18.574 650 HD12 LEU 76 HD12 LEU 76 1.707 -9.253 20.302 651 HD13 LEU 76 HD13 LEU 76 0.789 -7.967 19.519 652 HD21 LEU 76 HD21 LEU 76 1.117 -11.707 19.725 653 HD22 LEU 76 HD22 LEU 76 1.288 -11.323 18.012 654 HD23 LEU 76 HD23 LEU 76 -0.218 -12.016 18.615 655 H LEU 77 HN LEU 77 -0.826 -8.664 23.029 656 HA LEU 77 HA LEU 77 1.744 -7.605 22.985 657 HB2 LEU 77 HB2 LEU 77 -0.624 -7.276 24.766 658 HB3 LEU 77 HB1 LEU 77 0.903 -6.608 25.309 659 HG LEU 77 HG LEU 77 1.014 -5.077 23.509 660 HD11 LEU 77 HD11 LEU 77 -1.288 -6.530 22.210 661 HD12 LEU 77 HD12 LEU 77 0.395 -6.565 21.685 662 HD13 LEU 77 HD13 LEU 77 -0.519 -5.059 21.611 663 HD21 LEU 77 HD21 LEU 77 -1.864 -5.256 24.405 664 HD22 LEU 77 HD22 LEU 77 -1.105 -3.847 23.663 665 HD23 LEU 77 HD23 LEU 77 -0.553 -4.416 25.236 666 H ARG 78 HN ARG 78 0.451 -10.145 25.023 667 HA ARG 78 HA ARG 78 2.326 -10.215 27.082 668 HB2 ARG 78 HB2 ARG 78 1.091 -12.605 25.692 669 HB3 ARG 78 HB1 ARG 78 1.814 -12.602 27.297 670 HG2 ARG 78 HG2 ARG 78 0.066 -11.079 28.082 671 HG3 ARG 78 HG1 ARG 78 -0.652 -11.071 26.468 672 HD2 ARG 78 HD2 ARG 78 -0.346 -13.472 28.279 673 HD3 ARG 78 HD1 ARG 78 -1.846 -12.609 27.933 674 HE ARG 78 HE ARG 78 -0.766 -13.450 25.503 675 HH11 ARG 78 HH11 ARG 78 -2.036 -14.874 28.374 676 HH12 ARG 78 HH12 ARG 78 -2.635 -16.265 27.543 677 HH21 ARG 78 HH21 ARG 78 -1.516 -15.268 24.462 678 HH22 ARG 78 HH22 ARG 78 -2.365 -16.473 25.365 679 H SER 79 HN SER 79 2.628 -11.259 23.751 680 HA SER 79 HA SER 79 4.952 -12.826 23.952 681 HB2 SER 79 HB2 SER 79 3.936 -11.166 21.630 682 HB3 SER 79 HB1 SER 79 5.221 -12.369 21.515 683 HG SER 79 HG SER 79 3.765 -13.890 21.482 684 H TRP 80 HN TRP 80 4.542 -9.371 24.010 685 HA TRP 80 HA TRP 80 7.427 -8.916 23.724 686 HB2 TRP 80 HB2 TRP 80 5.234 -6.882 24.174 687 HB3 TRP 80 HB1 TRP 80 6.901 -6.546 23.732 688 HD1 TRP 80 HD1 TRP 80 6.826 -9.016 21.450 689 HE1 TRP 80 HE1 TRP 80 5.731 -8.435 19.198 690 HE3 TRP 80 HE3 TRP 80 4.122 -4.932 22.894 691 HZ2 TRP 80 HZ2 TRP 80 3.957 -6.493 18.161 692 HZ3 TRP 80 HZ3 TRP 80 2.759 -3.762 21.217 693 HH2 TRP 80 HH2 TRP 80 2.675 -4.528 18.897 694 H GLN 81 HN GLN 81 4.959 -9.060 26.168 695 HA GLN 81 HA GLN 81 6.198 -7.512 28.185 696 HB2 GLN 81 HB2 GLN 81 4.196 -9.765 28.455 697 HB3 GLN 81 HB1 GLN 81 4.619 -8.629 29.730 698 HG2 GLN 81 HG2 GLN 81 3.339 -7.908 27.095 699 HG3 GLN 81 HG1 GLN 81 2.502 -8.061 28.639 700 HE21 GLN 81 HE21 GLN 81 4.669 -6.122 26.740 701 HE22 GLN 81 HE22 GLN 81 4.613 -4.721 27.746 702 H LYS 82 HN LYS 82 6.998 -10.620 27.028 703 HA LYS 82 HA LYS 82 7.696 -12.003 29.356 704 HB2 LYS 82 HB2 LYS 82 8.725 -13.586 27.965 705 HB3 LYS 82 HB1 LYS 82 7.451 -12.891 26.979 706 HG2 LYS 82 HG2 LYS 82 10.402 -12.272 26.812 707 HG3 LYS 82 HG1 LYS 82 9.447 -13.199 25.655 708 HD2 LYS 82 HD2 LYS 82 8.089 -11.146 25.228 709 HD3 LYS 82 HD1 LYS 82 9.187 -10.250 26.278 710 HE2 LYS 82 HE2 LYS 82 9.829 -9.894 23.985 711 HE3 LYS 82 HE1 LYS 82 11.062 -10.876 24.777 712 HZ1 LYS 82 HZ1 LYS 82 8.915 -11.884 22.987 713 HZ2 LYS 82 HZ2 LYS 82 10.069 -12.846 23.765 714 HZ3 LYS 82 HZ3 LYS 82 10.555 -11.732 22.594 715 H LEU 83 HN LEU 83 9.214 -9.232 28.212 716 HA LEU 83 HA LEU 83 11.894 -9.922 29.019 717 HB2 LEU 83 HB2 LEU 83 12.170 -7.321 28.807 718 HB3 LEU 83 HB1 LEU 83 12.032 -8.338 27.390 719 HG LEU 83 HG LEU 83 9.603 -7.730 27.259 720 HD11 LEU 83 HD11 LEU 83 8.812 -5.767 28.476 721 HD12 LEU 83 HD12 LEU 83 10.315 -5.729 29.396 722 HD13 LEU 83 HD13 LEU 83 9.212 -7.094 29.564 723 HD21 LEU 83 HD21 LEU 83 11.574 -5.448 27.126 724 HD22 LEU 83 HD22 LEU 83 9.990 -5.484 26.353 725 HD23 LEU 83 HD23 LEU 83 11.239 -6.621 25.853 726 H ILE 84 HN ILE 84 9.125 -8.468 30.594 727 HA ILE 84 HA ILE 84 10.776 -7.875 32.970 728 HB ILE 84 HB ILE 84 8.764 -6.621 33.803 729 HG12 ILE 84 HG12 ILE 84 7.787 -7.087 30.969 730 HG13 ILE 84 HG11 ILE 84 7.042 -7.696 32.442 731 HG21 ILE 84 HG21 ILE 84 9.159 -4.656 32.382 732 HG22 ILE 84 HG22 ILE 84 9.997 -5.679 31.217 733 HG23 ILE 84 HG23 ILE 84 10.659 -5.463 32.836 734 HD11 ILE 84 HD11 ILE 84 6.533 -5.408 33.125 735 HD12 ILE 84 HD12 ILE 84 5.824 -5.803 31.561 736 HD13 ILE 84 HD13 ILE 84 7.273 -4.803 31.643 737 H GLU 85 HN GLU 85 8.985 -10.385 31.846 738 HA GLU 85 HA GLU 85 8.565 -11.475 34.494 739 HB2 GLU 85 HB2 GLU 85 6.152 -11.934 34.151 740 HB3 GLU 85 HB1 GLU 85 6.509 -10.216 34.253 741 HG2 GLU 85 HG2 GLU 85 6.392 -10.060 31.800 742 HG3 GLU 85 HG1 GLU 85 5.988 -11.777 31.727 743 HA PRO 86 HA PRO 86 9.315 -15.323 32.456 744 HB2 PRO 86 HB2 PRO 86 7.312 -16.716 34.108 745 HB3 PRO 86 HB1 PRO 86 9.072 -16.872 34.109 746 HG2 PRO 86 HG2 PRO 86 7.758 -15.701 36.141 747 HG3 PRO 86 HG1 PRO 86 9.356 -15.137 35.615 748 HD2 PRO 86 HD2 PRO 86 6.643 -14.002 34.979 749 HD3 PRO 86 HD1 PRO 86 8.130 -13.154 35.464 750 H ALA 87 HN ALA 87 7.051 -13.750 31.230 751 HA ALA 87 HA ALA 87 5.120 -15.759 30.405 752 HB1 ALA 87 HB1 ALA 87 4.411 -13.455 30.840 753 HB2 ALA 87 HB2 ALA 87 4.062 -13.933 29.178 754 HB3 ALA 87 HB3 ALA 87 5.441 -12.887 29.526 755 H HIS 88 HN HIS 88 7.933 -16.184 29.635 756 HA HIS 88 HA HIS 88 7.956 -15.688 26.755 757 HB2 HIS 88 HB2 HIS 88 10.308 -16.732 26.948 758 HB3 HIS 88 HB1 HIS 88 10.043 -15.143 27.653 759 HD1 HIS 88 HD1 HIS 88 10.027 -18.772 28.837 760 HD2 HIS 88 HD2 HIS 88 10.961 -14.953 30.185 761 HE1 HIS 88 HE1 HIS 88 10.959 -19.081 31.146 762 HE2 HIS 88 HE2 HIS 88 11.687 -16.786 31.858 763 H GLN 89 HN GLN 89 6.530 -17.104 25.864 764 HA GLN 89 HA GLN 89 7.461 -19.856 25.637 765 HB2 GLN 89 HB2 GLN 89 5.917 -20.078 27.461 766 HB3 GLN 89 HB1 GLN 89 4.703 -19.120 26.629 767 HG2 GLN 89 HG2 GLN 89 4.389 -20.875 24.986 768 HG3 GLN 89 HG1 GLN 89 5.681 -21.823 25.719 769 HE21 GLN 89 HE21 GLN 89 2.421 -20.646 26.111 770 HE22 GLN 89 HE22 GLN 89 1.972 -21.742 27.366 771 H HIS 90 HN HIS 90 4.430 -18.151 24.739 772 HA HIS 90 HA HIS 90 4.910 -18.912 21.943 773 HB2 HIS 90 HB2 HIS 90 2.670 -19.344 23.060 774 HB3 HIS 90 HB1 HIS 90 2.425 -17.600 23.083 775 HD1 HIS 90 HD1 HIS 90 2.730 -20.500 20.690 776 HD2 HIS 90 HD2 HIS 90 1.599 -16.499 20.658 777 HE1 HIS 90 HE1 HIS 90 1.749 -20.099 18.421 778 HE2 HIS 90 HE2 HIS 90 1.247 -17.640 18.359 779 H GLU 91 HN GLU 91 6.726 -17.103 22.638 780 HA GLU 91 HA GLU 91 5.736 -14.530 21.579 781 HB2 GLU 91 HB2 GLU 91 7.678 -13.531 22.944 782 HB3 GLU 91 HB1 GLU 91 6.232 -14.045 23.797 783 HG2 GLU 91 HG2 GLU 91 8.050 -14.745 25.105 784 HG3 GLU 91 HG1 GLU 91 7.429 -16.195 24.325 785 H ALA 92 HN ALA 92 7.152 -16.995 20.376 786 HA ALA 92 HA ALA 92 9.290 -15.507 18.975 787 HB1 ALA 92 HB1 ALA 92 8.972 -18.502 19.260 788 HB2 ALA 92 HB2 ALA 92 10.092 -17.488 20.169 789 HB3 ALA 92 HB3 ALA 92 10.286 -17.668 18.426 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -0.694 -4.077 4.804 2 H2 MET 1 HT2 MET 1 -2.177 -3.796 4.042 3 H3 MET 1 HT3 MET 1 -0.901 -4.483 3.173 4 HA MET 1 HA MET 1 -2.323 -5.714 5.463 5 HB2 MET 1 HB2 MET 1 -3.644 -5.605 3.366 6 HB3 MET 1 HB1 MET 1 -2.356 -6.459 2.527 7 HG2 MET 1 HG2 MET 1 -2.702 -8.407 3.951 8 HG3 MET 1 HG1 MET 1 -3.968 -7.550 4.830 9 HE1 MET 1 HE1 MET 1 -6.722 -7.137 2.052 10 HE2 MET 1 HE2 MET 1 -5.431 -5.986 2.400 11 HE3 MET 1 HE3 MET 1 -6.276 -6.792 3.722 12 H THR 2 HN THR 2 -0.125 -6.521 2.724 13 HA THR 2 HA THR 2 1.226 -8.444 4.515 14 HB THR 2 HB THR 2 1.053 -8.417 1.492 15 HG1 THR 2 HG1 THR 2 0.255 -10.488 3.268 16 HG21 THR 2 HG21 THR 2 3.286 -9.158 2.139 17 HG22 THR 2 HG22 THR 2 2.334 -10.527 1.563 18 HG23 THR 2 HG23 THR 2 2.593 -10.299 3.293 19 H ALA 3 HN ALA 3 2.324 -6.796 1.531 20 HA ALA 3 HA ALA 3 4.292 -5.771 1.000 21 HB1 ALA 3 HB1 ALA 3 4.102 -4.776 3.851 22 HB2 ALA 3 HB2 ALA 3 3.361 -4.024 2.438 23 HB3 ALA 3 HB3 ALA 3 5.117 -4.084 2.584 24 H ALA 4 HN ALA 4 6.603 -5.184 2.484 25 HA ALA 4 HA ALA 4 7.468 -7.719 3.706 26 HB1 ALA 4 HB1 ALA 4 8.182 -7.797 1.370 27 HB2 ALA 4 HB2 ALA 4 9.567 -7.683 2.457 28 HB3 ALA 4 HB3 ALA 4 9.020 -6.259 1.569 29 HA PRO 5 HA PRO 5 8.942 -4.192 6.278 30 HB2 PRO 5 HB2 PRO 5 8.065 -5.062 8.655 31 HB3 PRO 5 HB1 PRO 5 6.962 -4.332 7.480 32 HG2 PRO 5 HG2 PRO 5 7.398 -7.225 8.129 33 HG3 PRO 5 HG1 PRO 5 5.881 -6.363 7.812 34 HD2 PRO 5 HD2 PRO 5 7.259 -7.897 5.950 35 HD3 PRO 5 HD1 PRO 5 6.084 -6.628 5.546 36 H ALA 6 HN ALA 6 9.532 -7.606 6.381 37 HA ALA 6 HA ALA 6 11.279 -8.891 7.028 38 HB1 ALA 6 HB1 ALA 6 12.790 -6.280 7.189 39 HB2 ALA 6 HB2 ALA 6 12.607 -7.284 5.749 40 HB3 ALA 6 HB3 ALA 6 13.503 -7.894 7.139 41 H SER 7 HN SER 7 12.127 -6.064 9.028 42 HA SER 7 HA SER 7 11.696 -7.720 11.443 43 HB2 SER 7 HB2 SER 7 13.510 -6.556 12.526 44 HB3 SER 7 HB1 SER 7 14.091 -7.120 10.961 45 HG SER 7 HG SER 7 14.742 -5.028 11.121 46 HA PRO 8 HA PRO 8 8.708 -5.039 13.296 47 HB2 PRO 8 HB2 PRO 8 10.718 -4.630 15.485 48 HB3 PRO 8 HB1 PRO 8 8.997 -5.024 15.597 49 HG2 PRO 8 HG2 PRO 8 10.800 -6.932 15.932 50 HG3 PRO 8 HG1 PRO 8 9.334 -7.253 14.985 51 HD2 PRO 8 HD2 PRO 8 12.134 -6.790 14.050 52 HD3 PRO 8 HD1 PRO 8 10.881 -7.857 13.381 53 H GLN 9 HN GLN 9 11.978 -3.757 12.953 54 HA GLN 9 HA GLN 9 11.531 -1.134 13.864 55 HB2 GLN 9 HB2 GLN 9 13.456 -1.954 11.675 56 HB3 GLN 9 HB1 GLN 9 13.566 -0.531 12.701 57 HG2 GLN 9 HG2 GLN 9 13.867 -3.399 13.577 58 HG3 GLN 9 HG1 GLN 9 15.157 -2.213 13.394 59 HE21 GLN 9 HE21 GLN 9 14.419 -3.724 15.732 60 HE22 GLN 9 HE22 GLN 9 14.050 -2.567 16.957 61 H GLN 10 HN GLN 10 11.206 -2.518 10.606 62 HA GLN 10 HA GLN 10 10.491 -0.071 9.333 63 HB2 GLN 10 HB2 GLN 10 10.111 -2.950 8.502 64 HB3 GLN 10 HB1 GLN 10 9.667 -1.586 7.484 65 HG2 GLN 10 HG2 GLN 10 11.806 -2.377 6.780 66 HG3 GLN 10 HG1 GLN 10 12.036 -0.817 7.567 67 HE21 GLN 10 HE21 GLN 10 11.507 -3.874 9.224 68 HE22 GLN 10 HE22 GLN 10 13.076 -3.953 9.943 69 H ILE 11 HN ILE 11 8.657 -2.553 10.989 70 HA ILE 11 HA ILE 11 6.064 -1.913 10.115 71 HB ILE 11 HB ILE 11 6.905 -2.986 12.823 72 HG12 ILE 11 HG12 ILE 11 6.069 -4.423 10.284 73 HG13 ILE 11 HG11 ILE 11 7.693 -4.388 10.963 74 HG21 ILE 11 HG21 ILE 11 4.623 -2.099 12.863 75 HG22 ILE 11 HG22 ILE 11 4.616 -3.859 12.979 76 HG23 ILE 11 HG23 ILE 11 4.210 -3.073 11.451 77 HD11 ILE 11 HD11 ILE 11 5.273 -5.621 12.262 78 HD12 ILE 11 HD12 ILE 11 6.912 -5.611 12.915 79 HD13 ILE 11 HD13 ILE 11 6.561 -6.488 11.426 80 H ARG 12 HN ARG 12 8.123 -0.435 12.536 81 HA ARG 12 HA ARG 12 6.311 1.065 14.020 82 HB2 ARG 12 HB2 ARG 12 8.723 0.814 14.518 83 HB3 ARG 12 HB1 ARG 12 9.105 1.839 13.143 84 HG2 ARG 12 HG2 ARG 12 7.752 3.658 14.316 85 HG3 ARG 12 HG1 ARG 12 7.796 2.609 15.739 86 HD2 ARG 12 HD2 ARG 12 10.318 2.551 15.434 87 HD3 ARG 12 HD1 ARG 12 10.115 3.867 14.280 88 HE ARG 12 HE ARG 12 9.407 4.025 17.139 89 HH11 ARG 12 HH11 ARG 12 10.447 5.520 14.207 90 HH12 ARG 12 HH12 ARG 12 10.794 7.023 14.985 91 HH21 ARG 12 HH21 ARG 12 9.893 5.951 18.112 92 HH22 ARG 12 HH22 ARG 12 10.491 7.267 17.163 93 H ASP 13 HN ASP 13 7.953 1.941 10.977 94 HA ASP 13 HA ASP 13 7.014 4.574 10.771 95 HB2 ASP 13 HB2 ASP 13 8.870 3.591 9.426 96 HB3 ASP 13 HB1 ASP 13 7.684 2.682 8.498 97 H ARG 14 HN ARG 14 5.500 1.528 9.893 98 HA ARG 14 HA ARG 14 3.481 2.459 8.176 99 HB2 ARG 14 HB2 ARG 14 3.291 0.136 10.105 100 HB3 ARG 14 HB1 ARG 14 2.307 0.383 8.672 101 HG2 ARG 14 HG2 ARG 14 5.289 -0.067 8.637 102 HG3 ARG 14 HG1 ARG 14 4.083 -1.334 8.417 103 HD2 ARG 14 HD2 ARG 14 4.728 -0.762 6.236 104 HD3 ARG 14 HD1 ARG 14 3.206 0.093 6.474 105 HE ARG 14 HE ARG 14 4.486 2.126 6.775 106 HH11 ARG 14 HH11 ARG 14 6.196 -0.554 5.441 107 HH12 ARG 14 HH12 ARG 14 7.432 0.437 4.758 108 HH21 ARG 14 HH21 ARG 14 6.076 3.377 5.894 109 HH22 ARG 14 HH22 ARG 14 7.362 2.634 5.006 110 H LEU 15 HN LEU 15 3.640 2.390 11.700 111 HA LEU 15 HA LEU 15 0.870 2.852 12.175 112 HB2 LEU 15 HB2 LEU 15 2.897 2.048 13.729 113 HB3 LEU 15 HB1 LEU 15 2.908 3.744 14.162 114 HG LEU 15 HG LEU 15 0.627 1.790 14.524 115 HD11 LEU 15 HD11 LEU 15 2.299 3.298 16.533 116 HD12 LEU 15 HD12 LEU 15 2.418 1.577 16.163 117 HD13 LEU 15 HD13 LEU 15 0.950 2.220 16.900 118 HD21 LEU 15 HD21 LEU 15 -0.328 3.920 13.903 119 HD22 LEU 15 HD22 LEU 15 0.685 4.758 15.080 120 HD23 LEU 15 HD23 LEU 15 -0.571 3.646 15.628 121 H LEU 16 HN LEU 16 3.676 5.037 12.042 122 HA LEU 16 HA LEU 16 2.500 7.300 13.154 123 HB2 LEU 16 HB2 LEU 16 4.802 6.954 11.260 124 HB3 LEU 16 HB1 LEU 16 4.291 8.552 11.767 125 HG LEU 16 HG LEU 16 4.688 7.901 14.136 126 HD11 LEU 16 HD11 LEU 16 5.867 5.388 12.953 127 HD12 LEU 16 HD12 LEU 16 4.406 5.489 13.934 128 HD13 LEU 16 HD13 LEU 16 5.971 5.887 14.641 129 HD21 LEU 16 HD21 LEU 16 7.076 7.575 12.312 130 HD22 LEU 16 HD22 LEU 16 7.126 7.994 14.028 131 HD23 LEU 16 HD23 LEU 16 6.396 9.107 12.869 132 H GLN 17 HN GLN 17 2.147 6.115 9.884 133 HA GLN 17 HA GLN 17 1.272 8.631 8.801 134 HB2 GLN 17 HB2 GLN 17 0.685 7.304 6.783 135 HB3 GLN 17 HB1 GLN 17 2.342 7.085 7.315 136 HG2 GLN 17 HG2 GLN 17 1.701 4.932 6.783 137 HG3 GLN 17 HG1 GLN 17 1.443 4.984 8.523 138 HE21 GLN 17 HE21 GLN 17 -0.059 3.331 8.490 139 HE22 GLN 17 HE22 GLN 17 -1.645 3.525 7.839 140 H ALA 18 HN ALA 18 -0.267 6.381 10.769 141 HA ALA 18 HA ALA 18 -2.942 6.821 9.646 142 HB1 ALA 18 HB1 ALA 18 -2.318 4.540 10.213 143 HB2 ALA 18 HB2 ALA 18 -3.656 5.085 11.228 144 HB3 ALA 18 HB3 ALA 18 -2.016 5.022 11.884 145 H ILE 19 HN ILE 19 -0.989 7.814 12.340 146 HA ILE 19 HA ILE 19 -3.201 9.411 13.422 147 HB ILE 19 HB ILE 19 -2.714 8.745 15.735 148 HG12 ILE 19 HG12 ILE 19 -0.914 6.620 14.529 149 HG13 ILE 19 HG11 ILE 19 -0.346 8.064 15.358 150 HG21 ILE 19 HG21 ILE 19 -4.517 7.603 14.546 151 HG22 ILE 19 HG22 ILE 19 -3.737 6.524 15.702 152 HG23 ILE 19 HG23 ILE 19 -3.381 6.378 13.979 153 HD11 ILE 19 HD11 ILE 19 -1.946 5.820 16.564 154 HD12 ILE 19 HD12 ILE 19 -1.470 7.295 17.405 155 HD13 ILE 19 HD13 ILE 19 -0.238 6.172 16.829 156 H ASP 20 HN ASP 20 -2.479 11.023 15.029 157 HA ASP 20 HA ASP 20 0.118 12.146 14.449 158 HB2 ASP 20 HB2 ASP 20 -1.989 12.985 16.464 159 HB3 ASP 20 HB1 ASP 20 -0.552 13.914 16.048 160 HA PRO 21 HA PRO 21 2.710 10.130 17.333 161 HB2 PRO 21 HB2 PRO 21 3.493 12.840 18.336 162 HB3 PRO 21 HB1 PRO 21 4.512 11.495 17.807 163 HG2 PRO 21 HG2 PRO 21 4.125 13.568 16.204 164 HG3 PRO 21 HG1 PRO 21 4.129 11.921 15.545 165 HD2 PRO 21 HD2 PRO 21 1.817 13.744 16.083 166 HD3 PRO 21 HD1 PRO 21 2.059 12.587 14.757 167 H GLN 22 HN GLN 22 0.517 12.536 18.670 168 HA GLN 22 HA GLN 22 0.892 11.580 21.396 169 HB2 GLN 22 HB2 GLN 22 0.434 13.996 20.830 170 HB3 GLN 22 HB1 GLN 22 -1.197 13.520 20.376 171 HG2 GLN 22 HG2 GLN 22 -1.492 12.639 22.709 172 HG3 GLN 22 HG1 GLN 22 0.065 13.361 23.108 173 HE21 GLN 22 HE21 GLN 22 -2.225 14.821 20.908 174 HE22 GLN 22 HE22 GLN 22 -2.627 16.152 21.926 175 H SER 23 HN SER 23 -0.242 9.827 19.172 176 HA SER 23 HA SER 23 -1.615 8.006 19.127 177 HB2 SER 23 HB2 SER 23 -2.269 8.817 21.974 178 HB3 SER 23 HB1 SER 23 -2.718 7.280 21.232 179 HG SER 23 HG SER 23 -0.497 6.821 20.985 180 H ASN 24 HN ASN 24 -2.665 10.650 18.269 181 HA ASN 24 HA ASN 24 -5.542 10.169 18.734 182 HB2 ASN 24 HB2 ASN 24 -5.827 12.584 17.896 183 HB3 ASN 24 HB1 ASN 24 -5.201 12.334 19.515 184 HD21 ASN 24 HD21 ASN 24 -2.594 11.946 19.226 185 HD22 ASN 24 HD22 ASN 24 -1.837 13.280 18.429 186 H ILE 25 HN ILE 25 -6.962 9.996 17.042 187 HA ILE 25 HA ILE 25 -5.840 8.637 14.808 188 HB ILE 25 HB ILE 25 -8.709 9.431 15.356 189 HG12 ILE 25 HG12 ILE 25 -7.661 7.911 17.041 190 HG13 ILE 25 HG11 ILE 25 -9.009 7.176 16.181 191 HG21 ILE 25 HG21 ILE 25 -7.605 7.481 13.328 192 HG22 ILE 25 HG22 ILE 25 -8.409 9.011 12.985 193 HG23 ILE 25 HG23 ILE 25 -9.313 7.687 13.718 194 HD11 ILE 25 HD11 ILE 25 -6.087 6.704 15.636 195 HD12 ILE 25 HD12 ILE 25 -7.428 5.966 14.757 196 HD13 ILE 25 HD13 ILE 25 -7.190 5.610 16.468 197 H ARG 26 HN ARG 26 -5.339 9.337 12.814 198 HA ARG 26 HA ARG 26 -6.665 11.776 11.787 199 HB2 ARG 26 HB2 ARG 26 -4.241 10.361 10.641 200 HB3 ARG 26 HB1 ARG 26 -4.893 11.914 10.132 201 HG2 ARG 26 HG2 ARG 26 -4.320 12.839 12.356 202 HG3 ARG 26 HG1 ARG 26 -3.580 11.290 12.775 203 HD2 ARG 26 HD2 ARG 26 -1.861 12.817 12.049 204 HD3 ARG 26 HD1 ARG 26 -2.050 11.547 10.839 205 HE ARG 26 HE ARG 26 -3.573 13.950 10.344 206 HH11 ARG 26 HH11 ARG 26 -0.602 12.298 9.778 207 HH12 ARG 26 HH12 ARG 26 -0.234 13.243 8.379 208 HH21 ARG 26 HH21 ARG 26 -3.082 15.149 8.567 209 HH22 ARG 26 HH22 ARG 26 -1.620 14.837 7.696 210 H ASN 27 HN ASN 27 -5.732 8.464 10.933 211 HA ASN 27 HA ASN 27 -8.087 8.245 9.185 212 HB2 ASN 27 HB2 ASN 27 -5.228 7.610 8.455 213 HB3 ASN 27 HB1 ASN 27 -6.579 6.860 7.617 214 HD21 ASN 27 HD21 ASN 27 -4.503 8.737 6.683 215 HD22 ASN 27 HD22 ASN 27 -5.367 10.071 6.007 216 H MET 28 HN MET 28 -9.292 6.722 10.219 217 HA MET 28 HA MET 28 -8.266 4.635 11.828 218 HB2 MET 28 HB2 MET 28 -10.616 5.488 11.930 219 HB3 MET 28 HB1 MET 28 -10.936 4.697 10.393 220 HG2 MET 28 HG2 MET 28 -10.331 2.521 11.473 221 HG3 MET 28 HG1 MET 28 -10.243 3.377 13.012 222 HE1 MET 28 HE1 MET 28 -12.544 2.150 10.094 223 HE2 MET 28 HE2 MET 28 -12.757 3.898 10.009 224 HE3 MET 28 HE3 MET 28 -14.095 2.871 10.520 225 H VAL 29 HN VAL 29 -9.276 4.718 8.427 226 HA VAL 29 HA VAL 29 -8.922 2.034 7.751 227 HB VAL 29 HB VAL 29 -9.955 3.596 6.208 228 HG11 VAL 29 HG11 VAL 29 -7.230 4.864 5.903 229 HG12 VAL 29 HG12 VAL 29 -8.619 5.581 6.719 230 HG13 VAL 29 HG13 VAL 29 -8.677 5.281 4.982 231 HG21 VAL 29 HG21 VAL 29 -8.841 2.948 4.117 232 HG22 VAL 29 HG22 VAL 29 -8.954 1.592 5.238 233 HG23 VAL 29 HG23 VAL 29 -7.420 2.437 5.030 234 H ALA 30 HN ALA 30 -6.537 4.628 7.982 235 HA ALA 30 HA ALA 30 -4.351 3.145 6.927 236 HB1 ALA 30 HB1 ALA 30 -2.960 4.960 7.798 237 HB2 ALA 30 HB2 ALA 30 -4.341 5.589 8.697 238 HB3 ALA 30 HB3 ALA 30 -4.365 5.581 6.933 239 H VAL 31 HN VAL 31 -5.694 3.512 10.168 240 HA VAL 31 HA VAL 31 -3.617 2.435 11.699 241 HB VAL 31 HB VAL 31 -6.616 2.274 12.079 242 HG11 VAL 31 HG11 VAL 31 -5.626 0.389 13.260 243 HG12 VAL 31 HG12 VAL 31 -6.181 1.609 14.406 244 HG13 VAL 31 HG13 VAL 31 -4.461 1.463 14.038 245 HG21 VAL 31 HG21 VAL 31 -6.197 3.974 13.811 246 HG22 VAL 31 HG22 VAL 31 -5.688 4.513 12.212 247 HG23 VAL 31 HG23 VAL 31 -4.486 3.970 13.383 248 H LEU 32 HN LEU 32 -6.332 0.738 10.132 249 HA LEU 32 HA LEU 32 -5.712 -1.854 10.925 250 HB2 LEU 32 HB2 LEU 32 -6.991 -0.950 8.338 251 HB3 LEU 32 HB1 LEU 32 -7.029 -2.590 8.967 252 HG LEU 32 HG LEU 32 -8.263 -0.171 10.306 253 HD11 LEU 32 HD11 LEU 32 -10.403 -1.170 9.742 254 HD12 LEU 32 HD12 LEU 32 -9.589 -2.502 8.922 255 HD13 LEU 32 HD13 LEU 32 -9.464 -0.864 8.281 256 HD21 LEU 32 HD21 LEU 32 -8.331 -3.091 11.080 257 HD22 LEU 32 HD22 LEU 32 -9.251 -1.800 11.856 258 HD23 LEU 32 HD23 LEU 32 -7.490 -1.801 11.944 259 H GLU 33 HN GLU 33 -4.264 0.083 8.397 260 HA GLU 33 HA GLU 33 -2.987 -1.881 6.878 261 HB2 GLU 33 HB2 GLU 33 -2.043 0.918 7.549 262 HB3 GLU 33 HB1 GLU 33 -1.351 -0.096 6.289 263 HG2 GLU 33 HG2 GLU 33 -4.207 0.866 6.372 264 HG3 GLU 33 HG1 GLU 33 -2.914 1.585 5.412 265 H VAL 34 HN VAL 34 -1.765 -0.163 9.775 266 HA VAL 34 HA VAL 34 0.648 -1.736 9.820 267 HB VAL 34 HB VAL 34 0.739 0.533 10.672 268 HG11 VAL 34 HG11 VAL 34 -1.525 0.768 11.525 269 HG12 VAL 34 HG12 VAL 34 -0.350 1.185 12.772 270 HG13 VAL 34 HG13 VAL 34 -1.175 -0.373 12.824 271 HG21 VAL 34 HG21 VAL 34 1.174 -1.488 12.879 272 HG22 VAL 34 HG22 VAL 34 1.876 0.129 12.811 273 HG23 VAL 34 HG23 VAL 34 2.320 -1.074 11.602 274 H ILE 35 HN ILE 35 -2.447 -1.822 11.553 275 HA ILE 35 HA ILE 35 -1.838 -3.704 13.522 276 HB ILE 35 HB ILE 35 -4.374 -2.932 12.131 277 HG12 ILE 35 HG12 ILE 35 -5.074 -2.300 14.384 278 HG13 ILE 35 HG11 ILE 35 -3.639 -3.036 15.074 279 HG21 ILE 35 HG21 ILE 35 -4.661 -5.327 12.296 280 HG22 ILE 35 HG22 ILE 35 -5.678 -4.531 13.495 281 HG23 ILE 35 HG23 ILE 35 -4.173 -5.304 13.990 282 HD11 ILE 35 HD11 ILE 35 -2.248 -1.376 13.956 283 HD12 ILE 35 HD12 ILE 35 -3.447 -0.633 15.014 284 HD13 ILE 35 HD13 ILE 35 -3.696 -0.638 13.269 285 H SER 36 HN SER 36 -2.794 -4.263 10.143 286 HA SER 36 HA SER 36 -3.071 -7.049 10.218 287 HB2 SER 36 HB2 SER 36 -2.691 -7.009 7.790 288 HB3 SER 36 HB1 SER 36 -3.750 -5.689 8.280 289 HG SER 36 HG SER 36 -2.210 -4.252 7.848 290 H SER 37 HN SER 37 -0.160 -5.078 9.936 291 HA SER 37 HA SER 37 1.641 -7.191 9.333 292 HB2 SER 37 HB2 SER 37 2.191 -4.543 10.708 293 HB3 SER 37 HB1 SER 37 3.415 -5.617 10.031 294 HG SER 37 HG SER 37 2.181 -5.331 7.982 295 H LEU 38 HN LEU 38 0.726 -5.648 12.422 296 HA LEU 38 HA LEU 38 2.377 -7.185 14.106 297 HB2 LEU 38 HB2 LEU 38 -0.195 -5.700 14.596 298 HB3 LEU 38 HB1 LEU 38 0.565 -6.629 15.872 299 HG LEU 38 HG LEU 38 2.605 -5.227 15.645 300 HD11 LEU 38 HD11 LEU 38 2.481 -3.125 14.396 301 HD12 LEU 38 HD12 LEU 38 0.922 -3.615 13.731 302 HD13 LEU 38 HD13 LEU 38 2.379 -4.530 13.336 303 HD21 LEU 38 HD21 LEU 38 0.048 -3.712 16.178 304 HD22 LEU 38 HD22 LEU 38 1.661 -3.236 16.711 305 HD23 LEU 38 HD23 LEU 38 0.927 -4.714 17.334 306 H GLU 39 HN GLU 39 -0.761 -7.889 12.716 307 HA GLU 39 HA GLU 39 -1.572 -10.013 14.336 308 HB2 GLU 39 HB2 GLU 39 -2.055 -9.488 11.399 309 HB3 GLU 39 HB1 GLU 39 -2.856 -10.774 12.290 310 HG2 GLU 39 HG2 GLU 39 -3.022 -7.881 13.106 311 HG3 GLU 39 HG1 GLU 39 -4.152 -8.624 11.977 312 H LYS 40 HN LYS 40 0.565 -10.037 11.499 313 HA LYS 40 HA LYS 40 0.993 -12.924 11.845 314 HB2 LYS 40 HB2 LYS 40 1.914 -11.074 9.635 315 HB3 LYS 40 HB1 LYS 40 2.158 -12.816 9.679 316 HG2 LYS 40 HG2 LYS 40 -0.326 -13.092 9.716 317 HG3 LYS 40 HG1 LYS 40 -0.465 -11.348 9.464 318 HD2 LYS 40 HD2 LYS 40 0.792 -11.554 7.366 319 HD3 LYS 40 HD1 LYS 40 0.943 -13.293 7.625 320 HE2 LYS 40 HE2 LYS 40 -1.544 -13.452 7.587 321 HE3 LYS 40 HE1 LYS 40 -1.606 -11.737 7.171 322 HZ1 LYS 40 HZ1 LYS 40 -0.268 -12.264 5.187 323 HZ2 LYS 40 HZ2 LYS 40 -1.765 -13.042 5.186 324 HZ3 LYS 40 HZ3 LYS 40 -0.366 -13.909 5.569 325 H TYR 41 HN TYR 41 2.549 -9.928 12.536 326 HA TYR 41 HA TYR 41 5.050 -11.346 13.182 327 HB2 TYR 41 HB2 TYR 41 4.880 -8.672 11.762 328 HB3 TYR 41 HB1 TYR 41 6.364 -9.419 12.344 329 HD1 TYR 41 HD1 TYR 41 7.089 -11.624 11.334 330 HD2 TYR 41 HD2 TYR 41 3.976 -9.255 9.648 331 HE1 TYR 41 HE1 TYR 41 7.316 -12.844 9.213 332 HE2 TYR 41 HE2 TYR 41 4.196 -10.469 7.522 333 HH TYR 41 HH TYR 41 5.886 -11.800 6.319 334 HA PRO 42 HA PRO 42 4.164 -8.947 16.928 335 HB2 PRO 42 HB2 PRO 42 5.854 -10.787 18.366 336 HB3 PRO 42 HB1 PRO 42 4.102 -10.626 18.446 337 HG2 PRO 42 HG2 PRO 42 5.428 -12.808 17.386 338 HG3 PRO 42 HG1 PRO 42 3.756 -12.362 17.011 339 HD2 PRO 42 HD2 PRO 42 6.247 -11.903 15.420 340 HD3 PRO 42 HD1 PRO 42 4.603 -12.282 14.863 341 H ILE 43 HN ILE 43 5.439 -7.505 18.124 342 HA ILE 43 HA ILE 43 7.918 -6.791 16.820 343 HB ILE 43 HB ILE 43 6.422 -5.428 19.071 344 HG12 ILE 43 HG12 ILE 43 6.512 -4.864 16.089 345 HG13 ILE 43 HG11 ILE 43 5.147 -5.552 16.962 346 HG21 ILE 43 HG21 ILE 43 7.790 -3.467 18.540 347 HG22 ILE 43 HG22 ILE 43 8.696 -4.416 17.359 348 HG23 ILE 43 HG23 ILE 43 8.785 -4.821 19.075 349 HD11 ILE 43 HD11 ILE 43 4.811 -3.198 16.473 350 HD12 ILE 43 HD12 ILE 43 6.277 -2.791 17.363 351 HD13 ILE 43 HD13 ILE 43 4.893 -3.480 18.212 352 H THR 44 HN THR 44 9.919 -7.199 17.527 353 HA THR 44 HA THR 44 10.354 -8.882 19.798 354 HB THR 44 HB THR 44 12.440 -7.468 18.108 355 HG1 THR 44 HG1 THR 44 12.392 -9.406 16.851 356 HG21 THR 44 HG21 THR 44 13.894 -9.339 18.734 357 HG22 THR 44 HG22 THR 44 12.603 -10.028 19.718 358 HG23 THR 44 HG23 THR 44 13.328 -8.485 20.171 359 H LYS 45 HN LYS 45 11.857 -8.440 21.556 360 HA LYS 45 HA LYS 45 11.241 -6.198 23.069 361 HB2 LYS 45 HB2 LYS 45 12.072 -8.191 24.117 362 HB3 LYS 45 HB1 LYS 45 13.590 -8.092 23.237 363 HG2 LYS 45 HG2 LYS 45 14.205 -6.088 24.488 364 HG3 LYS 45 HG1 LYS 45 12.659 -6.134 25.341 365 HD2 LYS 45 HD2 LYS 45 13.253 -8.300 26.316 366 HD3 LYS 45 HD1 LYS 45 14.788 -8.282 25.445 367 HE2 LYS 45 HE2 LYS 45 13.948 -6.206 27.473 368 HE3 LYS 45 HE1 LYS 45 14.961 -7.601 27.838 369 HZ1 LYS 45 HZ1 LYS 45 15.651 -5.529 25.828 370 HZ2 LYS 45 HZ2 LYS 45 16.643 -6.784 26.375 371 HZ3 LYS 45 HZ3 LYS 45 16.210 -5.531 27.421 372 H GLU 46 HN GLU 46 14.063 -6.726 20.976 373 HA GLU 46 HA GLU 46 15.567 -4.493 21.699 374 HB2 GLU 46 HB2 GLU 46 16.433 -6.292 20.265 375 HB3 GLU 46 HB1 GLU 46 15.348 -5.797 18.973 376 HG2 GLU 46 HG2 GLU 46 17.569 -4.997 18.508 377 HG3 GLU 46 HG1 GLU 46 16.515 -3.628 18.848 378 H ALA 47 HN ALA 47 12.839 -4.744 19.447 379 HA ALA 47 HA ALA 47 13.122 -2.160 18.310 380 HB1 ALA 47 HB1 ALA 47 10.856 -2.474 17.466 381 HB2 ALA 47 HB2 ALA 47 10.641 -3.857 18.539 382 HB3 ALA 47 HB3 ALA 47 11.828 -3.929 17.237 383 H LEU 48 HN LEU 48 11.267 -3.335 21.098 384 HA LEU 48 HA LEU 48 9.886 -0.959 21.698 385 HB2 LEU 48 HB2 LEU 48 10.829 -3.243 23.426 386 HB3 LEU 48 HB1 LEU 48 9.985 -1.869 24.113 387 HG LEU 48 HG LEU 48 8.035 -2.369 22.649 388 HD11 LEU 48 HD11 LEU 48 9.611 -4.830 21.912 389 HD12 LEU 48 HD12 LEU 48 9.126 -3.522 20.832 390 HD13 LEU 48 HD13 LEU 48 7.904 -4.568 21.555 391 HD21 LEU 48 HD21 LEU 48 8.082 -3.176 24.945 392 HD22 LEU 48 HD22 LEU 48 8.924 -4.639 24.432 393 HD23 LEU 48 HD23 LEU 48 7.272 -4.336 23.894 394 H GLU 49 HN GLU 49 13.070 -2.108 22.739 395 HA GLU 49 HA GLU 49 13.696 0.198 24.309 396 HB2 GLU 49 HB2 GLU 49 15.554 -1.867 23.105 397 HB3 GLU 49 HB1 GLU 49 15.946 -0.752 24.411 398 HG2 GLU 49 HG2 GLU 49 14.349 -1.825 25.869 399 HG3 GLU 49 HG1 GLU 49 13.806 -2.872 24.558 400 H GLU 50 HN GLU 50 14.531 -0.808 21.015 401 HA GLU 50 HA GLU 50 16.521 1.159 20.551 402 HB2 GLU 50 HB2 GLU 50 16.309 -1.025 19.358 403 HB3 GLU 50 HB1 GLU 50 14.885 -0.407 18.541 404 HG2 GLU 50 HG2 GLU 50 16.492 -0.090 16.946 405 HG3 GLU 50 HG1 GLU 50 16.490 1.484 17.739 406 H THR 51 HN THR 51 13.218 0.878 19.228 407 HA THR 51 HA THR 51 13.321 3.733 18.488 408 HB THR 51 HB THR 51 11.556 3.064 16.750 409 HG1 THR 51 HG1 THR 51 12.493 0.566 16.435 410 HG21 THR 51 HG21 THR 51 14.375 2.002 16.490 411 HG22 THR 51 HG22 THR 51 13.845 3.648 16.138 412 HG23 THR 51 HG23 THR 51 13.267 2.305 15.151 413 H ARG 52 HN ARG 52 12.150 2.009 20.859 414 HA ARG 52 HA ARG 52 10.644 2.430 22.483 415 HB2 ARG 52 HB2 ARG 52 11.232 4.814 22.004 416 HB3 ARG 52 HB1 ARG 52 9.848 4.895 20.922 417 HG2 ARG 52 HG2 ARG 52 8.347 4.402 22.794 418 HG3 ARG 52 HG1 ARG 52 9.732 4.294 23.879 419 HD2 ARG 52 HD2 ARG 52 10.242 6.633 23.527 420 HD3 ARG 52 HD1 ARG 52 8.963 6.767 22.319 421 HE ARG 52 HE ARG 52 7.543 5.997 24.406 422 HH11 ARG 52 HH11 ARG 52 10.095 8.311 24.304 423 HH12 ARG 52 HH12 ARG 52 9.417 9.263 25.577 424 HH21 ARG 52 HH21 ARG 52 6.697 7.218 26.032 425 HH22 ARG 52 HH22 ARG 52 7.530 8.634 26.570 426 H LEU 53 HN LEU 53 9.846 0.647 20.411 427 HA LEU 53 HA LEU 53 7.122 1.053 19.729 428 HB2 LEU 53 HB2 LEU 53 8.871 -1.369 19.874 429 HB3 LEU 53 HB1 LEU 53 7.140 -1.582 19.698 430 HG LEU 53 HG LEU 53 8.211 -1.681 17.524 431 HD11 LEU 53 HD11 LEU 53 6.935 0.041 16.343 432 HD12 LEU 53 HD12 LEU 53 6.666 0.890 17.865 433 HD13 LEU 53 HD13 LEU 53 5.976 -0.714 17.617 434 HD21 LEU 53 HD21 LEU 53 10.195 -0.355 18.014 435 HD22 LEU 53 HD22 LEU 53 9.212 1.108 18.086 436 HD23 LEU 53 HD23 LEU 53 9.378 0.229 16.565 437 H GLY 54 HN GLY 54 8.487 0.538 22.780 438 HA2 GLY 54 HA2 GLY 54 6.440 -0.810 24.146 439 HA3 GLY 54 HA1 GLY 54 7.473 0.419 24.854 440 H LYS 55 HN LYS 55 6.653 2.516 23.023 441 HA LYS 55 HA LYS 55 4.379 3.637 24.203 442 HB2 LYS 55 HB2 LYS 55 6.005 4.925 22.886 443 HB3 LYS 55 HB1 LYS 55 5.531 4.066 21.430 444 HG2 LYS 55 HG2 LYS 55 4.514 6.191 21.323 445 HG3 LYS 55 HG1 LYS 55 3.230 5.050 21.717 446 HD2 LYS 55 HD2 LYS 55 3.329 5.706 24.058 447 HD3 LYS 55 HD1 LYS 55 4.689 6.780 23.723 448 HE2 LYS 55 HE2 LYS 55 3.223 8.081 22.196 449 HE3 LYS 55 HE1 LYS 55 1.872 7.045 22.660 450 HZ1 LYS 55 HZ1 LYS 55 2.204 7.782 24.969 451 HZ2 LYS 55 HZ2 LYS 55 1.828 9.063 23.936 452 HZ3 LYS 55 HZ3 LYS 55 3.421 8.836 24.453 453 H LEU 56 HN LEU 56 4.732 1.594 21.346 454 HA LEU 56 HA LEU 56 2.123 1.753 20.343 455 HB2 LEU 56 HB2 LEU 56 4.142 0.825 19.167 456 HB3 LEU 56 HB1 LEU 56 3.986 -0.623 20.138 457 HG LEU 56 HG LEU 56 1.694 0.285 18.403 458 HD11 LEU 56 HD11 LEU 56 2.550 -1.108 16.584 459 HD12 LEU 56 HD12 LEU 56 4.032 -1.400 17.496 460 HD13 LEU 56 HD13 LEU 56 3.648 0.226 16.936 461 HD21 LEU 56 HD21 LEU 56 2.608 -2.443 19.334 462 HD22 LEU 56 HD22 LEU 56 1.169 -2.101 18.374 463 HD23 LEU 56 HD23 LEU 56 1.283 -1.508 20.028 464 H ILE 57 HN ILE 57 3.446 -0.172 22.976 465 HA ILE 57 HA ILE 57 1.485 -2.160 23.165 466 HB ILE 57 HB ILE 57 3.053 -0.835 25.395 467 HG12 ILE 57 HG12 ILE 57 3.553 -3.367 23.799 468 HG13 ILE 57 HG11 ILE 57 4.481 -1.874 23.700 469 HG21 ILE 57 HG21 ILE 57 1.105 -1.972 26.314 470 HG22 ILE 57 HG22 ILE 57 2.576 -2.853 26.717 471 HG23 ILE 57 HG23 ILE 57 1.521 -3.441 25.432 472 HD11 ILE 57 HD11 ILE 57 5.647 -3.572 24.987 473 HD12 ILE 57 HD12 ILE 57 4.289 -3.669 26.110 474 HD13 ILE 57 HD13 ILE 57 5.236 -2.184 25.996 475 H ASN 58 HN ASN 58 1.561 1.048 24.753 476 HA ASN 58 HA ASN 58 -1.102 0.856 25.783 477 HB2 ASN 58 HB2 ASN 58 0.586 2.396 26.737 478 HB3 ASN 58 HB1 ASN 58 0.572 3.327 25.243 479 HD21 ASN 58 HD21 ASN 58 -0.149 5.213 26.164 480 HD22 ASN 58 HD22 ASN 58 -1.735 5.403 26.820 481 H ASP 59 HN ASP 59 0.342 2.302 22.899 482 HA ASP 59 HA ASP 59 -1.841 3.804 22.022 483 HB2 ASP 59 HB2 ASP 59 0.517 4.039 21.247 484 HB3 ASP 59 HB1 ASP 59 0.331 2.550 20.326 485 H VAL 60 HN VAL 60 -0.932 0.461 21.175 486 HA VAL 60 HA VAL 60 -2.882 0.097 19.166 487 HB VAL 60 HB VAL 60 -0.896 -1.363 19.405 488 HG11 VAL 60 HG11 VAL 60 -2.360 -2.566 21.760 489 HG12 VAL 60 HG12 VAL 60 -0.890 -1.594 21.846 490 HG13 VAL 60 HG13 VAL 60 -0.861 -3.166 21.047 491 HG21 VAL 60 HG21 VAL 60 -3.533 -2.836 19.479 492 HG22 VAL 60 HG22 VAL 60 -2.014 -3.475 18.849 493 HG23 VAL 60 HG23 VAL 60 -2.789 -2.102 18.057 494 H ARG 61 HN ARG 61 -2.958 -0.486 22.661 495 HA ARG 61 HA ARG 61 -5.519 -1.734 22.704 496 HB2 ARG 61 HB2 ARG 61 -3.953 -1.946 24.589 497 HB3 ARG 61 HB1 ARG 61 -4.072 -0.216 24.896 498 HG2 ARG 61 HG2 ARG 61 -6.522 -0.541 25.292 499 HG3 ARG 61 HG1 ARG 61 -6.246 -2.278 25.189 500 HD2 ARG 61 HD2 ARG 61 -4.792 -2.213 27.111 501 HD3 ARG 61 HD1 ARG 61 -4.870 -0.449 27.162 502 HE ARG 61 HE ARG 61 -7.145 -2.246 27.716 503 HH11 ARG 61 HH11 ARG 61 -5.410 0.685 28.273 504 HH12 ARG 61 HH12 ARG 61 -6.616 1.310 29.344 505 HH21 ARG 61 HH21 ARG 61 -8.664 -1.430 29.097 506 HH22 ARG 61 HH22 ARG 61 -8.430 0.130 29.807 507 H LYS 62 HN LYS 62 -4.421 1.578 22.678 508 HA LYS 62 HA LYS 62 -7.006 2.681 23.395 509 HB2 LYS 62 HB2 LYS 62 -4.737 3.689 23.976 510 HB3 LYS 62 HB1 LYS 62 -4.614 4.164 22.290 511 HG2 LYS 62 HG2 LYS 62 -5.374 6.035 23.592 512 HG3 LYS 62 HG1 LYS 62 -6.689 5.491 22.545 513 HD2 LYS 62 HD2 LYS 62 -7.734 4.325 24.397 514 HD3 LYS 62 HD1 LYS 62 -6.376 4.721 25.453 515 HE2 LYS 62 HE2 LYS 62 -6.915 7.105 25.245 516 HE3 LYS 62 HE1 LYS 62 -8.271 6.707 24.188 517 HZ1 LYS 62 HZ1 LYS 62 -7.985 5.813 27.006 518 HZ2 LYS 62 HZ2 LYS 62 -9.298 5.501 25.989 519 HZ3 LYS 62 HZ3 LYS 62 -8.973 7.084 26.482 520 H LYS 63 HN LYS 63 -5.124 2.146 20.467 521 HA LYS 63 HA LYS 63 -7.123 3.473 18.775 522 HB2 LYS 63 HB2 LYS 63 -4.278 2.674 18.438 523 HB3 LYS 63 HB1 LYS 63 -5.282 2.533 17.008 524 HG2 LYS 63 HG2 LYS 63 -4.556 4.646 16.685 525 HG3 LYS 63 HG1 LYS 63 -5.947 5.021 17.697 526 HD2 LYS 63 HD2 LYS 63 -3.184 4.609 18.832 527 HD3 LYS 63 HD1 LYS 63 -3.736 6.176 18.249 528 HE2 LYS 63 HE2 LYS 63 -5.057 4.557 20.425 529 HE3 LYS 63 HE1 LYS 63 -3.988 5.935 20.679 530 HZ1 LYS 63 HZ1 LYS 63 -5.556 7.328 19.499 531 HZ2 LYS 63 HZ2 LYS 63 -6.303 6.585 20.817 532 HZ3 LYS 63 HZ3 LYS 63 -6.590 6.010 19.253 533 H THR 64 HN THR 64 -7.286 0.686 20.176 534 HA THR 64 HA THR 64 -7.116 -1.307 18.194 535 HB THR 64 HB THR 64 -7.134 -1.929 20.540 536 HG1 THR 64 HG1 THR 64 -9.258 -3.372 20.215 537 HG21 THR 64 HG21 THR 64 -10.034 -1.056 20.576 538 HG22 THR 64 HG22 THR 64 -8.702 -0.204 21.358 539 HG23 THR 64 HG23 THR 64 -9.157 -1.819 21.902 540 H LYS 65 HN LYS 65 -8.595 -2.319 16.915 541 HA LYS 65 HA LYS 65 -10.713 -0.983 15.731 542 HB2 LYS 65 HB2 LYS 65 -11.429 -3.331 14.994 543 HB3 LYS 65 HB1 LYS 65 -9.792 -2.842 14.584 544 HG2 LYS 65 HG2 LYS 65 -8.916 -4.121 16.473 545 HG3 LYS 65 HG1 LYS 65 -10.555 -4.595 16.917 546 HD2 LYS 65 HD2 LYS 65 -9.531 -6.410 15.735 547 HD3 LYS 65 HD1 LYS 65 -10.778 -5.710 14.707 548 HE2 LYS 65 HE2 LYS 65 -9.113 -4.549 13.397 549 HE3 LYS 65 HE1 LYS 65 -7.832 -5.078 14.491 550 HZ1 LYS 65 HZ1 LYS 65 -8.122 -7.316 13.808 551 HZ2 LYS 65 HZ2 LYS 65 -8.050 -6.390 12.392 552 HZ3 LYS 65 HZ3 LYS 65 -9.538 -6.952 12.955 553 H ASN 66 HN ASN 66 -11.124 -3.767 17.944 554 HA ASN 66 HA ASN 66 -13.372 -2.355 19.214 555 HB2 ASN 66 HB2 ASN 66 -14.248 -4.191 17.820 556 HB3 ASN 66 HB1 ASN 66 -13.207 -5.334 18.667 557 HD21 ASN 66 HD21 ASN 66 -15.011 -6.535 19.359 558 HD22 ASN 66 HD22 ASN 66 -16.053 -5.965 20.614 559 H GLU 67 HN GLU 67 -13.323 -2.289 21.405 560 HA GLU 67 HA GLU 67 -10.980 -2.773 22.828 561 HB2 GLU 67 HB2 GLU 67 -13.792 -2.590 23.948 562 HB3 GLU 67 HB1 GLU 67 -12.310 -2.408 24.874 563 HG2 GLU 67 HG2 GLU 67 -13.063 -0.223 24.512 564 HG3 GLU 67 HG1 GLU 67 -11.764 -0.444 23.342 565 H GLU 68 HN GLU 68 -13.847 -4.826 22.500 566 HA GLU 68 HA GLU 68 -13.129 -6.863 24.304 567 HB2 GLU 68 HB2 GLU 68 -14.740 -7.049 21.747 568 HB3 GLU 68 HB1 GLU 68 -14.680 -8.291 22.991 569 HG2 GLU 68 HG2 GLU 68 -15.754 -6.848 24.575 570 HG3 GLU 68 HG1 GLU 68 -15.662 -5.481 23.462 571 H LEU 69 HN LEU 69 -12.426 -6.482 20.845 572 HA LEU 69 HA LEU 69 -11.052 -8.955 20.586 573 HB2 LEU 69 HB2 LEU 69 -12.097 -7.452 18.753 574 HB3 LEU 69 HB1 LEU 69 -10.576 -6.580 18.796 575 HG LEU 69 HG LEU 69 -10.610 -9.562 18.361 576 HD11 LEU 69 HD11 LEU 69 -10.951 -7.458 16.227 577 HD12 LEU 69 HD12 LEU 69 -12.140 -8.669 16.703 578 HD13 LEU 69 HD13 LEU 69 -10.630 -9.168 15.941 579 HD21 LEU 69 HD21 LEU 69 -8.694 -7.370 17.546 580 HD22 LEU 69 HD22 LEU 69 -8.522 -9.078 17.143 581 HD23 LEU 69 HD23 LEU 69 -8.450 -8.560 18.825 582 H ALA 70 HN ALA 70 -10.024 -5.671 21.403 583 HA ALA 70 HA ALA 70 -7.249 -5.991 21.393 584 HB1 ALA 70 HB1 ALA 70 -8.370 -3.840 21.777 585 HB2 ALA 70 HB2 ALA 70 -7.179 -4.185 23.031 586 HB3 ALA 70 HB3 ALA 70 -8.898 -4.400 23.364 587 H LYS 71 HN LYS 71 -9.643 -6.991 23.770 588 HA LYS 71 HA LYS 71 -7.990 -7.912 25.830 589 HB2 LYS 71 HB2 LYS 71 -10.585 -7.729 25.640 590 HB3 LYS 71 HB1 LYS 71 -10.505 -9.341 24.956 591 HG2 LYS 71 HG2 LYS 71 -9.414 -8.641 27.674 592 HG3 LYS 71 HG1 LYS 71 -11.062 -9.199 27.402 593 HD2 LYS 71 HD2 LYS 71 -10.044 -11.243 26.297 594 HD3 LYS 71 HD1 LYS 71 -8.490 -10.695 26.929 595 HE2 LYS 71 HE2 LYS 71 -10.947 -11.448 28.517 596 HE3 LYS 71 HE1 LYS 71 -9.415 -12.316 28.452 597 HZ1 LYS 71 HZ1 LYS 71 -9.864 -9.623 29.621 598 HZ2 LYS 71 HZ2 LYS 71 -8.357 -10.366 29.486 599 HZ3 LYS 71 HZ3 LYS 71 -9.547 -11.049 30.473 600 H ARG 72 HN ARG 72 -8.998 -9.454 22.808 601 HA ARG 72 HA ARG 72 -7.552 -11.902 23.171 602 HB2 ARG 72 HB2 ARG 72 -8.354 -10.611 20.551 603 HB3 ARG 72 HB1 ARG 72 -7.997 -12.308 20.827 604 HG2 ARG 72 HG2 ARG 72 -10.008 -12.536 22.179 605 HG3 ARG 72 HG1 ARG 72 -10.350 -10.814 21.979 606 HD2 ARG 72 HD2 ARG 72 -10.516 -11.137 19.550 607 HD3 ARG 72 HD1 ARG 72 -10.199 -12.858 19.758 608 HE ARG 72 HE ARG 72 -12.384 -12.343 21.325 609 HH11 ARG 72 HH11 ARG 72 -11.613 -11.955 17.989 610 HH12 ARG 72 HH12 ARG 72 -13.248 -12.168 17.470 611 HH21 ARG 72 HH21 ARG 72 -14.474 -12.620 20.650 612 HH22 ARG 72 HH22 ARG 72 -14.847 -12.543 18.961 613 H ALA 73 HN ALA 73 -6.858 -8.808 21.621 614 HA ALA 73 HA ALA 73 -4.493 -9.490 20.279 615 HB1 ALA 73 HB1 ALA 73 -4.110 -7.089 20.088 616 HB2 ALA 73 HB2 ALA 73 -5.341 -6.787 21.318 617 HB3 ALA 73 HB3 ALA 73 -5.796 -7.492 19.767 618 H LYS 74 HN LYS 74 -5.016 -8.508 23.613 619 HA LYS 74 HA LYS 74 -2.477 -7.672 24.319 620 HB2 LYS 74 HB2 LYS 74 -4.440 -7.515 25.807 621 HB3 LYS 74 HB1 LYS 74 -4.359 -9.251 26.087 622 HG2 LYS 74 HG2 LYS 74 -2.328 -9.079 27.273 623 HG3 LYS 74 HG1 LYS 74 -2.030 -7.442 26.691 624 HD2 LYS 74 HD2 LYS 74 -2.717 -7.383 29.016 625 HD3 LYS 74 HD1 LYS 74 -3.957 -6.639 28.008 626 HE2 LYS 74 HE2 LYS 74 -5.296 -8.668 28.119 627 HE3 LYS 74 HE1 LYS 74 -4.035 -9.473 29.054 628 HZ1 LYS 74 HZ1 LYS 74 -4.371 -7.892 30.830 629 HZ2 LYS 74 HZ2 LYS 74 -5.835 -8.650 30.450 630 HZ3 LYS 74 HZ3 LYS 74 -5.543 -7.069 29.928 631 H LYS 75 HN LYS 75 -3.609 -10.998 23.916 632 HA LYS 75 HA LYS 75 -1.472 -12.372 25.074 633 HB2 LYS 75 HB2 LYS 75 -3.196 -13.060 22.692 634 HB3 LYS 75 HB1 LYS 75 -1.941 -14.144 23.272 635 HG2 LYS 75 HG2 LYS 75 -3.947 -14.912 24.225 636 HG3 LYS 75 HG1 LYS 75 -3.086 -14.085 25.521 637 HD2 LYS 75 HD2 LYS 75 -4.488 -12.098 25.183 638 HD3 LYS 75 HD1 LYS 75 -5.345 -12.923 23.879 639 HE2 LYS 75 HE2 LYS 75 -6.045 -14.660 25.513 640 HE3 LYS 75 HE1 LYS 75 -5.283 -13.716 26.792 641 HZ1 LYS 75 HZ1 LYS 75 -7.605 -12.948 25.122 642 HZ2 LYS 75 HZ2 LYS 75 -6.783 -11.857 26.118 643 HZ3 LYS 75 HZ3 LYS 75 -7.571 -13.193 26.796 644 H LEU 76 HN LEU 76 -1.670 -10.844 21.869 645 HA LEU 76 HA LEU 76 0.849 -11.712 20.907 646 HB2 LEU 76 HB2 LEU 76 -0.806 -9.267 20.273 647 HB3 LEU 76 HB1 LEU 76 0.723 -9.595 19.483 648 HG LEU 76 HG LEU 76 -0.222 -11.732 18.618 649 HD11 LEU 76 HD11 LEU 76 -2.650 -12.075 18.683 650 HD12 LEU 76 HD12 LEU 76 -2.809 -10.703 19.778 651 HD13 LEU 76 HD13 LEU 76 -1.929 -12.140 20.292 652 HD21 LEU 76 HD21 LEU 76 -1.653 -10.694 16.914 653 HD22 LEU 76 HD22 LEU 76 -0.201 -9.744 17.222 654 HD23 LEU 76 HD23 LEU 76 -1.748 -9.229 17.891 655 H LEU 77 HN LEU 77 -0.123 -8.929 22.860 656 HA LEU 77 HA LEU 77 2.417 -7.697 23.034 657 HB2 LEU 77 HB2 LEU 77 0.010 -7.639 24.855 658 HB3 LEU 77 HB1 LEU 77 1.468 -6.737 25.216 659 HG LEU 77 HG LEU 77 1.196 -5.434 23.145 660 HD11 LEU 77 HD11 LEU 77 0.061 -7.093 21.761 661 HD12 LEU 77 HD12 LEU 77 -0.861 -5.592 21.830 662 HD13 LEU 77 HD13 LEU 77 -1.372 -6.984 22.783 663 HD21 LEU 77 HD21 LEU 77 -1.277 -5.475 24.879 664 HD22 LEU 77 HD22 LEU 77 -0.777 -4.152 23.825 665 HD23 LEU 77 HD23 LEU 77 0.215 -4.598 25.211 666 H ARG 78 HN ARG 78 0.915 -10.318 24.840 667 HA ARG 78 HA ARG 78 2.906 -10.638 26.823 668 HB2 ARG 78 HB2 ARG 78 0.961 -12.596 25.588 669 HB3 ARG 78 HB1 ARG 78 2.070 -13.055 26.871 670 HG2 ARG 78 HG2 ARG 78 -0.046 -10.913 27.062 671 HG3 ARG 78 HG1 ARG 78 -0.157 -12.541 27.734 672 HD2 ARG 78 HD2 ARG 78 1.811 -10.384 28.512 673 HD3 ARG 78 HD1 ARG 78 0.473 -10.996 29.483 674 HE ARG 78 HE ARG 78 1.877 -13.222 29.117 675 HH11 ARG 78 HH11 ARG 78 2.920 -10.062 30.036 676 HH12 ARG 78 HH12 ARG 78 4.289 -10.655 30.909 677 HH21 ARG 78 HH21 ARG 78 3.654 -13.943 30.254 678 HH22 ARG 78 HH22 ARG 78 4.691 -12.793 31.028 679 H SER 79 HN SER 79 2.638 -11.886 23.512 680 HA SER 79 HA SER 79 4.869 -13.560 23.461 681 HB2 SER 79 HB2 SER 79 3.808 -11.789 21.237 682 HB3 SER 79 HB1 SER 79 4.961 -13.104 21.015 683 HG SER 79 HG SER 79 3.376 -14.477 21.086 684 H TRP 80 HN TRP 80 4.703 -10.065 23.387 685 HA TRP 80 HA TRP 80 7.497 -9.693 22.735 686 HB2 TRP 80 HB2 TRP 80 5.612 -7.651 23.944 687 HB3 TRP 80 HB1 TRP 80 7.082 -7.342 23.027 688 HD1 TRP 80 HD1 TRP 80 5.549 -9.903 21.039 689 HE1 TRP 80 HE1 TRP 80 4.049 -8.952 19.187 690 HE3 TRP 80 HE3 TRP 80 5.085 -5.088 22.728 691 HZ2 TRP 80 HZ2 TRP 80 2.847 -6.513 18.504 692 HZ3 TRP 80 HZ3 TRP 80 3.737 -3.510 21.398 693 HH2 TRP 80 HH2 TRP 80 2.647 -4.220 19.329 694 H GLN 81 HN GLN 81 5.487 -9.342 25.646 695 HA GLN 81 HA GLN 81 7.554 -8.763 27.480 696 HB2 GLN 81 HB2 GLN 81 4.902 -10.144 27.962 697 HB3 GLN 81 HB1 GLN 81 5.935 -9.471 29.214 698 HG2 GLN 81 HG2 GLN 81 4.652 -7.872 26.999 699 HG3 GLN 81 HG1 GLN 81 4.006 -8.037 28.631 700 HE21 GLN 81 HE21 GLN 81 6.374 -6.471 26.637 701 HE22 GLN 81 HE22 GLN 81 6.986 -5.419 27.857 702 H LYS 82 HN LYS 82 6.637 -11.685 25.940 703 HA LYS 82 HA LYS 82 7.543 -13.650 27.706 704 HB2 LYS 82 HB2 LYS 82 6.213 -14.260 25.824 705 HB3 LYS 82 HB1 LYS 82 7.323 -13.512 24.697 706 HG2 LYS 82 HG2 LYS 82 8.245 -15.850 26.321 707 HG3 LYS 82 HG1 LYS 82 7.192 -16.119 24.934 708 HD2 LYS 82 HD2 LYS 82 9.904 -14.771 24.916 709 HD3 LYS 82 HD1 LYS 82 9.516 -16.363 24.266 710 HE2 LYS 82 HE2 LYS 82 8.359 -13.756 23.270 711 HE3 LYS 82 HE1 LYS 82 9.712 -14.604 22.527 712 HZ1 LYS 82 HZ1 LYS 82 7.636 -15.075 21.390 713 HZ2 LYS 82 HZ2 LYS 82 6.952 -15.671 22.810 714 HZ3 LYS 82 HZ3 LYS 82 8.255 -16.479 22.095 715 H LEU 83 HN LEU 83 9.350 -11.365 25.854 716 HA LEU 83 HA LEU 83 11.815 -12.900 25.946 717 HB2 LEU 83 HB2 LEU 83 11.251 -10.084 25.018 718 HB3 LEU 83 HB1 LEU 83 12.817 -10.872 24.905 719 HG LEU 83 HG LEU 83 10.287 -11.764 23.500 720 HD11 LEU 83 HD11 LEU 83 11.234 -9.726 22.545 721 HD12 LEU 83 HD12 LEU 83 11.435 -11.098 21.456 722 HD13 LEU 83 HD13 LEU 83 12.805 -10.516 22.401 723 HD21 LEU 83 HD21 LEU 83 11.747 -13.371 22.347 724 HD22 LEU 83 HD22 LEU 83 11.677 -13.674 24.081 725 HD23 LEU 83 HD23 LEU 83 13.091 -12.888 23.381 726 H ILE 84 HN ILE 84 10.263 -10.447 27.891 727 HA ILE 84 HA ILE 84 12.734 -9.923 29.384 728 HB ILE 84 HB ILE 84 11.486 -8.271 30.657 729 HG12 ILE 84 HG12 ILE 84 9.058 -9.099 29.037 730 HG13 ILE 84 HG11 ILE 84 9.309 -9.464 30.740 731 HG21 ILE 84 HG21 ILE 84 10.935 -6.702 28.851 732 HG22 ILE 84 HG22 ILE 84 10.961 -8.034 27.695 733 HG23 ILE 84 HG23 ILE 84 12.438 -7.568 28.537 734 HD11 ILE 84 HD11 ILE 84 7.798 -7.614 30.505 735 HD12 ILE 84 HD12 ILE 84 8.966 -6.737 29.519 736 HD13 ILE 84 HD13 ILE 84 9.308 -7.049 31.222 737 H GLU 85 HN GLU 85 9.883 -11.860 29.588 738 HA GLU 85 HA GLU 85 10.556 -12.630 32.361 739 HB2 GLU 85 HB2 GLU 85 7.931 -12.987 30.890 740 HB3 GLU 85 HB1 GLU 85 8.251 -13.461 32.553 741 HG2 GLU 85 HG2 GLU 85 8.646 -11.079 33.108 742 HG3 GLU 85 HG1 GLU 85 8.199 -10.655 31.456 743 HA PRO 86 HA PRO 86 11.426 -16.764 30.798 744 HB2 PRO 86 HB2 PRO 86 11.207 -18.173 33.098 745 HB3 PRO 86 HB1 PRO 86 12.574 -17.100 32.775 746 HG2 PRO 86 HG2 PRO 86 10.126 -16.603 34.428 747 HG3 PRO 86 HG1 PRO 86 11.815 -16.200 34.786 748 HD2 PRO 86 HD2 PRO 86 10.013 -14.385 33.829 749 HD3 PRO 86 HD1 PRO 86 11.756 -14.283 33.511 750 H ALA 87 HN ALA 87 8.450 -15.607 31.617 751 HA ALA 87 HA ALA 87 6.999 -18.138 31.503 752 HB1 ALA 87 HB1 ALA 87 6.224 -16.389 33.040 753 HB2 ALA 87 HB2 ALA 87 4.996 -16.769 31.833 754 HB3 ALA 87 HB3 ALA 87 5.963 -15.302 31.677 755 H HIS 88 HN HIS 88 6.789 -19.038 29.529 756 HA HIS 88 HA HIS 88 6.603 -17.293 27.172 757 HB2 HIS 88 HB2 HIS 88 7.337 -20.206 27.483 758 HB3 HIS 88 HB1 HIS 88 7.050 -19.464 25.913 759 HD1 HIS 88 HD1 HIS 88 9.355 -19.411 24.944 760 HD2 HIS 88 HD2 HIS 88 9.241 -17.893 28.815 761 HE1 HIS 88 HE1 HIS 88 11.643 -18.474 25.371 762 HE2 HIS 88 HE2 HIS 88 11.551 -17.543 27.704 763 H GLN 89 HN GLN 89 4.792 -19.834 28.856 764 HA GLN 89 HA GLN 89 2.699 -20.698 28.544 765 HB2 GLN 89 HB2 GLN 89 2.273 -18.084 27.058 766 HB3 GLN 89 HB1 GLN 89 0.986 -19.186 27.527 767 HG2 GLN 89 HG2 GLN 89 1.495 -18.821 29.879 768 HG3 GLN 89 HG1 GLN 89 2.846 -17.778 29.438 769 HE21 GLN 89 HE21 GLN 89 -0.632 -18.069 29.524 770 HE22 GLN 89 HE22 GLN 89 -0.970 -16.385 29.331 771 H HIS 90 HN HIS 90 4.640 -21.641 26.849 772 HA HIS 90 HA HIS 90 4.909 -22.990 25.051 773 HB2 HIS 90 HB2 HIS 90 2.036 -22.285 24.455 774 HB3 HIS 90 HB1 HIS 90 2.988 -23.356 23.435 775 HD1 HIS 90 HD1 HIS 90 0.788 -23.403 26.304 776 HD2 HIS 90 HD2 HIS 90 3.975 -25.705 24.954 777 HE1 HIS 90 HE1 HIS 90 0.615 -25.582 27.534 778 HE2 HIS 90 HE2 HIS 90 2.633 -26.894 26.814 779 H GLU 91 HN GLU 91 4.713 -19.736 24.937 780 HA GLU 91 HA GLU 91 5.026 -19.239 22.140 781 HB2 GLU 91 HB2 GLU 91 5.401 -17.697 24.645 782 HB3 GLU 91 HB1 GLU 91 6.380 -17.173 23.287 783 HG2 GLU 91 HG2 GLU 91 3.390 -17.494 23.148 784 HG3 GLU 91 HG1 GLU 91 4.196 -15.983 23.573 785 H ALA 92 HN ALA 92 6.828 -19.227 20.871 786 HA ALA 92 HA ALA 92 9.193 -20.572 21.620 787 HB1 ALA 92 HB1 ALA 92 8.786 -18.661 19.316 788 HB2 ALA 92 HB2 ALA 92 8.425 -20.386 19.292 789 HB3 ALA 92 HB3 ALA 92 10.090 -19.838 19.476 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 4.739 2.176 -2.194 2 H2 MET 1 HT2 MET 1 3.881 1.679 -3.563 3 H3 MET 1 HT3 MET 1 5.502 1.230 -3.372 4 HA MET 1 HA MET 1 4.976 -0.116 -1.475 5 HB2 MET 1 HB2 MET 1 3.086 1.255 -0.668 6 HB3 MET 1 HB1 MET 1 2.112 0.713 -2.026 7 HG2 MET 1 HG2 MET 1 2.258 -1.595 -1.184 8 HG3 MET 1 HG1 MET 1 3.187 -1.014 0.197 9 HE1 MET 1 HE1 MET 1 -0.288 -0.857 -1.660 10 HE2 MET 1 HE2 MET 1 0.148 0.845 -1.516 11 HE3 MET 1 HE3 MET 1 -1.206 0.200 -0.588 12 H THR 2 HN THR 2 5.845 -1.621 -2.916 13 HA THR 2 HA THR 2 3.955 -2.870 -4.826 14 HB THR 2 HB THR 2 5.892 -3.655 -6.100 15 HG1 THR 2 HG1 THR 2 7.801 -2.106 -4.925 16 HG21 THR 2 HG21 THR 2 4.973 -1.476 -6.703 17 HG22 THR 2 HG22 THR 2 6.724 -1.480 -6.918 18 HG23 THR 2 HG23 THR 2 6.010 -0.688 -5.513 19 H ALA 3 HN ALA 3 6.011 -3.432 -2.091 20 HA ALA 3 HA ALA 3 5.401 -6.325 -2.214 21 HB1 ALA 3 HB1 ALA 3 7.450 -6.729 -0.953 22 HB2 ALA 3 HB2 ALA 3 7.783 -4.996 -0.914 23 HB3 ALA 3 HB3 ALA 3 7.798 -5.861 -2.450 24 H ALA 4 HN ALA 4 5.913 -7.163 0.269 25 HA ALA 4 HA ALA 4 3.970 -5.715 1.941 26 HB1 ALA 4 HB1 ALA 4 3.460 -8.063 1.490 27 HB2 ALA 4 HB2 ALA 4 3.773 -7.811 3.206 28 HB3 ALA 4 HB3 ALA 4 5.010 -8.543 2.185 29 HA PRO 5 HA PRO 5 7.238 -4.265 4.622 30 HB2 PRO 5 HB2 PRO 5 5.212 -4.279 6.783 31 HB3 PRO 5 HB1 PRO 5 6.125 -2.927 6.111 32 HG2 PRO 5 HG2 PRO 5 3.508 -3.226 5.620 33 HG3 PRO 5 HG1 PRO 5 4.614 -2.594 4.383 34 HD2 PRO 5 HD2 PRO 5 3.469 -5.355 4.673 35 HD3 PRO 5 HD1 PRO 5 3.675 -4.371 3.207 36 H ALA 6 HN ALA 6 8.783 -5.605 5.410 37 HA ALA 6 HA ALA 6 7.983 -8.071 6.789 38 HB1 ALA 6 HB1 ALA 6 10.677 -7.312 5.663 39 HB2 ALA 6 HB2 ALA 6 9.446 -8.255 4.823 40 HB3 ALA 6 HB3 ALA 6 10.202 -8.894 6.282 41 H SER 7 HN SER 7 10.036 -5.212 7.311 42 HA SER 7 HA SER 7 10.841 -6.224 9.953 43 HB2 SER 7 HB2 SER 7 12.515 -4.480 9.959 44 HB3 SER 7 HB1 SER 7 12.573 -5.300 8.402 45 HG SER 7 HG SER 7 12.618 -2.928 8.368 46 HA PRO 8 HA PRO 8 7.810 -3.969 12.297 47 HB2 PRO 8 HB2 PRO 8 10.178 -3.380 14.045 48 HB3 PRO 8 HB1 PRO 8 8.570 -3.964 14.494 49 HG2 PRO 8 HG2 PRO 8 10.611 -5.655 14.394 50 HG3 PRO 8 HG1 PRO 8 9.019 -6.141 13.776 51 HD2 PRO 8 HD2 PRO 8 11.483 -5.366 12.274 52 HD3 PRO 8 HD1 PRO 8 10.240 -6.563 11.862 53 H GLN 9 HN GLN 9 10.841 -2.435 11.352 54 HA GLN 9 HA GLN 9 10.235 0.175 12.299 55 HB2 GLN 9 HB2 GLN 9 12.147 -0.669 10.107 56 HB3 GLN 9 HB1 GLN 9 12.095 0.923 10.850 57 HG2 GLN 9 HG2 GLN 9 13.901 -0.225 11.844 58 HG3 GLN 9 HG1 GLN 9 12.615 -0.197 13.046 59 HE21 GLN 9 HE21 GLN 9 13.471 -1.999 14.129 60 HE22 GLN 9 HE22 GLN 9 13.388 -3.592 13.475 61 H GLN 10 HN GLN 10 9.887 -1.318 9.063 62 HA GLN 10 HA GLN 10 8.757 1.031 7.893 63 HB2 GLN 10 HB2 GLN 10 8.074 -0.530 6.026 64 HB3 GLN 10 HB1 GLN 10 9.792 -0.432 6.379 65 HG2 GLN 10 HG2 GLN 10 9.111 -2.537 7.919 66 HG3 GLN 10 HG1 GLN 10 7.922 -2.698 6.628 67 HE21 GLN 10 HE21 GLN 10 11.137 -1.352 6.188 68 HE22 GLN 10 HE22 GLN 10 11.748 -2.651 5.232 69 H ILE 11 HN ILE 11 7.318 -1.786 9.500 70 HA ILE 11 HA ILE 11 4.606 -1.128 9.051 71 HB ILE 11 HB ILE 11 5.939 -2.500 11.400 72 HG12 ILE 11 HG12 ILE 11 4.602 -4.475 10.485 73 HG13 ILE 11 HG11 ILE 11 4.270 -3.482 9.071 74 HG21 ILE 11 HG21 ILE 11 3.959 -1.387 12.268 75 HG22 ILE 11 HG22 ILE 11 3.706 -3.132 12.211 76 HG23 ILE 11 HG23 ILE 11 2.974 -2.095 10.986 77 HD11 ILE 11 HD11 ILE 11 6.660 -3.351 8.610 78 HD12 ILE 11 HD12 ILE 11 6.097 -5.021 8.675 79 HD13 ILE 11 HD13 ILE 11 6.989 -4.337 10.034 80 H ARG 12 HN ARG 12 6.881 -0.114 11.567 81 HA ARG 12 HA ARG 12 5.276 1.616 13.057 82 HB2 ARG 12 HB2 ARG 12 7.598 0.829 13.619 83 HB3 ARG 12 HB1 ARG 12 8.223 1.949 12.418 84 HG2 ARG 12 HG2 ARG 12 7.231 3.819 13.728 85 HG3 ARG 12 HG1 ARG 12 6.772 2.649 14.970 86 HD2 ARG 12 HD2 ARG 12 9.206 1.983 15.076 87 HD3 ARG 12 HD1 ARG 12 9.554 3.371 14.048 88 HE ARG 12 HE ARG 12 8.557 3.466 16.809 89 HH11 ARG 12 HH11 ARG 12 9.879 5.074 14.069 90 HH12 ARG 12 HH12 ARG 12 10.291 6.494 14.960 91 HH21 ARG 12 HH21 ARG 12 9.129 5.269 17.957 92 HH22 ARG 12 HH22 ARG 12 9.879 6.601 17.154 93 H ASP 13 HN ASP 13 7.099 2.178 10.078 94 HA ASP 13 HA ASP 13 6.920 4.948 9.874 95 HB2 ASP 13 HB2 ASP 13 8.368 3.767 8.400 96 HB3 ASP 13 HB1 ASP 13 7.054 2.773 7.783 97 H ARG 14 HN ARG 14 4.645 2.506 8.555 98 HA ARG 14 HA ARG 14 2.840 4.423 7.485 99 HB2 ARG 14 HB2 ARG 14 2.913 2.065 6.725 100 HB3 ARG 14 HB1 ARG 14 2.264 1.555 8.278 101 HG2 ARG 14 HG2 ARG 14 0.208 2.816 7.839 102 HG3 ARG 14 HG1 ARG 14 0.860 3.345 6.290 103 HD2 ARG 14 HD2 ARG 14 0.308 0.480 7.080 104 HD3 ARG 14 HD1 ARG 14 -0.721 1.475 6.050 105 HE ARG 14 HE ARG 14 2.053 0.909 5.260 106 HH11 ARG 14 HH11 ARG 14 -1.334 0.766 4.618 107 HH12 ARG 14 HH12 ARG 14 -1.111 0.115 3.035 108 HH21 ARG 14 HH21 ARG 14 2.321 0.070 3.229 109 HH22 ARG 14 HH22 ARG 14 0.934 -0.287 2.258 110 H LEU 15 HN LEU 15 3.155 2.938 10.632 111 HA LEU 15 HA LEU 15 0.608 3.581 11.667 112 HB2 LEU 15 HB2 LEU 15 2.106 1.918 12.666 113 HB3 LEU 15 HB1 LEU 15 3.237 3.185 13.102 114 HG LEU 15 HG LEU 15 1.595 4.136 14.664 115 HD11 LEU 15 HD11 LEU 15 -0.150 1.811 13.840 116 HD12 LEU 15 HD12 LEU 15 -0.464 3.521 13.531 117 HD13 LEU 15 HD13 LEU 15 -0.470 2.908 15.183 118 HD21 LEU 15 HD21 LEU 15 1.627 2.323 16.321 119 HD22 LEU 15 HD22 LEU 15 3.176 2.478 15.496 120 HD23 LEU 15 HD23 LEU 15 2.069 1.177 15.055 121 H LEU 16 HN LEU 16 3.721 5.324 11.940 122 HA LEU 16 HA LEU 16 2.829 7.319 13.692 123 HB2 LEU 16 HB2 LEU 16 5.147 7.051 11.846 124 HB3 LEU 16 HB1 LEU 16 4.805 8.644 12.492 125 HG LEU 16 HG LEU 16 5.054 7.823 14.773 126 HD11 LEU 16 HD11 LEU 16 5.640 5.132 13.543 127 HD12 LEU 16 HD12 LEU 16 4.219 5.556 14.497 128 HD13 LEU 16 HD13 LEU 16 5.814 5.547 15.249 129 HD21 LEU 16 HD21 LEU 16 7.047 8.623 13.618 130 HD22 LEU 16 HD22 LEU 16 7.361 6.998 13.006 131 HD23 LEU 16 HD23 LEU 16 7.452 7.322 14.738 132 H GLN 17 HN GLN 17 2.583 7.206 10.163 133 HA GLN 17 HA GLN 17 1.750 9.958 9.954 134 HB2 GLN 17 HB2 GLN 17 1.286 9.463 7.604 135 HB3 GLN 17 HB1 GLN 17 2.871 8.872 8.074 136 HG2 GLN 17 HG2 GLN 17 2.059 7.142 6.780 137 HG3 GLN 17 HG1 GLN 17 1.681 6.601 8.412 138 HE21 GLN 17 HE21 GLN 17 0.016 5.268 7.739 139 HE22 GLN 17 HE22 GLN 17 -1.484 5.865 7.127 140 H ALA 18 HN ALA 18 0.168 7.033 10.767 141 HA ALA 18 HA ALA 18 -2.481 7.933 9.943 142 HB1 ALA 18 HB1 ALA 18 -1.886 5.579 9.668 143 HB2 ALA 18 HB2 ALA 18 -3.248 5.762 10.773 144 HB3 ALA 18 HB3 ALA 18 -1.634 5.429 11.407 145 H ILE 19 HN ILE 19 -0.492 8.210 12.699 146 HA ILE 19 HA ILE 19 -2.818 8.929 14.377 147 HB ILE 19 HB ILE 19 -1.621 8.120 16.363 148 HG12 ILE 19 HG12 ILE 19 0.432 7.074 14.389 149 HG13 ILE 19 HG11 ILE 19 0.687 8.389 15.533 150 HG21 ILE 19 HG21 ILE 19 -1.852 5.708 15.939 151 HG22 ILE 19 HG22 ILE 19 -1.910 6.025 14.204 152 HG23 ILE 19 HG23 ILE 19 -3.194 6.626 15.253 153 HD11 ILE 19 HD11 ILE 19 1.700 6.337 16.319 154 HD12 ILE 19 HD12 ILE 19 0.147 5.509 16.232 155 HD13 ILE 19 HD13 ILE 19 0.383 6.821 17.387 156 H ASP 20 HN ASP 20 -2.490 10.581 15.940 157 HA ASP 20 HA ASP 20 -0.611 12.643 15.264 158 HB2 ASP 20 HB2 ASP 20 -2.510 12.356 17.610 159 HB3 ASP 20 HB1 ASP 20 -1.583 13.809 17.251 160 HA PRO 21 HA PRO 21 2.829 11.741 18.049 161 HB2 PRO 21 HB2 PRO 21 2.600 14.629 18.796 162 HB3 PRO 21 HB1 PRO 21 4.019 13.713 18.271 163 HG2 PRO 21 HG2 PRO 21 2.817 15.390 16.594 164 HG3 PRO 21 HG1 PRO 21 3.417 13.821 16.018 165 HD2 PRO 21 HD2 PRO 21 0.610 14.669 16.637 166 HD3 PRO 21 HD1 PRO 21 1.211 13.637 15.322 167 H GLN 22 HN GLN 22 -0.024 13.478 19.126 168 HA GLN 22 HA GLN 22 0.411 12.844 21.929 169 HB2 GLN 22 HB2 GLN 22 -1.925 14.120 20.488 170 HB3 GLN 22 HB1 GLN 22 -1.837 13.901 22.232 171 HG2 GLN 22 HG2 GLN 22 0.089 15.531 20.579 172 HG3 GLN 22 HG1 GLN 22 -1.246 16.177 21.534 173 HE21 GLN 22 HE21 GLN 22 -0.882 14.357 23.755 174 HE22 GLN 22 HE22 GLN 22 0.554 14.855 24.567 175 H SER 23 HN SER 23 -0.091 10.794 19.667 176 HA SER 23 HA SER 23 -0.832 8.655 19.593 177 HB2 SER 23 HB2 SER 23 -1.693 9.098 22.464 178 HB3 SER 23 HB1 SER 23 -1.468 7.540 21.672 179 HG SER 23 HG SER 23 0.332 8.989 22.948 180 H ASN 24 HN ASN 24 -2.616 10.627 18.594 181 HA ASN 24 HA ASN 24 -5.245 9.430 19.234 182 HB2 ASN 24 HB2 ASN 24 -4.770 12.077 17.846 183 HB3 ASN 24 HB1 ASN 24 -6.300 11.449 18.451 184 HD21 ASN 24 HD21 ASN 24 -3.370 13.054 19.249 185 HD22 ASN 24 HD22 ASN 24 -3.744 13.370 20.902 186 H ILE 25 HN ILE 25 -6.748 9.095 17.413 187 HA ILE 25 HA ILE 25 -5.362 7.987 15.107 188 HB ILE 25 HB ILE 25 -8.247 7.915 15.994 189 HG12 ILE 25 HG12 ILE 25 -6.636 6.433 17.163 190 HG13 ILE 25 HG11 ILE 25 -7.852 5.529 16.265 191 HG21 ILE 25 HG21 ILE 25 -7.099 6.768 13.443 192 HG22 ILE 25 HG22 ILE 25 -8.302 8.050 13.577 193 HG23 ILE 25 HG23 ILE 25 -8.704 6.411 14.085 194 HD11 ILE 25 HD11 ILE 25 -6.231 5.156 14.467 195 HD12 ILE 25 HD12 ILE 25 -5.675 4.518 16.012 196 HD13 ILE 25 HD13 ILE 25 -5.013 6.032 15.396 197 H ARG 26 HN ARG 26 -5.048 9.050 13.228 198 HA ARG 26 HA ARG 26 -6.738 11.352 12.539 199 HB2 ARG 26 HB2 ARG 26 -4.390 10.227 10.988 200 HB3 ARG 26 HB1 ARG 26 -5.166 11.785 10.750 201 HG2 ARG 26 HG2 ARG 26 -4.369 12.476 12.999 202 HG3 ARG 26 HG1 ARG 26 -3.501 10.941 13.118 203 HD2 ARG 26 HD2 ARG 26 -2.333 11.553 10.971 204 HD3 ARG 26 HD1 ARG 26 -3.062 13.151 11.106 205 HE ARG 26 HE ARG 26 -1.096 12.009 12.977 206 HH11 ARG 26 HH11 ARG 26 -2.713 14.728 11.627 207 HH12 ARG 26 HH12 ARG 26 -1.614 15.864 12.318 208 HH21 ARG 26 HH21 ARG 26 0.334 13.475 13.823 209 HH22 ARG 26 HH22 ARG 26 0.084 15.162 13.557 210 H ASN 27 HN ASN 27 -5.793 8.181 11.241 211 HA ASN 27 HA ASN 27 -8.237 8.135 9.599 212 HB2 ASN 27 HB2 ASN 27 -6.345 8.835 8.160 213 HB3 ASN 27 HB1 ASN 27 -5.480 7.364 8.595 214 HD21 ASN 27 HD21 ASN 27 -5.400 6.767 6.411 215 HD22 ASN 27 HD22 ASN 27 -6.790 6.142 5.591 216 H MET 28 HN MET 28 -9.389 6.425 10.288 217 HA MET 28 HA MET 28 -8.359 4.443 11.994 218 HB2 MET 28 HB2 MET 28 -10.731 5.133 11.958 219 HB3 MET 28 HB1 MET 28 -10.925 4.349 10.396 220 HG2 MET 28 HG2 MET 28 -10.321 2.189 11.444 221 HG3 MET 28 HG1 MET 28 -10.247 3.002 13.005 222 HE1 MET 28 HE1 MET 28 -12.787 3.559 10.031 223 HE2 MET 28 HE2 MET 28 -14.098 2.482 10.512 224 HE3 MET 28 HE3 MET 28 -12.532 1.813 10.057 225 H VAL 29 HN VAL 29 -9.359 4.120 8.557 226 HA VAL 29 HA VAL 29 -8.808 1.394 8.315 227 HB VAL 29 HB VAL 29 -10.055 2.638 6.616 228 HG11 VAL 29 HG11 VAL 29 -8.748 4.694 6.574 229 HG12 VAL 29 HG12 VAL 29 -8.892 4.019 4.951 230 HG13 VAL 29 HG13 VAL 29 -7.386 3.836 5.851 231 HG21 VAL 29 HG21 VAL 29 -9.135 1.543 4.639 232 HG22 VAL 29 HG22 VAL 29 -9.050 0.470 6.035 233 HG23 VAL 29 HG23 VAL 29 -7.598 1.295 5.468 234 H ALA 30 HN ALA 30 -6.597 4.142 8.042 235 HA ALA 30 HA ALA 30 -4.402 2.762 6.924 236 HB1 ALA 30 HB1 ALA 30 -3.058 4.665 7.642 237 HB2 ALA 30 HB2 ALA 30 -4.372 5.215 8.683 238 HB3 ALA 30 HB3 ALA 30 -4.580 5.201 6.932 239 H VAL 31 HN VAL 31 -5.161 3.495 10.353 240 HA VAL 31 HA VAL 31 -2.901 2.151 11.394 241 HB VAL 31 HB VAL 31 -4.218 3.766 12.733 242 HG11 VAL 31 HG11 VAL 31 -6.475 3.139 12.132 243 HG12 VAL 31 HG12 VAL 31 -6.270 3.026 13.880 244 HG13 VAL 31 HG13 VAL 31 -6.276 1.562 12.896 245 HG21 VAL 31 HG21 VAL 31 -4.056 2.578 14.860 246 HG22 VAL 31 HG22 VAL 31 -2.675 2.208 13.826 247 HG23 VAL 31 HG23 VAL 31 -3.981 1.036 14.006 248 H LEU 32 HN LEU 32 -6.185 1.030 10.641 249 HA LEU 32 HA LEU 32 -6.027 -1.568 11.645 250 HB2 LEU 32 HB2 LEU 32 -7.428 -0.574 9.159 251 HB3 LEU 32 HB1 LEU 32 -7.684 -2.157 9.869 252 HG LEU 32 HG LEU 32 -8.305 0.487 11.201 253 HD11 LEU 32 HD11 LEU 32 -9.836 -0.015 9.367 254 HD12 LEU 32 HD12 LEU 32 -10.644 -0.154 10.927 255 HD13 LEU 32 HD13 LEU 32 -10.154 -1.608 10.056 256 HD21 LEU 32 HD21 LEU 32 -8.789 -2.344 12.137 257 HD22 LEU 32 HD22 LEU 32 -9.393 -0.886 12.927 258 HD23 LEU 32 HD23 LEU 32 -7.658 -1.185 12.837 259 H GLU 33 HN GLU 33 -4.830 -0.292 8.539 260 HA GLU 33 HA GLU 33 -3.931 -2.742 7.459 261 HB2 GLU 33 HB2 GLU 33 -2.722 0.011 7.086 262 HB3 GLU 33 HB1 GLU 33 -2.404 -1.391 6.073 263 HG2 GLU 33 HG2 GLU 33 -4.810 -1.423 5.450 264 HG3 GLU 33 HG1 GLU 33 -5.027 0.066 6.371 265 H VAL 34 HN VAL 34 -2.411 -0.469 9.687 266 HA VAL 34 HA VAL 34 0.139 -1.655 9.838 267 HB VAL 34 HB VAL 34 -1.357 -0.154 12.005 268 HG11 VAL 34 HG11 VAL 34 0.536 -1.404 12.901 269 HG12 VAL 34 HG12 VAL 34 0.855 0.328 12.938 270 HG13 VAL 34 HG13 VAL 34 1.603 -0.678 11.697 271 HG21 VAL 34 HG21 VAL 34 0.561 0.856 9.900 272 HG22 VAL 34 HG22 VAL 34 -0.132 1.818 11.206 273 HG23 VAL 34 HG23 VAL 34 -1.178 1.150 9.954 274 H ILE 35 HN ILE 35 -2.726 -2.113 11.945 275 HA ILE 35 HA ILE 35 -1.680 -4.172 13.539 276 HB ILE 35 HB ILE 35 -4.494 -3.395 12.810 277 HG12 ILE 35 HG12 ILE 35 -4.642 -2.958 15.259 278 HG13 ILE 35 HG11 ILE 35 -2.972 -3.482 15.435 279 HG21 ILE 35 HG21 ILE 35 -4.619 -5.806 12.946 280 HG22 ILE 35 HG22 ILE 35 -5.364 -5.098 14.377 281 HG23 ILE 35 HG23 ILE 35 -3.749 -5.797 14.482 282 HD11 ILE 35 HD11 ILE 35 -3.904 -1.107 13.838 283 HD12 ILE 35 HD12 ILE 35 -2.230 -1.616 14.067 284 HD13 ILE 35 HD13 ILE 35 -3.179 -1.058 15.444 285 H SER 36 HN SER 36 -3.461 -4.364 10.471 286 HA SER 36 HA SER 36 -3.646 -7.147 10.241 287 HB2 SER 36 HB2 SER 36 -4.868 -5.682 8.733 288 HB3 SER 36 HB1 SER 36 -3.364 -5.051 8.064 289 HG SER 36 HG SER 36 -3.128 -6.806 6.888 290 H SER 37 HN SER 37 -1.040 -4.960 9.224 291 HA SER 37 HA SER 37 0.681 -6.969 8.176 292 HB2 SER 37 HB2 SER 37 1.401 -4.260 9.343 293 HB3 SER 37 HB1 SER 37 2.458 -5.263 8.347 294 HG SER 37 HG SER 37 0.015 -4.026 7.578 295 H LEU 38 HN LEU 38 0.462 -5.399 11.344 296 HA LEU 38 HA LEU 38 2.644 -6.541 12.623 297 HB2 LEU 38 HB2 LEU 38 1.288 -4.680 13.503 298 HB3 LEU 38 HB1 LEU 38 -0.034 -5.790 13.806 299 HG LEU 38 HG LEU 38 1.392 -6.994 15.452 300 HD11 LEU 38 HD11 LEU 38 3.585 -6.449 14.572 301 HD12 LEU 38 HD12 LEU 38 3.453 -5.913 16.245 302 HD13 LEU 38 HD13 LEU 38 3.334 -4.740 14.934 303 HD21 LEU 38 HD21 LEU 38 -0.182 -5.281 16.192 304 HD22 LEU 38 HD22 LEU 38 1.052 -4.037 15.974 305 HD23 LEU 38 HD23 LEU 38 1.263 -5.289 17.199 306 H GLU 39 HN GLU 39 -0.603 -7.867 12.139 307 HA GLU 39 HA GLU 39 -0.423 -10.095 13.830 308 HB2 GLU 39 HB2 GLU 39 -1.916 -9.796 11.210 309 HB3 GLU 39 HB1 GLU 39 -2.142 -11.130 12.336 310 HG2 GLU 39 HG2 GLU 39 -2.841 -9.498 14.066 311 HG3 GLU 39 HG1 GLU 39 -2.711 -8.216 12.864 312 H LYS 40 HN LYS 40 0.843 -9.593 10.579 313 HA LYS 40 HA LYS 40 1.822 -12.355 10.451 314 HB2 LYS 40 HB2 LYS 40 2.028 -10.097 8.445 315 HB3 LYS 40 HB1 LYS 40 2.591 -11.740 8.176 316 HG2 LYS 40 HG2 LYS 40 0.279 -12.552 8.411 317 HG3 LYS 40 HG1 LYS 40 -0.267 -10.890 8.627 318 HD2 LYS 40 HD2 LYS 40 -0.671 -11.445 6.353 319 HD3 LYS 40 HD1 LYS 40 0.725 -10.371 6.367 320 HE2 LYS 40 HE2 LYS 40 0.960 -13.378 6.269 321 HE3 LYS 40 HE1 LYS 40 0.857 -12.378 4.825 322 HZ1 LYS 40 HZ1 LYS 40 2.889 -11.243 5.523 323 HZ2 LYS 40 HZ2 LYS 40 3.138 -12.903 5.346 324 HZ3 LYS 40 HZ3 LYS 40 2.991 -12.237 6.891 325 H TYR 41 HN TYR 41 2.936 -9.216 11.322 326 HA TYR 41 HA TYR 41 5.712 -10.195 11.445 327 HB2 TYR 41 HB2 TYR 41 5.005 -7.382 10.570 328 HB3 TYR 41 HB1 TYR 41 6.594 -8.145 10.555 329 HD1 TYR 41 HD1 TYR 41 3.528 -7.600 8.730 330 HD2 TYR 41 HD2 TYR 41 7.020 -10.036 8.914 331 HE1 TYR 41 HE1 TYR 41 3.117 -8.352 6.428 332 HE2 TYR 41 HE2 TYR 41 6.620 -10.787 6.607 333 HH TYR 41 HH TYR 41 4.516 -9.280 4.514 334 HA PRO 42 HA PRO 42 4.525 -8.414 15.532 335 HB2 PRO 42 HB2 PRO 42 5.731 -10.289 17.055 336 HB3 PRO 42 HB1 PRO 42 4.144 -10.553 16.320 337 HG2 PRO 42 HG2 PRO 42 6.839 -11.484 15.386 338 HG3 PRO 42 HG1 PRO 42 5.315 -12.387 15.469 339 HD2 PRO 42 HD2 PRO 42 6.264 -11.276 13.164 340 HD3 PRO 42 HD1 PRO 42 4.532 -11.490 13.494 341 H ILE 43 HN ILE 43 5.764 -7.233 17.004 342 HA ILE 43 HA ILE 43 8.235 -6.230 16.062 343 HB ILE 43 HB ILE 43 7.055 -5.897 18.829 344 HG12 ILE 43 HG12 ILE 43 6.639 -4.171 16.366 345 HG13 ILE 43 HG11 ILE 43 5.459 -5.317 16.993 346 HG21 ILE 43 HG21 ILE 43 8.320 -3.775 18.830 347 HG22 ILE 43 HG22 ILE 43 9.019 -4.209 17.270 348 HG23 ILE 43 HG23 ILE 43 9.376 -5.183 18.697 349 HD11 ILE 43 HD11 ILE 43 5.295 -4.038 19.052 350 HD12 ILE 43 HD12 ILE 43 4.934 -3.041 17.643 351 HD13 ILE 43 HD13 ILE 43 6.497 -2.900 18.446 352 H THR 44 HN THR 44 10.236 -7.013 16.321 353 HA THR 44 HA THR 44 10.668 -9.375 17.916 354 HB THR 44 HB THR 44 12.770 -7.839 16.374 355 HG1 THR 44 HG1 THR 44 10.594 -9.322 15.488 356 HG21 THR 44 HG21 THR 44 13.620 -9.630 17.831 357 HG22 THR 44 HG22 THR 44 13.808 -10.055 16.129 358 HG23 THR 44 HG23 THR 44 12.506 -10.772 17.079 359 H LYS 45 HN LYS 45 12.688 -9.531 19.333 360 HA LYS 45 HA LYS 45 12.020 -8.085 21.601 361 HB2 LYS 45 HB2 LYS 45 12.935 -10.211 21.900 362 HB3 LYS 45 HB1 LYS 45 14.322 -9.873 20.886 363 HG2 LYS 45 HG2 LYS 45 14.120 -8.240 23.337 364 HG3 LYS 45 HG1 LYS 45 14.387 -9.966 23.587 365 HD2 LYS 45 HD2 LYS 45 16.336 -9.847 22.053 366 HD3 LYS 45 HD1 LYS 45 16.090 -8.104 21.915 367 HE2 LYS 45 HE2 LYS 45 16.502 -7.828 24.288 368 HE3 LYS 45 HE1 LYS 45 16.629 -9.576 24.499 369 HZ1 LYS 45 HZ1 LYS 45 18.585 -9.571 23.086 370 HZ2 LYS 45 HZ2 LYS 45 18.801 -8.520 24.392 371 HZ3 LYS 45 HZ3 LYS 45 18.458 -7.899 22.859 372 H GLU 46 HN GLU 46 15.009 -7.599 19.617 373 HA GLU 46 HA GLU 46 15.835 -5.375 21.228 374 HB2 GLU 46 HB2 GLU 46 17.577 -4.974 19.621 375 HB3 GLU 46 HB1 GLU 46 17.453 -6.703 19.894 376 HG2 GLU 46 HG2 GLU 46 16.267 -5.261 17.528 377 HG3 GLU 46 HG1 GLU 46 17.833 -6.070 17.529 378 H ALA 47 HN ALA 47 13.994 -5.714 18.263 379 HA ALA 47 HA ALA 47 13.970 -3.045 17.419 380 HB1 ALA 47 HB1 ALA 47 11.830 -5.144 17.048 381 HB2 ALA 47 HB2 ALA 47 13.234 -4.898 16.008 382 HB3 ALA 47 HB3 ALA 47 11.987 -3.655 16.117 383 H LEU 48 HN LEU 48 11.950 -4.706 19.795 384 HA LEU 48 HA LEU 48 9.913 -2.802 20.065 385 HB2 LEU 48 HB2 LEU 48 9.873 -5.093 21.007 386 HB3 LEU 48 HB1 LEU 48 11.071 -4.611 22.192 387 HG LEU 48 HG LEU 48 9.434 -2.963 23.113 388 HD11 LEU 48 HD11 LEU 48 7.528 -4.300 21.189 389 HD12 LEU 48 HD12 LEU 48 8.051 -2.615 21.159 390 HD13 LEU 48 HD13 LEU 48 7.061 -3.206 22.492 391 HD21 LEU 48 HD21 LEU 48 8.518 -5.843 23.065 392 HD22 LEU 48 HD22 LEU 48 8.033 -4.626 24.247 393 HD23 LEU 48 HD23 LEU 48 9.715 -5.146 24.158 394 H GLU 49 HN GLU 49 12.980 -3.088 21.856 395 HA GLU 49 HA GLU 49 12.578 -0.731 23.423 396 HB2 GLU 49 HB2 GLU 49 15.151 -2.200 22.795 397 HB3 GLU 49 HB1 GLU 49 14.936 -1.007 24.068 398 HG2 GLU 49 HG2 GLU 49 13.304 -2.499 25.162 399 HG3 GLU 49 HG1 GLU 49 13.589 -3.702 23.905 400 H GLU 50 HN GLU 50 14.454 -1.431 20.496 401 HA GLU 50 HA GLU 50 15.800 1.020 20.272 402 HB2 GLU 50 HB2 GLU 50 16.498 -0.965 19.059 403 HB3 GLU 50 HB1 GLU 50 14.994 -0.983 18.149 404 HG2 GLU 50 HG2 GLU 50 15.611 1.117 17.066 405 HG3 GLU 50 HG1 GLU 50 17.111 1.160 17.991 406 H THR 51 HN THR 51 12.830 -0.041 18.577 407 HA THR 51 HA THR 51 12.475 2.570 17.359 408 HB THR 51 HB THR 51 10.458 1.612 16.328 409 HG1 THR 51 HG1 THR 51 10.979 -0.921 17.394 410 HG21 THR 51 HG21 THR 51 11.529 -0.176 15.029 411 HG22 THR 51 HG22 THR 51 12.828 -0.264 16.218 412 HG23 THR 51 HG23 THR 51 12.617 1.194 15.248 413 H ARG 52 HN ARG 52 11.918 1.541 20.395 414 HA ARG 52 HA ARG 52 10.657 2.221 22.153 415 HB2 ARG 52 HB2 ARG 52 10.082 4.590 20.353 416 HB3 ARG 52 HB1 ARG 52 9.734 4.527 22.076 417 HG2 ARG 52 HG2 ARG 52 12.459 4.432 20.780 418 HG3 ARG 52 HG1 ARG 52 11.763 5.771 21.695 419 HD2 ARG 52 HD2 ARG 52 12.525 3.045 22.744 420 HD3 ARG 52 HD1 ARG 52 13.314 4.580 23.101 421 HE ARG 52 HE ARG 52 10.926 5.119 24.042 422 HH11 ARG 52 HH11 ARG 52 12.724 2.197 24.342 423 HH12 ARG 52 HH12 ARG 52 11.959 1.742 25.824 424 HH21 ARG 52 HH21 ARG 52 9.970 4.552 25.954 425 HH22 ARG 52 HH22 ARG 52 10.415 3.072 26.734 426 H LEU 53 HN LEU 53 9.371 0.585 20.013 427 HA LEU 53 HA LEU 53 6.651 1.409 19.788 428 HB2 LEU 53 HB2 LEU 53 8.027 -1.221 19.271 429 HB3 LEU 53 HB1 LEU 53 6.300 -1.005 19.042 430 HG LEU 53 HG LEU 53 8.450 0.561 17.595 431 HD11 LEU 53 HD11 LEU 53 8.396 -1.787 16.898 432 HD12 LEU 53 HD12 LEU 53 7.822 -0.713 15.623 433 HD13 LEU 53 HD13 LEU 53 6.667 -1.648 16.573 434 HD21 LEU 53 HD21 LEU 53 6.609 1.379 16.203 435 HD22 LEU 53 HD22 LEU 53 6.405 1.851 17.888 436 HD23 LEU 53 HD23 LEU 53 5.453 0.522 17.223 437 H GLY 54 HN GLY 54 8.328 0.194 22.422 438 HA2 GLY 54 HA2 GLY 54 6.412 -1.332 23.781 439 HA3 GLY 54 HA1 GLY 54 7.604 -0.305 24.554 440 H LYS 55 HN LYS 55 6.659 2.173 23.385 441 HA LYS 55 HA LYS 55 4.612 2.999 25.101 442 HB2 LYS 55 HB2 LYS 55 5.945 4.674 24.048 443 HB3 LYS 55 HB1 LYS 55 5.561 4.074 22.440 444 HG2 LYS 55 HG2 LYS 55 3.202 4.788 22.794 445 HG3 LYS 55 HG1 LYS 55 3.688 5.496 24.336 446 HD2 LYS 55 HD2 LYS 55 5.187 7.028 23.199 447 HD3 LYS 55 HD1 LYS 55 4.841 6.264 21.646 448 HE2 LYS 55 HE2 LYS 55 2.839 7.720 23.378 449 HE3 LYS 55 HE1 LYS 55 3.606 8.370 21.933 450 HZ1 LYS 55 HZ1 LYS 55 2.560 6.597 20.644 451 HZ2 LYS 55 HZ2 LYS 55 1.410 7.550 21.432 452 HZ3 LYS 55 HZ3 LYS 55 1.791 6.023 22.036 453 H LEU 56 HN LEU 56 4.479 1.755 21.802 454 HA LEU 56 HA LEU 56 1.733 2.146 21.345 455 HB2 LEU 56 HB2 LEU 56 3.761 0.307 20.102 456 HB3 LEU 56 HB1 LEU 56 2.078 0.272 19.609 457 HG LEU 56 HG LEU 56 3.340 1.635 18.061 458 HD11 LEU 56 HD11 LEU 56 1.631 3.373 19.844 459 HD12 LEU 56 HD12 LEU 56 1.047 2.323 18.553 460 HD13 LEU 56 HD13 LEU 56 2.065 3.710 18.167 461 HD21 LEU 56 HD21 LEU 56 4.485 3.682 18.748 462 HD22 LEU 56 HD22 LEU 56 5.196 2.266 19.522 463 HD23 LEU 56 HD23 LEU 56 4.124 3.327 20.438 464 H ILE 57 HN ILE 57 3.441 -0.475 22.983 465 HA ILE 57 HA ILE 57 1.404 -2.401 23.045 466 HB ILE 57 HB ILE 57 3.358 -1.740 25.270 467 HG12 ILE 57 HG12 ILE 57 3.606 -3.710 22.978 468 HG13 ILE 57 HG11 ILE 57 4.484 -2.191 23.123 469 HG21 ILE 57 HG21 ILE 57 1.557 -3.152 26.079 470 HG22 ILE 57 HG22 ILE 57 3.045 -4.091 25.958 471 HG23 ILE 57 HG23 ILE 57 1.788 -4.266 24.732 472 HD11 ILE 57 HD11 ILE 57 5.601 -3.037 25.124 473 HD12 ILE 57 HD12 ILE 57 5.879 -4.075 23.726 474 HD13 ILE 57 HD13 ILE 57 4.723 -4.560 24.967 475 H ASN 58 HN ASN 58 2.035 0.289 25.282 476 HA ASN 58 HA ASN 58 -0.345 -0.056 26.827 477 HB2 ASN 58 HB2 ASN 58 1.329 2.449 26.488 478 HB3 ASN 58 HB1 ASN 58 0.200 2.109 27.796 479 HD21 ASN 58 HD21 ASN 58 3.301 1.349 26.425 480 HD22 ASN 58 HD22 ASN 58 3.934 0.553 27.814 481 H ASP 59 HN ASP 59 0.545 1.929 24.055 482 HA ASP 59 HA ASP 59 -1.683 3.673 24.211 483 HB2 ASP 59 HB2 ASP 59 0.453 4.363 23.241 484 HB3 ASP 59 HB1 ASP 59 0.268 3.179 21.951 485 H VAL 60 HN VAL 60 -1.023 0.858 22.098 486 HA VAL 60 HA VAL 60 -3.350 1.213 20.505 487 HB VAL 60 HB VAL 60 -1.342 -0.133 19.802 488 HG11 VAL 60 HG11 VAL 60 -0.995 -1.405 21.855 489 HG12 VAL 60 HG12 VAL 60 -1.197 -2.483 20.475 490 HG13 VAL 60 HG13 VAL 60 -2.527 -2.245 21.610 491 HG21 VAL 60 HG21 VAL 60 -2.634 -1.781 18.533 492 HG22 VAL 60 HG22 VAL 60 -3.464 -0.225 18.574 493 HG23 VAL 60 HG23 VAL 60 -4.012 -1.543 19.609 494 H ARG 61 HN ARG 61 -2.723 -0.397 23.538 495 HA ARG 61 HA ARG 61 -5.025 -1.997 23.718 496 HB2 ARG 61 HB2 ARG 61 -3.061 -2.093 25.268 497 HB3 ARG 61 HB1 ARG 61 -3.606 -0.586 25.994 498 HG2 ARG 61 HG2 ARG 61 -5.720 -1.702 26.637 499 HG3 ARG 61 HG1 ARG 61 -5.087 -3.215 25.987 500 HD2 ARG 61 HD2 ARG 61 -3.259 -3.166 27.601 501 HD3 ARG 61 HD1 ARG 61 -3.826 -1.613 28.221 502 HE ARG 61 HE ARG 61 -5.436 -4.081 28.402 503 HH11 ARG 61 HH11 ARG 61 -4.105 -1.251 29.852 504 HH12 ARG 61 HH12 ARG 61 -4.931 -1.500 31.345 505 HH21 ARG 61 HH21 ARG 61 -6.518 -4.365 30.296 506 HH22 ARG 61 HH22 ARG 61 -6.324 -3.222 31.580 507 H LYS 62 HN LYS 62 -4.495 1.414 24.571 508 HA LYS 62 HA LYS 62 -7.295 1.781 25.296 509 HB2 LYS 62 HB2 LYS 62 -6.702 4.067 25.818 510 HB3 LYS 62 HB1 LYS 62 -5.489 2.998 26.503 511 HG2 LYS 62 HG2 LYS 62 -3.928 3.542 24.757 512 HG3 LYS 62 HG1 LYS 62 -5.153 4.477 23.899 513 HD2 LYS 62 HD2 LYS 62 -5.271 6.010 25.864 514 HD3 LYS 62 HD1 LYS 62 -3.935 5.118 26.591 515 HE2 LYS 62 HE2 LYS 62 -2.475 5.728 24.758 516 HE3 LYS 62 HE1 LYS 62 -3.811 6.503 23.910 517 HZ1 LYS 62 HZ1 LYS 62 -2.569 7.379 26.459 518 HZ2 LYS 62 HZ2 LYS 62 -3.970 8.065 25.805 519 HZ3 LYS 62 HZ3 LYS 62 -2.509 8.171 24.966 520 H LYS 63 HN LYS 63 -5.306 2.075 22.500 521 HA LYS 63 HA LYS 63 -7.122 3.885 21.105 522 HB2 LYS 63 HB2 LYS 63 -4.731 4.255 20.865 523 HB3 LYS 63 HB1 LYS 63 -4.501 2.617 20.280 524 HG2 LYS 63 HG2 LYS 63 -5.771 3.149 18.262 525 HG3 LYS 63 HG1 LYS 63 -6.050 4.783 18.862 526 HD2 LYS 63 HD2 LYS 63 -3.259 3.706 18.497 527 HD3 LYS 63 HD1 LYS 63 -4.151 4.410 17.149 528 HE2 LYS 63 HE2 LYS 63 -2.758 6.113 18.119 529 HE3 LYS 63 HE1 LYS 63 -4.439 6.488 18.491 530 HZ1 LYS 63 HZ1 LYS 63 -3.086 6.819 20.419 531 HZ2 LYS 63 HZ2 LYS 63 -2.454 5.262 20.319 532 HZ3 LYS 63 HZ3 LYS 63 -4.083 5.489 20.694 533 H THR 64 HN THR 64 -7.196 0.647 21.686 534 HA THR 64 HA THR 64 -7.619 -0.483 19.139 535 HB THR 64 HB THR 64 -7.255 -1.943 21.042 536 HG1 THR 64 HG1 THR 64 -9.647 -2.995 20.680 537 HG21 THR 64 HG21 THR 64 -9.970 -1.055 22.046 538 HG22 THR 64 HG22 THR 64 -8.421 -0.615 22.768 539 HG23 THR 64 HG23 THR 64 -8.948 -2.299 22.767 540 H LYS 65 HN LYS 65 -9.336 -0.540 17.788 541 HA LYS 65 HA LYS 65 -11.428 1.338 18.088 542 HB2 LYS 65 HB2 LYS 65 -10.426 0.519 15.922 543 HB3 LYS 65 HB1 LYS 65 -11.322 -0.975 16.134 544 HG2 LYS 65 HG2 LYS 65 -12.751 1.665 16.095 545 HG3 LYS 65 HG1 LYS 65 -12.268 0.880 14.592 546 HD2 LYS 65 HD2 LYS 65 -13.569 -1.105 15.202 547 HD3 LYS 65 HD1 LYS 65 -14.033 -0.346 16.725 548 HE2 LYS 65 HE2 LYS 65 -15.219 1.406 15.518 549 HE3 LYS 65 HE1 LYS 65 -14.699 0.723 13.976 550 HZ1 LYS 65 HZ1 LYS 65 -16.415 -0.674 15.962 551 HZ2 LYS 65 HZ2 LYS 65 -15.970 -1.254 14.437 552 HZ3 LYS 65 HZ3 LYS 65 -16.974 0.097 14.565 553 H ASN 66 HN ASN 66 -11.302 -2.168 18.554 554 HA ASN 66 HA ASN 66 -14.069 -2.094 19.595 555 HB2 ASN 66 HB2 ASN 66 -14.014 -3.383 17.549 556 HB3 ASN 66 HB1 ASN 66 -12.633 -4.313 18.117 557 HD21 ASN 66 HD21 ASN 66 -13.796 -6.227 17.772 558 HD22 ASN 66 HD22 ASN 66 -15.041 -6.734 18.856 559 H GLU 67 HN GLU 67 -14.395 -2.759 21.639 560 HA GLU 67 HA GLU 67 -12.248 -3.225 23.411 561 HB2 GLU 67 HB2 GLU 67 -14.381 -2.262 24.138 562 HB3 GLU 67 HB1 GLU 67 -15.208 -3.772 23.784 563 HG2 GLU 67 HG2 GLU 67 -13.947 -4.901 25.532 564 HG3 GLU 67 HG1 GLU 67 -13.046 -3.423 25.859 565 H GLU 68 HN GLU 68 -14.474 -5.445 21.793 566 HA GLU 68 HA GLU 68 -13.613 -7.826 23.069 567 HB2 GLU 68 HB2 GLU 68 -14.846 -7.439 20.328 568 HB3 GLU 68 HB1 GLU 68 -14.691 -8.982 21.156 569 HG2 GLU 68 HG2 GLU 68 -16.168 -8.195 22.932 570 HG3 GLU 68 HG1 GLU 68 -16.301 -6.627 22.137 571 H LEU 69 HN LEU 69 -12.385 -6.001 20.358 572 HA LEU 69 HA LEU 69 -10.665 -7.976 19.270 573 HB2 LEU 69 HB2 LEU 69 -11.484 -5.852 18.163 574 HB3 LEU 69 HB1 LEU 69 -10.313 -4.976 19.124 575 HG LEU 69 HG LEU 69 -9.453 -7.187 17.256 576 HD11 LEU 69 HD11 LEU 69 -9.045 -5.498 15.543 577 HD12 LEU 69 HD12 LEU 69 -9.791 -4.267 16.565 578 HD13 LEU 69 HD13 LEU 69 -10.761 -5.600 15.938 579 HD21 LEU 69 HD21 LEU 69 -7.341 -5.910 17.234 580 HD22 LEU 69 HD22 LEU 69 -7.780 -6.444 18.855 581 HD23 LEU 69 HD23 LEU 69 -8.035 -4.764 18.384 582 H ALA 70 HN ALA 70 -10.295 -5.644 21.875 583 HA ALA 70 HA ALA 70 -7.530 -5.462 22.063 584 HB1 ALA 70 HB1 ALA 70 -9.102 -4.052 23.320 585 HB2 ALA 70 HB2 ALA 70 -7.867 -4.755 24.365 586 HB3 ALA 70 HB3 ALA 70 -9.499 -5.427 24.351 587 H LYS 71 HN LYS 71 -9.649 -8.013 23.312 588 HA LYS 71 HA LYS 71 -7.702 -9.370 24.855 589 HB2 LYS 71 HB2 LYS 71 -10.255 -10.304 23.541 590 HB3 LYS 71 HB1 LYS 71 -9.214 -11.411 24.421 591 HG2 LYS 71 HG2 LYS 71 -10.956 -10.733 25.884 592 HG3 LYS 71 HG1 LYS 71 -9.468 -9.962 26.432 593 HD2 LYS 71 HD2 LYS 71 -10.158 -7.860 25.391 594 HD3 LYS 71 HD1 LYS 71 -11.622 -8.628 24.771 595 HE2 LYS 71 HE2 LYS 71 -12.333 -9.085 27.095 596 HE3 LYS 71 HE1 LYS 71 -10.901 -8.238 27.681 597 HZ1 LYS 71 HZ1 LYS 71 -11.696 -6.220 26.662 598 HZ2 LYS 71 HZ2 LYS 71 -12.893 -6.840 27.681 599 HZ3 LYS 71 HZ3 LYS 71 -13.031 -7.026 26.007 600 H ARG 72 HN ARG 72 -8.699 -9.744 21.466 601 HA ARG 72 HA ARG 72 -6.981 -11.918 20.851 602 HB2 ARG 72 HB2 ARG 72 -8.978 -11.278 19.517 603 HB3 ARG 72 HB1 ARG 72 -8.141 -9.823 18.994 604 HG2 ARG 72 HG2 ARG 72 -6.416 -11.245 17.924 605 HG3 ARG 72 HG1 ARG 72 -7.354 -12.670 18.378 606 HD2 ARG 72 HD2 ARG 72 -8.241 -10.429 16.555 607 HD3 ARG 72 HD1 ARG 72 -7.814 -12.070 16.071 608 HE ARG 72 HE ARG 72 -9.841 -12.421 17.854 609 HH11 ARG 72 HH11 ARG 72 -9.486 -10.593 14.960 610 HH12 ARG 72 HH12 ARG 72 -11.158 -10.700 14.555 611 HH21 ARG 72 HH21 ARG 72 -11.999 -12.542 17.329 612 HH22 ARG 72 HH22 ARG 72 -12.565 -11.797 15.874 613 H ALA 73 HN ALA 73 -6.600 -8.418 20.677 614 HA ALA 73 HA ALA 73 -4.090 -8.414 19.323 615 HB1 ALA 73 HB1 ALA 73 -3.989 -6.050 19.931 616 HB2 ALA 73 HB2 ALA 73 -5.336 -6.268 21.048 617 HB3 ALA 73 HB3 ALA 73 -5.585 -6.475 19.315 618 H LYS 74 HN LYS 74 -5.009 -8.418 22.745 619 HA LYS 74 HA LYS 74 -2.596 -7.691 23.914 620 HB2 LYS 74 HB2 LYS 74 -4.725 -7.980 25.146 621 HB3 LYS 74 HB1 LYS 74 -4.586 -9.724 24.958 622 HG2 LYS 74 HG2 LYS 74 -2.406 -9.581 26.216 623 HG3 LYS 74 HG1 LYS 74 -2.803 -7.897 26.559 624 HD2 LYS 74 HD2 LYS 74 -4.444 -10.310 27.349 625 HD3 LYS 74 HD1 LYS 74 -3.421 -9.357 28.423 626 HE2 LYS 74 HE2 LYS 74 -4.849 -7.373 27.922 627 HE3 LYS 74 HE1 LYS 74 -5.914 -8.427 26.992 628 HZ1 LYS 74 HZ1 LYS 74 -6.204 -9.764 29.047 629 HZ2 LYS 74 HZ2 LYS 74 -6.808 -8.189 29.171 630 HZ3 LYS 74 HZ3 LYS 74 -5.336 -8.587 29.896 631 H LYS 75 HN LYS 75 -3.644 -10.878 22.787 632 HA LYS 75 HA LYS 75 -1.551 -12.448 23.769 633 HB2 LYS 75 HB2 LYS 75 -3.739 -13.142 22.597 634 HB3 LYS 75 HB1 LYS 75 -2.880 -12.892 21.088 635 HG2 LYS 75 HG2 LYS 75 -1.879 -14.773 23.217 636 HG3 LYS 75 HG1 LYS 75 -3.028 -15.269 21.978 637 HD2 LYS 75 HD2 LYS 75 -1.376 -14.576 20.245 638 HD3 LYS 75 HD1 LYS 75 -0.223 -14.232 21.537 639 HE2 LYS 75 HE2 LYS 75 0.180 -16.437 20.564 640 HE3 LYS 75 HE1 LYS 75 -0.322 -16.571 22.250 641 HZ1 LYS 75 HZ1 LYS 75 -1.439 -18.199 20.872 642 HZ2 LYS 75 HZ2 LYS 75 -2.068 -16.982 19.880 643 HZ3 LYS 75 HZ3 LYS 75 -2.564 -17.101 21.494 644 H LEU 76 HN LEU 76 -1.779 -10.541 20.796 645 HA LEU 76 HA LEU 76 0.680 -11.350 19.641 646 HB2 LEU 76 HB2 LEU 76 -1.437 -9.988 18.728 647 HB3 LEU 76 HB1 LEU 76 -0.419 -8.618 19.120 648 HG LEU 76 HG LEU 76 0.316 -10.853 17.213 649 HD11 LEU 76 HD11 LEU 76 -1.476 -9.452 16.343 650 HD12 LEU 76 HD12 LEU 76 0.025 -9.181 15.459 651 HD13 LEU 76 HD13 LEU 76 -0.516 -8.005 16.659 652 HD21 LEU 76 HD21 LEU 76 2.197 -9.403 16.575 653 HD22 LEU 76 HD22 LEU 76 2.299 -9.914 18.259 654 HD23 LEU 76 HD23 LEU 76 1.760 -8.281 17.865 655 H LEU 77 HN LEU 77 -0.208 -8.609 21.726 656 HA LEU 77 HA LEU 77 2.287 -7.308 21.792 657 HB2 LEU 77 HB2 LEU 77 -0.057 -7.379 23.675 658 HB3 LEU 77 HB1 LEU 77 1.403 -6.516 24.114 659 HG LEU 77 HG LEU 77 1.157 -5.016 22.223 660 HD11 LEU 77 HD11 LEU 77 -0.768 -5.090 20.733 661 HD12 LEU 77 HD12 LEU 77 -1.319 -6.580 21.499 662 HD13 LEU 77 HD13 LEU 77 0.194 -6.559 20.593 663 HD21 LEU 77 HD21 LEU 77 -1.440 -5.316 23.736 664 HD22 LEU 77 HD22 LEU 77 -0.903 -3.873 22.873 665 HD23 LEU 77 HD23 LEU 77 -0.012 -4.438 24.285 666 H ARG 78 HN ARG 78 0.987 -9.903 23.850 667 HA ARG 78 HA ARG 78 3.130 -10.059 25.672 668 HB2 ARG 78 HB2 ARG 78 1.293 -12.268 24.709 669 HB3 ARG 78 HB1 ARG 78 2.340 -12.368 26.119 670 HG2 ARG 78 HG2 ARG 78 0.074 -10.405 25.768 671 HG3 ARG 78 HG1 ARG 78 0.003 -11.895 26.709 672 HD2 ARG 78 HD2 ARG 78 1.861 -9.568 27.243 673 HD3 ARG 78 HD1 ARG 78 0.372 -9.906 28.122 674 HE ARG 78 HE ARG 78 2.859 -11.468 28.247 675 HH11 ARG 78 HH11 ARG 78 -0.312 -10.806 29.440 676 HH12 ARG 78 HH12 ARG 78 -0.104 -11.798 30.840 677 HH21 ARG 78 HH21 ARG 78 3.105 -12.717 30.069 678 HH22 ARG 78 HH22 ARG 78 1.791 -12.862 31.188 679 H SER 79 HN SER 79 2.813 -11.239 22.406 680 HA SER 79 HA SER 79 4.884 -13.146 22.364 681 HB2 SER 79 HB2 SER 79 3.253 -12.928 20.537 682 HB3 SER 79 HB1 SER 79 3.931 -11.360 20.105 683 HG SER 79 HG SER 79 5.954 -12.508 19.741 684 H TRP 80 HN TRP 80 5.030 -9.671 22.432 685 HA TRP 80 HA TRP 80 7.863 -9.641 21.665 686 HB2 TRP 80 HB2 TRP 80 6.381 -7.216 22.654 687 HB3 TRP 80 HB1 TRP 80 7.701 -7.313 21.495 688 HD1 TRP 80 HD1 TRP 80 6.234 -9.489 19.534 689 HE1 TRP 80 HE1 TRP 80 4.301 -8.654 18.053 690 HE3 TRP 80 HE3 TRP 80 5.019 -5.241 22.093 691 HZ2 TRP 80 HZ2 TRP 80 2.517 -6.479 17.966 692 HZ3 TRP 80 HZ3 TRP 80 3.198 -3.824 21.243 693 HH2 TRP 80 HH2 TRP 80 1.966 -4.436 19.217 694 H GLN 81 HN GLN 81 5.789 -8.917 24.436 695 HA GLN 81 HA GLN 81 7.668 -7.928 26.227 696 HB2 GLN 81 HB2 GLN 81 5.113 -9.451 26.725 697 HB3 GLN 81 HB1 GLN 81 6.045 -8.683 28.004 698 HG2 GLN 81 HG2 GLN 81 4.895 -7.230 25.625 699 HG3 GLN 81 HG1 GLN 81 4.124 -7.337 27.208 700 HE21 GLN 81 HE21 GLN 81 6.795 -5.998 25.414 701 HE22 GLN 81 HE22 GLN 81 7.232 -4.814 26.588 702 H LYS 82 HN LYS 82 7.376 -11.148 25.125 703 HA LYS 82 HA LYS 82 8.245 -12.637 27.333 704 HB2 LYS 82 HB2 LYS 82 8.939 -14.331 25.629 705 HB3 LYS 82 HB1 LYS 82 7.296 -13.741 25.445 706 HG2 LYS 82 HG2 LYS 82 7.931 -13.648 23.269 707 HG3 LYS 82 HG1 LYS 82 8.482 -12.050 23.768 708 HD2 LYS 82 HD2 LYS 82 10.222 -13.088 22.474 709 HD3 LYS 82 HD1 LYS 82 10.752 -13.025 24.156 710 HE2 LYS 82 HE2 LYS 82 10.149 -15.364 24.458 711 HE3 LYS 82 HE1 LYS 82 9.528 -15.439 22.810 712 HZ1 LYS 82 HZ1 LYS 82 12.350 -14.914 23.562 713 HZ2 LYS 82 HZ2 LYS 82 11.750 -15.032 21.983 714 HZ3 LYS 82 HZ3 LYS 82 11.743 -16.386 22.994 715 H LEU 83 HN LEU 83 10.032 -10.232 25.783 716 HA LEU 83 HA LEU 83 12.629 -11.395 26.227 717 HB2 LEU 83 HB2 LEU 83 13.573 -9.362 25.570 718 HB3 LEU 83 HB1 LEU 83 12.127 -9.505 24.593 719 HG LEU 83 HG LEU 83 12.305 -7.795 27.088 720 HD11 LEU 83 HD11 LEU 83 12.492 -5.876 25.597 721 HD12 LEU 83 HD12 LEU 83 12.567 -6.953 24.201 722 HD13 LEU 83 HD13 LEU 83 13.862 -6.968 25.400 723 HD21 LEU 83 HD21 LEU 83 10.269 -7.858 24.860 724 HD22 LEU 83 HD22 LEU 83 10.276 -6.743 26.229 725 HD23 LEU 83 HD23 LEU 83 10.033 -8.468 26.497 726 H ILE 84 HN ILE 84 10.447 -9.296 28.054 727 HA ILE 84 HA ILE 84 12.354 -9.216 30.289 728 HB ILE 84 HB ILE 84 10.771 -7.510 31.277 729 HG12 ILE 84 HG12 ILE 84 9.363 -6.322 29.434 730 HG13 ILE 84 HG11 ILE 84 9.453 -7.855 28.579 731 HG21 ILE 84 HG21 ILE 84 11.573 -5.687 29.836 732 HG22 ILE 84 HG22 ILE 84 12.047 -6.872 28.618 733 HG23 ILE 84 HG23 ILE 84 12.838 -6.862 30.195 734 HD11 ILE 84 HD11 ILE 84 7.373 -7.627 29.806 735 HD12 ILE 84 HD12 ILE 84 8.265 -7.429 31.313 736 HD13 ILE 84 HD13 ILE 84 8.335 -8.961 30.441 737 H GLU 85 HN GLU 85 9.433 -10.718 29.310 738 HA GLU 85 HA GLU 85 8.509 -11.486 31.917 739 HB2 GLU 85 HB2 GLU 85 7.916 -12.558 29.151 740 HB3 GLU 85 HB1 GLU 85 7.176 -13.205 30.607 741 HG2 GLU 85 HG2 GLU 85 6.212 -10.979 31.066 742 HG3 GLU 85 HG1 GLU 85 6.890 -10.403 29.540 743 HA PRO 86 HA PRO 86 11.117 -15.156 32.444 744 HB2 PRO 86 HB2 PRO 86 9.546 -16.565 34.155 745 HB3 PRO 86 HB1 PRO 86 10.462 -15.144 34.672 746 HG2 PRO 86 HG2 PRO 86 7.559 -15.357 33.934 747 HG3 PRO 86 HG1 PRO 86 8.307 -14.503 35.297 748 HD2 PRO 86 HD2 PRO 86 7.528 -13.230 33.028 749 HD3 PRO 86 HD1 PRO 86 8.915 -12.693 33.998 750 H ALA 87 HN ALA 87 10.004 -15.182 30.013 751 HA ALA 87 HA ALA 87 8.997 -16.318 28.329 752 HB1 ALA 87 HB1 ALA 87 9.198 -18.742 28.355 753 HB2 ALA 87 HB2 ALA 87 9.514 -18.715 30.091 754 HB3 ALA 87 HB3 ALA 87 10.668 -17.990 28.971 755 H HIS 88 HN HIS 88 7.094 -15.056 29.468 756 HA HIS 88 HA HIS 88 4.878 -14.910 29.921 757 HB2 HIS 88 HB2 HIS 88 4.910 -17.532 28.420 758 HB3 HIS 88 HB1 HIS 88 3.421 -16.729 28.909 759 HD1 HIS 88 HD1 HIS 88 3.014 -16.712 26.235 760 HD2 HIS 88 HD2 HIS 88 6.001 -14.198 27.660 761 HE1 HIS 88 HE1 HIS 88 3.446 -15.071 24.393 762 HE2 HIS 88 HE2 HIS 88 5.134 -13.470 25.336 763 H GLN 89 HN GLN 89 6.645 -16.344 31.911 764 HA GLN 89 HA GLN 89 6.458 -17.386 33.933 765 HB2 GLN 89 HB2 GLN 89 4.625 -15.636 34.124 766 HB3 GLN 89 HB1 GLN 89 3.476 -16.888 33.680 767 HG2 GLN 89 HG2 GLN 89 4.173 -18.182 35.672 768 HG3 GLN 89 HG1 GLN 89 5.239 -16.855 36.127 769 HE21 GLN 89 HE21 GLN 89 1.950 -17.929 35.889 770 HE22 GLN 89 HE22 GLN 89 1.259 -16.657 36.829 771 H HIS 90 HN HIS 90 6.176 -18.912 31.409 772 HA HIS 90 HA HIS 90 5.858 -21.031 30.672 773 HB2 HIS 90 HB2 HIS 90 5.225 -21.605 33.575 774 HB3 HIS 90 HB1 HIS 90 5.358 -22.845 32.332 775 HD1 HIS 90 HD1 HIS 90 7.797 -22.973 31.137 776 HD2 HIS 90 HD2 HIS 90 7.589 -20.928 34.749 777 HE1 HIS 90 HE1 HIS 90 10.160 -22.838 31.970 778 HE2 HIS 90 HE2 HIS 90 10.025 -21.462 34.066 779 H GLU 91 HN GLU 91 3.594 -19.005 31.134 780 HA GLU 91 HA GLU 91 1.431 -18.767 30.536 781 HB2 GLU 91 HB2 GLU 91 1.777 -21.525 29.334 782 HB3 GLU 91 HB1 GLU 91 0.435 -20.434 29.005 783 HG2 GLU 91 HG2 GLU 91 2.018 -18.790 28.082 784 HG3 GLU 91 HG1 GLU 91 3.338 -19.921 28.370 785 H ALA 92 HN ALA 92 0.212 -18.629 32.303 786 HA ALA 92 HA ALA 92 -0.959 -21.114 33.388 787 HB1 ALA 92 HB1 ALA 92 0.796 -20.307 34.920 788 HB2 ALA 92 HB2 ALA 92 -0.808 -20.259 35.651 789 HB3 ALA 92 HB3 ALA 92 -0.061 -18.771 35.070 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 1.088 -3.059 -1.613 2 H2 MET 1 HT2 MET 1 2.427 -4.062 -1.847 3 H3 MET 1 HT3 MET 1 1.496 -4.216 -0.447 4 HA MET 1 HA MET 1 -0.409 -4.926 -1.740 5 HB2 MET 1 HB2 MET 1 1.539 -4.671 -4.043 6 HB3 MET 1 HB1 MET 1 0.010 -5.536 -4.153 7 HG2 MET 1 HG2 MET 1 -0.157 -3.290 -5.076 8 HG3 MET 1 HG1 MET 1 -1.207 -3.490 -3.673 9 HE1 MET 1 HE1 MET 1 -0.198 0.257 -3.351 10 HE2 MET 1 HE2 MET 1 -1.527 -0.902 -3.361 11 HE3 MET 1 HE3 MET 1 -0.570 -0.646 -4.820 12 H THR 2 HN THR 2 2.598 -6.215 -3.197 13 HA THR 2 HA THR 2 1.888 -8.851 -2.112 14 HB THR 2 HB THR 2 2.281 -8.828 -4.506 15 HG1 THR 2 HG1 THR 2 3.048 -10.745 -4.042 16 HG21 THR 2 HG21 THR 2 4.458 -8.278 -5.471 17 HG22 THR 2 HG22 THR 2 5.076 -7.848 -3.876 18 HG23 THR 2 HG23 THR 2 3.798 -6.883 -4.617 19 H ALA 3 HN ALA 3 4.322 -6.376 -1.809 20 HA ALA 3 HA ALA 3 6.405 -7.955 -0.708 21 HB1 ALA 3 HB1 ALA 3 5.901 -5.005 -0.316 22 HB2 ALA 3 HB2 ALA 3 6.745 -5.720 -1.690 23 HB3 ALA 3 HB3 ALA 3 7.426 -5.856 -0.068 24 H ALA 4 HN ALA 4 7.254 -7.734 1.538 25 HA ALA 4 HA ALA 4 5.139 -7.448 3.568 26 HB1 ALA 4 HB1 ALA 4 5.235 -9.817 2.966 27 HB2 ALA 4 HB2 ALA 4 5.795 -9.561 4.620 28 HB3 ALA 4 HB3 ALA 4 6.961 -9.846 3.327 29 HA PRO 5 HA PRO 5 8.342 -5.287 5.838 30 HB2 PRO 5 HB2 PRO 5 6.814 -6.014 8.266 31 HB3 PRO 5 HB1 PRO 5 7.203 -4.416 7.620 32 HG2 PRO 5 HG2 PRO 5 4.712 -5.397 7.500 33 HG3 PRO 5 HG1 PRO 5 5.376 -4.405 6.189 34 HD2 PRO 5 HD2 PRO 5 5.065 -7.388 6.338 35 HD3 PRO 5 HD1 PRO 5 4.738 -6.289 4.978 36 H ALA 6 HN ALA 6 10.205 -5.807 6.904 37 HA ALA 6 HA ALA 6 10.576 -8.617 7.670 38 HB1 ALA 6 HB1 ALA 6 12.652 -6.488 7.146 39 HB2 ALA 6 HB2 ALA 6 12.095 -7.692 5.983 40 HB3 ALA 6 HB3 ALA 6 12.961 -8.202 7.432 41 H SER 7 HN SER 7 12.032 -5.565 8.879 42 HA SER 7 HA SER 7 11.920 -6.691 11.600 43 HB2 SER 7 HB2 SER 7 13.726 -5.105 12.149 44 HB3 SER 7 HB1 SER 7 14.169 -6.139 10.791 45 HG SER 7 HG SER 7 14.716 -4.130 10.153 46 HA PRO 8 HA PRO 8 9.005 -3.911 13.421 47 HB2 PRO 8 HB2 PRO 8 11.279 -3.112 15.211 48 HB3 PRO 8 HB1 PRO 8 9.612 -3.533 15.633 49 HG2 PRO 8 HG2 PRO 8 11.542 -5.314 15.966 50 HG3 PRO 8 HG1 PRO 8 9.972 -5.816 15.308 51 HD2 PRO 8 HD2 PRO 8 12.583 -5.433 13.908 52 HD3 PRO 8 HD1 PRO 8 11.290 -6.606 13.586 53 H GLN 9 HN GLN 9 12.113 -2.581 12.440 54 HA GLN 9 HA GLN 9 11.642 0.139 12.953 55 HB2 GLN 9 HB2 GLN 9 13.312 -1.005 10.699 56 HB3 GLN 9 HB1 GLN 9 13.468 0.595 11.414 57 HG2 GLN 9 HG2 GLN 9 14.004 -2.032 12.800 58 HG3 GLN 9 HG1 GLN 9 15.219 -0.908 12.197 59 HE21 GLN 9 HE21 GLN 9 14.732 -1.916 14.905 60 HE22 GLN 9 HE22 GLN 9 14.535 -0.512 15.887 61 H GLN 10 HN GLN 10 10.906 -1.799 10.055 62 HA GLN 10 HA GLN 10 9.789 0.356 8.564 63 HB2 GLN 10 HB2 GLN 10 9.437 -2.636 8.341 64 HB3 GLN 10 HB1 GLN 10 8.653 -1.505 7.248 65 HG2 GLN 10 HG2 GLN 10 10.605 -2.313 6.167 66 HG3 GLN 10 HG1 GLN 10 10.906 -0.641 6.627 67 HE21 GLN 10 HE21 GLN 10 11.022 -3.346 8.864 68 HE22 GLN 10 HE22 GLN 10 12.721 -3.254 9.150 69 H ILE 11 HN ILE 11 8.459 -1.913 10.902 70 HA ILE 11 HA ILE 11 5.723 -1.356 10.511 71 HB ILE 11 HB ILE 11 7.234 -2.396 12.912 72 HG12 ILE 11 HG12 ILE 11 5.933 -4.484 12.380 73 HG13 ILE 11 HG11 ILE 11 5.308 -3.680 10.947 74 HG21 ILE 11 HG21 ILE 11 5.346 -1.174 13.812 75 HG22 ILE 11 HG22 ILE 11 5.064 -2.907 13.970 76 HG23 ILE 11 HG23 ILE 11 4.247 -1.994 12.701 77 HD11 ILE 11 HD11 ILE 11 8.196 -4.329 11.507 78 HD12 ILE 11 HD12 ILE 11 7.592 -3.493 10.076 79 HD13 ILE 11 HD13 ILE 11 7.128 -5.166 10.382 80 H ARG 12 HN ARG 12 8.158 0.184 12.606 81 HA ARG 12 HA ARG 12 6.457 1.919 14.003 82 HB2 ARG 12 HB2 ARG 12 8.891 1.509 14.499 83 HB3 ARG 12 HB1 ARG 12 9.292 2.548 13.138 84 HG2 ARG 12 HG2 ARG 12 8.091 4.413 14.261 85 HG3 ARG 12 HG1 ARG 12 7.816 3.357 15.647 86 HD2 ARG 12 HD2 ARG 12 9.709 4.672 16.187 87 HD3 ARG 12 HD1 ARG 12 10.329 3.074 15.775 88 HE ARG 12 HE ARG 12 10.485 5.467 14.065 89 HH11 ARG 12 HH11 ARG 12 11.590 2.319 14.904 90 HH12 ARG 12 HH12 ARG 12 12.942 2.383 13.832 91 HH21 ARG 12 HH21 ARG 12 12.218 5.547 12.694 92 HH22 ARG 12 HH22 ARG 12 13.279 4.187 12.578 93 H ASP 13 HN ASP 13 8.206 2.444 10.947 94 HA ASP 13 HA ASP 13 7.320 5.084 10.488 95 HB2 ASP 13 HB2 ASP 13 9.254 4.116 9.335 96 HB3 ASP 13 HB1 ASP 13 8.207 2.967 8.510 97 H ARG 14 HN ARG 14 6.046 1.964 9.341 98 HA ARG 14 HA ARG 14 3.910 3.028 7.820 99 HB2 ARG 14 HB2 ARG 14 4.830 0.723 7.589 100 HB3 ARG 14 HB1 ARG 14 4.104 0.303 9.132 101 HG2 ARG 14 HG2 ARG 14 2.800 -0.497 7.201 102 HG3 ARG 14 HG1 ARG 14 1.885 0.604 8.230 103 HD2 ARG 14 HD2 ARG 14 1.900 2.303 6.655 104 HD3 ARG 14 HD1 ARG 14 3.361 1.703 5.872 105 HE ARG 14 HE ARG 14 2.068 0.105 4.723 106 HH11 ARG 14 HH11 ARG 14 0.094 2.221 6.609 107 HH12 ARG 14 HH12 ARG 14 -1.347 1.799 5.747 108 HH21 ARG 14 HH21 ARG 14 0.213 -0.388 3.630 109 HH22 ARG 14 HH22 ARG 14 -1.279 0.375 4.079 110 H LEU 15 HN LEU 15 4.175 2.148 11.224 111 HA LEU 15 HA LEU 15 1.401 2.361 11.833 112 HB2 LEU 15 HB2 LEU 15 3.408 1.309 13.167 113 HB3 LEU 15 HB1 LEU 15 3.559 2.914 13.848 114 HG LEU 15 HG LEU 15 1.053 1.222 14.007 115 HD11 LEU 15 HD11 LEU 15 1.667 0.842 16.344 116 HD12 LEU 15 HD12 LEU 15 3.187 1.701 16.088 117 HD13 LEU 15 HD13 LEU 15 2.878 0.183 15.244 118 HD21 LEU 15 HD21 LEU 15 0.363 2.829 15.733 119 HD22 LEU 15 HD22 LEU 15 0.581 3.606 14.168 120 HD23 LEU 15 HD23 LEU 15 1.812 3.784 15.418 121 H LEU 16 HN LEU 16 4.120 4.643 12.108 122 HA LEU 16 HA LEU 16 2.705 6.674 13.473 123 HB2 LEU 16 HB2 LEU 16 5.223 6.803 11.814 124 HB3 LEU 16 HB1 LEU 16 4.612 8.150 12.758 125 HG LEU 16 HG LEU 16 5.492 5.478 13.875 126 HD11 LEU 16 HD11 LEU 16 7.375 6.711 14.817 127 HD12 LEU 16 HD12 LEU 16 6.826 8.184 14.017 128 HD13 LEU 16 HD13 LEU 16 7.371 6.808 13.057 129 HD21 LEU 16 HD21 LEU 16 4.589 7.987 15.299 130 HD22 LEU 16 HD22 LEU 16 5.232 6.537 16.070 131 HD23 LEU 16 HD23 LEU 16 3.700 6.466 15.203 132 H GLN 17 HN GLN 17 3.070 6.037 10.025 133 HA GLN 17 HA GLN 17 2.141 8.579 9.143 134 HB2 GLN 17 HB2 GLN 17 1.850 7.521 6.945 135 HB3 GLN 17 HB1 GLN 17 3.402 7.114 7.655 136 HG2 GLN 17 HG2 GLN 17 2.733 5.095 6.791 137 HG3 GLN 17 HG1 GLN 17 2.195 4.967 8.463 138 HE21 GLN 17 HE21 GLN 17 0.560 3.535 8.101 139 HE22 GLN 17 HE22 GLN 17 -0.861 3.918 7.197 140 H ALA 18 HN ALA 18 0.495 5.889 10.480 141 HA ALA 18 HA ALA 18 -2.083 6.541 9.271 142 HB1 ALA 18 HB1 ALA 18 -1.442 4.201 9.525 143 HB2 ALA 18 HB2 ALA 18 -2.895 4.565 10.458 144 HB3 ALA 18 HB3 ALA 18 -1.338 4.410 11.272 145 H ILE 19 HN ILE 19 -0.343 7.302 12.137 146 HA ILE 19 HA ILE 19 -2.792 8.388 13.389 147 HB ILE 19 HB ILE 19 -1.873 7.910 15.608 148 HG12 ILE 19 HG12 ILE 19 0.349 6.429 14.160 149 HG13 ILE 19 HG11 ILE 19 0.537 7.988 14.957 150 HG21 ILE 19 HG21 ILE 19 -3.366 6.264 14.625 151 HG22 ILE 19 HG22 ILE 19 -2.134 5.457 15.596 152 HG23 ILE 19 HG23 ILE 19 -2.005 5.464 13.838 153 HD11 ILE 19 HD11 ILE 19 -0.192 5.394 16.295 154 HD12 ILE 19 HD12 ILE 19 -0.019 6.954 17.101 155 HD13 ILE 19 HD13 ILE 19 1.380 6.191 16.342 156 H ASP 20 HN ASP 20 -2.317 10.146 14.996 157 HA ASP 20 HA ASP 20 -0.039 11.802 14.139 158 HB2 ASP 20 HB2 ASP 20 -2.542 12.512 15.684 159 HB3 ASP 20 HB1 ASP 20 -1.227 13.638 15.365 160 HA PRO 21 HA PRO 21 2.401 11.058 17.733 161 HB2 PRO 21 HB2 PRO 21 3.158 13.660 18.395 162 HB3 PRO 21 HB1 PRO 21 3.947 12.639 17.190 163 HG2 PRO 21 HG2 PRO 21 1.884 14.776 16.802 164 HG3 PRO 21 HG1 PRO 21 3.327 14.420 15.831 165 HD2 PRO 21 HD2 PRO 21 0.905 13.672 14.996 166 HD3 PRO 21 HD1 PRO 21 2.308 12.602 14.769 167 H GLN 22 HN GLN 22 -0.395 13.036 17.931 168 HA GLN 22 HA GLN 22 -0.306 13.446 20.792 169 HB2 GLN 22 HB2 GLN 22 -1.396 14.986 19.061 170 HB3 GLN 22 HB1 GLN 22 -2.698 13.811 18.979 171 HG2 GLN 22 HG2 GLN 22 -2.186 14.494 21.730 172 HG3 GLN 22 HG1 GLN 22 -2.404 15.959 20.781 173 HE21 GLN 22 HE21 GLN 22 -3.964 12.864 20.144 174 HE22 GLN 22 HE22 GLN 22 -5.564 13.406 20.479 175 H SER 23 HN SER 23 -0.580 10.688 19.255 176 HA SER 23 HA SER 23 -1.338 8.618 19.786 177 HB2 SER 23 HB2 SER 23 -2.298 9.939 22.342 178 HB3 SER 23 HB1 SER 23 -2.209 8.199 22.067 179 HG SER 23 HG SER 23 0.019 8.357 21.904 180 H ASN 24 HN ASN 24 -3.068 10.405 18.251 181 HA ASN 24 HA ASN 24 -5.669 9.156 18.889 182 HB2 ASN 24 HB2 ASN 24 -6.772 10.917 17.618 183 HB3 ASN 24 HB1 ASN 24 -5.765 11.620 18.878 184 HD21 ASN 24 HD21 ASN 24 -4.111 12.932 18.314 185 HD22 ASN 24 HD22 ASN 24 -3.770 13.413 16.691 186 H ILE 25 HN ILE 25 -6.909 8.247 17.172 187 HA ILE 25 HA ILE 25 -5.288 7.048 15.075 188 HB ILE 25 HB ILE 25 -8.234 6.670 15.694 189 HG12 ILE 25 HG12 ILE 25 -6.767 5.932 17.541 190 HG13 ILE 25 HG11 ILE 25 -7.556 4.565 16.761 191 HG21 ILE 25 HG21 ILE 25 -6.384 5.088 13.900 192 HG22 ILE 25 HG22 ILE 25 -7.732 6.103 13.383 193 HG23 ILE 25 HG23 ILE 25 -8.039 4.636 14.313 194 HD11 ILE 25 HD11 ILE 25 -4.704 5.448 16.351 195 HD12 ILE 25 HD12 ILE 25 -5.483 4.092 15.531 196 HD13 ILE 25 HD13 ILE 25 -5.251 4.052 17.279 197 H ARG 26 HN ARG 26 -4.847 8.567 13.522 198 HA ARG 26 HA ARG 26 -6.843 10.390 12.539 199 HB2 ARG 26 HB2 ARG 26 -4.584 11.163 12.628 200 HB3 ARG 26 HB1 ARG 26 -4.005 9.790 11.701 201 HG2 ARG 26 HG2 ARG 26 -5.039 10.622 9.702 202 HG3 ARG 26 HG1 ARG 26 -5.847 11.907 10.599 203 HD2 ARG 26 HD2 ARG 26 -3.703 12.477 9.268 204 HD3 ARG 26 HD1 ARG 26 -3.880 13.109 10.904 205 HE ARG 26 HE ARG 26 -2.227 11.640 11.644 206 HH11 ARG 26 HH11 ARG 26 -2.813 11.260 8.267 207 HH12 ARG 26 HH12 ARG 26 -1.365 10.346 8.010 208 HH21 ARG 26 HH21 ARG 26 -0.374 10.474 11.301 209 HH22 ARG 26 HH22 ARG 26 -0.006 9.911 9.708 210 H ASN 27 HN ASN 27 -5.342 7.411 11.334 211 HA ASN 27 HA ASN 27 -7.351 7.343 9.164 212 HB2 ASN 27 HB2 ASN 27 -5.049 7.933 8.363 213 HB3 ASN 27 HB1 ASN 27 -4.489 6.375 8.949 214 HD21 ASN 27 HD21 ASN 27 -4.591 7.542 6.246 215 HD22 ASN 27 HD22 ASN 27 -5.437 6.382 5.288 216 H MET 28 HN MET 28 -8.742 5.768 9.755 217 HA MET 28 HA MET 28 -8.134 3.731 11.607 218 HB2 MET 28 HB2 MET 28 -10.406 4.618 11.279 219 HB3 MET 28 HB1 MET 28 -10.462 3.902 9.675 220 HG2 MET 28 HG2 MET 28 -10.224 1.663 10.716 221 HG3 MET 28 HG1 MET 28 -10.298 2.431 12.300 222 HE1 MET 28 HE1 MET 28 -13.774 2.377 9.262 223 HE2 MET 28 HE2 MET 28 -12.238 1.548 9.015 224 HE3 MET 28 HE3 MET 28 -12.300 3.311 9.011 225 H VAL 29 HN VAL 29 -8.676 3.519 8.070 226 HA VAL 29 HA VAL 29 -8.319 0.726 7.928 227 HB VAL 29 HB VAL 29 -9.443 1.951 6.138 228 HG11 VAL 29 HG11 VAL 29 -6.723 3.076 5.457 229 HG12 VAL 29 HG12 VAL 29 -8.093 3.979 6.104 230 HG13 VAL 29 HG13 VAL 29 -8.191 3.267 4.493 231 HG21 VAL 29 HG21 VAL 29 -8.426 0.812 4.215 232 HG22 VAL 29 HG22 VAL 29 -8.498 -0.244 5.624 233 HG23 VAL 29 HG23 VAL 29 -6.971 0.507 5.163 234 H ALA 30 HN ALA 30 -5.981 3.383 7.407 235 HA ALA 30 HA ALA 30 -3.778 1.780 6.689 236 HB1 ALA 30 HB1 ALA 30 -3.798 4.196 6.345 237 HB2 ALA 30 HB2 ALA 30 -2.388 3.710 7.284 238 HB3 ALA 30 HB3 ALA 30 -3.768 4.459 8.088 239 H VAL 31 HN VAL 31 -4.995 2.777 9.853 240 HA VAL 31 HA VAL 31 -2.961 1.626 11.436 241 HB VAL 31 HB VAL 31 -5.874 2.222 11.989 242 HG11 VAL 31 HG11 VAL 31 -5.303 0.306 13.374 243 HG12 VAL 31 HG12 VAL 31 -5.453 1.758 14.363 244 HG13 VAL 31 HG13 VAL 31 -3.855 1.131 13.951 245 HG21 VAL 31 HG21 VAL 31 -4.932 3.963 13.445 246 HG22 VAL 31 HG22 VAL 31 -4.379 4.143 11.779 247 HG23 VAL 31 HG23 VAL 31 -3.303 3.452 12.994 248 H LEU 32 HN LEU 32 -6.082 0.280 10.321 249 HA LEU 32 HA LEU 32 -5.858 -2.244 11.493 250 HB2 LEU 32 HB2 LEU 32 -7.194 -1.479 8.894 251 HB3 LEU 32 HB1 LEU 32 -7.436 -3.004 9.729 252 HG LEU 32 HG LEU 32 -8.156 -0.276 10.822 253 HD11 LEU 32 HD11 LEU 32 -10.470 -1.004 10.543 254 HD12 LEU 32 HD12 LEU 32 -9.915 -2.493 9.780 255 HD13 LEU 32 HD13 LEU 32 -9.622 -0.939 9.000 256 HD21 LEU 32 HD21 LEU 32 -8.648 -3.029 11.965 257 HD22 LEU 32 HD22 LEU 32 -9.249 -1.510 12.631 258 HD23 LEU 32 HD23 LEU 32 -7.517 -1.832 12.593 259 H GLU 33 HN GLU 33 -4.440 -1.034 8.499 260 HA GLU 33 HA GLU 33 -3.547 -3.482 7.429 261 HB2 GLU 33 HB2 GLU 33 -2.278 -0.740 7.191 262 HB3 GLU 33 HB1 GLU 33 -1.891 -2.126 6.181 263 HG2 GLU 33 HG2 GLU 33 -4.192 -2.141 5.328 264 HG3 GLU 33 HG1 GLU 33 -4.565 -0.741 6.330 265 H VAL 34 HN VAL 34 -1.876 -1.194 9.625 266 HA VAL 34 HA VAL 34 0.482 -2.826 9.753 267 HB VAL 34 HB VAL 34 0.631 -0.399 10.063 268 HG11 VAL 34 HG11 VAL 34 -0.060 0.672 12.145 269 HG12 VAL 34 HG12 VAL 34 -0.790 -0.838 12.690 270 HG13 VAL 34 HG13 VAL 34 -1.443 -0.002 11.282 271 HG21 VAL 34 HG21 VAL 34 1.547 -1.971 12.478 272 HG22 VAL 34 HG22 VAL 34 2.171 -0.398 11.979 273 HG23 VAL 34 HG23 VAL 34 2.410 -1.808 10.947 274 H ILE 35 HN ILE 35 -2.384 -2.469 11.816 275 HA ILE 35 HA ILE 35 -1.534 -4.165 13.911 276 HB ILE 35 HB ILE 35 -4.242 -3.336 12.907 277 HG12 ILE 35 HG12 ILE 35 -4.454 -2.458 15.221 278 HG13 ILE 35 HG11 ILE 35 -2.862 -3.093 15.599 279 HG21 ILE 35 HG21 ILE 35 -4.589 -5.676 13.452 280 HG22 ILE 35 HG22 ILE 35 -5.341 -4.658 14.681 281 HG23 ILE 35 HG23 ILE 35 -3.803 -5.454 15.017 282 HD11 ILE 35 HD11 ILE 35 -1.879 -1.591 13.943 283 HD12 ILE 35 HD12 ILE 35 -2.772 -0.722 15.192 284 HD13 ILE 35 HD13 ILE 35 -3.484 -0.947 13.595 285 H SER 36 HN SER 36 -3.263 -4.900 10.881 286 HA SER 36 HA SER 36 -3.521 -7.672 11.232 287 HB2 SER 36 HB2 SER 36 -4.682 -6.471 9.432 288 HB3 SER 36 HB1 SER 36 -3.140 -6.131 8.646 289 HG SER 36 HG SER 36 -4.319 -8.687 9.073 290 H SER 37 HN SER 37 -0.867 -5.782 9.809 291 HA SER 37 HA SER 37 0.803 -7.993 9.183 292 HB2 SER 37 HB2 SER 37 1.177 -5.768 8.200 293 HB3 SER 37 HB1 SER 37 1.587 -5.126 9.789 294 HG SER 37 HG SER 37 3.365 -6.585 9.824 295 H LEU 38 HN LEU 38 0.414 -6.028 12.083 296 HA LEU 38 HA LEU 38 2.627 -6.955 13.555 297 HB2 LEU 38 HB2 LEU 38 1.223 -4.964 14.094 298 HB3 LEU 38 HB1 LEU 38 -0.061 -6.045 14.602 299 HG LEU 38 HG LEU 38 1.412 -6.919 16.398 300 HD11 LEU 38 HD11 LEU 38 3.311 -4.766 15.459 301 HD12 LEU 38 HD12 LEU 38 3.575 -6.509 15.374 302 HD13 LEU 38 HD13 LEU 38 3.481 -5.708 16.942 303 HD21 LEU 38 HD21 LEU 38 -0.166 -5.119 16.873 304 HD22 LEU 38 HD22 LEU 38 1.040 -3.919 16.404 305 HD23 LEU 38 HD23 LEU 38 1.307 -4.930 17.825 306 H GLU 39 HN GLU 39 -0.684 -8.219 13.282 307 HA GLU 39 HA GLU 39 -0.490 -10.326 15.127 308 HB2 GLU 39 HB2 GLU 39 -2.051 -10.185 12.531 309 HB3 GLU 39 HB1 GLU 39 -2.272 -11.429 13.754 310 HG2 GLU 39 HG2 GLU 39 -2.964 -9.712 15.366 311 HG3 GLU 39 HG1 GLU 39 -2.756 -8.473 14.128 312 H LYS 40 HN LYS 40 0.836 -9.961 11.941 313 HA LYS 40 HA LYS 40 1.551 -12.802 11.724 314 HB2 LYS 40 HB2 LYS 40 1.911 -10.549 9.729 315 HB3 LYS 40 HB1 LYS 40 2.112 -12.269 9.409 316 HG2 LYS 40 HG2 LYS 40 -0.225 -12.674 9.689 317 HG3 LYS 40 HG1 LYS 40 -0.494 -11.042 10.302 318 HD2 LYS 40 HD2 LYS 40 0.167 -10.137 8.091 319 HD3 LYS 40 HD1 LYS 40 0.347 -11.788 7.493 320 HE2 LYS 40 HE2 LYS 40 -2.019 -12.214 7.934 321 HE3 LYS 40 HE1 LYS 40 -2.206 -10.579 8.568 322 HZ1 LYS 40 HZ1 LYS 40 -1.608 -9.718 6.382 323 HZ2 LYS 40 HZ2 LYS 40 -2.968 -10.714 6.299 324 HZ3 LYS 40 HZ3 LYS 40 -1.469 -11.293 5.783 325 H TYR 41 HN TYR 41 2.956 -9.751 12.507 326 HA TYR 41 HA TYR 41 5.612 -10.995 12.757 327 HB2 TYR 41 HB2 TYR 41 5.103 -8.232 11.600 328 HB3 TYR 41 HB1 TYR 41 6.686 -8.891 11.990 329 HD1 TYR 41 HD1 TYR 41 7.545 -10.867 10.689 330 HD2 TYR 41 HD2 TYR 41 4.036 -8.744 9.532 331 HE1 TYR 41 HE1 TYR 41 7.714 -11.821 8.432 332 HE2 TYR 41 HE2 TYR 41 4.199 -9.697 7.271 333 HH TYR 41 HH TYR 41 5.865 -10.664 5.804 334 HA PRO 42 HA PRO 42 4.588 -8.963 16.731 335 HB2 PRO 42 HB2 PRO 42 5.768 -10.761 18.344 336 HB3 PRO 42 HB1 PRO 42 4.206 -11.077 17.575 337 HG2 PRO 42 HG2 PRO 42 6.939 -12.011 16.754 338 HG3 PRO 42 HG1 PRO 42 5.426 -12.932 16.842 339 HD2 PRO 42 HD2 PRO 42 6.424 -11.885 14.514 340 HD3 PRO 42 HD1 PRO 42 4.695 -12.162 14.801 341 H ILE 43 HN ILE 43 5.842 -7.737 18.186 342 HA ILE 43 HA ILE 43 8.623 -7.288 17.317 343 HB ILE 43 HB ILE 43 6.789 -5.452 18.882 344 HG12 ILE 43 HG12 ILE 43 7.658 -5.315 15.977 345 HG13 ILE 43 HG11 ILE 43 6.069 -5.835 16.530 346 HG21 ILE 43 HG21 ILE 43 8.495 -3.728 18.425 347 HG22 ILE 43 HG22 ILE 43 9.524 -4.958 17.687 348 HG23 ILE 43 HG23 ILE 43 9.132 -5.050 19.404 349 HD11 ILE 43 HD11 ILE 43 5.670 -3.618 17.466 350 HD12 ILE 43 HD12 ILE 43 6.022 -3.546 15.740 351 HD13 ILE 43 HD13 ILE 43 7.260 -3.097 16.910 352 H THR 44 HN THR 44 10.240 -7.908 18.634 353 HA THR 44 HA THR 44 9.793 -8.913 21.274 354 HB THR 44 HB THR 44 11.614 -9.863 20.027 355 HG1 THR 44 HG1 THR 44 13.152 -9.770 21.617 356 HG21 THR 44 HG21 THR 44 13.586 -8.586 19.351 357 HG22 THR 44 HG22 THR 44 12.863 -7.105 19.984 358 HG23 THR 44 HG23 THR 44 12.135 -7.924 18.600 359 H LYS 45 HN LYS 45 10.818 -8.162 23.224 360 HA LYS 45 HA LYS 45 10.280 -5.510 23.909 361 HB2 LYS 45 HB2 LYS 45 10.333 -7.211 25.590 362 HB3 LYS 45 HB1 LYS 45 11.995 -7.624 25.212 363 HG2 LYS 45 HG2 LYS 45 11.811 -6.413 27.321 364 HG3 LYS 45 HG1 LYS 45 12.768 -5.524 26.138 365 HD2 LYS 45 HD2 LYS 45 10.915 -4.039 25.681 366 HD3 LYS 45 HD1 LYS 45 9.848 -4.991 26.720 367 HE2 LYS 45 HE2 LYS 45 10.750 -2.876 27.753 368 HE3 LYS 45 HE1 LYS 45 11.040 -4.346 28.681 369 HZ1 LYS 45 HZ1 LYS 45 13.283 -4.377 28.022 370 HZ2 LYS 45 HZ2 LYS 45 12.972 -2.775 28.461 371 HZ3 LYS 45 HZ3 LYS 45 13.055 -3.206 26.828 372 H GLU 46 HN GLU 46 13.233 -6.975 22.695 373 HA GLU 46 HA GLU 46 15.089 -4.997 23.425 374 HB2 GLU 46 HB2 GLU 46 15.718 -7.219 22.606 375 HB3 GLU 46 HB1 GLU 46 15.070 -6.839 21.017 376 HG2 GLU 46 HG2 GLU 46 16.773 -5.101 20.741 377 HG3 GLU 46 HG1 GLU 46 17.421 -5.484 22.336 378 H ALA 47 HN ALA 47 13.368 -5.390 20.310 379 HA ALA 47 HA ALA 47 14.119 -2.820 19.302 380 HB1 ALA 47 HB1 ALA 47 12.526 -3.272 17.510 381 HB2 ALA 47 HB2 ALA 47 11.880 -4.644 18.410 382 HB3 ALA 47 HB3 ALA 47 13.540 -4.682 17.816 383 H LEU 48 HN LEU 48 11.387 -4.066 21.099 384 HA LEU 48 HA LEU 48 9.454 -2.115 20.568 385 HB2 LEU 48 HB2 LEU 48 9.197 -4.397 21.653 386 HB3 LEU 48 HB1 LEU 48 9.769 -3.669 23.140 387 HG LEU 48 HG LEU 48 7.794 -2.067 22.955 388 HD11 LEU 48 HD11 LEU 48 6.904 -4.102 20.911 389 HD12 LEU 48 HD12 LEU 48 7.265 -2.402 20.609 390 HD13 LEU 48 HD13 LEU 48 5.889 -2.843 21.618 391 HD21 LEU 48 HD21 LEU 48 7.856 -3.912 24.552 392 HD22 LEU 48 HD22 LEU 48 7.233 -5.013 23.322 393 HD23 LEU 48 HD23 LEU 48 6.229 -3.688 23.910 394 H GLU 49 HN GLU 49 11.754 -2.321 23.288 395 HA GLU 49 HA GLU 49 10.849 0.078 24.556 396 HB2 GLU 49 HB2 GLU 49 11.911 -1.685 25.842 397 HB3 GLU 49 HB1 GLU 49 13.386 -1.530 24.898 398 HG2 GLU 49 HG2 GLU 49 13.736 0.721 25.795 399 HG3 GLU 49 HG1 GLU 49 12.244 0.582 26.725 400 H GLU 50 HN GLU 50 13.618 -0.697 22.493 401 HA GLU 50 HA GLU 50 15.099 1.641 22.847 402 HB2 GLU 50 HB2 GLU 50 16.039 -0.376 21.878 403 HB3 GLU 50 HB1 GLU 50 14.963 -0.253 20.493 404 HG2 GLU 50 HG2 GLU 50 16.087 1.822 19.813 405 HG3 GLU 50 HG1 GLU 50 17.174 1.674 21.194 406 H THR 51 HN THR 51 12.869 0.846 20.176 407 HA THR 51 HA THR 51 13.076 3.557 19.113 408 HB THR 51 HB THR 51 11.645 2.728 17.273 409 HG1 THR 51 HG1 THR 51 11.856 0.110 18.319 410 HG21 THR 51 HG21 THR 51 13.251 1.085 16.353 411 HG22 THR 51 HG22 THR 51 14.006 0.956 17.942 412 HG23 THR 51 HG23 THR 51 14.056 2.484 17.063 413 H ARG 52 HN ARG 52 11.477 2.492 21.635 414 HA ARG 52 HA ARG 52 9.657 3.107 22.823 415 HB2 ARG 52 HB2 ARG 52 9.626 5.323 20.775 416 HB3 ARG 52 HB1 ARG 52 8.452 5.244 22.081 417 HG2 ARG 52 HG2 ARG 52 11.448 5.472 22.382 418 HG3 ARG 52 HG1 ARG 52 10.263 6.754 22.643 419 HD2 ARG 52 HD2 ARG 52 9.242 5.257 24.422 420 HD3 ARG 52 HD1 ARG 52 10.671 4.237 24.262 421 HE ARG 52 HE ARG 52 10.529 6.898 25.439 422 HH11 ARG 52 HH11 ARG 52 12.515 4.264 24.432 423 HH12 ARG 52 HH12 ARG 52 13.871 4.795 25.362 424 HH21 ARG 52 HH21 ARG 52 12.280 7.538 26.657 425 HH22 ARG 52 HH22 ARG 52 13.736 6.608 26.610 426 H LEU 53 HN LEU 53 9.383 1.257 20.470 427 HA LEU 53 HA LEU 53 6.738 1.518 19.472 428 HB2 LEU 53 HB2 LEU 53 8.562 -0.863 19.763 429 HB3 LEU 53 HB1 LEU 53 6.965 -0.982 19.048 430 HG LEU 53 HG LEU 53 9.173 0.794 17.986 431 HD11 LEU 53 HD11 LEU 53 9.754 -1.585 17.775 432 HD12 LEU 53 HD12 LEU 53 9.436 -0.843 16.208 433 HD13 LEU 53 HD13 LEU 53 8.220 -1.879 16.954 434 HD21 LEU 53 HD21 LEU 53 7.734 0.989 16.020 435 HD22 LEU 53 HD22 LEU 53 6.922 1.589 17.463 436 HD23 LEU 53 HD23 LEU 53 6.502 0.005 16.811 437 H GLY 54 HN GLY 54 7.977 0.536 22.529 438 HA2 GLY 54 HA2 GLY 54 5.915 -1.064 23.527 439 HA3 GLY 54 HA1 GLY 54 6.897 0.024 24.497 440 H LYS 55 HN LYS 55 6.045 2.403 23.037 441 HA LYS 55 HA LYS 55 3.865 3.214 24.580 442 HB2 LYS 55 HB2 LYS 55 5.491 4.745 23.539 443 HB3 LYS 55 HB1 LYS 55 4.833 4.359 21.954 444 HG2 LYS 55 HG2 LYS 55 2.676 5.323 22.617 445 HG3 LYS 55 HG1 LYS 55 3.348 5.718 24.202 446 HD2 LYS 55 HD2 LYS 55 5.015 7.170 23.127 447 HD3 LYS 55 HD1 LYS 55 4.338 6.777 21.545 448 HE2 LYS 55 HE2 LYS 55 2.204 7.785 22.208 449 HE3 LYS 55 HE1 LYS 55 2.872 8.164 23.796 450 HZ1 LYS 55 HZ1 LYS 55 4.515 9.576 22.710 451 HZ2 LYS 55 HZ2 LYS 55 2.942 10.085 22.361 452 HZ3 LYS 55 HZ3 LYS 55 3.833 9.237 21.201 453 H LEU 56 HN LEU 56 3.908 1.759 21.334 454 HA LEU 56 HA LEU 56 1.319 2.454 20.536 455 HB2 LEU 56 HB2 LEU 56 1.442 0.790 18.866 456 HB3 LEU 56 HB1 LEU 56 3.068 1.393 19.080 457 HG LEU 56 HG LEU 56 3.361 -0.725 20.613 458 HD11 LEU 56 HD11 LEU 56 1.047 -1.456 20.631 459 HD12 LEU 56 HD12 LEU 56 2.057 -2.657 19.828 460 HD13 LEU 56 HD13 LEU 56 1.044 -1.573 18.871 461 HD21 LEU 56 HD21 LEU 56 4.583 -0.319 18.541 462 HD22 LEU 56 HD22 LEU 56 3.219 -0.929 17.605 463 HD23 LEU 56 HD23 LEU 56 4.109 -2.013 18.675 464 H ILE 57 HN ILE 57 2.413 -0.108 22.675 465 HA ILE 57 HA ILE 57 0.009 -1.563 22.904 466 HB ILE 57 HB ILE 57 2.088 -1.120 25.065 467 HG12 ILE 57 HG12 ILE 57 1.973 -3.278 22.936 468 HG13 ILE 57 HG11 ILE 57 3.094 -1.921 22.945 469 HG21 ILE 57 HG21 ILE 57 0.030 -2.110 25.914 470 HG22 ILE 57 HG22 ILE 57 1.337 -3.291 25.928 471 HG23 ILE 57 HG23 ILE 57 0.099 -3.361 24.674 472 HD11 ILE 57 HD11 ILE 57 4.150 -3.971 23.712 473 HD12 ILE 57 HD12 ILE 57 2.967 -4.108 25.011 474 HD13 ILE 57 HD13 ILE 57 4.107 -2.762 24.994 475 H ASN 58 HN ASN 58 1.219 1.274 24.609 476 HA ASN 58 HA ASN 58 -0.910 1.514 26.479 477 HB2 ASN 58 HB2 ASN 58 1.255 2.552 26.882 478 HB3 ASN 58 HB1 ASN 58 1.093 3.534 25.430 479 HD21 ASN 58 HD21 ASN 58 -0.303 5.306 25.450 480 HD22 ASN 58 HD22 ASN 58 -0.905 5.969 26.931 481 H ASP 59 HN ASP 59 -0.208 3.137 23.391 482 HA ASP 59 HA ASP 59 -2.463 4.845 23.443 483 HB2 ASP 59 HB2 ASP 59 -0.673 3.984 21.156 484 HB3 ASP 59 HB1 ASP 59 -1.877 5.265 21.045 485 H VAL 60 HN VAL 60 -1.922 1.704 21.797 486 HA VAL 60 HA VAL 60 -4.390 1.668 20.417 487 HB VAL 60 HB VAL 60 -2.450 0.128 19.935 488 HG11 VAL 60 HG11 VAL 60 -3.516 -1.418 22.300 489 HG12 VAL 60 HG12 VAL 60 -1.958 -0.596 22.215 490 HG13 VAL 60 HG13 VAL 60 -2.283 -1.979 21.171 491 HG21 VAL 60 HG21 VAL 60 -5.154 -1.178 20.303 492 HG22 VAL 60 HG22 VAL 60 -3.855 -1.780 19.272 493 HG23 VAL 60 HG23 VAL 60 -4.630 -0.239 18.904 494 H ARG 61 HN ARG 61 -3.498 0.685 23.669 495 HA ARG 61 HA ARG 61 -5.813 -0.685 24.445 496 HB2 ARG 61 HB2 ARG 61 -3.790 -0.695 25.790 497 HB3 ARG 61 HB1 ARG 61 -3.908 1.039 26.051 498 HG2 ARG 61 HG2 ARG 61 -5.950 0.706 27.365 499 HG3 ARG 61 HG1 ARG 61 -5.841 -1.036 27.092 500 HD2 ARG 61 HD2 ARG 61 -3.711 -1.112 28.264 501 HD3 ARG 61 HD1 ARG 61 -3.741 0.638 28.478 502 HE ARG 61 HE ARG 61 -5.913 0.101 29.771 503 HH11 ARG 61 HH11 ARG 61 -3.088 -1.867 29.708 504 HH12 ARG 61 HH12 ARG 61 -3.341 -2.489 31.298 505 HH21 ARG 61 HH21 ARG 61 -6.230 -0.693 31.814 506 HH22 ARG 61 HH22 ARG 61 -5.117 -1.844 32.474 507 H LYS 62 HN LYS 62 -5.082 2.768 24.428 508 HA LYS 62 HA LYS 62 -7.633 3.485 25.627 509 HB2 LYS 62 HB2 LYS 62 -5.541 4.692 26.182 510 HB3 LYS 62 HB1 LYS 62 -5.419 5.225 24.511 511 HG2 LYS 62 HG2 LYS 62 -7.520 6.478 24.769 512 HG3 LYS 62 HG1 LYS 62 -7.617 5.950 26.452 513 HD2 LYS 62 HD2 LYS 62 -5.454 7.073 26.897 514 HD3 LYS 62 HD1 LYS 62 -5.433 7.646 25.228 515 HE2 LYS 62 HE2 LYS 62 -7.519 8.321 27.310 516 HE3 LYS 62 HE1 LYS 62 -6.224 9.383 26.762 517 HZ1 LYS 62 HZ1 LYS 62 -7.212 9.200 24.493 518 HZ2 LYS 62 HZ2 LYS 62 -8.181 9.997 25.623 519 HZ3 LYS 62 HZ3 LYS 62 -8.537 8.404 25.187 520 H LYS 63 HN LYS 63 -6.162 3.430 22.448 521 HA LYS 63 HA LYS 63 -8.429 4.897 21.271 522 HB2 LYS 63 HB2 LYS 63 -5.643 4.385 20.224 523 HB3 LYS 63 HB1 LYS 63 -6.906 5.190 19.306 524 HG2 LYS 63 HG2 LYS 63 -6.005 6.225 21.980 525 HG3 LYS 63 HG1 LYS 63 -5.153 6.632 20.493 526 HD2 LYS 63 HD2 LYS 63 -6.636 8.421 20.806 527 HD3 LYS 63 HD1 LYS 63 -7.434 7.410 19.603 528 HE2 LYS 63 HE2 LYS 63 -8.860 6.455 21.357 529 HE3 LYS 63 HE1 LYS 63 -8.048 7.452 22.565 530 HZ1 LYS 63 HZ1 LYS 63 -10.137 8.430 21.876 531 HZ2 LYS 63 HZ2 LYS 63 -9.632 8.460 20.265 532 HZ3 LYS 63 HZ3 LYS 63 -8.848 9.424 21.413 533 H THR 64 HN THR 64 -8.183 1.862 21.901 534 HA THR 64 HA THR 64 -7.964 0.459 19.470 535 HB THR 64 HB THR 64 -7.848 -0.795 21.522 536 HG1 THR 64 HG1 THR 64 -9.873 -2.233 21.018 537 HG21 THR 64 HG21 THR 64 -9.326 0.551 22.924 538 HG22 THR 64 HG22 THR 64 -9.820 -1.142 22.967 539 HG23 THR 64 HG23 THR 64 -10.726 0.018 21.993 540 H LYS 65 HN LYS 65 -9.356 -0.041 17.869 541 HA LYS 65 HA LYS 65 -11.709 1.499 17.485 542 HB2 LYS 65 HB2 LYS 65 -10.232 0.709 15.658 543 HB3 LYS 65 HB1 LYS 65 -10.729 -0.944 15.976 544 HG2 LYS 65 HG2 LYS 65 -12.847 1.056 15.345 545 HG3 LYS 65 HG1 LYS 65 -11.798 0.511 14.035 546 HD2 LYS 65 HD2 LYS 65 -12.405 -1.830 14.560 547 HD3 LYS 65 HD1 LYS 65 -13.489 -1.251 15.826 548 HE2 LYS 65 HE2 LYS 65 -14.854 -0.105 14.191 549 HE3 LYS 65 HE1 LYS 65 -13.725 -0.528 12.903 550 HZ1 LYS 65 HZ1 LYS 65 -15.238 -2.505 14.518 551 HZ2 LYS 65 HZ2 LYS 65 -14.271 -2.828 13.167 552 HZ3 LYS 65 HZ3 LYS 65 -15.711 -1.959 12.989 553 H ASN 66 HN ASN 66 -11.127 -1.744 18.672 554 HA ASN 66 HA ASN 66 -14.018 -2.051 19.220 555 HB2 ASN 66 HB2 ASN 66 -13.282 -3.613 17.457 556 HB3 ASN 66 HB1 ASN 66 -12.031 -4.233 18.525 557 HD21 ASN 66 HD21 ASN 66 -15.376 -3.446 19.366 558 HD22 ASN 66 HD22 ASN 66 -15.827 -5.066 19.755 559 H GLU 67 HN GLU 67 -14.435 -2.075 21.355 560 HA GLU 67 HA GLU 67 -12.458 -2.003 23.347 561 HB2 GLU 67 HB2 GLU 67 -15.414 -2.625 23.549 562 HB3 GLU 67 HB1 GLU 67 -14.377 -2.377 24.944 563 HG2 GLU 67 HG2 GLU 67 -15.636 -0.373 24.471 564 HG3 GLU 67 HG1 GLU 67 -13.920 -0.086 24.197 565 H GLU 68 HN GLU 68 -14.473 -4.692 22.215 566 HA GLU 68 HA GLU 68 -13.634 -6.590 24.137 567 HB2 GLU 68 HB2 GLU 68 -14.739 -7.011 21.349 568 HB3 GLU 68 HB1 GLU 68 -14.554 -8.277 22.555 569 HG2 GLU 68 HG2 GLU 68 -16.108 -7.043 24.036 570 HG3 GLU 68 HG1 GLU 68 -16.350 -5.862 22.750 571 H LEU 69 HN LEU 69 -12.285 -5.590 21.069 572 HA LEU 69 HA LEU 69 -10.472 -7.721 20.674 573 HB2 LEU 69 HB2 LEU 69 -11.213 -5.852 19.050 574 HB3 LEU 69 HB1 LEU 69 -9.978 -4.871 19.806 575 HG LEU 69 HG LEU 69 -9.280 -5.905 17.646 576 HD11 LEU 69 HD11 LEU 69 -7.669 -6.841 20.019 577 HD12 LEU 69 HD12 LEU 69 -7.597 -5.237 19.289 578 HD13 LEU 69 HD13 LEU 69 -7.086 -6.648 18.364 579 HD21 LEU 69 HD21 LEU 69 -10.502 -8.012 17.862 580 HD22 LEU 69 HD22 LEU 69 -9.432 -8.503 19.178 581 HD23 LEU 69 HD23 LEU 69 -8.788 -8.287 17.549 582 H ALA 70 HN ALA 70 -10.082 -4.552 22.275 583 HA ALA 70 HA ALA 70 -7.369 -4.733 22.921 584 HB1 ALA 70 HB1 ALA 70 -8.666 -2.674 23.145 585 HB2 ALA 70 HB2 ALA 70 -7.819 -3.058 24.644 586 HB3 ALA 70 HB3 ALA 70 -9.551 -3.368 24.504 587 H LYS 71 HN LYS 71 -10.191 -5.818 24.788 588 HA LYS 71 HA LYS 71 -8.845 -6.740 27.074 589 HB2 LYS 71 HB2 LYS 71 -11.353 -7.953 25.881 590 HB3 LYS 71 HB1 LYS 71 -10.851 -7.997 27.566 591 HG2 LYS 71 HG2 LYS 71 -11.658 -5.530 26.030 592 HG3 LYS 71 HG1 LYS 71 -12.656 -6.392 27.200 593 HD2 LYS 71 HD2 LYS 71 -10.007 -5.073 27.821 594 HD3 LYS 71 HD1 LYS 71 -11.588 -4.353 28.128 595 HE2 LYS 71 HE2 LYS 71 -12.129 -6.270 29.605 596 HE3 LYS 71 HE1 LYS 71 -10.498 -6.892 29.352 597 HZ1 LYS 71 HZ1 LYS 71 -10.810 -5.590 31.428 598 HZ2 LYS 71 HZ2 LYS 71 -11.070 -4.213 30.483 599 HZ3 LYS 71 HZ3 LYS 71 -9.579 -5.006 30.428 600 H ARG 72 HN ARG 72 -9.646 -8.372 24.044 601 HA ARG 72 HA ARG 72 -8.615 -10.933 24.759 602 HB2 ARG 72 HB2 ARG 72 -10.314 -10.503 22.978 603 HB3 ARG 72 HB1 ARG 72 -9.055 -9.768 21.998 604 HG2 ARG 72 HG2 ARG 72 -7.849 -11.926 21.978 605 HG3 ARG 72 HG1 ARG 72 -9.172 -12.646 22.899 606 HD2 ARG 72 HD2 ARG 72 -10.725 -12.009 21.056 607 HD3 ARG 72 HD1 ARG 72 -9.333 -11.446 20.130 608 HE ARG 72 HE ARG 72 -9.234 -14.199 21.045 609 HH11 ARG 72 HH11 ARG 72 -9.907 -12.024 18.455 610 HH12 ARG 72 HH12 ARG 72 -9.883 -13.273 17.260 611 HH21 ARG 72 HH21 ARG 72 -9.210 -15.788 19.489 612 HH22 ARG 72 HH22 ARG 72 -9.484 -15.364 17.832 613 H ALA 73 HN ALA 73 -7.262 -8.101 23.207 614 HA ALA 73 HA ALA 73 -4.960 -9.198 22.060 615 HB1 ALA 73 HB1 ALA 73 -5.360 -6.398 23.116 616 HB2 ALA 73 HB2 ALA 73 -5.813 -6.974 21.511 617 HB3 ALA 73 HB3 ALA 73 -4.115 -6.915 21.979 618 H LYS 74 HN LYS 74 -5.609 -8.291 25.380 619 HA LYS 74 HA LYS 74 -3.076 -7.756 26.363 620 HB2 LYS 74 HB2 LYS 74 -5.280 -7.584 27.589 621 HB3 LYS 74 HB1 LYS 74 -5.216 -9.319 27.839 622 HG2 LYS 74 HG2 LYS 74 -3.053 -7.464 28.820 623 HG3 LYS 74 HG1 LYS 74 -4.491 -7.834 29.768 624 HD2 LYS 74 HD2 LYS 74 -3.896 -10.242 29.670 625 HD3 LYS 74 HD1 LYS 74 -2.421 -9.820 28.799 626 HE2 LYS 74 HE2 LYS 74 -1.849 -10.132 31.097 627 HE3 LYS 74 HE1 LYS 74 -1.761 -8.405 30.752 628 HZ1 LYS 74 HZ1 LYS 74 -4.002 -9.805 32.110 629 HZ2 LYS 74 HZ2 LYS 74 -3.968 -8.155 31.748 630 HZ3 LYS 74 HZ3 LYS 74 -2.862 -8.801 32.848 631 H LYS 75 HN LYS 75 -4.595 -10.947 25.880 632 HA LYS 75 HA LYS 75 -2.532 -12.507 26.988 633 HB2 LYS 75 HB2 LYS 75 -4.959 -13.094 25.997 634 HB3 LYS 75 HB1 LYS 75 -3.998 -13.549 24.600 635 HG2 LYS 75 HG2 LYS 75 -3.707 -14.651 27.396 636 HG3 LYS 75 HG1 LYS 75 -4.458 -15.469 26.028 637 HD2 LYS 75 HD2 LYS 75 -2.320 -15.510 24.856 638 HD3 LYS 75 HD1 LYS 75 -1.561 -14.618 26.173 639 HE2 LYS 75 HE2 LYS 75 -2.063 -16.484 27.702 640 HE3 LYS 75 HE1 LYS 75 -2.760 -17.383 26.355 641 HZ1 LYS 75 HZ1 LYS 75 -0.618 -17.340 25.260 642 HZ2 LYS 75 HZ2 LYS 75 -0.479 -18.042 26.790 643 HZ3 LYS 75 HZ3 LYS 75 0.055 -16.459 26.536 644 H LEU 76 HN LEU 76 -2.934 -11.132 23.751 645 HA LEU 76 HA LEU 76 -0.789 -12.510 22.500 646 HB2 LEU 76 HB2 LEU 76 -2.724 -11.360 21.363 647 HB3 LEU 76 HB1 LEU 76 -1.953 -9.829 21.717 648 HG LEU 76 HG LEU 76 -0.572 -11.951 20.064 649 HD11 LEU 76 HD11 LEU 76 -2.697 -11.485 18.980 650 HD12 LEU 76 HD12 LEU 76 -1.369 -10.781 18.060 651 HD13 LEU 76 HD13 LEU 76 -2.387 -9.749 19.069 652 HD21 LEU 76 HD21 LEU 76 0.661 -10.022 19.157 653 HD22 LEU 76 HD22 LEU 76 0.874 -10.176 20.900 654 HD23 LEU 76 HD23 LEU 76 -0.218 -8.952 20.250 655 H LEU 77 HN LEU 77 -0.985 -9.271 24.000 656 HA LEU 77 HA LEU 77 1.566 -8.363 23.311 657 HB2 LEU 77 HB2 LEU 77 -0.254 -7.704 25.607 658 HB3 LEU 77 HB1 LEU 77 1.335 -6.975 25.495 659 HG LEU 77 HG LEU 77 -0.255 -5.426 24.603 660 HD11 LEU 77 HD11 LEU 77 1.211 -6.740 22.315 661 HD12 LEU 77 HD12 LEU 77 1.886 -5.553 23.433 662 HD13 LEU 77 HD13 LEU 77 0.580 -5.093 22.342 663 HD21 LEU 77 HD21 LEU 77 -2.082 -6.950 24.102 664 HD22 LEU 77 HD22 LEU 77 -1.175 -7.624 22.748 665 HD23 LEU 77 HD23 LEU 77 -1.712 -5.944 22.702 666 H ARG 78 HN ARG 78 0.612 -10.511 25.927 667 HA ARG 78 HA ARG 78 2.931 -10.420 27.492 668 HB2 ARG 78 HB2 ARG 78 1.173 -12.831 26.961 669 HB3 ARG 78 HB1 ARG 78 2.273 -12.636 28.321 670 HG2 ARG 78 HG2 ARG 78 0.935 -10.720 29.107 671 HG3 ARG 78 HG1 ARG 78 -0.182 -10.967 27.764 672 HD2 ARG 78 HD2 ARG 78 -1.115 -11.974 29.738 673 HD3 ARG 78 HD1 ARG 78 -0.633 -13.253 28.623 674 HE ARG 78 HE ARG 78 1.397 -12.636 30.537 675 HH11 ARG 78 HH11 ARG 78 -1.542 -14.382 30.104 676 HH12 ARG 78 HH12 ARG 78 -1.141 -15.562 31.303 677 HH21 ARG 78 HH21 ARG 78 1.875 -14.122 32.093 678 HH22 ARG 78 HH22 ARG 78 0.767 -15.405 32.435 679 H SER 79 HN SER 79 2.333 -11.974 24.426 680 HA SER 79 HA SER 79 4.507 -13.764 24.354 681 HB2 SER 79 HB2 SER 79 3.183 -12.343 22.024 682 HB3 SER 79 HB1 SER 79 4.185 -13.792 21.921 683 HG SER 79 HG SER 79 1.741 -13.962 22.025 684 H TRP 80 HN TRP 80 4.404 -10.309 23.979 685 HA TRP 80 HA TRP 80 7.135 -10.175 22.913 686 HB2 TRP 80 HB2 TRP 80 5.407 -7.877 23.868 687 HB3 TRP 80 HB1 TRP 80 6.835 -7.782 22.847 688 HD1 TRP 80 HD1 TRP 80 5.086 -10.505 21.290 689 HE1 TRP 80 HE1 TRP 80 3.530 -9.701 19.403 690 HE3 TRP 80 HE3 TRP 80 4.931 -5.527 22.426 691 HZ2 TRP 80 HZ2 TRP 80 2.395 -7.281 18.514 692 HZ3 TRP 80 HZ3 TRP 80 3.587 -4.030 21.006 693 HH2 TRP 80 HH2 TRP 80 2.345 -4.892 19.090 694 H GLN 81 HN GLN 81 5.360 -9.664 25.881 695 HA GLN 81 HA GLN 81 7.400 -8.239 27.254 696 HB2 GLN 81 HB2 GLN 81 4.979 -9.670 28.369 697 HB3 GLN 81 HB1 GLN 81 5.957 -8.481 29.220 698 HG2 GLN 81 HG2 GLN 81 4.297 -7.980 26.750 699 HG3 GLN 81 HG1 GLN 81 3.895 -7.491 28.394 700 HE21 GLN 81 HE21 GLN 81 4.295 -5.870 25.965 701 HE22 GLN 81 HE22 GLN 81 5.519 -4.724 26.373 702 H LYS 82 HN LYS 82 6.978 -11.624 26.715 703 HA LYS 82 HA LYS 82 7.941 -12.621 29.160 704 HB2 LYS 82 HB2 LYS 82 7.959 -14.712 28.221 705 HB3 LYS 82 HB1 LYS 82 6.847 -13.880 27.149 706 HG2 LYS 82 HG2 LYS 82 9.774 -14.264 26.544 707 HG3 LYS 82 HG1 LYS 82 8.510 -15.383 26.037 708 HD2 LYS 82 HD2 LYS 82 7.421 -13.536 24.805 709 HD3 LYS 82 HD1 LYS 82 8.760 -12.476 25.257 710 HE2 LYS 82 HE2 LYS 82 10.326 -13.828 24.036 711 HE3 LYS 82 HE1 LYS 82 9.100 -15.059 23.734 712 HZ1 LYS 82 HZ1 LYS 82 9.240 -12.327 22.599 713 HZ2 LYS 82 HZ2 LYS 82 7.862 -13.296 22.489 714 HZ3 LYS 82 HZ3 LYS 82 9.307 -13.801 21.773 715 H LEU 83 HN LEU 83 9.676 -10.832 26.881 716 HA LEU 83 HA LEU 83 12.264 -11.931 27.205 717 HB2 LEU 83 HB2 LEU 83 11.232 -9.227 26.436 718 HB3 LEU 83 HB1 LEU 83 12.937 -9.428 26.753 719 HG LEU 83 HG LEU 83 12.583 -9.562 24.389 720 HD11 LEU 83 HD11 LEU 83 14.275 -11.060 25.325 721 HD12 LEU 83 HD12 LEU 83 13.536 -11.734 23.873 722 HD13 LEU 83 HD13 LEU 83 13.067 -12.341 25.463 723 HD21 LEU 83 HD21 LEU 83 10.225 -10.149 24.368 724 HD22 LEU 83 HD22 LEU 83 10.604 -11.769 24.956 725 HD23 LEU 83 HD23 LEU 83 11.150 -11.261 23.358 726 H ILE 84 HN ILE 84 10.282 -10.087 29.368 727 HA ILE 84 HA ILE 84 12.565 -9.673 31.192 728 HB ILE 84 HB ILE 84 11.168 -8.137 32.455 729 HG12 ILE 84 HG12 ILE 84 8.993 -8.742 30.424 730 HG13 ILE 84 HG11 ILE 84 8.984 -9.253 32.108 731 HG21 ILE 84 HG21 ILE 84 10.904 -6.367 30.772 732 HG22 ILE 84 HG22 ILE 84 11.070 -7.567 29.490 733 HG23 ILE 84 HG23 ILE 84 12.424 -7.241 30.571 734 HD11 ILE 84 HD11 ILE 84 7.548 -7.339 31.787 735 HD12 ILE 84 HD12 ILE 84 8.885 -6.415 31.108 736 HD13 ILE 84 HD13 ILE 84 8.921 -6.902 32.803 737 H GLU 85 HN GLU 85 9.745 -11.619 30.771 738 HA GLU 85 HA GLU 85 10.198 -12.932 33.351 739 HB2 GLU 85 HB2 GLU 85 7.547 -11.757 32.478 740 HB3 GLU 85 HB1 GLU 85 7.682 -12.973 33.740 741 HG2 GLU 85 HG2 GLU 85 9.106 -11.445 35.040 742 HG3 GLU 85 HG1 GLU 85 8.932 -10.225 33.780 743 HA PRO 86 HA PRO 86 9.655 -16.597 30.996 744 HB2 PRO 86 HB2 PRO 86 8.788 -18.392 32.821 745 HB3 PRO 86 HB1 PRO 86 10.409 -17.689 32.883 746 HG2 PRO 86 HG2 PRO 86 7.950 -16.903 34.419 747 HG3 PRO 86 HG1 PRO 86 9.606 -17.142 35.012 748 HD2 PRO 86 HD2 PRO 86 8.594 -14.684 34.475 749 HD3 PRO 86 HD1 PRO 86 10.311 -15.075 34.252 750 H ALA 87 HN ALA 87 7.195 -14.830 30.956 751 HA ALA 87 HA ALA 87 4.994 -16.753 30.901 752 HB1 ALA 87 HB1 ALA 87 4.977 -13.782 30.367 753 HB2 ALA 87 HB2 ALA 87 4.617 -14.551 31.912 754 HB3 ALA 87 HB3 ALA 87 3.558 -14.818 30.526 755 H HIS 88 HN HIS 88 5.997 -17.958 29.075 756 HA HIS 88 HA HIS 88 5.336 -16.696 26.482 757 HB2 HIS 88 HB2 HIS 88 7.233 -18.019 25.477 758 HB3 HIS 88 HB1 HIS 88 7.724 -16.720 26.556 759 HD1 HIS 88 HD1 HIS 88 7.542 -20.471 26.361 760 HD2 HIS 88 HD2 HIS 88 9.162 -17.513 28.782 761 HE1 HIS 88 HE1 HIS 88 9.075 -21.665 27.941 762 HE2 HIS 88 HE2 HIS 88 10.206 -19.833 29.235 763 H GLN 89 HN GLN 89 3.827 -17.743 25.395 764 HA GLN 89 HA GLN 89 2.964 -20.376 26.223 765 HB2 GLN 89 HB2 GLN 89 1.295 -18.694 25.760 766 HB3 GLN 89 HB1 GLN 89 1.915 -18.466 24.131 767 HG2 GLN 89 HG2 GLN 89 1.181 -20.662 23.483 768 HG3 GLN 89 HG1 GLN 89 0.712 -21.037 25.141 769 HE21 GLN 89 HE21 GLN 89 -1.173 -20.180 25.968 770 HE22 GLN 89 HE22 GLN 89 -2.371 -19.433 24.966 771 H HIS 90 HN HIS 90 4.133 -18.970 23.136 772 HA HIS 90 HA HIS 90 5.398 -21.500 22.510 773 HB2 HIS 90 HB2 HIS 90 4.352 -21.751 20.300 774 HB3 HIS 90 HB1 HIS 90 3.173 -21.883 21.596 775 HD1 HIS 90 HD1 HIS 90 4.034 -19.908 18.597 776 HD2 HIS 90 HD2 HIS 90 1.341 -19.696 21.752 777 HE1 HIS 90 HE1 HIS 90 2.314 -18.226 17.895 778 HE2 HIS 90 HE2 HIS 90 0.563 -18.342 19.693 779 H GLU 91 HN GLU 91 7.388 -20.728 22.289 780 HA GLU 91 HA GLU 91 7.856 -18.654 20.249 781 HB2 GLU 91 HB2 GLU 91 9.031 -18.863 23.013 782 HB3 GLU 91 HB1 GLU 91 9.875 -18.006 21.733 783 HG2 GLU 91 HG2 GLU 91 7.065 -17.369 22.622 784 HG3 GLU 91 HG1 GLU 91 8.509 -16.554 23.222 785 H ALA 92 HN ALA 92 9.661 -18.880 18.967 786 HA ALA 92 HA ALA 92 11.505 -21.086 19.339 787 HB1 ALA 92 HB1 ALA 92 10.962 -22.199 17.221 788 HB2 ALA 92 HB2 ALA 92 9.603 -21.098 16.990 789 HB3 ALA 92 HB3 ALA 92 9.599 -22.235 18.338 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 3.563 0.579 -1.690 2 H2 MET 1 HT2 MET 1 2.637 -0.448 -2.660 3 H3 MET 1 HT3 MET 1 4.257 -0.147 -3.050 4 HA MET 1 HA MET 1 5.005 -1.250 -1.068 5 HB2 MET 1 HB2 MET 1 3.023 -0.672 0.310 6 HB3 MET 1 HB1 MET 1 2.068 -1.836 -0.596 7 HG2 MET 1 HG2 MET 1 3.520 -3.643 0.213 8 HG3 MET 1 HG1 MET 1 4.451 -2.466 1.140 9 HE1 MET 1 HE1 MET 1 1.097 -4.397 0.756 10 HE2 MET 1 HE2 MET 1 0.519 -2.741 0.565 11 HE3 MET 1 HE3 MET 1 0.077 -3.671 1.998 12 H THR 2 HN THR 2 6.016 -2.628 -2.455 13 HA THR 2 HA THR 2 4.553 -4.398 -4.204 14 HB THR 2 HB THR 2 6.677 -3.499 -4.972 15 HG1 THR 2 HG1 THR 2 6.241 -5.487 -5.863 16 HG21 THR 2 HG21 THR 2 8.815 -4.206 -3.978 17 HG22 THR 2 HG22 THR 2 7.939 -5.042 -2.695 18 HG23 THR 2 HG23 THR 2 7.840 -3.285 -2.832 19 H ALA 3 HN ALA 3 6.205 -4.698 -1.114 20 HA ALA 3 HA ALA 3 5.020 -7.350 -0.754 21 HB1 ALA 3 HB1 ALA 3 7.120 -8.329 0.038 22 HB2 ALA 3 HB2 ALA 3 7.969 -6.828 -0.337 23 HB3 ALA 3 HB3 ALA 3 7.265 -7.792 -1.636 24 H ALA 4 HN ALA 4 5.234 -8.104 1.553 25 HA ALA 4 HA ALA 4 4.394 -6.142 3.381 26 HB1 ALA 4 HB1 ALA 4 3.813 -8.505 3.598 27 HB2 ALA 4 HB2 ALA 4 4.565 -7.902 5.076 28 HB3 ALA 4 HB3 ALA 4 5.495 -8.898 3.954 29 HA PRO 5 HA PRO 5 8.172 -4.285 4.812 30 HB2 PRO 5 HB2 PRO 5 7.429 -3.638 7.380 31 HB3 PRO 5 HB1 PRO 5 6.940 -2.721 5.951 32 HG2 PRO 5 HG2 PRO 5 5.421 -4.821 7.463 33 HG3 PRO 5 HG1 PRO 5 4.845 -3.268 6.828 34 HD2 PRO 5 HD2 PRO 5 4.350 -5.578 5.545 35 HD3 PRO 5 HD1 PRO 5 4.682 -4.076 4.652 36 H ALA 6 HN ALA 6 6.659 -6.778 6.810 37 HA ALA 6 HA ALA 6 7.462 -8.478 8.073 38 HB1 ALA 6 HB1 ALA 6 10.038 -8.001 6.575 39 HB2 ALA 6 HB2 ALA 6 8.714 -9.040 6.053 40 HB3 ALA 6 HB3 ALA 6 9.630 -9.444 7.503 41 H SER 7 HN SER 7 10.515 -6.640 7.927 42 HA SER 7 HA SER 7 11.024 -6.987 10.697 43 HB2 SER 7 HB2 SER 7 12.305 -5.051 8.751 44 HB3 SER 7 HB1 SER 7 12.948 -5.497 10.331 45 HG SER 7 HG SER 7 13.344 -7.538 9.604 46 HA PRO 8 HA PRO 8 8.414 -3.978 12.615 47 HB2 PRO 8 HB2 PRO 8 10.738 -3.700 14.485 48 HB3 PRO 8 HB1 PRO 8 9.025 -3.967 14.844 49 HG2 PRO 8 HG2 PRO 8 10.741 -5.983 15.002 50 HG3 PRO 8 HG1 PRO 8 9.132 -6.232 14.297 51 HD2 PRO 8 HD2 PRO 8 11.783 -5.975 12.933 52 HD3 PRO 8 HD1 PRO 8 10.398 -7.009 12.526 53 H GLN 9 HN GLN 9 11.720 -3.133 11.763 54 HA GLN 9 HA GLN 9 11.705 -0.418 12.506 55 HB2 GLN 9 HB2 GLN 9 13.236 -1.779 10.271 56 HB3 GLN 9 HB1 GLN 9 13.560 -0.155 10.856 57 HG2 GLN 9 HG2 GLN 9 15.174 -1.580 11.839 58 HG3 GLN 9 HG1 GLN 9 14.033 -1.155 13.112 59 HE21 GLN 9 HE21 GLN 9 14.588 -2.980 14.328 60 HE22 GLN 9 HE22 GLN 9 14.090 -4.569 13.874 61 H GLN 10 HN GLN 10 10.812 -1.957 9.415 62 HA GLN 10 HA GLN 10 10.079 0.462 8.103 63 HB2 GLN 10 HB2 GLN 10 9.424 -2.433 7.571 64 HB3 GLN 10 HB1 GLN 10 8.768 -1.140 6.580 65 HG2 GLN 10 HG2 GLN 10 10.676 -2.018 5.470 66 HG3 GLN 10 HG1 GLN 10 11.094 -0.419 6.075 67 HE21 GLN 10 HE21 GLN 10 10.955 -3.340 8.032 68 HE22 GLN 10 HE22 GLN 10 12.654 -3.416 8.345 69 H ILE 11 HN ILE 11 8.259 -1.879 10.027 70 HA ILE 11 HA ILE 11 5.655 -0.977 9.464 71 HB ILE 11 HB ILE 11 6.652 -2.251 12.030 72 HG12 ILE 11 HG12 ILE 11 5.526 -3.545 9.523 73 HG13 ILE 11 HG11 ILE 11 7.218 -3.573 10.006 74 HG21 ILE 11 HG21 ILE 11 4.427 -1.249 12.264 75 HG22 ILE 11 HG22 ILE 11 4.337 -3.009 12.317 76 HG23 ILE 11 HG23 ILE 11 3.868 -2.146 10.850 77 HD11 ILE 11 HD11 ILE 11 4.934 -4.808 11.531 78 HD12 ILE 11 HD12 ILE 11 6.636 -4.856 11.991 79 HD13 ILE 11 HD13 ILE 11 6.097 -5.665 10.521 80 H ARG 12 HN ARG 12 8.031 0.101 11.825 81 HA ARG 12 HA ARG 12 6.463 1.697 13.487 82 HB2 ARG 12 HB2 ARG 12 8.852 1.084 13.851 83 HB3 ARG 12 HB1 ARG 12 9.311 2.219 12.590 84 HG2 ARG 12 HG2 ARG 12 8.277 4.044 13.971 85 HG3 ARG 12 HG1 ARG 12 8.067 2.858 15.264 86 HD2 ARG 12 HD2 ARG 12 10.539 2.423 15.136 87 HD3 ARG 12 HD1 ARG 12 10.660 3.788 14.028 88 HE ARG 12 HE ARG 12 9.510 4.200 16.691 89 HH11 ARG 12 HH11 ARG 12 11.979 4.856 14.391 90 HH12 ARG 12 HH12 ARG 12 12.771 6.011 15.402 91 HH21 ARG 12 HH21 ARG 12 10.519 5.694 17.985 92 HH22 ARG 12 HH22 ARG 12 11.934 6.500 17.410 93 H ASP 13 HN ASP 13 7.960 2.477 10.376 94 HA ASP 13 HA ASP 13 7.627 5.248 10.383 95 HB2 ASP 13 HB2 ASP 13 9.028 3.968 8.781 96 HB3 ASP 13 HB1 ASP 13 7.567 3.390 7.990 97 H ARG 14 HN ARG 14 5.358 2.710 9.404 98 HA ARG 14 HA ARG 14 3.412 4.482 8.305 99 HB2 ARG 14 HB2 ARG 14 3.375 1.585 9.095 100 HB3 ARG 14 HB1 ARG 14 1.875 2.404 8.675 101 HG2 ARG 14 HG2 ARG 14 2.857 3.021 6.492 102 HG3 ARG 14 HG1 ARG 14 4.307 2.110 6.913 103 HD2 ARG 14 HD2 ARG 14 3.133 0.049 6.906 104 HD3 ARG 14 HD1 ARG 14 1.565 0.859 6.891 105 HE ARG 14 HE ARG 14 2.477 1.712 4.599 106 HH11 ARG 14 HH11 ARG 14 2.814 -1.460 5.908 107 HH12 ARG 14 HH12 ARG 14 2.879 -2.203 4.352 108 HH21 ARG 14 HH21 ARG 14 2.509 0.737 2.626 109 HH22 ARG 14 HH22 ARG 14 2.688 -0.980 2.524 110 H LEU 15 HN LEU 15 4.014 3.315 11.548 111 HA LEU 15 HA LEU 15 1.482 3.764 12.680 112 HB2 LEU 15 HB2 LEU 15 3.413 2.511 13.693 113 HB3 LEU 15 HB1 LEU 15 4.170 4.047 14.050 114 HG LEU 15 HG LEU 15 2.981 2.874 15.971 115 HD11 LEU 15 HD11 LEU 15 2.087 5.687 15.340 116 HD12 LEU 15 HD12 LEU 15 3.618 5.233 16.090 117 HD13 LEU 15 HD13 LEU 15 2.100 4.926 16.931 118 HD21 LEU 15 HD21 LEU 15 1.000 2.142 14.751 119 HD22 LEU 15 HD22 LEU 15 0.518 3.819 14.500 120 HD23 LEU 15 HD23 LEU 15 0.558 3.147 16.129 121 H LEU 16 HN LEU 16 4.292 5.962 12.483 122 HA LEU 16 HA LEU 16 3.195 8.037 14.031 123 HB2 LEU 16 HB2 LEU 16 5.386 8.016 11.970 124 HB3 LEU 16 HB1 LEU 16 4.928 9.483 12.811 125 HG LEU 16 HG LEU 16 5.461 8.339 14.978 126 HD11 LEU 16 HD11 LEU 16 6.653 6.212 13.200 127 HD12 LEU 16 HD12 LEU 16 5.239 6.018 14.238 128 HD13 LEU 16 HD13 LEU 16 6.822 6.323 14.953 129 HD21 LEU 16 HD21 LEU 16 7.708 8.558 12.973 130 HD22 LEU 16 HD22 LEU 16 7.889 8.556 14.729 131 HD23 LEU 16 HD23 LEU 16 7.030 9.875 13.933 132 H GLN 17 HN GLN 17 2.880 7.409 10.565 133 HA GLN 17 HA GLN 17 1.836 10.034 10.002 134 HB2 GLN 17 HB2 GLN 17 1.425 9.183 7.736 135 HB3 GLN 17 HB1 GLN 17 3.061 8.845 8.274 136 HG2 GLN 17 HG2 GLN 17 2.445 6.885 7.218 137 HG3 GLN 17 HG1 GLN 17 2.148 6.520 8.915 138 HE21 GLN 17 HE21 GLN 17 0.639 4.934 8.479 139 HE22 GLN 17 HE22 GLN 17 -0.919 5.274 7.822 140 H ALA 18 HN ALA 18 0.465 7.191 11.283 141 HA ALA 18 HA ALA 18 -2.180 7.605 10.128 142 HB1 ALA 18 HB1 ALA 18 -2.774 5.529 11.248 143 HB2 ALA 18 HB2 ALA 18 -1.227 5.525 12.097 144 HB3 ALA 18 HB3 ALA 18 -1.272 5.338 10.343 145 H ILE 19 HN ILE 19 -0.518 8.490 12.996 146 HA ILE 19 HA ILE 19 -3.022 9.490 14.179 147 HB ILE 19 HB ILE 19 -2.231 8.864 16.453 148 HG12 ILE 19 HG12 ILE 19 -0.178 7.199 14.959 149 HG13 ILE 19 HG11 ILE 19 0.174 8.626 15.926 150 HG21 ILE 19 HG21 ILE 19 -3.915 7.508 15.371 151 HG22 ILE 19 HG22 ILE 19 -2.826 6.473 16.295 152 HG23 ILE 19 HG23 ILE 19 -2.674 6.569 14.541 153 HD11 ILE 19 HD11 ILE 19 -0.931 6.013 16.930 154 HD12 ILE 19 HD12 ILE 19 -0.664 7.451 17.917 155 HD13 ILE 19 HD13 ILE 19 0.704 6.632 17.161 156 H ASP 20 HN ASP 20 -2.740 11.211 15.741 157 HA ASP 20 HA ASP 20 -0.446 12.910 15.135 158 HB2 ASP 20 HB2 ASP 20 -3.075 13.409 16.540 159 HB3 ASP 20 HB1 ASP 20 -1.798 14.620 16.446 160 HA PRO 21 HA PRO 21 2.104 12.502 18.665 161 HB2 PRO 21 HB2 PRO 21 1.442 15.339 19.390 162 HB3 PRO 21 HB1 PRO 21 3.019 14.544 19.283 163 HG2 PRO 21 HG2 PRO 21 2.209 16.127 17.319 164 HG3 PRO 21 HG1 PRO 21 3.036 14.601 16.949 165 HD2 PRO 21 HD2 PRO 21 0.136 15.289 16.730 166 HD3 PRO 21 HD1 PRO 21 1.127 14.230 15.705 167 H GLN 22 HN GLN 22 -1.059 13.961 19.369 168 HA GLN 22 HA GLN 22 -0.898 13.241 22.179 169 HB2 GLN 22 HB2 GLN 22 -2.622 14.903 20.539 170 HB3 GLN 22 HB1 GLN 22 -3.574 13.864 21.584 171 HG2 GLN 22 HG2 GLN 22 -1.336 15.586 22.622 172 HG3 GLN 22 HG1 GLN 22 -2.988 16.168 22.459 173 HE21 GLN 22 HE21 GLN 22 -2.097 12.895 23.490 174 HE22 GLN 22 HE22 GLN 22 -2.678 13.068 25.097 175 H SER 23 HN SER 23 -0.871 11.161 19.951 176 HA SER 23 HA SER 23 -1.485 8.991 19.725 177 HB2 SER 23 HB2 SER 23 -2.527 9.459 22.523 178 HB3 SER 23 HB1 SER 23 -2.587 7.881 21.738 179 HG SER 23 HG SER 23 -0.488 7.664 21.960 180 H ASN 24 HN ASN 24 -3.468 11.230 19.034 181 HA ASN 24 HA ASN 24 -5.982 9.720 19.160 182 HB2 ASN 24 HB2 ASN 24 -7.029 11.812 18.296 183 HB3 ASN 24 HB1 ASN 24 -6.183 12.027 19.826 184 HD21 ASN 24 HD21 ASN 24 -4.226 13.146 19.840 185 HD22 ASN 24 HD22 ASN 24 -3.790 14.219 18.557 186 H ILE 25 HN ILE 25 -7.268 9.327 17.286 187 HA ILE 25 HA ILE 25 -5.774 8.250 15.127 188 HB ILE 25 HB ILE 25 -8.746 8.654 15.504 189 HG12 ILE 25 HG12 ILE 25 -7.625 7.010 16.995 190 HG13 ILE 25 HG11 ILE 25 -8.785 6.249 15.912 191 HG21 ILE 25 HG21 ILE 25 -9.082 7.154 13.579 192 HG22 ILE 25 HG22 ILE 25 -7.347 7.188 13.261 193 HG23 ILE 25 HG23 ILE 25 -8.300 8.664 13.114 194 HD11 ILE 25 HD11 ILE 25 -5.796 6.290 15.538 195 HD12 ILE 25 HD12 ILE 25 -6.963 5.510 14.471 196 HD13 ILE 25 HD13 ILE 25 -6.753 4.930 16.123 197 H ARG 26 HN ARG 26 -4.869 9.376 13.502 198 HA ARG 26 HA ARG 26 -6.176 11.766 12.414 199 HB2 ARG 26 HB2 ARG 26 -3.732 11.793 12.725 200 HB3 ARG 26 HB1 ARG 26 -3.573 10.400 11.664 201 HG2 ARG 26 HG2 ARG 26 -4.487 11.760 9.805 202 HG3 ARG 26 HG1 ARG 26 -4.523 13.157 10.884 203 HD2 ARG 26 HD2 ARG 26 -2.068 11.588 10.080 204 HD3 ARG 26 HD1 ARG 26 -2.526 13.179 9.474 205 HE ARG 26 HE ARG 26 -2.283 13.932 11.857 206 HH11 ARG 26 HH11 ARG 26 -0.526 11.205 10.669 207 HH12 ARG 26 HH12 ARG 26 0.754 11.403 11.813 208 HH21 ARG 26 HH21 ARG 26 -0.630 14.190 13.280 209 HH22 ARG 26 HH22 ARG 26 0.700 13.082 13.271 210 H ASN 27 HN ASN 27 -5.165 8.527 11.413 211 HA ASN 27 HA ASN 27 -7.311 8.494 9.408 212 HB2 ASN 27 HB2 ASN 27 -4.425 7.719 8.951 213 HB3 ASN 27 HB1 ASN 27 -5.729 7.167 7.911 214 HD21 ASN 27 HD21 ASN 27 -3.765 9.839 8.838 215 HD22 ASN 27 HD22 ASN 27 -4.313 10.927 7.615 216 H MET 28 HN MET 28 -8.646 7.088 10.472 217 HA MET 28 HA MET 28 -7.807 4.896 12.022 218 HB2 MET 28 HB2 MET 28 -10.041 5.867 12.240 219 HB3 MET 28 HB1 MET 28 -10.460 5.313 10.625 220 HG2 MET 28 HG2 MET 28 -10.332 3.012 11.322 221 HG3 MET 28 HG1 MET 28 -9.730 3.484 12.909 222 HE1 MET 28 HE1 MET 28 -11.198 4.614 14.787 223 HE2 MET 28 HE2 MET 28 -12.845 5.192 14.521 224 HE3 MET 28 HE3 MET 28 -11.496 5.958 13.681 225 H VAL 29 HN VAL 29 -8.729 5.068 8.592 226 HA VAL 29 HA VAL 29 -8.589 2.334 8.005 227 HB VAL 29 HB VAL 29 -9.455 3.966 6.398 228 HG11 VAL 29 HG11 VAL 29 -7.895 5.798 6.787 229 HG12 VAL 29 HG12 VAL 29 -7.943 5.381 5.073 230 HG13 VAL 29 HG13 VAL 29 -6.584 4.858 6.072 231 HG21 VAL 29 HG21 VAL 29 -8.440 3.044 4.362 232 HG22 VAL 29 HG22 VAL 29 -8.710 1.786 5.568 233 HG23 VAL 29 HG23 VAL 29 -7.087 2.430 5.312 234 H ALA 30 HN ALA 30 -6.021 4.734 8.302 235 HA ALA 30 HA ALA 30 -3.924 3.120 7.254 236 HB1 ALA 30 HB1 ALA 30 -2.426 4.825 8.127 237 HB2 ALA 30 HB2 ALA 30 -3.740 5.519 9.074 238 HB3 ALA 30 HB3 ALA 30 -3.803 5.565 7.314 239 H VAL 31 HN VAL 31 -4.988 3.817 10.608 240 HA VAL 31 HA VAL 31 -2.973 2.261 11.841 241 HB VAL 31 HB VAL 31 -4.282 2.283 13.871 242 HG11 VAL 31 HG11 VAL 31 -3.114 4.334 13.310 243 HG12 VAL 31 HG12 VAL 31 -4.623 4.700 14.147 244 HG13 VAL 31 HG13 VAL 31 -4.513 4.905 12.398 245 HG21 VAL 31 HG21 VAL 31 -6.480 1.744 12.949 246 HG22 VAL 31 HG22 VAL 31 -6.578 3.349 12.228 247 HG23 VAL 31 HG23 VAL 31 -6.556 3.172 13.982 248 H LEU 32 HN LEU 32 -6.213 1.419 10.660 249 HA LEU 32 HA LEU 32 -6.323 -1.233 11.541 250 HB2 LEU 32 HB2 LEU 32 -7.448 0.008 9.026 251 HB3 LEU 32 HB1 LEU 32 -7.840 -1.612 9.574 252 HG LEU 32 HG LEU 32 -8.445 0.946 11.076 253 HD11 LEU 32 HD11 LEU 32 -9.836 0.681 9.090 254 HD12 LEU 32 HD12 LEU 32 -10.778 0.457 10.563 255 HD13 LEU 32 HD13 LEU 32 -10.287 -0.944 9.610 256 HD21 LEU 32 HD21 LEU 32 -9.177 -1.913 11.726 257 HD22 LEU 32 HD22 LEU 32 -9.704 -0.480 12.610 258 HD23 LEU 32 HD23 LEU 32 -7.998 -0.924 12.588 259 H GLU 33 HN GLU 33 -4.633 0.164 8.766 260 HA GLU 33 HA GLU 33 -3.822 -2.238 7.526 261 HB2 GLU 33 HB2 GLU 33 -2.392 0.433 7.668 262 HB3 GLU 33 HB1 GLU 33 -1.940 -0.885 6.595 263 HG2 GLU 33 HG2 GLU 33 -4.122 -0.724 5.484 264 HG3 GLU 33 HG1 GLU 33 -4.562 0.606 6.555 265 H VAL 34 HN VAL 34 -2.290 -0.301 10.093 266 HA VAL 34 HA VAL 34 -0.009 -1.937 10.441 267 HB VAL 34 HB VAL 34 -1.386 -0.152 12.470 268 HG11 VAL 34 HG11 VAL 34 0.082 -1.768 13.575 269 HG12 VAL 34 HG12 VAL 34 0.762 -0.144 13.661 270 HG13 VAL 34 HG13 VAL 34 1.407 -1.311 12.505 271 HG21 VAL 34 HG21 VAL 34 -0.686 1.074 10.494 272 HG22 VAL 34 HG22 VAL 34 0.931 0.377 10.605 273 HG23 VAL 34 HG23 VAL 34 0.357 1.480 11.858 274 H ILE 35 HN ILE 35 -3.077 -1.839 12.301 275 HA ILE 35 HA ILE 35 -2.533 -3.990 13.998 276 HB ILE 35 HB ILE 35 -5.114 -2.807 13.005 277 HG12 ILE 35 HG12 ILE 35 -5.393 -2.266 15.424 278 HG13 ILE 35 HG11 ILE 35 -3.847 -3.033 15.759 279 HG21 ILE 35 HG21 ILE 35 -5.632 -5.159 13.183 280 HG22 ILE 35 HG22 ILE 35 -6.363 -4.298 14.538 281 HG23 ILE 35 HG23 ILE 35 -4.890 -5.239 14.782 282 HD11 ILE 35 HD11 ILE 35 -4.286 -0.579 14.072 283 HD12 ILE 35 HD12 ILE 35 -2.728 -1.347 14.382 284 HD13 ILE 35 HD13 ILE 35 -3.636 -0.625 15.711 285 H SER 36 HN SER 36 -4.062 -4.017 10.768 286 HA SER 36 HA SER 36 -4.587 -6.768 10.606 287 HB2 SER 36 HB2 SER 36 -5.447 -5.125 8.964 288 HB3 SER 36 HB1 SER 36 -3.814 -4.915 8.329 289 HG SER 36 HG SER 36 -3.974 -6.759 7.294 290 H SER 37 HN SER 37 -1.634 -4.958 9.860 291 HA SER 37 HA SER 37 -0.118 -7.158 8.909 292 HB2 SER 37 HB2 SER 37 0.841 -4.618 10.265 293 HB3 SER 37 HB1 SER 37 1.866 -5.750 9.382 294 HG SER 37 HG SER 37 -0.264 -4.185 8.337 295 H LEU 38 HN LEU 38 -0.484 -5.720 12.127 296 HA LEU 38 HA LEU 38 1.340 -7.395 13.483 297 HB2 LEU 38 HB2 LEU 38 -0.866 -5.562 14.312 298 HB3 LEU 38 HB1 LEU 38 -0.212 -6.662 15.500 299 HG LEU 38 HG LEU 38 1.999 -5.699 15.274 300 HD11 LEU 38 HD11 LEU 38 0.815 -3.829 13.221 301 HD12 LEU 38 HD12 LEU 38 1.933 -5.151 12.885 302 HD13 LEU 38 HD13 LEU 38 2.457 -3.783 13.863 303 HD21 LEU 38 HD21 LEU 38 0.449 -4.666 16.851 304 HD22 LEU 38 HD22 LEU 38 -0.110 -3.563 15.592 305 HD23 LEU 38 HD23 LEU 38 1.555 -3.474 16.168 306 H GLU 39 HN GLU 39 -2.083 -7.801 12.730 307 HA GLU 39 HA GLU 39 -2.661 -9.948 14.440 308 HB2 GLU 39 HB2 GLU 39 -3.757 -9.354 11.676 309 HB3 GLU 39 HB1 GLU 39 -4.421 -10.567 12.764 310 HG2 GLU 39 HG2 GLU 39 -4.935 -8.811 14.401 311 HG3 GLU 39 HG1 GLU 39 -4.285 -7.601 13.297 312 H LYS 40 HN LYS 40 -1.109 -9.903 11.256 313 HA LYS 40 HA LYS 40 -0.796 -12.826 11.330 314 HB2 LYS 40 HB2 LYS 40 -0.205 -10.843 9.121 315 HB3 LYS 40 HB1 LYS 40 -0.051 -12.591 8.988 316 HG2 LYS 40 HG2 LYS 40 -2.451 -12.845 9.373 317 HG3 LYS 40 HG1 LYS 40 -2.616 -11.097 9.540 318 HD2 LYS 40 HD2 LYS 40 -1.906 -10.784 7.235 319 HD3 LYS 40 HD1 LYS 40 -1.636 -12.518 7.058 320 HE2 LYS 40 HE2 LYS 40 -3.755 -11.871 6.046 321 HE3 LYS 40 HE1 LYS 40 -4.030 -12.923 7.434 322 HZ1 LYS 40 HZ1 LYS 40 -4.280 -9.961 7.434 323 HZ2 LYS 40 HZ2 LYS 40 -4.556 -10.972 8.761 324 HZ3 LYS 40 HZ3 LYS 40 -5.563 -11.060 7.409 325 H TYR 41 HN TYR 41 1.042 -9.937 11.851 326 HA TYR 41 HA TYR 41 3.502 -11.526 12.165 327 HB2 TYR 41 HB2 TYR 41 3.341 -8.881 10.692 328 HB3 TYR 41 HB1 TYR 41 4.835 -9.706 11.121 329 HD1 TYR 41 HD1 TYR 41 5.163 -12.095 10.155 330 HD2 TYR 41 HD2 TYR 41 2.331 -9.305 8.626 331 HE1 TYR 41 HE1 TYR 41 5.124 -13.311 8.019 332 HE2 TYR 41 HE2 TYR 41 2.282 -10.519 6.488 333 HH TYR 41 HH TYR 41 3.509 -13.599 6.082 334 HA PRO 42 HA PRO 42 3.111 -8.933 15.936 335 HB2 PRO 42 HB2 PRO 42 4.682 -11.057 17.205 336 HB3 PRO 42 HB1 PRO 42 3.053 -10.496 17.587 337 HG2 PRO 42 HG2 PRO 42 3.534 -12.925 16.475 338 HG3 PRO 42 HG1 PRO 42 2.053 -12.001 16.156 339 HD2 PRO 42 HD2 PRO 42 4.522 -12.268 14.459 340 HD3 PRO 42 HD1 PRO 42 2.812 -12.312 13.974 341 H ILE 43 HN ILE 43 4.582 -7.482 16.759 342 HA ILE 43 HA ILE 43 7.115 -7.149 15.554 343 HB ILE 43 HB ILE 43 5.814 -5.867 17.952 344 HG12 ILE 43 HG12 ILE 43 5.959 -3.832 16.482 345 HG13 ILE 43 HG11 ILE 43 6.595 -4.859 15.202 346 HG21 ILE 43 HG21 ILE 43 8.580 -5.256 16.912 347 HG22 ILE 43 HG22 ILE 43 8.170 -5.912 18.498 348 HG23 ILE 43 HG23 ILE 43 7.687 -4.271 18.072 349 HD11 ILE 43 HD11 ILE 43 4.514 -6.131 15.197 350 HD12 ILE 43 HD12 ILE 43 4.236 -4.415 14.893 351 HD13 ILE 43 HD13 ILE 43 3.883 -5.098 16.481 352 H THR 44 HN THR 44 9.214 -7.411 16.382 353 HA THR 44 HA THR 44 9.567 -9.724 18.058 354 HB THR 44 HB THR 44 11.998 -9.358 17.646 355 HG1 THR 44 HG1 THR 44 12.558 -7.665 16.178 356 HG21 THR 44 HG21 THR 44 10.268 -9.241 15.166 357 HG22 THR 44 HG22 THR 44 10.667 -10.699 16.076 358 HG23 THR 44 HG23 THR 44 11.936 -9.806 15.238 359 H LYS 45 HN LYS 45 11.120 -9.758 19.872 360 HA LYS 45 HA LYS 45 10.195 -7.996 21.875 361 HB2 LYS 45 HB2 LYS 45 11.921 -9.211 23.323 362 HB3 LYS 45 HB1 LYS 45 10.637 -10.165 22.603 363 HG2 LYS 45 HG2 LYS 45 12.561 -11.468 22.349 364 HG3 LYS 45 HG1 LYS 45 12.307 -10.748 20.761 365 HD2 LYS 45 HD2 LYS 45 14.024 -9.076 21.231 366 HD3 LYS 45 HD1 LYS 45 14.246 -9.737 22.852 367 HE2 LYS 45 HE2 LYS 45 16.004 -10.518 21.359 368 HE3 LYS 45 HE1 LYS 45 14.988 -11.865 21.866 369 HZ1 LYS 45 HZ1 LYS 45 14.720 -10.435 19.277 370 HZ2 LYS 45 HZ2 LYS 45 13.875 -11.819 19.754 371 HZ3 LYS 45 HZ3 LYS 45 15.540 -11.895 19.484 372 H GLU 46 HN GLU 46 13.149 -7.951 19.975 373 HA GLU 46 HA GLU 46 14.614 -6.197 21.661 374 HB2 GLU 46 HB2 GLU 46 16.132 -5.872 19.775 375 HB3 GLU 46 HB1 GLU 46 15.752 -7.571 20.000 376 HG2 GLU 46 HG2 GLU 46 14.129 -6.035 18.038 377 HG3 GLU 46 HG1 GLU 46 15.793 -6.423 17.615 378 H ALA 47 HN ALA 47 12.226 -5.628 19.193 379 HA ALA 47 HA ALA 47 12.862 -3.016 18.445 380 HB1 ALA 47 HB1 ALA 47 10.578 -2.865 17.617 381 HB2 ALA 47 HB2 ALA 47 10.143 -4.307 18.536 382 HB3 ALA 47 HB3 ALA 47 11.304 -4.422 17.214 383 H LEU 48 HN LEU 48 11.099 -4.119 21.321 384 HA LEU 48 HA LEU 48 9.691 -1.748 21.866 385 HB2 LEU 48 HB2 LEU 48 10.694 -3.914 23.707 386 HB3 LEU 48 HB1 LEU 48 9.742 -2.560 24.284 387 HG LEU 48 HG LEU 48 7.933 -3.274 22.651 388 HD11 LEU 48 HD11 LEU 48 9.260 -4.661 21.167 389 HD12 LEU 48 HD12 LEU 48 7.967 -5.611 21.900 390 HD13 LEU 48 HD13 LEU 48 9.622 -5.770 22.490 391 HD21 LEU 48 HD21 LEU 48 7.785 -3.689 25.050 392 HD22 LEU 48 HD22 LEU 48 8.691 -5.190 24.862 393 HD23 LEU 48 HD23 LEU 48 7.092 -5.027 24.137 394 H GLU 49 HN GLU 49 12.895 -2.759 23.106 395 HA GLU 49 HA GLU 49 13.394 -0.243 24.387 396 HB2 GLU 49 HB2 GLU 49 15.248 -2.516 23.652 397 HB3 GLU 49 HB1 GLU 49 15.749 -1.100 24.567 398 HG2 GLU 49 HG2 GLU 49 13.584 -3.014 25.431 399 HG3 GLU 49 HG1 GLU 49 15.261 -3.086 25.967 400 H GLU 50 HN GLU 50 14.252 -1.619 21.239 401 HA GLU 50 HA GLU 50 16.200 0.392 20.616 402 HB2 GLU 50 HB2 GLU 50 16.328 -1.890 19.733 403 HB3 GLU 50 HB1 GLU 50 14.830 -1.642 18.845 404 HG2 GLU 50 HG2 GLU 50 15.956 0.155 17.550 405 HG3 GLU 50 HG1 GLU 50 17.459 -0.237 18.385 406 H THR 51 HN THR 51 12.983 -0.306 19.216 407 HA THR 51 HA THR 51 12.994 2.373 17.980 408 HB THR 51 HB THR 51 11.180 1.447 16.494 409 HG1 THR 51 HG1 THR 51 11.819 -1.148 16.808 410 HG21 THR 51 HG21 THR 51 12.710 0.157 15.078 411 HG22 THR 51 HG22 THR 51 13.835 -0.005 16.425 412 HG23 THR 51 HG23 THR 51 13.511 1.584 15.734 413 H ARG 52 HN ARG 52 11.653 0.723 20.558 414 HA ARG 52 HA ARG 52 10.178 1.343 22.151 415 HB2 ARG 52 HB2 ARG 52 10.287 3.978 20.680 416 HB3 ARG 52 HB1 ARG 52 9.452 3.750 22.213 417 HG2 ARG 52 HG2 ARG 52 11.597 3.016 23.222 418 HG3 ARG 52 HG1 ARG 52 12.404 3.383 21.698 419 HD2 ARG 52 HD2 ARG 52 10.881 5.369 23.391 420 HD3 ARG 52 HD1 ARG 52 12.634 5.185 23.368 421 HE ARG 52 HE ARG 52 11.339 5.764 20.827 422 HH11 ARG 52 HH11 ARG 52 13.178 6.898 23.508 423 HH12 ARG 52 HH12 ARG 52 13.629 8.369 22.718 424 HH21 ARG 52 HH21 ARG 52 11.952 7.638 19.807 425 HH22 ARG 52 HH22 ARG 52 12.935 8.784 20.650 426 H LEU 53 HN LEU 53 9.095 -0.054 19.911 427 HA LEU 53 HA LEU 53 6.493 0.887 19.308 428 HB2 LEU 53 HB2 LEU 53 7.825 -1.786 19.261 429 HB3 LEU 53 HB1 LEU 53 6.077 -1.741 19.163 430 HG LEU 53 HG LEU 53 7.104 -1.883 16.942 431 HD11 LEU 53 HD11 LEU 53 5.756 0.774 17.435 432 HD12 LEU 53 HD12 LEU 53 4.942 -0.771 17.185 433 HD13 LEU 53 HD13 LEU 53 5.890 -0.054 15.881 434 HD21 LEU 53 HD21 LEU 53 8.382 -0.019 16.020 435 HD22 LEU 53 HD22 LEU 53 9.198 -0.713 17.417 436 HD23 LEU 53 HD23 LEU 53 8.324 0.809 17.576 437 H GLY 54 HN GLY 54 7.759 0.092 22.291 438 HA2 GLY 54 HA2 GLY 54 5.694 -1.262 23.616 439 HA3 GLY 54 HA1 GLY 54 6.832 -0.166 24.377 440 H LYS 55 HN LYS 55 6.019 2.178 22.855 441 HA LYS 55 HA LYS 55 3.915 3.225 24.364 442 HB2 LYS 55 HB2 LYS 55 5.479 4.631 23.111 443 HB3 LYS 55 HB1 LYS 55 4.855 4.012 21.591 444 HG2 LYS 55 HG2 LYS 55 3.944 6.188 21.930 445 HG3 LYS 55 HG1 LYS 55 2.641 5.019 22.158 446 HD2 LYS 55 HD2 LYS 55 2.871 5.206 24.582 447 HD3 LYS 55 HD1 LYS 55 4.228 6.318 24.384 448 HE2 LYS 55 HE2 LYS 55 2.689 7.879 23.185 449 HE3 LYS 55 HE1 LYS 55 1.356 6.795 23.580 450 HZ1 LYS 55 HZ1 LYS 55 1.521 8.627 25.147 451 HZ2 LYS 55 HZ2 LYS 55 3.097 8.171 25.552 452 HZ3 LYS 55 HZ3 LYS 55 1.802 7.152 25.925 453 H LEU 56 HN LEU 56 3.863 1.432 21.338 454 HA LEU 56 HA LEU 56 1.275 1.961 20.460 455 HB2 LEU 56 HB2 LEU 56 2.990 0.786 19.141 456 HB3 LEU 56 HB1 LEU 56 2.840 -0.610 20.191 457 HG LEU 56 HG LEU 56 0.515 -0.936 19.434 458 HD11 LEU 56 HD11 LEU 56 -0.091 1.355 18.931 459 HD12 LEU 56 HD12 LEU 56 -0.328 0.346 17.506 460 HD13 LEU 56 HD13 LEU 56 1.077 1.407 17.610 461 HD21 LEU 56 HD21 LEU 56 2.337 -2.086 18.278 462 HD22 LEU 56 HD22 LEU 56 2.504 -0.722 17.171 463 HD23 LEU 56 HD23 LEU 56 1.027 -1.686 17.167 464 H ILE 57 HN ILE 57 2.377 -0.246 22.974 465 HA ILE 57 HA ILE 57 0.068 -1.804 23.306 466 HB ILE 57 HB ILE 57 2.043 -0.877 25.410 467 HG12 ILE 57 HG12 ILE 57 1.921 -3.440 23.787 468 HG13 ILE 57 HG11 ILE 57 3.069 -2.127 23.549 469 HG21 ILE 57 HG21 ILE 57 -0.018 -1.645 26.463 470 HG22 ILE 57 HG22 ILE 57 1.284 -2.800 26.738 471 HG23 ILE 57 HG23 ILE 57 0.044 -3.141 25.531 472 HD11 ILE 57 HD11 ILE 57 4.092 -3.970 24.734 473 HD12 ILE 57 HD12 ILE 57 2.860 -3.873 25.994 474 HD13 ILE 57 HD13 ILE 57 4.000 -2.545 25.770 475 H ASN 58 HN ASN 58 0.860 1.410 24.522 476 HA ASN 58 HA ASN 58 -1.454 1.753 26.152 477 HB2 ASN 58 HB2 ASN 58 0.465 3.139 26.564 478 HB3 ASN 58 HB1 ASN 58 0.499 3.696 24.896 479 HD21 ASN 58 HD21 ASN 58 -0.923 5.298 24.242 480 HD22 ASN 58 HD22 ASN 58 -1.840 6.236 25.372 481 H ASP 59 HN ASP 59 -0.617 2.791 22.868 482 HA ASP 59 HA ASP 59 -3.006 4.223 22.376 483 HB2 ASP 59 HB2 ASP 59 -0.762 3.211 20.648 484 HB3 ASP 59 HB1 ASP 59 -2.154 4.027 19.941 485 H VAL 60 HN VAL 60 -2.030 0.918 21.465 486 HA VAL 60 HA VAL 60 -4.211 0.452 19.721 487 HB VAL 60 HB VAL 60 -2.113 -0.894 19.694 488 HG11 VAL 60 HG11 VAL 60 -1.822 -1.204 22.105 489 HG12 VAL 60 HG12 VAL 60 -1.827 -2.751 21.257 490 HG13 VAL 60 HG13 VAL 60 -3.256 -2.231 22.152 491 HG21 VAL 60 HG21 VAL 60 -4.651 -2.513 20.002 492 HG22 VAL 60 HG22 VAL 60 -3.184 -3.036 19.172 493 HG23 VAL 60 HG23 VAL 60 -4.122 -1.685 18.537 494 H ARG 61 HN ARG 61 -3.785 -0.075 23.178 495 HA ARG 61 HA ARG 61 -5.998 -1.663 23.728 496 HB2 ARG 61 HB2 ARG 61 -4.336 -1.248 25.409 497 HB3 ARG 61 HB1 ARG 61 -4.644 0.483 25.371 498 HG2 ARG 61 HG2 ARG 61 -6.815 0.166 26.380 499 HG3 ARG 61 HG1 ARG 61 -6.627 -1.590 26.309 500 HD2 ARG 61 HD2 ARG 61 -4.856 -1.544 27.907 501 HD3 ARG 61 HD1 ARG 61 -4.736 0.214 27.816 502 HE ARG 61 HE ARG 61 -7.243 -0.105 28.680 503 HH11 ARG 61 HH11 ARG 61 -4.311 -1.576 29.742 504 HH12 ARG 61 HH12 ARG 61 -4.829 -1.651 31.391 505 HH21 ARG 61 HH21 ARG 61 -7.887 -0.215 30.788 506 HH22 ARG 61 HH22 ARG 61 -6.825 -0.884 31.977 507 H LYS 62 HN LYS 62 -5.842 1.867 23.339 508 HA LYS 62 HA LYS 62 -8.679 2.182 23.937 509 HB2 LYS 62 HB2 LYS 62 -6.656 4.208 22.950 510 HB3 LYS 62 HB1 LYS 62 -8.281 4.572 23.511 511 HG2 LYS 62 HG2 LYS 62 -7.681 3.785 25.756 512 HG3 LYS 62 HG1 LYS 62 -6.043 3.434 25.186 513 HD2 LYS 62 HD2 LYS 62 -5.768 5.818 24.590 514 HD3 LYS 62 HD1 LYS 62 -7.382 6.149 25.218 515 HE2 LYS 62 HE2 LYS 62 -6.651 5.427 27.449 516 HE3 LYS 62 HE1 LYS 62 -5.034 5.111 26.814 517 HZ1 LYS 62 HZ1 LYS 62 -6.395 7.750 26.894 518 HZ2 LYS 62 HZ2 LYS 62 -4.873 7.465 26.221 519 HZ3 LYS 62 HZ3 LYS 62 -5.111 7.260 27.881 520 H LYS 63 HN LYS 63 -6.581 2.118 21.115 521 HA LYS 63 HA LYS 63 -8.794 3.008 19.384 522 HB2 LYS 63 HB2 LYS 63 -5.802 3.083 18.970 523 HB3 LYS 63 HB1 LYS 63 -6.979 3.560 17.751 524 HG2 LYS 63 HG2 LYS 63 -7.787 5.350 19.166 525 HG3 LYS 63 HG1 LYS 63 -6.736 4.828 20.482 526 HD2 LYS 63 HD2 LYS 63 -5.759 5.798 17.787 527 HD3 LYS 63 HD1 LYS 63 -5.877 6.805 19.230 528 HE2 LYS 63 HE2 LYS 63 -4.299 5.324 20.385 529 HE3 LYS 63 HE1 LYS 63 -4.177 4.324 18.937 530 HZ1 LYS 63 HZ1 LYS 63 -2.332 5.892 19.153 531 HZ2 LYS 63 HZ2 LYS 63 -3.414 7.185 19.109 532 HZ3 LYS 63 HZ3 LYS 63 -3.234 6.191 17.756 533 H THR 64 HN THR 64 -7.956 0.138 20.343 534 HA THR 64 HA THR 64 -7.222 -1.332 18.045 535 HB THR 64 HB THR 64 -7.008 -2.364 20.219 536 HG1 THR 64 HG1 THR 64 -8.288 -4.351 19.741 537 HG21 THR 64 HG21 THR 64 -10.030 -2.266 20.369 538 HG22 THR 64 HG22 THR 64 -8.910 -1.334 21.364 539 HG23 THR 64 HG23 THR 64 -8.973 -3.090 21.517 540 H LYS 65 HN LYS 65 -8.477 -2.796 16.778 541 HA LYS 65 HA LYS 65 -10.728 -1.692 15.552 542 HB2 LYS 65 HB2 LYS 65 -10.964 -3.965 14.478 543 HB3 LYS 65 HB1 LYS 65 -9.372 -3.234 14.333 544 HG2 LYS 65 HG2 LYS 65 -8.653 -4.637 16.297 545 HG3 LYS 65 HG1 LYS 65 -10.202 -5.470 16.178 546 HD2 LYS 65 HD2 LYS 65 -8.163 -5.298 13.949 547 HD3 LYS 65 HD1 LYS 65 -8.336 -6.668 15.046 548 HE2 LYS 65 HE2 LYS 65 -10.630 -7.016 14.246 549 HE3 LYS 65 HE1 LYS 65 -10.457 -5.644 13.150 550 HZ1 LYS 65 HZ1 LYS 65 -10.105 -7.815 12.071 551 HZ2 LYS 65 HZ2 LYS 65 -8.758 -8.081 13.058 552 HZ3 LYS 65 HZ3 LYS 65 -8.756 -6.804 11.953 553 H ASN 66 HN ASN 66 -10.622 -4.504 17.768 554 HA ASN 66 HA ASN 66 -13.374 -3.848 18.613 555 HB2 ASN 66 HB2 ASN 66 -13.292 -5.896 17.157 556 HB3 ASN 66 HB1 ASN 66 -12.258 -6.658 18.359 557 HD21 ASN 66 HD21 ASN 66 -14.851 -7.507 17.425 558 HD22 ASN 66 HD22 ASN 66 -15.887 -7.542 18.806 559 H GLU 67 HN GLU 67 -13.489 -3.418 20.771 560 HA GLU 67 HA GLU 67 -11.244 -3.608 22.474 561 HB2 GLU 67 HB2 GLU 67 -13.039 -1.978 22.857 562 HB3 GLU 67 HB1 GLU 67 -14.156 -3.284 23.241 563 HG2 GLU 67 HG2 GLU 67 -12.801 -3.893 25.179 564 HG3 GLU 67 HG1 GLU 67 -11.650 -2.619 24.786 565 H GLU 68 HN GLU 68 -13.974 -5.784 21.966 566 HA GLU 68 HA GLU 68 -13.449 -7.579 24.098 567 HB2 GLU 68 HB2 GLU 68 -14.667 -8.180 21.386 568 HB3 GLU 68 HB1 GLU 68 -14.799 -9.188 22.823 569 HG2 GLU 68 HG2 GLU 68 -16.068 -7.438 23.952 570 HG3 GLU 68 HG1 GLU 68 -15.900 -6.393 22.541 571 H LEU 69 HN LEU 69 -12.275 -7.383 20.780 572 HA LEU 69 HA LEU 69 -10.753 -9.746 20.706 573 HB2 LEU 69 HB2 LEU 69 -11.410 -8.217 18.779 574 HB3 LEU 69 HB1 LEU 69 -10.081 -7.181 19.254 575 HG LEU 69 HG LEU 69 -9.635 -10.080 18.532 576 HD11 LEU 69 HD11 LEU 69 -10.787 -9.052 16.646 577 HD12 LEU 69 HD12 LEU 69 -9.093 -9.347 16.255 578 HD13 LEU 69 HD13 LEU 69 -9.635 -7.716 16.649 579 HD21 LEU 69 HD21 LEU 69 -7.822 -7.656 18.485 580 HD22 LEU 69 HD22 LEU 69 -7.372 -9.290 17.991 581 HD23 LEU 69 HD23 LEU 69 -7.789 -8.962 19.670 582 H ALA 70 HN ALA 70 -10.056 -6.563 22.023 583 HA ALA 70 HA ALA 70 -7.289 -6.607 22.200 584 HB1 ALA 70 HB1 ALA 70 -9.224 -5.394 24.179 585 HB2 ALA 70 HB2 ALA 70 -8.620 -4.628 22.709 586 HB3 ALA 70 HB3 ALA 70 -7.512 -4.993 24.033 587 H LYS 71 HN LYS 71 -9.628 -8.208 24.307 588 HA LYS 71 HA LYS 71 -7.825 -9.022 26.334 589 HB2 LYS 71 HB2 LYS 71 -10.427 -10.220 25.358 590 HB3 LYS 71 HB1 LYS 71 -9.534 -10.883 26.715 591 HG2 LYS 71 HG2 LYS 71 -11.295 -9.505 27.562 592 HG3 LYS 71 HG1 LYS 71 -9.762 -8.691 27.874 593 HD2 LYS 71 HD2 LYS 71 -10.139 -7.210 25.970 594 HD3 LYS 71 HD1 LYS 71 -11.633 -8.065 25.579 595 HE2 LYS 71 HE2 LYS 71 -12.610 -7.358 27.699 596 HE3 LYS 71 HE1 LYS 71 -11.106 -6.556 28.147 597 HZ1 LYS 71 HZ1 LYS 71 -11.393 -5.053 26.281 598 HZ2 LYS 71 HZ2 LYS 71 -12.737 -4.989 27.302 599 HZ3 LYS 71 HZ3 LYS 71 -12.832 -5.829 25.840 600 H ARG 72 HN ARG 72 -8.829 -10.567 23.295 601 HA ARG 72 HA ARG 72 -7.160 -12.869 23.565 602 HB2 ARG 72 HB2 ARG 72 -9.166 -12.786 22.114 603 HB3 ARG 72 HB1 ARG 72 -8.357 -11.624 21.073 604 HG2 ARG 72 HG2 ARG 72 -6.732 -13.267 20.403 605 HG3 ARG 72 HG1 ARG 72 -7.366 -14.428 21.574 606 HD2 ARG 72 HD2 ARG 72 -8.818 -13.324 19.163 607 HD3 ARG 72 HD1 ARG 72 -8.183 -14.960 19.349 608 HE ARG 72 HE ARG 72 -9.835 -14.921 21.385 609 HH11 ARG 72 HH11 ARG 72 -10.358 -13.664 18.220 610 HH12 ARG 72 HH12 ARG 72 -12.071 -13.870 18.303 611 HH21 ARG 72 HH21 ARG 72 -12.029 -15.181 21.486 612 HH22 ARG 72 HH22 ARG 72 -13.009 -14.733 20.132 613 H ALA 73 HN ALA 73 -6.781 -9.710 22.076 614 HA ALA 73 HA ALA 73 -4.341 -10.052 20.748 615 HB1 ALA 73 HB1 ALA 73 -5.388 -7.532 22.049 616 HB2 ALA 73 HB2 ALA 73 -5.810 -8.098 20.434 617 HB3 ALA 73 HB3 ALA 73 -4.150 -7.625 20.796 618 H LYS 74 HN LYS 74 -5.059 -9.633 24.120 619 HA LYS 74 HA LYS 74 -2.767 -8.455 25.107 620 HB2 LYS 74 HB2 LYS 74 -4.896 -9.073 26.358 621 HB3 LYS 74 HB1 LYS 74 -4.225 -10.690 26.524 622 HG2 LYS 74 HG2 LYS 74 -3.783 -9.485 28.544 623 HG3 LYS 74 HG1 LYS 74 -2.257 -9.697 27.687 624 HD2 LYS 74 HD2 LYS 74 -2.218 -7.465 28.429 625 HD3 LYS 74 HD1 LYS 74 -2.657 -7.356 26.726 626 HE2 LYS 74 HE2 LYS 74 -4.551 -7.193 29.078 627 HE3 LYS 74 HE1 LYS 74 -4.007 -5.845 28.084 628 HZ1 LYS 74 HZ1 LYS 74 -5.095 -6.934 26.172 629 HZ2 LYS 74 HZ2 LYS 74 -6.178 -6.511 27.395 630 HZ3 LYS 74 HZ3 LYS 74 -5.703 -8.120 27.214 631 H LYS 75 HN LYS 75 -3.252 -11.889 24.292 632 HA LYS 75 HA LYS 75 -0.846 -12.870 25.374 633 HB2 LYS 75 HB2 LYS 75 -2.712 -13.838 23.246 634 HB3 LYS 75 HB1 LYS 75 -1.142 -14.613 23.399 635 HG2 LYS 75 HG2 LYS 75 -2.727 -15.882 24.658 636 HG3 LYS 75 HG1 LYS 75 -1.647 -15.072 25.790 637 HD2 LYS 75 HD2 LYS 75 -3.853 -14.878 26.669 638 HD3 LYS 75 HD1 LYS 75 -3.409 -13.288 26.046 639 HE2 LYS 75 HE2 LYS 75 -4.726 -13.642 24.058 640 HE3 LYS 75 HE1 LYS 75 -5.050 -15.312 24.520 641 HZ1 LYS 75 HZ1 LYS 75 -6.193 -14.401 26.519 642 HZ2 LYS 75 HZ2 LYS 75 -6.956 -14.037 25.059 643 HZ3 LYS 75 HZ3 LYS 75 -6.046 -12.854 25.854 644 H LEU 76 HN LEU 76 -1.493 -11.384 22.211 645 HA LEU 76 HA LEU 76 1.067 -11.725 21.086 646 HB2 LEU 76 HB2 LEU 76 -0.983 -9.532 20.726 647 HB3 LEU 76 HB1 LEU 76 0.514 -9.579 19.819 648 HG LEU 76 HG LEU 76 -1.299 -10.434 18.463 649 HD11 LEU 76 HD11 LEU 76 -0.382 -12.622 17.851 650 HD12 LEU 76 HD12 LEU 76 0.559 -12.642 19.342 651 HD13 LEU 76 HD13 LEU 76 0.883 -11.422 18.110 652 HD21 LEU 76 HD21 LEU 76 -1.722 -12.521 20.608 653 HD22 LEU 76 HD22 LEU 76 -2.543 -12.450 19.047 654 HD23 LEU 76 HD23 LEU 76 -2.804 -11.177 20.239 655 H LEU 77 HN LEU 77 -0.258 -9.175 23.154 656 HA LEU 77 HA LEU 77 2.091 -7.626 23.381 657 HB2 LEU 77 HB2 LEU 77 -0.338 -7.912 25.145 658 HB3 LEU 77 HB1 LEU 77 0.986 -6.846 25.571 659 HG LEU 77 HG LEU 77 0.615 -5.533 23.527 660 HD11 LEU 77 HD11 LEU 77 -1.350 -5.911 22.127 661 HD12 LEU 77 HD12 LEU 77 -1.724 -7.377 23.036 662 HD13 LEU 77 HD13 LEU 77 -0.250 -7.290 22.069 663 HD21 LEU 77 HD21 LEU 77 -1.874 -5.945 25.190 664 HD22 LEU 77 HD22 LEU 77 -1.549 -4.549 24.159 665 HD23 LEU 77 HD23 LEU 77 -0.528 -4.865 25.562 666 H ARG 78 HN ARG 78 0.932 -10.429 25.211 667 HA ARG 78 HA ARG 78 2.858 -10.399 27.271 668 HB2 ARG 78 HB2 ARG 78 1.360 -12.706 26.008 669 HB3 ARG 78 HB1 ARG 78 2.392 -12.881 27.420 670 HG2 ARG 78 HG2 ARG 78 -0.053 -11.119 27.256 671 HG3 ARG 78 HG1 ARG 78 0.019 -12.711 28.015 672 HD2 ARG 78 HD2 ARG 78 1.607 -10.275 28.844 673 HD3 ARG 78 HD1 ARG 78 0.189 -10.914 29.675 674 HE ARG 78 HE ARG 78 1.903 -13.019 29.635 675 HH11 ARG 78 HH11 ARG 78 2.188 -9.756 30.713 676 HH12 ARG 78 HH12 ARG 78 3.347 -10.151 31.935 677 HH21 ARG 78 HH21 ARG 78 3.355 -13.509 31.225 678 HH22 ARG 78 HH22 ARG 78 3.968 -12.257 32.249 679 H SER 79 HN SER 79 2.985 -11.593 23.979 680 HA SER 79 HA SER 79 5.448 -12.961 24.081 681 HB2 SER 79 HB2 SER 79 4.240 -11.433 21.752 682 HB3 SER 79 HB1 SER 79 5.520 -12.641 21.637 683 HG SER 79 HG SER 79 2.827 -13.047 22.456 684 H TRP 80 HN TRP 80 4.670 -9.583 24.068 685 HA TRP 80 HA TRP 80 7.445 -8.764 23.650 686 HB2 TRP 80 HB2 TRP 80 4.987 -7.100 24.274 687 HB3 TRP 80 HB1 TRP 80 6.568 -6.470 23.828 688 HD1 TRP 80 HD1 TRP 80 6.629 -9.000 21.477 689 HE1 TRP 80 HE1 TRP 80 5.483 -8.411 19.256 690 HE3 TRP 80 HE3 TRP 80 3.838 -5.015 23.042 691 HZ2 TRP 80 HZ2 TRP 80 3.631 -6.497 18.285 692 HZ3 TRP 80 HZ3 TRP 80 2.413 -3.851 21.409 693 HH2 TRP 80 HH2 TRP 80 2.310 -4.579 19.077 694 H GLN 81 HN GLN 81 5.026 -8.914 26.232 695 HA GLN 81 HA GLN 81 6.472 -7.481 28.193 696 HB2 GLN 81 HB2 GLN 81 4.330 -9.589 28.555 697 HB3 GLN 81 HB1 GLN 81 4.901 -8.502 29.815 698 HG2 GLN 81 HG2 GLN 81 3.513 -7.680 27.265 699 HG3 GLN 81 HG1 GLN 81 2.786 -7.741 28.869 700 HE21 GLN 81 HE21 GLN 81 5.033 -6.055 26.811 701 HE22 GLN 81 HE22 GLN 81 5.168 -4.633 27.781 702 H LYS 82 HN LYS 82 6.789 -10.732 27.045 703 HA LYS 82 HA LYS 82 8.103 -11.898 29.246 704 HB2 LYS 82 HB2 LYS 82 8.928 -13.566 27.695 705 HB3 LYS 82 HB1 LYS 82 7.263 -13.180 27.300 706 HG2 LYS 82 HG2 LYS 82 8.168 -13.230 25.208 707 HG3 LYS 82 HG1 LYS 82 8.383 -11.522 25.586 708 HD2 LYS 82 HD2 LYS 82 10.423 -12.368 24.612 709 HD3 LYS 82 HD1 LYS 82 10.713 -12.030 26.318 710 HE2 LYS 82 HE2 LYS 82 10.288 -14.476 26.768 711 HE3 LYS 82 HE1 LYS 82 10.280 -14.722 25.022 712 HZ1 LYS 82 HZ1 LYS 82 12.443 -15.202 25.734 713 HZ2 LYS 82 HZ2 LYS 82 12.524 -13.843 26.734 714 HZ3 LYS 82 HZ3 LYS 82 12.554 -13.656 25.054 715 H LEU 83 HN LEU 83 9.081 -9.387 27.183 716 HA LEU 83 HA LEU 83 11.905 -9.660 27.315 717 HB2 LEU 83 HB2 LEU 83 10.759 -8.199 25.711 718 HB3 LEU 83 HB1 LEU 83 10.169 -7.199 27.024 719 HG LEU 83 HG LEU 83 12.581 -6.668 27.574 720 HD11 LEU 83 HD11 LEU 83 14.254 -7.028 25.839 721 HD12 LEU 83 HD12 LEU 83 13.082 -7.923 24.873 722 HD13 LEU 83 HD13 LEU 83 13.618 -8.563 26.426 723 HD21 LEU 83 HD21 LEU 83 11.572 -5.847 24.848 724 HD22 LEU 83 HD22 LEU 83 12.789 -4.999 25.805 725 HD23 LEU 83 HD23 LEU 83 11.125 -5.103 26.385 726 H ILE 84 HN ILE 84 9.519 -8.069 29.408 727 HA ILE 84 HA ILE 84 11.643 -7.196 31.240 728 HB ILE 84 HB ILE 84 9.906 -5.878 32.379 729 HG12 ILE 84 HG12 ILE 84 8.040 -6.942 30.231 730 HG13 ILE 84 HG11 ILE 84 7.973 -7.357 31.941 731 HG21 ILE 84 HG21 ILE 84 9.507 -4.251 30.586 732 HG22 ILE 84 HG22 ILE 84 9.957 -5.463 29.386 733 HG23 ILE 84 HG23 ILE 84 11.157 -4.874 30.539 734 HD11 ILE 84 HD11 ILE 84 7.438 -5.040 32.484 735 HD12 ILE 84 HD12 ILE 84 6.272 -5.731 31.356 736 HD13 ILE 84 HD13 ILE 84 7.512 -4.619 30.773 737 H GLU 85 HN GLU 85 9.155 -9.590 30.974 738 HA GLU 85 HA GLU 85 9.569 -10.362 33.797 739 HB2 GLU 85 HB2 GLU 85 7.225 -10.960 31.976 740 HB3 GLU 85 HB1 GLU 85 7.408 -11.577 33.613 741 HG2 GLU 85 HG2 GLU 85 7.419 -9.230 34.434 742 HG3 GLU 85 HG1 GLU 85 7.079 -8.695 32.789 743 HA PRO 86 HA PRO 86 11.567 -14.036 32.233 744 HB2 PRO 86 HB2 PRO 86 11.578 -15.528 34.491 745 HB3 PRO 86 HB1 PRO 86 12.611 -14.107 34.289 746 HG2 PRO 86 HG2 PRO 86 9.991 -14.353 35.733 747 HG3 PRO 86 HG1 PRO 86 11.479 -13.536 36.250 748 HD2 PRO 86 HD2 PRO 86 9.362 -12.203 35.178 749 HD3 PRO 86 HD1 PRO 86 11.041 -11.661 34.975 750 H ALA 87 HN ALA 87 8.322 -13.841 32.907 751 HA ALA 87 HA ALA 87 7.730 -16.693 32.635 752 HB1 ALA 87 HB1 ALA 87 6.484 -15.395 34.302 753 HB2 ALA 87 HB2 ALA 87 5.412 -16.057 33.067 754 HB3 ALA 87 HB3 ALA 87 5.859 -14.350 33.025 755 H HIS 88 HN HIS 88 7.518 -17.559 30.665 756 HA HIS 88 HA HIS 88 5.996 -16.243 28.592 757 HB2 HIS 88 HB2 HIS 88 7.795 -16.274 26.905 758 HB3 HIS 88 HB1 HIS 88 8.175 -15.198 28.242 759 HD1 HIS 88 HD1 HIS 88 9.590 -17.846 26.262 760 HD2 HIS 88 HD2 HIS 88 10.055 -16.489 30.161 761 HE1 HIS 88 HE1 HIS 88 11.770 -18.805 27.051 762 HE2 HIS 88 HE2 HIS 88 11.960 -18.091 29.455 763 H GLN 89 HN GLN 89 5.157 -17.695 27.099 764 HA GLN 89 HA GLN 89 5.222 -20.454 28.014 765 HB2 GLN 89 HB2 GLN 89 3.499 -19.152 25.891 766 HB3 GLN 89 HB1 GLN 89 3.255 -20.750 26.584 767 HG2 GLN 89 HG2 GLN 89 2.891 -19.710 28.790 768 HG3 GLN 89 HG1 GLN 89 3.069 -18.120 28.051 769 HE21 GLN 89 HE21 GLN 89 1.040 -20.905 28.403 770 HE22 GLN 89 HE22 GLN 89 -0.379 -20.210 27.706 771 H HIS 90 HN HIS 90 7.638 -19.917 26.810 772 HA HIS 90 HA HIS 90 9.145 -20.865 25.399 773 HB2 HIS 90 HB2 HIS 90 7.964 -22.963 25.967 774 HB3 HIS 90 HB1 HIS 90 6.866 -22.704 24.616 775 HD1 HIS 90 HD1 HIS 90 7.638 -23.479 22.332 776 HD2 HIS 90 HD2 HIS 90 10.672 -23.582 25.170 777 HE1 HIS 90 HE1 HIS 90 9.536 -24.698 21.243 778 HE2 HIS 90 HE2 HIS 90 11.275 -24.919 23.040 779 H GLU 91 HN GLU 91 6.680 -19.044 24.323 780 HA GLU 91 HA GLU 91 6.045 -18.047 22.384 781 HB2 GLU 91 HB2 GLU 91 8.985 -18.464 21.790 782 HB3 GLU 91 HB1 GLU 91 7.929 -17.414 20.859 783 HG2 GLU 91 HG2 GLU 91 9.182 -16.055 22.361 784 HG3 GLU 91 HG1 GLU 91 7.515 -16.090 22.929 785 H ALA 92 HN ALA 92 4.889 -20.249 22.101 786 HA ALA 92 HA ALA 92 5.861 -21.800 19.818 787 HB1 ALA 92 HB1 ALA 92 4.068 -23.354 20.339 788 HB2 ALA 92 HB2 ALA 92 3.410 -22.234 21.530 789 HB3 ALA 92 HB3 ALA 92 4.988 -22.977 21.797 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 4.527 0.699 -2.374 2 H2 MET 1 HT2 MET 1 5.565 -0.062 -3.470 3 H3 MET 1 HT3 MET 1 5.891 -0.123 -1.813 4 HA MET 1 HA MET 1 3.952 -1.450 -1.405 5 HB2 MET 1 HB2 MET 1 3.531 -1.290 -4.402 6 HB3 MET 1 HB1 MET 1 2.575 -2.258 -3.287 7 HG2 MET 1 HG2 MET 1 1.364 -0.266 -3.844 8 HG3 MET 1 HG1 MET 1 1.858 -0.178 -2.155 9 HE1 MET 1 HE1 MET 1 2.451 1.131 -5.794 10 HE2 MET 1 HE2 MET 1 4.036 0.453 -5.414 11 HE3 MET 1 HE3 MET 1 3.840 2.198 -5.587 12 H THR 2 HN THR 2 6.889 -1.636 -2.392 13 HA THR 2 HA THR 2 6.954 -4.231 -3.701 14 HB THR 2 HB THR 2 9.243 -2.487 -2.741 15 HG1 THR 2 HG1 THR 2 9.322 -1.740 -4.816 16 HG21 THR 2 HG21 THR 2 10.648 -3.872 -4.204 17 HG22 THR 2 HG22 THR 2 9.262 -4.900 -4.572 18 HG23 THR 2 HG23 THR 2 9.908 -4.843 -2.930 19 H ALA 3 HN ALA 3 6.671 -6.010 -2.523 20 HA ALA 3 HA ALA 3 6.951 -7.649 -0.986 21 HB1 ALA 3 HB1 ALA 3 9.025 -7.780 0.264 22 HB2 ALA 3 HB2 ALA 3 9.371 -6.085 -0.082 23 HB3 ALA 3 HB3 ALA 3 9.347 -7.266 -1.394 24 H ALA 4 HN ALA 4 7.402 -7.958 1.552 25 HA ALA 4 HA ALA 4 5.395 -6.336 2.887 26 HB1 ALA 4 HB1 ALA 4 5.613 -7.956 4.707 27 HB2 ALA 4 HB2 ALA 4 7.000 -8.690 3.901 28 HB3 ALA 4 HB3 ALA 4 5.403 -8.773 3.159 29 HA PRO 5 HA PRO 5 8.118 -3.651 5.204 30 HB2 PRO 5 HB2 PRO 5 6.937 -3.693 7.695 31 HB3 PRO 5 HB1 PRO 5 6.355 -2.726 6.337 32 HG2 PRO 5 HG2 PRO 5 5.381 -5.381 7.328 33 HG3 PRO 5 HG1 PRO 5 4.444 -3.982 6.768 34 HD2 PRO 5 HD2 PRO 5 4.853 -6.128 5.194 35 HD3 PRO 5 HD1 PRO 5 4.796 -4.482 4.526 36 H ALA 6 HN ALA 6 7.344 -6.808 6.535 37 HA ALA 6 HA ALA 6 8.532 -8.382 7.650 38 HB1 ALA 6 HB1 ALA 6 10.895 -7.019 6.359 39 HB2 ALA 6 HB2 ALA 6 9.857 -8.224 5.596 40 HB3 ALA 6 HB3 ALA 6 10.848 -8.668 6.986 41 H SER 7 HN SER 7 11.048 -5.879 7.924 42 HA SER 7 HA SER 7 11.607 -6.530 10.630 43 HB2 SER 7 HB2 SER 7 12.426 -4.104 9.009 44 HB3 SER 7 HB1 SER 7 13.101 -4.547 10.574 45 HG SER 7 HG SER 7 13.307 -6.707 9.138 46 HA PRO 8 HA PRO 8 8.297 -4.440 12.817 47 HB2 PRO 8 HB2 PRO 8 10.521 -4.200 14.819 48 HB3 PRO 8 HB1 PRO 8 8.842 -4.707 15.059 49 HG2 PRO 8 HG2 PRO 8 10.768 -6.526 14.949 50 HG3 PRO 8 HG1 PRO 8 9.214 -6.825 14.147 51 HD2 PRO 8 HD2 PRO 8 11.854 -6.096 12.955 52 HD3 PRO 8 HD1 PRO 8 10.569 -7.132 12.305 53 H GLN 9 HN GLN 9 11.547 -3.010 12.571 54 HA GLN 9 HA GLN 9 10.908 -0.409 13.420 55 HB2 GLN 9 HB2 GLN 9 12.902 0.287 12.095 56 HB3 GLN 9 HB1 GLN 9 13.215 -1.085 13.149 57 HG2 GLN 9 HG2 GLN 9 12.933 -2.578 11.175 58 HG3 GLN 9 HG1 GLN 9 12.779 -1.143 10.164 59 HE21 GLN 9 HE21 GLN 9 14.952 -1.463 12.898 60 HE22 GLN 9 HE22 GLN 9 16.409 -1.403 11.977 61 H GLN 10 HN GLN 10 10.819 -1.844 10.178 62 HA GLN 10 HA GLN 10 9.797 0.485 8.883 63 HB2 GLN 10 HB2 GLN 10 9.995 -2.409 8.044 64 HB3 GLN 10 HB1 GLN 10 9.375 -1.140 6.989 65 HG2 GLN 10 HG2 GLN 10 11.450 -0.031 6.913 66 HG3 GLN 10 HG1 GLN 10 12.077 -0.929 8.292 67 HE21 GLN 10 HE21 GLN 10 11.128 -3.488 7.327 68 HE22 GLN 10 HE22 GLN 10 12.178 -3.919 6.034 69 H ILE 11 HN ILE 11 8.315 -2.334 10.396 70 HA ILE 11 HA ILE 11 5.662 -1.935 9.534 71 HB ILE 11 HB ILE 11 6.623 -3.056 12.185 72 HG12 ILE 11 HG12 ILE 11 5.905 -4.450 9.585 73 HG13 ILE 11 HG11 ILE 11 7.527 -4.273 10.244 74 HG21 ILE 11 HG21 ILE 11 4.261 -2.418 12.289 75 HG22 ILE 11 HG22 ILE 11 4.434 -4.172 12.303 76 HG23 ILE 11 HG23 ILE 11 3.935 -3.348 10.826 77 HD11 ILE 11 HD11 ILE 11 6.899 -5.656 12.158 78 HD12 ILE 11 HD12 ILE 11 6.656 -6.502 10.630 79 HD13 ILE 11 HD13 ILE 11 5.274 -5.831 11.496 80 H ARG 12 HN ARG 12 7.523 -0.479 12.150 81 HA ARG 12 HA ARG 12 5.516 0.962 13.459 82 HB2 ARG 12 HB2 ARG 12 7.903 0.716 14.212 83 HB3 ARG 12 HB1 ARG 12 8.360 1.894 12.988 84 HG2 ARG 12 HG2 ARG 12 6.702 3.476 14.135 85 HG3 ARG 12 HG1 ARG 12 6.709 2.318 15.468 86 HD2 ARG 12 HD2 ARG 12 8.324 3.955 16.026 87 HD3 ARG 12 HD1 ARG 12 9.238 2.551 15.477 88 HE ARG 12 HE ARG 12 8.791 5.010 13.914 89 HH11 ARG 12 HH11 ARG 12 10.603 2.134 14.508 90 HH12 ARG 12 HH12 ARG 12 11.872 2.587 13.424 91 HH21 ARG 12 HH21 ARG 12 10.427 5.568 12.531 92 HH22 ARG 12 HH22 ARG 12 11.768 4.494 12.310 93 H ASP 13 HN ASP 13 7.288 1.692 10.490 94 HA ASP 13 HA ASP 13 6.617 4.378 10.168 95 HB2 ASP 13 HB2 ASP 13 8.273 3.192 8.775 96 HB3 ASP 13 HB1 ASP 13 6.975 2.287 8.002 97 H ARG 14 HN ARG 14 4.770 1.482 9.285 98 HA ARG 14 HA ARG 14 2.638 2.745 7.968 99 HB2 ARG 14 HB2 ARG 14 2.898 0.364 7.811 100 HB3 ARG 14 HB1 ARG 14 2.751 0.171 9.552 101 HG2 ARG 14 HG2 ARG 14 0.427 0.661 9.505 102 HG3 ARG 14 HG1 ARG 14 0.513 1.238 7.839 103 HD2 ARG 14 HD2 ARG 14 1.135 -1.612 8.631 104 HD3 ARG 14 HD1 ARG 14 -0.478 -1.072 8.161 105 HE ARG 14 HE ARG 14 0.974 -0.253 6.079 106 HH11 ARG 14 HH11 ARG 14 0.925 -3.310 7.687 107 HH12 ARG 14 HH12 ARG 14 1.346 -4.174 6.251 108 HH21 ARG 14 HH21 ARG 14 1.531 -1.389 4.278 109 HH22 ARG 14 HH22 ARG 14 1.687 -3.109 4.361 110 H LEU 15 HN LEU 15 3.241 2.232 11.406 111 HA LEU 15 HA LEU 15 0.757 3.259 12.344 112 HB2 LEU 15 HB2 LEU 15 2.242 1.942 13.772 113 HB3 LEU 15 HB1 LEU 15 3.475 3.185 13.665 114 HG LEU 15 HG LEU 15 1.840 4.758 14.803 115 HD11 LEU 15 HD11 LEU 15 0.002 3.772 16.059 116 HD12 LEU 15 HD12 LEU 15 0.355 2.192 15.365 117 HD13 LEU 15 HD13 LEU 15 -0.207 3.502 14.330 118 HD21 LEU 15 HD21 LEU 15 2.795 2.318 16.305 119 HD22 LEU 15 HD22 LEU 15 2.278 3.832 17.049 120 HD23 LEU 15 HD23 LEU 15 3.703 3.802 16.011 121 H LEU 16 HN LEU 16 3.911 4.743 11.709 122 HA LEU 16 HA LEU 16 3.430 7.273 12.801 123 HB2 LEU 16 HB2 LEU 16 5.214 6.541 10.471 124 HB3 LEU 16 HB1 LEU 16 5.304 8.036 11.386 125 HG LEU 16 HG LEU 16 5.824 5.271 12.507 126 HD11 LEU 16 HD11 LEU 16 7.554 6.002 10.936 127 HD12 LEU 16 HD12 LEU 16 8.154 5.934 12.592 128 HD13 LEU 16 HD13 LEU 16 7.763 7.491 11.861 129 HD21 LEU 16 HD21 LEU 16 6.149 7.993 13.777 130 HD22 LEU 16 HD22 LEU 16 6.618 6.451 14.496 131 HD23 LEU 16 HD23 LEU 16 4.918 6.798 14.185 132 H GLN 17 HN GLN 17 2.755 6.069 9.532 133 HA GLN 17 HA GLN 17 1.867 8.636 8.576 134 HB2 GLN 17 HB2 GLN 17 1.225 7.440 6.531 135 HB3 GLN 17 HB1 GLN 17 2.863 7.047 7.027 136 HG2 GLN 17 HG2 GLN 17 2.045 4.986 6.417 137 HG3 GLN 17 HG1 GLN 17 1.766 4.977 8.155 138 HE21 GLN 17 HE21 GLN 17 0.108 3.480 8.020 139 HE22 GLN 17 HE22 GLN 17 -1.437 3.850 7.353 140 H ALA 18 HN ALA 18 0.429 6.334 10.556 141 HA ALA 18 HA ALA 18 -2.290 6.773 9.569 142 HB1 ALA 18 HB1 ALA 18 -2.931 5.032 11.153 143 HB2 ALA 18 HB2 ALA 18 -1.286 4.993 11.791 144 HB3 ALA 18 HB3 ALA 18 -1.599 4.500 10.128 145 H ILE 19 HN ILE 19 -0.243 7.782 12.232 146 HA ILE 19 HA ILE 19 -2.519 9.267 13.391 147 HB ILE 19 HB ILE 19 -1.759 8.762 15.674 148 HG12 ILE 19 HG12 ILE 19 0.132 6.785 14.363 149 HG13 ILE 19 HG11 ILE 19 0.618 8.293 15.130 150 HG21 ILE 19 HG21 ILE 19 -2.539 6.436 15.789 151 HG22 ILE 19 HG22 ILE 19 -2.364 6.297 14.041 152 HG23 ILE 19 HG23 ILE 19 -3.543 7.416 14.721 153 HD11 ILE 19 HD11 ILE 19 1.027 6.424 16.601 154 HD12 ILE 19 HD12 ILE 19 -0.663 5.931 16.492 155 HD13 ILE 19 HD13 ILE 19 -0.236 7.453 17.276 156 H ASP 20 HN ASP 20 -1.888 10.988 14.878 157 HA ASP 20 HA ASP 20 0.477 12.442 14.065 158 HB2 ASP 20 HB2 ASP 20 -2.021 13.131 15.113 159 HB3 ASP 20 HB1 ASP 20 -0.909 13.467 16.433 160 HA PRO 21 HA PRO 21 3.272 11.357 17.511 161 HB2 PRO 21 HB2 PRO 21 3.539 14.327 17.779 162 HB3 PRO 21 HB1 PRO 21 4.797 13.088 17.702 163 HG2 PRO 21 HG2 PRO 21 4.293 14.614 15.585 164 HG3 PRO 21 HG1 PRO 21 4.639 12.883 15.386 165 HD2 PRO 21 HD2 PRO 21 2.017 14.324 15.241 166 HD3 PRO 21 HD1 PRO 21 2.603 12.947 14.286 167 H GLN 22 HN GLN 22 0.628 13.612 17.713 168 HA GLN 22 HA GLN 22 0.469 13.658 20.600 169 HB2 GLN 22 HB2 GLN 22 -0.285 15.537 19.143 170 HB3 GLN 22 HB1 GLN 22 -1.552 14.507 18.502 171 HG2 GLN 22 HG2 GLN 22 -2.431 16.046 20.152 172 HG3 GLN 22 HG1 GLN 22 -2.587 14.382 20.709 173 HE21 GLN 22 HE21 GLN 22 -1.397 13.707 22.476 174 HE22 GLN 22 HE22 GLN 22 -0.557 14.810 23.508 175 H SER 23 HN SER 23 -0.025 11.245 18.509 176 HA SER 23 HA SER 23 -0.943 9.185 18.636 177 HB2 SER 23 HB2 SER 23 -1.549 10.048 21.469 178 HB3 SER 23 HB1 SER 23 -1.768 8.405 20.867 179 HG SER 23 HG SER 23 0.249 8.635 21.875 180 H ASN 24 HN ASN 24 -2.738 11.631 18.013 181 HA ASN 24 HA ASN 24 -5.360 10.503 18.596 182 HB2 ASN 24 HB2 ASN 24 -6.247 12.493 17.377 183 HB3 ASN 24 HB1 ASN 24 -5.226 12.902 18.750 184 HD21 ASN 24 HD21 ASN 24 -3.341 13.981 18.405 185 HD22 ASN 24 HD22 ASN 24 -2.868 14.601 16.865 186 H ILE 25 HN ILE 25 -6.845 9.808 17.026 187 HA ILE 25 HA ILE 25 -5.564 8.368 14.864 188 HB ILE 25 HB ILE 25 -8.485 8.388 15.665 189 HG12 ILE 25 HG12 ILE 25 -7.092 7.647 17.536 190 HG13 ILE 25 HG11 ILE 25 -7.977 6.283 16.864 191 HG21 ILE 25 HG21 ILE 25 -6.922 6.441 13.962 192 HG22 ILE 25 HG22 ILE 25 -8.159 7.564 13.397 193 HG23 ILE 25 HG23 ILE 25 -8.599 6.237 14.471 194 HD11 ILE 25 HD11 ILE 25 -5.083 6.927 16.335 195 HD12 ILE 25 HD12 ILE 25 -5.975 5.541 15.701 196 HD13 ILE 25 HD13 ILE 25 -5.690 5.690 17.436 197 H ARG 26 HN ARG 26 -5.020 9.872 13.286 198 HA ARG 26 HA ARG 26 -6.980 11.707 12.205 199 HB2 ARG 26 HB2 ARG 26 -4.160 11.007 11.377 200 HB3 ARG 26 HB1 ARG 26 -5.139 12.217 10.560 201 HG2 ARG 26 HG2 ARG 26 -5.222 13.573 12.544 202 HG3 ARG 26 HG1 ARG 26 -4.402 12.323 13.481 203 HD2 ARG 26 HD2 ARG 26 -2.915 14.186 12.784 204 HD3 ARG 26 HD1 ARG 26 -2.385 12.605 12.208 205 HE ARG 26 HE ARG 26 -3.962 13.797 10.221 206 HH11 ARG 26 HH11 ARG 26 -0.934 14.327 11.770 207 HH12 ARG 26 HH12 ARG 26 -0.203 14.983 10.347 208 HH21 ARG 26 HH21 ARG 26 -3.027 14.668 8.419 209 HH22 ARG 26 HH22 ARG 26 -1.376 15.190 8.474 210 H ASN 27 HN ASN 27 -5.346 8.756 11.079 211 HA ASN 27 HA ASN 27 -7.370 8.559 8.932 212 HB2 ASN 27 HB2 ASN 27 -4.593 7.345 8.963 213 HB3 ASN 27 HB1 ASN 27 -5.758 7.243 7.647 214 HD21 ASN 27 HD21 ASN 27 -3.456 9.232 9.274 215 HD22 ASN 27 HD22 ASN 27 -3.449 10.520 8.124 216 H MET 28 HN MET 28 -8.928 7.354 9.966 217 HA MET 28 HA MET 28 -8.427 5.301 11.817 218 HB2 MET 28 HB2 MET 28 -10.582 6.457 11.650 219 HB3 MET 28 HB1 MET 28 -10.870 5.721 10.080 220 HG2 MET 28 HG2 MET 28 -11.004 3.535 11.067 221 HG3 MET 28 HG1 MET 28 -10.533 4.173 12.641 222 HE1 MET 28 HE1 MET 28 -13.258 4.324 9.811 223 HE2 MET 28 HE2 MET 28 -12.948 6.028 10.154 224 HE3 MET 28 HE3 MET 28 -14.502 5.311 10.578 225 H VAL 29 HN VAL 29 -9.224 5.044 8.327 226 HA VAL 29 HA VAL 29 -9.048 2.286 8.064 227 HB VAL 29 HB VAL 29 -9.777 3.717 6.228 228 HG11 VAL 29 HG11 VAL 29 -8.255 5.588 6.516 229 HG12 VAL 29 HG12 VAL 29 -8.173 4.984 4.862 230 HG13 VAL 29 HG13 VAL 29 -6.891 4.588 6.009 231 HG21 VAL 29 HG21 VAL 29 -8.593 2.606 4.369 232 HG22 VAL 29 HG22 VAL 29 -9.030 1.481 5.654 233 HG23 VAL 29 HG23 VAL 29 -7.365 2.044 5.504 234 H ALA 30 HN ALA 30 -6.435 4.669 8.191 235 HA ALA 30 HA ALA 30 -4.355 2.870 7.457 236 HB1 ALA 30 HB1 ALA 30 -2.828 4.645 8.109 237 HB2 ALA 30 HB2 ALA 30 -4.148 5.510 8.897 238 HB3 ALA 30 HB3 ALA 30 -4.159 5.284 7.147 239 H VAL 31 HN VAL 31 -5.517 4.029 10.643 240 HA VAL 31 HA VAL 31 -3.586 2.598 12.143 241 HB VAL 31 HB VAL 31 -4.934 2.927 14.095 242 HG11 VAL 31 HG11 VAL 31 -3.774 4.888 13.267 243 HG12 VAL 31 HG12 VAL 31 -5.299 5.357 14.021 244 HG13 VAL 31 HG13 VAL 31 -5.160 5.316 12.262 245 HG21 VAL 31 HG21 VAL 31 -7.113 2.235 13.250 246 HG22 VAL 31 HG22 VAL 31 -7.214 3.695 12.266 247 HG23 VAL 31 HG23 VAL 31 -7.224 3.817 14.025 248 H LEU 32 HN LEU 32 -6.805 1.696 10.938 249 HA LEU 32 HA LEU 32 -6.987 -0.873 12.025 250 HB2 LEU 32 HB2 LEU 32 -7.913 0.086 9.309 251 HB3 LEU 32 HB1 LEU 32 -8.412 -1.417 10.064 252 HG LEU 32 HG LEU 32 -9.011 1.370 11.081 253 HD11 LEU 32 HD11 LEU 32 -10.295 0.756 9.093 254 HD12 LEU 32 HD12 LEU 32 -11.321 0.852 10.523 255 HD13 LEU 32 HD13 LEU 32 -10.832 -0.723 9.893 256 HD21 LEU 32 HD21 LEU 32 -8.711 -0.181 12.937 257 HD22 LEU 32 HD22 LEU 32 -9.841 -1.314 12.194 258 HD23 LEU 32 HD23 LEU 32 -10.409 0.258 12.759 259 H GLU 33 HN GLU 33 -5.239 0.275 9.158 260 HA GLU 33 HA GLU 33 -4.298 -2.176 8.177 261 HB2 GLU 33 HB2 GLU 33 -2.862 0.498 8.219 262 HB3 GLU 33 HB1 GLU 33 -2.387 -0.884 7.244 263 HG2 GLU 33 HG2 GLU 33 -4.536 -0.740 6.037 264 HG3 GLU 33 HG1 GLU 33 -4.952 0.683 6.995 265 H VAL 34 HN VAL 34 -2.948 -0.048 10.697 266 HA VAL 34 HA VAL 34 -0.581 -1.478 11.200 267 HB VAL 34 HB VAL 34 -2.205 0.143 13.178 268 HG11 VAL 34 HG11 VAL 34 -0.548 -1.284 14.286 269 HG12 VAL 34 HG12 VAL 34 -0.098 0.417 14.398 270 HG13 VAL 34 HG13 VAL 34 0.715 -0.635 13.241 271 HG21 VAL 34 HG21 VAL 34 -1.647 1.443 11.198 272 HG22 VAL 34 HG22 VAL 34 0.049 0.979 11.350 273 HG23 VAL 34 HG23 VAL 34 -0.703 1.991 12.583 274 H ILE 35 HN ILE 35 -3.719 -1.682 12.931 275 HA ILE 35 HA ILE 35 -2.939 -3.755 14.672 276 HB ILE 35 HB ILE 35 -5.668 -2.875 13.723 277 HG12 ILE 35 HG12 ILE 35 -5.901 -2.195 16.124 278 HG13 ILE 35 HG11 ILE 35 -4.237 -2.694 16.397 279 HG21 ILE 35 HG21 ILE 35 -5.847 -5.264 14.131 280 HG22 ILE 35 HG22 ILE 35 -6.661 -4.370 15.414 281 HG23 ILE 35 HG23 ILE 35 -5.071 -5.079 15.705 282 HD11 ILE 35 HD11 ILE 35 -5.134 -0.492 14.551 283 HD12 ILE 35 HD12 ILE 35 -3.464 -0.977 14.857 284 HD13 ILE 35 HD13 ILE 35 -4.435 -0.290 16.157 285 H SER 36 HN SER 36 -4.614 -3.903 11.522 286 HA SER 36 HA SER 36 -4.916 -6.686 11.357 287 HB2 SER 36 HB2 SER 36 -5.992 -5.123 9.782 288 HB3 SER 36 HB1 SER 36 -4.421 -4.727 9.092 289 HG SER 36 HG SER 36 -6.012 -6.601 8.295 290 H SER 37 HN SER 37 -2.147 -4.632 10.582 291 HA SER 37 HA SER 37 -0.485 -6.677 9.495 292 HB2 SER 37 HB2 SER 37 0.309 -4.073 10.840 293 HB3 SER 37 HB1 SER 37 1.383 -5.099 9.888 294 HG SER 37 HG SER 37 -1.026 -4.040 8.840 295 H LEU 38 HN LEU 38 -0.716 -5.259 12.752 296 HA LEU 38 HA LEU 38 1.334 -6.774 13.943 297 HB2 LEU 38 HB2 LEU 38 -0.923 -5.096 14.916 298 HB3 LEU 38 HB1 LEU 38 -0.195 -6.191 16.071 299 HG LEU 38 HG LEU 38 1.986 -5.136 15.752 300 HD11 LEU 38 HD11 LEU 38 2.242 -3.116 14.410 301 HD12 LEU 38 HD12 LEU 38 0.583 -3.277 13.835 302 HD13 LEU 38 HD13 LEU 38 1.786 -4.493 13.410 303 HD21 LEU 38 HD21 LEU 38 -0.205 -3.130 16.285 304 HD22 LEU 38 HD22 LEU 38 1.484 -2.969 16.762 305 HD23 LEU 38 HD23 LEU 38 0.490 -4.245 17.462 306 H GLU 39 HN GLU 39 -2.088 -7.513 13.470 307 HA GLU 39 HA GLU 39 -2.200 -9.786 15.147 308 HB2 GLU 39 HB2 GLU 39 -3.784 -9.169 12.638 309 HB3 GLU 39 HB1 GLU 39 -4.164 -10.463 13.765 310 HG2 GLU 39 HG2 GLU 39 -4.511 -8.792 15.541 311 HG3 GLU 39 HG1 GLU 39 -4.177 -7.510 14.382 312 H LYS 40 HN LYS 40 -0.994 -9.330 11.887 313 HA LYS 40 HA LYS 40 -0.532 -12.217 11.559 314 HB2 LYS 40 HB2 LYS 40 0.061 -10.026 9.565 315 HB3 LYS 40 HB1 LYS 40 -0.065 -11.753 9.255 316 HG2 LYS 40 HG2 LYS 40 -2.463 -11.665 9.776 317 HG3 LYS 40 HG1 LYS 40 -2.325 -9.928 10.068 318 HD2 LYS 40 HD2 LYS 40 -1.495 -9.679 7.713 319 HD3 LYS 40 HD1 LYS 40 -1.867 -11.386 7.459 320 HE2 LYS 40 HE2 LYS 40 -3.678 -10.016 6.621 321 HE3 LYS 40 HE1 LYS 40 -4.227 -10.926 8.028 322 HZ1 LYS 40 HZ1 LYS 40 -4.003 -8.974 9.381 323 HZ2 LYS 40 HZ2 LYS 40 -4.935 -8.579 8.027 324 HZ3 LYS 40 HZ3 LYS 40 -3.320 -8.099 8.104 325 H TYR 41 HN TYR 41 1.142 -9.342 12.415 326 HA TYR 41 HA TYR 41 3.737 -10.728 12.277 327 HB2 TYR 41 HB2 TYR 41 3.257 -7.871 11.373 328 HB3 TYR 41 HB1 TYR 41 4.830 -8.650 11.493 329 HD1 TYR 41 HD1 TYR 41 5.400 -10.518 9.920 330 HD2 TYR 41 HD2 TYR 41 1.861 -8.188 9.466 331 HE1 TYR 41 HE1 TYR 41 5.202 -11.280 7.590 332 HE2 TYR 41 HE2 TYR 41 1.656 -8.949 7.139 333 HH TYR 41 HH TYR 41 3.038 -9.835 5.363 334 HA PRO 42 HA PRO 42 3.463 -8.864 16.458 335 HB2 PRO 42 HB2 PRO 42 5.211 -11.067 17.258 336 HB3 PRO 42 HB1 PRO 42 3.578 -10.689 17.809 337 HG2 PRO 42 HG2 PRO 42 4.157 -12.858 16.271 338 HG3 PRO 42 HG1 PRO 42 2.592 -12.025 16.223 339 HD2 PRO 42 HD2 PRO 42 4.913 -11.808 14.329 340 HD3 PRO 42 HD1 PRO 42 3.172 -11.885 13.974 341 H ILE 43 HN ILE 43 4.849 -7.296 17.076 342 HA ILE 43 HA ILE 43 7.434 -7.021 15.884 343 HB ILE 43 HB ILE 43 6.013 -5.450 18.040 344 HG12 ILE 43 HG12 ILE 43 6.098 -3.643 16.307 345 HG13 ILE 43 HG11 ILE 43 6.826 -4.789 15.189 346 HG21 ILE 43 HG21 ILE 43 7.850 -3.833 17.996 347 HG22 ILE 43 HG22 ILE 43 8.765 -4.895 16.926 348 HG23 ILE 43 HG23 ILE 43 8.392 -5.406 18.572 349 HD11 ILE 43 HD11 ILE 43 4.803 -6.139 15.246 350 HD12 ILE 43 HD12 ILE 43 4.454 -4.479 14.765 351 HD13 ILE 43 HD13 ILE 43 4.080 -5.018 16.402 352 H THR 44 HN THR 44 9.320 -7.789 16.570 353 HA THR 44 HA THR 44 9.346 -9.684 18.700 354 HB THR 44 HB THR 44 11.764 -8.703 17.174 355 HG1 THR 44 HG1 THR 44 11.090 -9.812 15.473 356 HG21 THR 44 HG21 THR 44 12.571 -10.994 17.530 357 HG22 THR 44 HG22 THR 44 11.090 -11.386 18.405 358 HG23 THR 44 HG23 THR 44 12.222 -10.207 19.072 359 H LYS 45 HN LYS 45 11.060 -9.768 20.360 360 HA LYS 45 HA LYS 45 10.551 -7.846 22.266 361 HB2 LYS 45 HB2 LYS 45 12.499 -8.950 23.491 362 HB3 LYS 45 HB1 LYS 45 11.208 -10.013 22.937 363 HG2 LYS 45 HG2 LYS 45 12.537 -10.642 20.987 364 HG3 LYS 45 HG1 LYS 45 13.827 -9.557 21.504 365 HD2 LYS 45 HD2 LYS 45 14.231 -10.898 23.470 366 HD3 LYS 45 HD1 LYS 45 12.834 -11.918 23.108 367 HE2 LYS 45 HE2 LYS 45 14.970 -12.977 22.455 368 HE3 LYS 45 HE1 LYS 45 13.897 -12.721 21.080 369 HZ1 LYS 45 HZ1 LYS 45 16.205 -10.998 21.818 370 HZ2 LYS 45 HZ2 LYS 45 15.180 -10.746 20.496 371 HZ3 LYS 45 HZ3 LYS 45 16.175 -12.113 20.549 372 H GLU 46 HN GLU 46 13.618 -8.117 20.378 373 HA GLU 46 HA GLU 46 14.872 -5.992 21.795 374 HB2 GLU 46 HB2 GLU 46 16.658 -6.094 20.172 375 HB3 GLU 46 HB1 GLU 46 16.181 -7.720 20.624 376 HG2 GLU 46 HG2 GLU 46 15.400 -6.304 18.080 377 HG3 GLU 46 HG1 GLU 46 16.672 -7.512 18.236 378 H ALA 47 HN ALA 47 12.885 -6.090 18.920 379 HA ALA 47 HA ALA 47 13.382 -3.543 17.879 380 HB1 ALA 47 HB1 ALA 47 11.190 -3.724 16.813 381 HB2 ALA 47 HB2 ALA 47 10.779 -5.072 17.876 382 HB3 ALA 47 HB3 ALA 47 12.084 -5.242 16.701 383 H LEU 48 HN LEU 48 11.259 -4.526 20.558 384 HA LEU 48 HA LEU 48 9.980 -2.052 20.982 385 HB2 LEU 48 HB2 LEU 48 10.665 -4.306 22.865 386 HB3 LEU 48 HB1 LEU 48 9.876 -2.850 23.438 387 HG LEU 48 HG LEU 48 8.015 -3.308 21.802 388 HD11 LEU 48 HD11 LEU 48 9.388 -5.981 21.536 389 HD12 LEU 48 HD12 LEU 48 9.223 -4.766 20.267 390 HD13 LEU 48 HD13 LEU 48 7.790 -5.565 20.912 391 HD21 LEU 48 HD21 LEU 48 7.799 -3.827 24.171 392 HD22 LEU 48 HD22 LEU 48 8.546 -5.405 23.910 393 HD23 LEU 48 HD23 LEU 48 6.977 -5.040 23.187 394 H GLU 49 HN GLU 49 13.044 -3.310 22.286 395 HA GLU 49 HA GLU 49 13.607 -1.040 23.887 396 HB2 GLU 49 HB2 GLU 49 15.219 -3.352 22.876 397 HB3 GLU 49 HB1 GLU 49 16.043 -1.999 23.642 398 HG2 GLU 49 HG2 GLU 49 13.826 -3.605 24.909 399 HG3 GLU 49 HG1 GLU 49 15.549 -3.858 25.191 400 H GLU 50 HN GLU 50 14.441 -1.853 20.553 401 HA GLU 50 HA GLU 50 16.283 0.337 20.265 402 HB2 GLU 50 HB2 GLU 50 16.571 -1.747 19.017 403 HB3 GLU 50 HB1 GLU 50 15.042 -1.482 18.189 404 HG2 GLU 50 HG2 GLU 50 15.923 0.462 17.071 405 HG3 GLU 50 HG1 GLU 50 17.421 0.361 17.996 406 H THR 51 HN THR 51 13.034 -0.307 18.870 407 HA THR 51 HA THR 51 12.957 2.499 17.964 408 HB THR 51 HB THR 51 11.075 1.774 16.487 409 HG1 THR 51 HG1 THR 51 11.838 -0.867 17.257 410 HG21 THR 51 HG21 THR 51 12.477 0.531 14.897 411 HG22 THR 51 HG22 THR 51 13.657 0.235 16.174 412 HG23 THR 51 HG23 THR 51 13.352 1.881 15.618 413 H ARG 52 HN ARG 52 11.861 0.705 20.510 414 HA ARG 52 HA ARG 52 10.600 1.267 22.293 415 HB2 ARG 52 HB2 ARG 52 10.143 3.927 20.938 416 HB3 ARG 52 HB1 ARG 52 9.934 3.563 22.646 417 HG2 ARG 52 HG2 ARG 52 12.507 3.710 21.090 418 HG3 ARG 52 HG1 ARG 52 11.986 4.731 22.427 419 HD2 ARG 52 HD2 ARG 52 12.711 1.800 22.576 420 HD3 ARG 52 HD1 ARG 52 13.668 3.151 23.179 421 HE ARG 52 HE ARG 52 11.247 3.341 24.464 422 HH11 ARG 52 HH11 ARG 52 13.749 0.986 24.226 423 HH12 ARG 52 HH12 ARG 52 13.408 0.302 25.775 424 HH21 ARG 52 HH21 ARG 52 10.826 2.468 26.466 425 HH22 ARG 52 HH22 ARG 52 11.782 1.140 27.030 426 H LEU 53 HN LEU 53 9.301 -0.213 20.281 427 HA LEU 53 HA LEU 53 6.709 0.672 19.671 428 HB2 LEU 53 HB2 LEU 53 8.023 -1.991 19.831 429 HB3 LEU 53 HB1 LEU 53 6.271 -1.973 19.829 430 HG LEU 53 HG LEU 53 7.180 -2.312 17.574 431 HD11 LEU 53 HD11 LEU 53 5.820 0.363 17.896 432 HD12 LEU 53 HD12 LEU 53 5.017 -1.205 17.834 433 HD13 LEU 53 HD13 LEU 53 5.880 -0.603 16.420 434 HD21 LEU 53 HD21 LEU 53 9.271 -1.078 17.833 435 HD22 LEU 53 HD22 LEU 53 8.374 0.439 17.899 436 HD23 LEU 53 HD23 LEU 53 8.368 -0.526 16.423 437 H GLY 54 HN GLY 54 7.967 -0.052 22.751 438 HA2 GLY 54 HA2 GLY 54 5.708 -0.976 24.140 439 HA3 GLY 54 HA1 GLY 54 6.967 0.041 24.827 440 H LYS 55 HN LYS 55 6.557 2.230 22.996 441 HA LYS 55 HA LYS 55 4.573 3.768 24.242 442 HB2 LYS 55 HB2 LYS 55 6.458 4.681 22.917 443 HB3 LYS 55 HB1 LYS 55 5.725 4.053 21.448 444 HG2 LYS 55 HG2 LYS 55 5.275 6.390 21.571 445 HG3 LYS 55 HG1 LYS 55 3.763 5.530 21.865 446 HD2 LYS 55 HD2 LYS 55 4.040 5.868 24.281 447 HD3 LYS 55 HD1 LYS 55 5.559 6.719 23.990 448 HE2 LYS 55 HE2 LYS 55 4.352 8.433 22.718 449 HE3 LYS 55 HE1 LYS 55 2.835 7.579 23.004 450 HZ1 LYS 55 HZ1 LYS 55 3.140 7.934 25.381 451 HZ2 LYS 55 HZ2 LYS 55 3.103 9.402 24.544 452 HZ3 LYS 55 HZ3 LYS 55 4.577 8.780 25.090 453 H LEU 56 HN LEU 56 4.474 1.866 21.250 454 HA LEU 56 HA LEU 56 1.862 2.513 20.431 455 HB2 LEU 56 HB2 LEU 56 3.415 1.521 18.897 456 HB3 LEU 56 HB1 LEU 56 3.613 0.108 19.909 457 HG LEU 56 HG LEU 56 0.904 0.686 18.738 458 HD11 LEU 56 HD11 LEU 56 2.419 0.898 16.843 459 HD12 LEU 56 HD12 LEU 56 1.490 -0.596 16.733 460 HD13 LEU 56 HD13 LEU 56 3.175 -0.642 17.253 461 HD21 LEU 56 HD21 LEU 56 1.146 -1.153 20.353 462 HD22 LEU 56 HD22 LEU 56 2.382 -1.887 19.331 463 HD23 LEU 56 HD23 LEU 56 0.722 -1.752 18.749 464 H ILE 57 HN ILE 57 3.052 0.063 22.679 465 HA ILE 57 HA ILE 57 0.804 -1.607 22.777 466 HB ILE 57 HB ILE 57 2.788 -1.005 24.986 467 HG12 ILE 57 HG12 ILE 57 2.738 -3.224 22.918 468 HG13 ILE 57 HG11 ILE 57 3.835 -1.848 22.919 469 HG21 ILE 57 HG21 ILE 57 0.770 -2.037 25.888 470 HG22 ILE 57 HG22 ILE 57 2.122 -3.168 25.941 471 HG23 ILE 57 HG23 ILE 57 0.883 -3.333 24.697 472 HD11 ILE 57 HD11 ILE 57 4.829 -2.635 25.000 473 HD12 ILE 57 HD12 ILE 57 4.916 -3.863 23.738 474 HD13 ILE 57 HD13 ILE 57 3.716 -4.004 25.019 475 H ASN 58 HN ASN 58 1.535 1.326 24.619 476 HA ASN 58 HA ASN 58 -0.619 1.214 26.433 477 HB2 ASN 58 HB2 ASN 58 1.183 2.719 26.874 478 HB3 ASN 58 HB1 ASN 58 0.999 3.510 25.312 479 HD21 ASN 58 HD21 ASN 58 -0.654 5.027 25.037 480 HD22 ASN 58 HD22 ASN 58 -1.519 5.695 26.375 481 H ASP 59 HN ASP 59 -0.335 2.925 23.313 482 HA ASP 59 HA ASP 59 -2.975 3.994 23.455 483 HB2 ASP 59 HB2 ASP 59 -0.969 3.863 21.203 484 HB3 ASP 59 HB1 ASP 59 -2.502 4.732 21.106 485 H VAL 60 HN VAL 60 -1.575 1.230 21.704 486 HA VAL 60 HA VAL 60 -3.736 0.790 19.965 487 HB VAL 60 HB VAL 60 -1.485 -0.234 19.685 488 HG11 VAL 60 HG11 VAL 60 -1.094 -0.970 21.977 489 HG12 VAL 60 HG12 VAL 60 -0.942 -2.317 20.851 490 HG13 VAL 60 HG13 VAL 60 -2.396 -2.151 21.835 491 HG21 VAL 60 HG21 VAL 60 -3.782 -2.200 19.658 492 HG22 VAL 60 HG22 VAL 60 -2.281 -2.345 18.740 493 HG23 VAL 60 HG23 VAL 60 -3.406 -1.031 18.391 494 H ARG 61 HN ARG 61 -3.223 -0.329 23.277 495 HA ARG 61 HA ARG 61 -5.226 -2.290 23.381 496 HB2 ARG 61 HB2 ARG 61 -3.549 -2.072 25.124 497 HB3 ARG 61 HB1 ARG 61 -4.163 -0.484 25.566 498 HG2 ARG 61 HG2 ARG 61 -6.212 -1.443 26.394 499 HG3 ARG 61 HG1 ARG 61 -5.747 -3.041 25.806 500 HD2 ARG 61 HD2 ARG 61 -5.402 -2.772 28.245 501 HD3 ARG 61 HD1 ARG 61 -3.912 -3.137 27.376 502 HE ARG 61 HE ARG 61 -4.296 -0.330 27.713 503 HH11 ARG 61 HH11 ARG 61 -3.286 -3.171 29.378 504 HH12 ARG 61 HH12 ARG 61 -2.189 -2.318 30.405 505 HH21 ARG 61 HH21 ARG 61 -2.904 0.765 29.062 506 HH22 ARG 61 HH22 ARG 61 -1.981 -0.115 30.232 507 H LYS 62 HN LYS 62 -5.439 1.212 23.885 508 HA LYS 62 HA LYS 62 -8.294 1.074 24.453 509 HB2 LYS 62 HB2 LYS 62 -6.846 2.640 25.688 510 HB3 LYS 62 HB1 LYS 62 -6.434 3.453 24.189 511 HG2 LYS 62 HG2 LYS 62 -9.306 3.280 25.001 512 HG3 LYS 62 HG1 LYS 62 -8.248 4.431 25.814 513 HD2 LYS 62 HD2 LYS 62 -7.654 5.396 23.611 514 HD3 LYS 62 HD1 LYS 62 -8.780 4.278 22.840 515 HE2 LYS 62 HE2 LYS 62 -9.520 6.366 24.895 516 HE3 LYS 62 HE1 LYS 62 -9.752 6.521 23.154 517 HZ1 LYS 62 HZ1 LYS 62 -11.225 4.592 23.236 518 HZ2 LYS 62 HZ2 LYS 62 -11.787 5.839 24.224 519 HZ3 LYS 62 HZ3 LYS 62 -11.028 4.497 24.911 520 H LYS 63 HN LYS 63 -6.184 1.914 21.773 521 HA LYS 63 HA LYS 63 -8.428 3.048 20.249 522 HB2 LYS 63 HB2 LYS 63 -5.436 3.217 19.865 523 HB3 LYS 63 HB1 LYS 63 -6.606 3.902 18.740 524 HG2 LYS 63 HG2 LYS 63 -7.316 5.525 20.257 525 HG3 LYS 63 HG1 LYS 63 -6.694 4.637 21.647 526 HD2 LYS 63 HD2 LYS 63 -4.387 5.130 20.889 527 HD3 LYS 63 HD1 LYS 63 -5.054 6.069 19.548 528 HE2 LYS 63 HE2 LYS 63 -6.069 7.634 21.070 529 HE3 LYS 63 HE1 LYS 63 -5.623 6.644 22.459 530 HZ1 LYS 63 HZ1 LYS 63 -3.658 7.896 20.632 531 HZ2 LYS 63 HZ2 LYS 63 -3.338 7.129 22.101 532 HZ3 LYS 63 HZ3 LYS 63 -4.172 8.599 22.076 533 H THR 64 HN THR 64 -7.512 0.079 20.640 534 HA THR 64 HA THR 64 -7.048 -0.946 18.028 535 HB THR 64 HB THR 64 -6.526 -2.322 19.960 536 HG1 THR 64 HG1 THR 64 -7.360 -4.222 19.150 537 HG21 THR 64 HG21 THR 64 -9.504 -2.403 20.485 538 HG22 THR 64 HG22 THR 64 -8.312 -1.554 21.468 539 HG23 THR 64 HG23 THR 64 -8.273 -3.313 21.361 540 H LYS 65 HN LYS 65 -8.574 -2.424 16.887 541 HA LYS 65 HA LYS 65 -10.818 -1.197 15.886 542 HB2 LYS 65 HB2 LYS 65 -10.350 -4.183 16.156 543 HB3 LYS 65 HB1 LYS 65 -11.523 -3.438 15.078 544 HG2 LYS 65 HG2 LYS 65 -9.721 -2.348 13.844 545 HG3 LYS 65 HG1 LYS 65 -8.532 -3.056 14.939 546 HD2 LYS 65 HD2 LYS 65 -10.419 -4.631 13.169 547 HD3 LYS 65 HD1 LYS 65 -8.734 -4.282 12.787 548 HE2 LYS 65 HE2 LYS 65 -8.078 -5.478 14.879 549 HE3 LYS 65 HE1 LYS 65 -9.767 -5.921 15.106 550 HZ1 LYS 65 HZ1 LYS 65 -8.318 -7.634 14.018 551 HZ2 LYS 65 HZ2 LYS 65 -8.245 -6.627 12.661 552 HZ3 LYS 65 HZ3 LYS 65 -9.730 -7.249 13.175 553 H ASN 66 HN ASN 66 -10.886 -3.817 18.319 554 HA ASN 66 HA ASN 66 -13.468 -2.762 19.306 555 HB2 ASN 66 HB2 ASN 66 -13.681 -4.901 17.986 556 HB3 ASN 66 HB1 ASN 66 -12.684 -5.691 19.201 557 HD21 ASN 66 HD21 ASN 66 -15.357 -6.347 18.450 558 HD22 ASN 66 HD22 ASN 66 -16.338 -6.164 19.860 559 H GLU 67 HN GLU 67 -13.497 -2.316 21.474 560 HA GLU 67 HA GLU 67 -11.158 -2.500 23.027 561 HB2 GLU 67 HB2 GLU 67 -12.972 -0.843 23.416 562 HB3 GLU 67 HB1 GLU 67 -13.987 -2.134 24.047 563 HG2 GLU 67 HG2 GLU 67 -12.475 -2.495 25.889 564 HG3 GLU 67 HG1 GLU 67 -11.322 -1.345 25.218 565 H GLU 68 HN GLU 68 -13.946 -4.671 22.797 566 HA GLU 68 HA GLU 68 -13.231 -6.467 24.852 567 HB2 GLU 68 HB2 GLU 68 -14.649 -6.980 22.224 568 HB3 GLU 68 HB1 GLU 68 -14.489 -8.180 23.499 569 HG2 GLU 68 HG2 GLU 68 -15.737 -6.697 25.022 570 HG3 GLU 68 HG1 GLU 68 -15.940 -5.544 23.701 571 H LEU 69 HN LEU 69 -12.204 -6.209 21.497 572 HA LEU 69 HA LEU 69 -10.725 -8.581 21.282 573 HB2 LEU 69 HB2 LEU 69 -11.446 -7.019 19.427 574 HB3 LEU 69 HB1 LEU 69 -10.117 -5.973 19.877 575 HG LEU 69 HG LEU 69 -9.619 -8.843 19.081 576 HD11 LEU 69 HD11 LEU 69 -9.279 -8.112 16.783 577 HD12 LEU 69 HD12 LEU 69 -9.788 -6.477 17.206 578 HD13 LEU 69 HD13 LEU 69 -10.941 -7.810 17.288 579 HD21 LEU 69 HD21 LEU 69 -7.428 -7.950 18.406 580 HD22 LEU 69 HD22 LEU 69 -7.754 -7.661 20.112 581 HD23 LEU 69 HD23 LEU 69 -7.916 -6.344 18.951 582 H ALA 70 HN ALA 70 -9.872 -5.431 22.615 583 HA ALA 70 HA ALA 70 -7.103 -5.676 22.785 584 HB1 ALA 70 HB1 ALA 70 -8.919 -4.349 24.796 585 HB2 ALA 70 HB2 ALA 70 -8.355 -3.620 23.292 586 HB3 ALA 70 HB3 ALA 70 -7.198 -4.029 24.561 587 H LYS 71 HN LYS 71 -9.590 -6.980 24.960 588 HA LYS 71 HA LYS 71 -7.844 -7.962 26.962 589 HB2 LYS 71 HB2 LYS 71 -10.617 -8.804 26.106 590 HB3 LYS 71 HB1 LYS 71 -9.771 -9.589 27.430 591 HG2 LYS 71 HG2 LYS 71 -11.256 -7.974 28.359 592 HG3 LYS 71 HG1 LYS 71 -9.612 -7.372 28.564 593 HD2 LYS 71 HD2 LYS 71 -9.915 -5.913 26.600 594 HD3 LYS 71 HD1 LYS 71 -11.564 -6.514 26.418 595 HE2 LYS 71 HE2 LYS 71 -12.117 -5.625 28.648 596 HE3 LYS 71 HE1 LYS 71 -10.474 -5.001 28.797 597 HZ1 LYS 71 HZ1 LYS 71 -10.888 -3.603 26.853 598 HZ2 LYS 71 HZ2 LYS 71 -11.983 -3.269 28.097 599 HZ3 LYS 71 HZ3 LYS 71 -12.476 -4.183 26.760 600 H ARG 72 HN ARG 72 -9.042 -9.344 23.959 601 HA ARG 72 HA ARG 72 -7.772 -11.889 24.215 602 HB2 ARG 72 HB2 ARG 72 -9.704 -11.399 22.709 603 HB3 ARG 72 HB1 ARG 72 -8.639 -10.424 21.706 604 HG2 ARG 72 HG2 ARG 72 -7.302 -12.418 21.196 605 HG3 ARG 72 HG1 ARG 72 -8.385 -13.391 22.199 606 HD2 ARG 72 HD2 ARG 72 -9.087 -11.892 19.674 607 HD3 ARG 72 HD1 ARG 72 -9.029 -13.643 19.890 608 HE ARG 72 HE ARG 72 -10.910 -13.305 21.513 609 HH11 ARG 72 HH11 ARG 72 -10.386 -11.085 18.927 610 HH12 ARG 72 HH12 ARG 72 -12.026 -10.539 18.922 611 HH21 ARG 72 HH21 ARG 72 -13.008 -12.609 21.486 612 HH22 ARG 72 HH22 ARG 72 -13.495 -11.406 20.342 613 H ALA 73 HN ALA 73 -6.857 -8.792 22.820 614 HA ALA 73 HA ALA 73 -4.469 -9.532 21.541 615 HB1 ALA 73 HB1 ALA 73 -3.890 -7.156 21.640 616 HB2 ALA 73 HB2 ALA 73 -5.188 -6.881 22.803 617 HB3 ALA 73 HB3 ALA 73 -5.570 -7.382 21.156 618 H LYS 74 HN LYS 74 -5.210 -8.806 24.884 619 HA LYS 74 HA LYS 74 -2.709 -8.411 25.996 620 HB2 LYS 74 HB2 LYS 74 -5.068 -8.405 27.075 621 HB3 LYS 74 HB1 LYS 74 -4.815 -10.122 27.328 622 HG2 LYS 74 HG2 LYS 74 -2.930 -8.018 28.374 623 HG3 LYS 74 HG1 LYS 74 -4.324 -8.598 29.283 624 HD2 LYS 74 HD2 LYS 74 -3.378 -10.923 29.064 625 HD3 LYS 74 HD1 LYS 74 -1.922 -10.194 28.381 626 HE2 LYS 74 HE2 LYS 74 -3.066 -9.701 31.132 627 HE3 LYS 74 HE1 LYS 74 -1.618 -10.629 30.749 628 HZ1 LYS 74 HZ1 LYS 74 -1.019 -8.444 31.497 629 HZ2 LYS 74 HZ2 LYS 74 -1.997 -7.713 30.333 630 HZ3 LYS 74 HZ3 LYS 74 -0.629 -8.583 29.858 631 H LYS 75 HN LYS 75 -4.272 -11.461 25.068 632 HA LYS 75 HA LYS 75 -2.379 -13.307 25.971 633 HB2 LYS 75 HB2 LYS 75 -4.031 -13.326 23.432 634 HB3 LYS 75 HB1 LYS 75 -3.127 -14.709 24.023 635 HG2 LYS 75 HG2 LYS 75 -5.287 -13.366 25.636 636 HG3 LYS 75 HG1 LYS 75 -5.601 -14.694 24.514 637 HD2 LYS 75 HD2 LYS 75 -3.946 -16.070 25.780 638 HD3 LYS 75 HD1 LYS 75 -3.816 -14.759 26.954 639 HE2 LYS 75 HE2 LYS 75 -6.143 -14.988 27.546 640 HE3 LYS 75 HE1 LYS 75 -6.397 -16.163 26.254 641 HZ1 LYS 75 HZ1 LYS 75 -4.780 -17.620 27.403 642 HZ2 LYS 75 HZ2 LYS 75 -6.182 -17.331 28.298 643 HZ3 LYS 75 HZ3 LYS 75 -4.747 -16.528 28.694 644 H LEU 76 HN LEU 76 -2.442 -11.497 22.901 645 HA LEU 76 HA LEU 76 -0.037 -12.585 21.836 646 HB2 LEU 76 HB2 LEU 76 -1.734 -11.573 20.415 647 HB3 LEU 76 HB1 LEU 76 -1.517 -10.025 21.204 648 HG LEU 76 HG LEU 76 0.799 -9.917 20.290 649 HD11 LEU 76 HD11 LEU 76 -0.014 -12.402 18.778 650 HD12 LEU 76 HD12 LEU 76 1.220 -12.305 20.037 651 HD13 LEU 76 HD13 LEU 76 1.453 -11.459 18.507 652 HD21 LEU 76 HD21 LEU 76 -1.038 -8.802 19.135 653 HD22 LEU 76 HD22 LEU 76 -1.386 -10.277 18.232 654 HD23 LEU 76 HD23 LEU 76 0.139 -9.428 17.981 655 H LEU 77 HN LEU 77 -0.748 -9.634 23.653 656 HA LEU 77 HA LEU 77 1.716 -8.355 23.486 657 HB2 LEU 77 HB2 LEU 77 -0.536 -8.282 25.442 658 HB3 LEU 77 HB1 LEU 77 0.970 -7.508 25.893 659 HG LEU 77 HG LEU 77 0.834 -6.020 23.970 660 HD11 LEU 77 HD11 LEU 77 -1.754 -7.413 23.294 661 HD12 LEU 77 HD12 LEU 77 -0.249 -7.527 22.381 662 HD13 LEU 77 HD13 LEU 77 -1.099 -5.986 22.492 663 HD21 LEU 77 HD21 LEU 77 -1.750 -6.117 25.526 664 HD22 LEU 77 HD22 LEU 77 -1.141 -4.728 24.625 665 HD23 LEU 77 HD23 LEU 77 -0.257 -5.325 26.029 666 H ARG 78 HN ARG 78 0.778 -11.064 25.505 667 HA ARG 78 HA ARG 78 2.773 -10.989 27.452 668 HB2 ARG 78 HB2 ARG 78 1.601 -13.460 26.145 669 HB3 ARG 78 HB1 ARG 78 2.397 -13.395 27.716 670 HG2 ARG 78 HG2 ARG 78 0.637 -12.016 28.613 671 HG3 ARG 78 HG1 ARG 78 -0.117 -11.879 27.027 672 HD2 ARG 78 HD2 ARG 78 -0.366 -14.417 27.099 673 HD3 ARG 78 HD1 ARG 78 0.058 -14.298 28.810 674 HE ARG 78 HE ARG 78 -2.128 -12.620 27.881 675 HH11 ARG 78 HH11 ARG 78 -1.185 -15.529 29.458 676 HH12 ARG 78 HH12 ARG 78 -2.732 -15.748 30.198 677 HH21 ARG 78 HH21 ARG 78 -4.121 -12.926 28.818 678 HH22 ARG 78 HH22 ARG 78 -4.357 -14.282 29.866 679 H SER 79 HN SER 79 2.972 -12.170 24.110 680 HA SER 79 HA SER 79 5.592 -13.269 24.313 681 HB2 SER 79 HB2 SER 79 4.070 -13.828 22.445 682 HB3 SER 79 HB1 SER 79 4.199 -12.173 21.850 683 HG SER 79 HG SER 79 6.587 -12.690 21.850 684 H TRP 80 HN TRP 80 4.388 -10.023 23.829 685 HA TRP 80 HA TRP 80 6.941 -8.860 23.151 686 HB2 TRP 80 HB2 TRP 80 4.432 -7.528 24.225 687 HB3 TRP 80 HB1 TRP 80 5.817 -6.701 23.526 688 HD1 TRP 80 HD1 TRP 80 4.053 -9.781 21.950 689 HE1 TRP 80 HE1 TRP 80 3.104 -9.068 19.670 690 HE3 TRP 80 HE3 TRP 80 5.164 -4.789 22.123 691 HZ2 TRP 80 HZ2 TRP 80 2.853 -6.712 18.146 692 HZ3 TRP 80 HZ3 TRP 80 4.531 -3.375 20.211 693 HH2 TRP 80 HH2 TRP 80 3.400 -4.319 18.264 694 H GLN 81 HN GLN 81 4.938 -9.107 26.057 695 HA GLN 81 HA GLN 81 6.599 -7.737 27.856 696 HB2 GLN 81 HB2 GLN 81 4.619 -9.968 28.366 697 HB3 GLN 81 HB1 GLN 81 5.343 -8.969 29.620 698 HG2 GLN 81 HG2 GLN 81 3.607 -7.949 27.372 699 HG3 GLN 81 HG1 GLN 81 3.070 -8.251 29.025 700 HE21 GLN 81 HE21 GLN 81 4.956 -6.168 26.962 701 HE22 GLN 81 HE22 GLN 81 5.144 -4.886 28.104 702 H LYS 82 HN LYS 82 6.947 -10.827 26.420 703 HA LYS 82 HA LYS 82 8.471 -12.229 28.289 704 HB2 LYS 82 HB2 LYS 82 7.624 -13.336 26.358 705 HB3 LYS 82 HB1 LYS 82 8.414 -12.216 25.267 706 HG2 LYS 82 HG2 LYS 82 10.134 -13.902 27.023 707 HG3 LYS 82 HG1 LYS 82 9.310 -14.674 25.669 708 HD2 LYS 82 HD2 LYS 82 10.302 -12.878 24.186 709 HD3 LYS 82 HD1 LYS 82 11.281 -12.384 25.568 710 HE2 LYS 82 HE2 LYS 82 11.287 -15.137 24.321 711 HE3 LYS 82 HE1 LYS 82 12.487 -13.885 24.016 712 HZ1 LYS 82 HZ1 LYS 82 13.162 -13.972 26.304 713 HZ2 LYS 82 HZ2 LYS 82 13.210 -15.536 25.663 714 HZ3 LYS 82 HZ3 LYS 82 11.943 -15.080 26.685 715 H LEU 83 HN LEU 83 9.275 -9.396 26.536 716 HA LEU 83 HA LEU 83 12.114 -9.590 26.589 717 HB2 LEU 83 HB2 LEU 83 10.948 -8.028 25.131 718 HB3 LEU 83 HB1 LEU 83 10.270 -7.196 26.517 719 HG LEU 83 HG LEU 83 12.590 -6.518 27.179 720 HD11 LEU 83 HD11 LEU 83 14.389 -6.700 25.537 721 HD12 LEU 83 HD12 LEU 83 13.342 -7.646 24.481 722 HD13 LEU 83 HD13 LEU 83 13.831 -8.292 26.047 723 HD21 LEU 83 HD21 LEU 83 11.711 -5.654 24.421 724 HD22 LEU 83 HD22 LEU 83 12.803 -4.770 25.488 725 HD23 LEU 83 HD23 LEU 83 11.117 -5.000 25.947 726 H ILE 84 HN ILE 84 9.734 -8.276 28.897 727 HA ILE 84 HA ILE 84 11.946 -7.626 30.733 728 HB ILE 84 HB ILE 84 10.211 -6.216 31.960 729 HG12 ILE 84 HG12 ILE 84 8.401 -5.351 30.296 730 HG13 ILE 84 HG11 ILE 84 8.662 -6.869 29.447 731 HG21 ILE 84 HG21 ILE 84 10.487 -4.327 30.385 732 HG22 ILE 84 HG22 ILE 84 11.065 -5.460 29.161 733 HG23 ILE 84 HG23 ILE 84 11.982 -5.225 30.651 734 HD11 ILE 84 HD11 ILE 84 6.741 -6.961 30.937 735 HD12 ILE 84 HD12 ILE 84 7.779 -6.594 32.314 736 HD13 ILE 84 HD13 ILE 84 7.989 -8.105 31.428 737 H GLU 85 HN GLU 85 9.224 -9.746 30.434 738 HA GLU 85 HA GLU 85 9.826 -10.810 33.112 739 HB2 GLU 85 HB2 GLU 85 7.472 -11.165 33.609 740 HB3 GLU 85 HB1 GLU 85 7.760 -9.463 33.288 741 HG2 GLU 85 HG2 GLU 85 6.800 -9.659 31.087 742 HG3 GLU 85 HG1 GLU 85 6.634 -11.404 31.278 743 HA PRO 86 HA PRO 86 9.859 -14.788 31.163 744 HB2 PRO 86 HB2 PRO 86 8.446 -16.039 33.417 745 HB3 PRO 86 HB1 PRO 86 10.124 -16.225 32.902 746 HG2 PRO 86 HG2 PRO 86 9.463 -14.923 35.168 747 HG3 PRO 86 HG1 PRO 86 10.852 -14.440 34.174 748 HD2 PRO 86 HD2 PRO 86 8.101 -13.235 34.292 749 HD3 PRO 86 HD1 PRO 86 9.685 -12.427 34.260 750 H ALA 87 HN ALA 87 7.489 -13.255 30.393 751 HA ALA 87 HA ALA 87 5.211 -15.044 30.521 752 HB1 ALA 87 HB1 ALA 87 4.900 -12.621 30.607 753 HB2 ALA 87 HB2 ALA 87 4.061 -13.323 29.222 754 HB3 ALA 87 HB3 ALA 87 5.588 -12.468 28.989 755 H HIS 88 HN HIS 88 7.474 -16.237 29.233 756 HA HIS 88 HA HIS 88 7.047 -16.035 26.367 757 HB2 HIS 88 HB2 HIS 88 8.973 -17.587 26.169 758 HB3 HIS 88 HB1 HIS 88 9.338 -16.137 27.095 759 HD1 HIS 88 HD1 HIS 88 9.538 -19.770 27.237 760 HD2 HIS 88 HD2 HIS 88 9.467 -16.640 29.966 761 HE1 HIS 88 HE1 HIS 88 10.408 -20.732 29.387 762 HE2 HIS 88 HE2 HIS 88 10.506 -18.776 30.971 763 H GLN 89 HN GLN 89 6.593 -18.499 28.887 764 HA GLN 89 HA GLN 89 5.660 -20.567 28.886 765 HB2 GLN 89 HB2 GLN 89 3.774 -19.120 27.021 766 HB3 GLN 89 HB1 GLN 89 3.458 -20.729 27.651 767 HG2 GLN 89 HG2 GLN 89 2.250 -19.198 28.992 768 HG3 GLN 89 HG1 GLN 89 3.608 -19.770 29.960 769 HE21 GLN 89 HE21 GLN 89 2.212 -17.060 28.300 770 HE22 GLN 89 HE22 GLN 89 3.259 -15.860 28.964 771 H HIS 90 HN HIS 90 4.887 -19.899 25.472 772 HA HIS 90 HA HIS 90 5.835 -22.557 24.764 773 HB2 HIS 90 HB2 HIS 90 4.818 -22.138 22.580 774 HB3 HIS 90 HB1 HIS 90 3.690 -21.765 23.875 775 HD1 HIS 90 HD1 HIS 90 5.232 -20.338 20.893 776 HD2 HIS 90 HD2 HIS 90 3.383 -18.894 24.320 777 HE1 HIS 90 HE1 HIS 90 4.628 -17.963 20.380 778 HE2 HIS 90 HE2 HIS 90 3.271 -17.217 22.359 779 H GLU 91 HN GLU 91 7.153 -19.410 24.725 780 HA GLU 91 HA GLU 91 8.995 -19.881 22.541 781 HB2 GLU 91 HB2 GLU 91 8.946 -17.719 24.662 782 HB3 GLU 91 HB1 GLU 91 10.062 -17.761 23.305 783 HG2 GLU 91 HG2 GLU 91 7.059 -17.572 23.091 784 HG3 GLU 91 HG1 GLU 91 8.186 -16.226 22.936 785 H ALA 92 HN ALA 92 10.526 -21.381 22.783 786 HA ALA 92 HA ALA 92 11.887 -21.648 25.394 787 HB1 ALA 92 HB1 ALA 92 11.566 -23.725 23.224 788 HB2 ALA 92 HB2 ALA 92 10.636 -23.640 24.719 789 HB3 ALA 92 HB3 ALA 92 12.369 -23.961 24.777
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