NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588087 | 2mni | 19893 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 1.281 -15.532 -22.593 2 H2 GLY 1 2HT GLY 1 2.941 -15.768 -22.387 3 H3 GLY 1 3HT GLY 1 1.840 -16.774 -21.592 4 HA2 GLY 1 1HA GLY 1 2.230 -16.611 -24.526 5 HA3 GLY 1 2HA GLY 1 2.815 -17.904 -23.487 6 H SER 2 H SER 2 1.511 -19.163 -25.091 7 HA SER 2 HA SER 2 -1.361 -18.987 -24.846 8 HB2 SER 2 2HB SER 2 -1.172 -21.085 -26.363 9 HB3 SER 2 1HB SER 2 -0.681 -19.525 -27.021 10 HG SER 2 HG SER 2 0.865 -21.743 -26.319 11 H ALA 3 H ALA 3 -0.480 -19.425 -22.375 12 HA ALA 3 HA ALA 3 -1.515 -22.078 -21.799 13 HB1 ALA 3 1HB ALA 3 0.308 -22.668 -20.306 14 HB2 ALA 3 2HB ALA 3 1.146 -21.169 -20.704 15 HB3 ALA 3 3HB ALA 3 0.919 -22.406 -21.939 16 H MET 4 H MET 4 -3.264 -20.671 -21.167 17 HA MET 4 HA MET 4 -2.819 -18.774 -19.030 18 HB2 MET 4 2HB MET 4 -5.374 -19.652 -20.385 19 HB3 MET 4 1HB MET 4 -5.241 -18.336 -19.229 20 HG2 MET 4 2HG MET 4 -3.799 -17.114 -20.746 21 HG3 MET 4 1HG MET 4 -3.853 -18.449 -21.896 22 HE1 MET 4 3HE MET 4 -5.876 -15.622 -20.113 23 HE2 MET 4 1HE MET 4 -6.839 -17.040 -19.706 24 HE3 MET 4 2HE MET 4 -7.488 -15.819 -20.801 25 H GLY 5 H GLY 5 -1.991 -20.899 -17.859 26 HA2 GLY 5 2HA GLY 5 -4.055 -22.439 -16.577 27 HA3 GLY 5 1HA GLY 5 -2.345 -22.435 -16.161 28 H HIS 6 H HIS 6 -1.546 -20.842 -14.748 29 HA HIS 6 HA HIS 6 -3.426 -18.973 -13.550 30 HB2 HIS 6 2HB HIS 6 -2.003 -21.125 -11.982 31 HB3 HIS 6 1HB HIS 6 -2.568 -19.642 -11.232 32 HD1 HIS 6 1HD HIS 6 -5.160 -19.327 -11.034 33 HD2 HIS 6 2HD HIS 6 -3.959 -23.018 -12.528 34 HE1 HIS 6 1HE HIS 6 -7.186 -20.807 -10.894 35 HE2 HIS 6 2HE HIS 6 -6.460 -23.010 -11.878 36 H MET 7 H MET 7 -2.444 -17.093 -12.985 37 HA MET 7 HA MET 7 0.481 -17.011 -13.215 38 HB2 MET 7 2HB MET 7 -0.818 -15.473 -14.677 39 HB3 MET 7 1HB MET 7 -1.485 -14.711 -13.241 40 HG2 MET 7 2HG MET 7 0.699 -13.948 -12.573 41 HG3 MET 7 1HG MET 7 1.447 -14.821 -13.909 42 HE1 MET 7 3HE MET 7 -1.296 -11.145 -14.420 43 HE2 MET 7 1HE MET 7 -0.843 -11.830 -12.861 44 HE3 MET 7 2HE MET 7 -1.907 -12.727 -13.942 45 HA PRO 8 HA PRO 8 0.059 -17.016 -8.753 46 HB2 PRO 8 2HB PRO 8 2.654 -17.488 -8.184 47 HB3 PRO 8 1HB PRO 8 1.565 -18.744 -8.780 48 HG2 PRO 8 2HG PRO 8 3.587 -17.126 -10.279 49 HG3 PRO 8 1HG PRO 8 3.246 -18.863 -10.384 50 HD2 PRO 8 2HD PRO 8 2.300 -17.061 -12.183 51 HD3 PRO 8 1HD PRO 8 1.432 -18.551 -11.762 52 H ALA 9 H ALA 9 1.727 -14.763 -10.672 53 HA ALA 9 HA ALA 9 2.797 -13.244 -8.449 54 HB1 ALA 9 1HB ALA 9 4.024 -13.309 -10.566 55 HB2 ALA 9 2HB ALA 9 3.546 -11.662 -10.154 56 HB3 ALA 9 3HB ALA 9 2.654 -12.557 -11.384 57 H VAL 10 H VAL 10 1.408 -12.197 -7.218 58 HA VAL 10 HA VAL 10 -0.999 -11.050 -8.450 59 HB VAL 10 HB VAL 10 -0.416 -11.533 -5.521 60 HG11 VAL 10 1HG1 VAL 10 -2.971 -10.742 -6.915 61 HG12 VAL 10 2HG1 VAL 10 -1.985 -9.707 -5.883 62 HG13 VAL 10 3HG1 VAL 10 -2.804 -11.109 -5.197 63 HG21 VAL 10 3HG2 VAL 10 -0.600 -13.635 -6.735 64 HG22 VAL 10 1HG2 VAL 10 -2.128 -13.109 -7.441 65 HG23 VAL 10 2HG2 VAL 10 -2.011 -13.389 -5.703 66 H ASP 11 H ASP 11 -0.949 -8.978 -8.899 67 HA ASP 11 HA ASP 11 0.615 -7.168 -7.183 68 HB2 ASP 11 2HB ASP 11 -0.339 -6.871 -10.042 69 HB3 ASP 11 1HB ASP 11 0.315 -5.533 -9.107 70 H VAL 12 H VAL 12 -0.565 -6.080 -5.753 71 HA VAL 12 HA VAL 12 -3.379 -5.509 -6.430 72 HB VAL 12 HB VAL 12 -2.163 -5.586 -3.664 73 HG11 VAL 12 1HG1 VAL 12 -4.062 -4.149 -3.716 74 HG12 VAL 12 2HG1 VAL 12 -4.574 -5.672 -2.988 75 HG13 VAL 12 3HG1 VAL 12 -4.989 -5.314 -4.662 76 HG21 VAL 12 3HG2 VAL 12 -2.141 -7.821 -4.630 77 HG22 VAL 12 1HG2 VAL 12 -3.843 -7.669 -5.061 78 HG23 VAL 12 2HG2 VAL 12 -3.364 -7.708 -3.364 79 H GLU 13 H GLU 13 -3.840 -3.435 -6.828 80 HA GLU 13 HA GLU 13 -1.759 -1.480 -6.193 81 HB2 GLU 13 2HB GLU 13 -4.009 -1.259 -8.197 82 HB3 GLU 13 1HB GLU 13 -2.673 -0.131 -7.993 83 HG2 GLU 13 2HG GLU 13 -1.126 -2.026 -8.566 84 HG3 GLU 13 1HG GLU 13 -2.556 -2.957 -8.998 85 H ILE 14 H ILE 14 -2.103 -0.333 -4.474 86 HA ILE 14 HA ILE 14 -4.845 0.198 -3.601 87 HB ILE 14 HB ILE 14 -2.404 0.944 -2.011 88 HG12 ILE 14 2HG1 ILE 14 -3.729 -1.788 -2.067 89 HG13 ILE 14 1HG1 ILE 14 -2.101 -1.427 -2.625 90 HG21 ILE 14 1HG2 ILE 14 -5.223 0.145 -1.287 91 HG22 ILE 14 2HG2 ILE 14 -4.551 1.775 -1.262 92 HG23 ILE 14 3HG2 ILE 14 -3.956 0.558 -0.134 93 HD11 ILE 14 3HD1 ILE 14 -2.061 -2.487 -0.441 94 HD12 ILE 14 1HD1 ILE 14 -3.087 -1.213 0.217 95 HD13 ILE 14 2HD1 ILE 14 -1.456 -0.833 -0.337 96 H HIS 15 H HIS 15 -5.460 2.371 -3.034 97 HA HIS 15 HA HIS 15 -3.786 4.419 -4.319 98 HB2 HIS 15 2HB HIS 15 -6.801 4.191 -4.351 99 HB3 HIS 15 1HB HIS 15 -5.908 5.599 -4.916 100 HD1 HIS 15 1HD HIS 15 -7.160 2.348 -5.996 101 HD2 HIS 15 2HD HIS 15 -4.214 5.011 -7.225 102 HE1 HIS 15 1HE HIS 15 -6.542 1.642 -8.328 103 HE2 HIS 15 2HE HIS 15 -4.893 3.378 -9.114 104 H PHE 16 H PHE 16 -3.180 6.014 -3.057 105 HA PHE 16 HA PHE 16 -4.655 6.485 -0.541 106 HB2 PHE 16 2HB PHE 16 -1.711 6.678 -1.173 107 HB3 PHE 16 1HB PHE 16 -2.413 7.481 0.219 108 HD1 PHE 16 2HD PHE 16 -4.048 4.396 -0.466 109 HD2 PHE 16 1HD PHE 16 -0.602 6.094 1.352 110 HE1 PHE 16 2HE PHE 16 -3.756 2.364 0.884 111 HE2 PHE 16 1HE PHE 16 -0.307 4.064 2.702 112 HZ PHE 16 HZ PHE 16 -1.886 2.194 2.469 113 HA PRO 17 HA PRO 17 -5.332 10.629 -2.241 114 HB2 PRO 17 2HB PRO 17 -5.989 11.129 0.612 115 HB3 PRO 17 1HB PRO 17 -6.925 11.511 -0.837 116 HG2 PRO 17 2HG PRO 17 -7.652 9.500 0.746 117 HG3 PRO 17 1HG PRO 17 -7.775 9.363 -1.018 118 HD2 PRO 17 2HD PRO 17 -5.722 8.212 0.833 119 HD3 PRO 17 1HD PRO 17 -6.486 7.483 -0.595 120 H LEU 18 H LEU 18 -3.446 11.579 -2.620 121 HA LEU 18 HA LEU 18 -1.132 11.405 -1.146 122 HB2 LEU 18 2HB LEU 18 -1.420 12.118 -3.545 123 HB3 LEU 18 1HB LEU 18 -1.850 13.709 -2.956 124 HG LEU 18 HG LEU 18 0.793 12.496 -2.206 125 HD11 LEU 18 1HD1 LEU 18 1.783 13.567 -4.173 126 HD12 LEU 18 2HD1 LEU 18 0.172 13.989 -4.752 127 HD13 LEU 18 3HD1 LEU 18 0.647 12.297 -4.627 128 HD21 LEU 18 3HD2 LEU 18 1.475 14.839 -2.105 129 HD22 LEU 18 1HD2 LEU 18 0.081 14.544 -1.068 130 HD23 LEU 18 2HD2 LEU 18 -0.133 15.340 -2.627 131 H LYS 19 H LYS 19 -3.680 13.805 -0.854 132 HA LYS 19 HA LYS 19 -2.145 15.647 0.683 133 HB2 LYS 19 2HB LYS 19 -5.107 15.341 0.251 134 HB3 LYS 19 1HB LYS 19 -4.443 16.560 1.324 135 HG2 LYS 19 2HG LYS 19 -4.791 17.699 -0.661 136 HG3 LYS 19 1HG LYS 19 -3.070 17.319 -0.700 137 HD2 LYS 19 2HD LYS 19 -3.421 15.543 -2.250 138 HD3 LYS 19 1HD LYS 19 -5.169 15.622 -2.037 139 HE2 LYS 19 2HE LYS 19 -3.457 17.813 -3.191 140 HE3 LYS 19 1HE LYS 19 -4.368 16.637 -4.131 141 HZ1 LYS 19 3HZ LYS 19 -6.410 17.464 -3.051 142 HZ2 LYS 19 1HZ LYS 19 -5.617 18.668 -3.947 143 HZ3 LYS 19 2HZ LYS 19 -5.495 18.651 -2.261 144 H ARG 20 H ARG 20 -4.235 12.937 1.510 145 HA ARG 20 HA ARG 20 -4.290 13.731 4.302 146 HB2 ARG 20 2HB ARG 20 -5.597 11.490 2.786 147 HB3 ARG 20 1HB ARG 20 -5.640 11.574 4.539 148 HG2 ARG 20 2HG ARG 20 -7.665 12.495 3.806 149 HG3 ARG 20 1HG ARG 20 -6.667 13.868 4.275 150 HD2 ARG 20 2HD ARG 20 -6.451 14.614 2.130 151 HD3 ARG 20 1HD ARG 20 -6.577 12.995 1.440 152 HE ARG 20 HE ARG 20 -9.031 13.215 2.208 153 HH11 ARG 20 1HH1 ARG 20 -7.078 15.878 1.009 154 HH12 ARG 20 2HH1 ARG 20 -8.417 16.705 0.289 155 HH21 ARG 20 1HH2 ARG 20 -10.800 14.335 1.294 156 HH22 ARG 20 2HH2 ARG 20 -10.538 15.842 0.479 157 H ILE 21 H ILE 21 -2.834 11.228 2.286 158 HA ILE 21 HA ILE 21 -1.784 9.697 4.422 159 HB ILE 21 HB ILE 21 -1.916 8.822 2.124 160 HG12 ILE 21 2HG1 ILE 21 0.328 7.749 2.066 161 HG13 ILE 21 1HG1 ILE 21 0.876 8.893 3.285 162 HG21 ILE 21 1HG2 ILE 21 -0.132 9.474 0.496 163 HG22 ILE 21 2HG2 ILE 21 0.259 10.823 1.563 164 HG23 ILE 21 3HG2 ILE 21 -1.334 10.723 0.816 165 HD11 ILE 21 3HD1 ILE 21 -1.337 6.886 3.648 166 HD12 ILE 21 1HD1 ILE 21 -0.725 7.999 4.872 167 HD13 ILE 21 2HD1 ILE 21 0.315 6.721 4.244 168 H ALA 22 H ALA 22 -0.898 12.695 2.990 169 HA ALA 22 HA ALA 22 1.742 12.714 4.235 170 HB1 ALA 22 1HB ALA 22 2.107 14.777 3.016 171 HB2 ALA 22 2HB ALA 22 0.426 14.786 2.485 172 HB3 ALA 22 3HB ALA 22 1.522 13.523 1.925 173 H ALA 23 H ALA 23 -0.843 12.828 5.759 174 HA ALA 23 HA ALA 23 -0.251 15.284 7.256 175 HB1 ALA 23 1HB ALA 23 -3.025 14.352 6.518 176 HB2 ALA 23 2HB ALA 23 -2.188 15.747 5.833 177 HB3 ALA 23 3HB ALA 23 -2.630 15.734 7.540 178 H GLU 24 H GLU 24 -1.391 15.240 9.417 179 HA GLU 24 HA GLU 24 -1.227 12.545 10.559 180 HB2 GLU 24 2HB GLU 24 -0.094 14.853 11.447 181 HB3 GLU 24 1HB GLU 24 -1.609 14.884 12.337 182 HG2 GLU 24 2HG GLU 24 0.453 12.689 12.383 183 HG3 GLU 24 1HG GLU 24 0.124 13.853 13.664 184 H GLY 25 H GLY 25 -2.995 11.652 11.613 185 HA2 GLY 25 2HA GLY 25 -5.284 11.491 12.153 186 HA3 GLY 25 1HA GLY 25 -5.536 13.094 11.465 187 H TYR 26 H TYR 26 -3.697 10.703 9.805 188 HA TYR 26 HA TYR 26 -5.154 10.949 7.421 189 HB2 TYR 26 2HB TYR 26 -3.774 8.946 6.699 190 HB3 TYR 26 1HB TYR 26 -2.862 10.341 7.267 191 HD1 TYR 26 2HD TYR 26 -3.881 6.892 8.042 192 HD2 TYR 26 1HD TYR 26 -1.584 10.239 9.313 193 HE1 TYR 26 2HE TYR 26 -2.711 5.466 9.670 194 HE2 TYR 26 1HE TYR 26 -0.408 8.822 10.938 195 HH TYR 26 HH TYR 26 -0.821 6.705 12.176 196 H ALA 27 H ALA 27 -5.464 8.774 10.119 197 HA ALA 27 HA ALA 27 -6.920 6.739 8.766 198 HB1 ALA 27 1HB ALA 27 -5.690 6.332 10.851 199 HB2 ALA 27 2HB ALA 27 -7.382 5.847 10.970 200 HB3 ALA 27 3HB ALA 27 -6.841 7.351 11.713 201 H GLU 28 H GLU 28 -7.779 9.859 9.516 202 HA GLU 28 HA GLU 28 -10.596 9.248 9.926 203 HB2 GLU 28 2HB GLU 28 -9.112 11.870 9.788 204 HB3 GLU 28 1HB GLU 28 -10.854 11.738 9.997 205 HG2 GLU 28 2HG GLU 28 -10.411 10.390 12.058 206 HG3 GLU 28 1HG GLU 28 -8.706 10.801 11.874 207 H ASP 29 H ASP 29 -8.501 9.585 7.335 208 HA ASP 29 HA ASP 29 -10.396 10.824 5.542 209 HB2 ASP 29 2HB ASP 29 -8.002 11.124 5.120 210 HB3 ASP 29 1HB ASP 29 -7.809 9.384 4.913 211 H GLU 30 H GLU 30 -11.996 9.839 4.599 212 HA GLU 30 HA GLU 30 -12.654 7.220 5.436 213 HB2 GLU 30 2HB GLU 30 -14.307 9.010 5.081 214 HB3 GLU 30 1HB GLU 30 -13.953 8.989 3.361 215 HG2 GLU 30 2HG GLU 30 -14.781 6.709 3.207 216 HG3 GLU 30 1HG GLU 30 -15.117 6.709 4.940 217 H LEU 31 H LEU 31 -11.357 8.616 2.524 218 HA LEU 31 HA LEU 31 -11.746 6.374 0.840 219 HB2 LEU 31 2HB LEU 31 -10.517 8.969 0.701 220 HB3 LEU 31 1HB LEU 31 -9.467 7.761 -0.015 221 HG LEU 31 HG LEU 31 -11.731 7.061 -1.223 222 HD11 LEU 31 1HD1 LEU 31 -13.097 8.717 -0.074 223 HD12 LEU 31 2HD1 LEU 31 -13.041 9.027 -1.810 224 HD13 LEU 31 3HD1 LEU 31 -12.076 10.008 -0.706 225 HD21 LEU 31 3HD2 LEU 31 -11.024 8.567 -3.077 226 HD22 LEU 31 1HD2 LEU 31 -9.735 7.579 -2.383 227 HD23 LEU 31 2HD2 LEU 31 -9.864 9.291 -1.962 228 H LEU 32 H LEU 32 -9.093 7.481 2.900 229 HA LEU 32 HA LEU 32 -7.192 5.646 1.933 230 HB2 LEU 32 2HB LEU 32 -6.668 7.722 3.124 231 HB3 LEU 32 1HB LEU 32 -7.418 7.087 4.578 232 HG LEU 32 HG LEU 32 -5.719 5.297 4.605 233 HD11 LEU 32 1HD1 LEU 32 -3.697 5.576 3.249 234 HD12 LEU 32 2HD1 LEU 32 -4.465 6.923 2.407 235 HD13 LEU 32 3HD1 LEU 32 -5.126 5.295 2.254 236 HD21 LEU 32 3HD2 LEU 32 -5.467 7.275 5.995 237 HD22 LEU 32 1HD2 LEU 32 -4.657 8.112 4.671 238 HD23 LEU 32 2HD2 LEU 32 -3.895 6.711 5.424 239 H LEU 33 H LEU 33 -9.500 5.659 4.550 240 HA LEU 33 HA LEU 33 -8.763 3.153 5.646 241 HB2 LEU 33 2HB LEU 33 -10.010 5.004 6.799 242 HB3 LEU 33 1HB LEU 33 -11.422 4.549 5.868 243 HG LEU 33 HG LEU 33 -11.413 2.336 6.909 244 HD11 LEU 33 1HD1 LEU 33 -9.923 1.902 8.832 245 HD12 LEU 33 2HD1 LEU 33 -9.060 3.399 8.474 246 HD13 LEU 33 3HD1 LEU 33 -9.037 2.071 7.315 247 HD21 LEU 33 3HD2 LEU 33 -12.058 3.038 9.165 248 HD22 LEU 33 1HD2 LEU 33 -12.716 4.110 7.929 249 HD23 LEU 33 2HD2 LEU 33 -11.318 4.612 8.879 250 H ASN 34 H ASN 34 -11.297 4.157 3.330 251 HA ASN 34 HA ASN 34 -12.395 1.516 3.227 252 HB2 ASN 34 2HB ASN 34 -13.959 2.309 1.620 253 HB3 ASN 34 1HB ASN 34 -13.756 3.578 2.811 254 HD21 ASN 34 1HD2 ASN 34 -14.439 5.227 1.544 255 HD22 ASN 34 2HD2 ASN 34 -13.599 5.779 0.139 256 H GLN 35 H GLN 35 -9.923 3.186 1.446 257 HA GLN 35 HA GLN 35 -9.870 1.334 -0.731 258 HB2 GLN 35 2HB GLN 35 -8.270 3.636 0.152 259 HB3 GLN 35 1HB GLN 35 -7.352 2.402 -0.701 260 HG2 GLN 35 2HG GLN 35 -8.129 3.114 -2.644 261 HG3 GLN 35 1HG GLN 35 -9.783 2.858 -2.110 262 HE21 GLN 35 1HE2 GLN 35 -7.523 5.202 -0.726 263 HE22 GLN 35 2HE2 GLN 35 -8.415 6.588 -1.225 264 H MET 36 H MET 36 -7.983 1.737 2.246 265 HA MET 36 HA MET 36 -6.458 -0.637 1.813 266 HB2 MET 36 2HB MET 36 -6.918 1.045 4.271 267 HB3 MET 36 1HB MET 36 -5.886 -0.380 4.260 268 HG2 MET 36 2HG MET 36 -5.519 2.103 2.611 269 HG3 MET 36 1HG MET 36 -4.555 1.606 4.000 270 HE1 MET 36 3HE MET 36 -2.832 -0.411 3.967 271 HE2 MET 36 1HE MET 36 -2.725 -1.567 2.640 272 HE3 MET 36 2HE MET 36 -4.197 -1.469 3.608 273 H GLY 37 H GLY 37 -9.511 0.094 3.346 274 HA2 GLY 37 2HA GLY 37 -9.867 -2.458 4.571 275 HA3 GLY 37 1HA GLY 37 -11.135 -1.294 4.209 276 H LYS 38 H LYS 38 -10.392 -1.173 1.390 277 HA LYS 38 HA LYS 38 -11.958 -3.260 0.322 278 HB2 LYS 38 2HB LYS 38 -11.679 -1.079 -0.764 279 HB3 LYS 38 1HB LYS 38 -9.969 -1.420 -0.996 280 HG2 LYS 38 2HG LYS 38 -10.393 -3.017 -2.648 281 HG3 LYS 38 1HG LYS 38 -12.087 -3.183 -2.180 282 HD2 LYS 38 2HD LYS 38 -11.913 -1.931 -4.254 283 HD3 LYS 38 1HD LYS 38 -12.511 -0.888 -2.963 284 HE2 LYS 38 2HE LYS 38 -10.912 0.362 -4.196 285 HE3 LYS 38 1HE LYS 38 -10.159 -0.072 -2.663 286 HZ1 LYS 38 3HZ LYS 38 -9.008 -1.876 -3.787 287 HZ2 LYS 38 1HZ LYS 38 -8.648 -0.394 -4.514 288 HZ3 LYS 38 2HZ LYS 38 -9.732 -1.458 -5.253 289 H VAL 39 H VAL 39 -8.444 -2.723 0.467 290 HA VAL 39 HA VAL 39 -8.134 -5.584 -0.174 291 HB VAL 39 HB VAL 39 -6.871 -4.276 -1.706 292 HG11 VAL 39 1HG1 VAL 39 -5.572 -2.939 0.662 293 HG12 VAL 39 2HG1 VAL 39 -6.712 -2.195 -0.459 294 HG13 VAL 39 3HG1 VAL 39 -5.122 -2.705 -1.027 295 HG21 VAL 39 3HG2 VAL 39 -5.122 -5.548 0.384 296 HG22 VAL 39 1HG2 VAL 39 -4.539 -5.024 -1.195 297 HG23 VAL 39 2HG2 VAL 39 -5.764 -6.286 -1.083 298 H ASN 40 H ASN 40 -8.803 -6.135 1.970 299 HA ASN 40 HA ASN 40 -6.629 -5.996 3.886 300 HB2 ASN 40 2HB ASN 40 -8.660 -4.095 3.983 301 HB3 ASN 40 1HB ASN 40 -9.096 -5.274 5.230 302 HD21 ASN 40 1HD2 ASN 40 -5.885 -4.402 4.111 303 HD22 ASN 40 2HD2 ASN 40 -5.328 -3.782 5.626 304 H ASP 41 H ASP 41 -9.606 -7.380 2.796 305 HA ASP 41 HA ASP 41 -9.754 -9.113 5.136 306 HB2 ASP 41 2HB ASP 41 -11.584 -8.750 2.763 307 HB3 ASP 41 1HB ASP 41 -11.825 -10.016 3.965 308 H THR 42 H THR 42 -8.941 -9.264 1.743 309 HA THR 42 HA THR 42 -7.723 -11.868 2.228 310 HB THR 42 HB THR 42 -9.808 -12.545 1.303 311 HG1 THR 42 1HG THR 42 -7.764 -12.534 -0.681 312 HG21 THR 42 3HG2 THR 42 -10.678 -11.709 -0.839 313 HG22 THR 42 1HG2 THR 42 -9.359 -10.540 -0.905 314 HG23 THR 42 2HG2 THR 42 -10.568 -10.433 0.371 315 HA PRO 43 HA PRO 43 -5.172 -9.024 -0.400 316 HB2 PRO 43 2HB PRO 43 -3.496 -7.994 1.329 317 HB3 PRO 43 1HB PRO 43 -5.191 -7.483 1.370 318 HG2 PRO 43 2HG PRO 43 -3.779 -9.481 3.104 319 HG3 PRO 43 1HG PRO 43 -4.889 -8.188 3.582 320 HD2 PRO 43 2HD PRO 43 -5.590 -10.843 3.182 321 HD3 PRO 43 1HD PRO 43 -6.726 -9.481 3.155 322 H GLU 44 H GLU 44 -4.804 -11.930 0.873 323 HA GLU 44 HA GLU 44 -3.427 -13.650 0.380 324 HB2 GLU 44 2HB GLU 44 -2.997 -12.381 -1.753 325 HB3 GLU 44 1HB GLU 44 -1.570 -11.704 -0.981 326 HG2 GLU 44 2HG GLU 44 -1.044 -13.600 -2.441 327 HG3 GLU 44 1HG GLU 44 -0.597 -13.900 -0.764 328 H GLU 45 H GLU 45 -1.774 -10.736 1.574 329 HA GLU 45 HA GLU 45 0.158 -12.383 2.973 330 HB2 GLU 45 2HB GLU 45 0.879 -10.218 2.061 331 HB3 GLU 45 1HB GLU 45 -0.243 -9.383 3.127 332 HG2 GLU 45 2HG GLU 45 1.014 -10.590 5.027 333 HG3 GLU 45 1HG GLU 45 2.250 -10.901 3.819 334 H GLU 46 H GLU 46 -0.990 -9.686 4.829 335 HA GLU 46 HA GLU 46 -2.113 -11.578 6.765 336 HB2 GLU 46 2HB GLU 46 -1.157 -8.732 7.132 337 HB3 GLU 46 1HB GLU 46 -1.875 -9.709 8.402 338 HG2 GLU 46 2HG GLU 46 0.684 -10.322 6.947 339 HG3 GLU 46 1HG GLU 46 0.551 -9.643 8.564 340 H GLY 47 H GLY 47 -2.814 -8.158 6.702 341 HA2 GLY 47 2HA GLY 47 -5.172 -7.954 5.370 342 HA3 GLY 47 1HA GLY 47 -5.627 -8.670 6.903 343 H MET 48 H MET 48 -6.094 -7.327 8.501 344 HA MET 48 HA MET 48 -6.019 -4.572 8.240 345 HB2 MET 48 2HB MET 48 -7.589 -5.606 9.710 346 HB3 MET 48 1HB MET 48 -6.307 -6.342 10.655 347 HG2 MET 48 2HG MET 48 -6.505 -3.373 10.452 348 HG3 MET 48 1HG MET 48 -7.532 -4.268 11.571 349 HE1 MET 48 3HE MET 48 -4.507 -2.501 13.541 350 HE2 MET 48 1HE MET 48 -6.250 -2.455 13.268 351 HE3 MET 48 2HE MET 48 -5.143 -1.981 11.981 352 HA PRO 49 HA PRO 49 -1.950 -4.742 11.017 353 HB2 PRO 49 2HB PRO 49 -0.892 -7.283 9.878 354 HB3 PRO 49 1HB PRO 49 -0.732 -6.627 11.512 355 HG2 PRO 49 2HG PRO 49 -2.397 -8.635 11.052 356 HG3 PRO 49 1HG PRO 49 -2.865 -7.310 12.134 357 HD2 PRO 49 2HD PRO 49 -3.661 -7.813 9.292 358 HD3 PRO 49 1HD PRO 49 -4.651 -7.277 10.667 359 H LEU 50 H LEU 50 -2.011 -6.332 7.819 360 HA LEU 50 HA LEU 50 0.340 -5.123 6.900 361 HB2 LEU 50 2HB LEU 50 -0.014 -6.086 4.882 362 HB3 LEU 50 1HB LEU 50 -1.003 -7.106 5.896 363 HG LEU 50 HG LEU 50 -2.988 -5.715 5.112 364 HD11 LEU 50 1HD1 LEU 50 -2.738 -4.639 2.943 365 HD12 LEU 50 2HD1 LEU 50 -1.001 -4.944 2.973 366 HD13 LEU 50 3HD1 LEU 50 -1.721 -3.837 4.143 367 HD21 LEU 50 3HD2 LEU 50 -1.409 -7.402 3.195 368 HD22 LEU 50 1HD2 LEU 50 -3.131 -7.044 3.077 369 HD23 LEU 50 2HD2 LEU 50 -2.517 -7.985 4.437 370 H ARG 51 H ARG 51 -3.026 -4.080 6.693 371 HA ARG 51 HA ARG 51 -2.661 -1.740 5.278 372 HB2 ARG 51 2HB ARG 51 -4.876 -2.092 5.671 373 HB3 ARG 51 1HB ARG 51 -4.619 -2.658 7.312 374 HG2 ARG 51 2HG ARG 51 -4.473 -0.456 8.146 375 HG3 ARG 51 1HG ARG 51 -4.318 0.224 6.528 376 HD2 ARG 51 2HD ARG 51 -6.557 0.559 7.549 377 HD3 ARG 51 1HD ARG 51 -6.594 -0.300 6.017 378 HE ARG 51 HE ARG 51 -7.048 -2.331 7.221 379 HH11 ARG 51 1HH1 ARG 51 -7.142 0.570 9.171 380 HH12 ARG 51 2HH1 ARG 51 -8.269 -0.082 10.315 381 HH21 ARG 51 1HH2 ARG 51 -8.547 -3.192 8.715 382 HH22 ARG 51 2HH2 ARG 51 -9.067 -2.225 10.061 383 H ALA 52 H ALA 52 -2.292 -2.283 8.753 384 HA ALA 52 HA ALA 52 -1.623 0.318 9.472 385 HB1 ALA 52 1HB ALA 52 -0.661 -0.640 11.476 386 HB2 ALA 52 2HB ALA 52 -0.620 -2.234 10.722 387 HB3 ALA 52 3HB ALA 52 -2.167 -1.464 11.069 388 H TRP 53 H TRP 53 0.577 -2.359 8.475 389 HA TRP 53 HA TRP 53 2.853 -0.671 8.824 390 HB2 TRP 53 2HB TRP 53 4.229 -2.448 8.154 391 HB3 TRP 53 1HB TRP 53 2.894 -3.186 9.006 392 HD1 TRP 53 HD TRP 53 1.875 -5.228 7.905 393 HE1 TRP 53 1HE TRP 53 1.974 -6.323 5.561 394 HE3 TRP 53 3HE TRP 53 4.492 -1.620 5.408 395 HZ2 TRP 53 2HZ TRP 53 3.041 -5.746 3.041 396 HZ3 TRP 53 3HZ TRP 53 5.047 -1.987 3.046 397 HH2 TRP 53 HH TRP 53 4.329 -4.007 1.881 398 H VAL 54 H VAL 54 0.940 -1.638 6.041 399 HA VAL 54 HA VAL 54 2.565 -0.521 4.048 400 HB VAL 54 HB VAL 54 -0.355 -1.121 4.224 401 HG11 VAL 54 1HG1 VAL 54 -0.194 0.878 2.811 402 HG12 VAL 54 2HG1 VAL 54 -0.621 -0.540 1.853 403 HG13 VAL 54 3HG1 VAL 54 1.030 0.080 1.822 404 HG21 VAL 54 3HG2 VAL 54 0.182 -2.759 2.486 405 HG22 VAL 54 1HG2 VAL 54 1.155 -2.989 3.940 406 HG23 VAL 54 2HG2 VAL 54 1.863 -2.223 2.518 407 H ILE 55 H ILE 55 -0.256 0.868 5.743 408 HA ILE 55 HA ILE 55 -0.141 3.396 4.583 409 HB ILE 55 HB ILE 55 -1.141 2.528 7.286 410 HG12 ILE 55 2HG1 ILE 55 -2.520 3.265 4.694 411 HG13 ILE 55 1HG1 ILE 55 -2.347 1.645 5.361 412 HG21 ILE 55 1HG2 ILE 55 -2.264 4.679 7.474 413 HG22 ILE 55 2HG2 ILE 55 -1.475 5.234 5.993 414 HG23 ILE 55 3HG2 ILE 55 -0.512 4.877 7.429 415 HD11 ILE 55 3HD1 ILE 55 -3.752 2.280 7.247 416 HD12 ILE 55 1HD1 ILE 55 -4.577 2.531 5.708 417 HD13 ILE 55 2HD1 ILE 55 -3.906 3.908 6.583 418 H LYS 56 H LYS 56 1.520 2.187 7.504 419 HA LYS 56 HA LYS 56 2.735 4.639 8.182 420 HB2 LYS 56 2HB LYS 56 3.593 1.799 8.721 421 HB3 LYS 56 1HB LYS 56 4.433 3.200 9.371 422 HG2 LYS 56 2HG LYS 56 2.345 3.883 10.499 423 HG3 LYS 56 1HG LYS 56 1.584 2.400 9.912 424 HD2 LYS 56 2HD LYS 56 3.299 1.082 11.094 425 HD3 LYS 56 1HD LYS 56 3.992 2.579 11.722 426 HE2 LYS 56 2HE LYS 56 2.562 1.546 13.386 427 HE3 LYS 56 1HE LYS 56 1.869 3.074 12.846 428 HZ1 LYS 56 3HZ LYS 56 0.191 1.355 13.003 429 HZ2 LYS 56 1HZ LYS 56 1.047 0.377 11.921 430 HZ3 LYS 56 2HZ LYS 56 0.380 1.843 11.396 431 H CYS 57 H CYS 57 3.980 1.899 6.275 432 HA CYS 57 HA CYS 57 6.497 3.016 5.739 433 HB2 CYS 57 2HB CYS 57 4.897 1.009 4.139 434 HB3 CYS 57 1HB CYS 57 6.596 1.379 3.864 435 HG CYS 57 HG CYS 57 5.280 -0.035 6.694 436 H ALA 58 H ALA 58 3.481 3.110 3.850 437 HA ALA 58 HA ALA 58 4.547 4.582 1.683 438 HB1 ALA 58 1HB ALA 58 1.695 4.461 2.648 439 HB2 ALA 58 2HB ALA 58 2.451 3.320 1.538 440 HB3 ALA 58 3HB ALA 58 2.233 5.003 1.059 441 H HIS 59 H HIS 59 3.008 5.535 4.704 442 HA HIS 59 HA HIS 59 2.740 8.278 4.258 443 HB2 HIS 59 2HB HIS 59 1.877 6.909 6.222 444 HB3 HIS 59 1HB HIS 59 3.502 6.983 6.887 445 HD1 HIS 59 1HD HIS 59 1.274 8.110 8.543 446 HD2 HIS 59 2HD HIS 59 3.386 10.389 5.789 447 HE1 HIS 59 1HE HIS 59 0.960 10.501 9.264 448 HE2 HIS 59 2HE HIS 59 2.370 11.847 7.672 449 H GLU 60 H GLU 60 5.423 6.484 5.755 450 HA GLU 60 HA GLU 60 7.089 8.762 6.026 451 HB2 GLU 60 2HB GLU 60 7.731 5.813 6.068 452 HB3 GLU 60 1HB GLU 60 8.876 7.081 6.485 453 HG2 GLU 60 2HG GLU 60 7.459 7.793 8.318 454 HG3 GLU 60 1HG GLU 60 6.264 6.572 7.888 455 H ALA 61 H ALA 61 6.833 6.225 3.574 456 HA ALA 61 HA ALA 61 9.103 6.867 2.075 457 HB1 ALA 61 1HB ALA 61 7.790 4.823 1.731 458 HB2 ALA 61 2HB ALA 61 8.035 5.704 0.224 459 HB3 ALA 61 3HB ALA 61 6.479 5.785 1.050 460 H LEU 62 H LEU 62 5.806 8.157 1.913 461 HA LEU 62 HA LEU 62 6.316 9.834 -0.327 462 HB2 LEU 62 2HB LEU 62 4.046 9.109 0.422 463 HB3 LEU 62 1HB LEU 62 4.207 10.185 1.797 464 HG LEU 62 HG LEU 62 4.671 11.969 -0.118 465 HD11 LEU 62 1HD1 LEU 62 3.312 11.581 -2.070 466 HD12 LEU 62 2HD1 LEU 62 2.831 9.998 -1.458 467 HD13 LEU 62 3HD1 LEU 62 4.511 10.294 -1.918 468 HD21 LEU 62 3HD2 LEU 62 1.921 11.005 0.619 469 HD22 LEU 62 1HD2 LEU 62 2.342 12.605 0.011 470 HD23 LEU 62 2HD2 LEU 62 2.926 12.080 1.591 471 H GLU 63 H GLU 63 6.317 10.375 3.177 472 HA GLU 63 HA GLU 63 6.613 13.182 3.016 473 HB2 GLU 63 2HB GLU 63 7.024 11.164 5.202 474 HB3 GLU 63 1HB GLU 63 7.407 12.861 5.455 475 HG2 GLU 63 2HG GLU 63 4.721 12.009 4.448 476 HG3 GLU 63 1HG GLU 63 5.104 12.010 6.170 477 H LYS 64 H LYS 64 8.993 10.580 3.073 478 HA LYS 64 HA LYS 64 11.153 12.390 3.685 479 HB2 LYS 64 2HB LYS 64 11.264 9.519 2.758 480 HB3 LYS 64 1HB LYS 64 12.625 10.452 3.365 481 HG2 LYS 64 2HG LYS 64 10.210 9.500 4.877 482 HG3 LYS 64 1HG LYS 64 11.898 9.069 5.134 483 HD2 LYS 64 2HD LYS 64 10.683 11.795 5.586 484 HD3 LYS 64 1HD LYS 64 11.090 10.629 6.842 485 HE2 LYS 64 2HE LYS 64 13.432 10.793 6.305 486 HE3 LYS 64 1HE LYS 64 13.080 11.824 4.920 487 HZ1 LYS 64 3HZ LYS 64 12.546 12.528 7.756 488 HZ2 LYS 64 1HZ LYS 64 12.260 13.521 6.414 489 HZ3 LYS 64 2HZ LYS 64 13.843 13.099 6.831 490 H ASN 65 H ASN 65 9.624 11.207 0.832 491 HA ASN 65 HA ASN 65 11.306 13.025 -0.698 492 HB2 ASN 65 2HB ASN 65 11.306 11.357 -2.626 493 HB3 ASN 65 1HB ASN 65 12.388 11.008 -1.288 494 HD21 ASN 65 1HD2 ASN 65 9.395 10.135 -2.842 495 HD22 ASN 65 2HD2 ASN 65 9.275 8.546 -2.179 496 HA PRO 66 HA PRO 66 6.713 13.337 -1.149 497 HB2 PRO 66 2HB PRO 66 6.393 15.889 -0.456 498 HB3 PRO 66 1HB PRO 66 6.750 14.660 0.759 499 HG2 PRO 66 2HG PRO 66 8.630 16.577 -0.584 500 HG3 PRO 66 1HG PRO 66 8.470 16.205 1.142 501 HD2 PRO 66 2HD PRO 66 10.360 15.064 -0.449 502 HD3 PRO 66 1HD PRO 66 9.659 14.244 0.962 503 H LYS 67 H LYS 67 8.272 13.255 -3.394 504 HA LYS 67 HA LYS 67 6.931 15.235 -5.080 505 HB2 LYS 67 2HB LYS 67 9.889 14.620 -5.224 506 HB3 LYS 67 1HB LYS 67 9.002 15.553 -6.418 507 HG2 LYS 67 2HG LYS 67 8.479 17.220 -4.686 508 HG3 LYS 67 1HG LYS 67 9.438 16.293 -3.534 509 HD2 LYS 67 2HD LYS 67 10.511 17.458 -6.103 510 HD3 LYS 67 1HD LYS 67 10.634 18.240 -4.529 511 HE2 LYS 67 2HE LYS 67 12.684 17.199 -4.708 512 HE3 LYS 67 1HE LYS 67 11.753 16.012 -3.800 513 HZ1 LYS 67 3HZ LYS 67 11.393 14.777 -5.834 514 HZ2 LYS 67 1HZ LYS 67 13.047 15.001 -5.582 515 HZ3 LYS 67 2HZ LYS 67 12.231 15.935 -6.729 516 H ILE 68 H ILE 68 6.568 12.414 -4.444 517 HA ILE 68 HA ILE 68 7.243 11.159 -7.015 518 HB ILE 68 HB ILE 68 6.840 8.992 -5.866 519 HG12 ILE 68 2HG1 ILE 68 6.889 10.617 -3.315 520 HG13 ILE 68 1HG1 ILE 68 5.412 9.998 -4.043 521 HG21 ILE 68 1HG2 ILE 68 8.980 10.771 -4.722 522 HG22 ILE 68 2HG2 ILE 68 9.082 9.800 -6.190 523 HG23 ILE 68 3HG2 ILE 68 8.966 9.010 -4.618 524 HD11 ILE 68 3HD1 ILE 68 6.195 8.581 -2.226 525 HD12 ILE 68 1HD1 ILE 68 7.719 8.329 -3.076 526 HD13 ILE 68 2HD1 ILE 68 6.216 7.723 -3.767 527 H ARG 69 H ARG 69 5.559 9.074 -7.019 528 HA ARG 69 HA ARG 69 2.886 10.295 -7.172 529 HB2 ARG 69 2HB ARG 69 3.700 10.481 -9.385 530 HB3 ARG 69 1HB ARG 69 4.434 8.889 -9.329 531 HG2 ARG 69 2HG ARG 69 2.177 7.888 -9.275 532 HG3 ARG 69 1HG ARG 69 1.497 9.508 -9.463 533 HD2 ARG 69 2HD ARG 69 2.437 9.766 -11.604 534 HD3 ARG 69 1HD ARG 69 3.513 8.387 -11.385 535 HE ARG 69 HE ARG 69 1.143 7.199 -11.231 536 HH11 ARG 69 1HH1 ARG 69 2.354 9.576 -13.501 537 HH12 ARG 69 2HH1 ARG 69 1.382 9.008 -14.818 538 HH21 ARG 69 1HH2 ARG 69 -0.151 6.455 -12.965 539 HH22 ARG 69 2HH2 ARG 69 -0.049 7.235 -14.511 540 H GLU 70 H GLU 70 4.829 7.341 -7.147 541 HA GLU 70 HA GLU 70 2.868 5.955 -5.597 542 HB2 GLU 70 2HB GLU 70 2.502 4.155 -7.313 543 HB3 GLU 70 1HB GLU 70 1.752 5.706 -7.691 544 HG2 GLU 70 2HG GLU 70 3.735 6.209 -9.135 545 HG3 GLU 70 1HG GLU 70 4.272 4.549 -8.873 546 H VAL 71 H VAL 71 3.590 3.835 -4.944 547 HA VAL 71 HA VAL 71 6.410 3.250 -5.513 548 HB VAL 71 HB VAL 71 6.769 2.679 -3.116 549 HG11 VAL 71 1HG1 VAL 71 7.003 4.982 -2.301 550 HG12 VAL 71 2HG1 VAL 71 6.007 5.546 -3.642 551 HG13 VAL 71 3HG1 VAL 71 7.574 4.803 -3.959 552 HG21 VAL 71 3HG2 VAL 71 4.109 4.043 -2.720 553 HG22 VAL 71 1HG2 VAL 71 5.223 3.588 -1.431 554 HG23 VAL 71 2HG2 VAL 71 4.471 2.341 -2.426 555 H TYR 72 H TYR 72 6.991 1.038 -5.097 556 HA TYR 72 HA TYR 72 4.657 -0.743 -5.002 557 HB2 TYR 72 2HB TYR 72 6.259 -2.439 -6.075 558 HB3 TYR 72 1HB TYR 72 5.653 -1.140 -7.091 559 HD1 TYR 72 2HD TYR 72 7.149 0.736 -7.715 560 HD2 TYR 72 1HD TYR 72 8.593 -2.662 -5.601 561 HE1 TYR 72 2HE TYR 72 9.447 1.336 -8.338 562 HE2 TYR 72 1HE TYR 72 10.897 -2.073 -6.220 563 HH TYR 72 HH TYR 72 12.033 -0.787 -8.048 564 H LEU 73 H LEU 73 4.436 -1.968 -3.306 565 HA LEU 73 HA LEU 73 6.638 -2.002 -1.365 566 HB2 LEU 73 2HB LEU 73 3.710 -1.759 -1.164 567 HB3 LEU 73 1HB LEU 73 4.459 -2.778 0.049 568 HG LEU 73 HG LEU 73 5.149 0.110 -0.483 569 HD11 LEU 73 1HD1 LEU 73 2.977 -0.121 0.568 570 HD12 LEU 73 2HD1 LEU 73 4.151 0.477 1.740 571 HD13 LEU 73 3HD1 LEU 73 3.651 -1.214 1.777 572 HD21 LEU 73 3HD2 LEU 73 7.118 -0.967 0.262 573 HD22 LEU 73 1HD2 LEU 73 6.229 -1.931 1.442 574 HD23 LEU 73 2HD2 LEU 73 6.420 -0.194 1.685 575 H LYS 74 H LYS 74 7.434 -3.799 -0.571 576 HA LYS 74 HA LYS 74 6.359 -6.359 -1.506 577 HB2 LYS 74 2HB LYS 74 8.743 -5.901 -1.966 578 HB3 LYS 74 1HB LYS 74 9.029 -5.682 -0.245 579 HG2 LYS 74 2HG LYS 74 9.785 -7.847 -0.768 580 HG3 LYS 74 1HG LYS 74 8.244 -8.058 0.062 581 HD2 LYS 74 2HD LYS 74 7.115 -8.391 -2.057 582 HD3 LYS 74 1HD LYS 74 8.619 -8.089 -2.931 583 HE2 LYS 74 2HE LYS 74 9.573 -10.039 -1.600 584 HE3 LYS 74 1HE LYS 74 7.901 -10.392 -1.150 585 HZ1 LYS 74 3HZ LYS 74 8.677 -11.653 -3.102 586 HZ2 LYS 74 1HZ LYS 74 8.898 -10.208 -3.945 587 HZ3 LYS 74 2HZ LYS 74 7.347 -10.676 -3.462 588 HA PRO 75 HA PRO 75 4.327 -6.948 2.471 589 HB2 PRO 75 2HB PRO 75 4.967 -9.701 1.485 590 HB3 PRO 75 1HB PRO 75 3.498 -9.112 2.276 591 HG2 PRO 75 2HG PRO 75 3.577 -9.403 -0.360 592 HG3 PRO 75 1HG PRO 75 2.751 -8.019 0.374 593 HD2 PRO 75 2HD PRO 75 5.309 -8.110 -1.109 594 HD3 PRO 75 1HD PRO 75 4.171 -6.772 -0.894 595 H ARG 76 H ARG 76 5.122 -7.094 4.455 596 HA ARG 76 HA ARG 76 7.863 -7.508 4.978 597 HB2 ARG 76 2HB ARG 76 5.535 -7.636 6.897 598 HB3 ARG 76 1HB ARG 76 7.223 -7.498 7.356 599 HG2 ARG 76 2HG ARG 76 7.323 -5.329 6.175 600 HG3 ARG 76 1HG ARG 76 5.593 -5.460 5.860 601 HD2 ARG 76 2HD ARG 76 5.987 -4.058 7.800 602 HD3 ARG 76 1HD ARG 76 5.175 -5.548 8.279 603 HE ARG 76 HE ARG 76 7.951 -5.897 8.539 604 HH11 ARG 76 1HH1 ARG 76 5.323 -4.119 10.023 605 HH12 ARG 76 2HH1 ARG 76 6.073 -4.052 11.583 606 HH21 ARG 76 1HH2 ARG 76 8.945 -5.809 10.595 607 HH22 ARG 76 2HH2 ARG 76 8.146 -5.005 11.906 608 H ALA 77 H ALA 77 5.088 -9.598 4.887 609 HA ALA 77 HA ALA 77 6.618 -11.912 5.718 610 HB1 ALA 77 1HB ALA 77 3.933 -11.774 4.345 611 HB2 ALA 77 2HB ALA 77 4.176 -11.811 6.089 612 HB3 ALA 77 3HB ALA 77 4.648 -13.194 5.103 613 H VAL 78 H VAL 78 8.321 -11.192 4.172 614 HA VAL 78 HA VAL 78 8.027 -11.094 1.407 615 HB VAL 78 HB VAL 78 10.489 -12.042 2.874 616 HG11 VAL 78 1HG1 VAL 78 10.192 -10.644 0.224 617 HG12 VAL 78 2HG1 VAL 78 10.592 -12.343 0.457 618 HG13 VAL 78 3HG1 VAL 78 11.713 -11.093 0.993 619 HG21 VAL 78 3HG2 VAL 78 9.596 -9.224 2.279 620 HG22 VAL 78 1HG2 VAL 78 11.170 -9.681 2.929 621 HG23 VAL 78 2HG2 VAL 78 9.708 -9.972 3.872 622 H LYS 79 H LYS 79 8.126 -13.806 3.509 623 HA LYS 79 HA LYS 79 8.941 -15.842 1.761 624 HB2 LYS 79 2HB LYS 79 7.080 -15.934 4.141 625 HB3 LYS 79 1HB LYS 79 7.662 -17.362 3.302 626 HG2 LYS 79 2HG LYS 79 9.012 -17.126 5.211 627 HG3 LYS 79 1HG LYS 79 10.001 -16.587 3.854 628 HD2 LYS 79 2HD LYS 79 9.510 -14.261 4.415 629 HD3 LYS 79 1HD LYS 79 8.492 -14.789 5.755 630 HE2 LYS 79 2HE LYS 79 10.692 -14.101 6.542 631 HE3 LYS 79 1HE LYS 79 10.431 -15.819 6.822 632 HZ1 LYS 79 3HZ LYS 79 11.749 -16.301 4.854 633 HZ2 LYS 79 1HZ LYS 79 12.639 -15.391 5.963 634 HZ3 LYS 79 2HZ LYS 79 11.997 -14.652 4.587 635 H ASN 80 H ASN 80 5.996 -14.066 2.022 636 HA ASN 80 HA ASN 80 4.227 -15.875 0.745 637 HB2 ASN 80 2HB ASN 80 3.730 -13.720 2.090 638 HB3 ASN 80 1HB ASN 80 3.995 -12.881 0.566 639 HD21 ASN 80 1HD2 ASN 80 1.842 -12.175 0.641 640 HD22 ASN 80 2HD2 ASN 80 0.544 -13.237 0.217 641 H SER 81 H SER 81 6.727 -13.822 -0.390 642 HA SER 81 HA SER 81 7.848 -13.730 -2.305 643 HB2 SER 81 2HB SER 81 7.720 -15.628 -3.885 644 HB3 SER 81 1HB SER 81 7.917 -16.129 -2.209 645 HG SER 81 HG SER 81 5.379 -16.134 -2.465 646 H SER 82 H SER 82 5.142 -15.091 -4.116 647 HA SER 82 HA SER 82 5.580 -13.004 -6.040 648 HB2 SER 82 2HB SER 82 3.572 -15.261 -6.121 649 HB3 SER 82 1HB SER 82 4.158 -14.315 -7.488 650 HG SER 82 HG SER 82 6.230 -15.368 -6.126 651 H VAL 83 H VAL 83 4.686 -11.639 -4.006 652 HA VAL 83 HA VAL 83 2.062 -10.715 -4.897 653 HB VAL 83 HB VAL 83 1.515 -12.111 -3.006 654 HG11 VAL 83 1HG1 VAL 83 3.505 -12.406 -1.846 655 HG12 VAL 83 2HG1 VAL 83 2.521 -11.448 -0.737 656 HG13 VAL 83 3HG1 VAL 83 3.785 -10.675 -1.693 657 HG21 VAL 83 3HG2 VAL 83 0.512 -10.471 -1.478 658 HG22 VAL 83 1HG2 VAL 83 0.276 -10.022 -3.166 659 HG23 VAL 83 2HG2 VAL 83 1.502 -9.203 -2.198 660 H GLN 84 H GLN 84 1.974 -8.517 -5.005 661 HA GLN 84 HA GLN 84 3.881 -6.954 -3.417 662 HB2 GLN 84 2HB GLN 84 3.432 -6.558 -6.380 663 HB3 GLN 84 1HB GLN 84 4.392 -5.512 -5.347 664 HG2 GLN 84 2HG GLN 84 5.908 -7.410 -4.904 665 HG3 GLN 84 1HG GLN 84 4.975 -8.377 -6.049 666 HE21 GLN 84 1HE2 GLN 84 5.004 -7.811 -8.248 667 HE22 GLN 84 2HE2 GLN 84 6.278 -6.839 -8.912 668 H PHE 85 H PHE 85 3.149 -4.953 -2.796 669 HA PHE 85 HA PHE 85 0.394 -4.289 -3.582 670 HB2 PHE 85 2HB PHE 85 1.986 -3.414 -1.166 671 HB3 PHE 85 1HB PHE 85 0.395 -2.794 -1.592 672 HD1 PHE 85 1HD PHE 85 -1.512 -4.497 -1.766 673 HD2 PHE 85 2HD PHE 85 2.189 -5.297 0.174 674 HE1 PHE 85 1HE PHE 85 -2.578 -6.311 -0.492 675 HE2 PHE 85 2HE PHE 85 1.131 -7.115 1.451 676 HZ PHE 85 HZ PHE 85 -1.257 -7.622 1.121 677 H HIS 86 H HIS 86 0.206 -2.743 -5.011 678 HA HIS 86 HA HIS 86 2.458 -0.906 -5.429 679 HB2 HIS 86 2HB HIS 86 1.594 -2.212 -7.373 680 HB3 HIS 86 1HB HIS 86 0.039 -1.423 -7.176 681 HD1 HIS 86 1HD HIS 86 0.032 -0.234 -9.422 682 HD2 HIS 86 2HD HIS 86 3.407 0.607 -7.125 683 HE1 HIS 86 1HE HIS 86 1.204 1.647 -10.592 684 HE2 HIS 86 2HE HIS 86 3.292 2.070 -9.261 685 H VAL 87 H VAL 87 2.247 0.808 -4.109 686 HA VAL 87 HA VAL 87 -0.423 1.795 -3.475 687 HB VAL 87 HB VAL 87 2.251 2.660 -2.351 688 HG11 VAL 87 1HG1 VAL 87 0.568 4.399 -2.156 689 HG12 VAL 87 2HG1 VAL 87 0.911 3.699 -0.575 690 HG13 VAL 87 3HG1 VAL 87 -0.562 3.251 -1.435 691 HG21 VAL 87 3HG2 VAL 87 1.614 1.360 -0.367 692 HG22 VAL 87 1HG2 VAL 87 1.772 0.338 -1.795 693 HG23 VAL 87 2HG2 VAL 87 0.172 0.792 -1.208 694 H ILE 88 H ILE 88 -1.260 3.240 -4.743 695 HA ILE 88 HA ILE 88 0.482 5.075 -6.229 696 HB ILE 88 HB ILE 88 -2.374 4.211 -6.705 697 HG12 ILE 88 2HG1 ILE 88 0.129 3.724 -8.334 698 HG13 ILE 88 1HG1 ILE 88 -0.594 2.551 -7.238 699 HG21 ILE 88 1HG2 ILE 88 -0.670 6.094 -8.326 700 HG22 ILE 88 2HG2 ILE 88 -2.077 6.535 -7.358 701 HG23 ILE 88 3HG2 ILE 88 -2.269 5.503 -8.775 702 HD11 ILE 88 3HD1 ILE 88 -1.907 3.703 -9.687 703 HD12 ILE 88 1HD1 ILE 88 -2.608 2.507 -8.600 704 HD13 ILE 88 2HD1 ILE 88 -1.182 2.101 -9.554 705 H PHE 89 H PHE 89 0.229 7.276 -6.051 706 HA PHE 89 HA PHE 89 -1.427 8.105 -3.783 707 HB2 PHE 89 2HB PHE 89 1.022 9.316 -5.052 708 HB3 PHE 89 1HB PHE 89 0.058 10.145 -3.831 709 HD1 PHE 89 1HD PHE 89 -0.413 8.855 -1.670 710 HD2 PHE 89 2HD PHE 89 2.707 7.870 -4.386 711 HE1 PHE 89 1HE PHE 89 0.715 7.582 0.097 712 HE2 PHE 89 2HE PHE 89 3.848 6.600 -2.614 713 HZ PHE 89 HZ PHE 89 2.830 6.456 -0.384 714 H ASP 90 H ASP 90 -3.350 8.792 -4.416 715 HA ASP 90 HA ASP 90 -3.706 10.155 -6.969 716 HB2 ASP 90 2HB ASP 90 -5.559 8.928 -4.958 717 HB3 ASP 90 1HB ASP 90 -6.182 10.130 -6.082 718 H GLU 91 H GLU 91 -4.128 12.278 -7.192 719 HA GLU 91 HA GLU 91 -4.070 13.923 -4.792 720 HB2 GLU 91 2HB GLU 91 -4.166 14.747 -7.700 721 HB3 GLU 91 1HB GLU 91 -3.864 15.808 -6.331 722 HG2 GLU 91 2HG GLU 91 -1.795 14.627 -5.853 723 HG3 GLU 91 1HG GLU 91 -2.101 13.525 -7.192 724 H GLU 92 H GLU 92 -5.899 14.331 -3.810 725 HA GLU 92 HA GLU 92 -8.393 14.392 -5.361 726 HB2 GLU 92 2HB GLU 92 -7.947 13.483 -2.508 727 HB3 GLU 92 1HB GLU 92 -9.510 13.578 -3.306 728 HG2 GLU 92 2HG GLU 92 -7.232 11.821 -4.195 729 HG3 GLU 92 1HG GLU 92 -8.591 11.289 -3.206 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 6.990 -28.164 -20.107 2 H2 GLY 1 2HT GLY 1 7.318 -28.530 -21.725 3 H3 GLY 1 3HT GLY 1 6.703 -27.012 -21.308 4 HA2 GLY 1 1HA GLY 1 9.364 -28.073 -20.545 5 HA3 GLY 1 2HA GLY 1 9.059 -26.863 -21.785 6 H SER 2 H SER 2 10.424 -25.416 -20.635 7 HA SER 2 HA SER 2 10.690 -23.506 -19.449 8 HB2 SER 2 2HB SER 2 7.889 -24.016 -18.424 9 HB3 SER 2 1HB SER 2 8.809 -22.528 -18.197 10 HG SER 2 HG SER 2 7.939 -23.658 -20.656 11 H ALA 3 H ALA 3 9.043 -25.985 -17.462 12 HA ALA 3 HA ALA 3 9.453 -26.771 -15.368 13 HB1 ALA 3 1HB ALA 3 11.760 -27.216 -14.780 14 HB2 ALA 3 2HB ALA 3 12.319 -26.091 -16.018 15 HB3 ALA 3 3HB ALA 3 11.493 -27.578 -16.484 16 H MET 4 H MET 4 8.359 -24.474 -15.112 17 HA MET 4 HA MET 4 9.917 -23.062 -13.062 18 HB2 MET 4 2HB MET 4 8.789 -20.951 -13.789 19 HB3 MET 4 1HB MET 4 9.899 -21.612 -14.977 20 HG2 MET 4 2HG MET 4 8.114 -20.999 -16.280 21 HG3 MET 4 1HG MET 4 7.778 -22.702 -15.990 22 HE1 MET 4 3HE MET 4 6.768 -19.007 -15.281 23 HE2 MET 4 1HE MET 4 7.301 -19.520 -13.681 24 HE3 MET 4 2HE MET 4 5.597 -19.172 -13.971 25 H GLY 5 H GLY 5 8.747 -22.320 -11.279 26 HA2 GLY 5 2HA GLY 5 6.439 -23.878 -10.645 27 HA3 GLY 5 1HA GLY 5 7.167 -22.637 -9.636 28 H HIS 6 H HIS 6 4.393 -23.423 -11.019 29 HA HIS 6 HA HIS 6 3.677 -20.940 -12.288 30 HB2 HIS 6 2HB HIS 6 2.105 -23.402 -11.542 31 HB3 HIS 6 1HB HIS 6 1.337 -21.973 -12.221 32 HD1 HIS 6 1HD HIS 6 0.712 -22.752 -14.505 33 HD2 HIS 6 2HD HIS 6 4.659 -23.659 -13.560 34 HE1 HIS 6 1HE HIS 6 1.719 -23.686 -16.613 35 HE2 HIS 6 2HE HIS 6 4.103 -24.243 -16.017 36 H MET 7 H MET 7 4.526 -19.935 -10.173 37 HA MET 7 HA MET 7 2.270 -19.531 -8.328 38 HB2 MET 7 2HB MET 7 5.232 -19.044 -7.956 39 HB3 MET 7 1HB MET 7 4.004 -18.566 -6.793 40 HG2 MET 7 2HG MET 7 3.375 -20.878 -6.457 41 HG3 MET 7 1HG MET 7 4.529 -21.391 -7.687 42 HE1 MET 7 3HE MET 7 5.107 -18.552 -4.998 43 HE2 MET 7 1HE MET 7 5.770 -19.492 -3.661 44 HE3 MET 7 2HE MET 7 4.095 -19.728 -4.159 45 HA PRO 8 HA PRO 8 2.175 -15.921 -11.118 46 HB2 PRO 8 2HB PRO 8 -0.419 -15.546 -9.735 47 HB3 PRO 8 1HB PRO 8 -0.068 -15.616 -11.464 48 HG2 PRO 8 2HG PRO 8 -1.278 -17.646 -10.230 49 HG3 PRO 8 1HG PRO 8 -0.079 -17.931 -11.507 50 HD2 PRO 8 2HD PRO 8 0.228 -18.141 -8.537 51 HD3 PRO 8 1HD PRO 8 0.863 -19.200 -9.816 52 H ALA 9 H ALA 9 2.932 -13.954 -10.705 53 HA ALA 9 HA ALA 9 3.152 -13.057 -7.954 54 HB1 ALA 9 1HB ALA 9 4.159 -11.818 -10.515 55 HB2 ALA 9 2HB ALA 9 5.086 -12.850 -9.428 56 HB3 ALA 9 3HB ALA 9 4.540 -11.262 -8.886 57 H VAL 10 H VAL 10 1.462 -12.066 -7.099 58 HA VAL 10 HA VAL 10 -0.385 -10.629 -8.854 59 HB VAL 10 HB VAL 10 -0.715 -11.493 -5.978 60 HG11 VAL 10 1HG1 VAL 10 -3.074 -10.892 -6.273 61 HG12 VAL 10 2HG1 VAL 10 -2.707 -10.265 -7.880 62 HG13 VAL 10 3HG1 VAL 10 -2.012 -9.494 -6.452 63 HG21 VAL 10 3HG2 VAL 10 -2.287 -13.142 -6.879 64 HG22 VAL 10 1HG2 VAL 10 -0.659 -13.382 -7.513 65 HG23 VAL 10 2HG2 VAL 10 -1.893 -12.619 -8.515 66 H ASP 11 H ASP 11 -0.168 -8.517 -9.045 67 HA ASP 11 HA ASP 11 0.872 -7.011 -6.762 68 HB2 ASP 11 2HB ASP 11 1.218 -5.143 -8.308 69 HB3 ASP 11 1HB ASP 11 2.041 -6.587 -8.874 70 H VAL 12 H VAL 12 -0.461 -6.070 -5.489 71 HA VAL 12 HA VAL 12 -3.257 -5.732 -6.276 72 HB VAL 12 HB VAL 12 -1.993 -5.442 -3.544 73 HG11 VAL 12 1HG1 VAL 12 -4.275 -5.645 -2.703 74 HG12 VAL 12 2HG1 VAL 12 -4.879 -5.695 -4.359 75 HG13 VAL 12 3HG1 VAL 12 -4.091 -4.240 -3.749 76 HG21 VAL 12 3HG2 VAL 12 -1.729 -7.716 -4.367 77 HG22 VAL 12 1HG2 VAL 12 -3.451 -7.792 -4.746 78 HG23 VAL 12 2HG2 VAL 12 -2.922 -7.661 -3.069 79 H GLU 13 H GLU 13 -4.294 -3.725 -6.241 80 HA GLU 13 HA GLU 13 -2.451 -1.493 -6.420 81 HB2 GLU 13 2HB GLU 13 -4.514 -0.297 -7.365 82 HB3 GLU 13 1HB GLU 13 -3.755 -1.530 -8.352 83 HG2 GLU 13 2HG GLU 13 -6.038 -1.895 -8.606 84 HG3 GLU 13 1HG GLU 13 -5.528 -3.117 -7.450 85 H ILE 14 H ILE 14 -2.337 0.036 -4.972 86 HA ILE 14 HA ILE 14 -4.617 0.379 -3.164 87 HB ILE 14 HB ILE 14 -1.704 0.680 -2.380 88 HG12 ILE 14 2HG1 ILE 14 -3.735 -1.466 -1.712 89 HG13 ILE 14 1HG1 ILE 14 -2.229 -1.678 -2.595 90 HG21 ILE 14 1HG2 ILE 14 -4.229 0.935 -0.757 91 HG22 ILE 14 2HG2 ILE 14 -3.148 2.245 -1.231 92 HG23 ILE 14 3HG2 ILE 14 -2.589 1.001 -0.114 93 HD11 ILE 14 3HD1 ILE 14 -2.537 -1.022 0.329 94 HD12 ILE 14 1HD1 ILE 14 -0.995 -1.091 -0.531 95 HD13 ILE 14 2HD1 ILE 14 -1.983 -2.544 -0.373 96 H HIS 15 H HIS 15 -5.271 2.492 -2.959 97 HA HIS 15 HA HIS 15 -3.604 4.479 -4.340 98 HB2 HIS 15 2HB HIS 15 -6.612 4.210 -4.382 99 HB3 HIS 15 1HB HIS 15 -5.740 5.606 -5.007 100 HD1 HIS 15 1HD HIS 15 -6.918 2.280 -5.945 101 HD2 HIS 15 2HD HIS 15 -3.993 4.936 -7.247 102 HE1 HIS 15 1HE HIS 15 -6.266 1.494 -8.238 103 HE2 HIS 15 2HE HIS 15 -4.635 3.223 -9.074 104 H PHE 16 H PHE 16 -3.030 6.161 -3.209 105 HA PHE 16 HA PHE 16 -4.598 6.900 -0.826 106 HB2 PHE 16 2HB PHE 16 -1.593 6.737 -1.117 107 HB3 PHE 16 1HB PHE 16 -2.392 7.560 0.206 108 HD1 PHE 16 2HD PHE 16 -4.588 5.653 0.792 109 HD2 PHE 16 1HD PHE 16 -0.479 5.005 -0.082 110 HE1 PHE 16 2HE PHE 16 -4.652 3.560 2.073 111 HE2 PHE 16 1HE PHE 16 -0.532 2.906 1.198 112 HZ PHE 16 HZ PHE 16 -2.621 2.181 2.278 113 HA PRO 17 HA PRO 17 -4.571 10.752 -3.183 114 HB2 PRO 17 2HB PRO 17 -5.968 11.726 -0.761 115 HB3 PRO 17 1HB PRO 17 -6.453 11.818 -2.456 116 HG2 PRO 17 2HG PRO 17 -7.651 10.118 -0.802 117 HG3 PRO 17 1HG PRO 17 -7.291 9.653 -2.473 118 HD2 PRO 17 2HD PRO 17 -5.824 8.942 0.047 119 HD3 PRO 17 1HD PRO 17 -6.245 7.910 -1.340 120 H LEU 18 H LEU 18 -2.984 12.051 -3.262 121 HA LEU 18 HA LEU 18 -0.714 11.878 -1.820 122 HB2 LEU 18 2HB LEU 18 -1.059 12.921 -4.052 123 HB3 LEU 18 1HB LEU 18 -1.654 14.357 -3.250 124 HG LEU 18 HG LEU 18 0.618 14.458 -2.088 125 HD11 LEU 18 1HD1 LEU 18 2.450 13.357 -3.283 126 HD12 LEU 18 2HD1 LEU 18 1.275 12.521 -4.299 127 HD13 LEU 18 3HD1 LEU 18 1.336 12.192 -2.568 128 HD21 LEU 18 3HD2 LEU 18 1.649 15.560 -4.017 129 HD22 LEU 18 1HD2 LEU 18 -0.053 15.994 -3.852 130 HD23 LEU 18 2HD2 LEU 18 0.446 14.825 -5.075 131 H LYS 19 H LYS 19 -3.276 14.266 -1.199 132 HA LYS 19 HA LYS 19 -1.582 15.764 0.574 133 HB2 LYS 19 2HB LYS 19 -4.539 16.011 0.011 134 HB3 LYS 19 1HB LYS 19 -3.600 17.143 0.975 135 HG2 LYS 19 2HG LYS 19 -3.111 16.522 -1.932 136 HG3 LYS 19 1HG LYS 19 -3.985 17.929 -1.322 137 HD2 LYS 19 2HD LYS 19 -1.994 18.732 -0.208 138 HD3 LYS 19 1HD LYS 19 -1.120 17.268 -0.662 139 HE2 LYS 19 2HE LYS 19 -0.589 19.220 -2.081 140 HE3 LYS 19 1HE LYS 19 -1.207 17.823 -2.955 141 HZ1 LYS 19 3HZ LYS 19 -3.328 18.859 -3.166 142 HZ2 LYS 19 1HZ LYS 19 -2.158 19.968 -3.682 143 HZ3 LYS 19 2HZ LYS 19 -2.868 20.146 -2.161 144 H ARG 20 H ARG 20 -4.152 13.376 0.969 145 HA ARG 20 HA ARG 20 -4.291 13.995 3.810 146 HB2 ARG 20 2HB ARG 20 -6.182 12.461 3.890 147 HB3 ARG 20 1HB ARG 20 -6.385 13.667 2.632 148 HG2 ARG 20 2HG ARG 20 -5.484 11.907 1.034 149 HG3 ARG 20 1HG ARG 20 -5.761 10.757 2.346 150 HD2 ARG 20 2HD ARG 20 -7.697 10.751 0.948 151 HD3 ARG 20 1HD ARG 20 -8.115 11.554 2.458 152 HE ARG 20 HE ARG 20 -7.299 13.279 0.247 153 HH11 ARG 20 1HH1 ARG 20 -9.905 11.896 2.150 154 HH12 ARG 20 2HH1 ARG 20 -11.094 13.026 1.572 155 HH21 ARG 20 1HH2 ARG 20 -8.858 14.783 -0.492 156 HH22 ARG 20 2HH2 ARG 20 -10.496 14.680 0.096 157 H ILE 21 H ILE 21 -2.935 11.559 1.722 158 HA ILE 21 HA ILE 21 -2.428 9.664 3.805 159 HB ILE 21 HB ILE 21 -2.391 8.985 1.456 160 HG12 ILE 21 2HG1 ILE 21 -0.365 7.608 1.512 161 HG13 ILE 21 1HG1 ILE 21 0.320 8.641 2.760 162 HG21 ILE 21 1HG2 ILE 21 -0.324 9.549 0.103 163 HG22 ILE 21 2HG2 ILE 21 -0.023 10.823 1.285 164 HG23 ILE 21 3HG2 ILE 21 -1.500 10.846 0.322 165 HD11 ILE 21 3HD1 ILE 21 -2.155 6.955 3.050 166 HD12 ILE 21 1HD1 ILE 21 -1.410 7.944 4.308 167 HD13 ILE 21 2HD1 ILE 21 -0.550 6.548 3.661 168 H ALA 22 H ALA 22 -0.993 12.614 2.783 169 HA ALA 22 HA ALA 22 1.524 12.196 4.129 170 HB1 ALA 22 1HB ALA 22 1.996 14.505 3.533 171 HB2 ALA 22 2HB ALA 22 0.323 14.735 3.022 172 HB3 ALA 22 3HB ALA 22 1.371 13.628 2.136 173 H ALA 23 H ALA 23 -1.599 12.960 5.083 174 HA ALA 23 HA ALA 23 -1.001 14.854 7.143 175 HB1 ALA 23 1HB ALA 23 -3.202 14.778 6.084 176 HB2 ALA 23 2HB ALA 23 -3.324 14.532 7.825 177 HB3 ALA 23 3HB ALA 23 -3.461 13.158 6.730 178 H GLU 24 H GLU 24 -0.820 14.534 9.312 179 HA GLU 24 HA GLU 24 0.321 12.054 10.130 180 HB2 GLU 24 2HB GLU 24 -0.398 14.524 11.714 181 HB3 GLU 24 1HB GLU 24 0.515 13.160 12.350 182 HG2 GLU 24 2HG GLU 24 2.270 13.552 10.710 183 HG3 GLU 24 1HG GLU 24 1.352 14.898 10.040 184 H GLY 25 H GLY 25 -2.823 13.413 10.207 185 HA2 GLY 25 2HA GLY 25 -3.782 11.256 11.953 186 HA3 GLY 25 1HA GLY 25 -4.724 12.645 11.421 187 H TYR 26 H TYR 26 -2.823 10.104 9.820 188 HA TYR 26 HA TYR 26 -4.491 10.078 7.538 189 HB2 TYR 26 2HB TYR 26 -3.197 8.013 6.912 190 HB3 TYR 26 1HB TYR 26 -2.213 9.428 7.254 191 HD1 TYR 26 1HD TYR 26 -0.789 9.506 9.230 192 HD2 TYR 26 2HD TYR 26 -3.136 6.064 8.369 193 HE1 TYR 26 1HE TYR 26 0.547 8.201 10.826 194 HE2 TYR 26 2HE TYR 26 -1.808 4.753 9.968 195 HH TYR 26 HH TYR 26 0.312 6.169 12.200 196 H ALA 27 H ALA 27 -4.309 8.018 10.405 197 HA ALA 27 HA ALA 27 -6.331 6.194 9.487 198 HB1 ALA 27 1HB ALA 27 -4.592 5.498 11.081 199 HB2 ALA 27 2HB ALA 27 -6.214 5.241 11.723 200 HB3 ALA 27 3HB ALA 27 -5.254 6.612 12.277 201 H GLU 28 H GLU 28 -7.603 8.194 8.922 202 HA GLU 28 HA GLU 28 -9.708 8.646 10.839 203 HB2 GLU 28 2HB GLU 28 -8.055 10.310 11.560 204 HB3 GLU 28 1HB GLU 28 -7.918 10.910 9.916 205 HG2 GLU 28 2HG GLU 28 -10.371 11.489 10.064 206 HG3 GLU 28 1HG GLU 28 -10.244 11.158 11.791 207 H ASP 29 H ASP 29 -8.151 9.270 7.765 208 HA ASP 29 HA ASP 29 -10.460 10.401 6.506 209 HB2 ASP 29 2HB ASP 29 -8.242 10.990 5.719 210 HB3 ASP 29 1HB ASP 29 -7.892 9.302 5.353 211 H GLU 30 H GLU 30 -12.134 9.373 5.679 212 HA GLU 30 HA GLU 30 -12.453 6.609 6.150 213 HB2 GLU 30 2HB GLU 30 -14.243 8.422 6.149 214 HB3 GLU 30 1HB GLU 30 -14.205 8.320 4.394 215 HG2 GLU 30 2HG GLU 30 -14.740 5.897 4.601 216 HG3 GLU 30 1HG GLU 30 -14.959 6.151 6.331 217 H LEU 31 H LEU 31 -11.740 8.527 3.306 218 HA LEU 31 HA LEU 31 -12.083 6.590 1.330 219 HB2 LEU 31 2HB LEU 31 -10.816 9.177 1.610 220 HB3 LEU 31 1HB LEU 31 -9.848 8.114 0.607 221 HG LEU 31 HG LEU 31 -12.730 8.894 0.132 222 HD11 LEU 31 1HD1 LEU 31 -10.198 9.585 -1.351 223 HD12 LEU 31 2HD1 LEU 31 -11.147 10.678 -0.344 224 HD13 LEU 31 3HD1 LEU 31 -11.834 10.034 -1.836 225 HD21 LEU 31 3HD2 LEU 31 -12.416 6.640 -0.627 226 HD22 LEU 31 1HD2 LEU 31 -10.899 7.070 -1.417 227 HD23 LEU 31 2HD2 LEU 31 -12.424 7.707 -2.028 228 H LEU 32 H LEU 32 -9.345 7.386 3.389 229 HA LEU 32 HA LEU 32 -7.469 5.676 2.195 230 HB2 LEU 32 2HB LEU 32 -7.469 7.663 4.025 231 HB3 LEU 32 1HB LEU 32 -7.300 6.276 5.082 232 HG LEU 32 HG LEU 32 -5.366 5.605 3.556 233 HD11 LEU 32 1HD1 LEU 32 -4.252 7.445 2.406 234 HD12 LEU 32 2HD1 LEU 32 -5.588 8.514 2.829 235 HD13 LEU 32 3HD1 LEU 32 -5.860 7.152 1.743 236 HD21 LEU 32 3HD2 LEU 32 -5.060 6.359 5.842 237 HD22 LEU 32 1HD2 LEU 32 -5.139 8.038 5.307 238 HD23 LEU 32 2HD2 LEU 32 -3.797 7.012 4.799 239 H LEU 33 H LEU 33 -9.710 5.352 4.881 240 HA LEU 33 HA LEU 33 -8.873 2.763 5.691 241 HB2 LEU 33 2HB LEU 33 -10.142 4.467 7.053 242 HB3 LEU 33 1HB LEU 33 -11.568 4.026 6.143 243 HG LEU 33 HG LEU 33 -11.332 1.694 6.966 244 HD11 LEU 33 1HD1 LEU 33 -9.162 2.882 8.689 245 HD12 LEU 33 2HD1 LEU 33 -8.945 1.680 7.416 246 HD13 LEU 33 3HD1 LEU 33 -9.850 1.269 8.873 247 HD21 LEU 33 3HD2 LEU 33 -12.108 2.157 9.239 248 HD22 LEU 33 1HD2 LEU 33 -12.842 3.253 8.068 249 HD23 LEU 33 2HD2 LEU 33 -11.524 3.816 9.097 250 H ASN 34 H ASN 34 -11.537 3.942 3.667 251 HA ASN 34 HA ASN 34 -12.793 1.460 3.269 252 HB2 ASN 34 2HB ASN 34 -12.773 3.997 1.648 253 HB3 ASN 34 1HB ASN 34 -13.713 2.589 1.162 254 HD21 ASN 34 1HD2 ASN 34 -14.575 5.268 1.961 255 HD22 ASN 34 2HD2 ASN 34 -15.649 5.044 3.300 256 H GLN 35 H GLN 35 -10.158 3.031 1.544 257 HA GLN 35 HA GLN 35 -10.138 1.103 -0.577 258 HB2 GLN 35 2HB GLN 35 -8.143 3.196 0.281 259 HB3 GLN 35 1HB GLN 35 -7.895 2.143 -1.109 260 HG2 GLN 35 2HG GLN 35 -9.787 3.019 -2.223 261 HG3 GLN 35 1HG GLN 35 -10.313 3.897 -0.787 262 HE21 GLN 35 1HE2 GLN 35 -9.162 5.739 -0.153 263 HE22 GLN 35 2HE2 GLN 35 -8.176 6.617 -1.269 264 H MET 36 H MET 36 -8.236 1.578 2.384 265 HA MET 36 HA MET 36 -6.894 -0.957 1.942 266 HB2 MET 36 2HB MET 36 -6.700 1.122 4.097 267 HB3 MET 36 1HB MET 36 -5.965 -0.465 4.287 268 HG2 MET 36 2HG MET 36 -5.333 1.657 2.274 269 HG3 MET 36 1HG MET 36 -4.266 0.914 3.463 270 HE1 MET 36 3HE MET 36 -5.016 -2.131 3.198 271 HE2 MET 36 1HE MET 36 -3.309 -1.687 3.176 272 HE3 MET 36 2HE MET 36 -3.959 -2.749 1.928 273 H GLY 37 H GLY 37 -9.897 -0.274 2.775 274 HA2 GLY 37 2HA GLY 37 -10.126 -2.668 4.467 275 HA3 GLY 37 1HA GLY 37 -11.425 -1.532 4.105 276 H LYS 38 H LYS 38 -10.698 -1.368 1.319 277 HA LYS 38 HA LYS 38 -12.111 -3.471 0.122 278 HB2 LYS 38 2HB LYS 38 -11.847 -1.334 -0.977 279 HB3 LYS 38 1HB LYS 38 -10.099 -1.502 -0.975 280 HG2 LYS 38 2HG LYS 38 -10.344 -3.450 -2.495 281 HG3 LYS 38 1HG LYS 38 -12.074 -3.103 -2.580 282 HD2 LYS 38 2HD LYS 38 -11.594 -0.886 -3.480 283 HD3 LYS 38 1HD LYS 38 -9.862 -1.201 -3.361 284 HE2 LYS 38 2HE LYS 38 -11.804 -2.774 -5.044 285 HE3 LYS 38 1HE LYS 38 -10.739 -1.506 -5.646 286 HZ1 LYS 38 3HZ LYS 38 -9.732 -3.919 -4.261 287 HZ2 LYS 38 1HZ LYS 38 -8.844 -2.802 -5.175 288 HZ3 LYS 38 2HZ LYS 38 -9.941 -3.850 -5.934 289 H VAL 39 H VAL 39 -8.627 -2.762 -0.108 290 HA VAL 39 HA VAL 39 -8.123 -5.591 -0.669 291 HB VAL 39 HB VAL 39 -5.778 -4.810 -1.159 292 HG11 VAL 39 1HG1 VAL 39 -8.019 -3.534 -2.725 293 HG12 VAL 39 2HG1 VAL 39 -7.410 -5.176 -2.928 294 HG13 VAL 39 3HG1 VAL 39 -6.380 -3.799 -3.315 295 HG21 VAL 39 3HG2 VAL 39 -5.741 -2.753 0.137 296 HG22 VAL 39 1HG2 VAL 39 -7.041 -2.081 -0.851 297 HG23 VAL 39 2HG2 VAL 39 -5.461 -2.395 -1.568 298 H ASN 40 H ASN 40 -8.662 -6.191 1.510 299 HA ASN 40 HA ASN 40 -6.601 -5.654 3.500 300 HB2 ASN 40 2HB ASN 40 -8.055 -3.787 3.744 301 HB3 ASN 40 1HB ASN 40 -9.485 -4.806 3.706 302 HD21 ASN 40 1HD2 ASN 40 -6.504 -5.271 5.536 303 HD22 ASN 40 2HD2 ASN 40 -7.250 -5.184 7.091 304 H ASP 41 H ASP 41 -9.698 -7.209 2.759 305 HA ASP 41 HA ASP 41 -9.582 -8.827 5.124 306 HB2 ASP 41 2HB ASP 41 -11.713 -8.032 4.038 307 HB3 ASP 41 1HB ASP 41 -11.405 -9.173 2.733 308 H THR 42 H THR 42 -9.029 -9.348 1.675 309 HA THR 42 HA THR 42 -7.632 -11.844 2.376 310 HB THR 42 HB THR 42 -8.272 -12.645 0.039 311 HG1 THR 42 1HG THR 42 -9.057 -10.629 -0.743 312 HG21 THR 42 3HG2 THR 42 -10.469 -13.472 0.773 313 HG22 THR 42 1HG2 THR 42 -10.458 -12.304 2.097 314 HG23 THR 42 2HG2 THR 42 -9.262 -13.600 2.052 315 HA PRO 43 HA PRO 43 -4.839 -9.122 -0.088 316 HB2 PRO 43 2HB PRO 43 -3.295 -8.112 1.812 317 HB3 PRO 43 1HB PRO 43 -4.951 -7.529 1.611 318 HG2 PRO 43 2HG PRO 43 -3.814 -9.311 3.696 319 HG3 PRO 43 1HG PRO 43 -5.161 -8.167 3.806 320 HD2 PRO 43 2HD PRO 43 -5.286 -10.997 3.367 321 HD3 PRO 43 1HD PRO 43 -6.636 -9.845 3.419 322 H GLU 44 H GLU 44 -4.651 -12.035 0.872 323 HA GLU 44 HA GLU 44 -3.228 -13.745 0.496 324 HB2 GLU 44 2HB GLU 44 -2.354 -12.171 -1.334 325 HB3 GLU 44 1HB GLU 44 -1.039 -11.813 -0.224 326 HG2 GLU 44 2HG GLU 44 -0.304 -13.494 -1.743 327 HG3 GLU 44 1HG GLU 44 -0.510 -14.238 -0.158 328 H GLU 45 H GLU 45 -1.781 -11.021 2.247 329 HA GLU 45 HA GLU 45 -0.183 -12.801 3.889 330 HB2 GLU 45 2HB GLU 45 -0.628 -9.837 3.883 331 HB3 GLU 45 1HB GLU 45 0.160 -10.624 5.234 332 HG2 GLU 45 2HG GLU 45 1.845 -11.498 3.600 333 HG3 GLU 45 1HG GLU 45 1.108 -10.429 2.399 334 H GLU 46 H GLU 46 -2.099 -10.143 5.145 335 HA GLU 46 HA GLU 46 -3.386 -11.976 7.040 336 HB2 GLU 46 2HB GLU 46 -1.906 -9.436 7.745 337 HB3 GLU 46 1HB GLU 46 -2.841 -10.411 8.871 338 HG2 GLU 46 2HG GLU 46 -1.307 -12.265 8.569 339 HG3 GLU 46 1HG GLU 46 -0.396 -11.337 7.377 340 H GLY 47 H GLY 47 -3.285 -8.467 7.193 341 HA2 GLY 47 2HA GLY 47 -5.383 -7.625 5.731 342 HA3 GLY 47 1HA GLY 47 -6.170 -8.368 7.111 343 H MET 48 H MET 48 -5.541 -7.533 9.261 344 HA MET 48 HA MET 48 -5.890 -4.769 9.276 345 HB2 MET 48 2HB MET 48 -6.808 -6.092 11.054 346 HB3 MET 48 1HB MET 48 -5.211 -6.637 11.532 347 HG2 MET 48 2HG MET 48 -6.100 -4.924 13.020 348 HG3 MET 48 1HG MET 48 -4.597 -4.440 12.239 349 HE1 MET 48 3HE MET 48 -5.850 -0.964 12.109 350 HE2 MET 48 1HE MET 48 -4.476 -2.070 12.173 351 HE3 MET 48 2HE MET 48 -5.699 -2.109 13.442 352 HA PRO 49 HA PRO 49 -1.259 -4.366 10.566 353 HB2 PRO 49 2HB PRO 49 -0.064 -6.842 9.518 354 HB3 PRO 49 1HB PRO 49 0.165 -6.073 11.093 355 HG2 PRO 49 2HG PRO 49 -1.203 -8.360 10.861 356 HG3 PRO 49 1HG PRO 49 -1.686 -7.102 12.012 357 HD2 PRO 49 2HD PRO 49 -2.813 -7.700 9.297 358 HD3 PRO 49 1HD PRO 49 -3.660 -7.404 10.820 359 H LEU 50 H LEU 50 -2.424 -6.065 7.802 360 HA LEU 50 HA LEU 50 -0.511 -5.413 5.877 361 HB2 LEU 50 2HB LEU 50 -3.336 -6.269 5.919 362 HB3 LEU 50 1HB LEU 50 -2.792 -5.497 4.446 363 HG LEU 50 HG LEU 50 -2.643 -8.129 4.859 364 HD11 LEU 50 1HD1 LEU 50 -0.541 -6.535 3.400 365 HD12 LEU 50 2HD1 LEU 50 -2.177 -6.809 2.806 366 HD13 LEU 50 3HD1 LEU 50 -1.079 -8.173 3.029 367 HD21 LEU 50 3HD2 LEU 50 -1.049 -7.696 6.785 368 HD22 LEU 50 1HD2 LEU 50 0.130 -7.202 5.573 369 HD23 LEU 50 2HD2 LEU 50 -0.506 -8.844 5.566 370 H ARG 51 H ARG 51 -3.540 -3.747 6.710 371 HA ARG 51 HA ARG 51 -2.892 -1.553 5.023 372 HB2 ARG 51 2HB ARG 51 -4.809 -0.405 6.103 373 HB3 ARG 51 1HB ARG 51 -5.195 -1.961 5.401 374 HG2 ARG 51 2HG ARG 51 -5.142 -2.971 7.636 375 HG3 ARG 51 1HG ARG 51 -4.809 -1.377 8.324 376 HD2 ARG 51 2HD ARG 51 -6.906 -0.532 7.417 377 HD3 ARG 51 1HD ARG 51 -7.234 -2.102 6.686 378 HE ARG 51 HE ARG 51 -6.855 -2.344 9.490 379 HH11 ARG 51 1HH1 ARG 51 -9.170 -1.327 7.072 380 HH12 ARG 51 2HH1 ARG 51 -10.548 -1.595 8.089 381 HH21 ARG 51 1HH2 ARG 51 -8.667 -2.716 10.832 382 HH22 ARG 51 2HH2 ARG 51 -10.259 -2.383 10.233 383 H ALA 52 H ALA 52 -2.563 -2.191 8.471 384 HA ALA 52 HA ALA 52 -1.766 0.355 9.267 385 HB1 ALA 52 1HB ALA 52 -0.756 -0.711 11.189 386 HB2 ALA 52 2HB ALA 52 -0.784 -2.272 10.372 387 HB3 ALA 52 3HB ALA 52 -2.297 -1.482 10.817 388 H TRP 53 H TRP 53 0.246 -2.361 8.074 389 HA TRP 53 HA TRP 53 2.640 -0.847 8.384 390 HB2 TRP 53 2HB TRP 53 3.814 -2.726 7.784 391 HB3 TRP 53 1HB TRP 53 2.319 -3.448 8.329 392 HD1 TRP 53 HD TRP 53 1.168 -5.094 6.720 393 HE1 TRP 53 1HE TRP 53 1.588 -5.878 4.289 394 HE3 TRP 53 3HE TRP 53 4.732 -1.689 5.386 395 HZ2 TRP 53 2HZ TRP 53 3.215 -5.121 2.115 396 HZ3 TRP 53 3HZ TRP 53 5.680 -1.795 3.124 397 HH2 TRP 53 HH TRP 53 4.936 -3.479 1.522 398 H VAL 54 H VAL 54 0.548 -1.597 5.628 399 HA VAL 54 HA VAL 54 2.356 -0.512 3.729 400 HB VAL 54 HB VAL 54 0.319 -2.165 3.469 401 HG11 VAL 54 1HG1 VAL 54 -0.901 0.477 2.709 402 HG12 VAL 54 2HG1 VAL 54 -1.433 -0.599 4.000 403 HG13 VAL 54 3HG1 VAL 54 -1.570 -1.106 2.317 404 HG21 VAL 54 3HG2 VAL 54 0.394 -1.767 1.047 405 HG22 VAL 54 1HG2 VAL 54 1.998 -1.739 1.777 406 HG23 VAL 54 2HG2 VAL 54 1.203 -0.227 1.335 407 H ILE 55 H ILE 55 -0.502 0.816 5.378 408 HA ILE 55 HA ILE 55 -0.483 3.307 4.039 409 HB ILE 55 HB ILE 55 -1.538 2.547 6.764 410 HG12 ILE 55 2HG1 ILE 55 -2.961 3.016 4.137 411 HG13 ILE 55 1HG1 ILE 55 -2.592 1.437 4.824 412 HG21 ILE 55 1HG2 ILE 55 -1.096 4.936 6.714 413 HG22 ILE 55 2HG2 ILE 55 -2.829 4.614 6.707 414 HG23 ILE 55 3HG2 ILE 55 -2.015 5.091 5.217 415 HD11 ILE 55 3HD1 ILE 55 -4.033 1.926 6.725 416 HD12 ILE 55 1HD1 ILE 55 -4.909 2.070 5.201 417 HD13 ILE 55 2HD1 ILE 55 -4.383 3.520 6.056 418 H LYS 56 H LYS 56 0.980 2.216 7.082 419 HA LYS 56 HA LYS 56 1.988 4.725 7.866 420 HB2 LYS 56 2HB LYS 56 1.702 2.700 9.315 421 HB3 LYS 56 1HB LYS 56 3.128 2.016 8.553 422 HG2 LYS 56 2HG LYS 56 4.500 3.800 9.420 423 HG3 LYS 56 1HG LYS 56 3.079 4.598 10.098 424 HD2 LYS 56 2HD LYS 56 4.079 1.858 10.872 425 HD3 LYS 56 1HD LYS 56 4.341 3.337 11.796 426 HE2 LYS 56 2HE LYS 56 1.936 3.585 12.110 427 HE3 LYS 56 1HE LYS 56 1.647 2.145 11.135 428 HZ1 LYS 56 3HZ LYS 56 1.538 1.670 13.503 429 HZ2 LYS 56 1HZ LYS 56 3.131 2.202 13.702 430 HZ3 LYS 56 2HZ LYS 56 2.807 0.828 12.773 431 H CYS 57 H CYS 57 3.537 2.030 6.118 432 HA CYS 57 HA CYS 57 6.066 3.272 5.911 433 HB2 CYS 57 2HB CYS 57 4.817 1.123 4.192 434 HB3 CYS 57 1HB CYS 57 6.515 1.583 4.149 435 HG CYS 57 HG CYS 57 4.830 -0.191 6.481 436 H ALA 58 H ALA 58 3.280 3.187 3.697 437 HA ALA 58 HA ALA 58 4.493 4.610 1.589 438 HB1 ALA 58 1HB ALA 58 2.406 3.381 1.299 439 HB2 ALA 58 2HB ALA 58 2.211 5.069 0.825 440 HB3 ALA 58 3HB ALA 58 1.582 4.508 2.375 441 H HIS 59 H HIS 59 2.716 5.651 4.445 442 HA HIS 59 HA HIS 59 2.584 8.394 3.907 443 HB2 HIS 59 2HB HIS 59 1.318 7.311 5.710 444 HB3 HIS 59 1HB HIS 59 2.812 6.960 6.565 445 HD1 HIS 59 1HD HIS 59 1.835 8.312 8.587 446 HD2 HIS 59 2HD HIS 59 2.521 10.534 5.155 447 HE1 HIS 59 1HE HIS 59 1.671 10.713 9.295 448 HE2 HIS 59 2HE HIS 59 2.423 12.010 7.275 449 H GLU 60 H GLU 60 4.991 6.557 5.775 450 HA GLU 60 HA GLU 60 6.653 8.733 6.381 451 HB2 GLU 60 2HB GLU 60 7.380 5.815 6.095 452 HB3 GLU 60 1HB GLU 60 8.364 7.037 6.887 453 HG2 GLU 60 2HG GLU 60 5.628 6.135 7.757 454 HG3 GLU 60 1HG GLU 60 7.160 5.686 8.505 455 H ALA 61 H ALA 61 6.689 6.440 3.696 456 HA ALA 61 HA ALA 61 9.094 7.298 2.510 457 HB1 ALA 61 1HB ALA 61 6.700 6.039 1.176 458 HB2 ALA 61 2HB ALA 61 8.009 5.166 1.970 459 HB3 ALA 61 3HB ALA 61 8.336 6.118 0.522 460 H LEU 62 H LEU 62 5.727 8.281 1.987 461 HA LEU 62 HA LEU 62 6.220 9.927 -0.239 462 HB2 LEU 62 2HB LEU 62 3.986 9.144 0.357 463 HB3 LEU 62 1HB LEU 62 4.014 10.138 1.804 464 HG LEU 62 HG LEU 62 4.437 12.073 0.051 465 HD11 LEU 62 1HD1 LEU 62 4.548 10.470 -1.841 466 HD12 LEU 62 2HD1 LEU 62 3.335 11.733 -2.036 467 HD13 LEU 62 3HD1 LEU 62 2.842 10.105 -1.568 468 HD21 LEU 62 3HD2 LEU 62 2.052 12.500 0.014 469 HD22 LEU 62 1HD2 LEU 62 2.561 11.936 1.604 470 HD23 LEU 62 2HD2 LEU 62 1.734 10.837 0.502 471 H GLU 63 H GLU 63 5.994 10.739 3.236 472 HA GLU 63 HA GLU 63 6.408 13.521 2.750 473 HB2 GLU 63 2HB GLU 63 6.622 11.893 5.282 474 HB3 GLU 63 1HB GLU 63 6.834 13.637 5.230 475 HG2 GLU 63 2HG GLU 63 4.519 13.711 4.162 476 HG3 GLU 63 1HG GLU 63 4.354 12.039 4.697 477 H LYS 64 H LYS 64 8.531 10.811 3.223 478 HA LYS 64 HA LYS 64 10.881 12.253 3.857 479 HB2 LYS 64 2HB LYS 64 10.723 9.832 4.194 480 HB3 LYS 64 1HB LYS 64 10.554 9.586 2.464 481 HG2 LYS 64 2HG LYS 64 12.801 9.051 3.216 482 HG3 LYS 64 1HG LYS 64 12.812 10.421 2.107 483 HD2 LYS 64 2HD LYS 64 14.318 10.860 3.941 484 HD3 LYS 64 1HD LYS 64 12.934 11.946 4.050 485 HE2 LYS 64 2HE LYS 64 11.926 10.473 5.734 486 HE3 LYS 64 1HE LYS 64 13.325 9.407 5.630 487 HZ1 LYS 64 3HZ LYS 64 13.539 10.865 7.510 488 HZ2 LYS 64 1HZ LYS 64 13.332 12.232 6.535 489 HZ3 LYS 64 2HZ LYS 64 14.712 11.271 6.362 490 H ASN 65 H ASN 65 9.394 11.274 0.822 491 HA ASN 65 HA ASN 65 11.011 13.298 -0.528 492 HB2 ASN 65 2HB ASN 65 11.157 11.745 -2.537 493 HB3 ASN 65 1HB ASN 65 12.175 11.332 -1.165 494 HD21 ASN 65 1HD2 ASN 65 9.384 10.458 -3.025 495 HD22 ASN 65 2HD2 ASN 65 9.215 8.850 -2.422 496 HA PRO 66 HA PRO 66 6.455 13.631 -1.261 497 HB2 PRO 66 2HB PRO 66 6.185 16.233 -0.676 498 HB3 PRO 66 1HB PRO 66 6.322 15.013 0.592 499 HG2 PRO 66 2HG PRO 66 8.443 16.815 -0.529 500 HG3 PRO 66 1HG PRO 66 8.070 16.453 1.168 501 HD2 PRO 66 2HD PRO 66 10.077 15.226 -0.190 502 HD3 PRO 66 1HD PRO 66 9.170 14.432 1.111 503 H LYS 67 H LYS 67 7.986 13.329 -3.369 504 HA LYS 67 HA LYS 67 7.328 15.579 -5.162 505 HB2 LYS 67 2HB LYS 67 9.803 13.877 -5.465 506 HB3 LYS 67 1HB LYS 67 9.424 15.387 -6.277 507 HG2 LYS 67 2HG LYS 67 9.938 15.167 -3.325 508 HG3 LYS 67 1HG LYS 67 11.182 15.539 -4.516 509 HD2 LYS 67 2HD LYS 67 9.906 17.524 -5.202 510 HD3 LYS 67 1HD LYS 67 8.690 17.153 -3.978 511 HE2 LYS 67 2HE LYS 67 10.307 18.872 -3.240 512 HE3 LYS 67 1HE LYS 67 10.309 17.439 -2.214 513 HZ1 LYS 67 3HZ LYS 67 12.290 16.665 -3.312 514 HZ2 LYS 67 1HZ LYS 67 12.550 18.231 -2.729 515 HZ3 LYS 67 2HZ LYS 67 12.270 17.978 -4.379 516 H ILE 68 H ILE 68 6.867 12.435 -4.364 517 HA ILE 68 HA ILE 68 7.064 11.283 -7.036 518 HB ILE 68 HB ILE 68 6.562 9.139 -5.865 519 HG12 ILE 68 2HG1 ILE 68 6.890 10.771 -3.333 520 HG13 ILE 68 1HG1 ILE 68 5.339 10.229 -3.960 521 HG21 ILE 68 1HG2 ILE 68 8.915 10.754 -4.910 522 HG22 ILE 68 2HG2 ILE 68 8.834 9.729 -6.343 523 HG23 ILE 68 3HG2 ILE 68 8.764 9.005 -4.735 524 HD11 ILE 68 3HD1 ILE 68 7.604 8.442 -3.128 525 HD12 ILE 68 1HD1 ILE 68 6.023 7.923 -3.702 526 HD13 ILE 68 2HD1 ILE 68 6.163 8.795 -2.176 527 H ARG 69 H ARG 69 5.293 9.380 -7.153 528 HA ARG 69 HA ARG 69 2.657 10.457 -6.539 529 HB2 ARG 69 2HB ARG 69 1.829 10.093 -8.840 530 HB3 ARG 69 1HB ARG 69 3.029 11.370 -8.736 531 HG2 ARG 69 2HG ARG 69 3.945 8.632 -9.440 532 HG3 ARG 69 1HG ARG 69 3.080 9.575 -10.656 533 HD2 ARG 69 2HD ARG 69 4.689 11.366 -10.462 534 HD3 ARG 69 1HD ARG 69 5.513 10.525 -9.149 535 HE ARG 69 HE ARG 69 5.624 8.744 -11.176 536 HH11 ARG 69 1HH1 ARG 69 6.437 12.139 -10.974 537 HH12 ARG 69 2HH1 ARG 69 7.745 12.022 -12.108 538 HH21 ARG 69 1HH2 ARG 69 7.349 8.577 -12.660 539 HH22 ARG 69 2HH2 ARG 69 8.274 9.992 -13.061 540 H GLU 70 H GLU 70 4.745 7.805 -6.918 541 HA GLU 70 HA GLU 70 2.822 6.167 -5.623 542 HB2 GLU 70 2HB GLU 70 2.784 4.342 -7.302 543 HB3 GLU 70 1HB GLU 70 1.974 5.810 -7.840 544 HG2 GLU 70 2HG GLU 70 4.019 6.398 -9.118 545 HG3 GLU 70 1HG GLU 70 4.709 4.843 -8.654 546 H VAL 71 H VAL 71 3.717 4.258 -4.737 547 HA VAL 71 HA VAL 71 6.610 3.899 -5.145 548 HB VAL 71 HB VAL 71 6.802 3.183 -2.760 549 HG11 VAL 71 1HG1 VAL 71 6.845 5.444 -1.817 550 HG12 VAL 71 2HG1 VAL 71 5.930 6.029 -3.206 551 HG13 VAL 71 3HG1 VAL 71 7.555 5.384 -3.430 552 HG21 VAL 71 3HG2 VAL 71 4.501 2.683 -2.265 553 HG22 VAL 71 1HG2 VAL 71 4.034 4.360 -2.550 554 HG23 VAL 71 2HG2 VAL 71 5.065 3.952 -1.177 555 H TYR 72 H TYR 72 7.378 1.750 -4.740 556 HA TYR 72 HA TYR 72 5.278 -0.253 -5.202 557 HB2 TYR 72 2HB TYR 72 8.183 -0.296 -6.049 558 HB3 TYR 72 1HB TYR 72 7.014 -1.578 -6.353 559 HD1 TYR 72 2HD TYR 72 4.822 -0.802 -7.580 560 HD2 TYR 72 1HD TYR 72 8.516 1.304 -7.698 561 HE1 TYR 72 2HE TYR 72 4.104 0.329 -9.639 562 HE2 TYR 72 1HE TYR 72 7.803 2.444 -9.756 563 HH TYR 72 HH TYR 72 4.704 2.617 -10.773 564 H LEU 73 H LEU 73 4.894 -1.525 -3.587 565 HA LEU 73 HA LEU 73 6.988 -1.941 -1.565 566 HB2 LEU 73 2HB LEU 73 4.142 -1.168 -1.341 567 HB3 LEU 73 1HB LEU 73 4.725 -2.326 -0.163 568 HG LEU 73 HG LEU 73 5.945 0.391 -0.651 569 HD11 LEU 73 1HD1 LEU 73 4.177 -0.588 1.589 570 HD12 LEU 73 2HD1 LEU 73 3.716 0.563 0.335 571 HD13 LEU 73 3HD1 LEU 73 4.963 0.987 1.507 572 HD21 LEU 73 3HD2 LEU 73 7.622 -1.078 0.142 573 HD22 LEU 73 1HD2 LEU 73 6.518 -1.833 1.291 574 HD23 LEU 73 2HD2 LEU 73 7.061 -0.174 1.549 575 H LYS 74 H LYS 74 7.248 -3.976 -0.733 576 HA LYS 74 HA LYS 74 5.393 -6.007 -1.745 577 HB2 LYS 74 2HB LYS 74 7.716 -6.290 -2.620 578 HB3 LYS 74 1HB LYS 74 8.263 -6.514 -0.957 579 HG2 LYS 74 2HG LYS 74 6.672 -8.398 -0.743 580 HG3 LYS 74 1HG LYS 74 6.285 -8.216 -2.451 581 HD2 LYS 74 2HD LYS 74 8.612 -8.705 -3.022 582 HD3 LYS 74 1HD LYS 74 8.986 -8.897 -1.303 583 HE2 LYS 74 2HE LYS 74 7.354 -10.694 -1.133 584 HE3 LYS 74 1HE LYS 74 6.964 -10.508 -2.846 585 HZ1 LYS 74 3HZ LYS 74 9.255 -11.087 -3.397 586 HZ2 LYS 74 1HZ LYS 74 8.493 -12.334 -2.552 587 HZ3 LYS 74 2HZ LYS 74 9.605 -11.336 -1.763 588 HA PRO 75 HA PRO 75 3.648 -6.983 2.200 589 HB2 PRO 75 2HB PRO 75 4.607 -9.549 0.970 590 HB3 PRO 75 1HB PRO 75 3.165 -9.280 1.966 591 HG2 PRO 75 2HG PRO 75 2.952 -9.223 -0.661 592 HG3 PRO 75 1HG PRO 75 2.105 -8.026 0.318 593 HD2 PRO 75 2HD PRO 75 4.417 -7.662 -1.466 594 HD3 PRO 75 1HD PRO 75 3.271 -6.462 -0.848 595 H ARG 76 H ARG 76 4.289 -7.158 4.159 596 HA ARG 76 HA ARG 76 6.905 -7.055 5.035 597 HB2 ARG 76 2HB ARG 76 4.768 -6.402 6.239 598 HB3 ARG 76 1HB ARG 76 4.558 -8.112 6.587 599 HG2 ARG 76 2HG ARG 76 6.568 -8.164 7.876 600 HG3 ARG 76 1HG ARG 76 6.942 -6.504 7.411 601 HD2 ARG 76 2HD ARG 76 5.997 -6.657 9.683 602 HD3 ARG 76 1HD ARG 76 5.005 -5.689 8.597 603 HE ARG 76 HE ARG 76 3.946 -8.217 8.458 604 HH11 ARG 76 1HH1 ARG 76 4.585 -5.918 11.017 605 HH12 ARG 76 2HH1 ARG 76 3.238 -6.421 11.985 606 HH21 ARG 76 1HH2 ARG 76 2.139 -8.880 9.721 607 HH22 ARG 76 2HH2 ARG 76 1.850 -8.105 11.250 608 H ALA 77 H ALA 77 4.638 -9.787 4.947 609 HA ALA 77 HA ALA 77 6.617 -11.685 5.797 610 HB1 ALA 77 1HB ALA 77 3.941 -12.137 4.470 611 HB2 ALA 77 2HB ALA 77 4.234 -12.072 6.208 612 HB3 ALA 77 3HB ALA 77 4.935 -13.372 5.243 613 H VAL 78 H VAL 78 8.297 -11.174 4.344 614 HA VAL 78 HA VAL 78 8.190 -11.212 1.574 615 HB VAL 78 HB VAL 78 10.109 -10.429 2.935 616 HG11 VAL 78 1HG1 VAL 78 11.790 -12.061 3.690 617 HG12 VAL 78 2HG1 VAL 78 10.680 -13.368 3.280 618 HG13 VAL 78 3HG1 VAL 78 10.257 -12.216 4.546 619 HG21 VAL 78 3HG2 VAL 78 10.366 -10.796 0.550 620 HG22 VAL 78 1HG2 VAL 78 10.817 -12.474 0.846 621 HG23 VAL 78 2HG2 VAL 78 11.859 -11.170 1.412 622 H LYS 79 H LYS 79 8.022 -13.827 3.799 623 HA LYS 79 HA LYS 79 8.819 -15.972 2.152 624 HB2 LYS 79 2HB LYS 79 6.786 -15.967 4.391 625 HB3 LYS 79 1HB LYS 79 7.588 -17.384 3.730 626 HG2 LYS 79 2HG LYS 79 9.729 -16.588 4.532 627 HG3 LYS 79 1HG LYS 79 8.979 -15.107 5.126 628 HD2 LYS 79 2HD LYS 79 8.353 -17.901 6.081 629 HD3 LYS 79 1HD LYS 79 9.363 -16.732 6.929 630 HE2 LYS 79 2HE LYS 79 7.415 -15.204 7.047 631 HE3 LYS 79 1HE LYS 79 6.426 -16.458 6.300 632 HZ1 LYS 79 3HZ LYS 79 7.839 -16.681 8.897 633 HZ2 LYS 79 1HZ LYS 79 6.909 -17.900 8.181 634 HZ3 LYS 79 2HZ LYS 79 6.177 -16.465 8.694 635 H ASN 80 H ASN 80 5.973 -14.035 2.223 636 HA ASN 80 HA ASN 80 4.101 -15.853 1.138 637 HB2 ASN 80 2HB ASN 80 3.738 -13.580 2.296 638 HB3 ASN 80 1HB ASN 80 4.023 -12.879 0.708 639 HD21 ASN 80 1HD2 ASN 80 1.879 -12.054 0.940 640 HD22 ASN 80 2HD2 ASN 80 0.533 -13.059 0.544 641 H SER 81 H SER 81 6.597 -13.902 -0.271 642 HA SER 81 HA SER 81 7.726 -14.165 -2.194 643 HB2 SER 81 2HB SER 81 5.912 -16.526 -2.700 644 HB3 SER 81 1HB SER 81 7.435 -16.187 -3.523 645 HG SER 81 HG SER 81 7.075 -16.730 -0.750 646 H SER 82 H SER 82 4.767 -15.406 -3.692 647 HA SER 82 HA SER 82 5.272 -13.628 -5.897 648 HB2 SER 82 2HB SER 82 3.076 -15.671 -5.512 649 HB3 SER 82 1HB SER 82 3.534 -14.911 -7.035 650 HG SER 82 HG SER 82 4.700 -16.691 -7.129 651 H VAL 83 H VAL 83 4.622 -11.977 -3.887 652 HA VAL 83 HA VAL 83 2.066 -10.891 -4.784 653 HB VAL 83 HB VAL 83 1.463 -12.156 -2.814 654 HG11 VAL 83 1HG1 VAL 83 2.476 -11.472 -0.593 655 HG12 VAL 83 2HG1 VAL 83 3.751 -10.696 -1.534 656 HG13 VAL 83 3HG1 VAL 83 3.488 -12.433 -1.668 657 HG21 VAL 83 3HG2 VAL 83 0.553 -10.354 -1.394 658 HG22 VAL 83 1HG2 VAL 83 0.297 -10.060 -3.115 659 HG23 VAL 83 2HG2 VAL 83 1.568 -9.194 -2.253 660 H GLN 84 H GLN 84 2.097 -8.711 -4.978 661 HA GLN 84 HA GLN 84 3.999 -7.154 -3.428 662 HB2 GLN 84 2HB GLN 84 4.692 -5.885 -5.502 663 HB3 GLN 84 1HB GLN 84 5.349 -7.506 -5.342 664 HG2 GLN 84 2HG GLN 84 2.842 -7.432 -6.814 665 HG3 GLN 84 1HG GLN 84 4.118 -6.471 -7.561 666 HE21 GLN 84 1HE2 GLN 84 5.934 -7.484 -8.353 667 HE22 GLN 84 2HE2 GLN 84 6.025 -9.193 -8.583 668 H PHE 85 H PHE 85 3.522 -4.874 -3.402 669 HA PHE 85 HA PHE 85 0.708 -4.339 -4.096 670 HB2 PHE 85 2HB PHE 85 2.299 -3.266 -1.755 671 HB3 PHE 85 1HB PHE 85 0.659 -2.787 -2.165 672 HD1 PHE 85 1HD PHE 85 -0.216 -5.669 -2.937 673 HD2 PHE 85 2HD PHE 85 1.768 -4.016 0.442 674 HE1 PHE 85 1HE PHE 85 -1.109 -7.477 -1.535 675 HE2 PHE 85 2HE PHE 85 0.886 -5.827 1.848 676 HZ PHE 85 HZ PHE 85 -0.554 -7.563 0.861 677 H HIS 86 H HIS 86 0.258 -2.582 -5.255 678 HA HIS 86 HA HIS 86 2.467 -0.725 -5.851 679 HB2 HIS 86 2HB HIS 86 0.001 -1.521 -7.383 680 HB3 HIS 86 1HB HIS 86 0.826 -0.008 -7.733 681 HD1 HIS 86 1HD HIS 86 1.548 -0.749 -10.069 682 HD2 HIS 86 2HD HIS 86 2.926 -3.234 -7.035 683 HE1 HIS 86 1HE HIS 86 3.257 -2.241 -11.143 684 HE2 HIS 86 2HE HIS 86 4.234 -3.569 -9.241 685 H VAL 87 H VAL 87 2.374 0.880 -4.361 686 HA VAL 87 HA VAL 87 -0.245 1.909 -3.579 687 HB VAL 87 HB VAL 87 2.529 2.457 -2.521 688 HG11 VAL 87 1HG1 VAL 87 1.464 3.938 -0.869 689 HG12 VAL 87 2HG1 VAL 87 -0.064 3.781 -1.733 690 HG13 VAL 87 3HG1 VAL 87 1.313 4.558 -2.512 691 HG21 VAL 87 3HG2 VAL 87 1.654 1.514 -0.464 692 HG22 VAL 87 1HG2 VAL 87 1.434 0.375 -1.792 693 HG23 VAL 87 2HG2 VAL 87 0.065 1.323 -1.203 694 H ILE 88 H ILE 88 -1.097 3.359 -4.813 695 HA ILE 88 HA ILE 88 0.636 5.176 -6.329 696 HB ILE 88 HB ILE 88 -2.193 4.249 -6.797 697 HG12 ILE 88 2HG1 ILE 88 0.316 3.914 -8.454 698 HG13 ILE 88 1HG1 ILE 88 -0.335 2.688 -7.367 699 HG21 ILE 88 1HG2 ILE 88 -0.593 6.253 -8.370 700 HG22 ILE 88 2HG2 ILE 88 -2.032 6.587 -7.409 701 HG23 ILE 88 3HG2 ILE 88 -2.149 5.581 -8.853 702 HD11 ILE 88 3HD1 ILE 88 -0.931 2.229 -9.672 703 HD12 ILE 88 1HD1 ILE 88 -1.724 3.800 -9.794 704 HD13 ILE 88 2HD1 ILE 88 -2.366 2.569 -8.705 705 H PHE 89 H PHE 89 0.409 7.338 -6.144 706 HA PHE 89 HA PHE 89 -1.273 8.238 -3.931 707 HB2 PHE 89 2HB PHE 89 1.201 9.407 -5.194 708 HB3 PHE 89 1HB PHE 89 0.236 10.245 -3.985 709 HD1 PHE 89 1HD PHE 89 -0.260 8.953 -1.827 710 HD2 PHE 89 2HD PHE 89 2.896 7.992 -4.504 711 HE1 PHE 89 1HE PHE 89 0.862 7.698 -0.045 712 HE2 PHE 89 2HE PHE 89 4.028 6.736 -2.720 713 HZ PHE 89 HZ PHE 89 2.988 6.589 -0.500 714 H ASP 90 H ASP 90 -3.181 8.949 -4.647 715 HA ASP 90 HA ASP 90 -3.533 10.101 -7.256 716 HB2 ASP 90 2HB ASP 90 -5.419 9.939 -4.890 717 HB3 ASP 90 1HB ASP 90 -5.872 10.519 -6.486 718 H GLU 91 H GLU 91 -3.202 12.166 -7.789 719 HA GLU 91 HA GLU 91 -2.395 13.956 -5.675 720 HB2 GLU 91 2HB GLU 91 -1.822 15.505 -7.555 721 HB3 GLU 91 1HB GLU 91 -0.995 13.957 -7.599 722 HG2 GLU 91 2HG GLU 91 -2.448 13.169 -9.341 723 HG3 GLU 91 1HG GLU 91 -3.435 14.626 -9.227 724 H GLU 92 H GLU 92 -3.745 15.172 -4.642 725 HA GLU 92 HA GLU 92 -6.133 16.170 -6.022 726 HB2 GLU 92 2HB GLU 92 -7.206 16.272 -3.779 727 HB3 GLU 92 1HB GLU 92 -6.796 14.639 -4.275 728 HG2 GLU 92 2HG GLU 92 -4.859 14.647 -2.831 729 HG3 GLU 92 1HG GLU 92 -5.165 16.325 -2.392 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 5.473 -33.422 -11.370 2 H2 GLY 1 2HT GLY 1 5.950 -34.059 -12.860 3 H3 GLY 1 3HT GLY 1 4.487 -34.539 -12.166 4 HA2 GLY 1 1HA GLY 1 5.153 -31.846 -13.207 5 HA3 GLY 1 2HA GLY 1 4.039 -32.995 -13.931 6 H SER 2 H SER 2 1.963 -32.878 -13.398 7 HA SER 2 HA SER 2 0.031 -32.451 -12.305 8 HB2 SER 2 2HB SER 2 1.804 -31.872 -9.923 9 HB3 SER 2 1HB SER 2 0.047 -32.027 -9.869 10 HG SER 2 HG SER 2 0.477 -34.182 -10.880 11 H ALA 3 H ALA 3 2.445 -29.998 -11.312 12 HA ALA 3 HA ALA 3 2.363 -27.729 -11.247 13 HB1 ALA 3 1HB ALA 3 1.211 -26.566 -13.048 14 HB2 ALA 3 2HB ALA 3 0.328 -28.036 -13.456 15 HB3 ALA 3 3HB ALA 3 2.076 -27.970 -13.671 16 H MET 4 H MET 4 1.215 -28.549 -9.161 17 HA MET 4 HA MET 4 -1.554 -27.669 -8.971 18 HB2 MET 4 2HB MET 4 -1.479 -28.535 -6.687 19 HB3 MET 4 1HB MET 4 -0.894 -29.741 -7.823 20 HG2 MET 4 2HG MET 4 1.390 -29.275 -7.206 21 HG3 MET 4 1HG MET 4 0.866 -27.965 -6.149 22 HE1 MET 4 3HE MET 4 2.320 -29.064 -4.178 23 HE2 MET 4 1HE MET 4 2.796 -30.373 -5.260 24 HE3 MET 4 2HE MET 4 2.142 -30.742 -3.663 25 H GLY 5 H GLY 5 1.625 -26.532 -8.339 26 HA2 GLY 5 2HA GLY 5 0.624 -24.339 -6.665 27 HA3 GLY 5 1HA GLY 5 2.316 -24.735 -6.947 28 H HIS 6 H HIS 6 3.332 -23.272 -8.112 29 HA HIS 6 HA HIS 6 3.810 -21.681 -9.658 30 HB2 HIS 6 2HB HIS 6 3.341 -23.622 -11.156 31 HB3 HIS 6 1HB HIS 6 1.674 -23.083 -11.285 32 HD1 HIS 6 1HD HIS 6 1.157 -21.425 -13.078 33 HD2 HIS 6 2HD HIS 6 5.238 -21.756 -12.356 34 HE1 HIS 6 1HE HIS 6 2.273 -20.095 -14.892 35 HE2 HIS 6 2HE HIS 6 4.743 -20.373 -14.487 36 H MET 7 H MET 7 2.334 -20.628 -7.742 37 HA MET 7 HA MET 7 -0.109 -19.447 -8.624 38 HB2 MET 7 2HB MET 7 1.726 -18.653 -6.355 39 HB3 MET 7 1HB MET 7 0.117 -18.003 -6.622 40 HG2 MET 7 2HG MET 7 -0.740 -20.361 -6.413 41 HG3 MET 7 1HG MET 7 0.872 -20.805 -5.859 42 HE1 MET 7 3HE MET 7 -1.277 -17.533 -5.172 43 HE2 MET 7 1HE MET 7 -2.042 -17.992 -3.654 44 HE3 MET 7 2HE MET 7 -2.410 -18.881 -5.132 45 HA PRO 8 HA PRO 8 1.784 -16.276 -11.200 46 HB2 PRO 8 2HB PRO 8 -0.951 -15.148 -10.982 47 HB3 PRO 8 1HB PRO 8 0.005 -15.506 -12.424 48 HG2 PRO 8 2HG PRO 8 -2.059 -17.047 -11.740 49 HG3 PRO 8 1HG PRO 8 -0.577 -17.751 -12.415 50 HD2 PRO 8 2HD PRO 8 -1.513 -17.667 -9.573 51 HD3 PRO 8 1HD PRO 8 -0.704 -18.980 -10.457 52 H ALA 9 H ALA 9 2.348 -14.086 -10.907 53 HA ALA 9 HA ALA 9 2.301 -13.283 -8.129 54 HB1 ALA 9 1HB ALA 9 3.877 -11.554 -8.793 55 HB2 ALA 9 2HB ALA 9 3.620 -11.952 -10.492 56 HB3 ALA 9 3HB ALA 9 4.382 -13.125 -9.419 57 H VAL 10 H VAL 10 0.732 -12.135 -7.336 58 HA VAL 10 HA VAL 10 -0.995 -10.607 -9.123 59 HB VAL 10 HB VAL 10 -2.414 -10.381 -6.996 60 HG11 VAL 10 1HG1 VAL 10 -3.368 -12.632 -7.297 61 HG12 VAL 10 2HG1 VAL 10 -1.936 -13.105 -8.212 62 HG13 VAL 10 3HG1 VAL 10 -3.012 -11.856 -8.839 63 HG21 VAL 10 3HG2 VAL 10 -2.055 -11.992 -5.253 64 HG22 VAL 10 1HG2 VAL 10 -0.602 -11.015 -5.450 65 HG23 VAL 10 2HG2 VAL 10 -0.656 -12.654 -6.098 66 H ASP 11 H ASP 11 -1.333 -8.479 -8.979 67 HA ASP 11 HA ASP 11 0.405 -6.947 -7.163 68 HB2 ASP 11 2HB ASP 11 -0.920 -6.100 -9.755 69 HB3 ASP 11 1HB ASP 11 0.047 -5.050 -8.731 70 H VAL 12 H VAL 12 -0.647 -6.159 -5.443 71 HA VAL 12 HA VAL 12 -3.501 -5.525 -5.714 72 HB VAL 12 HB VAL 12 -1.779 -5.473 -3.222 73 HG11 VAL 12 1HG1 VAL 12 -3.920 -5.437 -2.025 74 HG12 VAL 12 2HG1 VAL 12 -4.775 -5.361 -3.566 75 HG13 VAL 12 3HG1 VAL 12 -3.733 -4.027 -3.069 76 HG21 VAL 12 3HG2 VAL 12 -1.921 -7.735 -4.099 77 HG22 VAL 12 1HG2 VAL 12 -3.677 -7.604 -4.206 78 HG23 VAL 12 2HG2 VAL 12 -2.886 -7.586 -2.629 79 H GLU 13 H GLU 13 -4.044 -3.485 -6.205 80 HA GLU 13 HA GLU 13 -1.957 -1.457 -5.874 81 HB2 GLU 13 2HB GLU 13 -4.354 -1.426 -7.711 82 HB3 GLU 13 1HB GLU 13 -3.097 -0.198 -7.631 83 HG2 GLU 13 2HG GLU 13 -1.466 -2.051 -8.210 84 HG3 GLU 13 1HG GLU 13 -2.880 -3.024 -8.601 85 H ILE 14 H ILE 14 -2.180 -0.270 -4.185 86 HA ILE 14 HA ILE 14 -4.883 0.419 -3.255 87 HB ILE 14 HB ILE 14 -2.468 0.898 -1.547 88 HG12 ILE 14 2HG1 ILE 14 -3.844 -1.797 -1.760 89 HG13 ILE 14 1HG1 ILE 14 -2.253 -1.448 -2.424 90 HG21 ILE 14 1HG2 ILE 14 -4.669 1.678 -0.851 91 HG22 ILE 14 2HG2 ILE 14 -4.071 0.424 0.236 92 HG23 ILE 14 3HG2 ILE 14 -5.299 0.035 -0.968 93 HD11 ILE 14 3HD1 ILE 14 -2.124 -2.625 -0.290 94 HD12 ILE 14 1HD1 ILE 14 -2.997 -1.306 0.489 95 HD13 ILE 14 2HD1 ILE 14 -1.396 -1.023 -0.194 96 H HIS 15 H HIS 15 -5.495 2.500 -3.487 97 HA HIS 15 HA HIS 15 -3.451 4.370 -4.452 98 HB2 HIS 15 2HB HIS 15 -6.455 4.381 -4.756 99 HB3 HIS 15 1HB HIS 15 -5.406 5.679 -5.313 100 HD1 HIS 15 1HD HIS 15 -6.420 2.162 -6.085 101 HD2 HIS 15 2HD HIS 15 -3.964 5.134 -7.645 102 HE1 HIS 15 1HE HIS 15 -5.782 1.376 -8.385 103 HE2 HIS 15 2HE HIS 15 -4.465 3.278 -9.377 104 H PHE 16 H PHE 16 -2.670 5.700 -2.989 105 HA PHE 16 HA PHE 16 -4.352 6.462 -0.709 106 HB2 PHE 16 2HB PHE 16 -1.368 6.602 -1.150 107 HB3 PHE 16 1HB PHE 16 -2.175 7.328 0.228 108 HD1 PHE 16 2HD PHE 16 -3.984 4.457 -0.428 109 HD2 PHE 16 1HD PHE 16 -0.220 5.711 1.102 110 HE1 PHE 16 2HE PHE 16 -3.791 2.353 0.827 111 HE2 PHE 16 1HE PHE 16 -0.021 3.606 2.349 112 HZ PHE 16 HZ PHE 16 -1.810 1.927 2.216 113 HA PRO 17 HA PRO 17 -4.728 10.538 -2.539 114 HB2 PRO 17 2HB PRO 17 -5.853 11.736 -0.366 115 HB3 PRO 17 1HB PRO 17 -6.768 10.736 -1.498 116 HG2 PRO 17 2HG PRO 17 -5.638 10.020 1.177 117 HG3 PRO 17 1HG PRO 17 -7.210 9.604 0.477 118 HD2 PRO 17 2HD PRO 17 -5.138 7.866 0.539 119 HD3 PRO 17 1HD PRO 17 -6.335 7.872 -0.771 120 H LEU 18 H LEU 18 -2.888 11.584 -2.752 121 HA LEU 18 HA LEU 18 -0.698 11.464 -1.092 122 HB2 LEU 18 2HB LEU 18 -0.710 12.115 -3.486 123 HB3 LEU 18 1HB LEU 18 -1.338 13.683 -3.032 124 HG LEU 18 HG LEU 18 1.259 12.774 -1.857 125 HD11 LEU 18 1HD1 LEU 18 1.490 12.325 -4.243 126 HD12 LEU 18 2HD1 LEU 18 2.452 13.724 -3.771 127 HD13 LEU 18 3HD1 LEU 18 0.920 13.951 -4.613 128 HD21 LEU 18 3HD2 LEU 18 1.748 15.177 -1.954 129 HD22 LEU 18 1HD2 LEU 18 0.267 14.849 -1.052 130 HD23 LEU 18 2HD2 LEU 18 0.177 15.461 -2.704 131 H LYS 19 H LYS 19 -3.252 13.891 -1.078 132 HA LYS 19 HA LYS 19 -1.866 15.707 0.620 133 HB2 LYS 19 2HB LYS 19 -4.702 15.459 -0.297 134 HB3 LYS 19 1HB LYS 19 -4.318 16.547 1.026 135 HG2 LYS 19 2HG LYS 19 -4.361 17.822 -0.974 136 HG3 LYS 19 1HG LYS 19 -2.677 17.678 -0.475 137 HD2 LYS 19 2HD LYS 19 -2.247 16.034 -2.150 138 HD3 LYS 19 1HD LYS 19 -3.961 15.883 -2.528 139 HE2 LYS 19 2HE LYS 19 -3.088 17.190 -4.242 140 HE3 LYS 19 1HE LYS 19 -3.884 18.332 -3.166 141 HZ1 LYS 19 3HZ LYS 19 -1.703 18.819 -2.176 142 HZ2 LYS 19 1HZ LYS 19 -1.762 19.201 -3.822 143 HZ3 LYS 19 2HZ LYS 19 -0.966 17.802 -3.305 144 H ARG 20 H ARG 20 -3.999 12.979 1.227 145 HA ARG 20 HA ARG 20 -4.217 13.766 4.029 146 HB2 ARG 20 2HB ARG 20 -5.573 11.504 2.559 147 HB3 ARG 20 1HB ARG 20 -5.838 11.920 4.247 148 HG2 ARG 20 2HG ARG 20 -7.600 13.018 3.351 149 HG3 ARG 20 1HG ARG 20 -6.391 14.291 3.159 150 HD2 ARG 20 2HD ARG 20 -5.946 13.416 0.869 151 HD3 ARG 20 1HD ARG 20 -7.297 12.305 1.082 152 HE ARG 20 HE ARG 20 -7.498 15.241 0.931 153 HH11 ARG 20 1HH1 ARG 20 -9.073 12.114 0.908 154 HH12 ARG 20 2HH1 ARG 20 -10.454 12.682 0.017 155 HH21 ARG 20 1HH2 ARG 20 -9.330 15.993 -0.205 156 HH22 ARG 20 2HH2 ARG 20 -10.614 14.894 -0.594 157 H ILE 21 H ILE 21 -2.714 11.307 2.013 158 HA ILE 21 HA ILE 21 -1.929 9.599 4.132 159 HB ILE 21 HB ILE 21 -1.852 8.896 1.765 160 HG12 ILE 21 2HG1 ILE 21 0.205 7.603 1.907 161 HG13 ILE 21 1HG1 ILE 21 0.858 8.717 3.101 162 HG21 ILE 21 1HG2 ILE 21 0.036 9.560 0.341 163 HG22 ILE 21 2HG2 ILE 21 0.568 10.691 1.585 164 HG23 ILE 21 3HG2 ILE 21 -0.977 10.940 0.771 165 HD11 ILE 21 3HD1 ILE 21 -1.572 6.989 3.507 166 HD12 ILE 21 1HD1 ILE 21 -0.789 8.015 4.710 167 HD13 ILE 21 2HD1 ILE 21 0.055 6.605 4.069 168 H ALA 22 H ALA 22 -0.734 12.613 2.932 169 HA ALA 22 HA ALA 22 1.784 12.562 4.252 170 HB1 ALA 22 1HB ALA 22 0.129 14.917 3.352 171 HB2 ALA 22 2HB ALA 22 1.327 14.066 2.378 172 HB3 ALA 22 3HB ALA 22 1.831 14.963 3.811 173 H ALA 23 H ALA 23 -1.471 13.440 5.147 174 HA ALA 23 HA ALA 23 -0.770 14.864 7.532 175 HB1 ALA 23 1HB ALA 23 -3.183 14.826 7.981 176 HB2 ALA 23 2HB ALA 23 -3.411 13.707 6.636 177 HB3 ALA 23 3HB ALA 23 -2.839 15.348 6.332 178 H GLU 24 H GLU 24 -1.049 14.167 9.677 179 HA GLU 24 HA GLU 24 -0.491 11.346 10.032 180 HB2 GLU 24 2HB GLU 24 0.675 13.328 11.232 181 HB3 GLU 24 1HB GLU 24 -0.746 13.334 12.267 182 HG2 GLU 24 2HG GLU 24 1.088 12.064 13.252 183 HG3 GLU 24 1HG GLU 24 -0.313 11.043 12.924 184 H GLY 25 H GLY 25 -3.104 13.546 10.364 185 HA2 GLY 25 2HA GLY 25 -4.744 11.644 11.842 186 HA3 GLY 25 1HA GLY 25 -5.243 13.232 11.266 187 H TYR 26 H TYR 26 -3.834 10.440 9.607 188 HA TYR 26 HA TYR 26 -5.430 10.899 7.296 189 HB2 TYR 26 2HB TYR 26 -4.306 8.951 6.362 190 HB3 TYR 26 1HB TYR 26 -3.148 9.998 7.164 191 HD1 TYR 26 1HD TYR 26 -5.067 6.843 7.565 192 HD2 TYR 26 2HD TYR 26 -1.755 9.167 8.878 193 HE1 TYR 26 1HE TYR 26 -4.237 4.919 8.838 194 HE2 TYR 26 2HE TYR 26 -0.918 7.244 10.163 195 HH TYR 26 HH TYR 26 -1.694 5.174 11.126 196 H ALA 27 H ALA 27 -6.039 9.265 10.178 197 HA ALA 27 HA ALA 27 -7.608 7.099 9.210 198 HB1 ALA 27 1HB ALA 27 -8.333 6.840 11.515 199 HB2 ALA 27 2HB ALA 27 -7.665 8.421 11.919 200 HB3 ALA 27 3HB ALA 27 -6.592 7.106 11.440 201 H GLU 28 H GLU 28 -8.174 10.417 9.330 202 HA GLU 28 HA GLU 28 -11.058 10.184 9.620 203 HB2 GLU 28 2HB GLU 28 -9.299 12.594 9.132 204 HB3 GLU 28 1HB GLU 28 -11.035 12.649 9.410 205 HG2 GLU 28 2HG GLU 28 -10.715 11.694 11.630 206 HG3 GLU 28 1HG GLU 28 -8.974 11.632 11.353 207 H ASP 29 H ASP 29 -8.874 9.767 7.171 208 HA ASP 29 HA ASP 29 -10.522 10.975 5.091 209 HB2 ASP 29 2HB ASP 29 -8.103 11.262 4.895 210 HB3 ASP 29 1HB ASP 29 -7.881 9.513 4.903 211 H GLU 30 H GLU 30 -12.224 9.861 4.484 212 HA GLU 30 HA GLU 30 -12.617 7.137 5.026 213 HB2 GLU 30 2HB GLU 30 -14.502 8.633 4.793 214 HB3 GLU 30 1HB GLU 30 -14.065 8.984 3.125 215 HG2 GLU 30 2HG GLU 30 -14.543 6.692 2.492 216 HG3 GLU 30 1HG GLU 30 -14.916 6.289 4.166 217 H LEU 31 H LEU 31 -11.354 8.810 2.218 218 HA LEU 31 HA LEU 31 -11.577 6.776 0.326 219 HB2 LEU 31 2HB LEU 31 -9.981 9.210 0.682 220 HB3 LEU 31 1HB LEU 31 -9.177 7.976 -0.267 221 HG LEU 31 HG LEU 31 -11.888 9.147 -0.879 222 HD11 LEU 31 1HD1 LEU 31 -10.089 10.761 -1.203 223 HD12 LEU 31 2HD1 LEU 31 -10.742 10.225 -2.751 224 HD13 LEU 31 3HD1 LEU 31 -9.201 9.589 -2.177 225 HD21 LEU 31 3HD2 LEU 31 -10.150 7.163 -2.332 226 HD22 LEU 31 1HD2 LEU 31 -11.555 7.963 -3.040 227 HD23 LEU 31 2HD2 LEU 31 -11.756 6.888 -1.659 228 H LEU 32 H LEU 32 -9.072 7.464 2.718 229 HA LEU 32 HA LEU 32 -7.312 5.472 1.746 230 HB2 LEU 32 2HB LEU 32 -6.633 7.527 2.935 231 HB3 LEU 32 1HB LEU 32 -7.407 6.925 4.388 232 HG LEU 32 HG LEU 32 -5.854 5.057 4.440 233 HD11 LEU 32 1HD1 LEU 32 -3.895 5.070 2.948 234 HD12 LEU 32 2HD1 LEU 32 -4.613 6.415 2.059 235 HD13 LEU 32 3HD1 LEU 32 -5.409 4.841 2.071 236 HD21 LEU 32 3HD2 LEU 32 -5.344 7.144 5.636 237 HD22 LEU 32 1HD2 LEU 32 -4.461 7.717 4.221 238 HD23 LEU 32 2HD2 LEU 32 -3.885 6.306 5.108 239 H LEU 33 H LEU 33 -9.666 5.715 4.319 240 HA LEU 33 HA LEU 33 -8.993 3.263 5.566 241 HB2 LEU 33 2HB LEU 33 -10.261 5.346 6.461 242 HB3 LEU 33 1HB LEU 33 -11.680 4.556 5.803 243 HG LEU 33 HG LEU 33 -11.267 2.604 7.225 244 HD11 LEU 33 1HD1 LEU 33 -9.566 2.751 9.010 245 HD12 LEU 33 2HD1 LEU 33 -8.951 4.231 8.273 246 HD13 LEU 33 3HD1 LEU 33 -8.855 2.704 7.397 247 HD21 LEU 33 3HD2 LEU 33 -11.800 3.655 9.373 248 HD22 LEU 33 1HD2 LEU 33 -12.708 4.381 8.047 249 HD23 LEU 33 2HD2 LEU 33 -11.311 5.220 8.722 250 H ASN 34 H ASN 34 -11.529 4.179 3.224 251 HA ASN 34 HA ASN 34 -12.755 1.599 3.346 252 HB2 ASN 34 2HB ASN 34 -14.337 2.363 1.859 253 HB3 ASN 34 1HB ASN 34 -13.779 3.885 2.536 254 HD21 ASN 34 1HD2 ASN 34 -12.688 5.320 1.247 255 HD22 ASN 34 2HD2 ASN 34 -12.545 5.123 -0.470 256 H GLN 35 H GLN 35 -10.296 3.052 1.278 257 HA GLN 35 HA GLN 35 -10.265 0.885 -0.578 258 HB2 GLN 35 2HB GLN 35 -8.156 2.941 0.090 259 HB3 GLN 35 1HB GLN 35 -8.018 1.779 -1.222 260 HG2 GLN 35 2HG GLN 35 -9.947 2.721 -2.319 261 HG3 GLN 35 1HG GLN 35 -10.218 3.816 -0.965 262 HE21 GLN 35 1HE2 GLN 35 -8.799 5.527 -0.639 263 HE22 GLN 35 2HE2 GLN 35 -7.759 6.114 -1.891 264 H MET 36 H MET 36 -8.510 1.622 2.392 265 HA MET 36 HA MET 36 -7.091 -0.898 2.288 266 HB2 MET 36 2HB MET 36 -7.205 1.267 4.387 267 HB3 MET 36 1HB MET 36 -6.289 -0.222 4.567 268 HG2 MET 36 2HG MET 36 -5.694 1.090 2.066 269 HG3 MET 36 1HG MET 36 -5.406 2.150 3.443 270 HE1 MET 36 3HE MET 36 -3.393 -1.981 2.936 271 HE2 MET 36 1HE MET 36 -4.638 -1.349 1.860 272 HE3 MET 36 2HE MET 36 -5.053 -1.820 3.507 273 H GLY 37 H GLY 37 -10.197 -0.102 2.991 274 HA2 GLY 37 2HA GLY 37 -10.500 -2.373 4.814 275 HA3 GLY 37 1HA GLY 37 -11.788 -1.315 4.250 276 H LYS 38 H LYS 38 -10.866 -1.480 1.485 277 HA LYS 38 HA LYS 38 -12.322 -3.808 0.678 278 HB2 LYS 38 2HB LYS 38 -10.833 -1.679 -0.830 279 HB3 LYS 38 1HB LYS 38 -11.627 -3.024 -1.639 280 HG2 LYS 38 2HG LYS 38 -12.975 -0.966 0.100 281 HG3 LYS 38 1HG LYS 38 -13.017 -1.026 -1.662 282 HD2 LYS 38 2HD LYS 38 -14.047 -3.308 -1.460 283 HD3 LYS 38 1HD LYS 38 -14.182 -3.020 0.275 284 HE2 LYS 38 2HE LYS 38 -16.280 -2.495 -0.798 285 HE3 LYS 38 1HE LYS 38 -15.539 -1.014 -0.194 286 HZ1 LYS 38 3HZ LYS 38 -15.419 -1.957 -3.008 287 HZ2 LYS 38 1HZ LYS 38 -14.778 -0.509 -2.415 288 HZ3 LYS 38 2HZ LYS 38 -16.449 -0.749 -2.430 289 H VAL 39 H VAL 39 -9.030 -2.750 -0.274 290 HA VAL 39 HA VAL 39 -8.518 -5.476 -1.191 291 HB VAL 39 HB VAL 39 -6.452 -4.553 -2.182 292 HG11 VAL 39 1HG1 VAL 39 -8.505 -4.563 -3.482 293 HG12 VAL 39 2HG1 VAL 39 -7.536 -3.140 -3.868 294 HG13 VAL 39 3HG1 VAL 39 -8.949 -2.988 -2.824 295 HG21 VAL 39 3HG2 VAL 39 -6.072 -2.128 -2.182 296 HG22 VAL 39 1HG2 VAL 39 -5.973 -2.804 -0.556 297 HG23 VAL 39 2HG2 VAL 39 -7.415 -1.921 -1.060 298 H ASN 40 H ASN 40 -8.727 -5.142 1.552 299 HA ASN 40 HA ASN 40 -6.017 -5.744 2.475 300 HB2 ASN 40 2HB ASN 40 -6.314 -3.413 2.944 301 HB3 ASN 40 1HB ASN 40 -7.902 -3.697 3.647 302 HD21 ASN 40 1HD2 ASN 40 -4.488 -4.318 4.021 303 HD22 ASN 40 2HD2 ASN 40 -4.506 -4.499 5.737 304 H ASP 41 H ASP 41 -9.265 -6.518 2.351 305 HA ASP 41 HA ASP 41 -9.579 -7.681 4.948 306 HB2 ASP 41 2HB ASP 41 -11.496 -6.945 3.518 307 HB3 ASP 41 1HB ASP 41 -11.137 -8.259 2.414 308 H THR 42 H THR 42 -8.505 -8.718 1.809 309 HA THR 42 HA THR 42 -7.598 -11.229 3.003 310 HB THR 42 HB THR 42 -8.671 -11.273 0.206 311 HG1 THR 42 1HG THR 42 -10.144 -11.081 2.594 312 HG21 THR 42 3HG2 THR 42 -7.407 -13.175 1.155 313 HG22 THR 42 1HG2 THR 42 -9.070 -13.599 0.747 314 HG23 THR 42 2HG2 THR 42 -8.622 -13.307 2.426 315 HA PRO 43 HA PRO 43 -4.386 -9.173 0.362 316 HB2 PRO 43 2HB PRO 43 -2.685 -8.376 2.312 317 HB3 PRO 43 1HB PRO 43 -4.056 -7.403 1.776 318 HG2 PRO 43 2HG PRO 43 -3.682 -8.874 4.292 319 HG3 PRO 43 1HG PRO 43 -4.795 -7.555 3.916 320 HD2 PRO 43 2HD PRO 43 -5.344 -10.372 4.036 321 HD3 PRO 43 1HD PRO 43 -6.473 -9.048 3.705 322 H GLU 44 H GLU 44 -4.652 -11.875 2.134 323 HA GLU 44 HA GLU 44 -3.576 -13.863 2.146 324 HB2 GLU 44 2HB GLU 44 -2.887 -13.425 -0.163 325 HB3 GLU 44 1HB GLU 44 -1.496 -12.518 0.415 326 HG2 GLU 44 2HG GLU 44 -0.601 -14.532 1.453 327 HG3 GLU 44 1HG GLU 44 -2.002 -15.446 0.902 328 H GLU 45 H GLU 45 -1.261 -11.195 2.487 329 HA GLU 45 HA GLU 45 0.537 -12.594 4.141 330 HB2 GLU 45 2HB GLU 45 0.949 -10.440 2.846 331 HB3 GLU 45 1HB GLU 45 0.138 -9.604 4.163 332 HG2 GLU 45 2HG GLU 45 1.842 -10.891 5.645 333 HG3 GLU 45 1HG GLU 45 2.740 -11.022 4.135 334 H GLU 46 H GLU 46 -1.476 -9.850 5.186 335 HA GLU 46 HA GLU 46 -2.229 -11.347 7.589 336 HB2 GLU 46 2HB GLU 46 -1.217 -8.490 7.556 337 HB3 GLU 46 1HB GLU 46 -1.932 -9.285 8.949 338 HG2 GLU 46 2HG GLU 46 -0.086 -10.958 8.845 339 HG3 GLU 46 1HG GLU 46 0.656 -9.976 7.585 340 H GLY 47 H GLY 47 -3.362 -8.496 8.334 341 HA2 GLY 47 2HA GLY 47 -5.130 -7.982 6.085 342 HA3 GLY 47 1HA GLY 47 -5.913 -8.433 7.593 343 H MET 48 H MET 48 -6.003 -6.994 9.258 344 HA MET 48 HA MET 48 -5.877 -4.284 8.804 345 HB2 MET 48 2HB MET 48 -7.047 -5.327 10.703 346 HB3 MET 48 1HB MET 48 -5.495 -5.655 11.463 347 HG2 MET 48 2HG MET 48 -5.225 -3.030 11.075 348 HG3 MET 48 1HG MET 48 -6.982 -3.116 11.197 349 HE1 MET 48 3HE MET 48 -3.560 -3.555 12.979 350 HE2 MET 48 1HE MET 48 -4.134 -5.221 12.968 351 HE3 MET 48 2HE MET 48 -4.003 -4.346 14.491 352 HA PRO 49 HA PRO 49 -1.464 -4.100 10.764 353 HB2 PRO 49 2HB PRO 49 -0.263 -6.712 10.164 354 HB3 PRO 49 1HB PRO 49 -0.313 -5.832 11.694 355 HG2 PRO 49 2HG PRO 49 -1.751 -8.063 11.328 356 HG3 PRO 49 1HG PRO 49 -2.376 -6.711 12.286 357 HD2 PRO 49 2HD PRO 49 -2.928 -7.414 9.423 358 HD3 PRO 49 1HD PRO 49 -4.085 -7.018 10.702 359 H LEU 50 H LEU 50 -2.063 -6.111 7.952 360 HA LEU 50 HA LEU 50 0.067 -5.357 6.310 361 HB2 LEU 50 2HB LEU 50 -1.659 -7.118 5.832 362 HB3 LEU 50 1HB LEU 50 -2.823 -5.851 5.526 363 HG LEU 50 HG LEU 50 -1.963 -6.895 3.473 364 HD11 LEU 50 1HD1 LEU 50 -1.418 -4.858 2.243 365 HD12 LEU 50 2HD1 LEU 50 -1.169 -4.008 3.772 366 HD13 LEU 50 3HD1 LEU 50 -2.772 -4.615 3.348 367 HD21 LEU 50 3HD2 LEU 50 0.278 -7.428 4.231 368 HD22 LEU 50 1HD2 LEU 50 0.680 -5.712 4.277 369 HD23 LEU 50 2HD2 LEU 50 0.315 -6.491 2.737 370 H ARG 51 H ARG 51 -3.106 -3.896 6.853 371 HA ARG 51 HA ARG 51 -2.808 -1.622 5.247 372 HB2 ARG 51 2HB ARG 51 -4.969 -1.826 5.952 373 HB3 ARG 51 1HB ARG 51 -4.517 -2.414 7.544 374 HG2 ARG 51 2HG ARG 51 -3.778 -0.026 8.031 375 HG3 ARG 51 1HG ARG 51 -4.646 0.419 6.563 376 HD2 ARG 51 2HD ARG 51 -6.715 -0.266 7.454 377 HD3 ARG 51 1HD ARG 51 -5.944 -1.152 8.771 378 HE ARG 51 HE ARG 51 -5.240 1.563 8.957 379 HH11 ARG 51 1HH1 ARG 51 -8.028 -0.522 9.386 380 HH12 ARG 51 2HH1 ARG 51 -8.768 0.503 10.577 381 HH21 ARG 51 1HH2 ARG 51 -6.204 2.894 10.545 382 HH22 ARG 51 2HH2 ARG 51 -7.732 2.437 11.230 383 H ALA 52 H ALA 52 -2.098 -2.130 8.667 384 HA ALA 52 HA ALA 52 -1.366 0.470 9.307 385 HB1 ALA 52 1HB ALA 52 -0.344 -0.455 11.290 386 HB2 ALA 52 2HB ALA 52 -0.306 -2.059 10.558 387 HB3 ALA 52 3HB ALA 52 -1.851 -1.308 10.952 388 H TRP 53 H TRP 53 0.741 -2.262 8.314 389 HA TRP 53 HA TRP 53 3.063 -0.620 8.533 390 HB2 TRP 53 2HB TRP 53 4.355 -2.473 7.948 391 HB3 TRP 53 1HB TRP 53 2.998 -3.127 8.831 392 HD1 TRP 53 HD TRP 53 1.864 -5.152 7.813 393 HE1 TRP 53 1HE TRP 53 1.967 -6.376 5.549 394 HE3 TRP 53 3HE TRP 53 4.637 -1.767 5.179 395 HZ2 TRP 53 2HZ TRP 53 3.067 -5.950 2.994 396 HZ3 TRP 53 3HZ TRP 53 5.186 -2.258 2.840 397 HH2 TRP 53 HH TRP 53 4.408 -4.306 1.764 398 H VAL 54 H VAL 54 1.012 -1.616 5.875 399 HA VAL 54 HA VAL 54 2.618 -0.603 3.791 400 HB VAL 54 HB VAL 54 -0.233 -1.362 4.094 401 HG11 VAL 54 1HG1 VAL 54 0.806 0.010 1.614 402 HG12 VAL 54 2HG1 VAL 54 -0.313 0.731 2.769 403 HG13 VAL 54 3HG1 VAL 54 -0.803 -0.682 1.835 404 HG21 VAL 54 3HG2 VAL 54 0.305 -2.865 2.244 405 HG22 VAL 54 1HG2 VAL 54 1.423 -3.057 3.595 406 HG23 VAL 54 2HG2 VAL 54 1.919 -2.165 2.155 407 H ILE 55 H ILE 55 -0.205 0.838 5.466 408 HA ILE 55 HA ILE 55 -0.040 3.363 4.283 409 HB ILE 55 HB ILE 55 -1.074 2.522 6.987 410 HG12 ILE 55 2HG1 ILE 55 -2.458 3.278 4.405 411 HG13 ILE 55 1HG1 ILE 55 -2.272 1.647 5.039 412 HG21 ILE 55 1HG2 ILE 55 -1.359 5.216 5.664 413 HG22 ILE 55 2HG2 ILE 55 -0.430 4.863 7.122 414 HG23 ILE 55 3HG2 ILE 55 -2.185 4.691 7.132 415 HD11 ILE 55 3HD1 ILE 55 -4.500 2.491 5.426 416 HD12 ILE 55 1HD1 ILE 55 -3.847 3.882 6.292 417 HD13 ILE 55 2HD1 ILE 55 -3.655 2.261 6.959 418 H LYS 56 H LYS 56 1.611 2.053 7.127 419 HA LYS 56 HA LYS 56 2.805 4.466 7.960 420 HB2 LYS 56 2HB LYS 56 2.674 2.442 9.370 421 HB3 LYS 56 1HB LYS 56 3.825 1.643 8.313 422 HG2 LYS 56 2HG LYS 56 4.952 2.415 10.285 423 HG3 LYS 56 1HG LYS 56 5.507 3.347 8.894 424 HD2 LYS 56 2HD LYS 56 5.160 4.833 10.760 425 HD3 LYS 56 1HD LYS 56 3.934 5.153 9.534 426 HE2 LYS 56 2HE LYS 56 2.957 5.156 11.766 427 HE3 LYS 56 1HE LYS 56 2.316 3.827 10.802 428 HZ1 LYS 56 3HZ LYS 56 4.485 3.580 12.818 429 HZ2 LYS 56 1HZ LYS 56 3.791 2.312 11.939 430 HZ3 LYS 56 2HZ LYS 56 2.865 3.158 13.075 431 H CYS 57 H CYS 57 4.066 1.830 5.920 432 HA CYS 57 HA CYS 57 6.595 2.968 5.464 433 HB2 CYS 57 2HB CYS 57 6.079 0.603 5.004 434 HB3 CYS 57 1HB CYS 57 5.025 1.090 3.681 435 HG CYS 57 HG CYS 57 8.071 2.363 3.339 436 H ALA 58 H ALA 58 3.603 3.105 3.557 437 HA ALA 58 HA ALA 58 4.609 4.689 1.462 438 HB1 ALA 58 1HB ALA 58 2.262 5.180 0.963 439 HB2 ALA 58 2HB ALA 58 1.791 4.515 2.527 440 HB3 ALA 58 3HB ALA 58 2.504 3.466 1.301 441 H HIS 59 H HIS 59 3.175 5.502 4.575 442 HA HIS 59 HA HIS 59 2.972 8.280 4.207 443 HB2 HIS 59 2HB HIS 59 2.011 6.826 6.097 444 HB3 HIS 59 1HB HIS 59 3.597 6.956 6.845 445 HD1 HIS 59 1HD HIS 59 1.348 8.061 8.432 446 HD2 HIS 59 2HD HIS 59 3.353 10.329 5.593 447 HE1 HIS 59 1HE HIS 59 0.910 10.449 9.045 448 HE2 HIS 59 2HE HIS 59 1.961 11.796 7.200 449 H GLU 60 H GLU 60 5.583 6.261 5.525 450 HA GLU 60 HA GLU 60 7.335 8.361 6.179 451 HB2 GLU 60 2HB GLU 60 8.018 5.530 5.363 452 HB3 GLU 60 1HB GLU 60 9.101 6.651 6.173 453 HG2 GLU 60 2HG GLU 60 7.615 6.684 8.114 454 HG3 GLU 60 1HG GLU 60 6.536 5.551 7.300 455 H ALA 61 H ALA 61 7.066 6.375 3.245 456 HA ALA 61 HA ALA 61 9.233 7.524 1.862 457 HB1 ALA 61 1HB ALA 61 8.198 5.397 1.211 458 HB2 ALA 61 2HB ALA 61 8.255 6.527 -0.140 459 HB3 ALA 61 3HB ALA 61 6.738 6.256 0.720 460 H LEU 62 H LEU 62 5.800 8.329 1.930 461 HA LEU 62 HA LEU 62 5.970 10.303 -0.133 462 HB2 LEU 62 2HB LEU 62 3.995 8.917 0.392 463 HB3 LEU 62 1HB LEU 62 3.804 9.775 1.904 464 HG LEU 62 HG LEU 62 2.193 10.435 0.143 465 HD11 LEU 62 1HD1 LEU 62 2.678 12.000 1.923 466 HD12 LEU 62 2HD1 LEU 62 2.394 12.847 0.404 467 HD13 LEU 62 3HD1 LEU 62 4.038 12.648 1.007 468 HD21 LEU 62 3HD2 LEU 62 3.600 10.172 -1.793 469 HD22 LEU 62 1HD2 LEU 62 4.614 11.517 -1.270 470 HD23 LEU 62 2HD2 LEU 62 2.935 11.801 -1.724 471 H GLU 63 H GLU 63 5.974 10.446 3.417 472 HA GLU 63 HA GLU 63 5.830 13.329 3.323 473 HB2 GLU 63 2HB GLU 63 5.916 11.271 5.467 474 HB3 GLU 63 1HB GLU 63 6.541 12.864 5.877 475 HG2 GLU 63 2HG GLU 63 3.828 12.407 4.673 476 HG3 GLU 63 1HG GLU 63 4.132 12.497 6.409 477 H LYS 64 H LYS 64 8.374 10.960 3.380 478 HA LYS 64 HA LYS 64 10.368 12.900 4.224 479 HB2 LYS 64 2HB LYS 64 10.406 10.328 4.638 480 HB3 LYS 64 1HB LYS 64 10.970 10.223 2.979 481 HG2 LYS 64 2HG LYS 64 12.353 11.954 4.991 482 HG3 LYS 64 1HG LYS 64 12.709 10.235 4.849 483 HD2 LYS 64 2HD LYS 64 13.443 10.506 2.591 484 HD3 LYS 64 1HD LYS 64 12.866 12.174 2.547 485 HE2 LYS 64 2HE LYS 64 15.313 12.016 2.825 486 HE3 LYS 64 1HE LYS 64 14.522 12.835 4.171 487 HZ1 LYS 64 3HZ LYS 64 14.680 10.820 5.467 488 HZ2 LYS 64 1HZ LYS 64 16.213 11.265 4.910 489 HZ3 LYS 64 2HZ LYS 64 15.382 9.992 4.172 490 H ASN 65 H ASN 65 9.200 11.291 1.369 491 HA ASN 65 HA ASN 65 10.376 13.422 -0.261 492 HB2 ASN 65 2HB ASN 65 11.686 11.429 -0.704 493 HB3 ASN 65 1HB ASN 65 10.226 10.476 -0.940 494 HD21 ASN 65 1HD2 ASN 65 8.926 10.899 -2.755 495 HD22 ASN 65 2HD2 ASN 65 9.636 11.586 -4.195 496 HA PRO 66 HA PRO 66 5.883 13.223 -0.950 497 HB2 PRO 66 2HB PRO 66 5.300 15.763 -0.550 498 HB3 PRO 66 1HB PRO 66 5.840 14.782 0.803 499 HG2 PRO 66 2HG PRO 66 7.430 16.708 -0.860 500 HG3 PRO 66 1HG PRO 66 7.365 16.551 0.906 501 HD2 PRO 66 2HD PRO 66 9.297 15.389 -0.705 502 HD3 PRO 66 1HD PRO 66 8.866 14.821 0.919 503 H LYS 67 H LYS 67 8.063 13.337 -2.919 504 HA LYS 67 HA LYS 67 6.752 14.949 -5.006 505 HB2 LYS 67 2HB LYS 67 9.673 14.235 -4.699 506 HB3 LYS 67 1HB LYS 67 8.991 15.028 -6.112 507 HG2 LYS 67 2HG LYS 67 8.327 16.930 -4.760 508 HG3 LYS 67 1HG LYS 67 8.933 16.130 -3.309 509 HD2 LYS 67 2HD LYS 67 10.655 16.793 -5.690 510 HD3 LYS 67 1HD LYS 67 10.465 17.860 -4.299 511 HE2 LYS 67 2HE LYS 67 11.336 16.100 -2.837 512 HE3 LYS 67 1HE LYS 67 11.517 15.034 -4.228 513 HZ1 LYS 67 3HZ LYS 67 13.606 16.092 -3.620 514 HZ2 LYS 67 1HZ LYS 67 12.926 17.623 -3.856 515 HZ3 LYS 67 2HZ LYS 67 13.117 16.568 -5.165 516 H ILE 68 H ILE 68 6.788 11.951 -3.978 517 HA ILE 68 HA ILE 68 7.080 10.670 -6.590 518 HB ILE 68 HB ILE 68 6.354 8.597 -5.283 519 HG12 ILE 68 2HG1 ILE 68 6.956 10.444 -2.965 520 HG13 ILE 68 1HG1 ILE 68 5.390 9.745 -3.361 521 HG21 ILE 68 1HG2 ILE 68 8.593 8.203 -4.420 522 HG22 ILE 68 2HG2 ILE 68 8.941 9.924 -4.533 523 HG23 ILE 68 3HG2 ILE 68 8.645 8.991 -5.997 524 HD11 ILE 68 3HD1 ILE 68 7.840 8.221 -2.515 525 HD12 ILE 68 1HD1 ILE 68 6.269 7.522 -2.904 526 HD13 ILE 68 2HD1 ILE 68 6.438 8.585 -1.509 527 H ARG 69 H ARG 69 5.294 9.189 -7.262 528 HA ARG 69 HA ARG 69 2.671 10.157 -6.374 529 HB2 ARG 69 2HB ARG 69 1.802 10.121 -8.623 530 HB3 ARG 69 1HB ARG 69 3.205 11.172 -8.557 531 HG2 ARG 69 2HG ARG 69 4.568 9.462 -9.600 532 HG3 ARG 69 1HG ARG 69 3.197 8.349 -9.604 533 HD2 ARG 69 2HD ARG 69 1.953 9.913 -11.037 534 HD3 ARG 69 1HD ARG 69 3.347 10.990 -11.060 535 HE ARG 69 HE ARG 69 4.272 8.554 -11.948 536 HH11 ARG 69 1HH1 ARG 69 1.826 10.845 -12.962 537 HH12 ARG 69 2HH1 ARG 69 1.962 10.436 -14.642 538 HH21 ARG 69 1HH2 ARG 69 4.459 8.027 -14.163 539 HH22 ARG 69 2HH2 ARG 69 3.470 8.848 -15.327 540 H GLU 70 H GLU 70 4.713 7.553 -6.743 541 HA GLU 70 HA GLU 70 2.725 5.839 -5.668 542 HB2 GLU 70 2HB GLU 70 2.801 4.100 -7.426 543 HB3 GLU 70 1HB GLU 70 2.043 5.598 -7.964 544 HG2 GLU 70 2HG GLU 70 4.080 6.228 -9.122 545 HG3 GLU 70 1HG GLU 70 4.883 4.771 -8.541 546 H VAL 71 H VAL 71 3.598 3.790 -4.940 547 HA VAL 71 HA VAL 71 6.514 3.515 -5.155 548 HB VAL 71 HB VAL 71 6.604 2.793 -2.756 549 HG11 VAL 71 1HG1 VAL 71 5.810 5.637 -3.340 550 HG12 VAL 71 2HG1 VAL 71 7.438 4.959 -3.341 551 HG13 VAL 71 3HG1 VAL 71 6.540 5.098 -1.829 552 HG21 VAL 71 3HG2 VAL 71 4.273 2.315 -2.359 553 HG22 VAL 71 1HG2 VAL 71 3.842 3.999 -2.666 554 HG23 VAL 71 2HG2 VAL 71 4.811 3.582 -1.252 555 H TYR 72 H TYR 72 7.305 1.380 -4.719 556 HA TYR 72 HA TYR 72 5.281 -0.699 -5.221 557 HB2 TYR 72 2HB TYR 72 8.141 -0.411 -6.085 558 HB3 TYR 72 1HB TYR 72 7.412 -2.009 -5.969 559 HD1 TYR 72 1HD TYR 72 7.254 1.240 -7.720 560 HD2 TYR 72 2HD TYR 72 5.838 -2.768 -7.570 561 HE1 TYR 72 1HE TYR 72 6.276 1.503 -9.965 562 HE2 TYR 72 2HE TYR 72 4.863 -2.517 -9.807 563 HH TYR 72 HH TYR 72 5.593 0.092 -11.853 564 H LEU 73 H LEU 73 4.851 -1.959 -3.574 565 HA LEU 73 HA LEU 73 6.870 -2.221 -1.456 566 HB2 LEU 73 2HB LEU 73 3.938 -1.882 -1.423 567 HB3 LEU 73 1HB LEU 73 4.601 -2.990 -0.236 568 HG LEU 73 HG LEU 73 5.393 -0.095 -0.565 569 HD11 LEU 73 1HD1 LEU 73 4.279 0.204 1.594 570 HD12 LEU 73 2HD1 LEU 73 3.768 -1.485 1.566 571 HD13 LEU 73 3HD1 LEU 73 3.151 -0.354 0.360 572 HD21 LEU 73 3HD2 LEU 73 6.514 -0.602 1.678 573 HD22 LEU 73 1HD2 LEU 73 7.294 -1.226 0.223 574 HD23 LEU 73 2HD2 LEU 73 6.339 -2.304 1.237 575 H LYS 74 H LYS 74 7.459 -4.128 -0.698 576 HA LYS 74 HA LYS 74 6.162 -6.531 -1.794 577 HB2 LYS 74 2HB LYS 74 8.530 -6.181 -2.541 578 HB3 LYS 74 1HB LYS 74 9.028 -6.226 -0.859 579 HG2 LYS 74 2HG LYS 74 9.475 -8.356 -1.772 580 HG3 LYS 74 1HG LYS 74 8.065 -8.534 -0.729 581 HD2 LYS 74 2HD LYS 74 6.614 -8.390 -2.727 582 HD3 LYS 74 1HD LYS 74 8.053 -8.297 -3.739 583 HE2 LYS 74 2HE LYS 74 7.324 -10.582 -1.915 584 HE3 LYS 74 1HE LYS 74 7.132 -10.565 -3.667 585 HZ1 LYS 74 3HZ LYS 74 9.157 -11.719 -2.954 586 HZ2 LYS 74 1HZ LYS 74 9.736 -10.289 -2.257 587 HZ3 LYS 74 2HZ LYS 74 9.501 -10.384 -3.927 588 HA PRO 75 HA PRO 75 4.514 -7.233 2.291 589 HB2 PRO 75 2HB PRO 75 5.229 -10.005 1.411 590 HB3 PRO 75 1HB PRO 75 3.759 -9.427 2.204 591 HG2 PRO 75 2HG PRO 75 3.845 -9.868 -0.431 592 HG3 PRO 75 1HG PRO 75 2.896 -8.547 0.260 593 HD2 PRO 75 2HD PRO 75 5.368 -8.437 -1.316 594 HD3 PRO 75 1HD PRO 75 4.168 -7.171 -1.027 595 H ARG 76 H ARG 76 5.277 -7.557 4.296 596 HA ARG 76 HA ARG 76 8.069 -7.758 4.783 597 HB2 ARG 76 2HB ARG 76 5.786 -8.199 6.710 598 HB3 ARG 76 1HB ARG 76 7.458 -7.888 7.146 599 HG2 ARG 76 2HG ARG 76 7.265 -5.668 6.025 600 HG3 ARG 76 1HG ARG 76 5.542 -5.986 5.818 601 HD2 ARG 76 2HD ARG 76 6.968 -5.966 8.473 602 HD3 ARG 76 1HD ARG 76 6.094 -4.590 7.807 603 HE ARG 76 HE ARG 76 4.404 -6.851 7.880 604 HH11 ARG 76 1HH1 ARG 76 5.947 -4.548 10.009 605 HH12 ARG 76 2HH1 ARG 76 4.690 -4.605 11.201 606 HH21 ARG 76 1HH2 ARG 76 2.710 -6.915 9.452 607 HH22 ARG 76 2HH2 ARG 76 2.869 -5.955 10.893 608 H ALA 77 H ALA 77 5.372 -9.967 4.740 609 HA ALA 77 HA ALA 77 6.975 -12.258 5.424 610 HB1 ALA 77 1HB ALA 77 4.280 -12.183 4.068 611 HB2 ALA 77 2HB ALA 77 4.520 -12.181 5.814 612 HB3 ALA 77 3HB ALA 77 5.032 -13.570 4.856 613 H VAL 78 H VAL 78 8.677 -11.719 3.946 614 HA VAL 78 HA VAL 78 8.478 -11.481 1.182 615 HB VAL 78 HB VAL 78 10.766 -12.765 2.685 616 HG11 VAL 78 1HG1 VAL 78 10.965 -13.048 0.297 617 HG12 VAL 78 2HG1 VAL 78 12.136 -11.851 0.849 618 HG13 VAL 78 3HG1 VAL 78 10.658 -11.331 0.038 619 HG21 VAL 78 3HG2 VAL 78 10.201 -10.640 3.710 620 HG22 VAL 78 1HG2 VAL 78 10.233 -9.849 2.135 621 HG23 VAL 78 2HG2 VAL 78 11.718 -10.505 2.822 622 H LYS 79 H LYS 79 8.291 -14.272 3.200 623 HA LYS 79 HA LYS 79 8.843 -16.353 1.444 624 HB2 LYS 79 2HB LYS 79 7.359 -17.706 2.902 625 HB3 LYS 79 1HB LYS 79 8.507 -16.730 3.811 626 HG2 LYS 79 2HG LYS 79 6.759 -15.084 4.258 627 HG3 LYS 79 1HG LYS 79 5.608 -16.058 3.344 628 HD2 LYS 79 2HD LYS 79 5.892 -17.891 4.933 629 HD3 LYS 79 1HD LYS 79 7.058 -16.927 5.841 630 HE2 LYS 79 2HE LYS 79 5.330 -15.260 6.296 631 HE3 LYS 79 1HE LYS 79 4.164 -16.210 5.378 632 HZ1 LYS 79 3HZ LYS 79 4.406 -17.995 6.986 633 HZ2 LYS 79 1HZ LYS 79 3.929 -16.563 7.749 634 HZ3 LYS 79 2HZ LYS 79 5.532 -17.087 7.865 635 H ASN 80 H ASN 80 6.138 -14.192 1.500 636 HA ASN 80 HA ASN 80 4.165 -15.811 0.314 637 HB2 ASN 80 2HB ASN 80 4.594 -12.830 0.363 638 HB3 ASN 80 1HB ASN 80 3.240 -13.563 -0.480 639 HD21 ASN 80 1HD2 ASN 80 1.914 -12.339 0.904 640 HD22 ASN 80 2HD2 ASN 80 1.565 -12.906 2.492 641 H SER 81 H SER 81 6.671 -13.769 -1.050 642 HA SER 81 HA SER 81 7.722 -13.770 -3.038 643 HB2 SER 81 2HB SER 81 6.260 -16.348 -3.614 644 HB3 SER 81 1HB SER 81 7.751 -15.779 -4.367 645 HG SER 81 HG SER 81 7.423 -16.369 -1.604 646 H SER 82 H SER 82 4.613 -15.235 -4.050 647 HA SER 82 HA SER 82 4.770 -13.620 -6.451 648 HB2 SER 82 2HB SER 82 2.789 -15.782 -5.718 649 HB3 SER 82 1HB SER 82 3.075 -15.117 -7.326 650 HG SER 82 HG SER 82 5.198 -15.952 -7.219 651 H VAL 83 H VAL 83 4.047 -12.186 -4.038 652 HA VAL 83 HA VAL 83 1.634 -10.981 -5.154 653 HB VAL 83 HB VAL 83 0.784 -12.327 -3.300 654 HG11 VAL 83 1HG1 VAL 83 1.488 -12.081 -1.042 655 HG12 VAL 83 2HG1 VAL 83 2.525 -10.717 -1.461 656 HG13 VAL 83 3HG1 VAL 83 2.936 -12.332 -2.025 657 HG21 VAL 83 3HG2 VAL 83 -0.339 -10.222 -3.717 658 HG22 VAL 83 1HG2 VAL 83 0.822 -9.374 -2.689 659 HG23 VAL 83 2HG2 VAL 83 -0.293 -10.538 -1.978 660 H GLN 84 H GLN 84 1.819 -8.849 -5.351 661 HA GLN 84 HA GLN 84 3.889 -7.473 -3.767 662 HB2 GLN 84 2HB GLN 84 3.284 -7.087 -6.708 663 HB3 GLN 84 1HB GLN 84 4.332 -6.042 -5.765 664 HG2 GLN 84 2HG GLN 84 5.795 -7.443 -6.904 665 HG3 GLN 84 1HG GLN 84 5.707 -8.142 -5.289 666 HE21 GLN 84 1HE2 GLN 84 6.358 -10.154 -6.030 667 HE22 GLN 84 2HE2 GLN 84 5.327 -11.179 -6.955 668 H PHE 85 H PHE 85 3.474 -5.283 -3.290 669 HA PHE 85 HA PHE 85 0.667 -4.498 -3.685 670 HB2 PHE 85 2HB PHE 85 2.563 -3.901 -1.418 671 HB3 PHE 85 1HB PHE 85 1.073 -2.996 -1.671 672 HD1 PHE 85 1HD PHE 85 -1.112 -4.190 -1.572 673 HD2 PHE 85 2HD PHE 85 2.538 -6.030 -0.393 674 HE1 PHE 85 1HE PHE 85 -2.379 -5.903 -0.341 675 HE2 PHE 85 2HE PHE 85 1.273 -7.745 0.841 676 HZ PHE 85 HZ PHE 85 -1.183 -7.684 0.865 677 H HIS 86 H HIS 86 0.301 -2.822 -4.910 678 HA HIS 86 HA HIS 86 2.548 -1.021 -5.542 679 HB2 HIS 86 2HB HIS 86 1.708 -2.401 -7.436 680 HB3 HIS 86 1HB HIS 86 0.119 -1.687 -7.219 681 HD1 HIS 86 1HD HIS 86 -0.054 -0.489 -9.435 682 HD2 HIS 86 2HD HIS 86 3.427 0.448 -7.344 683 HE1 HIS 86 1HE HIS 86 1.022 1.393 -10.705 684 HE2 HIS 86 2HE HIS 86 3.132 1.943 -9.445 685 H VAL 87 H VAL 87 2.292 0.688 -4.215 686 HA VAL 87 HA VAL 87 -0.419 1.663 -3.709 687 HB VAL 87 HB VAL 87 2.194 2.392 -2.381 688 HG11 VAL 87 1HG1 VAL 87 0.689 4.311 -2.430 689 HG12 VAL 87 2HG1 VAL 87 0.847 3.674 -0.793 690 HG13 VAL 87 3HG1 VAL 87 -0.600 3.325 -1.741 691 HG21 VAL 87 3HG2 VAL 87 1.243 1.267 -0.428 692 HG22 VAL 87 1HG2 VAL 87 1.391 0.167 -1.799 693 HG23 VAL 87 2HG2 VAL 87 -0.182 0.839 -1.373 694 H ILE 88 H ILE 88 -1.166 3.131 -5.011 695 HA ILE 88 HA ILE 88 0.690 4.958 -6.359 696 HB ILE 88 HB ILE 88 -2.173 4.224 -6.988 697 HG12 ILE 88 2HG1 ILE 88 0.394 3.715 -8.506 698 HG13 ILE 88 1HG1 ILE 88 -0.448 2.522 -7.521 699 HG21 ILE 88 1HG2 ILE 88 -1.913 5.595 -9.007 700 HG22 ILE 88 2HG2 ILE 88 -0.334 6.130 -8.429 701 HG23 ILE 88 3HG2 ILE 88 -1.791 6.562 -7.534 702 HD11 ILE 88 3HD1 ILE 88 -1.532 3.856 -9.990 703 HD12 ILE 88 1HD1 ILE 88 -2.379 2.666 -9.002 704 HD13 ILE 88 2HD1 ILE 88 -0.917 2.206 -9.876 705 H PHE 89 H PHE 89 0.461 7.152 -6.190 706 HA PHE 89 HA PHE 89 -1.164 8.024 -3.916 707 HB2 PHE 89 2HB PHE 89 1.338 9.114 -5.173 708 HB3 PHE 89 1HB PHE 89 0.387 10.028 -4.007 709 HD1 PHE 89 2HD PHE 89 -0.183 8.824 -1.810 710 HD2 PHE 89 1HD PHE 89 2.975 7.679 -4.414 711 HE1 PHE 89 2HE PHE 89 0.886 7.601 0.030 712 HE2 PHE 89 1HE PHE 89 4.046 6.445 -2.577 713 HZ PHE 89 HZ PHE 89 2.983 6.412 -0.366 714 H ASP 90 H ASP 90 -3.086 8.759 -4.627 715 HA ASP 90 HA ASP 90 -3.203 10.452 -7.014 716 HB2 ASP 90 2HB ASP 90 -5.397 9.367 -5.229 717 HB3 ASP 90 1HB ASP 90 -5.676 10.408 -6.618 718 H GLU 91 H GLU 91 -2.965 12.617 -6.746 719 HA GLU 91 HA GLU 91 -3.129 13.609 -4.021 720 HB2 GLU 91 2HB GLU 91 -2.080 15.663 -4.908 721 HB3 GLU 91 1HB GLU 91 -1.134 14.217 -5.204 722 HG2 GLU 91 2HG GLU 91 -1.835 14.182 -7.511 723 HG3 GLU 91 1HG GLU 91 -2.896 15.566 -7.234 724 H GLU 92 H GLU 92 -4.940 14.327 -3.288 725 HA GLU 92 HA GLU 92 -6.556 16.144 -4.901 726 HB2 GLU 92 2HB GLU 92 -7.697 13.842 -3.293 727 HB3 GLU 92 1HB GLU 92 -8.628 15.054 -4.164 728 HG2 GLU 92 2HG GLU 92 -7.493 14.252 -6.259 729 HG3 GLU 92 1HG GLU 92 -6.859 12.913 -5.308 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 2.195 -24.644 -20.700 2 H2 GLY 1 2HT GLY 1 1.701 -26.188 -20.236 3 H3 GLY 1 3HT GLY 1 3.056 -25.999 -21.229 4 HA2 GLY 1 1HA GLY 1 3.742 -26.501 -18.982 5 HA3 GLY 1 2HA GLY 1 4.249 -24.887 -19.457 6 H SER 2 H SER 2 2.408 -23.191 -18.983 7 HA SER 2 HA SER 2 2.067 -23.306 -16.125 8 HB2 SER 2 2HB SER 2 1.294 -21.131 -18.085 9 HB3 SER 2 1HB SER 2 1.383 -20.969 -16.330 10 HG SER 2 HG SER 2 3.442 -21.167 -18.221 11 H ALA 3 H ALA 3 0.550 -25.198 -16.432 12 HA ALA 3 HA ALA 3 -2.094 -24.723 -17.403 13 HB1 ALA 3 1HB ALA 3 -2.620 -26.894 -16.400 14 HB2 ALA 3 2HB ALA 3 -1.055 -26.898 -15.586 15 HB3 ALA 3 3HB ALA 3 -1.136 -26.968 -17.348 16 H MET 4 H MET 4 -0.702 -25.047 -14.160 17 HA MET 4 HA MET 4 -3.028 -23.616 -13.054 18 HB2 MET 4 2HB MET 4 -0.870 -25.190 -11.626 19 HB3 MET 4 1HB MET 4 -2.241 -24.407 -10.856 20 HG2 MET 4 2HG MET 4 -3.764 -25.901 -12.029 21 HG3 MET 4 1HG MET 4 -2.396 -26.676 -12.828 22 HE1 MET 4 3HE MET 4 -3.144 -29.077 -11.998 23 HE2 MET 4 1HE MET 4 -4.562 -28.344 -11.245 24 HE3 MET 4 2HE MET 4 -3.544 -29.447 -10.321 25 H GLY 5 H GLY 5 -0.291 -22.882 -14.423 26 HA2 GLY 5 2HA GLY 5 0.842 -20.820 -14.337 27 HA3 GLY 5 1HA GLY 5 0.268 -20.601 -12.688 28 H HIS 6 H HIS 6 2.871 -20.086 -13.168 29 HA HIS 6 HA HIS 6 4.109 -22.154 -11.526 30 HB2 HIS 6 2HB HIS 6 4.654 -22.612 -13.969 31 HB3 HIS 6 1HB HIS 6 5.544 -21.095 -13.964 32 HD1 HIS 6 1HD HIS 6 7.957 -21.692 -13.919 33 HD2 HIS 6 2HD HIS 6 5.712 -24.087 -11.366 34 HE1 HIS 6 1HE HIS 6 9.616 -23.180 -12.753 35 HE2 HIS 6 2HE HIS 6 8.231 -24.667 -11.261 36 H MET 7 H MET 7 4.129 -18.953 -12.918 37 HA MET 7 HA MET 7 5.383 -17.976 -10.447 38 HB2 MET 7 2HB MET 7 5.842 -16.916 -13.246 39 HB3 MET 7 1HB MET 7 6.397 -16.126 -11.777 40 HG2 MET 7 2HG MET 7 7.240 -18.853 -12.728 41 HG3 MET 7 1HG MET 7 8.176 -17.371 -12.891 42 HE1 MET 7 3HE MET 7 7.654 -15.917 -10.109 43 HE2 MET 7 1HE MET 7 9.246 -16.058 -10.854 44 HE3 MET 7 2HE MET 7 9.020 -16.513 -9.165 45 HA PRO 8 HA PRO 8 1.255 -16.019 -11.281 46 HB2 PRO 8 2HB PRO 8 0.404 -16.844 -8.658 47 HB3 PRO 8 1HB PRO 8 -0.200 -17.391 -10.222 48 HG2 PRO 8 2HG PRO 8 1.197 -18.981 -8.475 49 HG3 PRO 8 1HG PRO 8 1.128 -19.247 -10.226 50 HD2 PRO 8 2HD PRO 8 3.274 -17.951 -8.587 51 HD3 PRO 8 1HD PRO 8 3.425 -19.071 -9.959 52 H ALA 9 H ALA 9 2.734 -14.139 -11.032 53 HA ALA 9 HA ALA 9 3.080 -13.094 -8.357 54 HB1 ALA 9 1HB ALA 9 4.863 -12.831 -10.018 55 HB2 ALA 9 2HB ALA 9 4.278 -11.268 -9.443 56 HB3 ALA 9 3HB ALA 9 3.780 -11.869 -11.025 57 H VAL 10 H VAL 10 1.403 -12.208 -7.397 58 HA VAL 10 HA VAL 10 -0.573 -10.730 -8.985 59 HB VAL 10 HB VAL 10 -0.748 -11.629 -6.101 60 HG11 VAL 10 1HG1 VAL 10 -2.839 -10.535 -7.977 61 HG12 VAL 10 2HG1 VAL 10 -2.160 -9.720 -6.566 62 HG13 VAL 10 3HG1 VAL 10 -3.149 -11.166 -6.360 63 HG21 VAL 10 3HG2 VAL 10 -0.636 -13.553 -7.582 64 HG22 VAL 10 1HG2 VAL 10 -1.935 -12.887 -8.569 65 HG23 VAL 10 2HG2 VAL 10 -2.256 -13.380 -6.907 66 H ASP 11 H ASP 11 -0.354 -8.577 -9.034 67 HA ASP 11 HA ASP 11 0.854 -7.308 -6.677 68 HB2 ASP 11 2HB ASP 11 1.772 -5.592 -8.048 69 HB3 ASP 11 1HB ASP 11 2.171 -7.122 -8.810 70 H VAL 12 H VAL 12 -0.391 -6.124 -5.506 71 HA VAL 12 HA VAL 12 -3.081 -5.463 -6.421 72 HB VAL 12 HB VAL 12 -1.788 -5.304 -3.692 73 HG11 VAL 12 1HG1 VAL 12 -3.556 -3.612 -3.987 74 HG12 VAL 12 2HG1 VAL 12 -3.977 -4.843 -2.797 75 HG13 VAL 12 3HG1 VAL 12 -4.685 -4.900 -4.413 76 HG21 VAL 12 3HG2 VAL 12 -3.819 -7.230 -4.811 77 HG22 VAL 12 1HG2 VAL 12 -3.224 -7.209 -3.151 78 HG23 VAL 12 2HG2 VAL 12 -2.124 -7.585 -4.479 79 H GLU 13 H GLU 13 -3.855 -3.370 -6.630 80 HA GLU 13 HA GLU 13 -1.845 -1.257 -6.326 81 HB2 GLU 13 2HB GLU 13 -3.274 0.074 -7.878 82 HB3 GLU 13 1HB GLU 13 -2.601 -1.379 -8.598 83 HG2 GLU 13 2HG GLU 13 -4.730 -2.513 -8.366 84 HG3 GLU 13 1HG GLU 13 -5.412 -1.102 -7.558 85 H ILE 14 H ILE 14 -2.019 -0.188 -4.518 86 HA ILE 14 HA ILE 14 -4.679 0.300 -3.369 87 HB ILE 14 HB ILE 14 -1.959 0.689 -2.077 88 HG12 ILE 14 2HG1 ILE 14 -3.989 -1.548 -1.811 89 HG13 ILE 14 1HG1 ILE 14 -2.342 -1.681 -2.417 90 HG21 ILE 14 1HG2 ILE 14 -3.669 2.162 -1.160 91 HG22 ILE 14 2HG2 ILE 14 -3.225 0.920 0.010 92 HG23 ILE 14 3HG2 ILE 14 -4.735 0.784 -0.891 93 HD11 ILE 14 3HD1 ILE 14 -2.506 -2.575 -0.172 94 HD12 ILE 14 1HD1 ILE 14 -3.156 -1.045 0.417 95 HD13 ILE 14 2HD1 ILE 14 -1.496 -1.131 -0.176 96 H HIS 15 H HIS 15 -5.207 2.510 -2.724 97 HA HIS 15 HA HIS 15 -3.516 4.547 -4.012 98 HB2 HIS 15 2HB HIS 15 -6.540 4.493 -4.100 99 HB3 HIS 15 1HB HIS 15 -5.496 5.706 -4.831 100 HD1 HIS 15 1HD HIS 15 -6.950 2.365 -5.383 101 HD2 HIS 15 2HD HIS 15 -4.058 4.781 -7.136 102 HE1 HIS 15 1HE HIS 15 -6.496 1.345 -7.634 103 HE2 HIS 15 2HE HIS 15 -4.908 2.947 -8.753 104 H PHE 16 H PHE 16 -3.302 6.455 -2.924 105 HA PHE 16 HA PHE 16 -5.040 6.985 -0.628 106 HB2 PHE 16 2HB PHE 16 -2.014 7.013 -0.555 107 HB3 PHE 16 1HB PHE 16 -3.037 7.701 0.692 108 HD1 PHE 16 2HD PHE 16 -4.965 5.894 1.443 109 HD2 PHE 16 1HD PHE 16 -1.070 5.022 -0.017 110 HE1 PHE 16 2HE PHE 16 -5.025 3.723 2.595 111 HE2 PHE 16 1HE PHE 16 -1.122 2.848 1.128 112 HZ PHE 16 HZ PHE 16 -3.101 2.198 2.439 113 HA PRO 17 HA PRO 17 -4.984 11.093 -2.512 114 HB2 PRO 17 2HB PRO 17 -5.787 12.413 -0.213 115 HB3 PRO 17 1HB PRO 17 -6.885 11.679 -1.385 116 HG2 PRO 17 2HG PRO 17 -5.865 10.574 1.204 117 HG3 PRO 17 1HG PRO 17 -7.504 10.507 0.525 118 HD2 PRO 17 2HD PRO 17 -5.914 8.385 0.392 119 HD3 PRO 17 1HD PRO 17 -6.938 8.831 -0.983 120 H LEU 18 H LEU 18 -3.114 11.934 -2.854 121 HA LEU 18 HA LEU 18 -0.756 11.794 -1.535 122 HB2 LEU 18 2HB LEU 18 -1.320 12.709 -3.847 123 HB3 LEU 18 1HB LEU 18 -1.649 14.234 -3.068 124 HG LEU 18 HG LEU 18 0.518 14.255 -4.143 125 HD11 LEU 18 1HD1 LEU 18 0.808 14.252 -1.152 126 HD12 LEU 18 2HD1 LEU 18 0.314 15.614 -2.159 127 HD13 LEU 18 3HD1 LEU 18 1.946 14.958 -2.299 128 HD21 LEU 18 3HD2 LEU 18 1.153 11.997 -4.186 129 HD22 LEU 18 1HD2 LEU 18 1.104 11.871 -2.427 130 HD23 LEU 18 2HD2 LEU 18 2.358 12.832 -3.206 131 H LYS 19 H LYS 19 -3.078 14.469 -1.215 132 HA LYS 19 HA LYS 19 -1.401 15.849 0.636 133 HB2 LYS 19 2HB LYS 19 -3.609 17.252 0.894 134 HB3 LYS 19 1HB LYS 19 -2.587 17.397 -0.523 135 HG2 LYS 19 2HG LYS 19 -4.722 17.297 -1.401 136 HG3 LYS 19 1HG LYS 19 -4.150 15.642 -1.566 137 HD2 LYS 19 2HD LYS 19 -5.391 14.992 0.415 138 HD3 LYS 19 1HD LYS 19 -5.925 16.661 0.653 139 HE2 LYS 19 2HE LYS 19 -6.943 16.519 -1.647 140 HE3 LYS 19 1HE LYS 19 -6.576 14.798 -1.604 141 HZ1 LYS 19 3HZ LYS 19 -7.995 14.558 0.315 142 HZ2 LYS 19 1HZ LYS 19 -8.857 15.258 -0.959 143 HZ3 LYS 19 2HZ LYS 19 -8.321 16.217 0.326 144 H ARG 20 H ARG 20 -3.733 13.383 1.074 145 HA ARG 20 HA ARG 20 -4.233 14.296 3.815 146 HB2 ARG 20 2HB ARG 20 -6.017 13.364 1.977 147 HB3 ARG 20 1HB ARG 20 -5.679 11.909 2.906 148 HG2 ARG 20 2HG ARG 20 -6.495 12.807 4.880 149 HG3 ARG 20 1HG ARG 20 -6.328 14.469 4.309 150 HD2 ARG 20 2HD ARG 20 -8.154 14.146 2.755 151 HD3 ARG 20 1HD ARG 20 -8.289 12.455 3.224 152 HE ARG 20 HE ARG 20 -8.580 14.129 5.489 153 HH11 ARG 20 1HH1 ARG 20 -10.260 13.051 2.622 154 HH12 ARG 20 2HH1 ARG 20 -11.842 13.308 3.287 155 HH21 ARG 20 1HH2 ARG 20 -10.665 14.426 6.406 156 HH22 ARG 20 2HH2 ARG 20 -12.072 14.076 5.445 157 H ILE 21 H ILE 21 -2.927 11.538 2.017 158 HA ILE 21 HA ILE 21 -2.394 9.952 4.332 159 HB ILE 21 HB ILE 21 -2.441 8.933 2.120 160 HG12 ILE 21 2HG1 ILE 21 -0.398 7.573 2.256 161 HG13 ILE 21 1HG1 ILE 21 0.325 8.760 3.335 162 HG21 ILE 21 1HG2 ILE 21 -1.556 10.737 0.784 163 HG22 ILE 21 2HG2 ILE 21 -0.600 9.278 0.519 164 HG23 ILE 21 3HG2 ILE 21 0.021 10.566 1.550 165 HD11 ILE 21 3HD1 ILE 21 -2.139 7.145 3.943 166 HD12 ILE 21 1HD1 ILE 21 -1.317 8.264 5.030 167 HD13 ILE 21 2HD1 ILE 21 -0.509 6.785 4.514 168 H ALA 22 H ALA 22 -0.834 12.631 2.801 169 HA ALA 22 HA ALA 22 1.691 12.324 4.131 170 HB1 ALA 22 1HB ALA 22 0.526 14.739 2.750 171 HB2 ALA 22 2HB ALA 22 1.475 13.476 1.968 172 HB3 ALA 22 3HB ALA 22 2.215 14.499 3.197 173 H ALA 23 H ALA 23 -1.351 13.336 5.106 174 HA ALA 23 HA ALA 23 -0.465 15.413 6.915 175 HB1 ALA 23 1HB ALA 23 -2.804 15.638 7.517 176 HB2 ALA 23 2HB ALA 23 -3.200 14.186 6.598 177 HB3 ALA 23 3HB ALA 23 -2.620 15.626 5.764 178 H GLU 24 H GLU 24 -1.378 15.252 9.231 179 HA GLU 24 HA GLU 24 -0.098 13.013 10.453 180 HB2 GLU 24 2HB GLU 24 -1.833 15.161 11.693 181 HB3 GLU 24 1HB GLU 24 -0.860 14.008 12.587 182 HG2 GLU 24 2HG GLU 24 0.279 16.103 12.542 183 HG3 GLU 24 1HG GLU 24 1.166 14.963 11.533 184 H GLY 25 H GLY 25 -3.440 14.163 10.351 185 HA2 GLY 25 2HA GLY 25 -4.436 11.695 11.479 186 HA3 GLY 25 1HA GLY 25 -5.396 13.072 10.963 187 H TYR 26 H TYR 26 -3.391 10.450 9.645 188 HA TYR 26 HA TYR 26 -4.476 10.595 7.045 189 HB2 TYR 26 2HB TYR 26 -3.551 8.212 6.842 190 HB3 TYR 26 1HB TYR 26 -2.403 9.495 7.200 191 HD1 TYR 26 1HD TYR 26 -4.258 6.645 8.667 192 HD2 TYR 26 2HD TYR 26 -1.140 9.487 9.215 193 HE1 TYR 26 1HE TYR 26 -3.460 5.386 10.624 194 HE2 TYR 26 2HE TYR 26 -0.336 8.237 11.171 195 HH TYR 26 HH TYR 26 -1.266 6.642 12.849 196 H ALA 27 H ALA 27 -5.461 8.861 9.933 197 HA ALA 27 HA ALA 27 -7.363 7.204 8.558 198 HB1 ALA 27 1HB ALA 27 -6.264 6.483 10.639 199 HB2 ALA 27 2HB ALA 27 -8.024 6.438 10.753 200 HB3 ALA 27 3HB ALA 27 -7.125 7.752 11.511 201 H GLU 28 H GLU 28 -7.383 10.398 9.015 202 HA GLU 28 HA GLU 28 -10.141 10.748 9.806 203 HB2 GLU 28 2HB GLU 28 -8.043 12.366 10.016 204 HB3 GLU 28 1HB GLU 28 -8.551 12.867 8.413 205 HG2 GLU 28 2HG GLU 28 -10.436 12.852 10.741 206 HG3 GLU 28 1HG GLU 28 -9.376 14.215 10.405 207 H ASP 29 H ASP 29 -8.299 10.218 6.951 208 HA ASP 29 HA ASP 29 -10.237 11.173 5.067 209 HB2 ASP 29 2HB ASP 29 -7.853 11.045 4.493 210 HB3 ASP 29 1HB ASP 29 -7.891 9.302 4.688 211 H GLU 30 H GLU 30 -12.094 10.215 4.677 212 HA GLU 30 HA GLU 30 -12.812 7.726 5.788 213 HB2 GLU 30 2HB GLU 30 -14.295 9.746 5.114 214 HB3 GLU 30 1HB GLU 30 -14.273 9.036 3.506 215 HG2 GLU 30 2HG GLU 30 -16.265 8.368 4.680 216 HG3 GLU 30 1HG GLU 30 -15.222 6.968 4.424 217 H LEU 31 H LEU 31 -11.708 8.764 2.656 218 HA LEU 31 HA LEU 31 -12.256 6.460 1.164 219 HB2 LEU 31 2HB LEU 31 -11.548 8.692 0.275 220 HB3 LEU 31 1HB LEU 31 -9.922 8.334 0.842 221 HG LEU 31 HG LEU 31 -9.894 6.347 -0.656 222 HD11 LEU 31 1HD1 LEU 31 -12.277 5.971 -0.853 223 HD12 LEU 31 2HD1 LEU 31 -11.557 6.212 -2.443 224 HD13 LEU 31 3HD1 LEU 31 -12.470 7.514 -1.683 225 HD21 LEU 31 3HD2 LEU 31 -9.520 7.584 -2.685 226 HD22 LEU 31 1HD2 LEU 31 -8.897 8.484 -1.304 227 HD23 LEU 31 2HD2 LEU 31 -10.424 8.959 -2.046 228 H LEU 32 H LEU 32 -9.482 7.392 3.145 229 HA LEU 32 HA LEU 32 -7.726 5.328 2.569 230 HB2 LEU 32 2HB LEU 32 -7.911 7.431 4.350 231 HB3 LEU 32 1HB LEU 32 -7.846 6.027 5.388 232 HG LEU 32 HG LEU 32 -5.789 5.441 3.808 233 HD11 LEU 32 1HD1 LEU 32 -6.103 7.411 2.392 234 HD12 LEU 32 2HD1 LEU 32 -4.539 7.429 3.209 235 HD13 LEU 32 3HD1 LEU 32 -5.854 8.449 3.795 236 HD21 LEU 32 3HD2 LEU 32 -5.714 5.635 6.234 237 HD22 LEU 32 1HD2 LEU 32 -5.667 7.392 6.095 238 HD23 LEU 32 2HD2 LEU 32 -4.324 6.422 5.488 239 H LEU 33 H LEU 33 -10.359 5.534 4.868 240 HA LEU 33 HA LEU 33 -10.087 3.007 6.057 241 HB2 LEU 33 2HB LEU 33 -12.061 5.143 5.925 242 HB3 LEU 33 1HB LEU 33 -12.722 3.560 6.254 243 HG LEU 33 HG LEU 33 -12.267 4.838 8.298 244 HD11 LEU 33 1HD1 LEU 33 -12.187 2.402 8.358 245 HD12 LEU 33 2HD1 LEU 33 -11.063 3.123 9.506 246 HD13 LEU 33 3HD1 LEU 33 -10.464 2.454 7.990 247 HD21 LEU 33 3HD2 LEU 33 -9.961 5.275 8.993 248 HD22 LEU 33 1HD2 LEU 33 -10.380 6.158 7.525 249 HD23 LEU 33 2HD2 LEU 33 -9.389 4.703 7.425 250 H ASN 34 H ASN 34 -12.133 4.142 3.387 251 HA ASN 34 HA ASN 34 -13.428 1.660 2.955 252 HB2 ASN 34 2HB ASN 34 -13.067 4.064 1.164 253 HB3 ASN 34 1HB ASN 34 -13.996 2.649 0.686 254 HD21 ASN 34 1HD2 ASN 34 -13.884 5.469 2.668 255 HD22 ASN 34 2HD2 ASN 34 -15.526 5.407 3.215 256 H GLN 35 H GLN 35 -10.580 3.159 1.540 257 HA GLN 35 HA GLN 35 -10.223 1.274 -0.540 258 HB2 GLN 35 2HB GLN 35 -8.439 3.286 0.765 259 HB3 GLN 35 1HB GLN 35 -7.808 2.185 -0.448 260 HG2 GLN 35 2HG GLN 35 -9.234 3.033 -2.120 261 HG3 GLN 35 1HG GLN 35 -10.212 3.909 -0.948 262 HE21 GLN 35 1HE2 GLN 35 -8.190 5.124 0.547 263 HE22 GLN 35 2HE2 GLN 35 -7.361 6.254 -0.456 264 H MET 36 H MET 36 -8.839 1.534 2.716 265 HA MET 36 HA MET 36 -7.361 -0.931 2.329 266 HB2 MET 36 2HB MET 36 -7.542 0.930 4.696 267 HB3 MET 36 1HB MET 36 -6.575 -0.538 4.672 268 HG2 MET 36 2HG MET 36 -6.216 1.964 3.065 269 HG3 MET 36 1HG MET 36 -5.087 1.199 4.180 270 HE1 MET 36 3HE MET 36 -5.324 -1.826 3.384 271 HE2 MET 36 1HE MET 36 -3.716 -1.123 3.544 272 HE3 MET 36 2HE MET 36 -4.133 -2.052 2.103 273 H GLY 37 H GLY 37 -10.486 -0.161 3.221 274 HA2 GLY 37 2HA GLY 37 -10.817 -2.682 4.669 275 HA3 GLY 37 1HA GLY 37 -12.094 -1.537 4.254 276 H LYS 38 H LYS 38 -11.091 -1.293 1.547 277 HA LYS 38 HA LYS 38 -12.599 -3.237 0.196 278 HB2 LYS 38 2HB LYS 38 -12.137 -0.993 -0.673 279 HB3 LYS 38 1HB LYS 38 -10.424 -1.373 -0.766 280 HG2 LYS 38 2HG LYS 38 -10.921 -3.077 -2.467 281 HG3 LYS 38 1HG LYS 38 -12.626 -2.619 -2.400 282 HD2 LYS 38 2HD LYS 38 -12.003 -0.317 -3.035 283 HD3 LYS 38 1HD LYS 38 -10.320 -0.825 -3.167 284 HE2 LYS 38 2HE LYS 38 -11.339 -0.764 -5.358 285 HE3 LYS 38 1HE LYS 38 -10.963 -2.426 -4.916 286 HZ1 LYS 38 3HZ LYS 38 -13.638 -1.156 -4.711 287 HZ2 LYS 38 1HZ LYS 38 -13.270 -2.761 -4.323 288 HZ3 LYS 38 2HZ LYS 38 -13.149 -2.231 -5.921 289 H VAL 39 H VAL 39 -9.075 -2.699 -0.033 290 HA VAL 39 HA VAL 39 -8.828 -5.586 -0.537 291 HB VAL 39 HB VAL 39 -8.078 -4.315 -2.446 292 HG11 VAL 39 1HG1 VAL 39 -7.555 -2.194 -1.381 293 HG12 VAL 39 2HG1 VAL 39 -6.187 -2.763 -2.339 294 HG13 VAL 39 3HG1 VAL 39 -6.159 -2.921 -0.581 295 HG21 VAL 39 3HG2 VAL 39 -5.700 -5.405 -0.952 296 HG22 VAL 39 1HG2 VAL 39 -5.863 -5.232 -2.699 297 HG23 VAL 39 2HG2 VAL 39 -6.885 -6.376 -1.828 298 H ASN 40 H ASN 40 -8.478 -6.486 1.389 299 HA ASN 40 HA ASN 40 -6.115 -6.071 2.866 300 HB2 ASN 40 2HB ASN 40 -7.397 -3.927 3.295 301 HB3 ASN 40 1HB ASN 40 -8.553 -4.908 4.191 302 HD21 ASN 40 1HD2 ASN 40 -5.197 -3.965 4.007 303 HD22 ASN 40 2HD2 ASN 40 -4.842 -4.204 5.681 304 H ASP 41 H ASP 41 -9.360 -7.239 2.631 305 HA ASP 41 HA ASP 41 -9.524 -8.696 5.024 306 HB2 ASP 41 2HB ASP 41 -11.465 -8.139 3.581 307 HB3 ASP 41 1HB ASP 41 -10.874 -9.289 2.386 308 H THR 42 H THR 42 -8.493 -9.641 1.779 309 HA THR 42 HA THR 42 -6.896 -11.759 2.962 310 HB THR 42 HB THR 42 -8.889 -12.972 2.456 311 HG1 THR 42 1HG THR 42 -7.204 -14.232 1.905 312 HG21 THR 42 3HG2 THR 42 -8.745 -11.813 -0.323 313 HG22 THR 42 1HG2 THR 42 -9.959 -11.449 0.901 314 HG23 THR 42 2HG2 THR 42 -9.870 -13.065 0.201 315 HA PRO 43 HA PRO 43 -4.782 -9.585 -0.475 316 HB2 PRO 43 2HB PRO 43 -2.912 -8.277 0.901 317 HB3 PRO 43 1HB PRO 43 -4.582 -7.701 0.872 318 HG2 PRO 43 2HG PRO 43 -3.105 -9.126 3.027 319 HG3 PRO 43 1HG PRO 43 -4.370 -7.893 3.155 320 HD2 PRO 43 2HD PRO 43 -4.700 -10.695 3.374 321 HD3 PRO 43 1HD PRO 43 -5.986 -9.479 3.263 322 H GLU 44 H GLU 44 -4.326 -12.250 1.029 323 HA GLU 44 HA GLU 44 -2.980 -14.033 0.782 324 HB2 GLU 44 2HB GLU 44 -2.677 -13.138 -1.541 325 HB3 GLU 44 1HB GLU 44 -1.206 -12.354 -0.982 326 HG2 GLU 44 2HG GLU 44 -0.107 -14.382 -0.647 327 HG3 GLU 44 1HG GLU 44 -1.611 -15.300 -0.649 328 H GLU 45 H GLU 45 -1.275 -11.015 1.446 329 HA GLU 45 HA GLU 45 0.815 -12.382 2.893 330 HB2 GLU 45 2HB GLU 45 1.465 -10.406 1.736 331 HB3 GLU 45 1HB GLU 45 0.182 -9.469 2.476 332 HG2 GLU 45 2HG GLU 45 2.323 -8.886 3.429 333 HG3 GLU 45 1HG GLU 45 1.298 -9.643 4.641 334 H GLU 46 H GLU 46 -0.681 -9.556 4.320 335 HA GLU 46 HA GLU 46 -1.381 -11.253 6.594 336 HB2 GLU 46 2HB GLU 46 -0.045 -8.537 6.540 337 HB3 GLU 46 1HB GLU 46 -1.007 -9.055 7.938 338 HG2 GLU 46 2HG GLU 46 0.405 -11.086 8.082 339 HG3 GLU 46 1HG GLU 46 1.401 -10.426 6.788 340 H GLY 47 H GLY 47 -2.346 -7.983 6.990 341 HA2 GLY 47 2HA GLY 47 -4.590 -7.755 5.397 342 HA3 GLY 47 1HA GLY 47 -5.108 -8.691 6.787 343 H MET 48 H MET 48 -5.758 -7.614 8.542 344 HA MET 48 HA MET 48 -6.068 -4.909 8.749 345 HB2 MET 48 2HB MET 48 -7.216 -6.396 10.244 346 HB3 MET 48 1HB MET 48 -5.697 -6.967 10.915 347 HG2 MET 48 2HG MET 48 -6.799 -5.478 12.444 348 HG3 MET 48 1HG MET 48 -5.276 -4.792 11.885 349 HE1 MET 48 3HE MET 48 -6.528 -2.648 13.163 350 HE2 MET 48 1HE MET 48 -6.694 -1.405 11.923 351 HE3 MET 48 2HE MET 48 -5.265 -2.441 11.952 352 HA PRO 49 HA PRO 49 -1.783 -4.580 11.042 353 HB2 PRO 49 2HB PRO 49 0.028 -6.463 10.210 354 HB3 PRO 49 1HB PRO 49 -0.895 -6.589 11.713 355 HG2 PRO 49 2HG PRO 49 -1.455 -7.805 9.047 356 HG3 PRO 49 1HG PRO 49 -1.535 -8.562 10.645 357 HD2 PRO 49 2HD PRO 49 -3.736 -7.758 9.398 358 HD3 PRO 49 1HD PRO 49 -3.556 -7.529 11.153 359 H LEU 50 H LEU 50 -2.133 -6.002 7.797 360 HA LEU 50 HA LEU 50 -0.061 -4.597 6.564 361 HB2 LEU 50 2HB LEU 50 -2.573 -5.660 5.357 362 HB3 LEU 50 1HB LEU 50 -1.348 -4.793 4.450 363 HG LEU 50 HG LEU 50 -1.265 -7.535 5.557 364 HD11 LEU 50 1HD1 LEU 50 -0.306 -6.177 3.054 365 HD12 LEU 50 2HD1 LEU 50 -1.703 -7.243 3.229 366 HD13 LEU 50 3HD1 LEU 50 -0.071 -7.883 3.414 367 HD21 LEU 50 3HD2 LEU 50 0.621 -6.544 6.708 368 HD22 LEU 50 1HD2 LEU 50 1.170 -5.782 5.214 369 HD23 LEU 50 2HD2 LEU 50 1.209 -7.537 5.374 370 H ARG 51 H ARG 51 -3.495 -3.630 6.988 371 HA ARG 51 HA ARG 51 -3.157 -1.289 5.453 372 HB2 ARG 51 2HB ARG 51 -5.181 -0.400 6.563 373 HB3 ARG 51 1HB ARG 51 -5.380 -1.990 5.868 374 HG2 ARG 51 2HG ARG 51 -4.989 -2.900 8.200 375 HG3 ARG 51 1HG ARG 51 -5.170 -1.237 8.757 376 HD2 ARG 51 2HD ARG 51 -7.224 -2.721 7.126 377 HD3 ARG 51 1HD ARG 51 -7.255 -2.592 8.883 378 HE ARG 51 HE ARG 51 -7.162 -0.016 8.126 379 HH11 ARG 51 1HH1 ARG 51 -9.193 -2.688 7.151 380 HH12 ARG 51 2HH1 ARG 51 -10.559 -1.687 6.788 381 HH21 ARG 51 1HH2 ARG 51 -8.962 1.311 7.656 382 HH22 ARG 51 2HH2 ARG 51 -10.432 0.586 7.071 383 H ALA 52 H ALA 52 -2.735 -1.881 8.922 384 HA ALA 52 HA ALA 52 -1.875 0.753 9.532 385 HB1 ALA 52 1HB ALA 52 -2.393 -0.885 11.271 386 HB2 ALA 52 2HB ALA 52 -0.762 -0.245 11.473 387 HB3 ALA 52 3HB ALA 52 -1.000 -1.852 10.785 388 H TRP 53 H TRP 53 -0.199 -2.094 8.410 389 HA TRP 53 HA TRP 53 2.450 -1.244 8.529 390 HB2 TRP 53 2HB TRP 53 2.229 -3.487 8.417 391 HB3 TRP 53 1HB TRP 53 0.805 -3.383 7.451 392 HD1 TRP 53 HD TRP 53 4.296 -4.234 7.367 393 HE1 TRP 53 1HE TRP 53 5.055 -4.973 5.031 394 HE3 TRP 53 3HE TRP 53 0.168 -2.940 4.773 395 HZ2 TRP 53 2HZ TRP 53 4.022 -4.923 2.422 396 HZ3 TRP 53 3HZ TRP 53 0.115 -3.349 2.352 397 HH2 TRP 53 HH TRP 53 2.031 -4.331 1.210 398 H VAL 54 H VAL 54 0.279 -1.334 5.676 399 HA VAL 54 HA VAL 54 2.203 -0.069 4.011 400 HB VAL 54 HB VAL 54 -0.075 -1.501 3.514 401 HG11 VAL 54 1HG1 VAL 54 -0.603 1.326 2.621 402 HG12 VAL 54 2HG1 VAL 54 -1.561 0.383 3.764 403 HG13 VAL 54 3HG1 VAL 54 -1.483 -0.099 2.068 404 HG21 VAL 54 3HG2 VAL 54 1.707 0.143 1.733 405 HG22 VAL 54 1HG2 VAL 54 0.491 -0.974 1.103 406 HG23 VAL 54 2HG2 VAL 54 1.815 -1.589 2.103 407 H ILE 55 H ILE 55 -0.740 1.156 5.677 408 HA ILE 55 HA ILE 55 -0.598 3.736 4.611 409 HB ILE 55 HB ILE 55 -1.641 2.806 7.282 410 HG12 ILE 55 2HG1 ILE 55 -3.033 3.672 4.737 411 HG13 ILE 55 1HG1 ILE 55 -2.780 2.001 5.235 412 HG21 ILE 55 1HG2 ILE 55 -1.928 5.539 6.028 413 HG22 ILE 55 2HG2 ILE 55 -1.015 5.149 7.488 414 HG23 ILE 55 3HG2 ILE 55 -2.768 4.968 7.473 415 HD11 ILE 55 3HD1 ILE 55 -4.404 4.044 6.734 416 HD12 ILE 55 1HD1 ILE 55 -4.196 2.349 7.172 417 HD13 ILE 55 2HD1 ILE 55 -5.050 2.778 5.690 418 H LYS 56 H LYS 56 1.072 2.355 7.422 419 HA LYS 56 HA LYS 56 2.439 4.761 8.073 420 HB2 LYS 56 2HB LYS 56 3.004 1.873 8.707 421 HB3 LYS 56 1HB LYS 56 4.071 3.167 9.227 422 HG2 LYS 56 2HG LYS 56 1.164 2.873 9.965 423 HG3 LYS 56 1HG LYS 56 2.541 2.498 10.999 424 HD2 LYS 56 2HD LYS 56 1.819 5.217 9.905 425 HD3 LYS 56 1HD LYS 56 1.594 4.671 11.564 426 HE2 LYS 56 2HE LYS 56 4.237 4.989 10.140 427 HE3 LYS 56 1HE LYS 56 3.579 6.075 11.360 428 HZ1 LYS 56 3HZ LYS 56 3.669 4.260 12.962 429 HZ2 LYS 56 1HZ LYS 56 5.197 4.587 12.319 430 HZ3 LYS 56 2HZ LYS 56 4.333 3.238 11.790 431 H CYS 57 H CYS 57 3.385 1.894 6.154 432 HA CYS 57 HA CYS 57 5.989 2.756 5.597 433 HB2 CYS 57 2HB CYS 57 5.201 0.436 5.210 434 HB3 CYS 57 1HB CYS 57 4.255 0.979 3.820 435 HG CYS 57 HG CYS 57 7.336 -0.019 3.891 436 H ALA 58 H ALA 58 2.992 3.247 3.774 437 HA ALA 58 HA ALA 58 4.128 4.710 1.646 438 HB1 ALA 58 1HB ALA 58 1.891 3.676 1.590 439 HB2 ALA 58 2HB ALA 58 1.862 5.379 1.135 440 HB3 ALA 58 3HB ALA 58 1.324 4.886 2.741 441 H HIS 59 H HIS 59 2.739 5.709 4.744 442 HA HIS 59 HA HIS 59 2.767 8.483 4.304 443 HB2 HIS 59 2HB HIS 59 1.612 7.211 6.180 444 HB3 HIS 59 1HB HIS 59 3.178 7.121 6.975 445 HD1 HIS 59 1HD HIS 59 1.538 8.453 8.795 446 HD2 HIS 59 2HD HIS 59 2.924 10.553 5.497 447 HE1 HIS 59 1HE HIS 59 1.236 10.878 9.371 448 HE2 HIS 59 2HE HIS 59 1.997 12.133 7.328 449 H GLU 60 H GLU 60 5.162 6.355 5.835 450 HA GLU 60 HA GLU 60 7.060 8.363 6.419 451 HB2 GLU 60 2HB GLU 60 7.547 5.429 5.867 452 HB3 GLU 60 1HB GLU 60 8.636 6.519 6.710 453 HG2 GLU 60 2HG GLU 60 5.883 5.778 7.668 454 HG3 GLU 60 1HG GLU 60 7.374 5.005 8.202 455 H ALA 61 H ALA 61 6.639 6.196 3.662 456 HA ALA 61 HA ALA 61 9.023 6.855 2.316 457 HB1 ALA 61 1HB ALA 61 6.429 5.850 1.149 458 HB2 ALA 61 2HB ALA 61 7.711 4.844 1.825 459 HB3 ALA 61 3HB ALA 61 8.012 5.798 0.372 460 H LEU 62 H LEU 62 5.737 8.160 2.076 461 HA LEU 62 HA LEU 62 6.300 9.829 -0.143 462 HB2 LEU 62 2HB LEU 62 4.029 9.117 0.423 463 HB3 LEU 62 1HB LEU 62 4.106 10.037 1.913 464 HG LEU 62 HG LEU 62 4.483 11.466 -0.689 465 HD11 LEU 62 1HD1 LEU 62 2.048 11.839 -0.764 466 HD12 LEU 62 2HD1 LEU 62 1.849 10.607 0.482 467 HD13 LEU 62 3HD1 LEU 62 2.508 10.170 -1.096 468 HD21 LEU 62 3HD2 LEU 62 4.830 12.682 1.399 469 HD22 LEU 62 1HD2 LEU 62 3.214 12.229 1.939 470 HD23 LEU 62 2HD2 LEU 62 3.413 13.290 0.542 471 H GLU 63 H GLU 63 6.128 10.488 3.357 472 HA GLU 63 HA GLU 63 6.542 13.264 3.082 473 HB2 GLU 63 2HB GLU 63 6.804 11.343 5.371 474 HB3 GLU 63 1HB GLU 63 7.349 13.005 5.553 475 HG2 GLU 63 2HG GLU 63 4.567 12.178 4.739 476 HG3 GLU 63 1HG GLU 63 5.056 12.659 6.365 477 H LYS 64 H LYS 64 8.728 10.593 3.016 478 HA LYS 64 HA LYS 64 11.102 12.054 3.643 479 HB2 LYS 64 2HB LYS 64 10.950 9.607 3.877 480 HB3 LYS 64 1HB LYS 64 10.755 9.455 2.136 481 HG2 LYS 64 2HG LYS 64 12.997 10.461 1.840 482 HG3 LYS 64 1HG LYS 64 13.187 10.469 3.595 483 HD2 LYS 64 2HD LYS 64 12.718 8.023 1.896 484 HD3 LYS 64 1HD LYS 64 14.275 8.529 2.549 485 HE2 LYS 64 2HE LYS 64 13.384 8.302 4.823 486 HE3 LYS 64 1HE LYS 64 11.838 7.775 4.158 487 HZ1 LYS 64 3HZ LYS 64 14.432 6.377 3.808 488 HZ2 LYS 64 1HZ LYS 64 12.944 5.869 3.182 489 HZ3 LYS 64 2HZ LYS 64 13.193 5.904 4.851 490 H ASN 65 H ASN 65 9.287 11.360 0.755 491 HA ASN 65 HA ASN 65 10.795 13.339 -0.719 492 HB2 ASN 65 2HB ASN 65 10.973 11.712 -2.702 493 HB3 ASN 65 1HB ASN 65 12.129 11.518 -1.392 494 HD21 ASN 65 1HD2 ASN 65 9.265 10.215 -2.892 495 HD22 ASN 65 2HD2 ASN 65 9.395 8.622 -2.238 496 HA PRO 66 HA PRO 66 6.205 13.112 -1.168 497 HB2 PRO 66 2HB PRO 66 5.620 15.640 -0.532 498 HB3 PRO 66 1HB PRO 66 6.102 14.477 0.702 499 HG2 PRO 66 2HG PRO 66 7.753 16.582 -0.652 500 HG3 PRO 66 1HG PRO 66 7.659 16.175 1.073 501 HD2 PRO 66 2HD PRO 66 9.636 15.273 -0.591 502 HD3 PRO 66 1HD PRO 66 9.096 14.400 0.853 503 H LYS 67 H LYS 67 8.158 13.542 -3.334 504 HA LYS 67 HA LYS 67 6.468 15.196 -5.089 505 HB2 LYS 67 2HB LYS 67 9.465 14.791 -5.275 506 HB3 LYS 67 1HB LYS 67 8.485 15.721 -6.403 507 HG2 LYS 67 2HG LYS 67 7.919 17.298 -4.656 508 HG3 LYS 67 1HG LYS 67 8.823 16.348 -3.478 509 HD2 LYS 67 2HD LYS 67 10.879 16.750 -4.770 510 HD3 LYS 67 1HD LYS 67 9.958 17.745 -5.900 511 HE2 LYS 67 2HE LYS 67 10.267 18.273 -2.944 512 HE3 LYS 67 1HE LYS 67 11.153 19.098 -4.228 513 HZ1 LYS 67 3HZ LYS 67 9.023 19.908 -5.092 514 HZ2 LYS 67 1HZ LYS 67 9.290 20.424 -3.505 515 HZ3 LYS 67 2HZ LYS 67 8.214 19.161 -3.811 516 H ILE 68 H ILE 68 6.668 12.270 -4.302 517 HA ILE 68 HA ILE 68 7.176 11.058 -6.910 518 HB ILE 68 HB ILE 68 6.689 8.895 -5.701 519 HG12 ILE 68 2HG1 ILE 68 7.061 10.536 -3.183 520 HG13 ILE 68 1HG1 ILE 68 5.474 10.058 -3.787 521 HG21 ILE 68 1HG2 ILE 68 8.928 9.541 -6.228 522 HG22 ILE 68 2HG2 ILE 68 8.908 8.857 -4.603 523 HG23 ILE 68 3HG2 ILE 68 9.002 10.604 -4.825 524 HD11 ILE 68 3HD1 ILE 68 7.698 8.196 -2.984 525 HD12 ILE 68 1HD1 ILE 68 6.113 7.710 -3.585 526 HD13 ILE 68 2HD1 ILE 68 6.248 8.560 -2.045 527 H ARG 69 H ARG 69 5.492 8.995 -6.986 528 HA ARG 69 HA ARG 69 2.817 10.222 -6.994 529 HB2 ARG 69 2HB ARG 69 3.908 10.352 -9.245 530 HB3 ARG 69 1HB ARG 69 3.969 8.596 -9.264 531 HG2 ARG 69 2HG ARG 69 1.498 8.555 -9.087 532 HG3 ARG 69 1HG ARG 69 1.501 10.316 -9.211 533 HD2 ARG 69 2HD ARG 69 1.055 9.333 -11.379 534 HD3 ARG 69 1HD ARG 69 2.621 10.143 -11.391 535 HE ARG 69 HE ARG 69 2.807 7.347 -10.758 536 HH11 ARG 69 1HH1 ARG 69 2.624 9.664 -13.383 537 HH12 ARG 69 2HH1 ARG 69 3.381 8.603 -14.529 538 HH21 ARG 69 1HH2 ARG 69 3.786 5.966 -12.259 539 HH22 ARG 69 2HH2 ARG 69 4.015 6.489 -13.899 540 H GLU 70 H GLU 70 4.809 7.375 -6.792 541 HA GLU 70 HA GLU 70 2.876 6.087 -5.160 542 HB2 GLU 70 2HB GLU 70 2.497 4.101 -6.492 543 HB3 GLU 70 1HB GLU 70 1.944 5.525 -7.366 544 HG2 GLU 70 2HG GLU 70 4.654 4.329 -7.859 545 HG3 GLU 70 1HG GLU 70 3.210 3.700 -8.647 546 H VAL 71 H VAL 71 3.660 3.863 -4.514 547 HA VAL 71 HA VAL 71 6.540 3.470 -4.800 548 HB VAL 71 HB VAL 71 6.170 4.870 -2.749 549 HG11 VAL 71 1HG1 VAL 71 4.710 2.442 -1.741 550 HG12 VAL 71 2HG1 VAL 71 4.021 4.036 -2.049 551 HG13 VAL 71 3HG1 VAL 71 5.202 3.821 -0.756 552 HG21 VAL 71 3HG2 VAL 71 7.255 2.099 -2.278 553 HG22 VAL 71 1HG2 VAL 71 7.565 3.502 -1.257 554 HG23 VAL 71 2HG2 VAL 71 8.144 3.478 -2.921 555 H TYR 72 H TYR 72 7.134 1.232 -4.245 556 HA TYR 72 HA TYR 72 4.751 -0.475 -4.310 557 HB2 TYR 72 2HB TYR 72 6.279 -2.212 -5.354 558 HB3 TYR 72 1HB TYR 72 5.851 -0.832 -6.352 559 HD1 TYR 72 2HD TYR 72 7.528 0.881 -6.883 560 HD2 TYR 72 1HD TYR 72 8.553 -2.609 -4.675 561 HE1 TYR 72 2HE TYR 72 9.903 1.286 -7.361 562 HE2 TYR 72 1HE TYR 72 10.931 -2.215 -5.150 563 HH TYR 72 HH TYR 72 12.110 0.703 -6.377 564 H LEU 73 H LEU 73 4.434 -1.956 -2.889 565 HA LEU 73 HA LEU 73 6.407 -2.272 -0.733 566 HB2 LEU 73 2HB LEU 73 3.481 -2.033 -0.815 567 HB3 LEU 73 1HB LEU 73 4.060 -3.329 0.211 568 HG LEU 73 HG LEU 73 3.718 -1.398 1.561 569 HD11 LEU 73 1HD1 LEU 73 5.909 -1.095 2.535 570 HD12 LEU 73 2HD1 LEU 73 6.672 -1.720 1.075 571 HD13 LEU 73 3HD1 LEU 73 5.675 -2.780 2.072 572 HD21 LEU 73 3HD2 LEU 73 3.808 0.289 -0.212 573 HD22 LEU 73 1HD2 LEU 73 5.561 0.099 -0.293 574 HD23 LEU 73 2HD2 LEU 73 4.807 0.728 1.175 575 H LYS 74 H LYS 74 7.013 -4.270 -0.077 576 HA LYS 74 HA LYS 74 5.745 -6.581 -1.357 577 HB2 LYS 74 2HB LYS 74 8.182 -5.791 -2.142 578 HB3 LYS 74 1HB LYS 74 8.654 -6.717 -0.726 579 HG2 LYS 74 2HG LYS 74 6.882 -7.868 -2.854 580 HG3 LYS 74 1HG LYS 74 8.640 -7.917 -2.969 581 HD2 LYS 74 2HD LYS 74 8.819 -9.276 -1.043 582 HD3 LYS 74 1HD LYS 74 7.141 -8.977 -0.584 583 HE2 LYS 74 2HE LYS 74 7.504 -11.225 -1.566 584 HE3 LYS 74 1HE LYS 74 6.345 -10.250 -2.465 585 HZ1 LYS 74 3HZ LYS 74 9.197 -10.653 -3.201 586 HZ2 LYS 74 1HZ LYS 74 8.075 -9.735 -4.069 587 HZ3 LYS 74 2HZ LYS 74 7.874 -11.405 -3.940 588 HA PRO 75 HA PRO 75 4.545 -7.778 2.715 589 HB2 PRO 75 2HB PRO 75 5.493 -10.294 1.370 590 HB3 PRO 75 1HB PRO 75 4.133 -10.082 2.483 591 HG2 PRO 75 2HG PRO 75 3.676 -10.064 -0.095 592 HG3 PRO 75 1HG PRO 75 2.895 -8.858 0.937 593 HD2 PRO 75 2HD PRO 75 5.080 -8.538 -1.016 594 HD3 PRO 75 1HD PRO 75 3.902 -7.346 -0.440 595 H ARG 76 H ARG 76 5.424 -8.007 4.595 596 HA ARG 76 HA ARG 76 8.157 -7.987 5.167 597 HB2 ARG 76 2HB ARG 76 6.057 -9.145 6.984 598 HB3 ARG 76 1HB ARG 76 7.520 -8.286 7.439 599 HG2 ARG 76 2HG ARG 76 6.626 -6.209 6.908 600 HG3 ARG 76 1HG ARG 76 5.370 -6.902 5.883 601 HD2 ARG 76 2HD ARG 76 4.305 -6.160 7.874 602 HD3 ARG 76 1HD ARG 76 4.379 -7.919 7.946 603 HE ARG 76 HE ARG 76 6.586 -6.639 9.262 604 HH11 ARG 76 1HH1 ARG 76 3.301 -7.807 9.591 605 HH12 ARG 76 2HH1 ARG 76 3.346 -7.833 11.329 606 HH21 ARG 76 1HH2 ARG 76 6.663 -6.676 11.554 607 HH22 ARG 76 2HH2 ARG 76 5.270 -7.190 12.448 608 H ALA 77 H ALA 77 5.788 -10.575 4.933 609 HA ALA 77 HA ALA 77 7.766 -12.630 5.420 610 HB1 ALA 77 1HB ALA 77 4.901 -12.835 4.490 611 HB2 ALA 77 2HB ALA 77 5.466 -12.987 6.155 612 HB3 ALA 77 3HB ALA 77 5.934 -14.188 4.952 613 H VAL 78 H VAL 78 9.231 -12.028 3.780 614 HA VAL 78 HA VAL 78 8.726 -11.946 1.039 615 HB VAL 78 HB VAL 78 11.100 -12.568 0.718 616 HG11 VAL 78 1HG1 VAL 78 10.601 -10.577 2.930 617 HG12 VAL 78 2HG1 VAL 78 10.509 -10.258 1.198 618 HG13 VAL 78 3HG1 VAL 78 12.056 -10.665 1.938 619 HG21 VAL 78 3HG2 VAL 78 11.093 -12.976 3.709 620 HG22 VAL 78 1HG2 VAL 78 12.523 -12.961 2.679 621 HG23 VAL 78 2HG2 VAL 78 11.313 -14.229 2.487 622 H LYS 79 H LYS 79 8.459 -14.550 3.141 623 HA LYS 79 HA LYS 79 8.980 -16.803 1.582 624 HB2 LYS 79 2HB LYS 79 6.658 -16.528 3.489 625 HB3 LYS 79 1HB LYS 79 7.567 -17.981 3.104 626 HG2 LYS 79 2HG LYS 79 9.402 -17.312 4.383 627 HG3 LYS 79 1HG LYS 79 8.858 -15.634 4.447 628 HD2 LYS 79 2HD LYS 79 6.880 -16.411 5.764 629 HD3 LYS 79 1HD LYS 79 7.616 -18.014 5.819 630 HE2 LYS 79 2HE LYS 79 9.503 -17.175 7.030 631 HE3 LYS 79 1HE LYS 79 8.961 -15.513 6.815 632 HZ1 LYS 79 3HZ LYS 79 7.574 -17.608 8.398 633 HZ2 LYS 79 1HZ LYS 79 7.010 -16.031 8.169 634 HZ3 LYS 79 2HZ LYS 79 8.443 -16.300 9.024 635 H ASN 80 H ASN 80 6.346 -14.518 1.553 636 HA ASN 80 HA ASN 80 4.338 -16.135 0.424 637 HB2 ASN 80 2HB ASN 80 4.431 -13.603 1.430 638 HB3 ASN 80 1HB ASN 80 4.290 -13.274 -0.295 639 HD21 ASN 80 1HD2 ASN 80 2.418 -12.739 1.795 640 HD22 ASN 80 2HD2 ASN 80 0.967 -13.608 1.387 641 H SER 81 H SER 81 6.762 -14.033 -0.982 642 HA SER 81 HA SER 81 7.820 -14.063 -2.972 643 HB2 SER 81 2HB SER 81 6.255 -16.586 -3.534 644 HB3 SER 81 1HB SER 81 7.702 -16.039 -4.379 645 HG SER 81 HG SER 81 7.463 -16.896 -1.681 646 H SER 82 H SER 82 4.431 -15.068 -3.556 647 HA SER 82 HA SER 82 4.535 -14.050 -6.231 648 HB2 SER 82 2HB SER 82 2.004 -14.734 -6.033 649 HB3 SER 82 1HB SER 82 3.268 -15.963 -6.095 650 HG SER 82 HG SER 82 1.641 -15.162 -3.961 651 H VAL 83 H VAL 83 3.176 -12.838 -3.210 652 HA VAL 83 HA VAL 83 1.488 -10.998 -4.693 653 HB VAL 83 HB VAL 83 0.621 -12.236 -2.699 654 HG11 VAL 83 1HG1 VAL 83 1.165 -11.580 -0.492 655 HG12 VAL 83 2HG1 VAL 83 2.190 -10.273 -1.078 656 HG13 VAL 83 3HG1 VAL 83 2.678 -11.949 -1.325 657 HG21 VAL 83 3HG2 VAL 83 0.507 -9.225 -2.602 658 HG22 VAL 83 1HG2 VAL 83 -0.606 -10.310 -1.768 659 HG23 VAL 83 2HG2 VAL 83 -0.547 -10.291 -3.531 660 H GLN 84 H GLN 84 1.816 -8.929 -4.998 661 HA GLN 84 HA GLN 84 3.826 -7.491 -3.394 662 HB2 GLN 84 2HB GLN 84 3.504 -7.504 -6.387 663 HB3 GLN 84 1HB GLN 84 4.161 -6.098 -5.569 664 HG2 GLN 84 2HG GLN 84 6.020 -7.302 -6.275 665 HG3 GLN 84 1HG GLN 84 5.874 -7.673 -4.562 666 HE21 GLN 84 1HE2 GLN 84 3.845 -9.044 -7.063 667 HE22 GLN 84 2HE2 GLN 84 4.425 -10.661 -6.900 668 H PHE 85 H PHE 85 3.471 -5.137 -3.380 669 HA PHE 85 HA PHE 85 0.682 -4.398 -3.978 670 HB2 PHE 85 2HB PHE 85 2.296 -3.603 -1.544 671 HB3 PHE 85 1HB PHE 85 0.720 -2.945 -1.960 672 HD1 PHE 85 1HD PHE 85 -1.292 -4.262 -1.669 673 HD2 PHE 85 2HD PHE 85 2.533 -5.830 -0.666 674 HE1 PHE 85 1HE PHE 85 -2.370 -6.056 -0.372 675 HE2 PHE 85 2HE PHE 85 1.462 -7.624 0.628 676 HZ PHE 85 HZ PHE 85 -0.988 -7.738 0.786 677 H HIS 86 H HIS 86 0.441 -2.551 -5.081 678 HA HIS 86 HA HIS 86 2.748 -0.723 -5.262 679 HB2 HIS 86 2HB HIS 86 0.424 -1.129 -7.163 680 HB3 HIS 86 1HB HIS 86 1.577 0.191 -7.301 681 HD1 HIS 86 1HD HIS 86 3.664 -0.271 -8.597 682 HD2 HIS 86 2HD HIS 86 1.613 -3.734 -7.578 683 HE1 HIS 86 1HE HIS 86 4.838 -2.128 -9.812 684 HE2 HIS 86 2HE HIS 86 3.427 -4.167 -9.370 685 H VAL 87 H VAL 87 2.497 0.916 -3.855 686 HA VAL 87 HA VAL 87 -0.218 1.735 -3.151 687 HB VAL 87 HB VAL 87 2.449 2.619 -2.028 688 HG11 VAL 87 1HG1 VAL 87 0.767 4.365 -1.835 689 HG12 VAL 87 2HG1 VAL 87 1.125 3.671 -0.256 690 HG13 VAL 87 3HG1 VAL 87 -0.355 3.221 -1.100 691 HG21 VAL 87 3HG2 VAL 87 1.936 0.297 -1.500 692 HG22 VAL 87 1HG2 VAL 87 0.349 0.773 -0.895 693 HG23 VAL 87 2HG2 VAL 87 1.808 1.308 -0.061 694 H ILE 88 H ILE 88 -1.098 3.148 -4.436 695 HA ILE 88 HA ILE 88 0.603 4.984 -5.943 696 HB ILE 88 HB ILE 88 -2.254 4.113 -6.371 697 HG12 ILE 88 2HG1 ILE 88 0.264 3.561 -7.960 698 HG13 ILE 88 1HG1 ILE 88 -0.528 2.414 -6.882 699 HG21 ILE 88 1HG2 ILE 88 -2.135 5.345 -8.487 700 HG22 ILE 88 2HG2 ILE 88 -0.551 5.968 -8.021 701 HG23 ILE 88 3HG2 ILE 88 -1.981 6.405 -7.086 702 HD11 ILE 88 3HD1 ILE 88 -1.055 1.956 -9.205 703 HD12 ILE 88 1HD1 ILE 88 -1.711 3.581 -9.390 704 HD13 ILE 88 2HD1 ILE 88 -2.500 2.428 -8.312 705 H PHE 89 H PHE 89 0.409 7.134 -5.774 706 HA PHE 89 HA PHE 89 -1.290 8.070 -3.592 707 HB2 PHE 89 2HB PHE 89 1.191 9.228 -4.848 708 HB3 PHE 89 1HB PHE 89 0.214 10.066 -3.649 709 HD1 PHE 89 1HD PHE 89 -0.420 8.528 -1.581 710 HD2 PHE 89 2HD PHE 89 3.017 8.086 -4.046 711 HE1 PHE 89 1HE PHE 89 0.699 7.291 0.217 712 HE2 PHE 89 2HE PHE 89 4.148 6.847 -2.247 713 HZ PHE 89 HZ PHE 89 2.968 6.451 -0.130 714 H ASP 90 H ASP 90 -3.162 8.858 -4.268 715 HA ASP 90 HA ASP 90 -3.552 9.921 -6.914 716 HB2 ASP 90 2HB ASP 90 -5.320 8.722 -5.549 717 HB3 ASP 90 1HB ASP 90 -5.413 10.157 -4.545 718 H GLU 91 H GLU 91 -2.838 11.903 -7.425 719 HA GLU 91 HA GLU 91 -2.549 13.842 -5.292 720 HB2 GLU 91 2HB GLU 91 -1.522 15.256 -7.129 721 HB3 GLU 91 1HB GLU 91 -0.663 13.782 -6.707 722 HG2 GLU 91 2HG GLU 91 -1.509 12.669 -8.660 723 HG3 GLU 91 1HG GLU 91 -2.526 14.055 -9.053 724 H GLU 92 H GLU 92 -4.323 14.794 -4.741 725 HA GLU 92 HA GLU 92 -6.124 15.885 -6.754 726 HB2 GLU 92 2HB GLU 92 -6.233 15.875 -3.734 727 HB3 GLU 92 1HB GLU 92 -7.433 16.657 -4.753 728 HG2 GLU 92 2HG GLU 92 -7.939 14.474 -5.776 729 HG3 GLU 92 1HG GLU 92 -6.791 13.718 -4.670 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 3.558 -22.928 -25.221 2 H2 GLY 1 2HT GLY 1 3.172 -21.981 -23.875 3 H3 GLY 1 3HT GLY 1 3.314 -23.656 -23.715 4 HA2 GLY 1 1HA GLY 1 5.670 -23.522 -24.275 5 HA3 GLY 1 2HA GLY 1 5.504 -21.776 -24.370 6 H SER 2 H SER 2 6.982 -21.404 -22.712 7 HA SER 2 HA SER 2 6.652 -22.678 -20.154 8 HB2 SER 2 2HB SER 2 8.470 -20.391 -20.940 9 HB3 SER 2 1HB SER 2 8.598 -21.379 -19.486 10 HG SER 2 HG SER 2 8.625 -23.153 -21.281 11 H ALA 3 H ALA 3 6.741 -19.212 -21.059 12 HA ALA 3 HA ALA 3 4.712 -18.750 -18.985 13 HB1 ALA 3 1HB ALA 3 6.941 -18.268 -18.068 14 HB2 ALA 3 2HB ALA 3 5.924 -16.831 -18.155 15 HB3 ALA 3 3HB ALA 3 7.195 -17.085 -19.350 16 H MET 4 H MET 4 6.589 -16.649 -21.157 17 HA MET 4 HA MET 4 5.977 -14.964 -22.543 18 HB2 MET 4 2HB MET 4 3.640 -16.815 -23.009 19 HB3 MET 4 1HB MET 4 3.884 -15.330 -23.916 20 HG2 MET 4 2HG MET 4 5.797 -17.649 -23.808 21 HG3 MET 4 1HG MET 4 4.679 -17.294 -25.126 22 HE1 MET 4 3HE MET 4 7.763 -17.750 -25.624 23 HE2 MET 4 1HE MET 4 8.132 -16.428 -26.733 24 HE3 MET 4 2HE MET 4 6.629 -17.333 -26.908 25 H GLY 5 H GLY 5 5.757 -13.873 -20.362 26 HA2 GLY 5 2HA GLY 5 4.715 -12.127 -19.273 27 HA3 GLY 5 1HA GLY 5 3.403 -12.245 -20.436 28 H HIS 6 H HIS 6 4.584 -14.792 -18.308 29 HA HIS 6 HA HIS 6 2.160 -14.609 -16.690 30 HB2 HIS 6 2HB HIS 6 2.952 -17.029 -18.315 31 HB3 HIS 6 1HB HIS 6 1.832 -17.112 -16.960 32 HD1 HIS 6 1HD HIS 6 1.974 -16.466 -20.537 33 HD2 HIS 6 2HD HIS 6 -0.564 -15.478 -17.398 34 HE1 HIS 6 1HE HIS 6 -0.181 -15.735 -21.612 35 HE2 HIS 6 2HE HIS 6 -1.658 -15.034 -19.696 36 H MET 7 H MET 7 2.844 -14.546 -14.687 37 HA MET 7 HA MET 7 4.665 -16.551 -13.667 38 HB2 MET 7 2HB MET 7 6.269 -14.960 -12.741 39 HB3 MET 7 1HB MET 7 6.213 -14.814 -14.490 40 HG2 MET 7 2HG MET 7 4.742 -12.848 -14.240 41 HG3 MET 7 1HG MET 7 4.919 -12.973 -12.493 42 HE1 MET 7 3HE MET 7 8.777 -12.312 -12.051 43 HE2 MET 7 1HE MET 7 8.015 -13.881 -12.293 44 HE3 MET 7 2HE MET 7 7.265 -12.695 -11.228 45 HA PRO 8 HA PRO 8 2.086 -15.985 -10.142 46 HB2 PRO 8 2HB PRO 8 3.649 -16.799 -8.106 47 HB3 PRO 8 1HB PRO 8 3.060 -17.917 -9.343 48 HG2 PRO 8 2HG PRO 8 5.735 -16.592 -9.106 49 HG3 PRO 8 1HG PRO 8 5.354 -18.276 -9.514 50 HD2 PRO 8 2HD PRO 8 5.973 -16.396 -11.381 51 HD3 PRO 8 1HD PRO 8 4.898 -17.769 -11.710 52 H ALA 9 H ALA 9 3.265 -13.531 -10.936 53 HA ALA 9 HA ALA 9 3.888 -12.264 -8.352 54 HB1 ALA 9 1HB ALA 9 4.861 -10.426 -9.644 55 HB2 ALA 9 2HB ALA 9 4.452 -11.262 -11.143 56 HB3 ALA 9 3HB ALA 9 5.633 -11.964 -10.037 57 H VAL 10 H VAL 10 2.247 -11.230 -7.456 58 HA VAL 10 HA VAL 10 0.066 -10.307 -9.213 59 HB VAL 10 HB VAL 10 -0.135 -11.220 -6.337 60 HG11 VAL 10 1HG1 VAL 10 -2.287 -10.435 -8.296 61 HG12 VAL 10 2HG1 VAL 10 -1.773 -9.504 -6.890 62 HG13 VAL 10 3HG1 VAL 10 -2.553 -11.070 -6.674 63 HG21 VAL 10 3HG2 VAL 10 -1.013 -12.584 -8.880 64 HG22 VAL 10 1HG2 VAL 10 -1.351 -13.150 -7.244 65 HG23 VAL 10 2HG2 VAL 10 0.310 -13.088 -7.831 66 H ASP 11 H ASP 11 -0.091 -8.176 -9.336 67 HA ASP 11 HA ASP 11 0.986 -6.505 -7.192 68 HB2 ASP 11 2HB ASP 11 -0.202 -5.629 -9.837 69 HB3 ASP 11 1HB ASP 11 0.730 -4.640 -8.723 70 H VAL 12 H VAL 12 -0.356 -5.940 -5.602 71 HA VAL 12 HA VAL 12 -3.195 -5.496 -6.253 72 HB VAL 12 HB VAL 12 -1.947 -5.739 -3.507 73 HG11 VAL 12 1HG1 VAL 12 -4.806 -5.659 -4.452 74 HG12 VAL 12 2HG1 VAL 12 -3.981 -4.485 -3.421 75 HG13 VAL 12 3HG1 VAL 12 -4.318 -6.110 -2.820 76 HG21 VAL 12 3HG2 VAL 12 -2.928 -7.985 -3.421 77 HG22 VAL 12 1HG2 VAL 12 -1.725 -7.851 -4.704 78 HG23 VAL 12 2HG2 VAL 12 -3.444 -7.821 -5.099 79 H GLU 13 H GLU 13 -3.885 -3.412 -6.361 80 HA GLU 13 HA GLU 13 -1.800 -1.431 -5.828 81 HB2 GLU 13 2HB GLU 13 -4.229 -1.086 -7.579 82 HB3 GLU 13 1HB GLU 13 -2.792 -0.074 -7.524 83 HG2 GLU 13 2HG GLU 13 -1.485 -2.066 -8.313 84 HG3 GLU 13 1HG GLU 13 -3.028 -2.870 -8.579 85 H ILE 14 H ILE 14 -2.014 -0.218 -4.138 86 HA ILE 14 HA ILE 14 -4.697 0.305 -3.079 87 HB ILE 14 HB ILE 14 -2.067 0.980 -1.743 88 HG12 ILE 14 2HG1 ILE 14 -3.807 -1.478 -1.367 89 HG13 ILE 14 1HG1 ILE 14 -2.194 -1.460 -2.068 90 HG21 ILE 14 1HG2 ILE 14 -4.875 0.731 -0.679 91 HG22 ILE 14 2HG2 ILE 14 -4.003 2.234 -0.969 92 HG23 ILE 14 3HG2 ILE 14 -3.444 1.117 0.275 93 HD11 ILE 14 3HD1 ILE 14 -2.916 -0.811 0.790 94 HD12 ILE 14 1HD1 ILE 14 -1.293 -0.700 0.101 95 HD13 ILE 14 2HD1 ILE 14 -2.103 -2.264 0.204 96 H HIS 15 H HIS 15 -5.541 2.350 -3.165 97 HA HIS 15 HA HIS 15 -3.805 4.424 -4.328 98 HB2 HIS 15 2HB HIS 15 -6.773 3.971 -4.620 99 HB3 HIS 15 1HB HIS 15 -5.978 5.459 -5.115 100 HD1 HIS 15 1HD HIS 15 -6.727 2.048 -6.233 101 HD2 HIS 15 2HD HIS 15 -4.122 5.105 -7.307 102 HE1 HIS 15 1HE HIS 15 -5.894 1.451 -8.526 103 HE2 HIS 15 2HE HIS 15 -4.413 3.371 -9.207 104 H PHE 16 H PHE 16 -3.184 5.835 -2.876 105 HA PHE 16 HA PHE 16 -5.008 6.514 -0.665 106 HB2 PHE 16 2HB PHE 16 -2.023 6.764 -0.954 107 HB3 PHE 16 1HB PHE 16 -2.913 7.459 0.388 108 HD1 PHE 16 1HD PHE 16 -4.794 5.355 1.085 109 HD2 PHE 16 2HD PHE 16 -0.721 5.082 -0.108 110 HE1 PHE 16 1HE PHE 16 -4.569 3.256 2.345 111 HE2 PHE 16 2HE PHE 16 -0.489 2.980 1.146 112 HZ PHE 16 HZ PHE 16 -2.415 2.065 2.378 113 HA PRO 17 HA PRO 17 -5.281 10.599 -2.363 114 HB2 PRO 17 2HB PRO 17 -6.103 12.009 -0.243 115 HB3 PRO 17 1HB PRO 17 -7.129 10.765 -0.967 116 HG2 PRO 17 2HG PRO 17 -5.421 10.621 1.482 117 HG3 PRO 17 1HG PRO 17 -7.060 9.999 1.221 118 HD2 PRO 17 2HD PRO 17 -4.773 8.474 1.071 119 HD3 PRO 17 1HD PRO 17 -6.295 8.071 0.257 120 H LEU 18 H LEU 18 -3.533 11.730 -2.927 121 HA LEU 18 HA LEU 18 -1.058 11.587 -1.820 122 HB2 LEU 18 2HB LEU 18 -1.648 12.447 -4.077 123 HB3 LEU 18 1HB LEU 18 -2.134 13.958 -3.347 124 HG LEU 18 HG LEU 18 0.144 13.882 -4.487 125 HD11 LEU 18 1HD1 LEU 18 -0.472 15.731 -3.068 126 HD12 LEU 18 2HD1 LEU 18 1.216 15.300 -2.796 127 HD13 LEU 18 3HD1 LEU 18 -0.015 14.816 -1.630 128 HD21 LEU 18 3HD2 LEU 18 0.848 12.359 -1.987 129 HD22 LEU 18 1HD2 LEU 18 2.009 13.068 -3.108 130 HD23 LEU 18 2HD2 LEU 18 0.945 11.772 -3.649 131 H LYS 19 H LYS 19 -3.414 14.197 -1.161 132 HA LYS 19 HA LYS 19 -1.482 15.661 0.384 133 HB2 LYS 19 2HB LYS 19 -4.437 16.018 -0.056 134 HB3 LYS 19 1HB LYS 19 -3.531 17.042 1.044 135 HG2 LYS 19 2HG LYS 19 -3.687 18.238 -0.965 136 HG3 LYS 19 1HG LYS 19 -2.041 17.609 -0.921 137 HD2 LYS 19 2HD LYS 19 -2.532 15.949 -2.528 138 HD3 LYS 19 1HD LYS 19 -4.269 16.182 -2.349 139 HE2 LYS 19 2HE LYS 19 -2.369 18.249 -3.428 140 HE3 LYS 19 1HE LYS 19 -3.298 17.128 -4.421 141 HZ1 LYS 19 3HZ LYS 19 -5.337 18.063 -3.536 142 HZ2 LYS 19 1HZ LYS 19 -4.387 19.292 -4.217 143 HZ3 LYS 19 2HZ LYS 19 -4.456 19.109 -2.538 144 H ARG 20 H ARG 20 -3.942 13.286 1.143 145 HA ARG 20 HA ARG 20 -3.844 14.100 3.950 146 HB2 ARG 20 2HB ARG 20 -6.009 13.559 2.490 147 HB3 ARG 20 1HB ARG 20 -5.682 11.938 3.089 148 HG2 ARG 20 2HG ARG 20 -6.040 12.528 5.295 149 HG3 ARG 20 1HG ARG 20 -5.743 14.239 4.993 150 HD2 ARG 20 2HD ARG 20 -8.156 12.654 4.111 151 HD3 ARG 20 1HD ARG 20 -8.103 13.847 5.409 152 HE ARG 20 HE ARG 20 -7.406 14.685 2.690 153 HH11 ARG 20 1HH1 ARG 20 -9.655 14.784 5.376 154 HH12 ARG 20 2HH1 ARG 20 -10.550 16.124 4.733 155 HH21 ARG 20 1HH2 ARG 20 -8.581 16.445 1.853 156 HH22 ARG 20 2HH2 ARG 20 -9.942 17.066 2.736 157 H ILE 21 H ILE 21 -2.769 11.513 1.876 158 HA ILE 21 HA ILE 21 -2.165 9.714 4.028 159 HB ILE 21 HB ILE 21 -2.276 8.820 1.779 160 HG12 ILE 21 2HG1 ILE 21 -0.122 7.581 1.708 161 HG13 ILE 21 1HG1 ILE 21 0.534 8.696 2.900 162 HG21 ILE 21 1HG2 ILE 21 -0.376 9.337 0.174 163 HG22 ILE 21 2HG2 ILE 21 -0.043 10.736 1.197 164 HG23 ILE 21 3HG2 ILE 21 -1.602 10.586 0.391 165 HD11 ILE 21 3HD1 ILE 21 -1.761 6.793 3.304 166 HD12 ILE 21 1HD1 ILE 21 -1.156 7.936 4.505 167 HD13 ILE 21 2HD1 ILE 21 -0.125 6.625 3.941 168 H ALA 22 H ALA 22 -0.632 12.488 2.597 169 HA ALA 22 HA ALA 22 1.875 12.174 3.964 170 HB1 ALA 22 1HB ALA 22 2.344 14.437 3.191 171 HB2 ALA 22 2HB ALA 22 0.662 14.631 2.695 172 HB3 ALA 22 3HB ALA 22 1.695 13.460 1.875 173 H ALA 23 H ALA 23 -1.191 12.905 4.951 174 HA ALA 23 HA ALA 23 -0.488 14.955 6.883 175 HB1 ALA 23 1HB ALA 23 -2.575 15.152 5.620 176 HB2 ALA 23 2HB ALA 23 -2.874 15.035 7.352 177 HB3 ALA 23 3HB ALA 23 -3.139 13.633 6.316 178 H GLU 24 H GLU 24 -0.984 14.738 9.101 179 HA GLU 24 HA GLU 24 -0.161 12.176 10.151 180 HB2 GLU 24 2HB GLU 24 -0.166 13.463 12.334 181 HB3 GLU 24 1HB GLU 24 0.932 14.054 11.094 182 HG2 GLU 24 2HG GLU 24 -0.838 15.725 10.474 183 HG3 GLU 24 1HG GLU 24 -1.711 15.219 11.917 184 H GLY 25 H GLY 25 -3.066 13.846 9.616 185 HA2 GLY 25 2HA GLY 25 -4.532 12.110 11.482 186 HA3 GLY 25 1HA GLY 25 -5.192 13.516 10.655 187 H TYR 26 H TYR 26 -3.333 10.791 9.392 188 HA TYR 26 HA TYR 26 -4.818 10.574 7.036 189 HB2 TYR 26 2HB TYR 26 -3.665 8.383 6.743 190 HB3 TYR 26 1HB TYR 26 -2.569 9.700 7.151 191 HD1 TYR 26 2HD TYR 26 -4.224 6.665 8.449 192 HD2 TYR 26 1HD TYR 26 -1.290 9.661 9.171 193 HE1 TYR 26 2HE TYR 26 -3.343 5.339 10.321 194 HE2 TYR 26 1HE TYR 26 -0.398 8.340 11.044 195 HH TYR 26 HH TYR 26 -1.371 5.081 11.630 196 H ALA 27 H ALA 27 -5.369 9.224 10.182 197 HA ALA 27 HA ALA 27 -7.024 7.055 9.413 198 HB1 ALA 27 1HB ALA 27 -5.910 7.163 11.586 199 HB2 ALA 27 2HB ALA 27 -7.652 6.951 11.765 200 HB3 ALA 27 3HB ALA 27 -6.922 8.534 12.038 201 H GLU 28 H GLU 28 -7.558 10.401 9.435 202 HA GLU 28 HA GLU 28 -10.401 10.303 9.944 203 HB2 GLU 28 2HB GLU 28 -8.981 12.275 10.517 204 HB3 GLU 28 1HB GLU 28 -8.722 12.545 8.802 205 HG2 GLU 28 2HG GLU 28 -11.325 12.613 8.709 206 HG3 GLU 28 1HG GLU 28 -11.177 12.945 10.435 207 H ASP 29 H ASP 29 -8.366 9.754 7.272 208 HA ASP 29 HA ASP 29 -10.197 10.828 5.301 209 HB2 ASP 29 2HB ASP 29 -7.743 11.016 5.016 210 HB3 ASP 29 1HB ASP 29 -7.652 9.264 4.878 211 H GLU 30 H GLU 30 -11.947 9.727 4.801 212 HA GLU 30 HA GLU 30 -12.353 7.000 5.382 213 HB2 GLU 30 2HB GLU 30 -14.097 8.849 5.101 214 HB3 GLU 30 1HB GLU 30 -13.894 8.611 3.366 215 HG2 GLU 30 2HG GLU 30 -15.805 7.368 4.064 216 HG3 GLU 30 1HG GLU 30 -14.514 6.228 3.682 217 H LEU 31 H LEU 31 -11.181 8.707 2.610 218 HA LEU 31 HA LEU 31 -11.596 6.760 0.641 219 HB2 LEU 31 2HB LEU 31 -11.132 9.220 0.369 220 HB3 LEU 31 1HB LEU 31 -9.479 8.912 0.838 221 HG LEU 31 HG LEU 31 -10.037 9.208 -1.649 222 HD11 LEU 31 1HD1 LEU 31 -8.346 7.435 -2.218 223 HD12 LEU 31 2HD1 LEU 31 -8.386 6.995 -0.507 224 HD13 LEU 31 3HD1 LEU 31 -7.878 8.610 -0.992 225 HD21 LEU 31 3HD2 LEU 31 -11.927 7.694 -1.777 226 HD22 LEU 31 1HD2 LEU 31 -10.914 6.349 -1.254 227 HD23 LEU 31 2HD2 LEU 31 -10.620 7.120 -2.812 228 H LEU 32 H LEU 32 -8.972 7.501 2.881 229 HA LEU 32 HA LEU 32 -7.116 5.541 2.150 230 HB2 LEU 32 2HB LEU 32 -7.160 7.565 3.889 231 HB3 LEU 32 1HB LEU 32 -7.574 6.281 5.007 232 HG LEU 32 HG LEU 32 -5.450 5.166 3.905 233 HD11 LEU 32 1HD1 LEU 32 -4.920 8.114 3.669 234 HD12 LEU 32 2HD1 LEU 32 -5.045 6.965 2.336 235 HD13 LEU 32 3HD1 LEU 32 -3.719 6.836 3.491 236 HD21 LEU 32 3HD2 LEU 32 -5.391 7.263 6.063 237 HD22 LEU 32 1HD2 LEU 32 -4.133 6.060 5.780 238 HD23 LEU 32 2HD2 LEU 32 -5.747 5.548 6.275 239 H LEU 33 H LEU 33 -9.818 5.585 4.377 240 HA LEU 33 HA LEU 33 -9.536 3.017 5.483 241 HB2 LEU 33 2HB LEU 33 -10.924 5.042 6.235 242 HB3 LEU 33 1HB LEU 33 -12.140 4.473 5.117 243 HG LEU 33 HG LEU 33 -11.093 2.695 7.295 244 HD11 LEU 33 1HD1 LEU 33 -11.870 4.744 8.363 245 HD12 LEU 33 2HD1 LEU 33 -12.970 3.403 8.682 246 HD13 LEU 33 3HD1 LEU 33 -13.394 4.627 7.484 247 HD21 LEU 33 3HD2 LEU 33 -12.384 1.662 5.484 248 HD22 LEU 33 1HD2 LEU 33 -13.713 2.774 5.812 249 HD23 LEU 33 2HD2 LEU 33 -13.238 1.586 7.026 250 H ASN 34 H ASN 34 -11.459 4.219 2.754 251 HA ASN 34 HA ASN 34 -12.801 1.846 2.158 252 HB2 ASN 34 2HB ASN 34 -12.063 4.248 0.527 253 HB3 ASN 34 1HB ASN 34 -12.759 2.841 -0.270 254 HD21 ASN 34 1HD2 ASN 34 -13.318 5.454 1.942 255 HD22 ASN 34 2HD2 ASN 34 -15.036 5.299 2.006 256 H GLN 35 H GLN 35 -9.640 3.012 1.017 257 HA GLN 35 HA GLN 35 -9.224 0.798 -0.724 258 HB2 GLN 35 2HB GLN 35 -7.544 2.974 0.386 259 HB3 GLN 35 1HB GLN 35 -6.712 1.551 -0.223 260 HG2 GLN 35 2HG GLN 35 -6.885 3.269 -1.910 261 HG3 GLN 35 1HG GLN 35 -7.775 1.828 -2.385 262 HE21 GLN 35 1HE2 GLN 35 -7.961 5.162 -1.438 263 HE22 GLN 35 2HE2 GLN 35 -9.635 5.375 -1.836 264 H MET 36 H MET 36 -8.226 1.458 2.611 265 HA MET 36 HA MET 36 -6.968 -1.158 2.742 266 HB2 MET 36 2HB MET 36 -7.138 1.021 4.824 267 HB3 MET 36 1HB MET 36 -6.240 -0.482 4.994 268 HG2 MET 36 2HG MET 36 -5.685 1.849 3.212 269 HG3 MET 36 1HG MET 36 -4.626 1.067 4.383 270 HE1 MET 36 3HE MET 36 -3.926 -2.364 2.485 271 HE2 MET 36 1HE MET 36 -5.052 -1.956 3.778 272 HE3 MET 36 2HE MET 36 -3.381 -1.392 3.847 273 H GLY 37 H GLY 37 -10.003 -0.273 2.835 274 HA2 GLY 37 2HA GLY 37 -10.735 -2.268 4.851 275 HA3 GLY 37 1HA GLY 37 -11.853 -1.243 3.949 276 H LYS 38 H LYS 38 -10.821 -1.605 1.402 277 HA LYS 38 HA LYS 38 -11.961 -4.028 0.556 278 HB2 LYS 38 2HB LYS 38 -11.836 -2.216 -0.991 279 HB3 LYS 38 1HB LYS 38 -10.095 -2.086 -0.792 280 HG2 LYS 38 2HG LYS 38 -10.749 -3.098 -2.940 281 HG3 LYS 38 1HG LYS 38 -9.750 -4.164 -1.952 282 HD2 LYS 38 2HD LYS 38 -11.847 -5.281 -1.175 283 HD3 LYS 38 1HD LYS 38 -12.735 -4.306 -2.346 284 HE2 LYS 38 2HE LYS 38 -11.500 -5.290 -4.168 285 HE3 LYS 38 1HE LYS 38 -10.470 -6.169 -3.040 286 HZ1 LYS 38 3HZ LYS 38 -13.393 -6.569 -3.385 287 HZ2 LYS 38 1HZ LYS 38 -12.407 -7.408 -2.297 288 HZ3 LYS 38 2HZ LYS 38 -12.180 -7.596 -3.961 289 H VAL 39 H VAL 39 -8.488 -3.123 0.376 290 HA VAL 39 HA VAL 39 -7.893 -5.974 0.211 291 HB VAL 39 HB VAL 39 -6.819 -4.623 -1.467 292 HG11 VAL 39 1HG1 VAL 39 -5.524 -3.090 0.780 293 HG12 VAL 39 2HG1 VAL 39 -6.756 -2.482 -0.329 294 HG13 VAL 39 3HG1 VAL 39 -5.159 -2.917 -0.938 295 HG21 VAL 39 3HG2 VAL 39 -5.572 -6.542 -0.751 296 HG22 VAL 39 1HG2 VAL 39 -4.871 -5.638 0.592 297 HG23 VAL 39 2HG2 VAL 39 -4.448 -5.218 -1.066 298 H ASN 40 H ASN 40 -8.660 -6.117 2.481 299 HA ASN 40 HA ASN 40 -6.388 -6.061 4.265 300 HB2 ASN 40 2HB ASN 40 -8.077 -3.853 4.190 301 HB3 ASN 40 1HB ASN 40 -8.573 -4.751 5.624 302 HD21 ASN 40 1HD2 ASN 40 -5.404 -4.414 4.116 303 HD22 ASN 40 2HD2 ASN 40 -4.636 -3.710 5.497 304 H ASP 41 H ASP 41 -8.888 -7.696 3.140 305 HA ASP 41 HA ASP 41 -9.413 -8.977 5.739 306 HB2 ASP 41 2HB ASP 41 -11.571 -9.709 4.912 307 HB3 ASP 41 1HB ASP 41 -11.442 -7.968 4.699 308 H THR 42 H THR 42 -8.728 -9.452 2.327 309 HA THR 42 HA THR 42 -7.546 -12.044 2.971 310 HB THR 42 HB THR 42 -8.515 -12.806 0.661 311 HG1 THR 42 1HG THR 42 -10.604 -11.044 1.469 312 HG21 THR 42 3HG2 THR 42 -10.509 -13.730 1.785 313 HG22 THR 42 1HG2 THR 42 -10.218 -12.650 3.149 314 HG23 THR 42 2HG2 THR 42 -9.050 -13.911 2.758 315 HA PRO 43 HA PRO 43 -5.111 -9.441 -0.038 316 HB2 PRO 43 2HB PRO 43 -3.395 -8.168 1.541 317 HB3 PRO 43 1HB PRO 43 -5.078 -7.641 1.434 318 HG2 PRO 43 2HG PRO 43 -3.692 -9.118 3.607 319 HG3 PRO 43 1HG PRO 43 -5.040 -7.978 3.709 320 HD2 PRO 43 2HD PRO 43 -5.172 -10.825 3.694 321 HD3 PRO 43 1HD PRO 43 -6.529 -9.683 3.667 322 H GLU 44 H GLU 44 -4.687 -12.242 1.034 323 HA GLU 44 HA GLU 44 -3.170 -13.902 0.672 324 HB2 GLU 44 2HB GLU 44 -2.409 -12.562 -1.287 325 HB3 GLU 44 1HB GLU 44 -1.256 -11.745 -0.242 326 HG2 GLU 44 2HG GLU 44 -0.030 -13.387 -1.371 327 HG3 GLU 44 1HG GLU 44 -0.290 -14.032 0.250 328 H GLU 45 H GLU 45 -1.684 -11.009 2.054 329 HA GLU 45 HA GLU 45 0.062 -12.487 3.768 330 HB2 GLU 45 2HB GLU 45 -0.433 -9.706 3.065 331 HB3 GLU 45 1HB GLU 45 0.001 -9.921 4.755 332 HG2 GLU 45 2HG GLU 45 1.608 -11.111 2.526 333 HG3 GLU 45 1HG GLU 45 1.862 -9.465 3.102 334 H GLU 46 H GLU 46 -1.850 -9.869 5.102 335 HA GLU 46 HA GLU 46 -3.024 -11.761 7.026 336 HB2 GLU 46 2HB GLU 46 -1.630 -9.157 7.659 337 HB3 GLU 46 1HB GLU 46 -2.590 -10.065 8.816 338 HG2 GLU 46 2HG GLU 46 -0.350 -11.431 7.413 339 HG3 GLU 46 1HG GLU 46 0.010 -10.309 8.724 340 H GLY 47 H GLY 47 -3.222 -8.277 7.304 341 HA2 GLY 47 2HA GLY 47 -5.425 -7.651 5.798 342 HA3 GLY 47 1HA GLY 47 -6.081 -8.372 7.258 343 H MET 48 H MET 48 -6.203 -7.171 9.088 344 HA MET 48 HA MET 48 -6.200 -4.413 8.908 345 HB2 MET 48 2HB MET 48 -7.351 -5.802 10.658 346 HB3 MET 48 1HB MET 48 -5.801 -5.917 11.486 347 HG2 MET 48 2HG MET 48 -5.930 -3.262 11.188 348 HG3 MET 48 1HG MET 48 -7.651 -3.631 11.235 349 HE1 MET 48 3HE MET 48 -4.620 -4.349 14.623 350 HE2 MET 48 1HE MET 48 -4.300 -3.458 13.134 351 HE3 MET 48 2HE MET 48 -4.504 -5.211 13.090 352 HA PRO 49 HA PRO 49 -1.801 -4.372 11.074 353 HB2 PRO 49 2HB PRO 49 -0.252 -6.514 10.294 354 HB3 PRO 49 1HB PRO 49 -1.068 -6.393 11.854 355 HG2 PRO 49 2HG PRO 49 -1.907 -7.847 9.385 356 HG3 PRO 49 1HG PRO 49 -2.037 -8.347 11.077 357 HD2 PRO 49 2HD PRO 49 -4.146 -7.422 9.722 358 HD3 PRO 49 1HD PRO 49 -3.921 -7.071 11.445 359 H LEU 50 H LEU 50 -2.488 -5.884 7.985 360 HA LEU 50 HA LEU 50 -0.321 -4.929 6.488 361 HB2 LEU 50 2HB LEU 50 -3.161 -5.482 5.699 362 HB3 LEU 50 1HB LEU 50 -1.930 -5.005 4.553 363 HG LEU 50 HG LEU 50 -2.570 -7.606 5.521 364 HD11 LEU 50 1HD1 LEU 50 -2.171 -6.822 3.228 365 HD12 LEU 50 2HD1 LEU 50 -1.175 -8.212 3.661 366 HD13 LEU 50 3HD1 LEU 50 -0.464 -6.598 3.628 367 HD21 LEU 50 3HD2 LEU 50 0.322 -6.836 5.931 368 HD22 LEU 50 1HD2 LEU 50 -0.368 -8.450 6.068 369 HD23 LEU 50 2HD2 LEU 50 -0.815 -7.198 7.225 370 H ARG 51 H ARG 51 -3.492 -3.558 7.137 371 HA ARG 51 HA ARG 51 -3.156 -1.181 5.688 372 HB2 ARG 51 2HB ARG 51 -5.310 -1.672 6.342 373 HB3 ARG 51 1HB ARG 51 -4.864 -1.980 8.015 374 HG2 ARG 51 2HG ARG 51 -4.325 0.529 8.100 375 HG3 ARG 51 1HG ARG 51 -5.254 0.633 6.605 376 HD2 ARG 51 2HD ARG 51 -6.214 -0.371 9.281 377 HD3 ARG 51 1HD ARG 51 -6.693 1.119 8.473 378 HE ARG 51 HE ARG 51 -7.277 -1.149 6.857 379 HH11 ARG 51 1HH1 ARG 51 -8.387 0.613 9.669 380 HH12 ARG 51 2HH1 ARG 51 -10.036 0.100 9.499 381 HH21 ARG 51 1HH2 ARG 51 -9.452 -1.823 6.624 382 HH22 ARG 51 2HH2 ARG 51 -10.642 -1.296 7.777 383 H ALA 52 H ALA 52 -2.550 -1.882 9.101 384 HA ALA 52 HA ALA 52 -1.641 0.652 9.812 385 HB1 ALA 52 1HB ALA 52 -0.758 -1.984 10.989 386 HB2 ALA 52 2HB ALA 52 -2.250 -1.143 11.409 387 HB3 ALA 52 3HB ALA 52 -0.688 -0.402 11.767 388 H TRP 53 H TRP 53 0.249 -2.205 8.689 389 HA TRP 53 HA TRP 53 2.703 -0.770 8.951 390 HB2 TRP 53 2HB TRP 53 3.812 -2.712 8.394 391 HB3 TRP 53 1HB TRP 53 2.292 -3.351 8.985 392 HD1 TRP 53 HD TRP 53 1.090 -5.003 7.550 393 HE1 TRP 53 1HE TRP 53 1.330 -5.881 5.144 394 HE3 TRP 53 3HE TRP 53 4.690 -1.799 5.851 395 HZ2 TRP 53 2HZ TRP 53 2.844 -5.322 2.854 396 HZ3 TRP 53 3HZ TRP 53 5.491 -2.058 3.543 397 HH2 TRP 53 HH TRP 53 4.582 -3.784 2.075 398 H VAL 54 H VAL 54 0.555 -1.479 6.247 399 HA VAL 54 HA VAL 54 2.382 -0.569 4.275 400 HB VAL 54 HB VAL 54 0.232 -2.091 4.078 401 HG11 VAL 54 1HG1 VAL 54 -1.615 -0.921 2.961 402 HG12 VAL 54 2HG1 VAL 54 -0.843 0.619 3.338 403 HG13 VAL 54 3HG1 VAL 54 -1.410 -0.425 4.641 404 HG21 VAL 54 3HG2 VAL 54 1.861 -1.813 2.329 405 HG22 VAL 54 1HG2 VAL 54 1.201 -0.228 1.918 406 HG23 VAL 54 2HG2 VAL 54 0.239 -1.682 1.646 407 H ILE 55 H ILE 55 -0.401 0.965 5.900 408 HA ILE 55 HA ILE 55 -0.210 3.424 4.555 409 HB ILE 55 HB ILE 55 -1.288 2.732 7.279 410 HG12 ILE 55 2HG1 ILE 55 -2.630 3.390 4.650 411 HG13 ILE 55 1HG1 ILE 55 -2.434 1.774 5.328 412 HG21 ILE 55 1HG2 ILE 55 -1.539 5.361 5.817 413 HG22 ILE 55 2HG2 ILE 55 -0.623 5.077 7.298 414 HG23 ILE 55 3HG2 ILE 55 -2.378 4.911 7.304 415 HD11 ILE 55 3HD1 ILE 55 -3.832 2.394 7.217 416 HD12 ILE 55 1HD1 ILE 55 -4.676 2.634 5.684 417 HD13 ILE 55 2HD1 ILE 55 -4.015 4.019 6.553 418 H LYS 56 H LYS 56 1.298 2.351 7.617 419 HA LYS 56 HA LYS 56 2.493 4.866 8.134 420 HB2 LYS 56 2HB LYS 56 3.084 2.100 9.152 421 HB3 LYS 56 1HB LYS 56 4.015 3.503 9.661 422 HG2 LYS 56 2HG LYS 56 1.939 4.559 10.464 423 HG3 LYS 56 1HG LYS 56 1.051 3.102 10.014 424 HD2 LYS 56 2HD LYS 56 2.326 1.791 11.593 425 HD3 LYS 56 1HD LYS 56 3.335 3.188 11.984 426 HE2 LYS 56 2HE LYS 56 1.356 4.361 12.836 427 HE3 LYS 56 1HE LYS 56 0.367 2.952 12.464 428 HZ1 LYS 56 3HZ LYS 56 1.043 3.089 14.810 429 HZ2 LYS 56 1HZ LYS 56 2.659 2.931 14.343 430 HZ3 LYS 56 2HZ LYS 56 1.573 1.668 14.060 431 H CYS 57 H CYS 57 3.715 1.959 6.490 432 HA CYS 57 HA CYS 57 6.336 2.968 6.130 433 HB2 CYS 57 2HB CYS 57 4.826 0.886 4.541 434 HB3 CYS 57 1HB CYS 57 6.548 1.212 4.380 435 HG CYS 57 HG CYS 57 4.897 -0.236 6.974 436 H ALA 58 H ALA 58 3.467 2.997 4.019 437 HA ALA 58 HA ALA 58 4.673 4.394 1.887 438 HB1 ALA 58 1HB ALA 58 2.406 4.863 1.131 439 HB2 ALA 58 2HB ALA 58 1.767 4.377 2.701 440 HB3 ALA 58 3HB ALA 58 2.550 3.187 1.661 441 H HIS 59 H HIS 59 3.061 5.471 4.824 442 HA HIS 59 HA HIS 59 2.899 8.211 4.291 443 HB2 HIS 59 2HB HIS 59 1.918 6.922 6.260 444 HB3 HIS 59 1HB HIS 59 3.511 7.002 6.994 445 HD1 HIS 59 1HD HIS 59 1.791 8.257 8.809 446 HD2 HIS 59 2HD HIS 59 2.951 10.349 5.412 447 HE1 HIS 59 1HE HIS 59 1.292 10.670 9.299 448 HE2 HIS 59 2HE HIS 59 2.151 11.931 7.299 449 H GLU 60 H GLU 60 5.476 6.339 5.872 450 HA GLU 60 HA GLU 60 7.258 8.494 6.221 451 HB2 GLU 60 2HB GLU 60 7.764 5.525 6.005 452 HB3 GLU 60 1HB GLU 60 8.990 6.698 6.463 453 HG2 GLU 60 2HG GLU 60 6.430 6.179 7.956 454 HG3 GLU 60 1HG GLU 60 8.019 5.558 8.396 455 H ALA 61 H ALA 61 6.860 6.146 3.615 456 HA ALA 61 HA ALA 61 9.156 6.854 2.138 457 HB1 ALA 61 1HB ALA 61 6.575 5.652 1.137 458 HB2 ALA 61 2HB ALA 61 7.943 4.753 1.795 459 HB3 ALA 61 3HB ALA 61 8.119 5.652 0.288 460 H LEU 62 H LEU 62 5.822 8.013 2.043 461 HA LEU 62 HA LEU 62 6.154 9.634 -0.262 462 HB2 LEU 62 2HB LEU 62 3.965 8.861 0.518 463 HB3 LEU 62 1HB LEU 62 4.131 9.839 1.963 464 HG LEU 62 HG LEU 62 4.338 11.831 0.321 465 HD11 LEU 62 1HD1 LEU 62 4.571 10.407 -1.688 466 HD12 LEU 62 2HD1 LEU 62 3.239 11.558 -1.792 467 HD13 LEU 62 3HD1 LEU 62 2.909 9.859 -1.448 468 HD21 LEU 62 3HD2 LEU 62 2.476 11.509 1.828 469 HD22 LEU 62 1HD2 LEU 62 1.748 10.358 0.708 470 HD23 LEU 62 2HD2 LEU 62 1.903 12.055 0.250 471 H GLU 63 H GLU 63 6.205 10.359 3.226 472 HA GLU 63 HA GLU 63 6.535 13.151 2.889 473 HB2 GLU 63 2HB GLU 63 7.227 11.383 5.238 474 HB3 GLU 63 1HB GLU 63 7.271 13.138 5.277 475 HG2 GLU 63 2HG GLU 63 4.822 13.064 4.610 476 HG3 GLU 63 1HG GLU 63 4.888 11.341 4.981 477 H LYS 64 H LYS 64 8.785 10.506 2.848 478 HA LYS 64 HA LYS 64 11.183 11.903 3.303 479 HB2 LYS 64 2HB LYS 64 10.987 9.430 3.211 480 HB3 LYS 64 1HB LYS 64 10.713 9.537 1.479 481 HG2 LYS 64 2HG LYS 64 12.991 8.915 1.869 482 HG3 LYS 64 1HG LYS 64 12.953 10.558 1.224 483 HD2 LYS 64 2HD LYS 64 14.554 10.433 3.032 484 HD3 LYS 64 1HD LYS 64 13.181 11.427 3.528 485 HE2 LYS 64 2HE LYS 64 12.233 9.480 4.706 486 HE3 LYS 64 1HE LYS 64 13.652 8.537 4.255 487 HZ1 LYS 64 3HZ LYS 64 13.836 9.395 6.496 488 HZ2 LYS 64 1HZ LYS 64 13.663 10.982 5.940 489 HZ3 LYS 64 2HZ LYS 64 15.026 10.077 5.508 490 H ASN 65 H ASN 65 9.293 11.325 0.407 491 HA ASN 65 HA ASN 65 10.624 13.562 -0.892 492 HB2 ASN 65 2HB ASN 65 10.630 12.174 -3.056 493 HB3 ASN 65 1HB ASN 65 11.879 11.833 -1.870 494 HD21 ASN 65 1HD2 ASN 65 8.489 10.793 -2.064 495 HD22 ASN 65 2HD2 ASN 65 8.835 9.096 -2.100 496 HA PRO 66 HA PRO 66 6.014 13.548 -0.996 497 HB2 PRO 66 2HB PRO 66 5.639 16.096 -0.227 498 HB3 PRO 66 1HB PRO 66 6.035 14.822 0.928 499 HG2 PRO 66 2HG PRO 66 7.841 16.854 -0.331 500 HG3 PRO 66 1HG PRO 66 7.747 16.344 1.365 501 HD2 PRO 66 2HD PRO 66 9.618 15.390 -0.361 502 HD3 PRO 66 1HD PRO 66 8.980 14.440 0.993 503 H LYS 67 H LYS 67 7.488 13.646 -3.304 504 HA LYS 67 HA LYS 67 5.958 15.571 -4.891 505 HB2 LYS 67 2HB LYS 67 8.935 15.082 -5.092 506 HB3 LYS 67 1HB LYS 67 7.999 15.918 -6.326 507 HG2 LYS 67 2HG LYS 67 7.383 17.632 -4.674 508 HG3 LYS 67 1HG LYS 67 8.362 16.802 -3.467 509 HD2 LYS 67 2HD LYS 67 9.405 17.937 -6.062 510 HD3 LYS 67 1HD LYS 67 9.523 18.729 -4.490 511 HE2 LYS 67 2HE LYS 67 10.814 16.795 -3.653 512 HE3 LYS 67 1HE LYS 67 10.757 16.090 -5.267 513 HZ1 LYS 67 3HZ LYS 67 11.926 18.048 -6.104 514 HZ2 LYS 67 1HZ LYS 67 12.832 17.239 -4.927 515 HZ3 LYS 67 2HZ LYS 67 12.024 18.670 -4.537 516 H ILE 68 H ILE 68 6.605 12.495 -4.200 517 HA ILE 68 HA ILE 68 6.794 11.429 -6.887 518 HB ILE 68 HB ILE 68 6.632 9.217 -5.809 519 HG12 ILE 68 2HG1 ILE 68 6.705 10.660 -3.155 520 HG13 ILE 68 1HG1 ILE 68 5.203 10.093 -3.883 521 HG21 ILE 68 1HG2 ILE 68 8.787 9.306 -4.637 522 HG22 ILE 68 2HG2 ILE 68 8.682 11.067 -4.610 523 HG23 ILE 68 3HG2 ILE 68 8.804 10.215 -6.150 524 HD11 ILE 68 3HD1 ILE 68 6.016 7.812 -3.826 525 HD12 ILE 68 1HD1 ILE 68 6.070 8.536 -2.219 526 HD13 ILE 68 2HD1 ILE 68 7.553 8.361 -3.158 527 H ARG 69 H ARG 69 5.210 9.361 -7.058 528 HA ARG 69 HA ARG 69 2.487 10.369 -6.620 529 HB2 ARG 69 2HB ARG 69 3.634 9.471 -9.258 530 HB3 ARG 69 1HB ARG 69 1.914 9.659 -8.959 531 HG2 ARG 69 2HG ARG 69 2.305 12.038 -8.424 532 HG3 ARG 69 1HG ARG 69 4.004 11.821 -8.851 533 HD2 ARG 69 2HD ARG 69 3.295 11.092 -11.105 534 HD3 ARG 69 1HD ARG 69 1.626 11.441 -10.662 535 HE ARG 69 HE ARG 69 2.976 13.766 -10.167 536 HH11 ARG 69 1HH1 ARG 69 2.470 11.691 -12.935 537 HH12 ARG 69 2HH1 ARG 69 2.649 12.969 -14.094 538 HH21 ARG 69 1HH2 ARG 69 3.215 15.463 -11.690 539 HH22 ARG 69 2HH2 ARG 69 3.094 15.113 -13.384 540 H GLU 70 H GLU 70 4.648 7.691 -6.880 541 HA GLU 70 HA GLU 70 2.753 6.014 -5.591 542 HB2 GLU 70 2HB GLU 70 2.687 4.250 -7.343 543 HB3 GLU 70 1HB GLU 70 1.849 5.738 -7.781 544 HG2 GLU 70 2HG GLU 70 3.671 6.398 -9.207 545 HG3 GLU 70 1HG GLU 70 4.637 5.021 -8.678 546 H VAL 71 H VAL 71 3.611 3.975 -4.949 547 HA VAL 71 HA VAL 71 6.549 3.807 -5.039 548 HB VAL 71 HB VAL 71 4.754 3.328 -2.641 549 HG11 VAL 71 1HG1 VAL 71 6.815 2.989 -1.377 550 HG12 VAL 71 2HG1 VAL 71 7.753 3.140 -2.864 551 HG13 VAL 71 3HG1 VAL 71 6.637 1.789 -2.657 552 HG21 VAL 71 3HG2 VAL 71 6.836 5.460 -3.066 553 HG22 VAL 71 1HG2 VAL 71 5.816 5.252 -1.645 554 HG23 VAL 71 2HG2 VAL 71 5.097 5.705 -3.191 555 H TYR 72 H TYR 72 7.388 1.663 -4.899 556 HA TYR 72 HA TYR 72 5.410 -0.454 -5.452 557 HB2 TYR 72 2HB TYR 72 8.364 -0.502 -6.129 558 HB3 TYR 72 1HB TYR 72 7.124 -1.620 -6.689 559 HD1 TYR 72 1HD TYR 72 5.486 -0.896 -8.395 560 HD2 TYR 72 2HD TYR 72 8.712 1.607 -7.200 561 HE1 TYR 72 1HE TYR 72 5.143 0.496 -10.392 562 HE2 TYR 72 2HE TYR 72 8.378 3.003 -9.194 563 HH TYR 72 HH TYR 72 5.610 2.808 -11.129 564 H LEU 73 H LEU 73 5.085 -1.821 -3.935 565 HA LEU 73 HA LEU 73 7.074 -1.968 -1.778 566 HB2 LEU 73 2HB LEU 73 5.226 -0.361 -1.365 567 HB3 LEU 73 1HB LEU 73 4.086 -1.677 -1.521 568 HG LEU 73 HG LEU 73 4.985 -2.735 0.428 569 HD11 LEU 73 1HD1 LEU 73 6.666 -1.595 1.833 570 HD12 LEU 73 2HD1 LEU 73 6.884 -0.401 0.554 571 HD13 LEU 73 3HD1 LEU 73 7.312 -2.088 0.267 572 HD21 LEU 73 3HD2 LEU 73 3.200 -1.085 0.689 573 HD22 LEU 73 1HD2 LEU 73 4.406 0.185 0.891 574 HD23 LEU 73 2HD2 LEU 73 4.266 -1.096 2.095 575 H LYS 74 H LYS 74 7.277 -3.930 -0.740 576 HA LYS 74 HA LYS 74 5.571 -6.129 -1.697 577 HB2 LYS 74 2HB LYS 74 7.907 -6.040 -2.722 578 HB3 LYS 74 1HB LYS 74 8.530 -6.383 -1.116 579 HG2 LYS 74 2HG LYS 74 6.508 -8.197 -2.368 580 HG3 LYS 74 1HG LYS 74 8.214 -8.318 -2.802 581 HD2 LYS 74 2HD LYS 74 8.828 -9.062 -0.729 582 HD3 LYS 74 1HD LYS 74 7.484 -8.253 0.081 583 HE2 LYS 74 2HE LYS 74 5.953 -9.912 -0.903 584 HE3 LYS 74 1HE LYS 74 7.340 -10.733 -1.623 585 HZ1 LYS 74 3HZ LYS 74 8.183 -11.260 0.498 586 HZ2 LYS 74 1HZ LYS 74 6.540 -11.665 0.538 587 HZ3 LYS 74 2HZ LYS 74 7.083 -10.244 1.286 588 HA PRO 75 HA PRO 75 4.671 -6.402 2.604 589 HB2 PRO 75 2HB PRO 75 3.597 -8.926 2.608 590 HB3 PRO 75 1HB PRO 75 2.730 -7.457 2.161 591 HG2 PRO 75 2HG PRO 75 3.962 -9.537 0.427 592 HG3 PRO 75 1HG PRO 75 2.478 -8.604 0.182 593 HD2 PRO 75 2HD PRO 75 4.788 -8.048 -1.118 594 HD3 PRO 75 1HD PRO 75 3.599 -6.806 -0.692 595 H ARG 76 H ARG 76 4.825 -8.038 4.459 596 HA ARG 76 HA ARG 76 7.620 -8.234 4.839 597 HB2 ARG 76 2HB ARG 76 5.802 -9.626 6.717 598 HB3 ARG 76 1HB ARG 76 7.145 -8.539 7.050 599 HG2 ARG 76 2HG ARG 76 5.647 -6.680 6.146 600 HG3 ARG 76 1HG ARG 76 4.328 -7.839 6.296 601 HD2 ARG 76 2HD ARG 76 4.362 -6.516 8.275 602 HD3 ARG 76 1HD ARG 76 4.962 -8.121 8.698 603 HE ARG 76 HE ARG 76 7.245 -7.099 8.497 604 HH11 ARG 76 1HH1 ARG 76 4.441 -5.174 9.333 605 HH12 ARG 76 2HH1 ARG 76 5.372 -3.932 10.107 606 HH21 ARG 76 1HH2 ARG 76 8.469 -5.467 9.518 607 HH22 ARG 76 2HH2 ARG 76 7.657 -4.090 10.199 608 H ALA 77 H ALA 77 5.104 -10.762 4.973 609 HA ALA 77 HA ALA 77 6.843 -12.881 5.452 610 HB1 ALA 77 1HB ALA 77 4.194 -12.973 4.025 611 HB2 ALA 77 2HB ALA 77 4.429 -13.024 5.771 612 HB3 ALA 77 3HB ALA 77 5.027 -14.343 4.763 613 H VAL 78 H VAL 78 8.404 -13.630 4.272 614 HA VAL 78 HA VAL 78 8.640 -13.149 1.464 615 HB VAL 78 HB VAL 78 10.233 -15.110 3.127 616 HG11 VAL 78 1HG1 VAL 78 10.524 -15.369 0.715 617 HG12 VAL 78 2HG1 VAL 78 11.988 -14.744 1.470 618 HG13 VAL 78 3HG1 VAL 78 10.928 -13.658 0.577 619 HG21 VAL 78 3HG2 VAL 78 10.277 -12.917 4.179 620 HG22 VAL 78 1HG2 VAL 78 10.744 -12.178 2.650 621 HG23 VAL 78 2HG2 VAL 78 11.843 -13.294 3.462 622 H LYS 79 H LYS 79 6.887 -15.347 3.255 623 HA LYS 79 HA LYS 79 7.066 -17.745 1.851 624 HB2 LYS 79 2HB LYS 79 4.713 -16.517 3.289 625 HB3 LYS 79 1HB LYS 79 4.771 -18.183 2.732 626 HG2 LYS 79 2HG LYS 79 6.647 -18.634 4.205 627 HG3 LYS 79 1HG LYS 79 6.661 -16.949 4.726 628 HD2 LYS 79 2HD LYS 79 5.547 -18.394 6.363 629 HD3 LYS 79 1HD LYS 79 4.438 -17.204 5.680 630 HE2 LYS 79 2HE LYS 79 3.398 -19.413 5.865 631 HE3 LYS 79 1HE LYS 79 3.520 -18.889 4.187 632 HZ1 LYS 79 3HZ LYS 79 5.346 -20.796 5.544 633 HZ2 LYS 79 1HZ LYS 79 5.473 -20.291 3.938 634 HZ3 LYS 79 2HZ LYS 79 4.140 -21.201 4.434 635 H ASN 80 H ASN 80 5.083 -14.880 1.183 636 HA ASN 80 HA ASN 80 3.617 -16.140 -0.902 637 HB2 ASN 80 2HB ASN 80 3.064 -13.690 -1.521 638 HB3 ASN 80 1HB ASN 80 2.427 -14.382 -0.030 639 HD21 ASN 80 1HD2 ASN 80 2.912 -13.494 1.824 640 HD22 ASN 80 2HD2 ASN 80 4.021 -12.198 2.030 641 H SER 81 H SER 81 6.581 -14.334 -0.747 642 HA SER 81 HA SER 81 8.347 -14.367 -2.153 643 HB2 SER 81 2HB SER 81 6.626 -16.005 -4.025 644 HB3 SER 81 1HB SER 81 8.372 -15.785 -4.136 645 HG SER 81 HG SER 81 6.903 -17.457 -2.532 646 H SER 82 H SER 82 5.462 -14.124 -4.297 647 HA SER 82 HA SER 82 6.753 -11.724 -5.407 648 HB2 SER 82 2HB SER 82 5.390 -13.904 -6.995 649 HB3 SER 82 1HB SER 82 6.122 -12.441 -7.657 650 HG SER 82 HG SER 82 7.935 -13.602 -6.113 651 H VAL 83 H VAL 83 4.358 -12.090 -3.523 652 HA VAL 83 HA VAL 83 2.398 -10.651 -5.134 653 HB VAL 83 HB VAL 83 1.637 -12.243 -3.298 654 HG11 VAL 83 1HG1 VAL 83 1.599 -11.427 -1.015 655 HG12 VAL 83 2HG1 VAL 83 2.513 -9.998 -1.496 656 HG13 VAL 83 3HG1 VAL 83 3.259 -11.591 -1.590 657 HG21 VAL 83 3HG2 VAL 83 -0.199 -10.792 -2.568 658 HG22 VAL 83 1HG2 VAL 83 0.132 -10.601 -4.289 659 HG23 VAL 83 2HG2 VAL 83 0.691 -9.381 -3.142 660 H GLN 84 H GLN 84 2.141 -8.462 -5.090 661 HA GLN 84 HA GLN 84 3.920 -6.955 -3.312 662 HB2 GLN 84 2HB GLN 84 3.675 -6.575 -6.296 663 HB3 GLN 84 1HB GLN 84 4.533 -5.489 -5.212 664 HG2 GLN 84 2HG GLN 84 6.071 -7.280 -4.618 665 HG3 GLN 84 1HG GLN 84 5.207 -8.382 -5.691 666 HE21 GLN 84 1HE2 GLN 84 6.995 -8.755 -6.953 667 HE22 GLN 84 2HE2 GLN 84 7.625 -7.574 -8.044 668 H PHE 85 H PHE 85 3.304 -4.831 -2.902 669 HA PHE 85 HA PHE 85 0.528 -4.226 -3.627 670 HB2 PHE 85 2HB PHE 85 2.159 -3.334 -1.246 671 HB3 PHE 85 1HB PHE 85 0.598 -2.639 -1.679 672 HD1 PHE 85 2HD PHE 85 -1.338 -4.377 -2.008 673 HD2 PHE 85 1HD PHE 85 2.194 -5.099 0.251 674 HE1 PHE 85 2HE PHE 85 -2.493 -6.168 -0.781 675 HE2 PHE 85 1HE PHE 85 1.042 -6.891 1.478 676 HZ PHE 85 HZ PHE 85 -1.304 -7.426 0.969 677 H HIS 86 H HIS 86 0.270 -2.757 -5.059 678 HA HIS 86 HA HIS 86 2.480 -0.960 -5.729 679 HB2 HIS 86 2HB HIS 86 1.267 -2.343 -7.490 680 HB3 HIS 86 1HB HIS 86 -0.144 -1.340 -7.189 681 HD1 HIS 86 1HD HIS 86 -0.037 -0.572 -9.689 682 HD2 HIS 86 2HD HIS 86 3.247 0.520 -7.375 683 HE1 HIS 86 1HE HIS 86 1.218 1.128 -11.044 684 HE2 HIS 86 2HE HIS 86 3.077 1.925 -9.548 685 H VAL 87 H VAL 87 2.450 0.771 -4.416 686 HA VAL 87 HA VAL 87 -0.114 1.771 -3.453 687 HB VAL 87 HB VAL 87 2.697 2.604 -2.696 688 HG11 VAL 87 1HG1 VAL 87 1.089 4.375 -2.290 689 HG12 VAL 87 2HG1 VAL 87 1.618 3.668 -0.762 690 HG13 VAL 87 3HG1 VAL 87 0.039 3.250 -1.427 691 HG21 VAL 87 3HG2 VAL 87 0.756 0.782 -1.277 692 HG22 VAL 87 1HG2 VAL 87 2.311 1.321 -0.641 693 HG23 VAL 87 2HG2 VAL 87 2.251 0.293 -2.073 694 H ILE 88 H ILE 88 -1.102 3.228 -4.644 695 HA ILE 88 HA ILE 88 0.535 5.105 -6.205 696 HB ILE 88 HB ILE 88 -2.239 4.059 -6.773 697 HG12 ILE 88 2HG1 ILE 88 0.352 3.681 -8.291 698 HG13 ILE 88 1HG1 ILE 88 -0.325 2.497 -7.175 699 HG21 ILE 88 1HG2 ILE 88 -0.551 6.022 -8.316 700 HG22 ILE 88 2HG2 ILE 88 -2.060 6.368 -7.470 701 HG23 ILE 88 3HG2 ILE 88 -2.063 5.312 -8.882 702 HD11 ILE 88 3HD1 ILE 88 -1.601 3.471 -9.716 703 HD12 ILE 88 1HD1 ILE 88 -2.306 2.314 -8.588 704 HD13 ILE 88 2HD1 ILE 88 -0.827 1.907 -9.460 705 H PHE 89 H PHE 89 0.102 7.242 -6.113 706 HA PHE 89 HA PHE 89 -1.635 8.046 -3.895 707 HB2 PHE 89 2HB PHE 89 0.846 9.281 -5.072 708 HB3 PHE 89 1HB PHE 89 -0.159 10.070 -3.865 709 HD1 PHE 89 1HD PHE 89 -0.837 8.369 -1.898 710 HD2 PHE 89 2HD PHE 89 2.711 8.225 -4.236 711 HE1 PHE 89 1HE PHE 89 0.265 7.075 -0.138 712 HE2 PHE 89 2HE PHE 89 3.825 6.934 -2.461 713 HZ PHE 89 HZ PHE 89 2.579 6.360 -0.425 714 H ASP 90 H ASP 90 -3.567 8.683 -4.724 715 HA ASP 90 HA ASP 90 -3.683 10.175 -7.220 716 HB2 ASP 90 2HB ASP 90 -5.878 9.317 -5.317 717 HB3 ASP 90 1HB ASP 90 -6.151 10.217 -6.803 718 H GLU 91 H GLU 91 -3.720 12.318 -7.350 719 HA GLU 91 HA GLU 91 -3.610 13.876 -4.916 720 HB2 GLU 91 2HB GLU 91 -3.455 14.684 -7.823 721 HB3 GLU 91 1HB GLU 91 -3.266 15.792 -6.473 722 HG2 GLU 91 2HG GLU 91 -1.300 14.570 -5.733 723 HG3 GLU 91 1HG GLU 91 -1.494 13.439 -7.073 724 H GLU 92 H GLU 92 -5.419 14.460 -3.936 725 HA GLU 92 HA GLU 92 -7.816 14.920 -5.536 726 HB2 GLU 92 2HB GLU 92 -8.320 15.433 -2.783 727 HB3 GLU 92 1HB GLU 92 -8.908 14.107 -3.774 728 HG2 GLU 92 2HG GLU 92 -7.896 13.130 -1.896 729 HG3 GLU 92 1HG GLU 92 -6.779 12.891 -3.234 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 14.398 -24.545 -23.052 2 H2 GLY 1 2HT GLY 1 15.769 -23.565 -22.957 3 H3 GLY 1 3HT GLY 1 14.249 -22.868 -23.195 4 HA2 GLY 1 1HA GLY 1 15.139 -24.306 -20.764 5 HA3 GLY 1 2HA GLY 1 14.955 -22.565 -20.917 6 H SER 2 H SER 2 13.499 -25.336 -19.862 7 HA SER 2 HA SER 2 10.789 -24.712 -20.560 8 HB2 SER 2 2HB SER 2 11.806 -26.658 -18.480 9 HB3 SER 2 1HB SER 2 10.206 -26.641 -19.223 10 HG SER 2 HG SER 2 11.376 -26.936 -21.271 11 H ALA 3 H ALA 3 9.516 -23.324 -19.575 12 HA ALA 3 HA ALA 3 10.041 -22.667 -16.751 13 HB1 ALA 3 1HB ALA 3 8.949 -20.497 -17.184 14 HB2 ALA 3 2HB ALA 3 8.808 -20.929 -18.887 15 HB3 ALA 3 3HB ALA 3 10.400 -20.725 -18.159 16 H MET 4 H MET 4 7.566 -23.119 -19.236 17 HA MET 4 HA MET 4 5.445 -23.917 -19.171 18 HB2 MET 4 2HB MET 4 6.639 -25.901 -18.335 19 HB3 MET 4 1HB MET 4 6.461 -25.311 -16.690 20 HG2 MET 4 2HG MET 4 4.024 -25.485 -16.909 21 HG3 MET 4 1HG MET 4 4.232 -26.126 -18.538 22 HE1 MET 4 3HE MET 4 5.782 -28.287 -14.765 23 HE2 MET 4 1HE MET 4 5.023 -26.696 -14.734 24 HE3 MET 4 2HE MET 4 6.602 -26.907 -15.492 25 H GLY 5 H GLY 5 4.879 -21.642 -18.682 26 HA2 GLY 5 2HA GLY 5 3.247 -20.362 -17.609 27 HA3 GLY 5 1HA GLY 5 3.226 -21.531 -16.295 28 H HIS 6 H HIS 6 3.182 -19.269 -15.212 29 HA HIS 6 HA HIS 6 5.931 -18.707 -14.382 30 HB2 HIS 6 2HB HIS 6 3.925 -16.609 -15.241 31 HB3 HIS 6 1HB HIS 6 5.404 -16.250 -14.359 32 HD1 HIS 6 1HD HIS 6 4.118 -16.383 -17.688 33 HD2 HIS 6 2HD HIS 6 7.782 -17.231 -15.923 34 HE1 HIS 6 1HE HIS 6 5.796 -16.329 -19.558 35 HE2 HIS 6 2HE HIS 6 7.974 -16.993 -18.490 36 H MET 7 H MET 7 6.126 -17.988 -12.261 37 HA MET 7 HA MET 7 4.108 -18.726 -10.428 38 HB2 MET 7 2HB MET 7 6.487 -16.896 -10.022 39 HB3 MET 7 1HB MET 7 5.515 -17.596 -8.736 40 HG2 MET 7 2HG MET 7 6.204 -19.833 -9.437 41 HG3 MET 7 1HG MET 7 7.186 -19.125 -10.716 42 HE1 MET 7 3HE MET 7 9.913 -17.193 -8.665 43 HE2 MET 7 1HE MET 7 8.369 -16.525 -9.193 44 HE3 MET 7 2HE MET 7 9.291 -17.575 -10.269 45 HA PRO 8 HA PRO 8 1.512 -15.248 -11.279 46 HB2 PRO 8 2HB PRO 8 -0.314 -15.687 -9.292 47 HB3 PRO 8 1HB PRO 8 -0.283 -16.578 -10.816 48 HG2 PRO 8 2HG PRO 8 0.778 -17.368 -8.138 49 HG3 PRO 8 1HG PRO 8 -0.096 -18.347 -9.331 50 HD2 PRO 8 2HD PRO 8 2.581 -18.489 -9.032 51 HD3 PRO 8 1HD PRO 8 1.791 -18.706 -10.607 52 H ALA 9 H ALA 9 2.877 -13.545 -10.725 53 HA ALA 9 HA ALA 9 3.052 -12.690 -7.964 54 HB1 ALA 9 1HB ALA 9 4.378 -10.830 -8.847 55 HB2 ALA 9 2HB ALA 9 4.007 -11.343 -10.494 56 HB3 ALA 9 3HB ALA 9 4.977 -12.376 -9.445 57 H VAL 10 H VAL 10 1.426 -11.641 -7.051 58 HA VAL 10 HA VAL 10 -0.549 -10.341 -8.785 59 HB VAL 10 HB VAL 10 -0.796 -11.107 -5.870 60 HG11 VAL 10 1HG1 VAL 10 -2.875 -10.168 -7.844 61 HG12 VAL 10 2HG1 VAL 10 -2.249 -9.251 -6.473 62 HG13 VAL 10 3HG1 VAL 10 -3.193 -10.715 -6.198 63 HG21 VAL 10 3HG2 VAL 10 -2.236 -12.929 -6.668 64 HG22 VAL 10 1HG2 VAL 10 -0.585 -13.084 -7.272 65 HG23 VAL 10 2HG2 VAL 10 -1.861 -12.486 -8.334 66 H ASP 11 H ASP 11 -0.460 -8.221 -8.988 67 HA ASP 11 HA ASP 11 0.873 -6.596 -6.979 68 HB2 ASP 11 2HB ASP 11 -0.285 -5.972 -9.697 69 HB3 ASP 11 1HB ASP 11 0.262 -4.710 -8.604 70 H VAL 12 H VAL 12 -0.221 -5.865 -5.307 71 HA VAL 12 HA VAL 12 -3.118 -5.543 -5.462 72 HB VAL 12 HB VAL 12 -1.202 -5.236 -3.139 73 HG11 VAL 12 1HG1 VAL 12 -4.214 -5.150 -3.172 74 HG12 VAL 12 2HG1 VAL 12 -3.134 -3.799 -2.830 75 HG13 VAL 12 3HG1 VAL 12 -3.207 -5.171 -1.725 76 HG21 VAL 12 3HG2 VAL 12 -2.215 -7.324 -2.334 77 HG22 VAL 12 1HG2 VAL 12 -1.414 -7.537 -3.891 78 HG23 VAL 12 2HG2 VAL 12 -3.173 -7.419 -3.813 79 H GLU 13 H GLU 13 -3.999 -3.603 -5.955 80 HA GLU 13 HA GLU 13 -2.174 -1.317 -6.043 81 HB2 GLU 13 2HB GLU 13 -4.855 -1.715 -7.374 82 HB3 GLU 13 1HB GLU 13 -3.818 -0.310 -7.570 83 HG2 GLU 13 2HG GLU 13 -2.104 -1.700 -8.593 84 HG3 GLU 13 1HG GLU 13 -3.124 -3.124 -8.375 85 H ILE 14 H ILE 14 -2.256 -0.070 -4.332 86 HA ILE 14 HA ILE 14 -4.875 0.381 -3.060 87 HB ILE 14 HB ILE 14 -2.212 0.988 -1.775 88 HG12 ILE 14 2HG1 ILE 14 -3.769 -1.603 -1.537 89 HG13 ILE 14 1HG1 ILE 14 -2.257 -1.419 -2.419 90 HG21 ILE 14 1HG2 ILE 14 -3.523 0.793 0.283 91 HG22 ILE 14 2HG2 ILE 14 -4.960 0.421 -0.670 92 HG23 ILE 14 3HG2 ILE 14 -4.197 2.006 -0.805 93 HD11 ILE 14 3HD1 ILE 14 -1.138 -0.805 -0.312 94 HD12 ILE 14 1HD1 ILE 14 -1.848 -2.419 -0.266 95 HD13 ILE 14 2HD1 ILE 14 -2.657 -1.078 0.546 96 H HIS 15 H HIS 15 -5.708 2.372 -3.323 97 HA HIS 15 HA HIS 15 -3.949 4.408 -4.478 98 HB2 HIS 15 2HB HIS 15 -6.961 4.167 -4.455 99 HB3 HIS 15 1HB HIS 15 -6.092 5.556 -5.102 100 HD1 HIS 15 1HD HIS 15 -7.129 2.106 -5.914 101 HD2 HIS 15 2HD HIS 15 -4.547 4.990 -7.453 102 HE1 HIS 15 1HE HIS 15 -6.560 1.333 -8.240 103 HE2 HIS 15 2HE HIS 15 -5.141 3.176 -9.209 104 H PHE 16 H PHE 16 -3.094 5.751 -3.114 105 HA PHE 16 HA PHE 16 -4.701 6.703 -0.841 106 HB2 PHE 16 2HB PHE 16 -1.705 6.539 -1.202 107 HB3 PHE 16 1HB PHE 16 -2.469 7.415 0.111 108 HD1 PHE 16 2HD PHE 16 -4.725 5.135 0.258 109 HD2 PHE 16 1HD PHE 16 -0.477 5.225 0.441 110 HE1 PHE 16 2HE PHE 16 -4.745 3.089 1.613 111 HE2 PHE 16 1HE PHE 16 -0.489 3.175 1.799 112 HZ PHE 16 HZ PHE 16 -2.626 2.103 2.385 113 HA PRO 17 HA PRO 17 -4.729 10.546 -3.205 114 HB2 PRO 17 2HB PRO 17 -6.088 11.454 -0.737 115 HB3 PRO 17 1HB PRO 17 -6.597 11.602 -2.425 116 HG2 PRO 17 2HG PRO 17 -7.781 9.858 -0.802 117 HG3 PRO 17 1HG PRO 17 -7.441 9.439 -2.495 118 HD2 PRO 17 2HD PRO 17 -5.954 8.648 -0.011 119 HD3 PRO 17 1HD PRO 17 -6.383 7.667 -1.426 120 H LEU 18 H LEU 18 -3.071 11.774 -3.277 121 HA LEU 18 HA LEU 18 -0.833 11.627 -1.777 122 HB2 LEU 18 2HB LEU 18 -1.243 12.676 -4.052 123 HB3 LEU 18 1HB LEU 18 -1.691 14.131 -3.209 124 HG LEU 18 HG LEU 18 0.575 14.255 -4.108 125 HD11 LEU 18 1HD1 LEU 18 1.774 14.963 -2.107 126 HD12 LEU 18 2HD1 LEU 18 0.553 14.186 -1.100 127 HD13 LEU 18 3HD1 LEU 18 0.114 15.556 -2.121 128 HD21 LEU 18 3HD2 LEU 18 1.087 11.870 -2.359 129 HD22 LEU 18 1HD2 LEU 18 2.363 12.875 -3.045 130 HD23 LEU 18 2HD2 LEU 18 1.266 11.997 -4.107 131 H LYS 19 H LYS 19 -3.422 14.013 -1.268 132 HA LYS 19 HA LYS 19 -1.820 15.577 0.507 133 HB2 LYS 19 2HB LYS 19 -4.775 15.662 -0.082 134 HB3 LYS 19 1HB LYS 19 -3.989 16.755 1.035 135 HG2 LYS 19 2HG LYS 19 -4.245 17.896 -1.018 136 HG3 LYS 19 1HG LYS 19 -2.536 17.502 -0.855 137 HD2 LYS 19 2HD LYS 19 -2.782 15.646 -2.387 138 HD3 LYS 19 1HD LYS 19 -4.520 15.912 -2.482 139 HE2 LYS 19 2HE LYS 19 -3.571 16.845 -4.420 140 HE3 LYS 19 1HE LYS 19 -4.039 18.185 -3.380 141 HZ1 LYS 19 3HZ LYS 19 -1.904 18.684 -4.212 142 HZ2 LYS 19 1HZ LYS 19 -1.305 17.143 -3.861 143 HZ3 LYS 19 2HZ LYS 19 -1.669 18.215 -2.604 144 H ARG 20 H ARG 20 -4.349 13.122 1.002 145 HA ARG 20 HA ARG 20 -4.451 13.788 3.824 146 HB2 ARG 20 2HB ARG 20 -6.219 12.110 3.995 147 HB3 ARG 20 1HB ARG 20 -6.537 13.247 2.689 148 HG2 ARG 20 2HG ARG 20 -5.483 11.466 1.169 149 HG3 ARG 20 1HG ARG 20 -5.726 10.373 2.532 150 HD2 ARG 20 2HD ARG 20 -7.650 10.145 1.187 151 HD3 ARG 20 1HD ARG 20 -8.134 11.151 2.550 152 HE ARG 20 HE ARG 20 -7.382 12.348 -0.034 153 HH11 ARG 20 1HH1 ARG 20 -9.675 11.966 2.592 154 HH12 ARG 20 2HH1 ARG 20 -10.776 13.149 1.949 155 HH21 ARG 20 1HH2 ARG 20 -8.826 13.884 -0.880 156 HH22 ARG 20 2HH2 ARG 20 -10.294 14.241 -0.014 157 H ILE 21 H ILE 21 -3.006 11.346 1.796 158 HA ILE 21 HA ILE 21 -2.301 9.621 3.975 159 HB ILE 21 HB ILE 21 -2.477 8.730 1.713 160 HG12 ILE 21 2HG1 ILE 21 -0.367 7.447 1.637 161 HG13 ILE 21 1HG1 ILE 21 0.352 8.573 2.783 162 HG21 ILE 21 1HG2 ILE 21 -0.748 9.226 0.029 163 HG22 ILE 21 2HG2 ILE 21 -0.110 10.482 1.090 164 HG23 ILE 21 3HG2 ILE 21 -1.739 10.627 0.430 165 HD11 ILE 21 3HD1 ILE 21 -0.348 6.506 3.857 166 HD12 ILE 21 1HD1 ILE 21 -2.006 6.781 3.323 167 HD13 ILE 21 2HD1 ILE 21 -1.256 7.885 4.475 168 H ALA 22 H ALA 22 -1.097 12.544 2.690 169 HA ALA 22 HA ALA 22 1.557 12.309 3.810 170 HB1 ALA 22 1HB ALA 22 1.806 14.645 3.131 171 HB2 ALA 22 2HB ALA 22 0.091 14.716 2.728 172 HB3 ALA 22 3HB ALA 22 1.169 13.665 1.812 173 H ALA 23 H ALA 23 -1.514 12.946 4.975 174 HA ALA 23 HA ALA 23 -0.734 14.851 7.017 175 HB1 ALA 23 1HB ALA 23 -3.387 13.504 6.504 176 HB2 ALA 23 2HB ALA 23 -2.905 15.096 5.918 177 HB3 ALA 23 3HB ALA 23 -3.096 14.815 7.648 178 H GLU 24 H GLU 24 -1.152 14.430 9.266 179 HA GLU 24 HA GLU 24 -0.129 11.830 10.001 180 HB2 GLU 24 2HB GLU 24 -0.685 14.310 11.633 181 HB3 GLU 24 1HB GLU 24 0.018 12.834 12.284 182 HG2 GLU 24 2HG GLU 24 1.937 13.055 10.852 183 HG3 GLU 24 1HG GLU 24 1.220 14.446 10.047 184 H GLY 25 H GLY 25 -3.127 13.394 9.803 185 HA2 GLY 25 2HA GLY 25 -4.421 11.369 11.477 186 HA3 GLY 25 1HA GLY 25 -5.208 12.756 10.737 187 H TYR 26 H TYR 26 -3.351 9.917 9.731 188 HA TYR 26 HA TYR 26 -4.682 9.912 7.181 189 HB2 TYR 26 2HB TYR 26 -3.206 7.886 6.771 190 HB3 TYR 26 1HB TYR 26 -2.367 9.395 7.099 191 HD1 TYR 26 1HD TYR 26 -1.138 9.711 9.170 192 HD2 TYR 26 2HD TYR 26 -3.137 6.045 8.370 193 HE1 TYR 26 1HE TYR 26 0.120 8.633 10.981 194 HE2 TYR 26 2HE TYR 26 -1.880 4.956 10.179 195 HH TYR 26 HH TYR 26 0.135 5.225 11.446 196 H ALA 27 H ALA 27 -4.669 7.930 10.103 197 HA ALA 27 HA ALA 27 -6.219 5.824 8.916 198 HB1 ALA 27 1HB ALA 27 -5.622 6.317 11.828 199 HB2 ALA 27 2HB ALA 27 -4.588 5.420 10.717 200 HB3 ALA 27 3HB ALA 27 -6.196 4.813 11.108 201 H GLU 28 H GLU 28 -7.035 8.854 9.922 202 HA GLU 28 HA GLU 28 -9.721 8.034 10.770 203 HB2 GLU 28 2HB GLU 28 -9.934 10.362 11.632 204 HB3 GLU 28 1HB GLU 28 -8.660 9.433 12.410 205 HG2 GLU 28 2HG GLU 28 -6.995 10.547 11.019 206 HG3 GLU 28 1HG GLU 28 -8.271 11.477 10.237 207 H ASP 29 H ASP 29 -8.267 8.640 7.995 208 HA ASP 29 HA ASP 29 -10.329 10.402 6.913 209 HB2 ASP 29 2HB ASP 29 -8.093 10.879 6.148 210 HB3 ASP 29 1HB ASP 29 -7.868 9.205 5.638 211 H GLU 30 H GLU 30 -12.087 9.651 6.017 212 HA GLU 30 HA GLU 30 -12.740 6.927 6.162 213 HB2 GLU 30 2HB GLU 30 -14.352 8.795 6.360 214 HB3 GLU 30 1HB GLU 30 -14.157 9.120 4.644 215 HG2 GLU 30 2HG GLU 30 -15.046 6.907 4.123 216 HG3 GLU 30 1HG GLU 30 -15.248 6.586 5.845 217 H LEU 31 H LEU 31 -11.546 8.899 3.527 218 HA LEU 31 HA LEU 31 -12.198 7.099 1.438 219 HB2 LEU 31 2HB LEU 31 -10.626 9.552 1.762 220 HB3 LEU 31 1HB LEU 31 -10.004 8.467 0.535 221 HG LEU 31 HG LEU 31 -12.795 9.634 0.633 222 HD11 LEU 31 1HD1 LEU 31 -11.093 11.275 0.043 223 HD12 LEU 31 2HD1 LEU 31 -12.102 10.878 -1.349 224 HD13 LEU 31 3HD1 LEU 31 -10.480 10.199 -1.212 225 HD21 LEU 31 3HD2 LEU 31 -12.934 7.476 -0.370 226 HD22 LEU 31 1HD2 LEU 31 -11.486 7.766 -1.334 227 HD23 LEU 31 2HD2 LEU 31 -12.964 8.667 -1.666 228 H LEU 32 H LEU 32 -9.374 7.625 3.456 229 HA LEU 32 HA LEU 32 -7.672 5.868 2.044 230 HB2 LEU 32 2HB LEU 32 -7.264 7.856 3.691 231 HB3 LEU 32 1HB LEU 32 -7.371 6.616 4.926 232 HG LEU 32 HG LEU 32 -5.576 5.398 3.600 233 HD11 LEU 32 1HD1 LEU 32 -5.748 6.696 1.555 234 HD12 LEU 32 2HD1 LEU 32 -4.127 6.822 2.236 235 HD13 LEU 32 3HD1 LEU 32 -5.269 8.152 2.428 236 HD21 LEU 32 3HD2 LEU 32 -3.784 6.667 4.672 237 HD22 LEU 32 1HD2 LEU 32 -5.159 6.442 5.753 238 HD23 LEU 32 2HD2 LEU 32 -4.908 7.997 4.957 239 H LEU 33 H LEU 33 -9.836 5.631 4.776 240 HA LEU 33 HA LEU 33 -9.023 3.063 5.660 241 HB2 LEU 33 2HB LEU 33 -10.393 4.970 6.817 242 HB3 LEU 33 1HB LEU 33 -11.765 4.134 6.127 243 HG LEU 33 HG LEU 33 -11.240 3.541 8.501 244 HD11 LEU 33 1HD1 LEU 33 -12.592 2.067 7.121 245 HD12 LEU 33 2HD1 LEU 33 -11.569 1.140 8.218 246 HD13 LEU 33 3HD1 LEU 33 -11.132 1.284 6.515 247 HD21 LEU 33 3HD2 LEU 33 -8.889 2.088 7.315 248 HD22 LEU 33 1HD2 LEU 33 -9.390 2.105 9.003 249 HD23 LEU 33 2HD2 LEU 33 -8.779 3.577 8.250 250 H ASN 34 H ASN 34 -11.753 4.153 3.599 251 HA ASN 34 HA ASN 34 -12.799 1.503 3.433 252 HB2 ASN 34 2HB ASN 34 -14.514 2.320 2.088 253 HB3 ASN 34 1HB ASN 34 -14.101 3.708 3.084 254 HD21 ASN 34 1HD2 ASN 34 -13.259 5.517 2.139 255 HD22 ASN 34 2HD2 ASN 34 -13.158 5.717 0.421 256 H GLN 35 H GLN 35 -10.652 3.415 1.384 257 HA GLN 35 HA GLN 35 -10.603 1.596 -0.785 258 HB2 GLN 35 2HB GLN 35 -8.811 3.777 0.192 259 HB3 GLN 35 1HB GLN 35 -8.245 2.712 -1.085 260 HG2 GLN 35 2HG GLN 35 -9.948 3.362 -2.543 261 HG3 GLN 35 1HG GLN 35 -10.883 4.123 -1.263 262 HE21 GLN 35 1HE2 GLN 35 -8.779 5.617 -0.076 263 HE22 GLN 35 2HE2 GLN 35 -8.311 6.842 -1.190 264 H MET 36 H MET 36 -8.552 1.951 2.093 265 HA MET 36 HA MET 36 -7.188 -0.529 1.387 266 HB2 MET 36 2HB MET 36 -5.947 1.523 2.234 267 HB3 MET 36 1HB MET 36 -6.633 1.166 3.817 268 HG2 MET 36 2HG MET 36 -4.315 0.269 3.366 269 HG3 MET 36 1HG MET 36 -5.510 -0.891 3.955 270 HE1 MET 36 3HE MET 36 -4.360 -3.066 3.167 271 HE2 MET 36 1HE MET 36 -2.952 -2.093 2.734 272 HE3 MET 36 2HE MET 36 -3.605 -3.265 1.586 273 H GLY 37 H GLY 37 -10.039 0.039 2.627 274 HA2 GLY 37 2HA GLY 37 -9.890 -2.308 4.391 275 HA3 GLY 37 1HA GLY 37 -11.294 -1.262 4.181 276 H LYS 38 H LYS 38 -11.124 -1.106 1.375 277 HA LYS 38 HA LYS 38 -12.564 -3.325 0.483 278 HB2 LYS 38 2HB LYS 38 -12.676 -1.168 -0.619 279 HB3 LYS 38 1HB LYS 38 -10.967 -1.251 -1.019 280 HG2 LYS 38 2HG LYS 38 -11.392 -3.123 -2.515 281 HG3 LYS 38 1HG LYS 38 -13.105 -3.079 -2.095 282 HD2 LYS 38 2HD LYS 38 -12.728 -1.955 -4.217 283 HD3 LYS 38 1HD LYS 38 -13.255 -0.797 -2.996 284 HE2 LYS 38 2HE LYS 38 -10.874 -0.171 -2.642 285 HE3 LYS 38 1HE LYS 38 -10.432 -1.247 -3.966 286 HZ1 LYS 38 3HZ LYS 38 -10.600 1.017 -4.740 287 HZ2 LYS 38 1HZ LYS 38 -12.186 1.143 -4.163 288 HZ3 LYS 38 2HZ LYS 38 -11.828 0.091 -5.438 289 H VAL 39 H VAL 39 -9.230 -2.379 -0.415 290 HA VAL 39 HA VAL 39 -8.807 -5.133 -1.316 291 HB VAL 39 HB VAL 39 -8.276 -3.260 -2.829 292 HG11 VAL 39 1HG1 VAL 39 -6.217 -1.954 -2.490 293 HG12 VAL 39 2HG1 VAL 39 -6.072 -2.641 -0.870 294 HG13 VAL 39 3HG1 VAL 39 -7.450 -1.614 -1.276 295 HG21 VAL 39 3HG2 VAL 39 -6.104 -4.127 -3.585 296 HG22 VAL 39 1HG2 VAL 39 -7.251 -5.408 -3.190 297 HG23 VAL 39 2HG2 VAL 39 -5.953 -5.009 -2.065 298 H ASN 40 H ASN 40 -8.998 -5.309 1.220 299 HA ASN 40 HA ASN 40 -6.277 -5.276 2.327 300 HB2 ASN 40 2HB ASN 40 -7.670 -3.317 3.087 301 HB3 ASN 40 1HB ASN 40 -8.750 -4.477 3.854 302 HD21 ASN 40 1HD2 ASN 40 -5.256 -4.687 3.637 303 HD22 ASN 40 2HD2 ASN 40 -4.964 -4.588 5.339 304 H ASP 41 H ASP 41 -9.398 -6.733 2.120 305 HA ASP 41 HA ASP 41 -9.072 -8.301 4.518 306 HB2 ASP 41 2HB ASP 41 -11.214 -8.157 2.407 307 HB3 ASP 41 1HB ASP 41 -11.247 -9.383 3.670 308 H THR 42 H THR 42 -8.695 -8.823 1.063 309 HA THR 42 HA THR 42 -7.691 -11.526 1.672 310 HB THR 42 HB THR 42 -8.395 -12.147 -0.676 311 HG1 THR 42 1HG THR 42 -9.133 -10.569 -1.859 312 HG21 THR 42 3HG2 THR 42 -10.753 -12.508 -0.080 313 HG22 THR 42 1HG2 THR 42 -10.583 -11.370 1.257 314 HG23 THR 42 2HG2 THR 42 -9.678 -12.885 1.266 315 HA PRO 43 HA PRO 43 -4.532 -9.005 -0.642 316 HB2 PRO 43 2HB PRO 43 -2.960 -8.118 1.254 317 HB3 PRO 43 1HB PRO 43 -4.608 -7.476 1.145 318 HG2 PRO 43 2HG PRO 43 -3.515 -9.577 2.986 319 HG3 PRO 43 1HG PRO 43 -4.586 -8.217 3.369 320 HD2 PRO 43 2HD PRO 43 -5.384 -10.833 2.834 321 HD3 PRO 43 1HD PRO 43 -6.441 -9.410 2.787 322 H GLU 44 H GLU 44 -4.508 -11.916 0.843 323 HA GLU 44 HA GLU 44 -3.168 -13.725 0.923 324 HB2 GLU 44 2HB GLU 44 -2.425 -13.258 -1.333 325 HB3 GLU 44 1HB GLU 44 -1.252 -12.087 -0.740 326 HG2 GLU 44 2HG GLU 44 0.056 -13.784 0.282 327 HG3 GLU 44 1HG GLU 44 -1.195 -14.995 0.021 328 H GLU 45 H GLU 45 -1.452 -10.707 1.590 329 HA GLU 45 HA GLU 45 0.492 -11.861 3.281 330 HB2 GLU 45 2HB GLU 45 0.883 -9.706 2.288 331 HB3 GLU 45 1HB GLU 45 -0.538 -9.035 3.063 332 HG2 GLU 45 2HG GLU 45 1.467 -8.257 4.152 333 HG3 GLU 45 1HG GLU 45 0.535 -9.274 5.239 334 H GLU 46 H GLU 46 -1.722 -9.453 4.639 335 HA GLU 46 HA GLU 46 -2.566 -11.412 6.657 336 HB2 GLU 46 2HB GLU 46 -1.561 -8.633 7.300 337 HB3 GLU 46 1HB GLU 46 -2.223 -9.773 8.454 338 HG2 GLU 46 2HG GLU 46 -0.357 -11.187 8.282 339 HG3 GLU 46 1HG GLU 46 0.231 -10.367 6.839 340 H GLY 47 H GLY 47 -3.014 -7.956 6.768 341 HA2 GLY 47 2HA GLY 47 -5.234 -7.458 5.303 342 HA3 GLY 47 1HA GLY 47 -5.872 -8.201 6.762 343 H MET 48 H MET 48 -6.270 -6.938 8.419 344 HA MET 48 HA MET 48 -6.095 -4.201 8.381 345 HB2 MET 48 2HB MET 48 -7.636 -5.236 9.827 346 HB3 MET 48 1HB MET 48 -6.379 -6.175 10.616 347 HG2 MET 48 2HG MET 48 -7.234 -4.354 12.013 348 HG3 MET 48 1HG MET 48 -5.503 -4.252 11.707 349 HE1 MET 48 3HE MET 48 -5.782 -0.573 11.705 350 HE2 MET 48 1HE MET 48 -4.814 -2.018 12.001 351 HE3 MET 48 2HE MET 48 -6.324 -1.776 12.876 352 HA PRO 49 HA PRO 49 -2.142 -4.333 11.118 353 HB2 PRO 49 2HB PRO 49 -0.575 -6.564 10.937 354 HB3 PRO 49 1HB PRO 49 -1.780 -6.312 12.201 355 HG2 PRO 49 2HG PRO 49 -1.940 -7.966 9.729 356 HG3 PRO 49 1HG PRO 49 -2.606 -8.279 11.339 357 HD2 PRO 49 2HD PRO 49 -4.087 -7.388 9.234 358 HD3 PRO 49 1HD PRO 49 -4.493 -7.073 10.930 359 H LEU 50 H LEU 50 -2.044 -6.189 8.094 360 HA LEU 50 HA LEU 50 0.441 -5.256 7.216 361 HB2 LEU 50 2HB LEU 50 0.053 -6.297 5.237 362 HB3 LEU 50 1HB LEU 50 -1.117 -7.125 6.232 363 HG LEU 50 HG LEU 50 -2.824 -5.432 5.317 364 HD11 LEU 50 1HD1 LEU 50 -2.313 -4.592 3.079 365 HD12 LEU 50 2HD1 LEU 50 -0.663 -5.201 3.214 366 HD13 LEU 50 3HD1 LEU 50 -1.210 -3.896 4.268 367 HD21 LEU 50 3HD2 LEU 50 -2.787 -7.785 4.785 368 HD22 LEU 50 1HD2 LEU 50 -1.552 -7.504 3.560 369 HD23 LEU 50 2HD2 LEU 50 -3.165 -6.826 3.353 370 H ARG 51 H ARG 51 -2.819 -3.885 6.816 371 HA ARG 51 HA ARG 51 -1.893 -1.808 5.121 372 HB2 ARG 51 2HB ARG 51 -4.031 -0.822 5.268 373 HB3 ARG 51 1HB ARG 51 -4.282 -2.556 5.244 374 HG2 ARG 51 2HG ARG 51 -4.710 -2.555 7.624 375 HG3 ARG 51 1HG ARG 51 -4.362 -0.824 7.704 376 HD2 ARG 51 2HD ARG 51 -6.229 -0.368 6.209 377 HD3 ARG 51 1HD ARG 51 -6.565 -2.093 6.083 378 HE ARG 51 HE ARG 51 -6.614 -1.201 8.788 379 HH11 ARG 51 1HH1 ARG 51 -8.480 -1.355 5.831 380 HH12 ARG 51 2HH1 ARG 51 -10.012 -1.237 6.641 381 HH21 ARG 51 1HH2 ARG 51 -8.619 -1.042 9.859 382 HH22 ARG 51 2HH2 ARG 51 -10.089 -1.065 8.941 383 H ALA 52 H ALA 52 -2.184 -2.166 8.580 384 HA ALA 52 HA ALA 52 -1.696 0.461 9.347 385 HB1 ALA 52 1HB ALA 52 -0.796 -0.463 11.419 386 HB2 ALA 52 2HB ALA 52 -0.688 -2.056 10.669 387 HB3 ALA 52 3HB ALA 52 -2.263 -1.311 10.933 388 H TRP 53 H TRP 53 0.701 -2.135 8.618 389 HA TRP 53 HA TRP 53 2.867 -0.282 8.893 390 HB2 TRP 53 2HB TRP 53 4.358 -2.007 8.298 391 HB3 TRP 53 1HB TRP 53 3.084 -2.770 9.222 392 HD1 TRP 53 HD TRP 53 1.994 -4.830 8.210 393 HE1 TRP 53 1HE TRP 53 2.140 -6.066 5.957 394 HE3 TRP 53 3HE TRP 53 4.740 -1.428 5.580 395 HZ2 TRP 53 2HZ TRP 53 3.274 -5.668 3.423 396 HZ3 TRP 53 3HZ TRP 53 5.330 -1.938 3.251 397 HH2 TRP 53 HH TRP 53 4.606 -4.016 2.190 398 H VAL 54 H VAL 54 0.989 -1.462 6.198 399 HA VAL 54 HA VAL 54 2.596 -0.447 4.124 400 HB VAL 54 HB VAL 54 -0.044 -1.622 4.419 401 HG11 VAL 54 1HG1 VAL 54 0.347 0.340 2.153 402 HG12 VAL 54 2HG1 VAL 54 -0.834 0.479 3.456 403 HG13 VAL 54 3HG1 VAL 54 -0.968 -0.827 2.278 404 HG21 VAL 54 3HG2 VAL 54 1.928 -1.646 2.151 405 HG22 VAL 54 1HG2 VAL 54 0.558 -2.735 2.351 406 HG23 VAL 54 2HG2 VAL 54 1.893 -2.778 3.503 407 H ILE 55 H ILE 55 -0.270 0.936 5.725 408 HA ILE 55 HA ILE 55 -0.230 3.375 4.312 409 HB ILE 55 HB ILE 55 -1.416 2.637 6.988 410 HG12 ILE 55 2HG1 ILE 55 -2.679 3.043 4.273 411 HG13 ILE 55 1HG1 ILE 55 -2.330 1.482 5.010 412 HG21 ILE 55 1HG2 ILE 55 -2.760 4.668 6.818 413 HG22 ILE 55 2HG2 ILE 55 -1.834 5.154 5.397 414 HG23 ILE 55 3HG2 ILE 55 -1.039 5.022 6.966 415 HD11 ILE 55 3HD1 ILE 55 -4.680 2.073 5.222 416 HD12 ILE 55 1HD1 ILE 55 -4.240 3.549 6.082 417 HD13 ILE 55 2HD1 ILE 55 -3.904 1.975 6.803 418 H LYS 56 H LYS 56 1.244 2.342 7.363 419 HA LYS 56 HA LYS 56 2.320 4.838 8.103 420 HB2 LYS 56 2HB LYS 56 2.214 3.003 9.681 421 HB3 LYS 56 1HB LYS 56 3.274 2.028 8.679 422 HG2 LYS 56 2HG LYS 56 4.469 2.903 10.591 423 HG3 LYS 56 1HG LYS 56 5.109 3.588 9.097 424 HD2 LYS 56 2HD LYS 56 3.874 5.644 9.480 425 HD3 LYS 56 1HD LYS 56 3.137 4.955 10.930 426 HE2 LYS 56 2HE LYS 56 5.317 4.791 11.986 427 HE3 LYS 56 1HE LYS 56 6.096 5.399 10.526 428 HZ1 LYS 56 3HZ LYS 56 4.134 6.915 12.158 429 HZ2 LYS 56 1HZ LYS 56 4.981 7.496 10.808 430 HZ3 LYS 56 2HZ LYS 56 5.809 7.113 12.235 431 H CYS 57 H CYS 57 3.712 2.151 6.238 432 HA CYS 57 HA CYS 57 6.253 3.298 5.867 433 HB2 CYS 57 2HB CYS 57 5.709 0.893 5.524 434 HB3 CYS 57 1HB CYS 57 4.836 1.328 4.061 435 HG CYS 57 HG CYS 57 7.538 0.175 3.744 436 H ALA 58 H ALA 58 3.373 3.297 3.768 437 HA ALA 58 HA ALA 58 4.507 4.777 1.658 438 HB1 ALA 58 1HB ALA 58 1.621 4.620 2.528 439 HB2 ALA 58 2HB ALA 58 2.430 3.519 1.415 440 HB3 ALA 58 3HB ALA 58 2.196 5.207 0.969 441 H HIS 59 H HIS 59 2.899 5.729 4.624 442 HA HIS 59 HA HIS 59 2.642 8.480 4.119 443 HB2 HIS 59 2HB HIS 59 1.533 7.244 5.978 444 HB3 HIS 59 1HB HIS 59 3.090 7.097 6.778 445 HD1 HIS 59 1HD HIS 59 1.822 8.376 8.759 446 HD2 HIS 59 2HD HIS 59 2.545 10.590 5.326 447 HE1 HIS 59 1HE HIS 59 1.438 10.767 9.406 448 HE2 HIS 59 2HE HIS 59 2.067 12.097 7.368 449 H GLU 60 H GLU 60 5.182 6.676 5.845 450 HA GLU 60 HA GLU 60 6.818 8.920 6.354 451 HB2 GLU 60 2HB GLU 60 7.674 6.031 6.112 452 HB3 GLU 60 1HB GLU 60 8.546 7.315 6.936 453 HG2 GLU 60 2HG GLU 60 5.879 6.175 7.729 454 HG3 GLU 60 1HG GLU 60 7.424 5.887 8.529 455 H ALA 61 H ALA 61 6.708 6.582 3.715 456 HA ALA 61 HA ALA 61 9.043 7.301 2.363 457 HB1 ALA 61 1HB ALA 61 6.424 6.333 1.209 458 HB2 ALA 61 2HB ALA 61 7.753 5.318 1.774 459 HB3 ALA 61 3HB ALA 61 7.970 6.351 0.361 460 H LEU 62 H LEU 62 5.775 8.597 2.138 461 HA LEU 62 HA LEU 62 6.390 10.462 0.074 462 HB2 LEU 62 2HB LEU 62 4.168 9.525 0.431 463 HB3 LEU 62 1HB LEU 62 4.066 10.315 1.991 464 HG LEU 62 HG LEU 62 4.359 11.907 -0.546 465 HD11 LEU 62 1HD1 LEU 62 2.441 10.487 -0.884 466 HD12 LEU 62 2HD1 LEU 62 1.899 12.127 -0.521 467 HD13 LEU 62 3HD1 LEU 62 1.830 10.880 0.723 468 HD21 LEU 62 3HD2 LEU 62 3.310 13.656 0.757 469 HD22 LEU 62 1HD2 LEU 62 4.718 13.041 1.622 470 HD23 LEU 62 2HD2 LEU 62 3.098 12.554 2.118 471 H GLU 63 H GLU 63 5.883 10.809 3.579 472 HA GLU 63 HA GLU 63 6.382 13.532 3.721 473 HB2 GLU 63 2HB GLU 63 6.753 11.338 5.731 474 HB3 GLU 63 1HB GLU 63 7.161 13.003 6.112 475 HG2 GLU 63 2HG GLU 63 4.809 13.608 5.445 476 HG3 GLU 63 1HG GLU 63 4.461 11.879 5.408 477 H LYS 64 H LYS 64 8.647 10.924 3.270 478 HA LYS 64 HA LYS 64 10.937 12.579 3.955 479 HB2 LYS 64 2HB LYS 64 10.982 10.136 4.386 480 HB3 LYS 64 1HB LYS 64 10.819 9.840 2.662 481 HG2 LYS 64 2HG LYS 64 12.975 10.889 2.257 482 HG3 LYS 64 1HG LYS 64 13.135 11.250 3.977 483 HD2 LYS 64 2HD LYS 64 13.058 8.831 4.463 484 HD3 LYS 64 1HD LYS 64 12.971 8.504 2.731 485 HE2 LYS 64 2HE LYS 64 15.226 9.968 4.096 486 HE3 LYS 64 1HE LYS 64 15.253 8.258 3.674 487 HZ1 LYS 64 3HZ LYS 64 14.919 10.469 1.721 488 HZ2 LYS 64 1HZ LYS 64 15.087 8.826 1.362 489 HZ3 LYS 64 2HZ LYS 64 16.378 9.681 2.037 490 H ASN 65 H ASN 65 9.460 11.124 1.121 491 HA ASN 65 HA ASN 65 10.433 13.361 -0.486 492 HB2 ASN 65 2HB ASN 65 11.998 11.666 -1.079 493 HB3 ASN 65 1HB ASN 65 10.746 10.436 -1.151 494 HD21 ASN 65 1HD2 ASN 65 9.268 10.470 -2.860 495 HD22 ASN 65 2HD2 ASN 65 9.701 11.206 -4.387 496 HA PRO 66 HA PRO 66 6.062 12.675 -1.273 497 HB2 PRO 66 2HB PRO 66 5.228 15.144 -0.894 498 HB3 PRO 66 1HB PRO 66 5.884 14.236 0.457 499 HG2 PRO 66 2HG PRO 66 7.170 16.402 -1.138 500 HG3 PRO 66 1HG PRO 66 7.298 16.052 0.596 501 HD2 PRO 66 2HD PRO 66 9.099 15.244 -1.444 502 HD3 PRO 66 1HD PRO 66 9.102 14.726 0.254 503 H LYS 67 H LYS 67 8.258 13.223 -3.298 504 HA LYS 67 HA LYS 67 6.678 14.654 -5.323 505 HB2 LYS 67 2HB LYS 67 9.623 13.960 -5.283 506 HB3 LYS 67 1HB LYS 67 8.805 14.812 -6.584 507 HG2 LYS 67 2HG LYS 67 8.271 16.643 -5.058 508 HG3 LYS 67 1HG LYS 67 9.085 15.787 -3.747 509 HD2 LYS 67 2HD LYS 67 10.390 16.717 -6.308 510 HD3 LYS 67 1HD LYS 67 10.502 17.536 -4.749 511 HE2 LYS 67 2HE LYS 67 11.535 15.492 -3.803 512 HE3 LYS 67 1HE LYS 67 11.507 14.770 -5.410 513 HZ1 LYS 67 3HZ LYS 67 13.663 15.722 -4.906 514 HZ2 LYS 67 1HZ LYS 67 12.967 17.242 -4.654 515 HZ3 LYS 67 2HZ LYS 67 12.943 16.546 -6.192 516 H ILE 68 H ILE 68 6.887 11.667 -4.267 517 HA ILE 68 HA ILE 68 7.427 10.223 -6.689 518 HB ILE 68 HB ILE 68 6.263 8.311 -5.405 519 HG12 ILE 68 2HG1 ILE 68 6.703 10.273 -3.146 520 HG13 ILE 68 1HG1 ILE 68 5.143 9.719 -3.749 521 HG21 ILE 68 1HG2 ILE 68 8.325 7.921 -4.057 522 HG22 ILE 68 2HG2 ILE 68 8.865 9.528 -4.539 523 HG23 ILE 68 3HG2 ILE 68 8.602 8.287 -5.758 524 HD11 ILE 68 3HD1 ILE 68 5.668 7.451 -3.031 525 HD12 ILE 68 1HD1 ILE 68 5.760 8.590 -1.686 526 HD13 ILE 68 2HD1 ILE 68 7.239 7.997 -2.443 527 H ARG 69 H ARG 69 5.836 8.694 -7.529 528 HA ARG 69 HA ARG 69 3.246 10.022 -7.962 529 HB2 ARG 69 2HB ARG 69 4.336 7.811 -9.679 530 HB3 ARG 69 1HB ARG 69 3.204 9.082 -10.114 531 HG2 ARG 69 2HG ARG 69 4.869 10.636 -10.453 532 HG3 ARG 69 1HG ARG 69 6.016 9.792 -9.409 533 HD2 ARG 69 2HD ARG 69 5.105 8.980 -12.163 534 HD3 ARG 69 1HD ARG 69 6.719 9.499 -11.680 535 HE ARG 69 HE ARG 69 5.512 7.033 -10.594 536 HH11 ARG 69 1HH1 ARG 69 8.157 8.652 -12.238 537 HH12 ARG 69 2HH1 ARG 69 9.162 7.240 -12.251 538 HH21 ARG 69 1HH2 ARG 69 6.823 5.213 -10.583 539 HH22 ARG 69 2HH2 ARG 69 8.409 5.277 -11.302 540 H GLU 70 H GLU 70 4.785 6.863 -7.781 541 HA GLU 70 HA GLU 70 2.856 5.928 -5.881 542 HB2 GLU 70 2HB GLU 70 2.610 3.792 -7.454 543 HB3 GLU 70 1HB GLU 70 1.522 5.167 -7.560 544 HG2 GLU 70 2HG GLU 70 2.109 4.475 -9.762 545 HG3 GLU 70 1HG GLU 70 2.832 6.046 -9.439 546 H VAL 71 H VAL 71 3.593 3.968 -4.810 547 HA VAL 71 HA VAL 71 6.499 3.619 -5.157 548 HB VAL 71 HB VAL 71 5.861 4.970 -3.153 549 HG11 VAL 71 1HG1 VAL 71 4.930 3.777 -1.199 550 HG12 VAL 71 2HG1 VAL 71 4.587 2.400 -2.246 551 HG13 VAL 71 3HG1 VAL 71 3.793 3.949 -2.534 552 HG21 VAL 71 3HG2 VAL 71 7.983 3.802 -3.200 553 HG22 VAL 71 1HG2 VAL 71 7.216 2.338 -2.581 554 HG23 VAL 71 2HG2 VAL 71 7.310 3.780 -1.571 555 H TYR 72 H TYR 72 7.359 1.568 -4.397 556 HA TYR 72 HA TYR 72 5.438 -0.602 -4.906 557 HB2 TYR 72 2HB TYR 72 8.423 -0.747 -5.331 558 HB3 TYR 72 1HB TYR 72 7.175 -1.803 -5.993 559 HD1 TYR 72 2HD TYR 72 5.499 -0.761 -7.622 560 HD2 TYR 72 1HD TYR 72 9.170 1.095 -6.548 561 HE1 TYR 72 2HE TYR 72 5.347 0.684 -9.610 562 HE2 TYR 72 1HE TYR 72 9.025 2.552 -8.522 563 HH TYR 72 HH TYR 72 6.209 2.969 -10.260 564 H LEU 73 H LEU 73 4.954 -1.714 -3.173 565 HA LEU 73 HA LEU 73 6.955 -1.962 -1.030 566 HB2 LEU 73 2HB LEU 73 4.017 -1.610 -1.049 567 HB3 LEU 73 1HB LEU 73 4.678 -2.650 0.201 568 HG LEU 73 HG LEU 73 5.390 0.247 -0.269 569 HD11 LEU 73 1HD1 LEU 73 3.186 -0.075 0.735 570 HD12 LEU 73 2HD1 LEU 73 4.324 0.599 1.902 571 HD13 LEU 73 3HD1 LEU 73 3.895 -1.112 1.975 572 HD21 LEU 73 3HD2 LEU 73 6.460 -1.819 1.635 573 HD22 LEU 73 1HD2 LEU 73 6.616 -0.084 1.925 574 HD23 LEU 73 2HD2 LEU 73 7.352 -0.811 0.498 575 H LYS 74 H LYS 74 7.595 -3.923 -0.359 576 HA LYS 74 HA LYS 74 6.154 -6.238 -1.450 577 HB2 LYS 74 2HB LYS 74 8.754 -5.675 -1.892 578 HB3 LYS 74 1HB LYS 74 8.909 -6.602 -0.408 579 HG2 LYS 74 2HG LYS 74 7.428 -7.590 -2.835 580 HG3 LYS 74 1HG LYS 74 9.132 -7.920 -2.524 581 HD2 LYS 74 2HD LYS 74 8.658 -9.249 -0.666 582 HD3 LYS 74 1HD LYS 74 7.038 -8.575 -0.480 583 HE2 LYS 74 2HE LYS 74 7.028 -10.882 -1.367 584 HE3 LYS 74 1HE LYS 74 6.284 -9.718 -2.460 585 HZ1 LYS 74 3HZ LYS 74 7.705 -11.235 -3.664 586 HZ2 LYS 74 1HZ LYS 74 9.030 -10.823 -2.696 587 HZ3 LYS 74 2HZ LYS 74 8.351 -9.674 -3.733 588 HA PRO 75 HA PRO 75 4.432 -7.005 2.598 589 HB2 PRO 75 2HB PRO 75 4.883 -9.756 1.544 590 HB3 PRO 75 1HB PRO 75 3.446 -9.064 2.302 591 HG2 PRO 75 2HG PRO 75 3.750 -9.380 -0.391 592 HG3 PRO 75 1HG PRO 75 2.696 -8.167 0.352 593 HD2 PRO 75 2HD PRO 75 5.126 -7.788 -1.166 594 HD3 PRO 75 1HD PRO 75 3.992 -6.568 -0.568 595 H ARG 76 H ARG 76 5.071 -7.708 4.552 596 HA ARG 76 HA ARG 76 7.820 -7.881 5.135 597 HB2 ARG 76 2HB ARG 76 5.611 -8.905 6.910 598 HB3 ARG 76 1HB ARG 76 7.174 -8.271 7.397 599 HG2 ARG 76 2HG ARG 76 6.486 -6.044 6.579 600 HG3 ARG 76 1HG ARG 76 4.887 -6.705 6.226 601 HD2 ARG 76 2HD ARG 76 6.214 -6.625 8.931 602 HD3 ARG 76 1HD ARG 76 4.933 -5.549 8.383 603 HE ARG 76 HE ARG 76 3.613 -7.746 8.147 604 HH11 ARG 76 1HH1 ARG 76 6.046 -7.137 10.588 605 HH12 ARG 76 2HH1 ARG 76 5.302 -8.163 11.769 606 HH21 ARG 76 1HH2 ARG 76 2.605 -9.080 9.718 607 HH22 ARG 76 2HH2 ARG 76 3.347 -9.266 11.276 608 H ALA 77 H ALA 77 5.263 -10.285 4.841 609 HA ALA 77 HA ALA 77 6.996 -12.480 5.476 610 HB1 ALA 77 1HB ALA 77 4.609 -12.632 5.931 611 HB2 ALA 77 2HB ALA 77 5.116 -13.896 4.810 612 HB3 ALA 77 3HB ALA 77 4.259 -12.476 4.211 613 H VAL 78 H VAL 78 8.703 -12.103 4.056 614 HA VAL 78 HA VAL 78 8.599 -12.011 1.271 615 HB VAL 78 HB VAL 78 10.728 -13.323 2.980 616 HG11 VAL 78 1HG1 VAL 78 12.242 -12.863 1.124 617 HG12 VAL 78 2HG1 VAL 78 10.905 -12.202 0.184 618 HG13 VAL 78 3HG1 VAL 78 10.921 -13.915 0.613 619 HG21 VAL 78 3HG2 VAL 78 10.507 -10.476 2.005 620 HG22 VAL 78 1HG2 VAL 78 11.872 -11.164 2.883 621 HG23 VAL 78 2HG2 VAL 78 10.300 -11.022 3.668 622 H LYS 79 H LYS 79 8.053 -14.597 3.470 623 HA LYS 79 HA LYS 79 8.447 -16.847 1.889 624 HB2 LYS 79 2HB LYS 79 7.946 -16.911 4.299 625 HB3 LYS 79 1HB LYS 79 6.308 -16.369 3.974 626 HG2 LYS 79 2HG LYS 79 6.323 -18.743 4.382 627 HG3 LYS 79 1HG LYS 79 5.892 -18.430 2.702 628 HD2 LYS 79 2HD LYS 79 7.430 -20.291 2.812 629 HD3 LYS 79 1HD LYS 79 8.226 -18.915 2.048 630 HE2 LYS 79 2HE LYS 79 9.723 -20.012 3.617 631 HE3 LYS 79 1HE LYS 79 9.333 -18.385 4.165 632 HZ1 LYS 79 3HZ LYS 79 7.738 -19.312 5.710 633 HZ2 LYS 79 1HZ LYS 79 9.261 -19.997 5.971 634 HZ3 LYS 79 2HZ LYS 79 8.066 -20.878 5.164 635 H ASN 80 H ASN 80 5.878 -14.453 1.797 636 HA ASN 80 HA ASN 80 3.942 -16.012 0.454 637 HB2 ASN 80 2HB ASN 80 4.383 -13.030 0.465 638 HB3 ASN 80 1HB ASN 80 3.017 -13.811 -0.324 639 HD21 ASN 80 1HD2 ASN 80 3.051 -11.910 1.849 640 HD22 ASN 80 2HD2 ASN 80 2.264 -12.672 3.172 641 H SER 81 H SER 81 6.588 -14.008 -0.661 642 HA SER 81 HA SER 81 7.726 -13.868 -2.601 643 HB2 SER 81 2HB SER 81 6.260 -16.403 -3.359 644 HB3 SER 81 1HB SER 81 7.720 -15.774 -4.124 645 HG SER 81 HG SER 81 7.493 -16.523 -1.391 646 H SER 82 H SER 82 4.387 -14.859 -3.331 647 HA SER 82 HA SER 82 4.520 -13.801 -5.982 648 HB2 SER 82 2HB SER 82 2.079 -14.781 -4.509 649 HB3 SER 82 1HB SER 82 2.352 -14.749 -6.252 650 HG SER 82 HG SER 82 3.443 -16.462 -4.301 651 H VAL 83 H VAL 83 3.040 -12.693 -2.957 652 HA VAL 83 HA VAL 83 1.489 -10.720 -4.408 653 HB VAL 83 HB VAL 83 0.516 -11.965 -2.473 654 HG11 VAL 83 1HG1 VAL 83 1.115 -11.528 -0.238 655 HG12 VAL 83 2HG1 VAL 83 2.108 -10.149 -0.693 656 HG13 VAL 83 3HG1 VAL 83 2.644 -11.779 -1.082 657 HG21 VAL 83 3HG2 VAL 83 0.591 -8.962 -2.219 658 HG22 VAL 83 1HG2 VAL 83 -0.622 -10.024 -1.506 659 HG23 VAL 83 2HG2 VAL 83 -0.483 -9.899 -3.258 660 H GLN 84 H GLN 84 1.793 -8.568 -4.437 661 HA GLN 84 HA GLN 84 3.775 -7.339 -2.701 662 HB2 GLN 84 2HB GLN 84 4.870 -6.181 -4.586 663 HB3 GLN 84 1HB GLN 84 5.103 -7.919 -4.641 664 HG2 GLN 84 2HG GLN 84 3.172 -7.991 -6.273 665 HG3 GLN 84 1HG GLN 84 3.311 -6.234 -6.355 666 HE21 GLN 84 1HE2 GLN 84 4.815 -9.263 -7.096 667 HE22 GLN 84 2HE2 GLN 84 6.019 -8.644 -8.168 668 H PHE 85 H PHE 85 3.560 -4.996 -2.627 669 HA PHE 85 HA PHE 85 0.783 -4.243 -3.241 670 HB2 PHE 85 2HB PHE 85 2.610 -3.240 -1.050 671 HB3 PHE 85 1HB PHE 85 0.990 -2.628 -1.367 672 HD1 PHE 85 1HD PHE 85 -0.915 -4.386 -1.318 673 HD2 PHE 85 2HD PHE 85 2.906 -4.959 0.457 674 HE1 PHE 85 1HE PHE 85 -1.860 -6.126 0.140 675 HE2 PHE 85 2HE PHE 85 1.970 -6.702 1.918 676 HZ PHE 85 HZ PHE 85 -0.414 -7.289 1.758 677 H HIS 86 H HIS 86 0.437 -2.694 -4.629 678 HA HIS 86 HA HIS 86 2.644 -0.860 -5.303 679 HB2 HIS 86 2HB HIS 86 1.546 -2.394 -7.090 680 HB3 HIS 86 1HB HIS 86 0.169 -1.310 -6.969 681 HD1 HIS 86 1HD HIS 86 1.959 -1.707 -9.538 682 HD2 HIS 86 2HD HIS 86 2.258 1.433 -6.828 683 HE1 HIS 86 1HE HIS 86 3.022 0.178 -10.806 684 HE2 HIS 86 2HE HIS 86 3.383 1.997 -9.096 685 H VAL 87 H VAL 87 2.385 0.883 -4.015 686 HA VAL 87 HA VAL 87 -0.311 1.780 -3.355 687 HB VAL 87 HB VAL 87 2.391 2.635 -2.310 688 HG11 VAL 87 1HG1 VAL 87 0.895 4.553 -2.334 689 HG12 VAL 87 2HG1 VAL 87 1.162 3.998 -0.682 690 HG13 VAL 87 3HG1 VAL 87 -0.346 3.612 -1.509 691 HG21 VAL 87 3HG2 VAL 87 0.112 1.148 -1.012 692 HG22 VAL 87 1HG2 VAL 87 1.610 1.630 -0.216 693 HG23 VAL 87 2HG2 VAL 87 1.647 0.450 -1.528 694 H ILE 88 H ILE 88 -1.257 3.199 -4.601 695 HA ILE 88 HA ILE 88 0.405 4.896 -6.308 696 HB ILE 88 HB ILE 88 -2.482 4.088 -6.632 697 HG12 ILE 88 2HG1 ILE 88 -0.027 3.269 -8.202 698 HG13 ILE 88 1HG1 ILE 88 -0.813 2.274 -6.981 699 HG21 ILE 88 1HG2 ILE 88 -0.694 5.690 -8.457 700 HG22 ILE 88 2HG2 ILE 88 -2.094 6.295 -7.569 701 HG23 ILE 88 3HG2 ILE 88 -2.312 5.112 -8.862 702 HD11 ILE 88 3HD1 ILE 88 -2.064 3.216 -9.548 703 HD12 ILE 88 1HD1 ILE 88 -2.828 2.189 -8.335 704 HD13 ILE 88 2HD1 ILE 88 -1.430 1.599 -9.236 705 H PHE 89 H PHE 89 0.314 7.062 -6.199 706 HA PHE 89 HA PHE 89 -1.392 8.146 -4.087 707 HB2 PHE 89 2HB PHE 89 1.134 9.208 -5.341 708 HB3 PHE 89 1HB PHE 89 0.162 10.086 -4.165 709 HD1 PHE 89 2HD PHE 89 -0.263 9.058 -1.939 710 HD2 PHE 89 1HD PHE 89 2.676 7.590 -4.633 711 HE1 PHE 89 2HE PHE 89 0.806 7.838 -0.097 712 HE2 PHE 89 1HE PHE 89 3.746 6.356 -2.795 713 HZ PHE 89 HZ PHE 89 2.791 6.488 -0.539 714 H ASP 90 H ASP 90 -3.248 8.944 -4.856 715 HA ASP 90 HA ASP 90 -3.259 10.309 -7.463 716 HB2 ASP 90 2HB ASP 90 -4.989 8.544 -6.959 717 HB3 ASP 90 1HB ASP 90 -5.636 9.616 -5.728 718 H GLU 91 H GLU 91 -3.519 12.568 -7.553 719 HA GLU 91 HA GLU 91 -3.518 13.840 -4.943 720 HB2 GLU 91 2HB GLU 91 -3.135 14.966 -7.713 721 HB3 GLU 91 1HB GLU 91 -3.196 15.964 -6.268 722 HG2 GLU 91 2HG GLU 91 -1.316 14.377 -5.424 723 HG3 GLU 91 1HG GLU 91 -1.114 14.017 -7.139 724 H GLU 92 H GLU 92 -5.375 13.945 -4.046 725 HA GLU 92 HA GLU 92 -7.165 15.985 -4.723 726 HB2 GLU 92 2HB GLU 92 -7.896 13.313 -5.679 727 HB3 GLU 92 1HB GLU 92 -9.108 14.023 -4.626 728 HG2 GLU 92 2HG GLU 92 -8.923 16.087 -6.125 729 HG3 GLU 92 1HG GLU 92 -8.097 15.019 -7.258 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -10.440 -6.104 -15.074 2 H2 GLY 1 2HT GLY 1 -9.293 -5.363 -14.077 3 H3 GLY 1 3HT GLY 1 -10.024 -6.809 -13.595 4 HA2 GLY 1 1HA GLY 1 -8.224 -6.485 -15.927 5 HA3 GLY 1 2HA GLY 1 -7.772 -7.194 -14.384 6 H SER 2 H SER 2 -8.006 -8.234 -17.243 7 HA SER 2 HA SER 2 -9.383 -10.709 -16.500 8 HB2 SER 2 2HB SER 2 -9.778 -9.239 -19.117 9 HB3 SER 2 1HB SER 2 -10.398 -10.850 -18.756 10 HG SER 2 HG SER 2 -11.123 -9.229 -16.781 11 H ALA 3 H ALA 3 -8.525 -12.566 -17.393 12 HA ALA 3 HA ALA 3 -6.858 -13.943 -18.064 13 HB1 ALA 3 1HB ALA 3 -6.267 -11.804 -20.106 14 HB2 ALA 3 2HB ALA 3 -7.474 -13.077 -20.285 15 HB3 ALA 3 3HB ALA 3 -5.764 -13.494 -20.173 16 H MET 4 H MET 4 -6.335 -12.293 -15.910 17 HA MET 4 HA MET 4 -3.456 -11.746 -16.205 18 HB2 MET 4 2HB MET 4 -5.065 -9.783 -15.720 19 HB3 MET 4 1HB MET 4 -5.243 -10.490 -14.123 20 HG2 MET 4 2HG MET 4 -2.621 -9.628 -15.318 21 HG3 MET 4 1HG MET 4 -3.605 -8.636 -14.249 22 HE1 MET 4 3HE MET 4 -0.566 -9.624 -11.984 23 HE2 MET 4 1HE MET 4 -1.531 -8.294 -12.624 24 HE3 MET 4 2HE MET 4 -0.540 -9.267 -13.710 25 H GLY 5 H GLY 5 -2.274 -13.233 -15.210 26 HA2 GLY 5 2HA GLY 5 -3.481 -15.069 -13.341 27 HA3 GLY 5 1HA GLY 5 -1.828 -15.119 -13.941 28 H HIS 6 H HIS 6 -3.939 -13.222 -11.822 29 HA HIS 6 HA HIS 6 -1.675 -12.206 -10.341 30 HB2 HIS 6 2HB HIS 6 -3.370 -11.027 -8.970 31 HB3 HIS 6 1HB HIS 6 -3.541 -10.704 -10.689 32 HD1 HIS 6 1HD HIS 6 -5.260 -12.379 -7.809 33 HD2 HIS 6 2HD HIS 6 -5.921 -11.613 -11.842 34 HE1 HIS 6 1HE HIS 6 -7.684 -12.907 -8.209 35 HE2 HIS 6 2HE HIS 6 -8.000 -12.633 -10.693 36 H MET 7 H MET 7 -2.278 -15.103 -10.348 37 HA MET 7 HA MET 7 -2.591 -15.465 -7.456 38 HB2 MET 7 2HB MET 7 -4.208 -16.724 -8.857 39 HB3 MET 7 1HB MET 7 -2.863 -17.580 -9.598 40 HG2 MET 7 2HG MET 7 -2.256 -18.528 -7.449 41 HG3 MET 7 1HG MET 7 -3.557 -17.631 -6.671 42 HE1 MET 7 3HE MET 7 -4.929 -21.241 -6.419 43 HE2 MET 7 1HE MET 7 -4.550 -19.746 -5.563 44 HE3 MET 7 2HE MET 7 -3.251 -20.728 -6.243 45 HA PRO 8 HA PRO 8 1.503 -17.844 -8.525 46 HB2 PRO 8 2HB PRO 8 2.595 -17.267 -10.973 47 HB3 PRO 8 1HB PRO 8 1.639 -18.713 -10.640 48 HG2 PRO 8 2HG PRO 8 0.807 -16.144 -11.922 49 HG3 PRO 8 1HG PRO 8 0.384 -17.807 -12.366 50 HD2 PRO 8 2HD PRO 8 -1.312 -16.221 -11.013 51 HD3 PRO 8 1HD PRO 8 -1.229 -17.969 -10.719 52 H ALA 9 H ALA 9 0.889 -14.750 -10.112 53 HA ALA 9 HA ALA 9 2.919 -13.563 -8.341 54 HB1 ALA 9 1HB ALA 9 3.300 -11.831 -10.038 55 HB2 ALA 9 2HB ALA 9 2.170 -12.644 -11.121 56 HB3 ALA 9 3HB ALA 9 3.679 -13.435 -10.664 57 H VAL 10 H VAL 10 1.823 -12.567 -6.767 58 HA VAL 10 HA VAL 10 -0.891 -11.633 -7.325 59 HB VAL 10 HB VAL 10 0.534 -11.837 -4.665 60 HG11 VAL 10 1HG1 VAL 10 -2.385 -11.428 -5.313 61 HG12 VAL 10 2HG1 VAL 10 -1.290 -10.212 -4.658 62 HG13 VAL 10 3HG1 VAL 10 -1.706 -11.633 -3.698 63 HG21 VAL 10 3HG2 VAL 10 -0.810 -13.852 -4.305 64 HG22 VAL 10 1HG2 VAL 10 0.274 -14.032 -5.685 65 HG23 VAL 10 2HG2 VAL 10 -1.442 -13.719 -5.946 66 H ASP 11 H ASP 11 -1.224 -9.586 -7.809 67 HA ASP 11 HA ASP 11 0.521 -7.554 -6.602 68 HB2 ASP 11 2HB ASP 11 1.153 -7.712 -8.926 69 HB3 ASP 11 1HB ASP 11 -0.531 -7.622 -9.434 70 H VAL 12 H VAL 12 -0.557 -6.263 -5.340 71 HA VAL 12 HA VAL 12 -3.389 -5.685 -5.939 72 HB VAL 12 HB VAL 12 -2.021 -5.852 -3.242 73 HG11 VAL 12 1HG1 VAL 12 -4.865 -5.109 -3.908 74 HG12 VAL 12 2HG1 VAL 12 -3.633 -4.037 -3.244 75 HG13 VAL 12 3HG1 VAL 12 -4.235 -5.389 -2.284 76 HG21 VAL 12 3HG2 VAL 12 -3.583 -7.688 -2.814 77 HG22 VAL 12 1HG2 VAL 12 -2.535 -8.032 -4.190 78 HG23 VAL 12 2HG2 VAL 12 -4.206 -7.537 -4.457 79 H GLU 13 H GLU 13 -3.899 -3.539 -6.187 80 HA GLU 13 HA GLU 13 -1.705 -1.662 -5.681 81 HB2 GLU 13 2HB GLU 13 -2.746 -0.210 -7.397 82 HB3 GLU 13 1HB GLU 13 -2.201 -1.755 -8.027 83 HG2 GLU 13 2HG GLU 13 -4.473 -2.587 -8.035 84 HG3 GLU 13 1HG GLU 13 -5.045 -1.082 -7.317 85 H ILE 14 H ILE 14 -1.957 -0.120 -4.273 86 HA ILE 14 HA ILE 14 -4.658 0.357 -3.202 87 HB ILE 14 HB ILE 14 -2.070 0.725 -1.682 88 HG12 ILE 14 2HG1 ILE 14 -3.995 -1.609 -1.513 89 HG13 ILE 14 1HG1 ILE 14 -2.443 -1.665 -2.342 90 HG21 ILE 14 1HG2 ILE 14 -3.952 2.036 -0.876 91 HG22 ILE 14 2HG2 ILE 14 -3.545 0.761 0.271 92 HG23 ILE 14 3HG2 ILE 14 -4.945 0.581 -0.787 93 HD11 ILE 14 3HD1 ILE 14 -1.301 -1.234 -0.236 94 HD12 ILE 14 1HD1 ILE 14 -2.313 -2.675 -0.144 95 HD13 ILE 14 2HD1 ILE 14 -2.858 -1.168 0.595 96 H HIS 15 H HIS 15 -5.367 2.413 -3.297 97 HA HIS 15 HA HIS 15 -3.474 4.427 -4.281 98 HB2 HIS 15 2HB HIS 15 -6.495 4.351 -4.372 99 HB3 HIS 15 1HB HIS 15 -5.517 5.699 -4.941 100 HD1 HIS 15 1HD HIS 15 -6.822 2.412 -5.935 101 HD2 HIS 15 2HD HIS 15 -3.940 5.091 -7.270 102 HE1 HIS 15 1HE HIS 15 -6.208 1.641 -8.243 103 HE2 HIS 15 2HE HIS 15 -4.624 3.402 -9.103 104 H PHE 16 H PHE 16 -3.118 6.288 -3.204 105 HA PHE 16 HA PHE 16 -4.688 6.784 -0.773 106 HB2 PHE 16 2HB PHE 16 -1.685 6.858 -1.047 107 HB3 PHE 16 1HB PHE 16 -2.542 7.625 0.282 108 HD1 PHE 16 1HD PHE 16 -4.362 5.925 1.372 109 HD2 PHE 16 2HD PHE 16 -0.742 4.847 -0.570 110 HE1 PHE 16 1HE PHE 16 -4.320 3.821 2.636 111 HE2 PHE 16 2HE PHE 16 -0.691 2.732 0.685 112 HZ PHE 16 HZ PHE 16 -2.483 2.218 2.294 113 HA PRO 17 HA PRO 17 -4.933 10.848 -2.651 114 HB2 PRO 17 2HB PRO 17 -6.060 12.033 -0.439 115 HB3 PRO 17 1HB PRO 17 -6.982 11.181 -1.680 116 HG2 PRO 17 2HG PRO 17 -6.089 10.237 1.007 117 HG3 PRO 17 1HG PRO 17 -7.611 9.925 0.155 118 HD2 PRO 17 2HD PRO 17 -5.620 8.105 0.294 119 HD3 PRO 17 1HD PRO 17 -6.698 8.228 -1.109 120 H LEU 18 H LEU 18 -3.051 11.814 -2.797 121 HA LEU 18 HA LEU 18 -0.901 11.577 -1.114 122 HB2 LEU 18 2HB LEU 18 -0.991 12.375 -3.518 123 HB3 LEU 18 1HB LEU 18 -1.378 13.964 -2.893 124 HG LEU 18 HG LEU 18 1.133 12.565 -2.019 125 HD11 LEU 18 1HD1 LEU 18 1.162 12.503 -4.448 126 HD12 LEU 18 2HD1 LEU 18 2.317 13.691 -3.847 127 HD13 LEU 18 3HD1 LEU 18 0.771 14.221 -4.512 128 HD21 LEU 18 3HD2 LEU 18 0.471 14.582 -0.811 129 HD22 LEU 18 1HD2 LEU 18 0.385 15.473 -2.330 130 HD23 LEU 18 2HD2 LEU 18 1.935 14.862 -1.751 131 H LYS 19 H LYS 19 -3.407 14.018 -1.016 132 HA LYS 19 HA LYS 19 -2.064 15.797 0.740 133 HB2 LYS 19 2HB LYS 19 -4.977 15.459 0.042 134 HB3 LYS 19 1HB LYS 19 -4.423 16.671 1.183 135 HG2 LYS 19 2HG LYS 19 -4.724 17.730 -0.919 136 HG3 LYS 19 1HG LYS 19 -2.991 17.620 -0.620 137 HD2 LYS 19 2HD LYS 19 -2.758 15.827 -2.166 138 HD3 LYS 19 1HD LYS 19 -4.503 15.626 -2.290 139 HE2 LYS 19 2HE LYS 19 -3.509 16.744 -4.220 140 HE3 LYS 19 1HE LYS 19 -4.705 17.741 -3.404 141 HZ1 LYS 19 3HZ LYS 19 -1.758 17.978 -3.111 142 HZ2 LYS 19 1HZ LYS 19 -2.907 18.954 -2.345 143 HZ3 LYS 19 2HZ LYS 19 -2.739 19.007 -4.025 144 H ARG 20 H ARG 20 -4.250 13.067 1.298 145 HA ARG 20 HA ARG 20 -4.538 13.732 4.111 146 HB2 ARG 20 2HB ARG 20 -5.381 11.110 2.921 147 HB3 ARG 20 1HB ARG 20 -6.096 12.002 4.255 148 HG2 ARG 20 2HG ARG 20 -6.219 12.822 1.373 149 HG3 ARG 20 1HG ARG 20 -7.488 11.988 2.272 150 HD2 ARG 20 2HD ARG 20 -6.347 14.630 3.135 151 HD3 ARG 20 1HD ARG 20 -7.718 14.495 2.044 152 HE ARG 20 HE ARG 20 -8.667 13.068 3.993 153 HH11 ARG 20 1HH1 ARG 20 -6.763 15.998 4.244 154 HH12 ARG 20 2HH1 ARG 20 -7.474 16.487 5.743 155 HH21 ARG 20 1HH2 ARG 20 -9.632 13.735 5.960 156 HH22 ARG 20 2HH2 ARG 20 -9.109 15.204 6.717 157 H ILE 21 H ILE 21 -2.809 11.442 2.106 158 HA ILE 21 HA ILE 21 -1.969 9.779 4.277 159 HB ILE 21 HB ILE 21 -2.224 9.001 1.921 160 HG12 ILE 21 2HG1 ILE 21 -0.221 7.545 1.922 161 HG13 ILE 21 1HG1 ILE 21 0.500 8.566 3.162 162 HG21 ILE 21 1HG2 ILE 21 -0.399 9.400 0.333 163 HG22 ILE 21 2HG2 ILE 21 0.346 10.504 1.486 164 HG23 ILE 21 3HG2 ILE 21 -1.220 10.896 0.782 165 HD11 ILE 21 3HD1 ILE 21 -2.063 7.022 3.480 166 HD12 ILE 21 1HD1 ILE 21 -1.228 7.952 4.726 167 HD13 ILE 21 2HD1 ILE 21 -0.481 6.500 4.059 168 H ALA 22 H ALA 22 -1.115 12.841 3.374 169 HA ALA 22 HA ALA 22 1.663 12.596 4.275 170 HB1 ALA 22 1HB ALA 22 1.971 14.850 3.417 171 HB2 ALA 22 2HB ALA 22 0.255 14.954 3.032 172 HB3 ALA 22 3HB ALA 22 1.281 13.806 2.175 173 H ALA 23 H ALA 23 -1.346 13.160 5.537 174 HA ALA 23 HA ALA 23 -0.468 15.235 7.411 175 HB1 ALA 23 1HB ALA 23 -3.226 14.105 6.941 176 HB2 ALA 23 2HB ALA 23 -2.595 15.605 6.262 177 HB3 ALA 23 3HB ALA 23 -2.823 15.454 8.004 178 H GLU 24 H GLU 24 -1.312 14.944 9.721 179 HA GLU 24 HA GLU 24 -0.253 12.479 10.721 180 HB2 GLU 24 2HB GLU 24 -1.745 14.613 12.255 181 HB3 GLU 24 1HB GLU 24 -0.748 13.344 12.939 182 HG2 GLU 24 2HG GLU 24 0.658 15.143 13.050 183 HG3 GLU 24 1HG GLU 24 1.136 14.422 11.515 184 H GLY 25 H GLY 25 -3.453 13.944 10.529 185 HA2 GLY 25 2HA GLY 25 -4.690 11.571 11.685 186 HA3 GLY 25 1HA GLY 25 -5.504 13.070 11.259 187 H TYR 26 H TYR 26 -3.489 10.807 9.418 188 HA TYR 26 HA TYR 26 -5.068 11.042 7.077 189 HB2 TYR 26 2HB TYR 26 -3.693 9.121 6.244 190 HB3 TYR 26 1HB TYR 26 -2.740 10.471 6.860 191 HD1 TYR 26 1HD TYR 26 -1.454 10.274 8.903 192 HD2 TYR 26 2HD TYR 26 -3.742 6.989 7.474 193 HE1 TYR 26 1HE TYR 26 -0.276 8.784 10.461 194 HE2 TYR 26 2HE TYR 26 -2.568 5.490 9.028 195 HH TYR 26 HH TYR 26 -0.623 6.647 11.575 196 H ALA 27 H ALA 27 -5.044 8.789 9.765 197 HA ALA 27 HA ALA 27 -6.639 6.796 8.485 198 HB1 ALA 27 1HB ALA 27 -6.759 5.756 10.679 199 HB2 ALA 27 2HB ALA 27 -6.100 7.214 11.420 200 HB3 ALA 27 3HB ALA 27 -5.108 6.259 10.319 201 H GLU 28 H GLU 28 -7.371 9.821 9.565 202 HA GLU 28 HA GLU 28 -10.109 9.166 10.335 203 HB2 GLU 28 2HB GLU 28 -8.638 11.808 10.280 204 HB3 GLU 28 1HB GLU 28 -10.300 11.597 10.813 205 HG2 GLU 28 2HG GLU 28 -7.849 10.397 12.084 206 HG3 GLU 28 1HG GLU 28 -8.816 11.732 12.712 207 H ASP 29 H ASP 29 -8.465 9.498 7.551 208 HA ASP 29 HA ASP 29 -10.509 10.990 6.110 209 HB2 ASP 29 2HB ASP 29 -8.221 11.352 5.388 210 HB3 ASP 29 1HB ASP 29 -7.988 9.624 5.126 211 H GLU 30 H GLU 30 -12.161 10.098 5.071 212 HA GLU 30 HA GLU 30 -12.900 7.508 5.922 213 HB2 GLU 30 2HB GLU 30 -14.483 9.404 5.476 214 HB3 GLU 30 1HB GLU 30 -14.214 9.148 3.754 215 HG2 GLU 30 2HG GLU 30 -14.952 6.741 4.184 216 HG3 GLU 30 1HG GLU 30 -15.547 7.336 5.732 217 H LEU 31 H LEU 31 -11.538 8.771 2.968 218 HA LEU 31 HA LEU 31 -12.163 6.509 1.383 219 HB2 LEU 31 2HB LEU 31 -11.659 8.740 0.435 220 HB3 LEU 31 1HB LEU 31 -9.998 8.563 0.983 221 HG LEU 31 HG LEU 31 -9.926 6.449 -0.447 222 HD11 LEU 31 1HD1 LEU 31 -11.482 6.387 -2.328 223 HD12 LEU 31 2HD1 LEU 31 -12.384 7.730 -1.626 224 HD13 LEU 31 3HD1 LEU 31 -12.312 6.180 -0.787 225 HD21 LEU 31 3HD2 LEU 31 -8.794 8.535 -0.983 226 HD22 LEU 31 1HD2 LEU 31 -10.247 9.111 -1.800 227 HD23 LEU 31 2HD2 LEU 31 -9.377 7.704 -2.428 228 H LEU 32 H LEU 32 -9.386 7.577 3.283 229 HA LEU 32 HA LEU 32 -7.561 5.639 2.473 230 HB2 LEU 32 2HB LEU 32 -7.554 7.758 4.179 231 HB3 LEU 32 1HB LEU 32 -7.516 6.423 5.313 232 HG LEU 32 HG LEU 32 -5.578 5.591 3.760 233 HD11 LEU 32 1HD1 LEU 32 -4.243 7.426 2.877 234 HD12 LEU 32 2HD1 LEU 32 -5.517 8.562 3.321 235 HD13 LEU 32 3HD1 LEU 32 -5.820 7.331 2.097 236 HD21 LEU 32 3HD2 LEU 32 -3.973 6.739 5.216 237 HD22 LEU 32 1HD2 LEU 32 -5.329 6.060 6.114 238 HD23 LEU 32 2HD2 LEU 32 -5.270 7.791 5.782 239 H LEU 33 H LEU 33 -10.019 5.650 4.986 240 HA LEU 33 HA LEU 33 -9.248 3.185 6.156 241 HB2 LEU 33 2HB LEU 33 -10.477 4.959 7.340 242 HB3 LEU 33 1HB LEU 33 -11.868 4.667 6.316 243 HG LEU 33 HG LEU 33 -12.076 2.399 7.240 244 HD11 LEU 33 1HD1 LEU 33 -9.773 3.240 8.999 245 HD12 LEU 33 2HD1 LEU 33 -9.753 1.968 7.778 246 HD13 LEU 33 3HD1 LEU 33 -10.748 1.788 9.223 247 HD21 LEU 33 3HD2 LEU 33 -11.957 4.575 9.327 248 HD22 LEU 33 1HD2 LEU 33 -12.831 3.051 9.473 249 HD23 LEU 33 2HD2 LEU 33 -13.318 4.232 8.258 250 H ASN 34 H ASN 34 -11.945 4.043 3.936 251 HA ASN 34 HA ASN 34 -12.821 1.312 3.902 252 HB2 ASN 34 2HB ASN 34 -14.607 1.954 2.572 253 HB3 ASN 34 1HB ASN 34 -14.275 3.415 3.486 254 HD21 ASN 34 1HD2 ASN 34 -13.591 5.228 2.431 255 HD22 ASN 34 2HD2 ASN 34 -13.552 5.350 0.706 256 H GLN 35 H GLN 35 -10.664 3.233 1.981 257 HA GLN 35 HA GLN 35 -10.499 1.554 -0.287 258 HB2 GLN 35 2HB GLN 35 -9.480 3.968 0.450 259 HB3 GLN 35 1HB GLN 35 -8.055 2.952 0.599 260 HG2 GLN 35 2HG GLN 35 -7.990 2.493 -1.661 261 HG3 GLN 35 1HG GLN 35 -9.700 2.877 -1.878 262 HE21 GLN 35 1HE2 GLN 35 -7.821 4.995 0.056 263 HE22 GLN 35 2HE2 GLN 35 -7.705 6.284 -1.086 264 H MET 36 H MET 36 -8.659 1.751 2.732 265 HA MET 36 HA MET 36 -7.203 -0.690 2.086 266 HB2 MET 36 2HB MET 36 -6.959 1.356 4.270 267 HB3 MET 36 1HB MET 36 -6.141 -0.196 4.369 268 HG2 MET 36 2HG MET 36 -5.709 1.071 1.811 269 HG3 MET 36 1HG MET 36 -5.206 2.101 3.148 270 HE1 MET 36 3HE MET 36 -4.825 -1.469 1.519 271 HE2 MET 36 1HE MET 36 -5.186 -1.857 3.201 272 HE3 MET 36 2HE MET 36 -3.582 -2.186 2.546 273 H GLY 37 H GLY 37 -10.158 -0.048 3.322 274 HA2 GLY 37 2HA GLY 37 -10.125 -2.455 4.992 275 HA3 GLY 37 1HA GLY 37 -11.498 -1.377 4.747 276 H LYS 38 H LYS 38 -10.991 -1.309 1.850 277 HA LYS 38 HA LYS 38 -12.594 -3.583 1.146 278 HB2 LYS 38 2HB LYS 38 -13.019 -1.390 0.144 279 HB3 LYS 38 1HB LYS 38 -11.407 -1.393 -0.559 280 HG2 LYS 38 2HG LYS 38 -12.059 -3.455 -1.821 281 HG3 LYS 38 1HG LYS 38 -13.710 -3.200 -1.248 282 HD2 LYS 38 2HD LYS 38 -13.779 -1.033 -2.335 283 HD3 LYS 38 1HD LYS 38 -12.098 -1.213 -2.845 284 HE2 LYS 38 2HE LYS 38 -12.790 -3.263 -4.100 285 HE3 LYS 38 1HE LYS 38 -14.461 -2.864 -3.714 286 HZ1 LYS 38 3HZ LYS 38 -14.197 -0.774 -4.882 287 HZ2 LYS 38 1HZ LYS 38 -13.837 -2.072 -5.904 288 HZ3 LYS 38 2HZ LYS 38 -12.588 -1.146 -5.241 289 H VAL 39 H VAL 39 -9.516 -2.313 -0.212 290 HA VAL 39 HA VAL 39 -9.114 -4.904 -1.488 291 HB VAL 39 HB VAL 39 -8.756 -2.709 -2.691 292 HG11 VAL 39 1HG1 VAL 39 -6.650 -1.539 -2.423 293 HG12 VAL 39 2HG1 VAL 39 -6.211 -2.602 -1.088 294 HG13 VAL 39 3HG1 VAL 39 -7.581 -1.502 -0.923 295 HG21 VAL 39 3HG2 VAL 39 -7.952 -4.775 -3.616 296 HG22 VAL 39 1HG2 VAL 39 -6.487 -4.679 -2.641 297 HG23 VAL 39 2HG2 VAL 39 -6.776 -3.494 -3.915 298 H ASN 40 H ASN 40 -9.056 -5.118 1.162 299 HA ASN 40 HA ASN 40 -6.295 -5.734 1.846 300 HB2 ASN 40 2HB ASN 40 -6.492 -3.489 2.611 301 HB3 ASN 40 1HB ASN 40 -8.063 -3.803 3.337 302 HD21 ASN 40 1HD2 ASN 40 -4.660 -4.584 3.532 303 HD22 ASN 40 2HD2 ASN 40 -4.641 -4.929 5.223 304 H ASP 41 H ASP 41 -9.521 -6.561 1.813 305 HA ASP 41 HA ASP 41 -9.659 -8.054 4.241 306 HB2 ASP 41 2HB ASP 41 -11.710 -7.364 3.132 307 HB3 ASP 41 1HB ASP 41 -11.268 -8.254 1.681 308 H THR 42 H THR 42 -8.555 -8.646 0.997 309 HA THR 42 HA THR 42 -7.520 -11.252 1.882 310 HB THR 42 HB THR 42 -8.010 -10.999 -1.009 311 HG1 THR 42 1HG THR 42 -10.358 -11.657 0.261 312 HG21 THR 42 3HG2 THR 42 -7.283 -13.073 0.106 313 HG22 THR 42 1HG2 THR 42 -8.831 -13.275 -0.715 314 HG23 THR 42 2HG2 THR 42 -8.782 -13.082 1.037 315 HA PRO 43 HA PRO 43 -4.166 -8.608 0.080 316 HB2 PRO 43 2HB PRO 43 -2.891 -7.813 2.273 317 HB3 PRO 43 1HB PRO 43 -4.400 -7.051 1.764 318 HG2 PRO 43 2HG PRO 43 -3.904 -8.915 4.014 319 HG3 PRO 43 1HG PRO 43 -5.156 -7.683 3.828 320 HD2 PRO 43 2HD PRO 43 -5.365 -10.502 3.346 321 HD3 PRO 43 1HD PRO 43 -6.620 -9.266 3.144 322 H GLU 44 H GLU 44 -4.292 -11.565 0.855 323 HA GLU 44 HA GLU 44 -2.920 -13.354 0.743 324 HB2 GLU 44 2HB GLU 44 -1.677 -12.075 -0.960 325 HB3 GLU 44 1HB GLU 44 -0.685 -11.371 0.309 326 HG2 GLU 44 2HG GLU 44 0.536 -13.139 -0.734 327 HG3 GLU 44 1HG GLU 44 0.100 -13.641 0.897 328 H GLU 45 H GLU 45 -1.227 -10.779 2.544 329 HA GLU 45 HA GLU 45 -0.087 -12.658 4.394 330 HB2 GLU 45 2HB GLU 45 -0.231 -9.653 4.378 331 HB3 GLU 45 1HB GLU 45 0.446 -10.539 5.731 332 HG2 GLU 45 2HG GLU 45 1.989 -11.612 3.983 333 HG3 GLU 45 1HG GLU 45 1.479 -10.281 2.941 334 H GLU 46 H GLU 46 -1.267 -9.974 6.028 335 HA GLU 46 HA GLU 46 -3.106 -11.622 7.574 336 HB2 GLU 46 2HB GLU 46 -2.071 -8.817 8.040 337 HB3 GLU 46 1HB GLU 46 -3.053 -9.739 9.161 338 HG2 GLU 46 2HG GLU 46 -0.263 -10.407 8.262 339 HG3 GLU 46 1HG GLU 46 -0.731 -9.758 9.831 340 H GLY 47 H GLY 47 -4.178 -8.681 8.234 341 HA2 GLY 47 2HA GLY 47 -5.432 -8.018 5.695 342 HA3 GLY 47 1HA GLY 47 -6.517 -8.405 7.016 343 H MET 48 H MET 48 -6.598 -7.053 8.817 344 HA MET 48 HA MET 48 -6.401 -4.343 8.276 345 HB2 MET 48 2HB MET 48 -7.981 -4.920 9.872 346 HB3 MET 48 1HB MET 48 -6.864 -5.945 10.760 347 HG2 MET 48 2HG MET 48 -6.343 -3.023 10.641 348 HG3 MET 48 1HG MET 48 -7.615 -3.626 11.705 349 HE1 MET 48 3HE MET 48 -4.233 -2.787 13.781 350 HE2 MET 48 1HE MET 48 -5.877 -2.227 13.476 351 HE3 MET 48 2HE MET 48 -4.653 -2.092 12.215 352 HA PRO 49 HA PRO 49 -2.387 -4.081 10.791 353 HB2 PRO 49 2HB PRO 49 -0.800 -6.293 10.998 354 HB3 PRO 49 1HB PRO 49 -1.978 -5.813 12.219 355 HG2 PRO 49 2HG PRO 49 -2.074 -8.018 10.292 356 HG3 PRO 49 1HG PRO 49 -2.958 -7.813 11.809 357 HD2 PRO 49 2HD PRO 49 -3.906 -7.414 9.163 358 HD3 PRO 49 1HD PRO 49 -4.776 -7.119 10.662 359 H LEU 50 H LEU 50 -2.599 -6.256 8.096 360 HA LEU 50 HA LEU 50 -0.223 -5.676 6.743 361 HB2 LEU 50 2HB LEU 50 -1.868 -7.434 6.121 362 HB3 LEU 50 1HB LEU 50 -2.996 -6.194 5.631 363 HG LEU 50 HG LEU 50 -1.881 -7.354 3.748 364 HD11 LEU 50 1HD1 LEU 50 -2.769 -5.127 3.389 365 HD12 LEU 50 2HD1 LEU 50 -1.291 -5.369 2.457 366 HD13 LEU 50 3HD1 LEU 50 -1.249 -4.419 3.945 367 HD21 LEU 50 3HD2 LEU 50 0.605 -5.958 4.679 368 HD22 LEU 50 1HD2 LEU 50 0.424 -6.948 3.232 369 HD23 LEU 50 2HD2 LEU 50 0.294 -7.688 4.828 370 H ARG 51 H ARG 51 -3.391 -4.059 6.750 371 HA ARG 51 HA ARG 51 -2.687 -2.030 4.941 372 HB2 ARG 51 2HB ARG 51 -4.831 -1.408 5.190 373 HB3 ARG 51 1HB ARG 51 -4.993 -2.934 6.001 374 HG2 ARG 51 2HG ARG 51 -4.670 -1.759 8.161 375 HG3 ARG 51 1HG ARG 51 -4.681 -0.230 7.282 376 HD2 ARG 51 2HD ARG 51 -6.928 -0.699 6.469 377 HD3 ARG 51 1HD ARG 51 -6.914 -2.259 7.290 378 HE ARG 51 HE ARG 51 -6.442 -0.063 9.068 379 HH11 ARG 51 1HH1 ARG 51 -8.924 -1.921 7.440 380 HH12 ARG 51 2HH1 ARG 51 -10.157 -1.522 8.594 381 HH21 ARG 51 1HH2 ARG 51 -8.070 0.453 10.596 382 HH22 ARG 51 2HH2 ARG 51 -9.676 -0.171 10.380 383 H ALA 52 H ALA 52 -2.574 -2.287 8.436 384 HA ALA 52 HA ALA 52 -2.012 0.355 9.078 385 HB1 ALA 52 1HB ALA 52 -2.600 -1.356 10.730 386 HB2 ALA 52 2HB ALA 52 -1.129 -0.492 11.176 387 HB3 ALA 52 3HB ALA 52 -1.025 -2.116 10.498 388 H TRP 53 H TRP 53 0.318 -2.300 8.377 389 HA TRP 53 HA TRP 53 2.518 -0.520 8.739 390 HB2 TRP 53 2HB TRP 53 3.968 -2.294 8.209 391 HB3 TRP 53 1HB TRP 53 2.630 -3.002 9.086 392 HD1 TRP 53 HD TRP 53 1.603 -5.098 8.090 393 HE1 TRP 53 1HE TRP 53 1.838 -6.373 5.866 394 HE3 TRP 53 3HE TRP 53 4.325 -1.680 5.443 395 HZ2 TRP 53 2HZ TRP 53 3.008 -5.994 3.346 396 HZ3 TRP 53 3HZ TRP 53 4.979 -2.223 3.137 397 HH2 TRP 53 HH TRP 53 4.324 -4.334 2.104 398 H VAL 54 H VAL 54 0.723 -1.670 5.965 399 HA VAL 54 HA VAL 54 2.368 -0.639 3.944 400 HB VAL 54 HB VAL 54 -0.511 -1.359 4.154 401 HG11 VAL 54 1HG1 VAL 54 -0.494 0.654 2.726 402 HG12 VAL 54 2HG1 VAL 54 -0.920 -0.796 1.817 403 HG13 VAL 54 3HG1 VAL 54 0.703 -0.116 1.682 404 HG21 VAL 54 3HG2 VAL 54 1.123 -3.116 3.839 405 HG22 VAL 54 1HG2 VAL 54 1.729 -2.313 2.390 406 HG23 VAL 54 2HG2 VAL 54 0.092 -2.970 2.413 407 H ILE 55 H ILE 55 -0.486 0.800 5.522 408 HA ILE 55 HA ILE 55 -0.396 3.274 4.220 409 HB ILE 55 HB ILE 55 -1.487 2.513 6.930 410 HG12 ILE 55 2HG1 ILE 55 -2.853 3.059 4.290 411 HG13 ILE 55 1HG1 ILE 55 -2.533 1.460 4.956 412 HG21 ILE 55 1HG2 ILE 55 -1.005 4.888 6.946 413 HG22 ILE 55 2HG2 ILE 55 -2.743 4.603 6.889 414 HG23 ILE 55 3HG2 ILE 55 -1.883 5.095 5.429 415 HD11 ILE 55 3HD1 ILE 55 -4.321 3.561 6.155 416 HD12 ILE 55 1HD1 ILE 55 -3.995 1.970 6.845 417 HD13 ILE 55 2HD1 ILE 55 -4.833 2.108 5.299 418 H LYS 56 H LYS 56 1.144 2.172 7.220 419 HA LYS 56 HA LYS 56 2.254 4.641 7.976 420 HB2 LYS 56 2HB LYS 56 2.165 2.696 9.483 421 HB3 LYS 56 1HB LYS 56 3.343 1.864 8.474 422 HG2 LYS 56 2HG LYS 56 4.933 3.741 8.939 423 HG3 LYS 56 1HG LYS 56 3.766 4.344 10.115 424 HD2 LYS 56 2HD LYS 56 3.923 2.250 11.356 425 HD3 LYS 56 1HD LYS 56 5.071 1.626 10.167 426 HE2 LYS 56 2HE LYS 56 6.583 3.510 10.710 427 HE3 LYS 56 1HE LYS 56 5.459 4.007 11.973 428 HZ1 LYS 56 3HZ LYS 56 6.920 1.427 11.853 429 HZ2 LYS 56 1HZ LYS 56 5.803 1.861 13.048 430 HZ3 LYS 56 2HZ LYS 56 7.250 2.717 12.894 431 H CYS 57 H CYS 57 3.643 1.964 6.080 432 HA CYS 57 HA CYS 57 6.137 3.150 5.617 433 HB2 CYS 57 2HB CYS 57 4.624 1.163 3.913 434 HB3 CYS 57 1HB CYS 57 6.325 1.568 3.713 435 HG CYS 57 HG CYS 57 4.865 -0.097 6.305 436 H ALA 58 H ALA 58 3.150 3.235 3.690 437 HA ALA 58 HA ALA 58 4.170 4.766 1.556 438 HB1 ALA 58 1HB ALA 58 1.840 5.234 1.013 439 HB2 ALA 58 2HB ALA 58 1.343 4.648 2.600 440 HB3 ALA 58 3HB ALA 58 2.058 3.535 1.435 441 H HIS 59 H HIS 59 2.703 5.671 4.621 442 HA HIS 59 HA HIS 59 2.434 8.422 4.246 443 HB2 HIS 59 2HB HIS 59 1.563 7.051 6.174 444 HB3 HIS 59 1HB HIS 59 3.198 7.008 6.817 445 HD1 HIS 59 1HD HIS 59 1.636 8.141 8.840 446 HD2 HIS 59 2HD HIS 59 2.680 10.494 5.586 447 HE1 HIS 59 1HE HIS 59 1.227 10.510 9.560 448 HE2 HIS 59 2HE HIS 59 2.164 11.905 7.685 449 H GLU 60 H GLU 60 5.102 6.688 5.849 450 HA GLU 60 HA GLU 60 6.777 8.940 6.071 451 HB2 GLU 60 2HB GLU 60 7.422 5.990 6.082 452 HB3 GLU 60 1HB GLU 60 8.588 7.248 6.465 453 HG2 GLU 60 2HG GLU 60 7.131 7.982 8.316 454 HG3 GLU 60 1HG GLU 60 6.053 6.635 7.962 455 H ALA 61 H ALA 61 6.530 6.401 3.627 456 HA ALA 61 HA ALA 61 8.818 7.018 2.146 457 HB1 ALA 61 1HB ALA 61 7.766 5.819 0.305 458 HB2 ALA 61 2HB ALA 61 6.209 5.902 1.126 459 HB3 ALA 61 3HB ALA 61 7.526 4.963 1.828 460 H LEU 62 H LEU 62 5.599 8.443 2.097 461 HA LEU 62 HA LEU 62 6.115 9.988 -0.260 462 HB2 LEU 62 2HB LEU 62 3.832 9.346 0.435 463 HB3 LEU 62 1HB LEU 62 3.985 10.391 1.837 464 HG LEU 62 HG LEU 62 4.518 12.212 -0.010 465 HD11 LEU 62 1HD1 LEU 62 2.740 10.285 -1.488 466 HD12 LEU 62 2HD1 LEU 62 4.440 10.595 -1.858 467 HD13 LEU 62 3HD1 LEU 62 3.250 11.884 -2.034 468 HD21 LEU 62 3HD2 LEU 62 1.705 11.288 0.485 469 HD22 LEU 62 1HD2 LEU 62 2.239 12.915 0.076 470 HD23 LEU 62 2HD2 LEU 62 2.665 12.213 1.639 471 H GLU 63 H GLU 63 6.057 10.696 3.242 472 HA GLU 63 HA GLU 63 6.443 13.484 2.834 473 HB2 GLU 63 2HB GLU 63 6.765 11.760 5.285 474 HB3 GLU 63 1HB GLU 63 7.010 13.500 5.300 475 HG2 GLU 63 2HG GLU 63 4.655 13.660 4.333 476 HG3 GLU 63 1HG GLU 63 4.485 11.970 4.809 477 H LYS 64 H LYS 64 8.684 10.820 3.120 478 HA LYS 64 HA LYS 64 10.972 12.401 3.726 479 HB2 LYS 64 2HB LYS 64 10.764 9.686 2.409 480 HB3 LYS 64 1HB LYS 64 12.268 10.422 2.944 481 HG2 LYS 64 2HG LYS 64 9.951 9.803 4.764 482 HG3 LYS 64 1HG LYS 64 11.328 8.734 4.510 483 HD2 LYS 64 2HD LYS 64 11.854 11.553 5.310 484 HD3 LYS 64 1HD LYS 64 11.242 10.439 6.529 485 HE2 LYS 64 2HE LYS 64 13.674 10.523 6.569 486 HE3 LYS 64 1HE LYS 64 13.106 8.926 6.094 487 HZ1 LYS 64 3HZ LYS 64 14.980 9.723 4.756 488 HZ2 LYS 64 1HZ LYS 64 14.040 11.011 4.200 489 HZ3 LYS 64 2HZ LYS 64 13.612 9.418 3.815 490 H ASN 65 H ASN 65 9.275 11.620 0.816 491 HA ASN 65 HA ASN 65 10.861 13.544 -0.659 492 HB2 ASN 65 2HB ASN 65 11.008 11.888 -2.621 493 HB3 ASN 65 1HB ASN 65 12.142 11.675 -1.295 494 HD21 ASN 65 1HD2 ASN 65 9.188 10.476 -2.730 495 HD22 ASN 65 2HD2 ASN 65 9.279 8.880 -2.077 496 HA PRO 66 HA PRO 66 6.274 13.459 -1.235 497 HB2 PRO 66 2HB PRO 66 5.749 16.024 -0.692 498 HB3 PRO 66 1HB PRO 66 6.132 14.876 0.593 499 HG2 PRO 66 2HG PRO 66 7.928 16.870 -0.749 500 HG3 PRO 66 1HG PRO 66 7.734 16.534 0.982 501 HD2 PRO 66 2HD PRO 66 9.755 15.495 -0.524 502 HD3 PRO 66 1HD PRO 66 9.081 14.673 0.896 503 H LYS 67 H LYS 67 8.099 13.546 -3.394 504 HA LYS 67 HA LYS 67 6.653 15.327 -5.233 505 HB2 LYS 67 2HB LYS 67 9.639 14.820 -5.302 506 HB3 LYS 67 1HB LYS 67 8.731 15.796 -6.445 507 HG2 LYS 67 2HG LYS 67 9.046 16.410 -3.514 508 HG3 LYS 67 1HG LYS 67 9.986 17.142 -4.815 509 HD2 LYS 67 2HD LYS 67 7.942 18.071 -5.775 510 HD3 LYS 67 1HD LYS 67 6.991 17.320 -4.493 511 HE2 LYS 67 2HE LYS 67 7.354 19.655 -3.982 512 HE3 LYS 67 1HE LYS 67 8.228 18.646 -2.830 513 HZ1 LYS 67 3HZ LYS 67 9.536 20.546 -3.634 514 HZ2 LYS 67 1HZ LYS 67 9.453 19.936 -5.207 515 HZ3 LYS 67 2HZ LYS 67 10.264 19.069 -4.005 516 H ILE 68 H ILE 68 6.464 12.476 -4.507 517 HA ILE 68 HA ILE 68 7.387 11.189 -6.975 518 HB ILE 68 HB ILE 68 6.857 9.045 -5.784 519 HG12 ILE 68 2HG1 ILE 68 6.737 10.808 -3.321 520 HG13 ILE 68 1HG1 ILE 68 5.328 10.089 -4.092 521 HG21 ILE 68 1HG2 ILE 68 8.910 9.140 -4.399 522 HG22 ILE 68 2HG2 ILE 68 8.947 10.887 -4.658 523 HG23 ILE 68 3HG2 ILE 68 9.110 9.786 -6.026 524 HD11 ILE 68 3HD1 ILE 68 6.225 7.864 -3.644 525 HD12 ILE 68 1HD1 ILE 68 6.026 8.801 -2.164 526 HD13 ILE 68 2HD1 ILE 68 7.630 8.593 -2.867 527 H ARG 69 H ARG 69 5.805 9.061 -7.145 528 HA ARG 69 HA ARG 69 3.112 10.182 -7.564 529 HB2 ARG 69 2HB ARG 69 4.253 10.191 -9.702 530 HB3 ARG 69 1HB ARG 69 4.745 8.519 -9.486 531 HG2 ARG 69 2HG ARG 69 2.868 8.830 -11.075 532 HG3 ARG 69 1HG ARG 69 2.501 7.746 -9.732 533 HD2 ARG 69 2HD ARG 69 0.663 9.321 -10.268 534 HD3 ARG 69 1HD ARG 69 1.253 9.463 -8.614 535 HE ARG 69 HE ARG 69 2.570 11.297 -10.348 536 HH11 ARG 69 1HH1 ARG 69 -0.393 10.749 -8.572 537 HH12 ARG 69 2HH1 ARG 69 -0.801 12.434 -8.484 538 HH21 ARG 69 1HH2 ARG 69 2.063 13.527 -10.177 539 HH22 ARG 69 2HH2 ARG 69 0.594 14.009 -9.375 540 H GLU 70 H GLU 70 5.074 7.249 -7.291 541 HA GLU 70 HA GLU 70 3.143 6.016 -5.596 542 HB2 GLU 70 2HB GLU 70 2.633 4.105 -7.062 543 HB3 GLU 70 1HB GLU 70 2.033 5.629 -7.718 544 HG2 GLU 70 2HG GLU 70 3.966 5.719 -9.228 545 HG3 GLU 70 1HG GLU 70 4.534 4.180 -8.584 546 H VAL 71 H VAL 71 3.894 4.040 -4.700 547 HA VAL 71 HA VAL 71 6.752 3.523 -5.178 548 HB VAL 71 HB VAL 71 6.997 2.962 -2.778 549 HG11 VAL 71 1HG1 VAL 71 7.685 5.148 -3.563 550 HG12 VAL 71 2HG1 VAL 71 7.011 5.271 -1.938 551 HG13 VAL 71 3HG1 VAL 71 6.052 5.770 -3.332 552 HG21 VAL 71 3HG2 VAL 71 4.215 4.102 -2.535 553 HG22 VAL 71 1HG2 VAL 71 5.284 3.741 -1.181 554 HG23 VAL 71 2HG2 VAL 71 4.706 2.439 -2.218 555 H TYR 72 H TYR 72 7.436 1.347 -4.627 556 HA TYR 72 HA TYR 72 5.261 -0.560 -5.155 557 HB2 TYR 72 2HB TYR 72 8.205 -0.834 -5.810 558 HB3 TYR 72 1HB TYR 72 6.923 -1.953 -6.269 559 HD1 TYR 72 1HD TYR 72 5.300 -1.335 -8.001 560 HD2 TYR 72 2HD TYR 72 8.540 1.235 -7.005 561 HE1 TYR 72 1HE TYR 72 4.921 -0.063 -10.066 562 HE2 TYR 72 2HE TYR 72 8.167 2.513 -9.071 563 HH TYR 72 HH TYR 72 5.357 2.193 -10.949 564 H LEU 73 H LEU 73 4.752 -1.822 -3.515 565 HA LEU 73 HA LEU 73 6.723 -2.095 -1.346 566 HB2 LEU 73 2HB LEU 73 3.798 -1.771 -1.420 567 HB3 LEU 73 1HB LEU 73 4.380 -2.944 -0.257 568 HG LEU 73 HG LEU 73 5.134 -0.024 -0.383 569 HD11 LEU 73 1HD1 LEU 73 2.889 -0.472 0.492 570 HD12 LEU 73 2HD1 LEU 73 3.974 0.111 1.753 571 HD13 LEU 73 3HD1 LEU 73 3.571 -1.605 1.660 572 HD21 LEU 73 3HD2 LEU 73 7.067 -1.189 0.345 573 HD22 LEU 73 1HD2 LEU 73 6.115 -2.272 1.360 574 HD23 LEU 73 2HD2 LEU 73 6.282 -0.572 1.796 575 H LYS 74 H LYS 74 7.191 -4.031 -0.455 576 HA LYS 74 HA LYS 74 6.081 -6.409 -1.769 577 HB2 LYS 74 2HB LYS 74 8.432 -5.871 -2.461 578 HB3 LYS 74 1HB LYS 74 8.923 -6.056 -0.786 579 HG2 LYS 74 2HG LYS 74 7.576 -8.283 -2.277 580 HG3 LYS 74 1HG LYS 74 9.317 -8.013 -2.381 581 HD2 LYS 74 2HD LYS 74 9.455 -8.193 0.075 582 HD3 LYS 74 1HD LYS 74 7.726 -8.532 0.128 583 HE2 LYS 74 2HE LYS 74 8.046 -10.543 -1.160 584 HE3 LYS 74 1HE LYS 74 9.769 -10.198 -1.316 585 HZ1 LYS 74 3HZ LYS 74 9.358 -11.795 0.431 586 HZ2 LYS 74 1HZ LYS 74 8.326 -10.712 1.226 587 HZ3 LYS 74 2HZ LYS 74 9.977 -10.365 1.084 588 HA PRO 75 HA PRO 75 4.511 -7.191 2.371 589 HB2 PRO 75 2HB PRO 75 4.519 -9.904 1.110 590 HB3 PRO 75 1HB PRO 75 3.261 -9.114 2.069 591 HG2 PRO 75 2HG PRO 75 3.060 -9.229 -0.573 592 HG3 PRO 75 1HG PRO 75 2.579 -7.771 0.307 593 HD2 PRO 75 2HD PRO 75 4.982 -8.254 -1.370 594 HD3 PRO 75 1HD PRO 75 4.087 -6.756 -1.081 595 H ARG 76 H ARG 76 5.367 -7.856 4.191 596 HA ARG 76 HA ARG 76 8.099 -8.320 4.464 597 HB2 ARG 76 2HB ARG 76 5.992 -9.098 6.471 598 HB3 ARG 76 1HB ARG 76 7.651 -8.624 6.791 599 HG2 ARG 76 2HG ARG 76 7.232 -6.390 6.489 600 HG3 ARG 76 1HG ARG 76 5.843 -6.682 5.440 601 HD2 ARG 76 2HD ARG 76 5.942 -7.200 8.411 602 HD3 ARG 76 1HD ARG 76 5.171 -5.810 7.638 603 HE ARG 76 HE ARG 76 3.990 -7.944 6.436 604 HH11 ARG 76 1HH1 ARG 76 4.443 -7.031 9.784 605 HH12 ARG 76 2HH1 ARG 76 2.964 -7.768 10.310 606 HH21 ARG 76 1HH2 ARG 76 2.058 -8.891 7.106 607 HH22 ARG 76 2HH2 ARG 76 1.609 -8.840 8.791 608 H ALA 77 H ALA 77 5.406 -10.510 4.175 609 HA ALA 77 HA ALA 77 6.616 -12.882 5.038 610 HB1 ALA 77 1HB ALA 77 4.501 -12.526 2.919 611 HB2 ALA 77 2HB ALA 77 4.210 -12.654 4.653 612 HB3 ALA 77 3HB ALA 77 4.880 -14.025 3.769 613 H VAL 78 H VAL 78 8.661 -13.153 4.315 614 HA VAL 78 HA VAL 78 9.548 -12.961 1.656 615 HB VAL 78 HB VAL 78 10.619 -14.754 3.843 616 HG11 VAL 78 1HG1 VAL 78 12.734 -14.656 2.607 617 HG12 VAL 78 2HG1 VAL 78 11.937 -13.745 1.327 618 HG13 VAL 78 3HG1 VAL 78 11.454 -15.408 1.658 619 HG21 VAL 78 3HG2 VAL 78 12.217 -12.938 4.269 620 HG22 VAL 78 1HG2 VAL 78 10.552 -12.435 4.557 621 HG23 VAL 78 2HG2 VAL 78 11.379 -11.938 3.082 622 H LYS 79 H LYS 79 7.846 -15.430 3.384 623 HA LYS 79 HA LYS 79 8.383 -17.648 1.765 624 HB2 LYS 79 2HB LYS 79 7.382 -17.836 3.976 625 HB3 LYS 79 1HB LYS 79 5.938 -17.003 3.417 626 HG2 LYS 79 2HG LYS 79 5.397 -18.841 1.947 627 HG3 LYS 79 1HG LYS 79 6.900 -19.661 2.378 628 HD2 LYS 79 2HD LYS 79 6.157 -19.891 4.668 629 HD3 LYS 79 1HD LYS 79 4.694 -18.972 4.315 630 HE2 LYS 79 2HE LYS 79 4.284 -21.393 4.381 631 HE3 LYS 79 1HE LYS 79 3.934 -20.697 2.801 632 HZ1 LYS 79 3HZ LYS 79 6.436 -22.129 3.512 633 HZ2 LYS 79 1HZ LYS 79 6.035 -21.515 1.986 634 HZ3 LYS 79 2HZ LYS 79 5.149 -22.794 2.645 635 H ASN 80 H ASN 80 6.202 -14.951 1.283 636 HA ASN 80 HA ASN 80 4.533 -16.278 -0.623 637 HB2 ASN 80 2HB ASN 80 4.952 -13.355 -0.046 638 HB3 ASN 80 1HB ASN 80 3.799 -13.956 -1.229 639 HD21 ASN 80 1HD2 ASN 80 3.214 -12.376 1.019 640 HD22 ASN 80 2HD2 ASN 80 2.183 -13.302 2.042 641 H SER 81 H SER 81 7.326 -14.147 -0.803 642 HA SER 81 HA SER 81 8.846 -13.701 -2.403 643 HB2 SER 81 2HB SER 81 7.715 -16.146 -3.776 644 HB3 SER 81 1HB SER 81 9.242 -15.357 -4.174 645 HG SER 81 HG SER 81 8.554 -16.923 -1.958 646 H SER 82 H SER 82 6.124 -14.894 -4.397 647 HA SER 82 HA SER 82 6.563 -12.650 -6.203 648 HB2 SER 82 2HB SER 82 4.717 -15.020 -6.541 649 HB3 SER 82 1HB SER 82 5.259 -13.905 -7.795 650 HG SER 82 HG SER 82 6.426 -15.905 -7.756 651 H VAL 83 H VAL 83 5.582 -11.460 -4.143 652 HA VAL 83 HA VAL 83 2.855 -10.798 -4.955 653 HB VAL 83 HB VAL 83 2.557 -12.288 -3.041 654 HG11 VAL 83 1HG1 VAL 83 3.388 -11.648 -0.809 655 HG12 VAL 83 2HG1 VAL 83 4.318 -10.348 -1.559 656 HG13 VAL 83 3HG1 VAL 83 4.685 -12.025 -1.945 657 HG21 VAL 83 3HG2 VAL 83 1.264 -10.781 -1.581 658 HG22 VAL 83 1HG2 VAL 83 0.969 -10.476 -3.292 659 HG23 VAL 83 2HG2 VAL 83 2.015 -9.396 -2.375 660 H GLN 84 H GLN 84 2.454 -8.634 -4.942 661 HA GLN 84 HA GLN 84 4.331 -6.864 -3.553 662 HB2 GLN 84 2HB GLN 84 3.710 -6.750 -6.503 663 HB3 GLN 84 1HB GLN 84 4.429 -5.418 -5.615 664 HG2 GLN 84 2HG GLN 84 6.347 -6.825 -5.058 665 HG3 GLN 84 1HG GLN 84 5.623 -8.157 -5.960 666 HE21 GLN 84 1HE2 GLN 84 5.516 -8.038 -8.200 667 HE22 GLN 84 2HE2 GLN 84 6.487 -6.933 -9.108 668 H PHE 85 H PHE 85 3.590 -4.700 -3.340 669 HA PHE 85 HA PHE 85 0.724 -4.301 -3.881 670 HB2 PHE 85 2HB PHE 85 2.378 -3.259 -1.573 671 HB3 PHE 85 1HB PHE 85 0.778 -2.652 -1.979 672 HD1 PHE 85 2HD PHE 85 -1.051 -4.558 -2.212 673 HD2 PHE 85 1HD PHE 85 2.532 -4.855 0.058 674 HE1 PHE 85 2HE PHE 85 -2.078 -6.317 -0.833 675 HE2 PHE 85 1HE PHE 85 1.510 -6.609 1.447 676 HZ PHE 85 HZ PHE 85 -0.796 -7.345 1.002 677 H HIS 86 H HIS 86 0.348 -2.782 -5.313 678 HA HIS 86 HA HIS 86 2.433 -0.840 -5.976 679 HB2 HIS 86 2HB HIS 86 -0.020 -1.866 -7.298 680 HB3 HIS 86 1HB HIS 86 0.422 -0.202 -7.649 681 HD1 HIS 86 1HD HIS 86 1.570 -3.750 -8.154 682 HD2 HIS 86 2HD HIS 86 2.626 0.116 -9.294 683 HE1 HIS 86 1HE HIS 86 3.289 -4.016 -9.970 684 HE2 HIS 86 2HE HIS 86 3.757 -1.679 -10.776 685 H VAL 87 H VAL 87 2.453 0.762 -4.485 686 HA VAL 87 HA VAL 87 -0.102 1.799 -3.512 687 HB VAL 87 HB VAL 87 2.717 2.431 -2.623 688 HG11 VAL 87 1HG1 VAL 87 1.211 4.305 -2.244 689 HG12 VAL 87 2HG1 VAL 87 1.664 3.545 -0.719 690 HG13 VAL 87 3HG1 VAL 87 0.076 3.236 -1.421 691 HG21 VAL 87 3HG2 VAL 87 0.588 0.724 -1.347 692 HG22 VAL 87 1HG2 VAL 87 2.141 1.134 -0.621 693 HG23 VAL 87 2HG2 VAL 87 2.083 0.150 -2.082 694 H ILE 88 H ILE 88 -0.986 3.378 -4.618 695 HA ILE 88 HA ILE 88 0.763 5.121 -6.220 696 HB ILE 88 HB ILE 88 -2.115 4.339 -6.697 697 HG12 ILE 88 2HG1 ILE 88 0.373 3.602 -8.251 698 HG13 ILE 88 1HG1 ILE 88 -0.410 2.546 -7.079 699 HG21 ILE 88 1HG2 ILE 88 -1.668 6.592 -7.487 700 HG22 ILE 88 2HG2 ILE 88 -1.866 5.487 -8.847 701 HG23 ILE 88 3HG2 ILE 88 -0.253 6.018 -8.370 702 HD11 ILE 88 3HD1 ILE 88 -1.023 1.948 -9.341 703 HD12 ILE 88 1HD1 ILE 88 -1.635 3.577 -9.625 704 HD13 ILE 88 2HD1 ILE 88 -2.428 2.528 -8.449 705 H PHE 89 H PHE 89 0.555 7.295 -6.082 706 HA PHE 89 HA PHE 89 -1.158 8.251 -3.907 707 HB2 PHE 89 2HB PHE 89 1.362 9.364 -5.125 708 HB3 PHE 89 1HB PHE 89 0.374 10.240 -3.955 709 HD1 PHE 89 2HD PHE 89 -0.177 9.031 -1.776 710 HD2 PHE 89 1HD PHE 89 2.988 7.888 -4.375 711 HE1 PHE 89 2HE PHE 89 0.868 7.778 0.057 712 HE2 PHE 89 1HE PHE 89 4.034 6.621 -2.546 713 HZ PHE 89 HZ PHE 89 2.956 6.573 -0.339 714 H ASP 90 H ASP 90 -3.027 9.036 -4.616 715 HA ASP 90 HA ASP 90 -3.148 10.447 -7.186 716 HB2 ASP 90 2HB ASP 90 -5.384 9.483 -5.380 717 HB3 ASP 90 1HB ASP 90 -5.601 10.246 -6.948 718 H GLU 91 H GLU 91 -3.458 12.634 -7.280 719 HA GLU 91 HA GLU 91 -3.671 14.011 -4.712 720 HB2 GLU 91 2HB GLU 91 -3.072 16.055 -5.934 721 HB3 GLU 91 1HB GLU 91 -1.878 14.787 -6.144 722 HG2 GLU 91 2HG GLU 91 -4.018 15.133 -8.182 723 HG3 GLU 91 1HG GLU 91 -2.654 16.248 -8.155 724 H GLU 92 H GLU 92 -5.548 14.673 -4.001 725 HA GLU 92 HA GLU 92 -7.521 15.667 -5.938 726 HB2 GLU 92 2HB GLU 92 -8.206 14.178 -3.398 727 HB3 GLU 92 1HB GLU 92 -9.325 14.731 -4.632 728 HG2 GLU 92 2HG GLU 92 -8.335 13.152 -6.220 729 HG3 GLU 92 1HG GLU 92 -7.237 12.590 -4.960 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 4.824 -22.618 -24.206 2 H2 GLY 1 2HT GLY 1 5.688 -21.312 -24.842 3 H3 GLY 1 3HT GLY 1 4.784 -21.122 -23.428 4 HA2 GLY 1 1HA GLY 1 7.144 -22.888 -23.708 5 HA3 GLY 1 2HA GLY 1 7.166 -21.293 -22.974 6 H SER 2 H SER 2 8.077 -22.961 -21.290 7 HA SER 2 HA SER 2 6.185 -24.473 -19.803 8 HB2 SER 2 2HB SER 2 8.850 -23.399 -18.855 9 HB3 SER 2 1HB SER 2 7.975 -24.792 -18.218 10 HG SER 2 HG SER 2 8.189 -25.467 -20.621 11 H ALA 3 H ALA 3 7.387 -21.194 -19.647 12 HA ALA 3 HA ALA 3 5.705 -20.692 -17.290 13 HB1 ALA 3 1HB ALA 3 7.029 -18.663 -16.963 14 HB2 ALA 3 2HB ALA 3 7.955 -19.027 -18.419 15 HB3 ALA 3 3HB ALA 3 8.061 -20.094 -17.019 16 H MET 4 H MET 4 3.784 -20.664 -18.597 17 HA MET 4 HA MET 4 3.319 -18.953 -20.757 18 HB2 MET 4 2HB MET 4 1.304 -19.720 -18.630 19 HB3 MET 4 1HB MET 4 0.947 -19.184 -20.263 20 HG2 MET 4 2HG MET 4 0.628 -21.493 -20.296 21 HG3 MET 4 1HG MET 4 2.201 -21.245 -21.052 22 HE1 MET 4 3HE MET 4 1.249 -24.079 -20.021 23 HE2 MET 4 1HE MET 4 2.700 -24.650 -19.200 24 HE3 MET 4 2HE MET 4 2.835 -23.792 -20.735 25 H GLY 5 H GLY 5 2.882 -18.450 -17.294 26 HA2 GLY 5 2HA GLY 5 3.530 -15.682 -17.490 27 HA3 GLY 5 1HA GLY 5 1.808 -15.933 -17.222 28 H HIS 6 H HIS 6 2.845 -14.595 -15.294 29 HA HIS 6 HA HIS 6 3.995 -16.244 -13.233 30 HB2 HIS 6 2HB HIS 6 2.893 -13.426 -13.133 31 HB3 HIS 6 1HB HIS 6 3.755 -14.222 -11.820 32 HD1 HIS 6 1HD HIS 6 4.322 -11.924 -14.463 33 HD2 HIS 6 2HD HIS 6 6.490 -15.077 -12.836 34 HE1 HIS 6 1HE HIS 6 6.708 -11.522 -15.136 35 HE2 HIS 6 2HE HIS 6 7.967 -13.533 -14.294 36 H MET 7 H MET 7 2.553 -17.874 -12.836 37 HA MET 7 HA MET 7 -0.225 -17.534 -12.566 38 HB2 MET 7 2HB MET 7 1.476 -19.773 -11.458 39 HB3 MET 7 1HB MET 7 -0.266 -19.802 -11.652 40 HG2 MET 7 2HG MET 7 1.728 -19.562 -13.890 41 HG3 MET 7 1HG MET 7 0.920 -21.047 -13.397 42 HE1 MET 7 3HE MET 7 -0.883 -20.459 -16.742 43 HE2 MET 7 1HE MET 7 -0.073 -21.617 -15.687 44 HE3 MET 7 2HE MET 7 0.829 -20.264 -16.368 45 HA PRO 8 HA PRO 8 0.217 -17.409 -7.889 46 HB2 PRO 8 2HB PRO 8 2.492 -17.859 -6.596 47 HB3 PRO 8 1HB PRO 8 1.636 -19.187 -7.388 48 HG2 PRO 8 2HG PRO 8 4.099 -17.750 -8.234 49 HG3 PRO 8 1HG PRO 8 3.645 -19.444 -8.475 50 HD2 PRO 8 2HD PRO 8 3.381 -17.320 -10.336 51 HD3 PRO 8 1HD PRO 8 2.754 -18.968 -10.495 52 H ALA 9 H ALA 9 0.915 -15.188 -9.640 53 HA ALA 9 HA ALA 9 2.434 -13.456 -7.811 54 HB1 ALA 9 1HB ALA 9 2.715 -11.960 -9.750 55 HB2 ALA 9 2HB ALA 9 1.860 -13.134 -10.753 56 HB3 ALA 9 3HB ALA 9 3.404 -13.560 -10.013 57 H VAL 10 H VAL 10 1.503 -11.713 -6.921 58 HA VAL 10 HA VAL 10 -1.196 -10.979 -7.834 59 HB VAL 10 HB VAL 10 -0.308 -11.142 -4.947 60 HG11 VAL 10 1HG1 VAL 10 -2.612 -10.542 -4.406 61 HG12 VAL 10 2HG1 VAL 10 -2.981 -10.386 -6.123 62 HG13 VAL 10 3HG1 VAL 10 -1.835 -9.282 -5.364 63 HG21 VAL 10 3HG2 VAL 10 -1.963 -12.924 -4.722 64 HG22 VAL 10 1HG2 VAL 10 -0.724 -13.352 -5.901 65 HG23 VAL 10 2HG2 VAL 10 -2.314 -12.821 -6.446 66 H ASP 11 H ASP 11 -1.113 -8.966 -8.561 67 HA ASP 11 HA ASP 11 0.550 -7.011 -7.115 68 HB2 ASP 11 2HB ASP 11 -0.621 -6.940 -9.909 69 HB3 ASP 11 1HB ASP 11 0.125 -5.546 -9.137 70 H VAL 12 H VAL 12 -0.527 -5.793 -5.703 71 HA VAL 12 HA VAL 12 -3.425 -5.493 -6.097 72 HB VAL 12 HB VAL 12 -2.310 -6.523 -3.931 73 HG11 VAL 12 1HG1 VAL 12 -2.308 -4.729 -2.133 74 HG12 VAL 12 2HG1 VAL 12 -2.116 -3.575 -3.455 75 HG13 VAL 12 3HG1 VAL 12 -0.909 -4.831 -3.191 76 HG21 VAL 12 3HG2 VAL 12 -4.282 -5.848 -2.652 77 HG22 VAL 12 1HG2 VAL 12 -4.691 -6.312 -4.304 78 HG23 VAL 12 2HG2 VAL 12 -4.628 -4.606 -3.856 79 H GLU 13 H GLU 13 -4.396 -3.478 -6.059 80 HA GLU 13 HA GLU 13 -2.525 -1.254 -6.457 81 HB2 GLU 13 2HB GLU 13 -5.411 -1.523 -7.311 82 HB3 GLU 13 1HB GLU 13 -4.367 -0.151 -7.652 83 HG2 GLU 13 2HG GLU 13 -2.918 -1.579 -8.990 84 HG3 GLU 13 1HG GLU 13 -3.952 -2.963 -8.637 85 H ILE 14 H ILE 14 -2.266 -0.081 -4.699 86 HA ILE 14 HA ILE 14 -4.639 0.530 -3.067 87 HB ILE 14 HB ILE 14 -1.716 0.743 -2.300 88 HG12 ILE 14 2HG1 ILE 14 -3.832 -1.284 -1.531 89 HG13 ILE 14 1HG1 ILE 14 -2.378 -1.590 -2.473 90 HG21 ILE 14 1HG2 ILE 14 -3.088 2.401 -1.178 91 HG22 ILE 14 2HG2 ILE 14 -2.553 1.166 -0.038 92 HG23 ILE 14 3HG2 ILE 14 -4.206 1.142 -0.651 93 HD11 ILE 14 3HD1 ILE 14 -2.522 -0.855 0.442 94 HD12 ILE 14 1HD1 ILE 14 -1.024 -1.024 -0.479 95 HD13 ILE 14 2HD1 ILE 14 -2.078 -2.417 -0.243 96 H HIS 15 H HIS 15 -5.118 2.724 -2.683 97 HA HIS 15 HA HIS 15 -3.408 4.638 -4.116 98 HB2 HIS 15 2HB HIS 15 -6.429 4.604 -4.054 99 HB3 HIS 15 1HB HIS 15 -5.457 5.917 -4.712 100 HD1 HIS 15 1HD HIS 15 -6.953 2.704 -5.575 101 HD2 HIS 15 2HD HIS 15 -3.904 5.120 -7.039 102 HE1 HIS 15 1HE HIS 15 -6.476 1.859 -7.893 103 HE2 HIS 15 2HE HIS 15 -4.810 3.496 -8.835 104 H PHE 16 H PHE 16 -2.559 6.034 -2.811 105 HA PHE 16 HA PHE 16 -4.153 7.000 -0.530 106 HB2 PHE 16 2HB PHE 16 -1.144 6.800 -0.797 107 HB3 PHE 16 1HB PHE 16 -1.978 7.579 0.533 108 HD1 PHE 16 1HD PHE 16 -4.211 5.499 0.780 109 HD2 PHE 16 2HD PHE 16 0.013 5.188 0.456 110 HE1 PHE 16 1HE PHE 16 -4.275 3.382 2.020 111 HE2 PHE 16 2HE PHE 16 -0.044 3.062 1.686 112 HZ PHE 16 HZ PHE 16 -2.191 2.162 2.470 113 HA PRO 17 HA PRO 17 -3.987 10.682 -3.175 114 HB2 PRO 17 2HB PRO 17 -5.512 11.779 -0.892 115 HB3 PRO 17 1HB PRO 17 -5.895 11.792 -2.612 116 HG2 PRO 17 2HG PRO 17 -7.184 10.199 -0.899 117 HG3 PRO 17 1HG PRO 17 -6.843 9.695 -2.562 118 HD2 PRO 17 2HD PRO 17 -5.513 8.886 -0.019 119 HD3 PRO 17 1HD PRO 17 -5.826 7.933 -1.484 120 H LEU 18 H LEU 18 -2.329 12.057 -3.132 121 HA LEU 18 HA LEU 18 -0.315 11.867 -1.322 122 HB2 LEU 18 2HB LEU 18 -0.058 14.458 -2.300 123 HB3 LEU 18 1HB LEU 18 0.720 13.013 -2.889 124 HG LEU 18 HG LEU 18 -1.989 13.758 -3.926 125 HD11 LEU 18 1HD1 LEU 18 -0.949 15.110 -5.653 126 HD12 LEU 18 2HD1 LEU 18 0.632 14.883 -4.905 127 HD13 LEU 18 3HD1 LEU 18 -0.620 15.794 -4.062 128 HD21 LEU 18 3HD2 LEU 18 -0.990 11.591 -4.526 129 HD22 LEU 18 1HD2 LEU 18 0.430 12.430 -5.150 130 HD23 LEU 18 2HD2 LEU 18 -1.137 12.653 -5.926 131 H LYS 19 H LYS 19 -2.807 14.412 -1.331 132 HA LYS 19 HA LYS 19 -1.403 15.968 0.585 133 HB2 LYS 19 2HB LYS 19 -3.295 17.413 0.645 134 HB3 LYS 19 1HB LYS 19 -2.992 16.957 -1.016 135 HG2 LYS 19 2HG LYS 19 -4.860 15.315 -0.814 136 HG3 LYS 19 1HG LYS 19 -5.191 15.973 0.791 137 HD2 LYS 19 2HD LYS 19 -5.331 18.247 -0.336 138 HD3 LYS 19 1HD LYS 19 -5.363 17.379 -1.864 139 HE2 LYS 19 2HE LYS 19 -7.376 17.245 0.359 140 HE3 LYS 19 1HE LYS 19 -7.582 17.881 -1.270 141 HZ1 LYS 19 3HZ LYS 19 -7.258 15.650 -2.143 142 HZ2 LYS 19 1HZ LYS 19 -8.585 15.728 -1.094 143 HZ3 LYS 19 2HZ LYS 19 -7.138 15.042 -0.567 144 H ARG 20 H ARG 20 -3.753 13.437 0.915 145 HA ARG 20 HA ARG 20 -4.127 14.133 3.721 146 HB2 ARG 20 2HB ARG 20 -5.930 12.559 3.796 147 HB3 ARG 20 1HB ARG 20 -6.117 13.562 2.368 148 HG2 ARG 20 2HG ARG 20 -5.222 11.747 0.993 149 HG3 ARG 20 1HG ARG 20 -5.074 10.742 2.434 150 HD2 ARG 20 2HD ARG 20 -7.104 10.084 1.473 151 HD3 ARG 20 1HD ARG 20 -7.562 11.167 2.783 152 HE ARG 20 HE ARG 20 -7.398 12.138 -0.000 153 HH11 ARG 20 1HH1 ARG 20 -9.152 11.849 3.022 154 HH12 ARG 20 2HH1 ARG 20 -10.599 12.565 2.384 155 HH21 ARG 20 1HH2 ARG 20 -9.303 13.107 -0.819 156 HH22 ARG 20 2HH2 ARG 20 -10.685 13.285 0.227 157 H ILE 21 H ILE 21 -2.502 11.722 1.762 158 HA ILE 21 HA ILE 21 -1.994 9.933 3.946 159 HB ILE 21 HB ILE 21 -1.903 9.160 1.615 160 HG12 ILE 21 2HG1 ILE 21 0.046 7.740 1.817 161 HG13 ILE 21 1HG1 ILE 21 0.794 8.862 2.949 162 HG21 ILE 21 1HG2 ILE 21 0.590 10.843 1.423 163 HG22 ILE 21 2HG2 ILE 21 -0.920 11.091 0.545 164 HG23 ILE 21 3HG2 ILE 21 0.066 9.667 0.220 165 HD11 ILE 21 3HD1 ILE 21 -1.729 7.307 3.465 166 HD12 ILE 21 1HD1 ILE 21 -0.880 8.348 4.607 167 HD13 ILE 21 2HD1 ILE 21 -0.118 6.864 4.035 168 H ALA 22 H ALA 22 -0.528 12.838 2.743 169 HA ALA 22 HA ALA 22 1.914 12.531 4.252 170 HB1 ALA 22 1HB ALA 22 0.774 14.975 2.901 171 HB2 ALA 22 2HB ALA 22 1.872 13.813 2.158 172 HB3 ALA 22 3HB ALA 22 2.417 14.795 3.519 173 H ALA 23 H ALA 23 -1.237 13.287 5.006 174 HA ALA 23 HA ALA 23 -0.611 15.325 6.997 175 HB1 ALA 23 1HB ALA 23 -2.524 15.703 5.531 176 HB2 ALA 23 2HB ALA 23 -3.038 15.549 7.212 177 HB3 ALA 23 3HB ALA 23 -3.260 14.204 6.094 178 H GLU 24 H GLU 24 -2.005 15.095 9.039 179 HA GLU 24 HA GLU 24 -1.742 12.370 10.099 180 HB2 GLU 24 2HB GLU 24 -0.709 14.633 11.170 181 HB3 GLU 24 1HB GLU 24 -2.295 14.653 11.924 182 HG2 GLU 24 2HG GLU 24 -0.319 12.382 12.072 183 HG3 GLU 24 1HG GLU 24 -0.601 13.581 13.333 184 H GLY 25 H GLY 25 -3.549 11.622 11.412 185 HA2 GLY 25 2HA GLY 25 -5.850 11.393 11.765 186 HA3 GLY 25 1HA GLY 25 -6.109 12.900 10.886 187 H TYR 26 H TYR 26 -4.022 10.566 9.539 188 HA TYR 26 HA TYR 26 -5.415 10.397 7.119 189 HB2 TYR 26 2HB TYR 26 -3.820 8.505 6.624 190 HB3 TYR 26 1HB TYR 26 -3.049 10.003 7.129 191 HD1 TYR 26 2HD TYR 26 -3.919 6.572 8.179 192 HD2 TYR 26 1HD TYR 26 -1.772 10.116 9.149 193 HE1 TYR 26 2HE TYR 26 -2.728 5.356 9.951 194 HE2 TYR 26 1HE TYR 26 -0.572 8.907 10.922 195 HH TYR 26 HH TYR 26 -0.838 6.952 12.316 196 H ALA 27 H ALA 27 -5.503 8.470 10.027 197 HA ALA 27 HA ALA 27 -7.009 6.302 8.920 198 HB1 ALA 27 1HB ALA 27 -7.310 5.591 11.233 199 HB2 ALA 27 2HB ALA 27 -6.685 7.139 11.803 200 HB3 ALA 27 3HB ALA 27 -5.629 6.028 10.931 201 H GLU 28 H GLU 28 -7.716 9.422 10.198 202 HA GLU 28 HA GLU 28 -10.513 8.970 10.667 203 HB2 GLU 28 2HB GLU 28 -9.041 11.589 10.299 204 HB3 GLU 28 1HB GLU 28 -10.636 11.375 11.006 205 HG2 GLU 28 2HG GLU 28 -8.120 10.215 12.171 206 HG3 GLU 28 1HG GLU 28 -8.801 11.769 12.642 207 H ASP 29 H ASP 29 -8.471 9.958 8.040 208 HA ASP 29 HA ASP 29 -10.449 10.878 6.249 209 HB2 ASP 29 2HB ASP 29 -7.674 9.772 5.923 210 HB3 ASP 29 1HB ASP 29 -8.682 10.052 4.510 211 H GLU 30 H GLU 30 -12.183 9.679 5.816 212 HA GLU 30 HA GLU 30 -12.297 6.910 6.264 213 HB2 GLU 30 2HB GLU 30 -14.215 8.517 6.381 214 HB3 GLU 30 1HB GLU 30 -14.212 8.564 4.623 215 HG2 GLU 30 2HG GLU 30 -14.654 6.162 4.564 216 HG3 GLU 30 1HG GLU 30 -14.676 6.131 6.326 217 H LEU 31 H LEU 31 -11.646 8.799 3.396 218 HA LEU 31 HA LEU 31 -12.142 6.845 1.456 219 HB2 LEU 31 2HB LEU 31 -11.721 9.273 1.029 220 HB3 LEU 31 1HB LEU 31 -10.029 9.004 1.398 221 HG LEU 31 HG LEU 31 -9.901 7.426 -0.517 222 HD11 LEU 31 1HD1 LEU 31 -12.706 8.394 -1.037 223 HD12 LEU 31 2HD1 LEU 31 -12.224 6.752 -0.614 224 HD13 LEU 31 3HD1 LEU 31 -11.729 7.447 -2.157 225 HD21 LEU 31 3HD2 LEU 31 -9.948 9.140 -2.253 226 HD22 LEU 31 1HD2 LEU 31 -9.229 9.759 -0.767 227 HD23 LEU 31 2HD2 LEU 31 -10.882 10.196 -1.192 228 H LEU 32 H LEU 32 -9.295 7.584 3.404 229 HA LEU 32 HA LEU 32 -7.531 5.803 2.114 230 HB2 LEU 32 2HB LEU 32 -7.255 7.829 3.860 231 HB3 LEU 32 1HB LEU 32 -7.187 6.484 4.984 232 HG LEU 32 HG LEU 32 -5.402 5.532 3.447 233 HD11 LEU 32 1HD1 LEU 32 -5.379 8.390 2.514 234 HD12 LEU 32 2HD1 LEU 32 -5.778 6.975 1.539 235 HD13 LEU 32 3HD1 LEU 32 -4.140 7.190 2.154 236 HD21 LEU 32 3HD2 LEU 32 -4.950 6.427 5.673 237 HD22 LEU 32 1HD2 LEU 32 -4.825 8.048 4.990 238 HD23 LEU 32 2HD2 LEU 32 -3.645 6.815 4.550 239 H LEU 33 H LEU 33 -9.616 5.638 4.933 240 HA LEU 33 HA LEU 33 -8.788 3.096 5.844 241 HB2 LEU 33 2HB LEU 33 -10.232 5.051 6.923 242 HB3 LEU 33 1HB LEU 33 -11.557 4.066 6.335 243 HG LEU 33 HG LEU 33 -10.565 2.135 7.611 244 HD11 LEU 33 1HD1 LEU 33 -8.879 4.337 8.794 245 HD12 LEU 33 2HD1 LEU 33 -8.299 2.974 7.834 246 HD13 LEU 33 3HD1 LEU 33 -9.009 2.696 9.424 247 HD21 LEU 33 3HD2 LEU 33 -11.406 4.565 9.185 248 HD22 LEU 33 1HD2 LEU 33 -11.434 2.900 9.765 249 HD23 LEU 33 2HD2 LEU 33 -12.484 3.389 8.436 250 H ASN 34 H ASN 34 -11.536 4.155 3.845 251 HA ASN 34 HA ASN 34 -12.761 1.650 3.565 252 HB2 ASN 34 2HB ASN 34 -12.766 4.018 1.684 253 HB3 ASN 34 1HB ASN 34 -13.789 2.602 1.479 254 HD21 ASN 34 1HD2 ASN 34 -14.630 5.307 1.831 255 HD22 ASN 34 2HD2 ASN 34 -15.557 5.373 3.288 256 H GLN 35 H GLN 35 -10.255 3.214 1.604 257 HA GLN 35 HA GLN 35 -10.150 1.201 -0.379 258 HB2 GLN 35 2HB GLN 35 -8.054 3.177 0.530 259 HB3 GLN 35 1HB GLN 35 -7.891 2.150 -0.889 260 HG2 GLN 35 2HG GLN 35 -9.709 3.212 -1.973 261 HG3 GLN 35 1HG GLN 35 -10.163 4.079 -0.507 262 HE21 GLN 35 1HE2 GLN 35 -8.866 5.787 0.197 263 HE22 GLN 35 2HE2 GLN 35 -7.795 6.621 -0.876 264 H MET 36 H MET 36 -8.345 1.661 2.645 265 HA MET 36 HA MET 36 -6.891 -0.810 2.185 266 HB2 MET 36 2HB MET 36 -6.758 1.258 4.357 267 HB3 MET 36 1HB MET 36 -5.904 -0.273 4.470 268 HG2 MET 36 2HG MET 36 -5.521 1.923 2.474 269 HG3 MET 36 1HG MET 36 -4.353 1.265 3.618 270 HE1 MET 36 3HE MET 36 -3.264 -1.301 3.292 271 HE2 MET 36 1HE MET 36 -3.872 -2.373 2.030 272 HE3 MET 36 2HE MET 36 -4.945 -1.842 3.325 273 H GLY 37 H GLY 37 -9.921 -0.253 3.200 274 HA2 GLY 37 2HA GLY 37 -9.882 -2.679 4.871 275 HA3 GLY 37 1HA GLY 37 -11.254 -1.591 4.677 276 H LYS 38 H LYS 38 -10.822 -1.380 1.816 277 HA LYS 38 HA LYS 38 -12.485 -3.514 0.944 278 HB2 LYS 38 2HB LYS 38 -12.725 -1.319 -0.015 279 HB3 LYS 38 1HB LYS 38 -11.037 -1.304 -0.508 280 HG2 LYS 38 2HG LYS 38 -11.534 -3.187 -2.053 281 HG3 LYS 38 1HG LYS 38 -13.240 -3.027 -1.627 282 HD2 LYS 38 2HD LYS 38 -13.282 -0.766 -2.482 283 HD3 LYS 38 1HD LYS 38 -11.546 -0.817 -2.794 284 HE2 LYS 38 2HE LYS 38 -13.617 -2.571 -4.112 285 HE3 LYS 38 1HE LYS 38 -12.873 -1.146 -4.837 286 HZ1 LYS 38 3HZ LYS 38 -11.457 -3.621 -4.012 287 HZ2 LYS 38 1HZ LYS 38 -10.719 -2.251 -4.669 288 HZ3 LYS 38 2HZ LYS 38 -11.801 -3.155 -5.596 289 H VAL 39 H VAL 39 -9.207 -2.515 -0.060 290 HA VAL 39 HA VAL 39 -8.948 -5.035 -1.516 291 HB VAL 39 HB VAL 39 -8.458 -2.726 -2.512 292 HG11 VAL 39 1HG1 VAL 39 -5.908 -3.054 -0.938 293 HG12 VAL 39 2HG1 VAL 39 -7.125 -1.794 -0.718 294 HG13 VAL 39 3HG1 VAL 39 -6.185 -1.864 -2.210 295 HG21 VAL 39 3HG2 VAL 39 -6.416 -4.921 -2.731 296 HG22 VAL 39 1HG2 VAL 39 -6.609 -3.590 -3.874 297 HG23 VAL 39 2HG2 VAL 39 -7.908 -4.764 -3.659 298 H ASN 40 H ASN 40 -8.886 -5.085 1.293 299 HA ASN 40 HA ASN 40 -6.158 -5.935 1.888 300 HB2 ASN 40 2HB ASN 40 -6.175 -3.628 2.535 301 HB3 ASN 40 1HB ASN 40 -7.708 -3.815 3.368 302 HD21 ASN 40 1HD2 ASN 40 -4.357 -4.771 3.385 303 HD22 ASN 40 2HD2 ASN 40 -4.243 -5.029 5.090 304 H ASP 41 H ASP 41 -9.341 -6.614 1.869 305 HA ASP 41 HA ASP 41 -9.814 -7.760 4.416 306 HB2 ASP 41 2HB ASP 41 -11.699 -7.275 3.012 307 HB3 ASP 41 1HB ASP 41 -11.053 -8.253 1.701 308 H THR 42 H THR 42 -8.768 -9.123 1.320 309 HA THR 42 HA THR 42 -7.583 -11.377 2.798 310 HB THR 42 HB THR 42 -8.134 -12.331 0.225 311 HG1 THR 42 1HG THR 42 -10.425 -11.026 1.343 312 HG21 THR 42 3HG2 THR 42 -9.695 -13.829 1.395 313 HG22 THR 42 1HG2 THR 42 -9.626 -12.786 2.813 314 HG23 THR 42 2HG2 THR 42 -8.181 -13.647 2.282 315 HA PRO 43 HA PRO 43 -4.551 -9.215 0.076 316 HB2 PRO 43 2HB PRO 43 -2.961 -8.136 1.907 317 HB3 PRO 43 1HB PRO 43 -4.560 -7.457 1.579 318 HG2 PRO 43 2HG PRO 43 -3.635 -9.104 3.873 319 HG3 PRO 43 1HG PRO 43 -4.857 -7.825 3.825 320 HD2 PRO 43 2HD PRO 43 -5.300 -10.629 3.738 321 HD3 PRO 43 1HD PRO 43 -6.503 -9.345 3.499 322 H GLU 44 H GLU 44 -4.489 -12.052 1.351 323 HA GLU 44 HA GLU 44 -3.107 -13.841 1.176 324 HB2 GLU 44 2HB GLU 44 -2.296 -12.786 -0.904 325 HB3 GLU 44 1HB GLU 44 -1.088 -11.911 0.024 326 HG2 GLU 44 2HG GLU 44 -0.115 -13.833 -1.084 327 HG3 GLU 44 1HG GLU 44 -0.044 -14.015 0.669 328 H GLU 45 H GLU 45 -1.164 -11.045 2.172 329 HA GLU 45 HA GLU 45 0.585 -12.546 3.830 330 HB2 GLU 45 2HB GLU 45 1.352 -10.504 2.885 331 HB3 GLU 45 1HB GLU 45 0.010 -9.605 3.551 332 HG2 GLU 45 2HG GLU 45 1.735 -8.966 4.904 333 HG3 GLU 45 1HG GLU 45 1.014 -10.274 5.829 334 H GLU 46 H GLU 46 -1.340 -9.849 5.145 335 HA GLU 46 HA GLU 46 -2.298 -11.670 7.247 336 HB2 GLU 46 2HB GLU 46 -1.212 -8.874 7.620 337 HB3 GLU 46 1HB GLU 46 -2.125 -9.730 8.849 338 HG2 GLU 46 2HG GLU 46 0.478 -10.677 7.678 339 HG3 GLU 46 1HG GLU 46 0.313 -9.799 9.194 340 H GLY 47 H GLY 47 -2.889 -8.234 7.173 341 HA2 GLY 47 2HA GLY 47 -5.196 -8.056 5.669 342 HA3 GLY 47 1HA GLY 47 -5.701 -8.585 7.264 343 H MET 48 H MET 48 -6.195 -7.025 8.656 344 HA MET 48 HA MET 48 -6.002 -4.334 8.061 345 HB2 MET 48 2HB MET 48 -7.655 -5.136 9.597 346 HB3 MET 48 1HB MET 48 -6.424 -5.762 10.683 347 HG2 MET 48 2HG MET 48 -6.549 -2.846 10.066 348 HG3 MET 48 1HG MET 48 -7.634 -3.560 11.257 349 HE1 MET 48 3HE MET 48 -5.295 -1.259 11.514 350 HE2 MET 48 1HE MET 48 -4.715 -1.601 13.144 351 HE3 MET 48 2HE MET 48 -6.445 -1.616 12.800 352 HA PRO 49 HA PRO 49 -1.894 -4.406 10.889 353 HB2 PRO 49 2HB PRO 49 -1.044 -7.012 9.692 354 HB3 PRO 49 1HB PRO 49 -0.637 -6.311 11.264 355 HG2 PRO 49 2HG PRO 49 -2.434 -8.250 11.098 356 HG3 PRO 49 1HG PRO 49 -2.689 -6.879 12.194 357 HD2 PRO 49 2HD PRO 49 -3.952 -7.475 9.562 358 HD3 PRO 49 1HD PRO 49 -4.650 -6.717 11.009 359 H LEU 50 H LEU 50 -2.299 -5.942 7.701 360 HA LEU 50 HA LEU 50 -0.025 -4.864 6.459 361 HB2 LEU 50 2HB LEU 50 -2.688 -5.442 5.222 362 HB3 LEU 50 1HB LEU 50 -1.217 -5.111 4.341 363 HG LEU 50 HG LEU 50 -2.134 -7.583 5.629 364 HD11 LEU 50 1HD1 LEU 50 -1.355 -8.484 3.677 365 HD12 LEU 50 2HD1 LEU 50 -0.109 -7.248 3.485 366 HD13 LEU 50 3HD1 LEU 50 -1.801 -6.856 3.168 367 HD21 LEU 50 3HD2 LEU 50 0.797 -6.863 5.588 368 HD22 LEU 50 1HD2 LEU 50 0.101 -8.417 6.038 369 HD23 LEU 50 2HD2 LEU 50 -0.188 -6.999 7.044 370 H ARG 51 H ARG 51 -3.314 -3.716 6.707 371 HA ARG 51 HA ARG 51 -3.042 -1.373 5.243 372 HB2 ARG 51 2HB ARG 51 -5.206 -1.550 5.677 373 HB3 ARG 51 1HB ARG 51 -4.931 -2.581 7.059 374 HG2 ARG 51 2HG ARG 51 -4.649 -0.601 8.468 375 HG3 ARG 51 1HG ARG 51 -4.943 0.429 7.060 376 HD2 ARG 51 2HD ARG 51 -7.164 -0.297 6.850 377 HD3 ARG 51 1HD ARG 51 -6.897 -1.694 7.891 378 HE ARG 51 HE ARG 51 -6.496 0.757 9.289 379 HH11 ARG 51 1HH1 ARG 51 -8.990 -1.381 8.065 380 HH12 ARG 51 2HH1 ARG 51 -10.148 -0.947 9.283 381 HH21 ARG 51 1HH2 ARG 51 -8.010 1.327 10.905 382 HH22 ARG 51 2HH2 ARG 51 -9.583 0.593 10.904 383 H ALA 52 H ALA 52 -2.429 -1.981 8.657 384 HA ALA 52 HA ALA 52 -1.630 0.616 9.338 385 HB1 ALA 52 1HB ALA 52 -2.180 -1.129 10.979 386 HB2 ALA 52 2HB ALA 52 -0.619 -0.376 11.298 387 HB3 ALA 52 3HB ALA 52 -0.692 -1.975 10.559 388 H TRP 53 H TRP 53 0.385 -2.195 8.253 389 HA TRP 53 HA TRP 53 2.771 -0.651 8.549 390 HB2 TRP 53 2HB TRP 53 3.981 -2.543 8.041 391 HB3 TRP 53 1HB TRP 53 2.476 -3.255 8.584 392 HD1 TRP 53 HD TRP 53 1.506 -5.036 7.179 393 HE1 TRP 53 1HE TRP 53 1.822 -5.909 4.778 394 HE3 TRP 53 3HE TRP 53 4.804 -1.535 5.426 395 HZ2 TRP 53 2HZ TRP 53 3.270 -5.256 2.493 396 HZ3 TRP 53 3HZ TRP 53 5.624 -1.764 3.116 397 HH2 TRP 53 HH TRP 53 4.867 -3.599 1.686 398 H VAL 54 H VAL 54 0.684 -1.438 5.848 399 HA VAL 54 HA VAL 54 2.470 -0.470 3.872 400 HB VAL 54 HB VAL 54 0.350 -2.065 3.719 401 HG11 VAL 54 1HG1 VAL 54 -1.337 -0.433 4.193 402 HG12 VAL 54 2HG1 VAL 54 -1.485 -0.952 2.513 403 HG13 VAL 54 3HG1 VAL 54 -0.752 0.605 2.893 404 HG21 VAL 54 3HG2 VAL 54 1.344 -0.264 1.517 405 HG22 VAL 54 1HG2 VAL 54 0.400 -1.735 1.272 406 HG23 VAL 54 2HG2 VAL 54 2.007 -1.829 1.992 407 H ILE 55 H ILE 55 -0.358 0.983 5.505 408 HA ILE 55 HA ILE 55 -0.244 3.443 4.150 409 HB ILE 55 HB ILE 55 -1.296 2.742 6.888 410 HG12 ILE 55 2HG1 ILE 55 -2.680 3.331 4.266 411 HG13 ILE 55 1HG1 ILE 55 -2.446 1.732 4.969 412 HG21 ILE 55 1HG2 ILE 55 -1.638 5.348 5.409 413 HG22 ILE 55 2HG2 ILE 55 -0.691 5.099 6.877 414 HG23 ILE 55 3HG2 ILE 55 -2.439 4.887 6.914 415 HD11 ILE 55 3HD1 ILE 55 -3.849 2.370 6.867 416 HD12 ILE 55 1HD1 ILE 55 -4.707 2.530 5.333 417 HD13 ILE 55 2HD1 ILE 55 -4.086 3.964 6.150 418 H LYS 56 H LYS 56 1.298 2.342 7.152 419 HA LYS 56 HA LYS 56 2.392 4.834 7.870 420 HB2 LYS 56 2HB LYS 56 2.154 2.910 9.403 421 HB3 LYS 56 1HB LYS 56 3.443 2.083 8.536 422 HG2 LYS 56 2HG LYS 56 5.017 3.816 9.181 423 HG3 LYS 56 1HG LYS 56 3.730 4.700 10.001 424 HD2 LYS 56 2HD LYS 56 4.685 1.927 10.712 425 HD3 LYS 56 1HD LYS 56 5.109 3.408 11.572 426 HE2 LYS 56 2HE LYS 56 2.744 3.766 12.107 427 HE3 LYS 56 1HE LYS 56 2.327 2.282 11.254 428 HZ1 LYS 56 3HZ LYS 56 4.077 2.454 13.643 429 HZ2 LYS 56 1HZ LYS 56 3.642 1.034 12.832 430 HZ3 LYS 56 2HZ LYS 56 2.465 1.939 13.640 431 H CYS 57 H CYS 57 3.836 2.107 6.088 432 HA CYS 57 HA CYS 57 6.374 3.343 5.812 433 HB2 CYS 57 2HB CYS 57 5.120 1.141 4.159 434 HB3 CYS 57 1HB CYS 57 6.830 1.568 4.171 435 HG CYS 57 HG CYS 57 5.015 -0.062 6.523 436 H ALA 58 H ALA 58 3.522 3.200 3.718 437 HA ALA 58 HA ALA 58 4.654 4.618 1.546 438 HB1 ALA 58 1HB ALA 58 2.604 3.322 1.313 439 HB2 ALA 58 2HB ALA 58 2.340 5.003 0.847 440 HB3 ALA 58 3HB ALA 58 1.772 4.422 2.412 441 H HIS 59 H HIS 59 2.869 5.603 4.415 442 HA HIS 59 HA HIS 59 2.538 8.308 3.924 443 HB2 HIS 59 2HB HIS 59 1.559 7.056 5.833 444 HB3 HIS 59 1HB HIS 59 3.148 6.961 6.572 445 HD1 HIS 59 1HD HIS 59 0.950 8.179 8.185 446 HD2 HIS 59 2HD HIS 59 3.355 10.428 5.661 447 HE1 HIS 59 1HE HIS 59 0.841 10.528 9.074 448 HE2 HIS 59 2HE HIS 59 2.400 11.848 7.605 449 H GLU 60 H GLU 60 5.254 6.738 5.644 450 HA GLU 60 HA GLU 60 6.681 9.157 5.945 451 HB2 GLU 60 2HB GLU 60 8.598 7.709 6.569 452 HB3 GLU 60 1HB GLU 60 7.123 7.351 7.451 453 HG2 GLU 60 2HG GLU 60 6.713 5.443 5.990 454 HG3 GLU 60 1HG GLU 60 8.210 5.794 5.121 455 H ALA 61 H ALA 61 6.758 6.653 3.455 456 HA ALA 61 HA ALA 61 9.059 7.599 2.104 457 HB1 ALA 61 1HB ALA 61 8.104 5.363 1.741 458 HB2 ALA 61 2HB ALA 61 8.312 6.247 0.230 459 HB3 ALA 61 3HB ALA 61 6.708 6.097 0.953 460 H LEU 62 H LEU 62 5.692 8.475 1.990 461 HA LEU 62 HA LEU 62 5.970 10.157 -0.339 462 HB2 LEU 62 2HB LEU 62 3.943 8.899 0.059 463 HB3 LEU 62 1HB LEU 62 3.722 9.675 1.603 464 HG LEU 62 HG LEU 62 2.155 10.412 -0.192 465 HD11 LEU 62 1HD1 LEU 62 2.526 11.823 1.742 466 HD12 LEU 62 2HD1 LEU 62 2.273 12.789 0.287 467 HD13 LEU 62 3HD1 LEU 62 3.899 12.585 0.938 468 HD21 LEU 62 3HD2 LEU 62 3.652 10.365 -2.073 469 HD22 LEU 62 1HD2 LEU 62 4.614 11.668 -1.375 470 HD23 LEU 62 2HD2 LEU 62 2.950 11.971 -1.878 471 H GLU 63 H GLU 63 5.681 10.594 3.163 472 HA GLU 63 HA GLU 63 5.418 13.450 2.893 473 HB2 GLU 63 2HB GLU 63 4.273 12.216 4.679 474 HB3 GLU 63 1HB GLU 63 5.814 11.687 5.330 475 HG2 GLU 63 2HG GLU 63 5.282 14.604 5.116 476 HG3 GLU 63 1HG GLU 63 4.480 13.681 6.385 477 H LYS 64 H LYS 64 8.045 11.204 3.419 478 HA LYS 64 HA LYS 64 9.861 13.347 4.227 479 HB2 LYS 64 2HB LYS 64 9.935 11.025 5.239 480 HB3 LYS 64 1HB LYS 64 10.537 10.451 3.693 481 HG2 LYS 64 2HG LYS 64 12.479 11.918 3.903 482 HG3 LYS 64 1HG LYS 64 11.876 12.490 5.458 483 HD2 LYS 64 2HD LYS 64 12.410 9.580 4.920 484 HD3 LYS 64 1HD LYS 64 13.674 10.671 5.480 485 HE2 LYS 64 2HE LYS 64 12.743 9.511 7.371 486 HE3 LYS 64 1HE LYS 64 12.284 11.208 7.455 487 HZ1 LYS 64 3HZ LYS 64 10.490 9.139 6.325 488 HZ2 LYS 64 1HZ LYS 64 10.093 10.704 6.832 489 HZ3 LYS 64 2HZ LYS 64 10.501 9.529 7.972 490 H ASN 65 H ASN 65 8.706 11.842 1.485 491 HA ASN 65 HA ASN 65 10.624 13.223 -0.205 492 HB2 ASN 65 2HB ASN 65 11.580 11.005 -0.035 493 HB3 ASN 65 1HB ASN 65 10.026 10.255 -0.337 494 HD21 ASN 65 1HD2 ASN 65 9.405 9.887 -2.351 495 HD22 ASN 65 2HD2 ASN 65 10.373 10.265 -3.733 496 HA PRO 66 HA PRO 66 6.110 13.379 -1.226 497 HB2 PRO 66 2HB PRO 66 5.619 15.959 -0.843 498 HB3 PRO 66 1HB PRO 66 5.900 14.896 0.530 499 HG2 PRO 66 2HG PRO 66 7.813 16.779 -0.804 500 HG3 PRO 66 1HG PRO 66 7.502 16.547 0.927 501 HD2 PRO 66 2HD PRO 66 9.582 15.367 -0.443 502 HD3 PRO 66 1HD PRO 66 8.871 14.714 1.046 503 H LYS 67 H LYS 67 8.283 13.321 -3.105 504 HA LYS 67 HA LYS 67 7.373 15.252 -5.136 505 HB2 LYS 67 2HB LYS 67 9.994 13.782 -4.826 506 HB3 LYS 67 1HB LYS 67 9.540 14.599 -6.311 507 HG2 LYS 67 2HG LYS 67 10.990 16.028 -5.088 508 HG3 LYS 67 1HG LYS 67 9.370 16.718 -5.019 509 HD2 LYS 67 2HD LYS 67 9.063 15.962 -2.780 510 HD3 LYS 67 1HD LYS 67 10.537 14.998 -2.844 511 HE2 LYS 67 2HE LYS 67 10.419 18.003 -3.050 512 HE3 LYS 67 1HE LYS 67 10.816 17.104 -1.586 513 HZ1 LYS 67 3HZ LYS 67 12.815 17.820 -2.675 514 HZ2 LYS 67 1HZ LYS 67 12.349 17.090 -4.128 515 HZ3 LYS 67 2HZ LYS 67 12.708 16.137 -2.778 516 H ILE 68 H ILE 68 7.378 11.976 -4.226 517 HA ILE 68 HA ILE 68 7.366 10.914 -6.902 518 HB ILE 68 HB ILE 68 6.766 8.740 -5.734 519 HG12 ILE 68 2HG1 ILE 68 7.474 8.679 -3.315 520 HG13 ILE 68 1HG1 ILE 68 7.332 10.427 -3.275 521 HG21 ILE 68 1HG2 ILE 68 8.932 9.025 -6.533 522 HG22 ILE 68 2HG2 ILE 68 9.128 8.512 -4.856 523 HG23 ILE 68 3HG2 ILE 68 9.328 10.210 -5.293 524 HD11 ILE 68 3HD1 ILE 68 5.146 8.455 -3.842 525 HD12 ILE 68 1HD1 ILE 68 4.973 10.210 -3.850 526 HD13 ILE 68 2HD1 ILE 68 5.390 9.371 -2.355 527 H ARG 69 H ARG 69 5.552 8.960 -6.901 528 HA ARG 69 HA ARG 69 2.945 10.253 -6.622 529 HB2 ARG 69 2HB ARG 69 2.337 9.897 -8.929 530 HB3 ARG 69 1HB ARG 69 3.819 10.838 -8.877 531 HG2 ARG 69 2HG ARG 69 5.039 8.626 -9.202 532 HG3 ARG 69 1HG ARG 69 3.463 7.958 -9.628 533 HD2 ARG 69 2HD ARG 69 4.581 8.602 -11.648 534 HD3 ARG 69 1HD ARG 69 3.258 9.731 -11.365 535 HE ARG 69 HE ARG 69 4.830 11.394 -10.763 536 HH11 ARG 69 1HH1 ARG 69 6.325 8.426 -11.866 537 HH12 ARG 69 2HH1 ARG 69 7.865 9.161 -12.161 538 HH21 ARG 69 1HH2 ARG 69 6.851 12.365 -11.162 539 HH22 ARG 69 2HH2 ARG 69 8.163 11.405 -11.777 540 H GLU 70 H GLU 70 4.909 7.454 -6.784 541 HA GLU 70 HA GLU 70 2.923 5.966 -5.403 542 HB2 GLU 70 2HB GLU 70 2.786 4.080 -6.986 543 HB3 GLU 70 1HB GLU 70 2.085 5.562 -7.630 544 HG2 GLU 70 2HG GLU 70 4.103 5.937 -8.955 545 HG3 GLU 70 1HG GLU 70 4.808 4.457 -8.304 546 H VAL 71 H VAL 71 3.764 3.801 -4.760 547 HA VAL 71 HA VAL 71 6.693 3.657 -4.866 548 HB VAL 71 HB VAL 71 6.002 4.755 -2.740 549 HG11 VAL 71 1HG1 VAL 71 4.661 2.127 -2.186 550 HG12 VAL 71 2HG1 VAL 71 3.897 3.710 -2.331 551 HG13 VAL 71 3HG1 VAL 71 4.974 3.371 -0.977 552 HG21 VAL 71 3HG2 VAL 71 7.278 2.045 -2.415 553 HG22 VAL 71 1HG2 VAL 71 7.372 3.372 -1.256 554 HG23 VAL 71 2HG2 VAL 71 8.104 3.540 -2.851 555 H TYR 72 H TYR 72 7.551 1.557 -4.445 556 HA TYR 72 HA TYR 72 5.644 -0.568 -5.149 557 HB2 TYR 72 2HB TYR 72 8.634 -0.676 -5.554 558 HB3 TYR 72 1HB TYR 72 7.395 -1.656 -6.329 559 HD1 TYR 72 2HD TYR 72 5.994 -0.678 -8.139 560 HD2 TYR 72 1HD TYR 72 9.229 1.470 -6.399 561 HE1 TYR 72 2HE TYR 72 5.976 0.885 -10.042 562 HE2 TYR 72 1HE TYR 72 9.216 3.038 -8.289 563 HH TYR 72 HH TYR 72 8.506 3.117 -10.603 564 H LEU 73 H LEU 73 5.187 -1.863 -3.504 565 HA LEU 73 HA LEU 73 7.221 -2.235 -1.405 566 HB2 LEU 73 2HB LEU 73 4.248 -1.837 -1.186 567 HB3 LEU 73 1HB LEU 73 5.194 -2.512 0.117 568 HG LEU 73 HG LEU 73 5.518 0.248 -1.055 569 HD11 LEU 73 1HD1 LEU 73 4.710 0.978 1.155 570 HD12 LEU 73 2HD1 LEU 73 4.416 -0.709 1.586 571 HD13 LEU 73 3HD1 LEU 73 3.507 0.040 0.272 572 HD21 LEU 73 3HD2 LEU 73 7.074 0.597 0.830 573 HD22 LEU 73 1HD2 LEU 73 7.661 -0.600 -0.324 574 HD23 LEU 73 2HD2 LEU 73 6.965 -1.122 1.209 575 H LYS 74 H LYS 74 7.542 -4.286 -0.640 576 HA LYS 74 HA LYS 74 5.660 -6.343 -1.577 577 HB2 LYS 74 2HB LYS 74 7.834 -6.854 -2.484 578 HB3 LYS 74 1HB LYS 74 8.590 -6.663 -0.901 579 HG2 LYS 74 2HG LYS 74 7.184 -8.532 -0.071 580 HG3 LYS 74 1HG LYS 74 6.600 -8.767 -1.712 581 HD2 LYS 74 2HD LYS 74 8.720 -9.472 -2.464 582 HD3 LYS 74 1HD LYS 74 9.512 -8.891 -0.993 583 HE2 LYS 74 2HE LYS 74 7.378 -10.997 -0.935 584 HE3 LYS 74 1HE LYS 74 9.083 -11.406 -1.163 585 HZ1 LYS 74 3HZ LYS 74 8.326 -11.533 1.170 586 HZ2 LYS 74 1HZ LYS 74 8.003 -9.872 1.144 587 HZ3 LYS 74 2HZ LYS 74 9.589 -10.428 0.955 588 HA PRO 75 HA PRO 75 4.376 -6.983 2.646 589 HB2 PRO 75 2HB PRO 75 3.990 -9.697 1.464 590 HB3 PRO 75 1HB PRO 75 2.891 -8.746 2.474 591 HG2 PRO 75 2HG PRO 75 2.464 -8.882 -0.118 592 HG3 PRO 75 1HG PRO 75 2.306 -7.326 0.716 593 HD2 PRO 75 2HD PRO 75 4.530 -8.332 -1.012 594 HD3 PRO 75 1HD PRO 75 3.821 -6.713 -0.915 595 H ARG 76 H ARG 76 5.003 -8.183 4.424 596 HA ARG 76 HA ARG 76 7.805 -8.325 4.607 597 HB2 ARG 76 2HB ARG 76 5.970 -9.518 6.649 598 HB3 ARG 76 1HB ARG 76 7.483 -8.661 6.898 599 HG2 ARG 76 2HG ARG 76 6.451 -6.558 6.320 600 HG3 ARG 76 1HG ARG 76 4.939 -7.373 5.926 601 HD2 ARG 76 2HD ARG 76 6.234 -7.210 8.645 602 HD3 ARG 76 1HD ARG 76 4.798 -6.331 8.110 603 HE ARG 76 HE ARG 76 4.672 -9.244 8.019 604 HH11 ARG 76 1HH1 ARG 76 3.879 -6.289 9.714 605 HH12 ARG 76 2HH1 ARG 76 2.650 -7.022 10.692 606 HH21 ARG 76 1HH2 ARG 76 3.040 -10.226 9.310 607 HH22 ARG 76 2HH2 ARG 76 2.170 -9.263 10.460 608 H ALA 77 H ALA 77 5.325 -10.771 4.254 609 HA ALA 77 HA ALA 77 6.863 -12.971 5.128 610 HB1 ALA 77 1HB ALA 77 5.165 -14.357 4.058 611 HB2 ALA 77 2HB ALA 77 4.507 -12.933 3.251 612 HB3 ALA 77 3HB ALA 77 4.435 -13.065 5.009 613 H VAL 78 H VAL 78 8.667 -13.526 4.279 614 HA VAL 78 HA VAL 78 9.502 -13.240 1.609 615 HB VAL 78 HB VAL 78 10.379 -15.319 3.625 616 HG11 VAL 78 1HG1 VAL 78 11.799 -14.253 1.190 617 HG12 VAL 78 2HG1 VAL 78 11.077 -15.853 1.349 618 HG13 VAL 78 3HG1 VAL 78 12.456 -15.405 2.353 619 HG21 VAL 78 3HG2 VAL 78 10.606 -13.085 4.534 620 HG22 VAL 78 1HG2 VAL 78 11.451 -12.554 3.080 621 HG23 VAL 78 2HG2 VAL 78 12.195 -13.743 4.147 622 H LYS 79 H LYS 79 7.665 -15.674 3.278 623 HA LYS 79 HA LYS 79 7.823 -17.750 1.385 624 HB2 LYS 79 2HB LYS 79 7.137 -18.126 3.691 625 HB3 LYS 79 1HB LYS 79 5.703 -17.139 3.450 626 HG2 LYS 79 2HG LYS 79 4.834 -18.758 1.858 627 HG3 LYS 79 1HG LYS 79 6.287 -19.739 2.047 628 HD2 LYS 79 2HD LYS 79 4.369 -19.058 4.272 629 HD3 LYS 79 1HD LYS 79 4.358 -20.569 3.366 630 HE2 LYS 79 2HE LYS 79 6.589 -19.519 5.102 631 HE3 LYS 79 1HE LYS 79 5.524 -20.873 5.464 632 HZ1 LYS 79 3HZ LYS 79 7.521 -20.744 3.268 633 HZ2 LYS 79 1HZ LYS 79 6.441 -22.023 3.514 634 HZ3 LYS 79 2HZ LYS 79 7.624 -21.682 4.669 635 H ASN 80 H ASN 80 5.883 -14.861 1.491 636 HA ASN 80 HA ASN 80 3.772 -15.739 -0.169 637 HB2 ASN 80 2HB ASN 80 4.850 -13.009 0.463 638 HB3 ASN 80 1HB ASN 80 3.558 -13.235 -0.709 639 HD21 ASN 80 1HD2 ASN 80 3.343 -11.752 1.675 640 HD22 ASN 80 2HD2 ASN 80 2.183 -12.544 2.671 641 H SER 81 H SER 81 6.969 -14.551 -0.822 642 HA SER 81 HA SER 81 8.290 -14.693 -2.633 643 HB2 SER 81 2HB SER 81 7.490 -16.977 -2.829 644 HB3 SER 81 1HB SER 81 6.070 -16.439 -3.717 645 HG SER 81 HG SER 81 8.770 -16.161 -4.571 646 H SER 82 H SER 82 5.203 -14.732 -4.433 647 HA SER 82 HA SER 82 6.311 -12.480 -5.961 648 HB2 SER 82 2HB SER 82 6.073 -14.669 -7.126 649 HB3 SER 82 1HB SER 82 4.332 -14.563 -6.892 650 HG SER 82 HG SER 82 4.495 -12.507 -8.048 651 H VAL 83 H VAL 83 4.727 -12.030 -3.598 652 HA VAL 83 HA VAL 83 2.331 -10.836 -4.801 653 HB VAL 83 HB VAL 83 1.967 -12.114 -2.715 654 HG11 VAL 83 1HG1 VAL 83 2.795 -11.322 -0.585 655 HG12 VAL 83 2HG1 VAL 83 3.658 -10.010 -1.390 656 HG13 VAL 83 3HG1 VAL 83 4.144 -11.677 -1.669 657 HG21 VAL 83 3HG2 VAL 83 1.508 -9.149 -2.431 658 HG22 VAL 83 1HG2 VAL 83 0.684 -10.406 -1.510 659 HG23 VAL 83 2HG2 VAL 83 0.452 -10.295 -3.253 660 H GLN 84 H GLN 84 2.223 -8.689 -5.168 661 HA GLN 84 HA GLN 84 4.347 -7.010 -4.017 662 HB2 GLN 84 2HB GLN 84 3.388 -6.961 -6.882 663 HB3 GLN 84 1HB GLN 84 4.533 -5.833 -6.173 664 HG2 GLN 84 2HG GLN 84 6.101 -7.646 -5.774 665 HG3 GLN 84 1HG GLN 84 4.952 -8.800 -6.451 666 HE21 GLN 84 1HE2 GLN 84 6.335 -9.435 -8.067 667 HE22 GLN 84 2HE2 GLN 84 6.721 -8.426 -9.409 668 H PHE 85 H PHE 85 3.711 -5.068 -3.296 669 HA PHE 85 HA PHE 85 0.888 -4.384 -3.683 670 HB2 PHE 85 2HB PHE 85 2.826 -3.688 -1.476 671 HB3 PHE 85 1HB PHE 85 1.295 -2.848 -1.684 672 HD1 PHE 85 2HD PHE 85 0.805 -6.188 -2.649 673 HD2 PHE 85 1HD PHE 85 1.281 -3.745 0.803 674 HE1 PHE 85 2HE PHE 85 -0.331 -7.892 -1.290 675 HE2 PHE 85 1HE PHE 85 0.148 -5.444 2.166 676 HZ PHE 85 HZ PHE 85 -0.660 -7.524 1.125 677 H HIS 86 H HIS 86 0.409 -2.740 -4.917 678 HA HIS 86 HA HIS 86 2.539 -0.837 -5.612 679 HB2 HIS 86 2HB HIS 86 -0.091 -1.449 -6.992 680 HB3 HIS 86 1HB HIS 86 1.023 -0.185 -7.495 681 HD1 HIS 86 1HD HIS 86 2.278 -0.893 -9.475 682 HD2 HIS 86 2HD HIS 86 1.551 -4.081 -6.912 683 HE1 HIS 86 1HE HIS 86 3.329 -2.895 -10.571 684 HE2 HIS 86 2HE HIS 86 2.694 -4.852 -9.103 685 H VAL 87 H VAL 87 2.473 0.755 -4.076 686 HA VAL 87 HA VAL 87 -0.169 1.771 -3.335 687 HB VAL 87 HB VAL 87 2.576 2.280 -2.190 688 HG11 VAL 87 1HG1 VAL 87 1.510 3.806 -0.596 689 HG12 VAL 87 2HG1 VAL 87 -0.010 3.661 -1.477 690 HG13 VAL 87 3HG1 VAL 87 1.390 4.407 -2.248 691 HG21 VAL 87 3HG2 VAL 87 1.590 1.387 -0.147 692 HG22 VAL 87 1HG2 VAL 87 1.444 0.231 -1.471 693 HG23 VAL 87 2HG2 VAL 87 0.044 1.183 -0.972 694 H ILE 88 H ILE 88 -0.964 3.203 -4.621 695 HA ILE 88 HA ILE 88 0.838 4.978 -6.097 696 HB ILE 88 HB ILE 88 -2.051 4.246 -6.608 697 HG12 ILE 88 2HG1 ILE 88 0.450 3.551 -8.167 698 HG13 ILE 88 1HG1 ILE 88 -0.356 2.461 -7.039 699 HG21 ILE 88 1HG2 ILE 88 -1.594 6.518 -7.334 700 HG22 ILE 88 2HG2 ILE 88 -1.785 5.454 -8.727 701 HG23 ILE 88 3HG2 ILE 88 -0.175 5.965 -8.223 702 HD11 ILE 88 3HD1 ILE 88 -1.570 3.588 -9.551 703 HD12 ILE 88 1HD1 ILE 88 -2.352 2.472 -8.431 704 HD13 ILE 88 2HD1 ILE 88 -0.936 1.956 -9.348 705 H PHE 89 H PHE 89 0.605 7.169 -5.968 706 HA PHE 89 HA PHE 89 -1.022 8.055 -3.711 707 HB2 PHE 89 2HB PHE 89 1.421 9.242 -5.021 708 HB3 PHE 89 1HB PHE 89 0.474 10.074 -3.795 709 HD1 PHE 89 2HD PHE 89 0.092 8.929 -1.595 710 HD2 PHE 89 1HD PHE 89 3.026 7.662 -4.390 711 HE1 PHE 89 2HE PHE 89 1.217 7.655 0.176 712 HE2 PHE 89 1HE PHE 89 4.149 6.365 -2.629 713 HZ PHE 89 HZ PHE 89 3.230 6.370 -0.353 714 H ASP 90 H ASP 90 -2.897 8.855 -4.256 715 HA ASP 90 HA ASP 90 -3.420 9.516 -7.024 716 HB2 ASP 90 2HB ASP 90 -4.894 8.089 -5.449 717 HB3 ASP 90 1HB ASP 90 -5.440 9.631 -4.805 718 H GLU 91 H GLU 91 -3.838 11.485 -7.838 719 HA GLU 91 HA GLU 91 -3.561 13.768 -6.059 720 HB2 GLU 91 2HB GLU 91 -3.601 15.070 -8.232 721 HB3 GLU 91 1HB GLU 91 -2.249 13.965 -8.027 722 HG2 GLU 91 2HG GLU 91 -3.279 12.361 -9.494 723 HG3 GLU 91 1HG GLU 91 -4.732 13.349 -9.612 724 H GLU 92 H GLU 92 -5.302 14.527 -5.123 725 HA GLU 92 HA GLU 92 -7.673 15.112 -6.627 726 HB2 GLU 92 2HB GLU 92 -9.182 13.847 -5.082 727 HB3 GLU 92 1HB GLU 92 -8.200 12.828 -6.123 728 HG2 GLU 92 2HG GLU 92 -7.795 11.702 -4.237 729 HG3 GLU 92 1HG GLU 92 -6.619 12.983 -3.949 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 8.179 -14.443 -16.986 2 H2 GLY 1 2HT GLY 1 9.133 -15.796 -17.329 3 H3 GLY 1 3HT GLY 1 7.465 -15.848 -17.596 4 HA2 GLY 1 1HA GLY 1 7.653 -14.172 -19.319 5 HA3 GLY 1 2HA GLY 1 9.387 -14.111 -19.038 6 H SER 2 H SER 2 10.226 -14.921 -20.884 7 HA SER 2 HA SER 2 8.986 -17.061 -22.320 8 HB2 SER 2 2HB SER 2 11.743 -15.863 -22.662 9 HB3 SER 2 1HB SER 2 10.894 -16.873 -23.833 10 HG SER 2 HG SER 2 10.780 -14.531 -24.166 11 H ALA 3 H ALA 3 11.499 -16.804 -19.930 12 HA ALA 3 HA ALA 3 12.508 -19.473 -20.446 13 HB1 ALA 3 1HB ALA 3 13.270 -17.514 -18.282 14 HB2 ALA 3 2HB ALA 3 14.061 -17.667 -19.851 15 HB3 ALA 3 3HB ALA 3 14.125 -19.000 -18.697 16 H MET 4 H MET 4 10.145 -20.095 -20.011 17 HA MET 4 HA MET 4 8.582 -21.187 -18.807 18 HB2 MET 4 2HB MET 4 9.337 -22.937 -17.381 19 HB3 MET 4 1HB MET 4 10.518 -22.762 -18.666 20 HG2 MET 4 2HG MET 4 11.981 -21.522 -17.138 21 HG3 MET 4 1HG MET 4 10.796 -21.732 -15.851 22 HE1 MET 4 3HE MET 4 9.775 -24.706 -16.306 23 HE2 MET 4 1HE MET 4 10.204 -24.027 -14.736 24 HE3 MET 4 2HE MET 4 10.875 -25.577 -15.240 25 H GLY 5 H GLY 5 8.078 -21.830 -16.254 26 HA2 GLY 5 2HA GLY 5 8.055 -20.961 -14.025 27 HA3 GLY 5 1HA GLY 5 8.409 -19.371 -14.683 28 H HIS 6 H HIS 6 6.099 -21.091 -13.226 29 HA HIS 6 HA HIS 6 3.977 -19.419 -14.409 30 HB2 HIS 6 2HB HIS 6 3.743 -22.109 -13.039 31 HB3 HIS 6 1HB HIS 6 2.365 -21.086 -13.418 32 HD1 HIS 6 1HD HIS 6 4.629 -23.588 -14.868 33 HD2 HIS 6 2HD HIS 6 1.904 -20.769 -16.251 34 HE1 HIS 6 1HE HIS 6 4.134 -24.234 -17.251 35 HE2 HIS 6 2HE HIS 6 2.393 -22.586 -18.026 36 H MET 7 H MET 7 4.109 -17.652 -13.141 37 HA MET 7 HA MET 7 4.444 -18.029 -10.251 38 HB2 MET 7 2HB MET 7 6.104 -16.628 -11.418 39 HB3 MET 7 1HB MET 7 4.817 -15.552 -11.944 40 HG2 MET 7 2HG MET 7 4.342 -14.966 -9.632 41 HG3 MET 7 1HG MET 7 5.607 -16.068 -9.086 42 HE1 MET 7 3HE MET 7 7.165 -12.539 -8.372 43 HE2 MET 7 1HE MET 7 6.702 -14.095 -7.683 44 HE3 MET 7 2HE MET 7 5.461 -12.975 -8.241 45 HA PRO 8 HA PRO 8 0.131 -16.721 -10.035 46 HB2 PRO 8 2HB PRO 8 -0.335 -17.676 -7.570 47 HB3 PRO 8 1HB PRO 8 -0.237 -18.747 -8.971 48 HG2 PRO 8 2HG PRO 8 1.805 -18.190 -6.864 49 HG3 PRO 8 1HG PRO 8 1.389 -19.725 -7.644 50 HD2 PRO 8 2HD PRO 8 3.550 -18.149 -8.328 51 HD3 PRO 8 1HD PRO 8 2.790 -19.340 -9.402 52 H ALA 9 H ALA 9 1.327 -14.558 -10.026 53 HA ALA 9 HA ALA 9 2.007 -13.497 -7.424 54 HB1 ALA 9 1HB ALA 9 2.789 -11.551 -8.621 55 HB2 ALA 9 2HB ALA 9 2.044 -12.136 -10.109 56 HB3 ALA 9 3HB ALA 9 3.395 -13.014 -9.396 57 H VAL 10 H VAL 10 0.600 -12.641 -6.140 58 HA VAL 10 HA VAL 10 -1.871 -11.472 -7.157 59 HB VAL 10 HB VAL 10 -0.891 -11.910 -4.327 60 HG11 VAL 10 1HG1 VAL 10 -3.169 -11.326 -3.631 61 HG12 VAL 10 2HG1 VAL 10 -3.567 -10.921 -5.301 62 HG13 VAL 10 3HG1 VAL 10 -2.360 -9.977 -4.429 63 HG21 VAL 10 3HG2 VAL 10 -2.612 -13.647 -4.237 64 HG22 VAL 10 1HG2 VAL 10 -1.422 -13.983 -5.494 65 HG23 VAL 10 2HG2 VAL 10 -3.007 -13.344 -5.928 66 H ASP 11 H ASP 11 -1.967 -9.368 -7.599 67 HA ASP 11 HA ASP 11 0.024 -7.610 -6.325 68 HB2 ASP 11 2HB ASP 11 0.281 -8.044 -8.822 69 HB3 ASP 11 1HB ASP 11 -1.218 -7.146 -9.036 70 H VAL 12 H VAL 12 -0.827 -6.177 -5.009 71 HA VAL 12 HA VAL 12 -3.687 -5.534 -5.273 72 HB VAL 12 HB VAL 12 -1.865 -5.211 -2.878 73 HG11 VAL 12 1HG1 VAL 12 -3.642 -3.570 -2.856 74 HG12 VAL 12 2HG1 VAL 12 -3.948 -4.802 -1.631 75 HG13 VAL 12 3HG1 VAL 12 -4.842 -4.827 -3.151 76 HG21 VAL 12 3HG2 VAL 12 -3.128 -7.081 -1.917 77 HG22 VAL 12 1HG2 VAL 12 -2.271 -7.556 -3.383 78 HG23 VAL 12 2HG2 VAL 12 -4.008 -7.261 -3.436 79 H GLU 13 H GLU 13 -4.317 -3.491 -5.733 80 HA GLU 13 HA GLU 13 -2.193 -1.471 -5.892 81 HB2 GLU 13 2HB GLU 13 -3.562 -0.351 -7.604 82 HB3 GLU 13 1HB GLU 13 -3.142 -1.991 -8.070 83 HG2 GLU 13 2HG GLU 13 -5.381 -2.735 -7.375 84 HG3 GLU 13 1HG GLU 13 -5.793 -1.068 -6.989 85 H ILE 14 H ILE 14 -2.238 0.016 -4.406 86 HA ILE 14 HA ILE 14 -4.814 0.722 -3.140 87 HB ILE 14 HB ILE 14 -2.058 0.956 -1.906 88 HG12 ILE 14 2HG1 ILE 14 -4.174 -1.177 -1.495 89 HG13 ILE 14 1HG1 ILE 14 -2.621 -1.411 -2.286 90 HG21 ILE 14 1HG2 ILE 14 -3.309 1.251 0.182 91 HG22 ILE 14 2HG2 ILE 14 -4.822 1.173 -0.722 92 HG23 ILE 14 3HG2 ILE 14 -3.694 2.501 -1.000 93 HD11 ILE 14 3HD1 ILE 14 -3.053 -0.711 0.611 94 HD12 ILE 14 1HD1 ILE 14 -1.484 -0.921 -0.172 95 HD13 ILE 14 2HD1 ILE 14 -2.590 -2.288 -0.029 96 H HIS 15 H HIS 15 -5.368 2.888 -3.156 97 HA HIS 15 HA HIS 15 -3.374 4.702 -4.355 98 HB2 HIS 15 2HB HIS 15 -6.365 4.688 -4.816 99 HB3 HIS 15 1HB HIS 15 -5.244 5.875 -5.469 100 HD1 HIS 15 1HD HIS 15 -6.580 2.468 -6.032 101 HD2 HIS 15 2HD HIS 15 -3.565 4.895 -7.542 102 HE1 HIS 15 1HE HIS 15 -5.833 1.367 -8.165 103 HE2 HIS 15 2HE HIS 15 -4.096 2.918 -9.126 104 H PHE 16 H PHE 16 -2.722 6.000 -2.788 105 HA PHE 16 HA PHE 16 -4.632 6.864 -0.743 106 HB2 PHE 16 2HB PHE 16 -1.616 7.046 -0.873 107 HB3 PHE 16 1HB PHE 16 -2.586 7.729 0.422 108 HD1 PHE 16 1HD PHE 16 -4.486 5.725 1.107 109 HD2 PHE 16 2HD PHE 16 -0.438 5.253 -0.102 110 HE1 PHE 16 1HE PHE 16 -4.370 3.603 2.343 111 HE2 PHE 16 2HE PHE 16 -0.316 3.125 1.126 112 HZ PHE 16 HZ PHE 16 -2.283 2.299 2.351 113 HA PRO 17 HA PRO 17 -4.788 10.860 -2.740 114 HB2 PRO 17 2HB PRO 17 -5.843 11.882 -0.220 115 HB3 PRO 17 1HB PRO 17 -6.637 11.767 -1.787 116 HG2 PRO 17 2HG PRO 17 -7.309 10.224 0.348 117 HG3 PRO 17 1HG PRO 17 -7.526 9.717 -1.336 118 HD2 PRO 17 2HD PRO 17 -5.429 8.928 0.630 119 HD3 PRO 17 1HD PRO 17 -6.199 7.971 -0.651 120 H LEU 18 H LEU 18 -3.108 12.134 -2.903 121 HA LEU 18 HA LEU 18 -0.819 11.689 -1.430 122 HB2 LEU 18 2HB LEU 18 -1.082 12.591 -3.778 123 HB3 LEU 18 1HB LEU 18 -1.353 14.164 -3.057 124 HG LEU 18 HG LEU 18 1.148 12.667 -2.383 125 HD11 LEU 18 1HD1 LEU 18 1.011 12.537 -4.804 126 HD12 LEU 18 2HD1 LEU 18 2.253 13.688 -4.318 127 HD13 LEU 18 3HD1 LEU 18 0.691 14.268 -4.897 128 HD21 LEU 18 3HD2 LEU 18 0.630 14.743 -1.194 129 HD22 LEU 18 1HD2 LEU 18 0.517 15.598 -2.733 130 HD23 LEU 18 2HD2 LEU 18 2.060 14.923 -2.210 131 H LYS 19 H LYS 19 -3.134 14.352 -1.075 132 HA LYS 19 HA LYS 19 -1.423 15.690 0.832 133 HB2 LYS 19 2HB LYS 19 -4.176 16.287 -0.226 134 HB3 LYS 19 1HB LYS 19 -3.474 17.199 1.105 135 HG2 LYS 19 2HG LYS 19 -1.540 17.739 -0.357 136 HG3 LYS 19 1HG LYS 19 -2.374 16.938 -1.686 137 HD2 LYS 19 2HD LYS 19 -3.792 19.096 -0.201 138 HD3 LYS 19 1HD LYS 19 -2.525 19.549 -1.337 139 HE2 LYS 19 2HE LYS 19 -4.289 19.576 -2.755 140 HE3 LYS 19 1HE LYS 19 -3.850 17.881 -2.905 141 HZ1 LYS 19 3HZ LYS 19 -6.213 18.118 -2.613 142 HZ2 LYS 19 1HZ LYS 19 -5.996 18.986 -1.174 143 HZ3 LYS 19 2HZ LYS 19 -5.560 17.350 -1.250 144 H ARG 20 H ARG 20 -3.991 13.383 0.934 145 HA ARG 20 HA ARG 20 -4.570 13.819 3.730 146 HB2 ARG 20 2HB ARG 20 -5.563 12.051 1.606 147 HB3 ARG 20 1HB ARG 20 -5.561 11.337 3.207 148 HG2 ARG 20 2HG ARG 20 -7.690 12.291 2.870 149 HG3 ARG 20 1HG ARG 20 -6.829 13.328 4.006 150 HD2 ARG 20 2HD ARG 20 -6.346 14.915 2.245 151 HD3 ARG 20 1HD ARG 20 -7.076 13.844 1.048 152 HE ARG 20 HE ARG 20 -8.867 14.527 3.176 153 HH11 ARG 20 1HH1 ARG 20 -7.565 15.678 0.119 154 HH12 ARG 20 2HH1 ARG 20 -8.977 16.631 -0.240 155 HH21 ARG 20 1HH2 ARG 20 -10.697 15.789 2.683 156 HH22 ARG 20 2HH2 ARG 20 -10.741 16.695 1.204 157 H ILE 21 H ILE 21 -2.612 11.563 1.837 158 HA ILE 21 HA ILE 21 -2.048 9.840 4.041 159 HB ILE 21 HB ILE 21 -1.860 9.071 1.716 160 HG12 ILE 21 2HG1 ILE 21 0.200 7.780 1.967 161 HG13 ILE 21 1HG1 ILE 21 0.780 8.905 3.188 162 HG21 ILE 21 1HG2 ILE 21 -0.947 11.052 0.674 163 HG22 ILE 21 2HG2 ILE 21 0.116 9.679 0.368 164 HG23 ILE 21 3HG2 ILE 21 0.549 10.877 1.588 165 HD11 ILE 21 3HD1 ILE 21 -0.981 8.222 4.691 166 HD12 ILE 21 1HD1 ILE 21 -0.069 6.816 4.141 167 HD13 ILE 21 2HD1 ILE 21 -1.657 7.161 3.454 168 H ALA 22 H ALA 22 -0.673 12.791 2.838 169 HA ALA 22 HA ALA 22 1.779 12.666 4.272 170 HB1 ALA 22 1HB ALA 22 0.258 15.085 3.300 171 HB2 ALA 22 2HB ALA 22 1.438 14.166 2.362 172 HB3 ALA 22 3HB ALA 22 1.949 15.049 3.799 173 H ALA 23 H ALA 23 -1.474 13.508 5.077 174 HA ALA 23 HA ALA 23 -0.862 15.072 7.405 175 HB1 ALA 23 1HB ALA 23 -3.280 14.988 7.811 176 HB2 ALA 23 2HB ALA 23 -3.456 13.804 6.517 177 HB3 ALA 23 3HB ALA 23 -2.920 15.444 6.147 178 H GLU 24 H GLU 24 -1.497 14.463 9.580 179 HA GLU 24 HA GLU 24 -0.626 11.764 10.175 180 HB2 GLU 24 2HB GLU 24 -1.354 14.025 12.042 181 HB3 GLU 24 1HB GLU 24 -0.590 12.511 12.509 182 HG2 GLU 24 2HG GLU 24 1.331 13.103 11.054 183 HG3 GLU 24 1HG GLU 24 0.578 14.672 10.773 184 H GLY 25 H GLY 25 -3.536 13.580 10.004 185 HA2 GLY 25 2HA GLY 25 -5.074 11.574 11.460 186 HA3 GLY 25 1HA GLY 25 -5.703 13.047 10.735 187 H TYR 26 H TYR 26 -3.691 10.581 9.246 188 HA TYR 26 HA TYR 26 -5.212 10.583 6.869 189 HB2 TYR 26 2HB TYR 26 -3.755 8.616 6.248 190 HB3 TYR 26 1HB TYR 26 -2.891 10.079 6.700 191 HD1 TYR 26 1HD TYR 26 -3.797 6.673 7.800 192 HD2 TYR 26 2HD TYR 26 -1.475 10.135 8.623 193 HE1 TYR 26 1HE TYR 26 -2.498 5.404 9.455 194 HE2 TYR 26 2HE TYR 26 -0.171 8.876 10.280 195 HH TYR 26 HH TYR 26 -0.319 5.480 10.539 196 H ALA 27 H ALA 27 -5.219 8.483 9.694 197 HA ALA 27 HA ALA 27 -6.715 6.377 8.509 198 HB1 ALA 27 1HB ALA 27 -6.990 5.536 10.764 199 HB2 ALA 27 2HB ALA 27 -6.453 7.078 11.428 200 HB3 ALA 27 3HB ALA 27 -5.329 6.072 10.515 201 H GLU 28 H GLU 28 -7.580 9.477 9.376 202 HA GLU 28 HA GLU 28 -10.347 8.810 9.999 203 HB2 GLU 28 2HB GLU 28 -8.882 11.454 9.935 204 HB3 GLU 28 1HB GLU 28 -10.571 11.255 10.389 205 HG2 GLU 28 2HG GLU 28 -10.013 10.035 12.326 206 HG3 GLU 28 1HG GLU 28 -8.345 9.821 11.799 207 H ASP 29 H ASP 29 -8.527 9.204 7.271 208 HA ASP 29 HA ASP 29 -10.452 10.729 5.743 209 HB2 ASP 29 2HB ASP 29 -8.145 10.982 5.098 210 HB3 ASP 29 1HB ASP 29 -7.971 9.240 4.875 211 H GLU 30 H GLU 30 -12.081 9.978 4.617 212 HA GLU 30 HA GLU 30 -13.072 7.412 5.253 213 HB2 GLU 30 2HB GLU 30 -14.342 9.596 4.698 214 HB3 GLU 30 1HB GLU 30 -14.117 9.127 3.016 215 HG2 GLU 30 2HG GLU 30 -16.281 8.413 3.732 216 HG3 GLU 30 1HG GLU 30 -15.264 6.991 3.504 217 H LEU 31 H LEU 31 -11.279 8.671 2.575 218 HA LEU 31 HA LEU 31 -11.970 6.572 0.765 219 HB2 LEU 31 2HB LEU 31 -11.368 8.923 0.123 220 HB3 LEU 31 1HB LEU 31 -9.725 8.585 0.631 221 HG LEU 31 HG LEU 31 -10.290 8.500 -1.880 222 HD11 LEU 31 1HD1 LEU 31 -8.887 6.193 -0.569 223 HD12 LEU 31 2HD1 LEU 31 -8.191 7.779 -0.889 224 HD13 LEU 31 3HD1 LEU 31 -8.664 6.737 -2.232 225 HD21 LEU 31 3HD2 LEU 31 -11.313 5.786 -1.048 226 HD22 LEU 31 1HD2 LEU 31 -11.081 6.353 -2.701 227 HD23 LEU 31 2HD2 LEU 31 -12.299 7.106 -1.673 228 H LEU 32 H LEU 32 -9.370 7.373 2.978 229 HA LEU 32 HA LEU 32 -7.602 5.272 2.334 230 HB2 LEU 32 2HB LEU 32 -7.596 7.460 3.922 231 HB3 LEU 32 1HB LEU 32 -7.747 6.195 5.121 232 HG LEU 32 HG LEU 32 -5.716 5.226 3.646 233 HD11 LEU 32 1HD1 LEU 32 -5.419 8.216 3.549 234 HD12 LEU 32 2HD1 LEU 32 -5.679 7.155 2.164 235 HD13 LEU 32 3HD1 LEU 32 -4.187 7.036 3.097 236 HD21 LEU 32 3HD2 LEU 32 -5.718 5.453 6.058 237 HD22 LEU 32 1HD2 LEU 32 -5.489 7.194 5.906 238 HD23 LEU 32 2HD2 LEU 32 -4.219 6.090 5.379 239 H LEU 33 H LEU 33 -10.292 5.621 4.550 240 HA LEU 33 HA LEU 33 -9.914 3.215 5.976 241 HB2 LEU 33 2HB LEU 33 -11.352 5.362 6.440 242 HB3 LEU 33 1HB LEU 33 -12.602 4.453 5.618 243 HG LEU 33 HG LEU 33 -12.701 4.290 8.085 244 HD11 LEU 33 1HD1 LEU 33 -12.999 1.876 8.217 245 HD12 LEU 33 2HD1 LEU 33 -12.124 1.685 6.697 246 HD13 LEU 33 3HD1 LEU 33 -13.674 2.526 6.723 247 HD21 LEU 33 3HD2 LEU 33 -10.149 2.722 7.846 248 HD22 LEU 33 1HD2 LEU 33 -11.066 3.045 9.315 249 HD23 LEU 33 2HD2 LEU 33 -10.265 4.368 8.469 250 H ASN 34 H ASN 34 -12.095 4.041 3.252 251 HA ASN 34 HA ASN 34 -13.199 1.402 3.264 252 HB2 ASN 34 2HB ASN 34 -14.621 2.049 1.531 253 HB3 ASN 34 1HB ASN 34 -14.367 3.539 2.424 254 HD21 ASN 34 1HD2 ASN 34 -13.369 5.242 1.438 255 HD22 ASN 34 2HD2 ASN 34 -12.945 5.242 -0.242 256 H GLN 35 H GLN 35 -10.617 2.977 1.465 257 HA GLN 35 HA GLN 35 -10.391 0.926 -0.481 258 HB2 GLN 35 2HB GLN 35 -8.600 2.097 -1.312 259 HB3 GLN 35 1HB GLN 35 -9.374 3.370 -0.376 260 HG2 GLN 35 2HG GLN 35 -7.816 2.895 1.473 261 HG3 GLN 35 1HG GLN 35 -6.987 1.744 0.430 262 HE21 GLN 35 1HE2 GLN 35 -7.858 5.091 0.837 263 HE22 GLN 35 2HE2 GLN 35 -6.608 5.744 -0.154 264 H MET 36 H MET 36 -8.856 1.478 2.666 265 HA MET 36 HA MET 36 -7.386 -1.019 2.420 266 HB2 MET 36 2HB MET 36 -7.431 1.053 4.615 267 HB3 MET 36 1HB MET 36 -6.466 -0.420 4.656 268 HG2 MET 36 2HG MET 36 -6.216 1.902 2.771 269 HG3 MET 36 1HG MET 36 -5.037 1.313 3.940 270 HE1 MET 36 3HE MET 36 -3.617 -0.957 3.612 271 HE2 MET 36 1HE MET 36 -3.957 -2.103 2.318 272 HE3 MET 36 2HE MET 36 -5.164 -1.800 3.568 273 H GLY 37 H GLY 37 -10.469 -0.233 3.234 274 HA2 GLY 37 2HA GLY 37 -10.747 -2.550 4.990 275 HA3 GLY 37 1HA GLY 37 -12.050 -1.521 4.405 276 H LYS 38 H LYS 38 -11.034 -1.632 1.663 277 HA LYS 38 HA LYS 38 -12.422 -3.980 0.778 278 HB2 LYS 38 2HB LYS 38 -10.892 -1.832 -0.669 279 HB3 LYS 38 1HB LYS 38 -11.688 -3.162 -1.501 280 HG2 LYS 38 2HG LYS 38 -13.842 -2.441 -0.626 281 HG3 LYS 38 1HG LYS 38 -13.055 -1.122 0.244 282 HD2 LYS 38 2HD LYS 38 -12.293 -0.171 -1.871 283 HD3 LYS 38 1HD LYS 38 -13.051 -1.499 -2.749 284 HE2 LYS 38 2HE LYS 38 -14.486 0.512 -1.022 285 HE3 LYS 38 1HE LYS 38 -14.424 0.533 -2.784 286 HZ1 LYS 38 3HZ LYS 38 -15.644 -1.589 -1.104 287 HZ2 LYS 38 1HZ LYS 38 -15.542 -1.625 -2.792 288 HZ3 LYS 38 2HZ LYS 38 -16.476 -0.443 -2.027 289 H VAL 39 H VAL 39 -9.172 -2.836 -0.172 290 HA VAL 39 HA VAL 39 -8.533 -5.548 -0.996 291 HB VAL 39 HB VAL 39 -6.402 -4.530 -1.835 292 HG11 VAL 39 1HG1 VAL 39 -8.968 -3.243 -2.764 293 HG12 VAL 39 2HG1 VAL 39 -8.326 -4.798 -3.297 294 HG13 VAL 39 3HG1 VAL 39 -7.464 -3.309 -3.681 295 HG21 VAL 39 3HG2 VAL 39 -6.224 -2.662 -0.280 296 HG22 VAL 39 1HG2 VAL 39 -7.694 -1.950 -0.948 297 HG23 VAL 39 2HG2 VAL 39 -6.247 -2.081 -1.946 298 H ASN 40 H ASN 40 -8.850 -5.749 1.572 299 HA ASN 40 HA ASN 40 -6.162 -5.822 2.723 300 HB2 ASN 40 2HB ASN 40 -7.141 -3.651 3.282 301 HB3 ASN 40 1HB ASN 40 -8.516 -4.465 4.030 302 HD21 ASN 40 1HD2 ASN 40 -5.065 -4.015 4.195 303 HD22 ASN 40 2HD2 ASN 40 -4.903 -4.352 5.881 304 H ASP 41 H ASP 41 -9.431 -7.024 2.635 305 HA ASP 41 HA ASP 41 -8.976 -8.733 4.941 306 HB2 ASP 41 2HB ASP 41 -11.241 -9.351 4.830 307 HB3 ASP 41 1HB ASP 41 -11.239 -7.664 4.340 308 H THR 42 H THR 42 -8.593 -8.821 1.566 309 HA THR 42 HA THR 42 -7.838 -11.657 1.736 310 HB THR 42 HB THR 42 -8.574 -11.655 -0.789 311 HG1 THR 42 1HG THR 42 -10.597 -9.934 0.106 312 HG21 THR 42 3HG2 THR 42 -10.817 -12.443 -0.128 313 HG22 THR 42 1HG2 THR 42 -10.558 -11.784 1.488 314 HG23 THR 42 2HG2 THR 42 -9.551 -13.109 0.904 315 HA PRO 43 HA PRO 43 -4.574 -9.059 -0.351 316 HB2 PRO 43 2HB PRO 43 -3.097 -8.150 1.618 317 HB3 PRO 43 1HB PRO 43 -4.723 -7.492 1.376 318 HG2 PRO 43 2HG PRO 43 -3.745 -9.419 3.427 319 HG3 PRO 43 1HG PRO 43 -4.994 -8.174 3.566 320 HD2 PRO 43 2HD PRO 43 -5.358 -10.952 3.027 321 HD3 PRO 43 1HD PRO 43 -6.589 -9.675 3.054 322 H GLU 44 H GLU 44 -4.619 -12.009 0.615 323 HA GLU 44 HA GLU 44 -3.234 -13.796 0.427 324 HB2 GLU 44 2HB GLU 44 -2.243 -12.714 -1.498 325 HB3 GLU 44 1HB GLU 44 -1.214 -11.737 -0.463 326 HG2 GLU 44 2HG GLU 44 0.106 -13.481 -1.399 327 HG3 GLU 44 1HG GLU 44 -0.112 -13.825 0.315 328 H GLU 45 H GLU 45 -1.357 -11.106 1.827 329 HA GLU 45 HA GLU 45 0.200 -12.900 3.422 330 HB2 GLU 45 2HB GLU 45 1.146 -10.822 2.568 331 HB3 GLU 45 1HB GLU 45 0.001 -9.886 3.510 332 HG2 GLU 45 2HG GLU 45 0.999 -10.907 5.562 333 HG3 GLU 45 1HG GLU 45 2.236 -11.612 4.531 334 H GLU 46 H GLU 46 -1.336 -10.064 4.907 335 HA GLU 46 HA GLU 46 -2.697 -11.878 6.777 336 HB2 GLU 46 2HB GLU 46 -1.183 -9.356 7.462 337 HB3 GLU 46 1HB GLU 46 -2.264 -10.179 8.574 338 HG2 GLU 46 2HG GLU 46 -0.847 -12.174 8.456 339 HG3 GLU 46 1HG GLU 46 0.241 -11.325 7.361 340 H GLY 47 H GLY 47 -2.774 -8.428 7.169 341 HA2 GLY 47 2HA GLY 47 -4.685 -7.557 5.463 342 HA3 GLY 47 1HA GLY 47 -5.616 -8.379 6.704 343 H MET 48 H MET 48 -5.442 -7.565 8.903 344 HA MET 48 HA MET 48 -5.752 -4.834 9.063 345 HB2 MET 48 2HB MET 48 -6.649 -6.354 10.741 346 HB3 MET 48 1HB MET 48 -5.023 -6.739 11.281 347 HG2 MET 48 2HG MET 48 -6.142 -5.164 12.763 348 HG3 MET 48 1HG MET 48 -4.679 -4.495 12.039 349 HE1 MET 48 3HE MET 48 -4.842 -2.122 12.021 350 HE2 MET 48 1HE MET 48 -6.086 -2.344 13.246 351 HE3 MET 48 2HE MET 48 -6.338 -1.188 11.935 352 HA PRO 49 HA PRO 49 -1.280 -4.368 10.797 353 HB2 PRO 49 2HB PRO 49 0.528 -6.286 10.130 354 HB3 PRO 49 1HB PRO 49 -0.407 -6.337 11.629 355 HG2 PRO 49 2HG PRO 49 -0.854 -7.800 9.065 356 HG3 PRO 49 1HG PRO 49 -1.026 -8.375 10.729 357 HD2 PRO 49 2HD PRO 49 -3.133 -7.647 9.195 358 HD3 PRO 49 1HD PRO 49 -3.111 -7.493 10.953 359 H LEU 50 H LEU 50 -1.914 -6.017 7.818 360 HA LEU 50 HA LEU 50 0.047 -4.991 6.132 361 HB2 LEU 50 2HB LEU 50 -2.588 -6.233 5.907 362 HB3 LEU 50 1HB LEU 50 -2.229 -5.144 4.586 363 HG LEU 50 HG LEU 50 -0.315 -7.294 5.402 364 HD11 LEU 50 1HD1 LEU 50 -2.327 -8.464 4.964 365 HD12 LEU 50 2HD1 LEU 50 -1.318 -8.598 3.524 366 HD13 LEU 50 3HD1 LEU 50 -2.666 -7.466 3.553 367 HD21 LEU 50 3HD2 LEU 50 0.496 -5.502 3.933 368 HD22 LEU 50 1HD2 LEU 50 -0.841 -5.824 2.824 369 HD23 LEU 50 2HD2 LEU 50 0.410 -7.045 3.076 370 H ARG 51 H ARG 51 -3.158 -3.752 6.939 371 HA ARG 51 HA ARG 51 -2.999 -1.420 5.381 372 HB2 ARG 51 2HB ARG 51 -5.142 -1.859 5.980 373 HB3 ARG 51 1HB ARG 51 -4.713 -2.433 7.581 374 HG2 ARG 51 2HG ARG 51 -4.409 -0.108 8.308 375 HG3 ARG 51 1HG ARG 51 -4.874 0.442 6.693 376 HD2 ARG 51 2HD ARG 51 -7.067 -0.382 6.931 377 HD3 ARG 51 1HD ARG 51 -6.638 -1.343 8.343 378 HE ARG 51 HE ARG 51 -6.180 1.353 8.943 379 HH11 ARG 51 1HH1 ARG 51 -8.860 -0.762 8.195 380 HH12 ARG 51 2HH1 ARG 51 -9.984 0.079 9.213 381 HH21 ARG 51 1HH2 ARG 51 -7.655 2.465 10.308 382 HH22 ARG 51 2HH2 ARG 51 -9.294 1.911 10.416 383 H ALA 52 H ALA 52 -2.313 -2.021 8.796 384 HA ALA 52 HA ALA 52 -1.597 0.581 9.473 385 HB1 ALA 52 1HB ALA 52 -0.481 -0.404 11.397 386 HB2 ALA 52 2HB ALA 52 -0.551 -1.995 10.642 387 HB3 ALA 52 3HB ALA 52 -2.039 -1.176 11.113 388 H TRP 53 H TRP 53 0.524 -2.122 8.370 389 HA TRP 53 HA TRP 53 2.821 -0.434 8.578 390 HB2 TRP 53 2HB TRP 53 4.169 -2.232 7.930 391 HB3 TRP 53 1HB TRP 53 2.885 -2.929 8.886 392 HD1 TRP 53 HD TRP 53 1.724 -4.989 7.894 393 HE1 TRP 53 1HE TRP 53 1.805 -6.229 5.636 394 HE3 TRP 53 3HE TRP 53 4.418 -1.596 5.183 395 HZ2 TRP 53 2HZ TRP 53 2.875 -5.826 3.070 396 HZ3 TRP 53 3HZ TRP 53 4.950 -2.114 2.844 397 HH2 TRP 53 HH TRP 53 4.180 -4.184 1.802 398 H VAL 54 H VAL 54 0.826 -1.509 5.873 399 HA VAL 54 HA VAL 54 2.434 -0.468 3.821 400 HB VAL 54 HB VAL 54 -0.441 -1.178 4.069 401 HG11 VAL 54 1HG1 VAL 54 -0.890 -0.533 1.755 402 HG12 VAL 54 2HG1 VAL 54 0.720 0.176 1.630 403 HG13 VAL 54 3HG1 VAL 54 -0.472 0.880 2.721 404 HG21 VAL 54 3HG2 VAL 54 1.744 -2.064 2.199 405 HG22 VAL 54 1HG2 VAL 54 0.112 -2.726 2.259 406 HG23 VAL 54 2HG2 VAL 54 1.193 -2.919 3.640 407 H ILE 55 H ILE 55 -0.401 0.975 5.460 408 HA ILE 55 HA ILE 55 -0.231 3.487 4.234 409 HB ILE 55 HB ILE 55 -1.305 2.699 6.939 410 HG12 ILE 55 2HG1 ILE 55 -2.701 3.366 4.343 411 HG13 ILE 55 1HG1 ILE 55 -2.431 1.738 4.961 412 HG21 ILE 55 1HG2 ILE 55 -0.704 5.055 6.978 413 HG22 ILE 55 2HG2 ILE 55 -2.453 4.837 7.000 414 HG23 ILE 55 3HG2 ILE 55 -1.645 5.330 5.509 415 HD11 ILE 55 3HD1 ILE 55 -4.067 3.871 6.307 416 HD12 ILE 55 1HD1 ILE 55 -3.823 2.226 6.887 417 HD13 ILE 55 2HD1 ILE 55 -4.702 2.512 5.384 418 H LYS 56 H LYS 56 1.330 2.247 7.165 419 HA LYS 56 HA LYS 56 2.438 4.681 8.035 420 HB2 LYS 56 2HB LYS 56 2.358 2.110 8.997 421 HB3 LYS 56 1HB LYS 56 4.054 2.290 8.576 422 HG2 LYS 56 2HG LYS 56 2.506 4.127 10.391 423 HG3 LYS 56 1HG LYS 56 3.607 2.855 10.915 424 HD2 LYS 56 2HD LYS 56 5.449 3.995 9.753 425 HD3 LYS 56 1HD LYS 56 4.338 5.277 9.269 426 HE2 LYS 56 2HE LYS 56 3.917 5.797 11.621 427 HE3 LYS 56 1HE LYS 56 5.023 4.513 12.105 428 HZ1 LYS 56 3HZ LYS 56 5.740 6.953 10.573 429 HZ2 LYS 56 1HZ LYS 56 6.810 5.703 10.968 430 HZ3 LYS 56 2HZ LYS 56 6.118 6.643 12.190 431 H CYS 57 H CYS 57 3.848 2.051 6.086 432 HA CYS 57 HA CYS 57 6.354 3.288 5.705 433 HB2 CYS 57 2HB CYS 57 4.966 1.246 3.959 434 HB3 CYS 57 1HB CYS 57 6.679 1.650 3.900 435 HG CYS 57 HG CYS 57 5.009 0.056 6.416 436 H ALA 58 H ALA 58 3.390 3.292 3.766 437 HA ALA 58 HA ALA 58 4.377 4.786 1.598 438 HB1 ALA 58 1HB ALA 58 2.247 3.578 1.536 439 HB2 ALA 58 2HB ALA 58 2.042 5.271 1.092 440 HB3 ALA 58 3HB ALA 58 1.569 4.716 2.698 441 H HIS 59 H HIS 59 2.913 5.742 4.659 442 HA HIS 59 HA HIS 59 2.792 8.509 4.220 443 HB2 HIS 59 2HB HIS 59 1.755 7.189 6.129 444 HB3 HIS 59 1HB HIS 59 3.346 7.176 6.874 445 HD1 HIS 59 1HD HIS 59 1.446 8.450 8.618 446 HD2 HIS 59 2HD HIS 59 3.161 10.577 5.497 447 HE1 HIS 59 1HE HIS 59 1.084 10.871 9.179 448 HE2 HIS 59 2HE HIS 59 2.018 12.139 7.215 449 H GLU 60 H GLU 60 5.321 6.515 5.725 450 HA GLU 60 HA GLU 60 7.092 8.614 6.302 451 HB2 GLU 60 2HB GLU 60 7.752 5.725 5.709 452 HB3 GLU 60 1HB GLU 60 8.813 6.880 6.507 453 HG2 GLU 60 2HG GLU 60 6.200 5.812 7.538 454 HG3 GLU 60 1HG GLU 60 7.815 5.446 8.145 455 H ALA 61 H ALA 61 6.879 6.465 3.485 456 HA ALA 61 HA ALA 61 9.148 7.466 2.150 457 HB1 ALA 61 1HB ALA 61 8.088 5.331 1.583 458 HB2 ALA 61 2HB ALA 61 8.249 6.373 0.169 459 HB3 ALA 61 3HB ALA 61 6.683 6.198 0.961 460 H LEU 62 H LEU 62 5.724 8.338 1.951 461 HA LEU 62 HA LEU 62 5.924 10.182 -0.150 462 HB2 LEU 62 2HB LEU 62 3.839 9.168 0.719 463 HB3 LEU 62 1HB LEU 62 3.966 10.159 2.153 464 HG LEU 62 HG LEU 62 2.278 10.925 0.481 465 HD11 LEU 62 1HD1 LEU 62 3.165 12.493 2.112 466 HD12 LEU 62 2HD1 LEU 62 2.844 13.290 0.571 467 HD13 LEU 62 3HD1 LEU 62 4.499 12.882 1.025 468 HD21 LEU 62 3HD2 LEU 62 4.697 11.569 -1.189 469 HD22 LEU 62 1HD2 LEU 62 3.039 12.061 -1.533 470 HD23 LEU 62 2HD2 LEU 62 3.469 10.352 -1.545 471 H GLU 63 H GLU 63 6.137 10.648 3.365 472 HA GLU 63 HA GLU 63 6.500 13.486 3.101 473 HB2 GLU 63 2HB GLU 63 6.712 11.569 5.422 474 HB3 GLU 63 1HB GLU 63 7.056 13.286 5.587 475 HG2 GLU 63 2HG GLU 63 4.448 12.356 4.445 476 HG3 GLU 63 1HG GLU 63 4.710 12.416 6.188 477 H LYS 64 H LYS 64 8.621 10.705 3.305 478 HA LYS 64 HA LYS 64 11.012 12.047 3.965 479 HB2 LYS 64 2HB LYS 64 10.716 9.572 3.998 480 HB3 LYS 64 1HB LYS 64 10.681 9.577 2.243 481 HG2 LYS 64 2HG LYS 64 13.039 10.707 3.690 482 HG3 LYS 64 1HG LYS 64 12.867 8.964 3.502 483 HD2 LYS 64 2HD LYS 64 12.705 9.276 1.057 484 HD3 LYS 64 1HD LYS 64 12.952 11.009 1.281 485 HE2 LYS 64 2HE LYS 64 14.900 8.853 2.097 486 HE3 LYS 64 1HE LYS 64 15.015 9.819 0.627 487 HZ1 LYS 64 3HZ LYS 64 16.438 10.690 2.363 488 HZ2 LYS 64 1HZ LYS 64 15.116 10.872 3.403 489 HZ3 LYS 64 2HZ LYS 64 15.218 11.802 1.997 490 H ASN 65 H ASN 65 9.632 11.163 0.819 491 HA ASN 65 HA ASN 65 11.075 13.434 -0.325 492 HB2 ASN 65 2HB ASN 65 11.339 12.059 -2.460 493 HB3 ASN 65 1HB ASN 65 12.404 11.664 -1.124 494 HD21 ASN 65 1HD2 ASN 65 9.029 10.684 -1.552 495 HD22 ASN 65 2HD2 ASN 65 9.355 8.988 -1.665 496 HA PRO 66 HA PRO 66 6.526 13.611 -0.994 497 HB2 PRO 66 2HB PRO 66 6.221 16.212 -0.370 498 HB3 PRO 66 1HB PRO 66 6.375 14.963 0.864 499 HG2 PRO 66 2HG PRO 66 8.471 16.814 -0.221 500 HG3 PRO 66 1HG PRO 66 8.111 16.405 1.468 501 HD2 PRO 66 2HD PRO 66 10.129 15.237 0.093 502 HD3 PRO 66 1HD PRO 66 9.210 14.382 1.344 503 H LYS 67 H LYS 67 8.443 13.659 -3.074 504 HA LYS 67 HA LYS 67 7.174 15.601 -4.889 505 HB2 LYS 67 2HB LYS 67 10.021 14.571 -4.916 506 HB3 LYS 67 1HB LYS 67 9.305 15.536 -6.201 507 HG2 LYS 67 2HG LYS 67 9.029 17.406 -4.708 508 HG3 LYS 67 1HG LYS 67 9.599 16.443 -3.344 509 HD2 LYS 67 2HD LYS 67 11.249 17.069 -5.792 510 HD3 LYS 67 1HD LYS 67 11.311 17.991 -4.289 511 HE2 LYS 67 2HE LYS 67 11.972 15.939 -3.091 512 HE3 LYS 67 1HE LYS 67 11.969 15.064 -4.620 513 HZ1 LYS 67 3HZ LYS 67 13.700 17.388 -3.980 514 HZ2 LYS 67 1HZ LYS 67 13.718 16.503 -5.422 515 HZ3 LYS 67 2HZ LYS 67 14.195 15.772 -3.974 516 H ILE 68 H ILE 68 7.336 12.490 -3.981 517 HA ILE 68 HA ILE 68 7.565 11.208 -6.560 518 HB ILE 68 HB ILE 68 7.067 9.128 -5.359 519 HG12 ILE 68 2HG1 ILE 68 6.936 10.822 -2.847 520 HG13 ILE 68 1HG1 ILE 68 5.527 10.157 -3.668 521 HG21 ILE 68 1HG2 ILE 68 9.171 10.848 -4.071 522 HG22 ILE 68 2HG2 ILE 68 9.354 9.867 -5.525 523 HG23 ILE 68 3HG2 ILE 68 9.087 9.091 -3.963 524 HD11 ILE 68 3HD1 ILE 68 6.160 8.805 -1.763 525 HD12 ILE 68 1HD1 ILE 68 7.770 8.576 -2.444 526 HD13 ILE 68 2HD1 ILE 68 6.363 7.904 -3.265 527 H ARG 69 H ARG 69 5.773 9.293 -6.638 528 HA ARG 69 HA ARG 69 3.118 10.478 -6.381 529 HB2 ARG 69 2HB ARG 69 2.584 9.799 -8.748 530 HB3 ARG 69 1HB ARG 69 3.646 11.187 -8.573 531 HG2 ARG 69 2HG ARG 69 5.476 10.065 -9.383 532 HG3 ARG 69 1HG ARG 69 4.842 8.483 -8.921 533 HD2 ARG 69 2HD ARG 69 3.647 10.200 -11.085 534 HD3 ARG 69 1HD ARG 69 4.844 8.939 -11.383 535 HE ARG 69 HE ARG 69 3.207 7.354 -10.425 536 HH11 ARG 69 1HH1 ARG 69 2.039 10.418 -11.669 537 HH12 ARG 69 2HH1 ARG 69 0.446 9.813 -11.982 538 HH21 ARG 69 1HH2 ARG 69 1.146 6.573 -10.829 539 HH22 ARG 69 2HH2 ARG 69 -0.066 7.620 -11.506 540 H GLU 70 H GLU 70 5.164 7.708 -6.571 541 HA GLU 70 HA GLU 70 3.148 6.133 -5.330 542 HB2 GLU 70 2HB GLU 70 3.086 4.344 -7.062 543 HB3 GLU 70 1HB GLU 70 2.329 5.855 -7.558 544 HG2 GLU 70 2HG GLU 70 4.384 6.428 -8.804 545 HG3 GLU 70 1HG GLU 70 5.052 4.856 -8.369 546 H VAL 71 H VAL 71 3.925 4.041 -4.637 547 HA VAL 71 HA VAL 71 6.825 3.654 -4.864 548 HB VAL 71 HB VAL 71 6.936 3.002 -2.460 549 HG11 VAL 71 1HG1 VAL 71 6.121 5.851 -3.007 550 HG12 VAL 71 2HG1 VAL 71 7.745 5.178 -3.142 551 HG13 VAL 71 3HG1 VAL 71 6.966 5.294 -1.564 552 HG21 VAL 71 3HG2 VAL 71 4.180 4.218 -2.359 553 HG22 VAL 71 1HG2 VAL 71 5.165 3.839 -0.946 554 HG23 VAL 71 2HG2 VAL 71 4.619 2.545 -2.011 555 H TYR 72 H TYR 72 7.505 1.469 -4.358 556 HA TYR 72 HA TYR 72 5.364 -0.430 -5.038 557 HB2 TYR 72 2HB TYR 72 8.316 -0.626 -5.692 558 HB3 TYR 72 1HB TYR 72 7.047 -1.723 -6.234 559 HD1 TYR 72 2HD TYR 72 5.300 -0.891 -7.808 560 HD2 TYR 72 1HD TYR 72 8.724 1.433 -6.831 561 HE1 TYR 72 2HE TYR 72 4.865 0.555 -9.748 562 HE2 TYR 72 1HE TYR 72 8.292 2.891 -8.764 563 HH TYR 72 HH TYR 72 5.374 2.951 -10.394 564 H LEU 73 H LEU 73 4.844 -1.803 -3.505 565 HA LEU 73 HA LEU 73 6.759 -2.189 -1.315 566 HB2 LEU 73 2HB LEU 73 3.792 -1.980 -1.395 567 HB3 LEU 73 1HB LEU 73 4.539 -2.928 -0.123 568 HG LEU 73 HG LEU 73 5.036 0.000 -0.674 569 HD11 LEU 73 1HD1 LEU 73 3.923 0.336 1.475 570 HD12 LEU 73 2HD1 LEU 73 3.609 -1.396 1.588 571 HD13 LEU 73 3HD1 LEU 73 2.851 -0.442 0.314 572 HD21 LEU 73 3HD2 LEU 73 6.248 -0.184 1.549 573 HD22 LEU 73 1HD2 LEU 73 7.058 -0.895 0.152 574 HD23 LEU 73 2HD2 LEU 73 6.219 -1.933 1.302 575 H LYS 74 H LYS 74 7.302 -4.095 -0.596 576 HA LYS 74 HA LYS 74 6.065 -6.485 -1.774 577 HB2 LYS 74 2HB LYS 74 8.369 -6.161 -2.570 578 HB3 LYS 74 1HB LYS 74 8.934 -6.051 -0.910 579 HG2 LYS 74 2HG LYS 74 9.458 -8.216 -1.765 580 HG3 LYS 74 1HG LYS 74 8.192 -8.386 -0.551 581 HD2 LYS 74 2HD LYS 74 6.517 -8.561 -2.317 582 HD3 LYS 74 1HD LYS 74 7.769 -8.346 -3.539 583 HE2 LYS 74 2HE LYS 74 7.604 -10.604 -1.551 584 HE3 LYS 74 1HE LYS 74 7.148 -10.698 -3.253 585 HZ1 LYS 74 3HZ LYS 74 9.878 -10.030 -2.289 586 HZ2 LYS 74 1HZ LYS 74 9.402 -10.268 -3.893 587 HZ3 LYS 74 2HZ LYS 74 9.396 -11.565 -2.810 588 HA PRO 75 HA PRO 75 4.354 -7.203 2.320 589 HB2 PRO 75 2HB PRO 75 5.021 -9.946 1.355 590 HB3 PRO 75 1HB PRO 75 3.550 -9.358 2.137 591 HG2 PRO 75 2HG PRO 75 3.817 -9.708 -0.556 592 HG3 PRO 75 1HG PRO 75 2.679 -8.579 0.189 593 HD2 PRO 75 2HD PRO 75 4.992 -7.995 -1.418 594 HD3 PRO 75 1HD PRO 75 3.813 -6.869 -0.740 595 H ARG 76 H ARG 76 5.095 -7.596 4.304 596 HA ARG 76 HA ARG 76 7.860 -7.802 4.837 597 HB2 ARG 76 2HB ARG 76 5.552 -8.396 6.701 598 HB3 ARG 76 1HB ARG 76 7.206 -8.056 7.181 599 HG2 ARG 76 2HG ARG 76 6.991 -5.792 6.234 600 HG3 ARG 76 1HG ARG 76 5.305 -6.140 5.845 601 HD2 ARG 76 2HD ARG 76 6.538 -6.119 8.600 602 HD3 ARG 76 1HD ARG 76 5.470 -4.889 7.928 603 HE ARG 76 HE ARG 76 4.255 -7.463 7.878 604 HH11 ARG 76 1HH1 ARG 76 5.013 -4.786 9.998 605 HH12 ARG 76 2HH1 ARG 76 3.706 -5.117 11.090 606 HH21 ARG 76 1HH2 ARG 76 2.546 -7.913 9.328 607 HH22 ARG 76 2HH2 ARG 76 2.328 -6.908 10.728 608 H ALA 77 H ALA 77 5.232 -10.108 4.635 609 HA ALA 77 HA ALA 77 6.922 -12.360 5.300 610 HB1 ALA 77 1HB ALA 77 4.179 -12.308 4.032 611 HB2 ALA 77 2HB ALA 77 4.504 -12.417 5.763 612 HB3 ALA 77 3HB ALA 77 4.998 -13.727 4.689 613 H VAL 78 H VAL 78 8.542 -11.552 3.746 614 HA VAL 78 HA VAL 78 8.184 -11.435 0.980 615 HB VAL 78 HB VAL 78 10.725 -12.280 2.381 616 HG11 VAL 78 1HG1 VAL 78 10.257 -10.874 -0.246 617 HG12 VAL 78 2HG1 VAL 78 10.798 -12.540 -0.035 618 HG13 VAL 78 3HG1 VAL 78 11.832 -11.205 0.472 619 HG21 VAL 78 3HG2 VAL 78 9.864 -10.265 3.432 620 HG22 VAL 78 1HG2 VAL 78 9.683 -9.499 1.855 621 HG23 VAL 78 2HG2 VAL 78 11.289 -9.891 2.463 622 H LYS 79 H LYS 79 8.434 -14.137 3.093 623 HA LYS 79 HA LYS 79 9.359 -16.142 1.403 624 HB2 LYS 79 2HB LYS 79 8.987 -16.346 3.863 625 HB3 LYS 79 1HB LYS 79 7.260 -16.452 3.551 626 HG2 LYS 79 2HG LYS 79 7.609 -18.493 2.263 627 HG3 LYS 79 1HG LYS 79 9.346 -18.382 2.550 628 HD2 LYS 79 2HD LYS 79 7.218 -18.712 4.663 629 HD3 LYS 79 1HD LYS 79 8.287 -19.979 4.066 630 HE2 LYS 79 2HE LYS 79 9.126 -17.471 5.516 631 HE3 LYS 79 1HE LYS 79 9.078 -19.096 6.194 632 HZ1 LYS 79 3HZ LYS 79 10.777 -19.773 4.625 633 HZ2 LYS 79 1HZ LYS 79 11.317 -18.455 5.535 634 HZ3 LYS 79 2HZ LYS 79 10.808 -18.231 3.939 635 H ASN 80 H ASN 80 6.304 -14.507 1.430 636 HA ASN 80 HA ASN 80 4.706 -16.431 0.147 637 HB2 ASN 80 2HB ASN 80 4.603 -13.417 0.043 638 HB3 ASN 80 1HB ASN 80 3.398 -14.457 -0.705 639 HD21 ASN 80 1HD2 ASN 80 3.131 -12.483 1.390 640 HD22 ASN 80 2HD2 ASN 80 2.452 -13.321 2.727 641 H SER 81 H SER 81 6.965 -14.042 -1.037 642 HA SER 81 HA SER 81 8.161 -13.867 -2.938 643 HB2 SER 81 2HB SER 81 6.896 -16.483 -3.770 644 HB3 SER 81 1HB SER 81 8.340 -15.750 -4.462 645 HG SER 81 HG SER 81 8.045 -16.609 -1.766 646 H SER 82 H SER 82 4.928 -15.136 -3.769 647 HA SER 82 HA SER 82 4.958 -13.452 -6.155 648 HB2 SER 82 2HB SER 82 3.025 -15.643 -5.367 649 HB3 SER 82 1HB SER 82 3.151 -14.873 -6.947 650 HG SER 82 HG SER 82 4.724 -16.829 -5.802 651 H VAL 83 H VAL 83 4.664 -11.817 -4.085 652 HA VAL 83 HA VAL 83 1.934 -10.856 -4.536 653 HB VAL 83 HB VAL 83 2.650 -9.930 -1.971 654 HG11 VAL 83 1HG1 VAL 83 0.558 -10.981 -1.300 655 HG12 VAL 83 2HG1 VAL 83 0.519 -11.864 -2.827 656 HG13 VAL 83 3HG1 VAL 83 0.406 -10.102 -2.821 657 HG21 VAL 83 3HG2 VAL 83 2.842 -12.921 -2.164 658 HG22 VAL 83 1HG2 VAL 83 2.664 -12.014 -0.658 659 HG23 VAL 83 2HG2 VAL 83 4.105 -11.797 -1.658 660 H GLN 84 H GLN 84 1.898 -8.754 -5.062 661 HA GLN 84 HA GLN 84 4.076 -7.085 -4.066 662 HB2 GLN 84 2HB GLN 84 3.026 -6.886 -6.894 663 HB3 GLN 84 1HB GLN 84 4.255 -5.866 -6.171 664 HG2 GLN 84 2HG GLN 84 5.523 -7.301 -7.425 665 HG3 GLN 84 1HG GLN 84 5.554 -8.092 -5.848 666 HE21 GLN 84 1HE2 GLN 84 2.762 -8.101 -7.948 667 HE22 GLN 84 2HE2 GLN 84 2.824 -9.777 -8.351 668 H PHE 85 H PHE 85 3.507 -5.015 -3.541 669 HA PHE 85 HA PHE 85 0.653 -4.362 -3.830 670 HB2 PHE 85 2HB PHE 85 2.561 -3.869 -1.561 671 HB3 PHE 85 1HB PHE 85 1.135 -2.862 -1.776 672 HD1 PHE 85 2HD PHE 85 2.073 -6.473 -1.598 673 HD2 PHE 85 1HD PHE 85 -0.777 -3.456 -0.661 674 HE1 PHE 85 2HE PHE 85 0.737 -8.125 -0.354 675 HE2 PHE 85 1HE PHE 85 -2.115 -5.101 0.584 676 HZ PHE 85 HZ PHE 85 -1.355 -7.440 0.746 677 H HIS 86 H HIS 86 0.232 -2.668 -5.018 678 HA HIS 86 HA HIS 86 2.415 -0.815 -5.666 679 HB2 HIS 86 2HB HIS 86 -0.090 -1.628 -7.102 680 HB3 HIS 86 1HB HIS 86 0.644 -0.067 -7.451 681 HD1 HIS 86 1HD HIS 86 0.896 -3.640 -8.247 682 HD2 HIS 86 2HD HIS 86 3.341 -0.279 -8.474 683 HE1 HIS 86 1HE HIS 86 2.776 -4.261 -9.791 684 HE2 HIS 86 2HE HIS 86 4.143 -2.166 -10.046 685 H VAL 87 H VAL 87 2.444 0.775 -4.197 686 HA VAL 87 HA VAL 87 -0.105 1.917 -3.323 687 HB VAL 87 HB VAL 87 2.707 2.365 -2.317 688 HG11 VAL 87 1HG1 VAL 87 0.111 3.525 -1.313 689 HG12 VAL 87 2HG1 VAL 87 1.401 4.415 -2.122 690 HG13 VAL 87 3HG1 VAL 87 1.684 3.697 -0.536 691 HG21 VAL 87 3HG2 VAL 87 0.329 0.969 -1.099 692 HG22 VAL 87 1HG2 VAL 87 1.859 1.269 -0.279 693 HG23 VAL 87 2HG2 VAL 87 1.807 0.208 -1.686 694 H ILE 88 H ILE 88 -0.872 3.473 -4.510 695 HA ILE 88 HA ILE 88 1.003 5.219 -5.957 696 HB ILE 88 HB ILE 88 -1.826 4.437 -6.666 697 HG12 ILE 88 2HG1 ILE 88 0.791 3.766 -8.027 698 HG13 ILE 88 1HG1 ILE 88 -0.076 2.674 -6.949 699 HG21 ILE 88 1HG2 ILE 88 -1.449 5.635 -8.760 700 HG22 ILE 88 2HG2 ILE 88 0.135 6.152 -8.181 701 HG23 ILE 88 3HG2 ILE 88 -1.326 6.716 -7.370 702 HD11 ILE 88 3HD1 ILE 88 -1.112 3.756 -9.555 703 HD12 ILE 88 1HD1 ILE 88 -1.964 2.654 -8.476 704 HD13 ILE 88 2HD1 ILE 88 -0.482 2.132 -9.277 705 H PHE 89 H PHE 89 0.690 7.408 -5.913 706 HA PHE 89 HA PHE 89 -1.038 8.318 -3.739 707 HB2 PHE 89 2HB PHE 89 1.424 9.506 -5.009 708 HB3 PHE 89 1HB PHE 89 0.430 10.361 -3.832 709 HD1 PHE 89 1HD PHE 89 -0.138 8.992 -1.686 710 HD2 PHE 89 2HD PHE 89 3.190 8.246 -4.223 711 HE1 PHE 89 1HE PHE 89 0.973 7.781 0.135 712 HE2 PHE 89 2HE PHE 89 4.309 7.036 -2.400 713 HZ PHE 89 HZ PHE 89 3.179 6.802 -0.231 714 H ASP 90 H ASP 90 -2.906 9.060 -4.369 715 HA ASP 90 HA ASP 90 -3.432 9.827 -7.089 716 HB2 ASP 90 2HB ASP 90 -4.969 8.626 -5.287 717 HB3 ASP 90 1HB ASP 90 -5.410 10.282 -4.896 718 H GLU 91 H GLU 91 -3.618 11.820 -7.914 719 HA GLU 91 HA GLU 91 -2.802 14.037 -6.244 720 HB2 GLU 91 2HB GLU 91 -2.988 15.335 -8.434 721 HB3 GLU 91 1HB GLU 91 -1.759 14.086 -8.345 722 HG2 GLU 91 2HG GLU 91 -4.450 13.600 -9.582 723 HG3 GLU 91 1HG GLU 91 -3.091 14.256 -10.492 724 H GLU 92 H GLU 92 -4.128 15.265 -5.197 725 HA GLU 92 HA GLU 92 -6.978 15.188 -5.912 726 HB2 GLU 92 2HB GLU 92 -7.271 15.645 -3.404 727 HB3 GLU 92 1HB GLU 92 -6.723 14.038 -3.871 728 HG2 GLU 92 2HG GLU 92 -4.487 14.528 -3.252 729 HG3 GLU 92 1HG GLU 92 -4.854 16.237 -3.046 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -3.684 -30.334 -24.208 2 H2 GLY 1 2HT GLY 1 -2.241 -31.115 -24.618 3 H3 GLY 1 3HT GLY 1 -3.061 -30.195 -25.775 4 HA2 GLY 1 1HA GLY 1 -1.169 -28.971 -24.974 5 HA3 GLY 1 2HA GLY 1 -2.665 -28.187 -24.488 6 H SER 2 H SER 2 -0.213 -27.764 -23.200 7 HA SER 2 HA SER 2 -0.576 -29.188 -20.658 8 HB2 SER 2 2HB SER 2 1.819 -28.496 -20.228 9 HB3 SER 2 1HB SER 2 1.601 -29.643 -21.549 10 HG SER 2 HG SER 2 3.025 -27.841 -22.020 11 H ALA 3 H ALA 3 -0.317 -27.973 -18.705 12 HA ALA 3 HA ALA 3 -1.527 -25.391 -18.783 13 HB1 ALA 3 1HB ALA 3 -0.196 -26.826 -16.483 14 HB2 ALA 3 2HB ALA 3 -1.900 -26.938 -16.921 15 HB3 ALA 3 3HB ALA 3 -1.234 -25.405 -16.355 16 H MET 4 H MET 4 -0.611 -23.386 -18.332 17 HA MET 4 HA MET 4 2.146 -23.163 -19.165 18 HB2 MET 4 2HB MET 4 0.089 -21.056 -18.484 19 HB3 MET 4 1HB MET 4 1.705 -20.706 -19.078 20 HG2 MET 4 2HG MET 4 0.254 -20.542 -20.928 21 HG3 MET 4 1HG MET 4 1.139 -22.053 -21.117 22 HE1 MET 4 3HE MET 4 -2.301 -22.985 -22.685 23 HE2 MET 4 1HE MET 4 -0.551 -22.985 -22.898 24 HE3 MET 4 2HE MET 4 -1.430 -21.459 -22.821 25 H GLY 5 H GLY 5 2.549 -24.430 -17.030 26 HA2 GLY 5 2HA GLY 5 3.722 -24.394 -15.055 27 HA3 GLY 5 1HA GLY 5 3.898 -22.657 -15.262 28 H HIS 6 H HIS 6 3.625 -23.268 -12.786 29 HA HIS 6 HA HIS 6 0.909 -22.404 -12.150 30 HB2 HIS 6 2HB HIS 6 2.313 -24.763 -10.895 31 HB3 HIS 6 1HB HIS 6 0.986 -23.922 -10.100 32 HD1 HIS 6 1HD HIS 6 1.642 -26.658 -12.344 33 HD2 HIS 6 2HD HIS 6 -1.454 -23.938 -11.808 34 HE1 HIS 6 1HE HIS 6 -0.343 -27.653 -13.518 35 HE2 HIS 6 2HE HIS 6 -2.242 -26.073 -13.030 36 H MET 7 H MET 7 2.713 -20.614 -12.330 37 HA MET 7 HA MET 7 3.759 -20.138 -9.617 38 HB2 MET 7 2HB MET 7 5.491 -20.251 -11.374 39 HB3 MET 7 1HB MET 7 4.680 -18.963 -12.252 40 HG2 MET 7 2HG MET 7 5.093 -17.439 -10.378 41 HG3 MET 7 1HG MET 7 5.931 -18.734 -9.524 42 HE1 MET 7 3HE MET 7 8.005 -17.106 -9.225 43 HE2 MET 7 1HE MET 7 7.190 -15.834 -10.135 44 HE3 MET 7 2HE MET 7 8.833 -16.311 -10.564 45 HA PRO 8 HA PRO 8 0.284 -17.198 -10.134 46 HB2 PRO 8 2HB PRO 8 0.061 -17.388 -7.233 47 HB3 PRO 8 1HB PRO 8 -1.120 -17.824 -8.470 48 HG2 PRO 8 2HG PRO 8 0.144 -19.669 -6.943 49 HG3 PRO 8 1HG PRO 8 -0.367 -19.991 -8.609 50 HD2 PRO 8 2HD PRO 8 2.351 -19.279 -7.567 51 HD3 PRO 8 1HD PRO 8 1.893 -20.491 -8.784 52 H ALA 9 H ALA 9 0.390 -15.041 -9.986 53 HA ALA 9 HA ALA 9 2.325 -13.878 -8.099 54 HB1 ALA 9 1HB ALA 9 3.171 -13.737 -10.397 55 HB2 ALA 9 2HB ALA 9 2.812 -12.140 -9.742 56 HB3 ALA 9 3HB ALA 9 1.700 -12.894 -10.884 57 H VAL 10 H VAL 10 1.251 -12.826 -6.577 58 HA VAL 10 HA VAL 10 -1.419 -11.796 -7.136 59 HB VAL 10 HB VAL 10 0.113 -11.849 -4.524 60 HG11 VAL 10 1HG1 VAL 10 -1.625 -10.142 -4.562 61 HG12 VAL 10 2HG1 VAL 10 -2.070 -11.463 -3.482 62 HG13 VAL 10 3HG1 VAL 10 -2.809 -11.342 -5.079 63 HG21 VAL 10 3HG2 VAL 10 -1.314 -13.762 -3.944 64 HG22 VAL 10 1HG2 VAL 10 -0.294 -14.104 -5.342 65 HG23 VAL 10 2HG2 VAL 10 -2.004 -13.732 -5.567 66 H ASP 11 H ASP 11 -1.694 -9.766 -7.756 67 HA ASP 11 HA ASP 11 0.266 -7.746 -6.891 68 HB2 ASP 11 2HB ASP 11 0.542 -8.484 -9.304 69 HB3 ASP 11 1HB ASP 11 -1.053 -7.809 -9.614 70 H VAL 12 H VAL 12 -0.687 -6.214 -5.750 71 HA VAL 12 HA VAL 12 -3.552 -5.671 -6.207 72 HB VAL 12 HB VAL 12 -2.082 -5.579 -3.560 73 HG11 VAL 12 1HG1 VAL 12 -5.013 -5.213 -4.177 74 HG12 VAL 12 2HG1 VAL 12 -3.888 -3.944 -3.692 75 HG13 VAL 12 3HG1 VAL 12 -4.289 -5.242 -2.569 76 HG21 VAL 12 3HG2 VAL 12 -3.441 -7.525 -2.948 77 HG22 VAL 12 1HG2 VAL 12 -2.389 -7.872 -4.321 78 HG23 VAL 12 2HG2 VAL 12 -4.107 -7.571 -4.581 79 H GLU 13 H GLU 13 -4.188 -3.534 -6.283 80 HA GLU 13 HA GLU 13 -2.013 -1.565 -6.188 81 HB2 GLU 13 2HB GLU 13 -3.374 -0.179 -7.687 82 HB3 GLU 13 1HB GLU 13 -3.050 -1.754 -8.396 83 HG2 GLU 13 2HG GLU 13 -5.278 -2.500 -7.847 84 HG3 GLU 13 1HG GLU 13 -5.611 -0.982 -7.017 85 H ILE 14 H ILE 14 -2.057 -0.045 -4.699 86 HA ILE 14 HA ILE 14 -4.567 0.402 -3.225 87 HB ILE 14 HB ILE 14 -1.731 0.712 -2.204 88 HG12 ILE 14 2HG1 ILE 14 -3.826 -1.401 -1.632 89 HG13 ILE 14 1HG1 ILE 14 -2.301 -1.642 -2.475 90 HG21 ILE 14 1HG2 ILE 14 -3.249 2.295 -1.174 91 HG22 ILE 14 2HG2 ILE 14 -2.784 1.050 -0.015 92 HG23 ILE 14 3HG2 ILE 14 -4.372 0.994 -0.780 93 HD11 ILE 14 3HD1 ILE 14 -2.131 -2.493 -0.237 94 HD12 ILE 14 1HD1 ILE 14 -2.663 -0.951 0.434 95 HD13 ILE 14 2HD1 ILE 14 -1.106 -1.067 -0.389 96 H HIS 15 H HIS 15 -5.024 2.615 -2.642 97 HA HIS 15 HA HIS 15 -3.408 4.581 -4.117 98 HB2 HIS 15 2HB HIS 15 -6.423 4.478 -3.935 99 HB3 HIS 15 1HB HIS 15 -5.508 5.819 -4.617 100 HD1 HIS 15 1HD HIS 15 -6.908 2.527 -5.444 101 HD2 HIS 15 2HD HIS 15 -4.083 5.130 -7.044 102 HE1 HIS 15 1HE HIS 15 -6.542 1.760 -7.806 103 HE2 HIS 15 2HE HIS 15 -4.889 3.390 -8.782 104 H PHE 16 H PHE 16 -2.601 6.081 -2.876 105 HA PHE 16 HA PHE 16 -4.079 6.928 -0.468 106 HB2 PHE 16 2HB PHE 16 -1.092 6.594 -0.836 107 HB3 PHE 16 1HB PHE 16 -1.820 7.404 0.536 108 HD1 PHE 16 1HD PHE 16 -4.085 5.607 1.125 109 HD2 PHE 16 2HD PHE 16 -0.061 4.752 0.071 110 HE1 PHE 16 1HE PHE 16 -4.226 3.480 2.341 111 HE2 PHE 16 2HE PHE 16 -0.194 2.612 1.276 112 HZ PHE 16 HZ PHE 16 -2.279 1.979 2.415 113 HA PRO 17 HA PRO 17 -3.848 10.751 -2.935 114 HB2 PRO 17 2HB PRO 17 -5.152 11.843 -0.520 115 HB3 PRO 17 1HB PRO 17 -5.650 11.945 -2.210 116 HG2 PRO 17 2HG PRO 17 -6.903 10.362 -0.442 117 HG3 PRO 17 1HG PRO 17 -6.747 9.929 -2.152 118 HD2 PRO 17 2HD PRO 17 -5.292 8.867 0.217 119 HD3 PRO 17 1HD PRO 17 -5.755 8.046 -1.287 120 H LEU 18 H LEU 18 -2.096 12.029 -2.944 121 HA LEU 18 HA LEU 18 -0.001 11.690 -1.273 122 HB2 LEU 18 2HB LEU 18 0.271 14.342 -2.105 123 HB3 LEU 18 1HB LEU 18 0.988 12.918 -2.800 124 HG LEU 18 HG LEU 18 -1.749 13.745 -3.681 125 HD11 LEU 18 1HD1 LEU 18 -0.757 15.173 -5.383 126 HD12 LEU 18 2HD1 LEU 18 0.839 14.920 -4.682 127 HD13 LEU 18 3HD1 LEU 18 -0.397 15.783 -3.769 128 HD21 LEU 18 3HD2 LEU 18 0.615 12.413 -5.006 129 HD22 LEU 18 1HD2 LEU 18 -0.911 12.791 -5.805 130 HD23 LEU 18 2HD2 LEU 18 -0.875 11.628 -4.483 131 H LYS 19 H LYS 19 -2.347 14.377 -0.957 132 HA LYS 19 HA LYS 19 -0.853 15.471 1.238 133 HB2 LYS 19 2HB LYS 19 -2.602 17.125 1.413 134 HB3 LYS 19 1HB LYS 19 -2.096 16.942 -0.257 135 HG2 LYS 19 2HG LYS 19 -4.096 15.532 -0.640 136 HG3 LYS 19 1HG LYS 19 -4.608 15.881 1.013 137 HD2 LYS 19 2HD LYS 19 -4.441 18.334 0.397 138 HD3 LYS 19 1HD LYS 19 -4.283 17.808 -1.275 139 HE2 LYS 19 2HE LYS 19 -6.544 18.289 -0.988 140 HE3 LYS 19 1HE LYS 19 -6.431 16.534 -0.942 141 HZ1 LYS 19 3HZ LYS 19 -7.869 17.284 0.804 142 HZ2 LYS 19 1HZ LYS 19 -6.694 18.349 1.392 143 HZ3 LYS 19 2HZ LYS 19 -6.453 16.680 1.505 144 H ARG 20 H ARG 20 -3.535 13.301 0.948 145 HA ARG 20 HA ARG 20 -4.394 13.639 3.679 146 HB2 ARG 20 2HB ARG 20 -5.180 11.609 1.582 147 HB3 ARG 20 1HB ARG 20 -5.902 11.702 3.187 148 HG2 ARG 20 2HG ARG 20 -6.675 13.942 2.732 149 HG3 ARG 20 1HG ARG 20 -5.936 13.904 1.130 150 HD2 ARG 20 2HD ARG 20 -8.019 13.281 0.497 151 HD3 ARG 20 1HD ARG 20 -7.467 11.686 1.010 152 HE ARG 20 HE ARG 20 -8.483 12.783 3.286 153 HH11 ARG 20 1HH1 ARG 20 -9.793 12.262 0.064 154 HH12 ARG 20 2HH1 ARG 20 -11.429 12.129 0.623 155 HH21 ARG 20 1HH2 ARG 20 -10.613 12.630 4.001 156 HH22 ARG 20 2HH2 ARG 20 -11.900 12.344 2.870 157 H ILE 21 H ILE 21 -2.393 11.378 1.875 158 HA ILE 21 HA ILE 21 -2.077 9.574 4.071 159 HB ILE 21 HB ILE 21 -1.724 8.848 1.752 160 HG12 ILE 21 2HG1 ILE 21 0.220 7.468 2.111 161 HG13 ILE 21 1HG1 ILE 21 0.856 8.592 3.306 162 HG21 ILE 21 1HG2 ILE 21 0.730 10.593 1.832 163 HG22 ILE 21 2HG2 ILE 21 -0.703 10.844 0.837 164 HG23 ILE 21 3HG2 ILE 21 0.335 9.449 0.550 165 HD11 ILE 21 3HD1 ILE 21 -1.664 6.978 3.615 166 HD12 ILE 21 1HD1 ILE 21 -0.927 8.025 4.829 167 HD13 ILE 21 2HD1 ILE 21 -0.093 6.564 4.300 168 H ALA 22 H ALA 22 -0.861 12.637 3.335 169 HA ALA 22 HA ALA 22 1.568 12.353 4.904 170 HB1 ALA 22 1HB ALA 22 1.601 13.738 2.885 171 HB2 ALA 22 2HB ALA 22 1.981 14.683 4.324 172 HB3 ALA 22 3HB ALA 22 0.381 14.798 3.592 173 H ALA 23 H ALA 23 -1.663 12.856 5.551 174 HA ALA 23 HA ALA 23 -1.329 14.780 7.692 175 HB1 ALA 23 1HB ALA 23 -3.372 14.779 6.342 176 HB2 ALA 23 2HB ALA 23 -3.726 14.488 8.045 177 HB3 ALA 23 3HB ALA 23 -3.741 13.147 6.899 178 H GLU 24 H GLU 24 -1.615 14.351 9.887 179 HA GLU 24 HA GLU 24 -0.718 11.758 10.759 180 HB2 GLU 24 2HB GLU 24 0.041 13.886 11.816 181 HB3 GLU 24 1HB GLU 24 -1.595 14.146 12.399 182 HG2 GLU 24 2HG GLU 24 -0.251 13.277 14.178 183 HG3 GLU 24 1HG GLU 24 -1.431 12.059 13.701 184 H GLY 25 H GLY 25 -3.662 13.684 10.936 185 HA2 GLY 25 2HA GLY 25 -5.099 11.497 12.241 186 HA3 GLY 25 1HA GLY 25 -5.732 13.104 11.899 187 H TYR 26 H TYR 26 -4.173 10.734 9.785 188 HA TYR 26 HA TYR 26 -5.990 11.231 7.657 189 HB2 TYR 26 2HB TYR 26 -4.783 9.420 6.493 190 HB3 TYR 26 1HB TYR 26 -3.683 10.578 7.233 191 HD1 TYR 26 1HD TYR 26 -5.196 7.208 7.760 192 HD2 TYR 26 2HD TYR 26 -2.038 9.882 8.740 193 HE1 TYR 26 1HE TYR 26 -4.040 5.398 8.952 194 HE2 TYR 26 2HE TYR 26 -0.877 8.081 9.933 195 HH TYR 26 HH TYR 26 -1.857 4.791 9.704 196 H ALA 27 H ALA 27 -6.251 9.329 10.409 197 HA ALA 27 HA ALA 27 -7.733 7.124 9.449 198 HB1 ALA 27 1HB ALA 27 -8.402 6.795 11.759 199 HB2 ALA 27 2HB ALA 27 -7.854 8.418 12.171 200 HB3 ALA 27 3HB ALA 27 -6.686 7.194 11.677 201 H GLU 28 H GLU 28 -8.494 10.425 9.965 202 HA GLU 28 HA GLU 28 -11.349 10.072 10.086 203 HB2 GLU 28 2HB GLU 28 -9.550 12.471 9.810 204 HB3 GLU 28 1HB GLU 28 -11.304 12.599 9.744 205 HG2 GLU 28 2HG GLU 28 -9.758 11.435 12.047 206 HG3 GLU 28 1HG GLU 28 -10.360 13.092 11.969 207 H ASP 29 H ASP 29 -8.982 10.195 7.649 208 HA ASP 29 HA ASP 29 -10.727 11.136 5.562 209 HB2 ASP 29 2HB ASP 29 -7.965 9.888 5.468 210 HB3 ASP 29 1HB ASP 29 -8.816 10.556 4.081 211 H GLU 30 H GLU 30 -12.433 9.795 5.340 212 HA GLU 30 HA GLU 30 -12.402 7.033 5.820 213 HB2 GLU 30 2HB GLU 30 -14.427 8.519 5.827 214 HB3 GLU 30 1HB GLU 30 -14.360 8.526 4.070 215 HG2 GLU 30 2HG GLU 30 -14.447 5.959 4.286 216 HG3 GLU 30 1HG GLU 30 -15.016 6.277 5.924 217 H LEU 31 H LEU 31 -11.797 8.907 2.942 218 HA LEU 31 HA LEU 31 -12.115 6.963 0.984 219 HB2 LEU 31 2HB LEU 31 -11.700 9.471 0.763 220 HB3 LEU 31 1HB LEU 31 -10.007 9.127 1.012 221 HG LEU 31 HG LEU 31 -11.049 9.429 -1.405 222 HD11 LEU 31 1HD1 LEU 31 -8.961 7.378 -0.711 223 HD12 LEU 31 2HD1 LEU 31 -8.699 9.109 -0.932 224 HD13 LEU 31 3HD1 LEU 31 -9.198 8.109 -2.297 225 HD21 LEU 31 3HD2 LEU 31 -11.515 7.298 -2.471 226 HD22 LEU 31 1HD2 LEU 31 -12.662 7.604 -1.168 227 HD23 LEU 31 2HD2 LEU 31 -11.335 6.467 -0.928 228 H LEU 32 H LEU 32 -9.350 7.751 3.043 229 HA LEU 32 HA LEU 32 -7.492 5.970 1.949 230 HB2 LEU 32 2HB LEU 32 -7.411 7.986 3.709 231 HB3 LEU 32 1HB LEU 32 -7.473 6.653 4.845 232 HG LEU 32 HG LEU 32 -5.481 5.699 3.709 233 HD11 LEU 32 1HD1 LEU 32 -5.458 8.379 2.342 234 HD12 LEU 32 2HD1 LEU 32 -5.677 6.811 1.565 235 HD13 LEU 32 3HD1 LEU 32 -4.134 7.215 2.317 236 HD21 LEU 32 3HD2 LEU 32 -3.899 7.214 4.758 237 HD22 LEU 32 1HD2 LEU 32 -5.305 6.953 5.788 238 HD23 LEU 32 2HD2 LEU 32 -5.154 8.448 4.866 239 H LEU 33 H LEU 33 -9.813 5.739 4.588 240 HA LEU 33 HA LEU 33 -9.058 3.171 5.506 241 HB2 LEU 33 2HB LEU 33 -10.506 5.094 6.558 242 HB3 LEU 33 1HB LEU 33 -11.828 4.213 5.825 243 HG LEU 33 HG LEU 33 -11.424 3.677 8.225 244 HD11 LEU 33 1HD1 LEU 33 -11.623 1.253 7.985 245 HD12 LEU 33 2HD1 LEU 33 -11.101 1.383 6.305 246 HD13 LEU 33 3HD1 LEU 33 -12.625 2.111 6.813 247 HD21 LEU 33 3HD2 LEU 33 -9.549 2.324 8.875 248 HD22 LEU 33 1HD2 LEU 33 -8.963 3.819 8.146 249 HD23 LEU 33 2HD2 LEU 33 -8.935 2.316 7.223 250 H ASN 34 H ASN 34 -11.614 4.301 3.322 251 HA ASN 34 HA ASN 34 -12.909 1.876 2.873 252 HB2 ASN 34 2HB ASN 34 -12.501 4.226 1.016 253 HB3 ASN 34 1HB ASN 34 -13.562 2.872 0.647 254 HD21 ASN 34 1HD2 ASN 34 -14.094 5.735 1.040 255 HD22 ASN 34 2HD2 ASN 34 -15.306 5.820 2.283 256 H GLN 35 H GLN 35 -10.160 3.310 1.173 257 HA GLN 35 HA GLN 35 -9.916 1.266 -0.764 258 HB2 GLN 35 2HB GLN 35 -7.985 3.303 0.316 259 HB3 GLN 35 1HB GLN 35 -7.533 2.172 -0.946 260 HG2 GLN 35 2HG GLN 35 -8.915 3.126 -2.508 261 HG3 GLN 35 1HG GLN 35 -9.993 3.812 -1.296 262 HE21 GLN 35 1HE2 GLN 35 -8.110 5.151 0.291 263 HE22 GLN 35 2HE2 GLN 35 -7.440 6.442 -0.631 264 H MET 36 H MET 36 -8.358 1.765 2.389 265 HA MET 36 HA MET 36 -6.998 -0.799 2.118 266 HB2 MET 36 2HB MET 36 -6.795 1.388 4.172 267 HB3 MET 36 1HB MET 36 -6.016 -0.177 4.366 268 HG2 MET 36 2HG MET 36 -5.516 1.883 2.249 269 HG3 MET 36 1HG MET 36 -4.397 1.282 3.471 270 HE1 MET 36 3HE MET 36 -3.215 -1.225 3.305 271 HE2 MET 36 1HE MET 36 -3.869 -2.436 2.204 272 HE3 MET 36 2HE MET 36 -4.885 -1.767 3.483 273 H GLY 37 H GLY 37 -10.008 -0.155 2.798 274 HA2 GLY 37 2HA GLY 37 -10.137 -2.421 4.681 275 HA3 GLY 37 1HA GLY 37 -11.479 -1.347 4.288 276 H LYS 38 H LYS 38 -10.879 -1.317 1.477 277 HA LYS 38 HA LYS 38 -12.416 -3.537 0.622 278 HB2 LYS 38 2HB LYS 38 -12.391 -1.281 -0.449 279 HB3 LYS 38 1HB LYS 38 -10.765 -1.626 -1.027 280 HG2 LYS 38 2HG LYS 38 -12.283 -2.022 -2.819 281 HG3 LYS 38 1HG LYS 38 -11.695 -3.586 -2.255 282 HD2 LYS 38 2HD LYS 38 -13.741 -3.897 -0.961 283 HD3 LYS 38 1HD LYS 38 -14.329 -2.324 -1.499 284 HE2 LYS 38 2HE LYS 38 -14.245 -3.136 -3.832 285 HE3 LYS 38 1HE LYS 38 -13.757 -4.721 -3.235 286 HZ1 LYS 38 3HZ LYS 38 -16.316 -3.336 -2.660 287 HZ2 LYS 38 1HZ LYS 38 -15.850 -4.813 -1.982 288 HZ3 LYS 38 2HZ LYS 38 -16.109 -4.690 -3.648 289 H VAL 39 H VAL 39 -9.075 -2.577 -0.265 290 HA VAL 39 HA VAL 39 -8.626 -5.296 -1.259 291 HB VAL 39 HB VAL 39 -6.510 -4.410 -2.180 292 HG11 VAL 39 1HG1 VAL 39 -8.515 -4.341 -3.542 293 HG12 VAL 39 2HG1 VAL 39 -7.508 -2.931 -3.866 294 HG13 VAL 39 3HG1 VAL 39 -8.949 -2.774 -2.862 295 HG21 VAL 39 3HG2 VAL 39 -6.061 -1.998 -2.130 296 HG22 VAL 39 1HG2 VAL 39 -6.024 -2.700 -0.512 297 HG23 VAL 39 2HG2 VAL 39 -7.426 -1.769 -1.039 298 H ASN 40 H ASN 40 -8.927 -5.286 1.415 299 HA ASN 40 HA ASN 40 -6.209 -5.557 2.483 300 HB2 ASN 40 2HB ASN 40 -6.905 -3.344 3.072 301 HB3 ASN 40 1HB ASN 40 -8.450 -3.934 3.678 302 HD21 ASN 40 1HD2 ASN 40 -5.007 -3.985 4.152 303 HD22 ASN 40 2HD2 ASN 40 -5.033 -4.332 5.847 304 H ASP 41 H ASP 41 -9.490 -6.602 2.426 305 HA ASP 41 HA ASP 41 -9.613 -7.867 4.942 306 HB2 ASP 41 2HB ASP 41 -11.637 -7.385 3.677 307 HB3 ASP 41 1HB ASP 41 -11.122 -8.469 2.387 308 H THR 42 H THR 42 -8.743 -9.084 1.735 309 HA THR 42 HA THR 42 -7.249 -11.209 3.071 310 HB THR 42 HB THR 42 -9.179 -12.381 2.345 311 HG1 THR 42 1HG THR 42 -7.683 -13.777 1.792 312 HG21 THR 42 3HG2 THR 42 -10.101 -10.778 0.775 313 HG22 THR 42 1HG2 THR 42 -9.986 -12.368 0.022 314 HG23 THR 42 2HG2 THR 42 -8.802 -11.121 -0.369 315 HA PRO 43 HA PRO 43 -4.606 -9.136 -0.008 316 HB2 PRO 43 2HB PRO 43 -2.755 -8.181 1.701 317 HB3 PRO 43 1HB PRO 43 -4.286 -7.351 1.413 318 HG2 PRO 43 2HG PRO 43 -3.400 -8.890 3.777 319 HG3 PRO 43 1HG PRO 43 -4.613 -7.612 3.654 320 HD2 PRO 43 2HD PRO 43 -5.031 -10.438 3.733 321 HD3 PRO 43 1HD PRO 43 -6.249 -9.161 3.575 322 H GLU 44 H GLU 44 -4.545 -11.898 1.541 323 HA GLU 44 HA GLU 44 -3.326 -13.796 1.394 324 HB2 GLU 44 2HB GLU 44 -2.738 -13.088 -0.892 325 HB3 GLU 44 1HB GLU 44 -1.367 -12.194 -0.253 326 HG2 GLU 44 2HG GLU 44 -0.646 -14.303 -1.179 327 HG3 GLU 44 1HG GLU 44 -0.388 -14.277 0.563 328 H GLU 45 H GLU 45 -1.217 -10.983 1.889 329 HA GLU 45 HA GLU 45 0.649 -12.113 3.606 330 HB2 GLU 45 2HB GLU 45 -0.521 -9.341 3.462 331 HB3 GLU 45 1HB GLU 45 0.756 -9.755 4.594 332 HG2 GLU 45 2HG GLU 45 0.984 -10.140 1.629 333 HG3 GLU 45 1HG GLU 45 1.491 -8.673 2.468 334 H GLU 46 H GLU 46 -1.827 -9.923 4.819 335 HA GLU 46 HA GLU 46 -2.571 -11.766 6.941 336 HB2 GLU 46 2HB GLU 46 -1.387 -9.028 7.454 337 HB3 GLU 46 1HB GLU 46 -2.178 -10.017 8.671 338 HG2 GLU 46 2HG GLU 46 -0.468 -11.663 8.555 339 HG3 GLU 46 1HG GLU 46 0.241 -10.905 7.131 340 H GLY 47 H GLY 47 -3.121 -8.454 7.544 341 HA2 GLY 47 2HA GLY 47 -4.969 -7.777 5.568 342 HA3 GLY 47 1HA GLY 47 -5.857 -8.451 6.925 343 H MET 48 H MET 48 -5.659 -7.442 8.979 344 HA MET 48 HA MET 48 -5.819 -4.692 8.969 345 HB2 MET 48 2HB MET 48 -6.834 -5.755 10.762 346 HB3 MET 48 1HB MET 48 -5.417 -6.730 11.118 347 HG2 MET 48 2HG MET 48 -5.206 -3.793 11.419 348 HG3 MET 48 1HG MET 48 -6.112 -4.696 12.634 349 HE1 MET 48 3HE MET 48 -3.343 -2.903 12.905 350 HE2 MET 48 1HE MET 48 -2.523 -3.848 14.148 351 HE3 MET 48 2HE MET 48 -4.254 -3.527 14.280 352 HA PRO 49 HA PRO 49 -1.262 -4.416 10.493 353 HB2 PRO 49 2HB PRO 49 0.051 -6.866 9.566 354 HB3 PRO 49 1HB PRO 49 0.035 -6.158 11.185 355 HG2 PRO 49 2HG PRO 49 -1.275 -8.439 10.643 356 HG3 PRO 49 1HG PRO 49 -1.922 -7.246 11.784 357 HD2 PRO 49 2HD PRO 49 -2.605 -7.652 8.893 358 HD3 PRO 49 1HD PRO 49 -3.704 -7.503 10.265 359 H LEU 50 H LEU 50 -2.015 -6.169 7.565 360 HA LEU 50 HA LEU 50 0.011 -5.274 5.863 361 HB2 LEU 50 2HB LEU 50 -1.777 -7.018 5.404 362 HB3 LEU 50 1HB LEU 50 -2.898 -5.704 5.128 363 HG LEU 50 HG LEU 50 -2.047 -6.730 3.045 364 HD11 LEU 50 1HD1 LEU 50 -1.191 -3.868 3.410 365 HD12 LEU 50 2HD1 LEU 50 -2.812 -4.426 2.985 366 HD13 LEU 50 3HD1 LEU 50 -1.469 -4.680 1.868 367 HD21 LEU 50 3HD2 LEU 50 0.224 -7.231 3.955 368 HD22 LEU 50 1HD2 LEU 50 0.611 -5.525 3.737 369 HD23 LEU 50 2HD2 LEU 50 0.202 -6.521 2.340 370 H ARG 51 H ARG 51 -3.110 -3.873 6.728 371 HA ARG 51 HA ARG 51 -2.854 -1.542 5.151 372 HB2 ARG 51 2HB ARG 51 -5.016 -2.118 5.815 373 HB3 ARG 51 1HB ARG 51 -4.570 -2.275 7.506 374 HG2 ARG 51 2HG ARG 51 -4.353 0.119 7.699 375 HG3 ARG 51 1HG ARG 51 -4.657 0.315 5.972 376 HD2 ARG 51 2HD ARG 51 -6.673 0.812 7.189 377 HD3 ARG 51 1HD ARG 51 -6.892 -0.688 6.293 378 HE ARG 51 HE ARG 51 -6.229 -0.677 9.166 379 HH11 ARG 51 1HH1 ARG 51 -8.215 -1.775 6.485 380 HH12 ARG 51 2HH1 ARG 51 -9.200 -2.802 7.478 381 HH21 ARG 51 1HH2 ARG 51 -7.516 -2.022 10.463 382 HH22 ARG 51 2HH2 ARG 51 -8.801 -2.944 9.746 383 H ALA 52 H ALA 52 -2.257 -2.142 8.592 384 HA ALA 52 HA ALA 52 -1.575 0.459 9.296 385 HB1 ALA 52 1HB ALA 52 -0.497 -0.519 11.250 386 HB2 ALA 52 2HB ALA 52 -0.529 -2.109 10.488 387 HB3 ALA 52 3HB ALA 52 -2.040 -1.307 10.924 388 H TRP 53 H TRP 53 0.584 -2.204 8.230 389 HA TRP 53 HA TRP 53 2.890 -0.544 8.484 390 HB2 TRP 53 2HB TRP 53 4.180 -2.367 7.872 391 HB3 TRP 53 1HB TRP 53 2.767 -3.129 8.570 392 HD1 TRP 53 HD TRP 53 1.547 -4.869 7.163 393 HE1 TRP 53 1HE TRP 53 1.804 -5.782 4.779 394 HE3 TRP 53 3HE TRP 53 4.931 -1.494 5.341 395 HZ2 TRP 53 2HZ TRP 53 3.227 -5.162 2.435 396 HZ3 TRP 53 3HZ TRP 53 5.696 -1.737 3.018 397 HH2 TRP 53 HH TRP 53 4.860 -3.538 1.595 398 H VAL 54 H VAL 54 0.779 -1.418 5.795 399 HA VAL 54 HA VAL 54 2.514 -0.356 3.813 400 HB VAL 54 HB VAL 54 0.434 -2.016 3.648 401 HG11 VAL 54 1HG1 VAL 54 -1.422 -0.955 2.447 402 HG12 VAL 54 2HG1 VAL 54 -0.721 0.625 2.790 403 HG13 VAL 54 3HG1 VAL 54 -1.284 -0.395 4.114 404 HG21 VAL 54 3HG2 VAL 54 2.115 -1.711 1.943 405 HG22 VAL 54 1HG2 VAL 54 1.384 -0.184 1.452 406 HG23 VAL 54 2HG2 VAL 54 0.511 -1.698 1.210 407 H ILE 55 H ILE 55 -0.379 0.946 5.460 408 HA ILE 55 HA ILE 55 -0.324 3.473 4.234 409 HB ILE 55 HB ILE 55 -1.315 2.604 6.944 410 HG12 ILE 55 2HG1 ILE 55 -2.715 3.274 4.357 411 HG13 ILE 55 1HG1 ILE 55 -2.503 1.667 5.050 412 HG21 ILE 55 1HG2 ILE 55 -2.498 4.716 7.113 413 HG22 ILE 55 2HG2 ILE 55 -1.714 5.281 5.636 414 HG23 ILE 55 3HG2 ILE 55 -0.752 4.957 7.080 415 HD11 ILE 55 3HD1 ILE 55 -4.104 3.912 6.260 416 HD12 ILE 55 1HD1 ILE 55 -3.899 2.299 6.944 417 HD13 ILE 55 2HD1 ILE 55 -4.755 2.507 5.416 418 H LYS 56 H LYS 56 1.354 2.228 7.092 419 HA LYS 56 HA LYS 56 2.492 4.688 7.891 420 HB2 LYS 56 2HB LYS 56 2.370 2.744 9.381 421 HB3 LYS 56 1HB LYS 56 3.493 1.872 8.347 422 HG2 LYS 56 2HG LYS 56 5.241 3.483 8.860 423 HG3 LYS 56 1HG LYS 56 4.114 4.396 9.864 424 HD2 LYS 56 2HD LYS 56 3.865 2.482 11.348 425 HD3 LYS 56 1HD LYS 56 4.957 1.538 10.333 426 HE2 LYS 56 2HE LYS 56 5.719 4.108 11.700 427 HE3 LYS 56 1HE LYS 56 6.010 2.509 12.382 428 HZ1 LYS 56 3HZ LYS 56 7.966 3.334 11.263 429 HZ2 LYS 56 1HZ LYS 56 7.110 3.544 9.816 430 HZ3 LYS 56 2HZ LYS 56 7.364 1.988 10.438 431 H CYS 57 H CYS 57 3.708 2.076 5.815 432 HA CYS 57 HA CYS 57 6.285 3.159 5.444 433 HB2 CYS 57 2HB CYS 57 5.575 0.793 4.936 434 HB3 CYS 57 1HB CYS 57 4.785 1.408 3.490 435 HG CYS 57 HG CYS 57 8.101 1.116 4.148 436 H ALA 58 H ALA 58 3.313 3.428 3.519 437 HA ALA 58 HA ALA 58 4.384 5.076 1.497 438 HB1 ALA 58 1HB ALA 58 1.542 4.962 2.504 439 HB2 ALA 58 2HB ALA 58 2.239 3.896 1.287 440 HB3 ALA 58 3HB ALA 58 2.076 5.621 0.959 441 H HIS 59 H HIS 59 2.970 5.752 4.632 442 HA HIS 59 HA HIS 59 2.717 8.533 4.458 443 HB2 HIS 59 2HB HIS 59 1.920 6.864 6.283 444 HB3 HIS 59 1HB HIS 59 3.514 7.098 6.985 445 HD1 HIS 59 1HD HIS 59 1.108 7.889 8.612 446 HD2 HIS 59 2HD HIS 59 3.038 10.502 6.030 447 HE1 HIS 59 1HE HIS 59 0.484 10.193 9.397 448 HE2 HIS 59 2HE HIS 59 1.849 11.747 7.960 449 H GLU 60 H GLU 60 5.391 6.549 5.704 450 HA GLU 60 HA GLU 60 7.082 8.752 6.296 451 HB2 GLU 60 2HB GLU 60 7.788 5.841 5.872 452 HB3 GLU 60 1HB GLU 60 8.838 7.051 6.597 453 HG2 GLU 60 2HG GLU 60 7.170 7.361 8.394 454 HG3 GLU 60 1HG GLU 60 6.218 6.056 7.690 455 H ALA 61 H ALA 61 6.688 6.684 3.480 456 HA ALA 61 HA ALA 61 9.019 7.558 2.112 457 HB1 ALA 61 1HB ALA 61 6.476 6.393 0.973 458 HB2 ALA 61 2HB ALA 61 7.870 5.472 1.537 459 HB3 ALA 61 3HB ALA 61 8.022 6.529 0.135 460 H LEU 62 H LEU 62 5.666 8.628 2.121 461 HA LEU 62 HA LEU 62 5.949 10.386 -0.096 462 HB2 LEU 62 2HB LEU 62 3.879 9.275 0.568 463 HB3 LEU 62 1HB LEU 62 3.812 10.236 2.028 464 HG LEU 62 HG LEU 62 2.212 10.974 0.318 465 HD11 LEU 62 1HD1 LEU 62 4.365 13.020 0.784 466 HD12 LEU 62 2HD1 LEU 62 3.051 12.629 1.892 467 HD13 LEU 62 3HD1 LEU 62 2.695 13.346 0.320 468 HD21 LEU 62 3HD2 LEU 62 3.409 10.340 -1.663 469 HD22 LEU 62 1HD2 LEU 62 4.642 11.562 -1.346 470 HD23 LEU 62 2HD2 LEU 62 2.990 12.051 -1.727 471 H GLU 63 H GLU 63 5.836 10.965 3.453 472 HA GLU 63 HA GLU 63 5.974 13.801 3.070 473 HB2 GLU 63 2HB GLU 63 6.473 12.096 5.513 474 HB3 GLU 63 1HB GLU 63 6.537 13.851 5.530 475 HG2 GLU 63 2HG GLU 63 4.166 13.806 4.656 476 HG3 GLU 63 1HG GLU 63 4.167 12.083 5.041 477 H LYS 64 H LYS 64 8.368 11.295 3.317 478 HA LYS 64 HA LYS 64 10.504 13.163 3.976 479 HB2 LYS 64 2HB LYS 64 10.466 10.884 4.951 480 HB3 LYS 64 1HB LYS 64 10.599 10.205 3.336 481 HG2 LYS 64 2HG LYS 64 12.793 11.204 3.071 482 HG3 LYS 64 1HG LYS 64 12.655 11.956 4.659 483 HD2 LYS 64 2HD LYS 64 14.033 9.950 4.768 484 HD3 LYS 64 1HD LYS 64 12.553 9.742 5.702 485 HE2 LYS 64 2HE LYS 64 12.635 8.832 2.861 486 HE3 LYS 64 1HE LYS 64 13.413 7.851 4.099 487 HZ1 LYS 64 3HZ LYS 64 11.332 7.667 5.259 488 HZ2 LYS 64 1HZ LYS 64 11.108 7.185 3.655 489 HZ3 LYS 64 2HZ LYS 64 10.563 8.702 4.166 490 H ASN 65 H ASN 65 8.863 12.069 1.334 491 HA ASN 65 HA ASN 65 10.693 13.247 -0.547 492 HB2 ASN 65 2HB ASN 65 11.571 10.966 -0.422 493 HB3 ASN 65 1HB ASN 65 9.964 10.304 -0.657 494 HD21 ASN 65 1HD2 ASN 65 9.083 10.262 -2.659 495 HD22 ASN 65 2HD2 ASN 65 10.044 10.553 -4.075 496 HA PRO 66 HA PRO 66 6.137 13.530 -1.150 497 HB2 PRO 66 2HB PRO 66 5.773 16.129 -0.802 498 HB3 PRO 66 1HB PRO 66 6.203 15.110 0.567 499 HG2 PRO 66 2HG PRO 66 7.971 16.891 -1.071 500 HG3 PRO 66 1HG PRO 66 7.890 16.714 0.693 501 HD2 PRO 66 2HD PRO 66 9.723 15.423 -0.932 502 HD3 PRO 66 1HD PRO 66 9.242 14.872 0.684 503 H LYS 67 H LYS 67 8.200 13.423 -3.226 504 HA LYS 67 HA LYS 67 6.957 15.157 -5.253 505 HB2 LYS 67 2HB LYS 67 9.724 13.942 -5.187 506 HB3 LYS 67 1HB LYS 67 9.059 14.831 -6.552 507 HG2 LYS 67 2HG LYS 67 8.886 16.831 -5.197 508 HG3 LYS 67 1HG LYS 67 9.474 15.949 -3.788 509 HD2 LYS 67 2HD LYS 67 11.602 15.555 -4.908 510 HD3 LYS 67 1HD LYS 67 11.011 16.392 -6.346 511 HE2 LYS 67 2HE LYS 67 11.251 17.651 -3.619 512 HE3 LYS 67 1HE LYS 67 12.470 17.786 -4.886 513 HZ1 LYS 67 3HZ LYS 67 10.843 18.868 -6.294 514 HZ2 LYS 67 1HZ LYS 67 11.002 19.709 -4.836 515 HZ3 LYS 67 2HZ LYS 67 9.657 18.719 -5.101 516 H ILE 68 H ILE 68 6.967 12.065 -4.123 517 HA ILE 68 HA ILE 68 6.885 10.718 -6.686 518 HB ILE 68 HB ILE 68 6.090 8.749 -5.262 519 HG12 ILE 68 2HG1 ILE 68 7.004 10.609 -3.051 520 HG13 ILE 68 1HG1 ILE 68 5.375 9.996 -3.301 521 HG21 ILE 68 1HG2 ILE 68 8.778 9.996 -5.242 522 HG22 ILE 68 2HG2 ILE 68 8.219 8.530 -6.045 523 HG23 ILE 68 3HG2 ILE 68 8.505 8.530 -4.304 524 HD11 ILE 68 3HD1 ILE 68 6.515 8.827 -1.503 525 HD12 ILE 68 1HD1 ILE 68 7.789 8.336 -2.620 526 HD13 ILE 68 2HD1 ILE 68 6.146 7.738 -2.840 527 H ARG 69 H ARG 69 5.062 9.283 -7.163 528 HA ARG 69 HA ARG 69 2.483 10.245 -6.188 529 HB2 ARG 69 2HB ARG 69 1.541 10.337 -8.431 530 HB3 ARG 69 1HB ARG 69 2.887 11.455 -8.285 531 HG2 ARG 69 2HG ARG 69 4.328 9.938 -9.486 532 HG3 ARG 69 1HG ARG 69 3.041 8.730 -9.553 533 HD2 ARG 69 2HD ARG 69 1.665 10.277 -10.860 534 HD3 ARG 69 1HD ARG 69 2.959 11.474 -10.801 535 HE ARG 69 HE ARG 69 4.148 9.278 -11.874 536 HH11 ARG 69 1HH1 ARG 69 1.286 11.122 -12.679 537 HH12 ARG 69 2HH1 ARG 69 1.426 10.836 -14.383 538 HH21 ARG 69 1HH2 ARG 69 4.327 8.873 -14.108 539 HH22 ARG 69 2HH2 ARG 69 3.153 9.543 -15.198 540 H GLU 70 H GLU 70 4.579 7.782 -6.896 541 HA GLU 70 HA GLU 70 2.754 5.879 -5.868 542 HB2 GLU 70 2HB GLU 70 1.869 5.599 -7.996 543 HB3 GLU 70 1HB GLU 70 3.424 5.837 -8.790 544 HG2 GLU 70 2HG GLU 70 4.162 3.662 -7.817 545 HG3 GLU 70 1HG GLU 70 2.504 3.408 -7.274 546 H VAL 71 H VAL 71 3.805 4.025 -5.102 547 HA VAL 71 HA VAL 71 6.642 3.673 -5.770 548 HB VAL 71 HB VAL 71 7.146 3.079 -3.410 549 HG11 VAL 71 1HG1 VAL 71 6.172 5.893 -3.855 550 HG12 VAL 71 2HG1 VAL 71 7.775 5.260 -4.227 551 HG13 VAL 71 3HG1 VAL 71 7.242 5.383 -2.550 552 HG21 VAL 71 3HG2 VAL 71 4.927 2.558 -2.613 553 HG22 VAL 71 1HG2 VAL 71 4.412 4.226 -2.863 554 HG23 VAL 71 2HG2 VAL 71 5.618 3.851 -1.634 555 H TYR 72 H TYR 72 7.410 1.476 -5.346 556 HA TYR 72 HA TYR 72 5.194 -0.459 -5.507 557 HB2 TYR 72 2HB TYR 72 8.002 -0.708 -6.612 558 HB3 TYR 72 1HB TYR 72 6.725 -1.910 -6.768 559 HD1 TYR 72 2HD TYR 72 4.638 -1.281 -8.079 560 HD2 TYR 72 1HD TYR 72 8.194 1.050 -8.150 561 HE1 TYR 72 2HE TYR 72 3.883 -0.200 -10.154 562 HE2 TYR 72 1HE TYR 72 7.448 2.134 -10.227 563 HH TYR 72 HH TYR 72 4.308 1.982 -11.352 564 H LEU 73 H LEU 73 4.956 -1.727 -3.810 565 HA LEU 73 HA LEU 73 7.224 -1.977 -1.956 566 HB2 LEU 73 2HB LEU 73 4.351 -1.465 -1.579 567 HB3 LEU 73 1HB LEU 73 5.054 -2.611 -0.454 568 HG LEU 73 HG LEU 73 6.099 0.183 -0.914 569 HD11 LEU 73 1HD1 LEU 73 4.402 -0.917 1.327 570 HD12 LEU 73 2HD1 LEU 73 3.876 0.230 0.094 571 HD13 LEU 73 3HD1 LEU 73 5.112 0.698 1.264 572 HD21 LEU 73 3HD2 LEU 73 7.328 -0.301 1.199 573 HD22 LEU 73 1HD2 LEU 73 7.830 -1.305 -0.161 574 HD23 LEU 73 2HD2 LEU 73 6.778 -1.973 1.083 575 H LYS 74 H LYS 74 7.853 -3.896 -1.216 576 HA LYS 74 HA LYS 74 6.321 -6.274 -2.016 577 HB2 LYS 74 2HB LYS 74 8.776 -6.007 -2.732 578 HB3 LYS 74 1HB LYS 74 9.181 -6.231 -1.038 579 HG2 LYS 74 2HG LYS 74 7.562 -8.236 -2.577 580 HG3 LYS 74 1HG LYS 74 9.324 -8.266 -2.542 581 HD2 LYS 74 2HD LYS 74 9.293 -8.507 -0.123 582 HD3 LYS 74 1HD LYS 74 7.533 -8.395 -0.115 583 HE2 LYS 74 2HE LYS 74 7.352 -10.434 -1.374 584 HE3 LYS 74 1HE LYS 74 9.108 -10.539 -1.520 585 HZ1 LYS 74 3HZ LYS 74 7.506 -10.752 0.971 586 HZ2 LYS 74 1HZ LYS 74 9.195 -10.658 0.933 587 HZ3 LYS 74 2HZ LYS 74 8.412 -11.972 0.225 588 HA PRO 75 HA PRO 75 5.037 -6.103 2.169 589 HB2 PRO 75 2HB PRO 75 3.640 -8.407 2.271 590 HB3 PRO 75 1HB PRO 75 3.073 -6.971 1.411 591 HG2 PRO 75 2HG PRO 75 4.424 -9.412 0.336 592 HG3 PRO 75 1HG PRO 75 3.035 -8.524 -0.314 593 HD2 PRO 75 2HD PRO 75 5.550 -8.212 -1.280 594 HD3 PRO 75 1HD PRO 75 4.353 -6.906 -1.274 595 H ARG 76 H ARG 76 4.702 -7.871 4.034 596 HA ARG 76 HA ARG 76 7.364 -8.052 4.962 597 HB2 ARG 76 2HB ARG 76 5.032 -9.424 6.259 598 HB3 ARG 76 1HB ARG 76 6.441 -8.709 7.023 599 HG2 ARG 76 2HG ARG 76 5.664 -6.490 6.542 600 HG3 ARG 76 1HG ARG 76 4.321 -7.122 5.591 601 HD2 ARG 76 2HD ARG 76 3.455 -6.483 7.712 602 HD3 ARG 76 1HD ARG 76 3.494 -8.245 7.670 603 HE ARG 76 HE ARG 76 5.804 -6.988 8.872 604 HH11 ARG 76 1HH1 ARG 76 2.637 -8.405 9.392 605 HH12 ARG 76 2HH1 ARG 76 2.904 -8.660 11.090 606 HH21 ARG 76 1HH2 ARG 76 6.147 -7.339 11.105 607 HH22 ARG 76 2HH2 ARG 76 4.902 -8.072 12.059 608 H ALA 77 H ALA 77 4.940 -10.555 4.242 609 HA ALA 77 HA ALA 77 6.448 -12.717 5.188 610 HB1 ALA 77 1HB ALA 77 4.239 -12.685 3.143 611 HB2 ALA 77 2HB ALA 77 4.050 -12.837 4.890 612 HB3 ALA 77 3HB ALA 77 4.844 -14.118 3.973 613 H VAL 78 H VAL 78 8.384 -13.172 4.496 614 HA VAL 78 HA VAL 78 9.333 -12.774 1.855 615 HB VAL 78 HB VAL 78 10.478 -14.565 4.010 616 HG11 VAL 78 1HG1 VAL 78 12.598 -14.300 2.813 617 HG12 VAL 78 2HG1 VAL 78 11.769 -13.386 1.554 618 HG13 VAL 78 3HG1 VAL 78 11.380 -15.087 1.810 619 HG21 VAL 78 3HG2 VAL 78 11.115 -11.695 3.339 620 HG22 VAL 78 1HG2 VAL 78 11.925 -12.679 4.556 621 HG23 VAL 78 2HG2 VAL 78 10.227 -12.247 4.758 622 H LYS 79 H LYS 79 7.992 -15.558 3.548 623 HA LYS 79 HA LYS 79 8.580 -17.444 1.500 624 HB2 LYS 79 2HB LYS 79 8.208 -18.161 3.799 625 HB3 LYS 79 1HB LYS 79 6.564 -17.551 3.750 626 HG2 LYS 79 2HG LYS 79 6.610 -19.965 3.528 627 HG3 LYS 79 1HG LYS 79 5.982 -19.211 2.064 628 HD2 LYS 79 2HD LYS 79 7.486 -21.001 1.464 629 HD3 LYS 79 1HD LYS 79 8.214 -19.457 1.024 630 HE2 LYS 79 2HE LYS 79 9.854 -20.952 2.037 631 HE3 LYS 79 1HE LYS 79 9.593 -19.524 3.036 632 HZ1 LYS 79 3HZ LYS 79 9.689 -21.627 4.301 633 HZ2 LYS 79 1HZ LYS 79 8.287 -22.146 3.509 634 HZ3 LYS 79 2HZ LYS 79 8.236 -20.792 4.518 635 H ASN 80 H ASN 80 6.031 -15.147 1.989 636 HA ASN 80 HA ASN 80 4.069 -16.321 0.328 637 HB2 ASN 80 2HB ASN 80 3.735 -14.430 1.970 638 HB3 ASN 80 1HB ASN 80 4.466 -13.366 0.772 639 HD21 ASN 80 1HD2 ASN 80 2.457 -12.230 0.854 640 HD22 ASN 80 2HD2 ASN 80 1.120 -12.816 -0.085 641 H SER 81 H SER 81 6.695 -14.035 -0.318 642 HA SER 81 HA SER 81 8.102 -13.939 -2.077 643 HB2 SER 81 2HB SER 81 8.070 -16.372 -2.028 644 HB3 SER 81 1HB SER 81 6.620 -16.391 -3.027 645 HG SER 81 HG SER 81 8.138 -16.620 -4.510 646 H SER 82 H SER 82 5.508 -15.247 -4.085 647 HA SER 82 HA SER 82 5.968 -13.091 -5.935 648 HB2 SER 82 2HB SER 82 4.082 -15.449 -6.122 649 HB3 SER 82 1HB SER 82 4.543 -14.378 -7.447 650 HG SER 82 HG SER 82 6.803 -15.107 -6.634 651 H VAL 83 H VAL 83 5.101 -11.651 -4.122 652 HA VAL 83 HA VAL 83 2.352 -10.971 -4.851 653 HB VAL 83 HB VAL 83 2.103 -12.155 -2.758 654 HG11 VAL 83 1HG1 VAL 83 3.250 -11.420 -0.709 655 HG12 VAL 83 2HG1 VAL 83 4.201 -10.287 -1.669 656 HG13 VAL 83 3HG1 VAL 83 4.368 -12.023 -1.933 657 HG21 VAL 83 3HG2 VAL 83 1.116 -10.402 -1.352 658 HG22 VAL 83 1HG2 VAL 83 0.695 -10.191 -3.052 659 HG23 VAL 83 2HG2 VAL 83 1.934 -9.173 -2.317 660 H GLN 84 H GLN 84 2.151 -8.863 -5.296 661 HA GLN 84 HA GLN 84 4.276 -7.040 -4.374 662 HB2 GLN 84 2HB GLN 84 2.988 -6.967 -7.110 663 HB3 GLN 84 1HB GLN 84 4.291 -5.941 -6.532 664 HG2 GLN 84 2HG GLN 84 4.446 -8.904 -7.023 665 HG3 GLN 84 1HG GLN 84 5.119 -7.638 -8.046 666 HE21 GLN 84 1HE2 GLN 84 6.444 -9.857 -6.731 667 HE22 GLN 84 2HE2 GLN 84 7.656 -9.162 -5.714 668 H PHE 85 H PHE 85 3.578 -5.112 -3.610 669 HA PHE 85 HA PHE 85 0.740 -4.467 -4.026 670 HB2 PHE 85 2HB PHE 85 2.511 -3.970 -1.643 671 HB3 PHE 85 1HB PHE 85 1.036 -3.047 -1.914 672 HD1 PHE 85 2HD PHE 85 -1.145 -4.127 -1.810 673 HD2 PHE 85 1HD PHE 85 2.429 -6.260 -0.940 674 HE1 PHE 85 2HE PHE 85 -2.471 -5.907 -0.752 675 HE2 PHE 85 1HE PHE 85 1.110 -8.046 0.120 676 HZ PHE 85 HZ PHE 85 -1.342 -7.870 0.215 677 H HIS 86 H HIS 86 0.349 -2.779 -5.198 678 HA HIS 86 HA HIS 86 2.515 -0.889 -5.776 679 HB2 HIS 86 2HB HIS 86 -0.193 -1.298 -7.071 680 HB3 HIS 86 1HB HIS 86 0.940 -0.036 -7.533 681 HD1 HIS 86 1HD HIS 86 1.878 -0.676 -9.707 682 HD2 HIS 86 2HD HIS 86 1.549 -3.930 -7.150 683 HE1 HIS 86 1HE HIS 86 2.845 -2.626 -10.967 684 HE2 HIS 86 2HE HIS 86 2.377 -4.621 -9.493 685 H VAL 87 H VAL 87 2.592 0.715 -4.277 686 HA VAL 87 HA VAL 87 0.055 1.784 -3.312 687 HB VAL 87 HB VAL 87 2.911 2.383 -2.521 688 HG11 VAL 87 1HG1 VAL 87 1.649 4.462 -2.461 689 HG12 VAL 87 2HG1 VAL 87 1.975 3.896 -0.823 690 HG13 VAL 87 3HG1 VAL 87 0.373 3.678 -1.530 691 HG21 VAL 87 3HG2 VAL 87 2.184 1.516 -0.343 692 HG22 VAL 87 1HG2 VAL 87 1.991 0.313 -1.621 693 HG23 VAL 87 2HG2 VAL 87 0.586 1.192 -1.014 694 H ILE 88 H ILE 88 -0.879 3.079 -4.680 695 HA ILE 88 HA ILE 88 0.730 4.948 -6.246 696 HB ILE 88 HB ILE 88 -2.172 4.126 -6.472 697 HG12 ILE 88 2HG1 ILE 88 -1.279 3.574 -8.859 698 HG13 ILE 88 1HG1 ILE 88 0.306 3.614 -8.087 699 HG21 ILE 88 1HG2 ILE 88 -2.005 6.492 -6.953 700 HG22 ILE 88 2HG2 ILE 88 -2.317 5.577 -8.429 701 HG23 ILE 88 3HG2 ILE 88 -0.696 6.184 -8.095 702 HD11 ILE 88 3HD1 ILE 88 -1.994 1.832 -7.325 703 HD12 ILE 88 1HD1 ILE 88 -0.411 1.864 -6.550 704 HD13 ILE 88 2HD1 ILE 88 -0.558 1.356 -8.232 705 H PHE 89 H PHE 89 0.513 7.115 -6.007 706 HA PHE 89 HA PHE 89 -0.964 7.951 -3.636 707 HB2 PHE 89 2HB PHE 89 1.333 9.180 -5.141 708 HB3 PHE 89 1HB PHE 89 0.440 10.043 -3.905 709 HD1 PHE 89 1HD PHE 89 0.269 9.039 -1.612 710 HD2 PHE 89 2HD PHE 89 3.012 7.655 -4.554 711 HE1 PHE 89 1HE PHE 89 1.563 7.900 0.136 712 HE2 PHE 89 2HE PHE 89 4.314 6.520 -2.806 713 HZ PHE 89 HZ PHE 89 3.569 6.642 -0.469 714 H ASP 90 H ASP 90 -2.893 8.719 -4.020 715 HA ASP 90 HA ASP 90 -3.775 9.279 -6.685 716 HB2 ASP 90 2HB ASP 90 -5.130 8.158 -4.830 717 HB3 ASP 90 1HB ASP 90 -5.322 9.763 -4.137 718 H GLU 91 H GLU 91 -4.560 11.284 -7.475 719 HA GLU 91 HA GLU 91 -2.752 13.349 -6.609 720 HB2 GLU 91 2HB GLU 91 -3.415 12.620 -9.032 721 HB3 GLU 91 1HB GLU 91 -4.801 13.669 -8.784 722 HG2 GLU 91 2HG GLU 91 -1.947 14.572 -8.508 723 HG3 GLU 91 1HG GLU 91 -2.887 14.706 -9.993 724 H GLU 92 H GLU 92 -3.241 14.695 -5.103 725 HA GLU 92 HA GLU 92 -5.783 15.984 -4.809 726 HB2 GLU 92 2HB GLU 92 -4.952 13.722 -3.028 727 HB3 GLU 92 1HB GLU 92 -5.794 15.092 -2.313 728 HG2 GLU 92 2HG GLU 92 -6.881 13.604 -4.677 729 HG3 GLU 92 1HG GLU 92 -7.182 13.092 -3.019 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 11.655 -23.667 -11.090 2 H2 GLY 1 2HT GLY 1 11.562 -22.534 -9.842 3 H3 GLY 1 3HT GLY 1 12.481 -22.199 -11.219 4 HA2 GLY 1 1HA GLY 1 10.503 -22.167 -12.587 5 HA3 GLY 1 2HA GLY 1 9.538 -22.548 -11.169 6 H SER 2 H SER 2 8.386 -20.562 -11.773 7 HA SER 2 HA SER 2 9.634 -18.028 -11.647 8 HB2 SER 2 2HB SER 2 6.731 -18.734 -11.154 9 HB3 SER 2 1HB SER 2 7.362 -17.140 -11.561 10 HG SER 2 HG SER 2 8.181 -18.198 -13.533 11 H ALA 3 H ALA 3 7.459 -19.623 -9.301 12 HA ALA 3 HA ALA 3 9.107 -18.827 -7.094 13 HB1 ALA 3 1HB ALA 3 6.389 -17.551 -7.368 14 HB2 ALA 3 2HB ALA 3 7.938 -16.721 -7.514 15 HB3 ALA 3 3HB ALA 3 7.460 -17.429 -5.972 16 H MET 4 H MET 4 8.899 -20.288 -5.531 17 HA MET 4 HA MET 4 7.012 -22.414 -5.794 18 HB2 MET 4 2HB MET 4 8.020 -23.235 -3.660 19 HB3 MET 4 1HB MET 4 9.189 -22.942 -4.939 20 HG2 MET 4 2HG MET 4 9.710 -20.758 -3.894 21 HG3 MET 4 1HG MET 4 8.633 -21.182 -2.564 22 HE1 MET 4 3HE MET 4 12.204 -21.505 -0.967 23 HE2 MET 4 1HE MET 4 10.642 -20.692 -0.896 24 HE3 MET 4 2HE MET 4 11.749 -20.355 -2.224 25 H GLY 5 H GLY 5 5.048 -22.581 -4.971 26 HA2 GLY 5 2HA GLY 5 3.431 -22.387 -3.247 27 HA3 GLY 5 1HA GLY 5 4.332 -21.024 -2.594 28 H HIS 6 H HIS 6 4.635 -19.669 -5.110 29 HA HIS 6 HA HIS 6 1.900 -19.038 -5.902 30 HB2 HIS 6 2HB HIS 6 3.784 -17.122 -4.557 31 HB3 HIS 6 1HB HIS 6 2.573 -16.538 -5.692 32 HD1 HIS 6 1HD HIS 6 3.003 -17.743 -2.219 33 HD2 HIS 6 2HD HIS 6 -0.122 -16.897 -4.827 34 HE1 HIS 6 1HE HIS 6 0.948 -17.580 -0.783 35 HE2 HIS 6 2HE HIS 6 -0.884 -16.848 -2.351 36 H MET 7 H MET 7 2.674 -20.076 -7.852 37 HA MET 7 HA MET 7 4.784 -18.996 -9.378 38 HB2 MET 7 2HB MET 7 2.424 -20.700 -10.133 39 HB3 MET 7 1HB MET 7 3.583 -20.141 -11.329 40 HG2 MET 7 2HG MET 7 4.259 -21.773 -8.893 41 HG3 MET 7 1HG MET 7 4.038 -22.418 -10.518 42 HE1 MET 7 3HE MET 7 6.442 -23.575 -10.370 43 HE2 MET 7 1HE MET 7 6.621 -22.926 -8.739 44 HE3 MET 7 2HE MET 7 7.909 -22.703 -9.922 45 HA PRO 8 HA PRO 8 1.453 -16.305 -11.625 46 HB2 PRO 8 2HB PRO 8 -0.750 -16.105 -9.697 47 HB3 PRO 8 1HB PRO 8 -0.809 -16.438 -11.430 48 HG2 PRO 8 2HG PRO 8 -1.354 -18.334 -9.606 49 HG3 PRO 8 1HG PRO 8 -0.546 -18.708 -11.139 50 HD2 PRO 8 2HD PRO 8 0.642 -18.366 -8.407 51 HD3 PRO 8 1HD PRO 8 1.000 -19.587 -9.647 52 H ALA 9 H ALA 9 2.024 -14.240 -11.466 53 HA ALA 9 HA ALA 9 2.798 -13.171 -8.886 54 HB1 ALA 9 1HB ALA 9 3.715 -11.305 -10.163 55 HB2 ALA 9 2HB ALA 9 2.989 -11.947 -11.635 56 HB3 ALA 9 3HB ALA 9 4.266 -12.848 -10.817 57 H VAL 10 H VAL 10 1.534 -11.951 -7.663 58 HA VAL 10 HA VAL 10 -0.729 -10.548 -8.935 59 HB VAL 10 HB VAL 10 -0.751 -11.995 -6.278 60 HG11 VAL 10 1HG1 VAL 10 -2.916 -10.363 -7.604 61 HG12 VAL 10 2HG1 VAL 10 -2.032 -9.937 -6.137 62 HG13 VAL 10 3HG1 VAL 10 -3.113 -11.332 -6.144 63 HG21 VAL 10 3HG2 VAL 10 -0.947 -13.504 -8.182 64 HG22 VAL 10 1HG2 VAL 10 -2.271 -12.534 -8.829 65 HG23 VAL 10 2HG2 VAL 10 -2.475 -13.401 -7.306 66 H ASP 11 H ASP 11 -0.700 -8.420 -8.577 67 HA ASP 11 HA ASP 11 0.586 -7.463 -6.113 68 HB2 ASP 11 2HB ASP 11 1.274 -5.439 -7.250 69 HB3 ASP 11 1HB ASP 11 1.874 -6.829 -8.144 70 H VAL 12 H VAL 12 -0.586 -6.228 -4.815 71 HA VAL 12 HA VAL 12 -3.321 -5.576 -5.629 72 HB VAL 12 HB VAL 12 -2.026 -5.429 -2.895 73 HG11 VAL 12 1HG1 VAL 12 -4.312 -5.215 -2.051 74 HG12 VAL 12 2HG1 VAL 12 -4.921 -5.188 -3.706 75 HG13 VAL 12 3HG1 VAL 12 -3.893 -3.879 -3.123 76 HG21 VAL 12 3HG2 VAL 12 -3.313 -7.450 -2.387 77 HG22 VAL 12 1HG2 VAL 12 -2.172 -7.724 -3.704 78 HG23 VAL 12 2HG2 VAL 12 -3.886 -7.502 -4.054 79 H GLU 13 H GLU 13 -3.794 -3.553 -6.264 80 HA GLU 13 HA GLU 13 -1.753 -1.511 -5.800 81 HB2 GLU 13 2HB GLU 13 -2.951 -0.335 -7.723 82 HB3 GLU 13 1HB GLU 13 -2.032 -1.780 -8.111 83 HG2 GLU 13 2HG GLU 13 -4.103 -3.086 -8.115 84 HG3 GLU 13 1HG GLU 13 -5.015 -1.622 -7.757 85 H ILE 14 H ILE 14 -2.150 -0.171 -4.241 86 HA ILE 14 HA ILE 14 -4.935 0.507 -3.599 87 HB ILE 14 HB ILE 14 -2.593 1.191 -1.835 88 HG12 ILE 14 2HG1 ILE 14 -4.123 -1.431 -1.760 89 HG13 ILE 14 1HG1 ILE 14 -2.485 -1.256 -2.376 90 HG21 ILE 14 1HG2 ILE 14 -4.305 1.040 -0.078 91 HG22 ILE 14 2HG2 ILE 14 -5.504 0.607 -1.296 92 HG23 ILE 14 3HG2 ILE 14 -4.745 2.198 -1.333 93 HD11 ILE 14 3HD1 ILE 14 -3.388 -0.770 0.455 94 HD12 ILE 14 1HD1 ILE 14 -1.746 -0.525 -0.149 95 HD13 ILE 14 2HD1 ILE 14 -2.449 -2.144 -0.134 96 H HIS 15 H HIS 15 -5.558 2.686 -3.547 97 HA HIS 15 HA HIS 15 -3.567 4.546 -4.666 98 HB2 HIS 15 2HB HIS 15 -6.572 4.525 -5.001 99 HB3 HIS 15 1HB HIS 15 -5.521 5.817 -5.567 100 HD1 HIS 15 1HD HIS 15 -6.731 2.430 -6.420 101 HD2 HIS 15 2HD HIS 15 -3.832 5.097 -7.757 102 HE1 HIS 15 1HE HIS 15 -5.978 1.543 -8.643 103 HE2 HIS 15 2HE HIS 15 -4.440 3.322 -9.547 104 H PHE 16 H PHE 16 -2.826 5.897 -3.219 105 HA PHE 16 HA PHE 16 -4.535 6.679 -0.956 106 HB2 PHE 16 2HB PHE 16 -1.541 6.639 -1.322 107 HB3 PHE 16 1HB PHE 16 -2.310 7.499 -0.001 108 HD1 PHE 16 2HD PHE 16 -4.427 4.880 -0.273 109 HD2 PHE 16 1HD PHE 16 -0.369 5.654 0.742 110 HE1 PHE 16 2HE PHE 16 -4.384 2.846 1.106 111 HE2 PHE 16 1HE PHE 16 -0.322 3.626 2.124 112 HZ PHE 16 HZ PHE 16 -2.328 2.222 2.308 113 HA PRO 17 HA PRO 17 -4.822 10.721 -2.940 114 HB2 PRO 17 2HB PRO 17 -5.853 11.415 -0.245 115 HB3 PRO 17 1HB PRO 17 -6.571 11.708 -1.832 116 HG2 PRO 17 2HG PRO 17 -7.543 9.820 -0.219 117 HG3 PRO 17 1HG PRO 17 -7.458 9.573 -1.974 118 HD2 PRO 17 2HD PRO 17 -5.684 8.499 0.179 119 HD3 PRO 17 1HD PRO 17 -6.276 7.704 -1.291 120 H LEU 18 H LEU 18 -3.058 11.824 -3.121 121 HA LEU 18 HA LEU 18 -0.767 11.693 -1.646 122 HB2 LEU 18 2HB LEU 18 -1.189 12.637 -3.973 123 HB3 LEU 18 1HB LEU 18 -1.652 14.129 -3.194 124 HG LEU 18 HG LEU 18 0.630 14.182 -4.125 125 HD11 LEU 18 1HD1 LEU 18 0.564 14.388 -1.126 126 HD12 LEU 18 2HD1 LEU 18 0.108 15.650 -2.270 127 HD13 LEU 18 3HD1 LEU 18 1.780 15.097 -2.186 128 HD21 LEU 18 3HD2 LEU 18 1.297 11.909 -3.864 129 HD22 LEU 18 1HD2 LEU 18 1.174 12.021 -2.108 130 HD23 LEU 18 2HD2 LEU 18 2.416 12.932 -2.965 131 H LYS 19 H LYS 19 -3.374 14.027 -1.302 132 HA LYS 19 HA LYS 19 -1.937 15.811 0.373 133 HB2 LYS 19 2HB LYS 19 -4.913 15.533 -0.046 134 HB3 LYS 19 1HB LYS 19 -4.092 16.928 0.634 135 HG2 LYS 19 2HG LYS 19 -3.137 17.512 -1.418 136 HG3 LYS 19 1HG LYS 19 -3.459 15.925 -2.117 137 HD2 LYS 19 2HD LYS 19 -5.004 17.548 -3.026 138 HD3 LYS 19 1HD LYS 19 -5.873 16.401 -2.012 139 HE2 LYS 19 2HE LYS 19 -6.567 18.748 -1.742 140 HE3 LYS 19 1HE LYS 19 -6.025 17.994 -0.244 141 HZ1 LYS 19 3HZ LYS 19 -3.903 19.111 -0.496 142 HZ2 LYS 19 1HZ LYS 19 -5.155 20.245 -0.505 143 HZ3 LYS 19 2HZ LYS 19 -4.400 19.805 -1.951 144 H ARG 20 H ARG 20 -4.117 13.115 1.011 145 HA ARG 20 HA ARG 20 -4.313 13.877 3.810 146 HB2 ARG 20 2HB ARG 20 -5.992 12.192 4.028 147 HB3 ARG 20 1HB ARG 20 -6.298 13.052 2.529 148 HG2 ARG 20 2HG ARG 20 -6.534 10.982 1.699 149 HG3 ARG 20 1HG ARG 20 -4.770 11.027 1.619 150 HD2 ARG 20 2HD ARG 20 -4.985 10.179 4.105 151 HD3 ARG 20 1HD ARG 20 -6.561 9.626 3.535 152 HE ARG 20 HE ARG 20 -5.244 8.446 1.750 153 HH11 ARG 20 1HH1 ARG 20 -3.920 9.160 4.895 154 HH12 ARG 20 2HH1 ARG 20 -2.846 7.802 4.900 155 HH21 ARG 20 1HH2 ARG 20 -3.820 6.652 1.733 156 HH22 ARG 20 2HH2 ARG 20 -2.788 6.371 3.092 157 H ILE 21 H ILE 21 -2.631 11.515 1.832 158 HA ILE 21 HA ILE 21 -1.892 9.873 4.067 159 HB ILE 21 HB ILE 21 -1.919 8.891 1.835 160 HG12 ILE 21 2HG1 ILE 21 0.214 7.712 1.873 161 HG13 ILE 21 1HG1 ILE 21 0.926 8.972 2.876 162 HG21 ILE 21 1HG2 ILE 21 0.261 10.867 1.213 163 HG22 ILE 21 2HG2 ILE 21 -1.315 10.716 0.439 164 HG23 ILE 21 3HG2 ILE 21 -0.095 9.463 0.210 165 HD11 ILE 21 3HD1 ILE 21 -1.308 7.123 3.681 166 HD12 ILE 21 1HD1 ILE 21 -0.574 8.363 4.696 167 HD13 ILE 21 2HD1 ILE 21 0.383 6.981 4.162 168 H ALA 22 H ALA 22 -0.696 12.744 2.551 169 HA ALA 22 HA ALA 22 1.849 12.700 3.927 170 HB1 ALA 22 1HB ALA 22 2.208 14.882 2.905 171 HB2 ALA 22 2HB ALA 22 0.539 14.904 2.338 172 HB3 ALA 22 3HB ALA 22 1.669 13.712 1.702 173 H ALA 23 H ALA 23 -1.001 12.869 5.185 174 HA ALA 23 HA ALA 23 -0.429 15.170 6.933 175 HB1 ALA 23 1HB ALA 23 -2.851 15.442 7.201 176 HB2 ALA 23 2HB ALA 23 -3.124 14.129 6.061 177 HB3 ALA 23 3HB ALA 23 -2.362 15.625 5.517 178 H GLU 24 H GLU 24 -1.746 14.935 9.017 179 HA GLU 24 HA GLU 24 -1.589 12.166 9.964 180 HB2 GLU 24 2HB GLU 24 -1.196 13.174 12.247 181 HB3 GLU 24 1HB GLU 24 0.127 13.347 11.108 182 HG2 GLU 24 2HG GLU 24 -0.553 15.652 10.668 183 HG3 GLU 24 1HG GLU 24 -1.877 15.473 11.820 184 H GLY 25 H GLY 25 -3.231 11.498 11.385 185 HA2 GLY 25 2HA GLY 25 -5.454 11.625 12.204 186 HA3 GLY 25 1HA GLY 25 -5.664 13.133 11.315 187 H TYR 26 H TYR 26 -4.081 10.502 9.806 188 HA TYR 26 HA TYR 26 -5.718 10.494 7.556 189 HB2 TYR 26 2HB TYR 26 -4.530 8.355 6.966 190 HB3 TYR 26 1HB TYR 26 -3.462 9.699 7.371 191 HD1 TYR 26 2HD TYR 26 -2.138 9.660 9.419 192 HD2 TYR 26 1HD TYR 26 -4.701 6.415 8.413 193 HE1 TYR 26 2HE TYR 26 -1.020 8.258 11.102 194 HE2 TYR 26 1HE TYR 26 -3.589 5.008 10.093 195 HH TYR 26 HH TYR 26 -1.563 6.249 12.476 196 H ALA 27 H ALA 27 -6.147 8.959 10.585 197 HA ALA 27 HA ALA 27 -7.710 6.736 9.820 198 HB1 ALA 27 1HB ALA 27 -8.434 6.669 12.135 199 HB2 ALA 27 2HB ALA 27 -7.823 8.304 12.395 200 HB3 ALA 27 3HB ALA 27 -6.701 6.989 12.048 201 H GLU 28 H GLU 28 -8.370 10.099 9.889 202 HA GLU 28 HA GLU 28 -11.254 9.710 9.978 203 HB2 GLU 28 2HB GLU 28 -9.617 12.239 9.740 204 HB3 GLU 28 1HB GLU 28 -11.365 12.172 9.923 205 HG2 GLU 28 2HG GLU 28 -11.070 11.050 12.092 206 HG3 GLU 28 1HG GLU 28 -9.325 11.211 11.913 207 H ASP 29 H ASP 29 -8.967 9.384 7.671 208 HA ASP 29 HA ASP 29 -10.447 10.632 5.506 209 HB2 ASP 29 2HB ASP 29 -7.915 10.453 5.437 210 HB3 ASP 29 1HB ASP 29 -8.118 8.711 5.290 211 H GLU 30 H GLU 30 -12.328 9.686 5.025 212 HA GLU 30 HA GLU 30 -12.935 6.998 5.649 213 HB2 GLU 30 2HB GLU 30 -14.681 8.691 5.514 214 HB3 GLU 30 1HB GLU 30 -14.339 8.941 3.807 215 HG2 GLU 30 2HG GLU 30 -15.068 6.683 3.306 216 HG3 GLU 30 1HG GLU 30 -15.361 6.383 5.018 217 H LEU 31 H LEU 31 -11.610 8.589 2.894 218 HA LEU 31 HA LEU 31 -12.040 6.647 0.930 219 HB2 LEU 31 2HB LEU 31 -10.573 9.080 1.253 220 HB3 LEU 31 1HB LEU 31 -9.522 7.882 0.524 221 HG LEU 31 HG LEU 31 -12.230 8.663 -0.548 222 HD11 LEU 31 1HD1 LEU 31 -10.613 10.487 -0.738 223 HD12 LEU 31 2HD1 LEU 31 -10.986 9.790 -2.313 224 HD13 LEU 31 3HD1 LEU 31 -9.469 9.392 -1.510 225 HD21 LEU 31 3HD2 LEU 31 -11.507 7.383 -2.507 226 HD22 LEU 31 1HD2 LEU 31 -11.611 6.382 -1.058 227 HD23 LEU 31 2HD2 LEU 31 -10.038 6.921 -1.644 228 H LEU 32 H LEU 32 -9.494 7.119 3.313 229 HA LEU 32 HA LEU 32 -7.819 5.053 2.353 230 HB2 LEU 32 2HB LEU 32 -6.945 6.919 3.593 231 HB3 LEU 32 1HB LEU 32 -7.984 6.557 4.959 232 HG LEU 32 HG LEU 32 -6.755 4.507 5.358 233 HD11 LEU 32 1HD1 LEU 32 -4.683 4.039 4.146 234 HD12 LEU 32 2HD1 LEU 32 -5.012 5.404 3.079 235 HD13 LEU 32 3HD1 LEU 32 -6.085 4.005 3.078 236 HD21 LEU 32 3HD2 LEU 32 -4.650 5.520 6.109 237 HD22 LEU 32 1HD2 LEU 32 -6.056 6.510 6.507 238 HD23 LEU 32 2HD2 LEU 32 -5.022 6.949 5.145 239 H LEU 33 H LEU 33 -10.260 5.296 4.887 240 HA LEU 33 HA LEU 33 -9.725 2.805 6.074 241 HB2 LEU 33 2HB LEU 33 -11.736 4.894 6.281 242 HB3 LEU 33 1HB LEU 33 -12.313 3.297 6.699 243 HG LEU 33 HG LEU 33 -11.530 4.539 8.665 244 HD11 LEU 33 1HD1 LEU 33 -11.387 2.099 8.649 245 HD12 LEU 33 2HD1 LEU 33 -10.094 2.824 9.602 246 HD13 LEU 33 3HD1 LEU 33 -9.755 2.203 7.989 247 HD21 LEU 33 3HD2 LEU 33 -9.831 5.915 7.596 248 HD22 LEU 33 1HD2 LEU 33 -8.843 4.485 7.300 249 HD23 LEU 33 2HD2 LEU 33 -9.148 5.020 8.953 250 H ASN 34 H ASN 34 -12.181 3.781 3.675 251 HA ASN 34 HA ASN 34 -13.285 1.143 3.568 252 HB2 ASN 34 2HB ASN 34 -14.801 1.927 1.989 253 HB3 ASN 34 1HB ASN 34 -14.434 3.384 2.900 254 HD21 ASN 34 1HD2 ASN 34 -13.288 5.036 1.919 255 HD22 ASN 34 2HD2 ASN 34 -13.009 5.075 0.211 256 H GLN 35 H GLN 35 -10.819 2.879 1.807 257 HA GLN 35 HA GLN 35 -10.461 1.059 -0.316 258 HB2 GLN 35 2HB GLN 35 -9.452 3.489 0.424 259 HB3 GLN 35 1HB GLN 35 -8.077 2.440 0.727 260 HG2 GLN 35 2HG GLN 35 -7.732 2.030 -1.467 261 HG3 GLN 35 1HG GLN 35 -9.448 2.144 -1.863 262 HE21 GLN 35 1HE2 GLN 35 -8.047 4.646 0.049 263 HE22 GLN 35 2HE2 GLN 35 -7.987 5.859 -1.182 264 H MET 36 H MET 36 -8.921 1.379 2.859 265 HA MET 36 HA MET 36 -7.515 -1.144 2.494 266 HB2 MET 36 2HB MET 36 -7.472 0.817 4.793 267 HB3 MET 36 1HB MET 36 -6.501 -0.647 4.696 268 HG2 MET 36 2HG MET 36 -6.330 1.805 2.977 269 HG3 MET 36 1HG MET 36 -5.106 1.141 4.056 270 HE1 MET 36 3HE MET 36 -3.817 -1.188 3.555 271 HE2 MET 36 1HE MET 36 -4.096 -2.150 2.104 272 HE3 MET 36 2HE MET 36 -5.361 -2.011 3.326 273 H GLY 37 H GLY 37 -10.556 -0.395 3.242 274 HA2 GLY 37 2HA GLY 37 -10.871 -2.722 4.978 275 HA3 GLY 37 1HA GLY 37 -12.166 -1.702 4.351 276 H LYS 38 H LYS 38 -11.202 -1.713 1.656 277 HA LYS 38 HA LYS 38 -12.445 -4.082 0.693 278 HB2 LYS 38 2HB LYS 38 -10.932 -1.874 -0.676 279 HB3 LYS 38 1HB LYS 38 -11.663 -3.213 -1.551 280 HG2 LYS 38 2HG LYS 38 -13.117 -1.191 0.144 281 HG3 LYS 38 1HG LYS 38 -13.101 -1.266 -1.619 282 HD2 LYS 38 2HD LYS 38 -14.098 -3.565 -1.430 283 HD3 LYS 38 1HD LYS 38 -14.295 -3.261 0.297 284 HE2 LYS 38 2HE LYS 38 -15.533 -1.703 -1.967 285 HE3 LYS 38 1HE LYS 38 -16.365 -2.787 -0.853 286 HZ1 LYS 38 3HZ LYS 38 -15.625 -1.251 0.959 287 HZ2 LYS 38 1HZ LYS 38 -16.755 -0.598 -0.113 288 HZ3 LYS 38 2HZ LYS 38 -15.127 -0.169 -0.237 289 H VAL 39 H VAL 39 -9.218 -2.856 -0.203 290 HA VAL 39 HA VAL 39 -8.465 -5.583 -0.884 291 HB VAL 39 HB VAL 39 -6.371 -4.558 -1.772 292 HG11 VAL 39 1HG1 VAL 39 -8.291 -4.962 -3.213 293 HG12 VAL 39 2HG1 VAL 39 -7.440 -3.496 -3.697 294 HG13 VAL 39 3HG1 VAL 39 -8.951 -3.381 -2.796 295 HG21 VAL 39 3HG2 VAL 39 -6.227 -2.605 -0.343 296 HG22 VAL 39 1HG2 VAL 39 -7.722 -1.963 -1.027 297 HG23 VAL 39 2HG2 VAL 39 -6.282 -2.113 -2.035 298 H ASN 40 H ASN 40 -8.717 -5.982 1.491 299 HA ASN 40 HA ASN 40 -6.192 -5.953 2.848 300 HB2 ASN 40 2HB ASN 40 -7.030 -3.633 3.133 301 HB3 ASN 40 1HB ASN 40 -8.438 -4.283 3.970 302 HD21 ASN 40 1HD2 ASN 40 -4.971 -4.009 4.057 303 HD22 ASN 40 2HD2 ASN 40 -4.797 -4.213 5.763 304 H ASP 41 H ASP 41 -9.564 -6.732 2.673 305 HA ASP 41 HA ASP 41 -9.709 -8.179 5.120 306 HB2 ASP 41 2HB ASP 41 -11.713 -7.283 4.013 307 HB3 ASP 41 1HB ASP 41 -11.445 -8.352 2.640 308 H THR 42 H THR 42 -9.044 -9.040 1.758 309 HA THR 42 HA THR 42 -7.974 -11.597 2.715 310 HB THR 42 HB THR 42 -10.157 -12.112 1.808 311 HG1 THR 42 1HG THR 42 -8.640 -13.674 1.374 312 HG21 THR 42 3HG2 THR 42 -10.739 -11.687 -0.535 313 HG22 THR 42 1HG2 THR 42 -9.228 -10.800 -0.746 314 HG23 THR 42 2HG2 THR 42 -10.468 -10.185 0.345 315 HA PRO 43 HA PRO 43 -5.144 -9.357 -0.182 316 HB2 PRO 43 2HB PRO 43 -3.499 -8.166 1.507 317 HB3 PRO 43 1HB PRO 43 -5.148 -7.559 1.294 318 HG2 PRO 43 2HG PRO 43 -3.984 -9.136 3.532 319 HG3 PRO 43 1HG PRO 43 -5.250 -7.906 3.573 320 HD2 PRO 43 2HD PRO 43 -5.575 -10.725 3.524 321 HD3 PRO 43 1HD PRO 43 -6.832 -9.482 3.415 322 H GLU 44 H GLU 44 -4.975 -12.131 1.207 323 HA GLU 44 HA GLU 44 -3.584 -13.913 1.021 324 HB2 GLU 44 2HB GLU 44 -2.866 -12.969 -1.120 325 HB3 GLU 44 1HB GLU 44 -1.676 -11.975 -0.293 326 HG2 GLU 44 2HG GLU 44 -0.563 -13.846 -1.264 327 HG3 GLU 44 1HG GLU 44 -0.561 -14.045 0.487 328 H GLU 45 H GLU 45 -1.652 -11.057 1.877 329 HA GLU 45 HA GLU 45 0.207 -12.490 3.469 330 HB2 GLU 45 2HB GLU 45 0.867 -10.402 2.530 331 HB3 GLU 45 1HB GLU 45 -0.469 -9.562 3.276 332 HG2 GLU 45 2HG GLU 45 1.419 -8.941 4.503 333 HG3 GLU 45 1HG GLU 45 0.590 -10.130 5.503 334 H GLU 46 H GLU 46 -1.850 -9.914 4.771 335 HA GLU 46 HA GLU 46 -2.845 -11.701 6.844 336 HB2 GLU 46 2HB GLU 46 -1.253 -9.202 7.378 337 HB3 GLU 46 1HB GLU 46 -2.377 -9.856 8.556 338 HG2 GLU 46 2HG GLU 46 -1.111 -11.943 8.607 339 HG3 GLU 46 1HG GLU 46 0.009 -11.292 7.414 340 H GLY 47 H GLY 47 -2.929 -8.220 7.098 341 HA2 GLY 47 2HA GLY 47 -5.010 -7.443 5.560 342 HA3 GLY 47 1HA GLY 47 -5.805 -8.221 6.914 343 H MET 48 H MET 48 -5.675 -7.257 8.971 344 HA MET 48 HA MET 48 -5.843 -4.487 8.942 345 HB2 MET 48 2HB MET 48 -6.840 -6.049 10.654 346 HB3 MET 48 1HB MET 48 -5.252 -6.102 11.414 347 HG2 MET 48 2HG MET 48 -5.605 -3.438 11.232 348 HG3 MET 48 1HG MET 48 -7.277 -3.969 11.400 349 HE1 MET 48 3HE MET 48 -3.865 -5.336 12.880 350 HE2 MET 48 1HE MET 48 -3.909 -4.585 14.475 351 HE3 MET 48 2HE MET 48 -3.802 -3.578 13.031 352 HA PRO 49 HA PRO 49 -1.423 -4.208 10.852 353 HB2 PRO 49 2HB PRO 49 0.278 -6.266 10.368 354 HB3 PRO 49 1HB PRO 49 -0.725 -6.183 11.821 355 HG2 PRO 49 2HG PRO 49 -1.157 -7.739 9.307 356 HG3 PRO 49 1HG PRO 49 -1.423 -8.227 10.987 357 HD2 PRO 49 2HD PRO 49 -3.427 -7.448 9.345 358 HD3 PRO 49 1HD PRO 49 -3.459 -7.209 11.094 359 H LEU 50 H LEU 50 -2.147 -5.875 7.927 360 HA LEU 50 HA LEU 50 -0.016 -5.152 6.278 361 HB2 LEU 50 2HB LEU 50 -2.750 -6.107 6.003 362 HB3 LEU 50 1HB LEU 50 -2.267 -5.068 4.682 363 HG LEU 50 HG LEU 50 -0.674 -7.459 5.553 364 HD11 LEU 50 1HD1 LEU 50 -1.741 -8.398 3.421 365 HD12 LEU 50 2HD1 LEU 50 -2.956 -7.149 3.647 366 HD13 LEU 50 3HD1 LEU 50 -2.705 -8.372 4.893 367 HD21 LEU 50 3HD2 LEU 50 0.288 -7.240 3.326 368 HD22 LEU 50 1HD2 LEU 50 0.495 -5.734 4.223 369 HD23 LEU 50 2HD2 LEU 50 -0.767 -5.867 2.994 370 H ARG 51 H ARG 51 -3.113 -3.513 6.894 371 HA ARG 51 HA ARG 51 -2.390 -1.314 5.220 372 HB2 ARG 51 2HB ARG 51 -4.411 -0.228 5.994 373 HB3 ARG 51 1HB ARG 51 -4.746 -1.898 5.576 374 HG2 ARG 51 2HG ARG 51 -4.659 -2.457 7.994 375 HG3 ARG 51 1HG ARG 51 -4.489 -0.732 8.336 376 HD2 ARG 51 2HD ARG 51 -6.613 -0.329 7.130 377 HD3 ARG 51 1HD ARG 51 -6.791 -2.070 6.921 378 HE ARG 51 HE ARG 51 -6.493 -1.164 9.660 379 HH11 ARG 51 1HH1 ARG 51 -8.675 -2.072 7.073 380 HH12 ARG 51 2HH1 ARG 51 -10.035 -2.284 8.127 381 HH21 ARG 51 1HH2 ARG 51 -8.285 -1.445 11.047 382 HH22 ARG 51 2HH2 ARG 51 -9.812 -1.938 10.390 383 H ALA 52 H ALA 52 -2.189 -2.015 8.649 384 HA ALA 52 HA ALA 52 -1.434 0.499 9.567 385 HB1 ALA 52 1HB ALA 52 -1.945 -1.422 11.021 386 HB2 ALA 52 2HB ALA 52 -0.415 -0.653 11.439 387 HB3 ALA 52 3HB ALA 52 -0.421 -2.170 10.541 388 H TRP 53 H TRP 53 0.686 -2.163 8.369 389 HA TRP 53 HA TRP 53 2.981 -0.485 8.599 390 HB2 TRP 53 2HB TRP 53 4.301 -2.262 7.833 391 HB3 TRP 53 1HB TRP 53 3.029 -2.997 8.782 392 HD1 TRP 53 HD TRP 53 1.802 -4.984 7.696 393 HE1 TRP 53 1HE TRP 53 1.824 -6.081 5.360 394 HE3 TRP 53 3HE TRP 53 4.508 -1.483 5.151 395 HZ2 TRP 53 2HZ TRP 53 2.837 -5.536 2.804 396 HZ3 TRP 53 3HZ TRP 53 4.974 -1.852 2.774 397 HH2 TRP 53 HH TRP 53 4.145 -3.837 1.617 398 H VAL 54 H VAL 54 0.925 -1.463 5.907 399 HA VAL 54 HA VAL 54 2.442 -0.354 3.834 400 HB VAL 54 HB VAL 54 -0.371 -1.172 4.203 401 HG11 VAL 54 1HG1 VAL 54 -1.054 -0.357 1.984 402 HG12 VAL 54 2HG1 VAL 54 0.473 0.516 1.843 403 HG13 VAL 54 3HG1 VAL 54 -0.695 0.977 3.083 404 HG21 VAL 54 3HG2 VAL 54 1.317 -2.746 3.450 405 HG22 VAL 54 1HG2 VAL 54 1.661 -1.723 2.054 406 HG23 VAL 54 2HG2 VAL 54 0.085 -2.502 2.211 407 H ILE 55 H ILE 55 -0.259 1.073 5.673 408 HA ILE 55 HA ILE 55 -0.186 3.566 4.376 409 HB ILE 55 HB ILE 55 -1.248 2.764 7.081 410 HG12 ILE 55 2HG1 ILE 55 -2.706 3.466 4.532 411 HG13 ILE 55 1HG1 ILE 55 -2.269 1.821 4.983 412 HG21 ILE 55 1HG2 ILE 55 -2.453 4.879 7.129 413 HG22 ILE 55 2HG2 ILE 55 -1.639 5.392 5.649 414 HG23 ILE 55 3HG2 ILE 55 -0.710 5.143 7.128 415 HD11 ILE 55 3HD1 ILE 55 -3.667 1.959 6.947 416 HD12 ILE 55 1HD1 ILE 55 -4.595 2.363 5.504 417 HD13 ILE 55 2HD1 ILE 55 -4.048 3.642 6.585 418 H LYS 56 H LYS 56 1.429 2.389 7.330 419 HA LYS 56 HA LYS 56 2.498 4.942 7.976 420 HB2 LYS 56 2HB LYS 56 2.244 2.885 9.515 421 HB3 LYS 56 1HB LYS 56 3.780 2.363 8.830 422 HG2 LYS 56 2HG LYS 56 4.800 4.476 9.552 423 HG3 LYS 56 1HG LYS 56 3.266 4.951 10.276 424 HD2 LYS 56 2HD LYS 56 3.397 2.929 11.721 425 HD3 LYS 56 1HD LYS 56 5.010 2.624 11.069 426 HE2 LYS 56 2HE LYS 56 4.102 5.036 12.633 427 HE3 LYS 56 1HE LYS 56 5.215 3.783 13.173 428 HZ1 LYS 56 3HZ LYS 56 6.458 5.697 12.514 429 HZ2 LYS 56 1HZ LYS 56 5.680 5.768 11.015 430 HZ3 LYS 56 2HZ LYS 56 6.728 4.486 11.364 431 H CYS 57 H CYS 57 3.784 2.163 6.175 432 HA CYS 57 HA CYS 57 6.373 3.264 5.816 433 HB2 CYS 57 2HB CYS 57 4.899 1.185 4.191 434 HB3 CYS 57 1HB CYS 57 6.602 1.584 3.992 435 HG CYS 57 HG CYS 57 5.086 -0.039 6.562 436 H ALA 58 H ALA 58 3.431 3.334 3.829 437 HA ALA 58 HA ALA 58 4.522 4.772 1.661 438 HB1 ALA 58 1HB ALA 58 2.371 3.642 1.502 439 HB2 ALA 58 2HB ALA 58 2.188 5.358 1.135 440 HB3 ALA 58 3HB ALA 58 1.691 4.735 2.708 441 H HIS 59 H HIS 59 3.111 5.735 4.716 442 HA HIS 59 HA HIS 59 3.032 8.513 4.354 443 HB2 HIS 59 2HB HIS 59 2.129 6.965 6.267 444 HB3 HIS 59 1HB HIS 59 3.709 7.234 6.989 445 HD1 HIS 59 1HD HIS 59 1.242 8.177 8.454 446 HD2 HIS 59 2HD HIS 59 3.350 10.554 5.788 447 HE1 HIS 59 1HE HIS 59 0.674 10.543 9.076 448 HE2 HIS 59 2HE HIS 59 1.869 11.966 7.378 449 H GLU 60 H GLU 60 5.498 6.467 5.889 450 HA GLU 60 HA GLU 60 7.423 8.427 6.391 451 HB2 GLU 60 2HB GLU 60 7.797 5.489 5.779 452 HB3 GLU 60 1HB GLU 60 9.026 6.536 6.472 453 HG2 GLU 60 2HG GLU 60 6.369 6.083 7.784 454 HG3 GLU 60 1HG GLU 60 7.758 5.037 8.060 455 H ALA 61 H ALA 61 7.011 6.288 3.595 456 HA ALA 61 HA ALA 61 9.375 7.023 2.257 457 HB1 ALA 61 1HB ALA 61 8.397 5.953 0.297 458 HB2 ALA 61 2HB ALA 61 6.814 5.950 1.072 459 HB3 ALA 61 3HB ALA 61 8.125 4.980 1.740 460 H LEU 62 H LEU 62 6.078 8.277 2.066 461 HA LEU 62 HA LEU 62 6.567 9.907 -0.202 462 HB2 LEU 62 2HB LEU 62 4.324 9.130 0.547 463 HB3 LEU 62 1HB LEU 62 4.423 10.263 1.884 464 HG LEU 62 HG LEU 62 4.847 11.988 -0.090 465 HD11 LEU 62 1HD1 LEU 62 4.800 10.186 -1.794 466 HD12 LEU 62 2HD1 LEU 62 3.612 11.461 -2.068 467 HD13 LEU 62 3HD1 LEU 62 3.102 9.911 -1.394 468 HD21 LEU 62 3HD2 LEU 62 2.469 12.496 -0.062 469 HD22 LEU 62 1HD2 LEU 62 3.058 12.118 1.557 470 HD23 LEU 62 2HD2 LEU 62 2.134 10.919 0.654 471 H GLU 63 H GLU 63 6.548 10.590 3.298 472 HA GLU 63 HA GLU 63 6.745 13.398 2.971 473 HB2 GLU 63 2HB GLU 63 7.513 11.679 5.335 474 HB3 GLU 63 1HB GLU 63 7.408 13.433 5.363 475 HG2 GLU 63 2HG GLU 63 4.996 13.205 4.721 476 HG3 GLU 63 1HG GLU 63 5.170 11.467 4.968 477 H LYS 64 H LYS 64 9.189 10.880 3.083 478 HA LYS 64 HA LYS 64 11.323 12.742 3.619 479 HB2 LYS 64 2HB LYS 64 11.437 9.842 2.775 480 HB3 LYS 64 1HB LYS 64 12.818 10.806 3.283 481 HG2 LYS 64 2HG LYS 64 10.454 9.982 4.954 482 HG3 LYS 64 1HG LYS 64 12.131 9.459 5.127 483 HD2 LYS 64 2HD LYS 64 12.788 11.734 5.720 484 HD3 LYS 64 1HD LYS 64 11.125 12.280 5.510 485 HE2 LYS 64 2HE LYS 64 10.443 10.694 7.297 486 HE3 LYS 64 1HE LYS 64 12.143 10.320 7.559 487 HZ1 LYS 64 3HZ LYS 64 12.520 12.663 8.081 488 HZ2 LYS 64 1HZ LYS 64 11.389 11.969 9.128 489 HZ3 LYS 64 2HZ LYS 64 10.875 12.983 7.879 490 H ASN 65 H ASN 65 9.727 11.550 0.838 491 HA ASN 65 HA ASN 65 11.325 13.373 -0.760 492 HB2 ASN 65 2HB ASN 65 11.394 11.659 -2.651 493 HB3 ASN 65 1HB ASN 65 12.510 11.406 -1.317 494 HD21 ASN 65 1HD2 ASN 65 9.633 10.290 -2.893 495 HD22 ASN 65 2HD2 ASN 65 9.564 8.736 -2.144 496 HA PRO 66 HA PRO 66 6.727 13.428 -1.193 497 HB2 PRO 66 2HB PRO 66 6.280 15.986 -0.562 498 HB3 PRO 66 1HB PRO 66 6.662 14.792 0.679 499 HG2 PRO 66 2HG PRO 66 8.467 16.801 -0.624 500 HG3 PRO 66 1HG PRO 66 8.318 16.380 1.093 501 HD2 PRO 66 2HD PRO 66 10.262 15.378 -0.556 502 HD3 PRO 66 1HD PRO 66 9.656 14.530 0.880 503 H LYS 67 H LYS 67 8.418 13.443 -3.382 504 HA LYS 67 HA LYS 67 7.100 15.415 -5.129 505 HB2 LYS 67 2HB LYS 67 9.927 14.362 -5.405 506 HB3 LYS 67 1HB LYS 67 9.133 15.477 -6.507 507 HG2 LYS 67 2HG LYS 67 9.047 17.174 -4.795 508 HG3 LYS 67 1HG LYS 67 9.718 16.053 -3.611 509 HD2 LYS 67 2HD LYS 67 11.765 15.884 -4.980 510 HD3 LYS 67 1HD LYS 67 11.092 17.074 -6.094 511 HE2 LYS 67 2HE LYS 67 11.613 17.544 -3.162 512 HE3 LYS 67 1HE LYS 67 12.680 18.053 -4.469 513 HZ1 LYS 67 3HZ LYS 67 9.873 18.947 -4.093 514 HZ2 LYS 67 1HZ LYS 67 10.913 19.453 -5.325 515 HZ3 LYS 67 2HZ LYS 67 11.246 19.852 -3.714 516 H ILE 68 H ILE 68 7.325 12.293 -4.259 517 HA ILE 68 HA ILE 68 7.305 11.084 -6.897 518 HB ILE 68 HB ILE 68 6.924 8.960 -5.678 519 HG12 ILE 68 2HG1 ILE 68 7.299 10.580 -3.150 520 HG13 ILE 68 1HG1 ILE 68 5.728 10.044 -3.738 521 HG21 ILE 68 1HG2 ILE 68 9.156 8.882 -4.603 522 HG22 ILE 68 2HG2 ILE 68 9.262 10.634 -4.798 523 HG23 ILE 68 3HG2 ILE 68 9.163 9.593 -6.218 524 HD11 ILE 68 3HD1 ILE 68 6.593 8.581 -1.998 525 HD12 ILE 68 1HD1 ILE 68 8.022 8.253 -2.980 526 HD13 ILE 68 2HD1 ILE 68 6.432 7.728 -3.533 527 H ARG 69 H ARG 69 5.488 9.128 -6.749 528 HA ARG 69 HA ARG 69 2.916 10.226 -6.016 529 HB2 ARG 69 2HB ARG 69 1.963 10.094 -8.272 530 HB3 ARG 69 1HB ARG 69 3.233 11.300 -8.159 531 HG2 ARG 69 2HG ARG 69 4.774 9.893 -9.304 532 HG3 ARG 69 1HG ARG 69 3.661 8.525 -9.231 533 HD2 ARG 69 2HD ARG 69 3.695 9.585 -11.448 534 HD3 ARG 69 1HD ARG 69 2.108 9.666 -10.690 535 HE ARG 69 HE ARG 69 2.738 12.020 -10.076 536 HH11 ARG 69 1HH1 ARG 69 4.109 10.411 -12.868 537 HH12 ARG 69 2HH1 ARG 69 4.409 11.880 -13.733 538 HH21 ARG 69 1HH2 ARG 69 3.133 13.967 -11.215 539 HH22 ARG 69 2HH2 ARG 69 3.850 13.909 -12.794 540 H GLU 70 H GLU 70 4.907 7.594 -6.450 541 HA GLU 70 HA GLU 70 2.863 5.919 -5.414 542 HB2 GLU 70 2HB GLU 70 2.974 4.185 -7.188 543 HB3 GLU 70 1HB GLU 70 2.216 5.689 -7.716 544 HG2 GLU 70 2HG GLU 70 4.262 6.337 -8.851 545 HG3 GLU 70 1HG GLU 70 5.071 4.881 -8.270 546 H VAL 71 H VAL 71 3.685 3.843 -4.703 547 HA VAL 71 HA VAL 71 6.612 3.602 -4.763 548 HB VAL 71 HB VAL 71 6.568 2.822 -2.382 549 HG11 VAL 71 1HG1 VAL 71 6.455 5.090 -1.408 550 HG12 VAL 71 2HG1 VAL 71 5.752 5.671 -2.917 551 HG13 VAL 71 3HG1 VAL 71 7.391 5.023 -2.901 552 HG21 VAL 71 3HG2 VAL 71 4.215 2.311 -2.152 553 HG22 VAL 71 1HG2 VAL 71 3.794 4.002 -2.424 554 HG23 VAL 71 2HG2 VAL 71 4.679 3.537 -0.970 555 H TYR 72 H TYR 72 7.404 1.468 -4.299 556 HA TYR 72 HA TYR 72 5.482 -0.617 -5.105 557 HB2 TYR 72 2HB TYR 72 8.495 -0.663 -5.418 558 HB3 TYR 72 1HB TYR 72 7.345 -1.810 -6.096 559 HD1 TYR 72 1HD TYR 72 5.885 -1.121 -7.983 560 HD2 TYR 72 2HD TYR 72 8.955 1.415 -6.490 561 HE1 TYR 72 1HE TYR 72 5.767 0.224 -10.038 562 HE2 TYR 72 2HE TYR 72 8.844 2.768 -8.538 563 HH TYR 72 HH TYR 72 8.134 2.505 -10.883 564 H LEU 73 H LEU 73 4.923 -1.921 -3.479 565 HA LEU 73 HA LEU 73 6.757 -2.070 -1.194 566 HB2 LEU 73 2HB LEU 73 3.826 -1.746 -1.399 567 HB3 LEU 73 1HB LEU 73 4.430 -2.707 -0.063 568 HG LEU 73 HG LEU 73 5.178 0.153 -0.670 569 HD11 LEU 73 1HD1 LEU 73 2.928 -0.067 0.233 570 HD12 LEU 73 2HD1 LEU 73 4.014 0.639 1.430 571 HD13 LEU 73 3HD1 LEU 73 3.541 -1.056 1.558 572 HD21 LEU 73 3HD2 LEU 73 7.096 -0.741 0.276 573 HD22 LEU 73 1HD2 LEU 73 6.192 -1.853 1.307 574 HD23 LEU 73 2HD2 LEU 73 6.223 -0.126 1.680 575 H LYS 74 H LYS 74 7.441 -3.880 -0.457 576 HA LYS 74 HA LYS 74 6.101 -6.402 -1.180 577 HB2 LYS 74 2HB LYS 74 8.415 -6.282 -1.999 578 HB3 LYS 74 1HB LYS 74 8.979 -5.857 -0.392 579 HG2 LYS 74 2HG LYS 74 9.345 -8.014 -0.033 580 HG3 LYS 74 1HG LYS 74 7.597 -8.255 -0.059 581 HD2 LYS 74 2HD LYS 74 9.407 -8.366 -2.469 582 HD3 LYS 74 1HD LYS 74 8.783 -9.768 -1.598 583 HE2 LYS 74 2HE LYS 74 6.490 -9.033 -2.119 584 HE3 LYS 74 1HE LYS 74 7.151 -7.682 -3.039 585 HZ1 LYS 74 3HZ LYS 74 7.582 -10.558 -3.658 586 HZ2 LYS 74 1HZ LYS 74 8.237 -9.257 -4.519 587 HZ3 LYS 74 2HZ LYS 74 6.565 -9.505 -4.498 588 HA PRO 75 HA PRO 75 5.011 -6.306 3.137 589 HB2 PRO 75 2HB PRO 75 4.008 -8.815 3.364 590 HB3 PRO 75 1HB PRO 75 3.129 -7.494 2.586 591 HG2 PRO 75 2HG PRO 75 4.738 -9.681 1.353 592 HG3 PRO 75 1HG PRO 75 3.164 -9.042 0.853 593 HD2 PRO 75 2HD PRO 75 5.466 -8.325 -0.374 594 HD3 PRO 75 1HD PRO 75 4.101 -7.213 -0.202 595 H ARG 76 H ARG 76 5.158 -8.251 4.972 596 HA ARG 76 HA ARG 76 8.020 -8.368 5.318 597 HB2 ARG 76 2HB ARG 76 5.801 -9.241 7.162 598 HB3 ARG 76 1HB ARG 76 7.505 -9.225 7.577 599 HG2 ARG 76 2HG ARG 76 6.822 -7.244 8.501 600 HG3 ARG 76 1HG ARG 76 7.361 -6.706 6.910 601 HD2 ARG 76 2HD ARG 76 5.355 -5.681 6.863 602 HD3 ARG 76 1HD ARG 76 4.778 -7.278 6.381 603 HE ARG 76 HE ARG 76 4.590 -6.104 9.071 604 HH11 ARG 76 1HH1 ARG 76 3.644 -8.610 6.783 605 HH12 ARG 76 2HH1 ARG 76 2.344 -9.185 7.783 606 HH21 ARG 76 1HH2 ARG 76 2.858 -6.861 10.341 607 HH22 ARG 76 2HH2 ARG 76 1.902 -8.204 9.781 608 H ALA 77 H ALA 77 5.343 -10.643 4.919 609 HA ALA 77 HA ALA 77 7.056 -12.934 5.158 610 HB1 ALA 77 1HB ALA 77 5.121 -14.229 4.432 611 HB2 ALA 77 2HB ALA 77 4.261 -12.739 4.040 612 HB3 ALA 77 3HB ALA 77 4.685 -13.097 5.713 613 H VAL 78 H VAL 78 8.666 -12.157 3.687 614 HA VAL 78 HA VAL 78 8.354 -11.890 0.920 615 HB VAL 78 HB VAL 78 10.751 -13.113 2.302 616 HG11 VAL 78 1HG1 VAL 78 10.527 -11.561 -0.276 617 HG12 VAL 78 2HG1 VAL 78 10.794 -13.297 -0.131 618 HG13 VAL 78 3HG1 VAL 78 12.021 -12.167 0.441 619 HG21 VAL 78 3HG2 VAL 78 10.163 -11.040 3.414 620 HG22 VAL 78 1HG2 VAL 78 10.085 -10.204 1.863 621 HG23 VAL 78 2HG2 VAL 78 11.627 -10.820 2.457 622 H LYS 79 H LYS 79 8.091 -14.647 2.920 623 HA LYS 79 HA LYS 79 8.694 -16.759 1.214 624 HB2 LYS 79 2HB LYS 79 8.179 -17.051 3.592 625 HB3 LYS 79 1HB LYS 79 6.513 -16.569 3.304 626 HG2 LYS 79 2HG LYS 79 6.243 -18.550 1.836 627 HG3 LYS 79 1HG LYS 79 7.876 -19.048 2.277 628 HD2 LYS 79 2HD LYS 79 7.241 -19.262 4.589 629 HD3 LYS 79 1HD LYS 79 5.644 -18.595 4.250 630 HE2 LYS 79 2HE LYS 79 5.499 -20.998 4.455 631 HE3 LYS 79 1HE LYS 79 5.171 -20.520 2.792 632 HZ1 LYS 79 3HZ LYS 79 7.363 -21.190 2.161 633 HZ2 LYS 79 1HZ LYS 79 6.630 -22.471 2.980 634 HZ3 LYS 79 2HZ LYS 79 7.790 -21.523 3.761 635 H ASN 80 H ASN 80 6.007 -14.544 1.155 636 HA ASN 80 HA ASN 80 4.168 -16.056 -0.354 637 HB2 ASN 80 2HB ASN 80 4.617 -13.073 -0.431 638 HB3 ASN 80 1HB ASN 80 3.201 -13.917 -1.045 639 HD21 ASN 80 1HD2 ASN 80 3.450 -11.847 0.954 640 HD22 ASN 80 2HD2 ASN 80 2.751 -12.477 2.386 641 H SER 81 H SER 81 7.039 -14.345 -1.130 642 HA SER 81 HA SER 81 8.336 -14.184 -2.948 643 HB2 SER 81 2HB SER 81 6.540 -16.278 -4.187 644 HB3 SER 81 1HB SER 81 8.176 -15.853 -4.699 645 HG SER 81 HG SER 81 7.466 -16.906 -2.153 646 H SER 82 H SER 82 5.198 -14.796 -4.562 647 HA SER 82 HA SER 82 5.844 -12.476 -6.225 648 HB2 SER 82 2HB SER 82 4.053 -14.834 -6.817 649 HB3 SER 82 1HB SER 82 4.424 -13.516 -7.930 650 HG SER 82 HG SER 82 6.741 -14.251 -7.263 651 H VAL 83 H VAL 83 4.308 -12.324 -3.589 652 HA VAL 83 HA VAL 83 1.961 -11.000 -4.756 653 HB VAL 83 HB VAL 83 1.760 -12.459 -2.634 654 HG11 VAL 83 1HG1 VAL 83 2.852 -9.957 -1.358 655 HG12 VAL 83 2HG1 VAL 83 3.687 -11.506 -1.446 656 HG13 VAL 83 3HG1 VAL 83 2.193 -11.362 -0.518 657 HG21 VAL 83 3HG2 VAL 83 -0.036 -11.052 -3.450 658 HG22 VAL 83 1HG2 VAL 83 0.676 -9.645 -2.662 659 HG23 VAL 83 2HG2 VAL 83 0.044 -10.972 -1.689 660 H GLN 84 H GLN 84 1.810 -8.804 -4.823 661 HA GLN 84 HA GLN 84 3.961 -7.260 -3.550 662 HB2 GLN 84 2HB GLN 84 2.988 -6.964 -6.389 663 HB3 GLN 84 1HB GLN 84 4.009 -5.792 -5.575 664 HG2 GLN 84 2HG GLN 84 5.744 -7.513 -5.320 665 HG3 GLN 84 1HG GLN 84 4.719 -8.648 -6.198 666 HE21 GLN 84 1HE2 GLN 84 6.212 -8.902 -7.851 667 HE22 GLN 84 2HE2 GLN 84 6.514 -7.666 -9.017 668 H PHE 85 H PHE 85 3.456 -5.020 -3.208 669 HA PHE 85 HA PHE 85 0.613 -4.360 -3.516 670 HB2 PHE 85 2HB PHE 85 2.416 -3.679 -1.186 671 HB3 PHE 85 1HB PHE 85 0.845 -2.931 -1.465 672 HD1 PHE 85 2HD PHE 85 -1.207 -4.226 -1.247 673 HD2 PHE 85 1HD PHE 85 2.593 -5.925 -0.375 674 HE1 PHE 85 2HE PHE 85 -2.314 -6.088 -0.081 675 HE2 PHE 85 1HE PHE 85 1.495 -7.793 0.792 676 HZ PHE 85 HZ PHE 85 -0.962 -7.878 0.940 677 H HIS 86 H HIS 86 0.304 -2.723 -4.784 678 HA HIS 86 HA HIS 86 2.588 -0.963 -5.389 679 HB2 HIS 86 2HB HIS 86 1.767 -2.429 -7.247 680 HB3 HIS 86 1HB HIS 86 0.201 -1.636 -7.135 681 HD1 HIS 86 1HD HIS 86 0.575 -0.978 -9.663 682 HD2 HIS 86 2HD HIS 86 3.231 0.760 -6.974 683 HE1 HIS 86 1HE HIS 86 1.666 0.909 -10.913 684 HE2 HIS 86 2HE HIS 86 3.208 2.008 -9.251 685 H VAL 87 H VAL 87 2.313 0.819 -4.167 686 HA VAL 87 HA VAL 87 -0.416 1.797 -3.744 687 HB VAL 87 HB VAL 87 2.157 2.560 -2.354 688 HG11 VAL 87 1HG1 VAL 87 -0.667 3.472 -1.827 689 HG12 VAL 87 2HG1 VAL 87 0.643 4.462 -2.465 690 HG13 VAL 87 3HG1 VAL 87 0.732 3.837 -0.819 691 HG21 VAL 87 3HG2 VAL 87 1.149 1.454 -0.410 692 HG22 VAL 87 1HG2 VAL 87 1.371 0.336 -1.756 693 HG23 VAL 87 2HG2 VAL 87 -0.231 0.984 -1.403 694 H ILE 88 H ILE 88 -1.116 3.224 -5.128 695 HA ILE 88 HA ILE 88 0.774 5.098 -6.362 696 HB ILE 88 HB ILE 88 -2.068 4.422 -7.143 697 HG12 ILE 88 2HG1 ILE 88 -0.733 3.727 -9.299 698 HG13 ILE 88 1HG1 ILE 88 0.623 3.603 -8.178 699 HG21 ILE 88 1HG2 ILE 88 -1.577 6.746 -7.620 700 HG22 ILE 88 2HG2 ILE 88 -1.692 5.812 -9.111 701 HG23 ILE 88 3HG2 ILE 88 -0.112 6.276 -8.482 702 HD11 ILE 88 3HD1 ILE 88 -0.646 1.991 -6.847 703 HD12 ILE 88 1HD1 ILE 88 -0.441 1.452 -8.513 704 HD13 ILE 88 2HD1 ILE 88 -1.988 2.115 -7.985 705 H PHE 89 H PHE 89 0.496 7.281 -6.172 706 HA PHE 89 HA PHE 89 -1.264 8.084 -3.979 707 HB2 PHE 89 2HB PHE 89 1.251 9.288 -5.107 708 HB3 PHE 89 1HB PHE 89 0.237 10.100 -3.925 709 HD1 PHE 89 1HD PHE 89 -0.382 8.707 -1.835 710 HD2 PHE 89 2HD PHE 89 2.949 7.920 -4.354 711 HE1 PHE 89 1HE PHE 89 0.672 7.418 -0.035 712 HE2 PHE 89 2HE PHE 89 4.009 6.631 -2.552 713 HZ PHE 89 HZ PHE 89 2.851 6.382 -0.404 714 H ASP 90 H ASP 90 -3.117 8.971 -4.621 715 HA ASP 90 HA ASP 90 -3.471 10.117 -7.227 716 HB2 ASP 90 2HB ASP 90 -5.326 10.257 -4.836 717 HB3 ASP 90 1HB ASP 90 -5.754 10.596 -6.508 718 H GLU 91 H GLU 91 -2.855 12.075 -7.770 719 HA GLU 91 HA GLU 91 -2.232 14.016 -5.691 720 HB2 GLU 91 2HB GLU 91 -1.630 14.026 -8.652 721 HB3 GLU 91 1HB GLU 91 -1.096 15.248 -7.507 722 HG2 GLU 91 2HG GLU 91 0.237 13.614 -6.329 723 HG3 GLU 91 1HG GLU 91 -0.351 12.337 -7.396 724 H GLU 92 H GLU 92 -3.656 15.497 -5.176 725 HA GLU 92 HA GLU 92 -5.707 16.221 -7.155 726 HB2 GLU 92 2HB GLU 92 -6.017 15.994 -4.157 727 HB3 GLU 92 1HB GLU 92 -7.286 16.418 -5.298 728 HG2 GLU 92 2HG GLU 92 -5.811 13.801 -5.363 729 HG3 GLU 92 1HG GLU 92 -7.306 14.045 -4.473 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 12.376 -12.454 -22.569 2 H2 GLY 1 2HT GLY 1 12.168 -12.202 -20.911 3 H3 GLY 1 3HT GLY 1 10.974 -11.705 -21.997 4 HA2 GLY 1 1HA GLY 1 11.771 -14.511 -21.506 5 HA3 GLY 1 2HA GLY 1 10.346 -13.738 -20.838 6 H SER 2 H SER 2 8.619 -14.509 -21.834 7 HA SER 2 HA SER 2 8.568 -14.441 -24.769 8 HB2 SER 2 2HB SER 2 8.885 -16.798 -23.862 9 HB3 SER 2 1HB SER 2 7.288 -16.647 -23.136 10 HG SER 2 HG SER 2 6.955 -17.591 -25.084 11 H ALA 3 H ALA 3 7.600 -12.874 -22.336 12 HA ALA 3 HA ALA 3 5.850 -11.588 -21.733 13 HB1 ALA 3 1HB ALA 3 4.580 -12.450 -24.327 14 HB2 ALA 3 2HB ALA 3 5.693 -11.095 -24.138 15 HB3 ALA 3 3HB ALA 3 4.121 -11.064 -23.338 16 H MET 4 H MET 4 3.227 -11.753 -21.676 17 HA MET 4 HA MET 4 1.431 -12.728 -20.713 18 HB2 MET 4 2HB MET 4 2.784 -15.247 -21.655 19 HB3 MET 4 1HB MET 4 1.286 -15.282 -20.739 20 HG2 MET 4 2HG MET 4 0.736 -15.468 -23.036 21 HG3 MET 4 1HG MET 4 0.253 -13.861 -22.502 22 HE1 MET 4 3HE MET 4 1.305 -13.332 -26.252 23 HE2 MET 4 1HE MET 4 0.012 -13.151 -25.066 24 HE3 MET 4 2HE MET 4 0.530 -14.761 -25.568 25 H GLY 5 H GLY 5 4.363 -12.652 -19.459 26 HA2 GLY 5 2HA GLY 5 4.872 -12.544 -17.179 27 HA3 GLY 5 1HA GLY 5 3.404 -13.445 -16.832 28 H HIS 6 H HIS 6 6.660 -13.609 -16.703 29 HA HIS 6 HA HIS 6 7.051 -16.342 -17.505 30 HB2 HIS 6 2HB HIS 6 8.876 -14.624 -17.503 31 HB3 HIS 6 1HB HIS 6 8.809 -14.613 -15.744 32 HD1 HIS 6 1HD HIS 6 11.159 -15.519 -15.382 33 HD2 HIS 6 2HD HIS 6 8.806 -17.975 -17.769 34 HE1 HIS 6 1HE HIS 6 12.459 -17.655 -15.646 35 HE2 HIS 6 2HE HIS 6 11.083 -19.066 -17.216 36 H MET 7 H MET 7 6.673 -14.602 -14.459 37 HA MET 7 HA MET 7 5.956 -17.149 -13.168 38 HB2 MET 7 2HB MET 7 7.418 -14.756 -12.139 39 HB3 MET 7 1HB MET 7 6.382 -15.633 -11.027 40 HG2 MET 7 2HG MET 7 8.602 -16.443 -10.781 41 HG3 MET 7 1HG MET 7 7.646 -17.698 -11.563 42 HE1 MET 7 3HE MET 7 9.857 -18.963 -12.240 43 HE2 MET 7 1HE MET 7 10.840 -17.712 -11.478 44 HE3 MET 7 2HE MET 7 11.187 -18.221 -13.129 45 HA PRO 8 HA PRO 8 1.923 -15.315 -12.774 46 HB2 PRO 8 2HB PRO 8 1.309 -17.132 -10.601 47 HB3 PRO 8 1HB PRO 8 0.704 -17.145 -12.257 48 HG2 PRO 8 2HG PRO 8 2.386 -19.042 -11.247 49 HG3 PRO 8 1HG PRO 8 2.295 -18.617 -12.964 50 HD2 PRO 8 2HD PRO 8 4.308 -17.803 -10.911 51 HD3 PRO 8 1HD PRO 8 4.538 -18.210 -12.625 52 H ALA 9 H ALA 9 3.180 -13.450 -11.800 53 HA ALA 9 HA ALA 9 3.059 -13.288 -8.902 54 HB1 ALA 9 1HB ALA 9 5.047 -12.454 -10.078 55 HB2 ALA 9 2HB ALA 9 4.244 -11.182 -9.156 56 HB3 ALA 9 3HB ALA 9 4.044 -11.262 -10.906 57 H VAL 10 H VAL 10 1.582 -12.223 -7.774 58 HA VAL 10 HA VAL 10 -0.554 -10.906 -9.284 59 HB VAL 10 HB VAL 10 -1.821 -11.079 -7.089 60 HG11 VAL 10 1HG1 VAL 10 -0.956 -13.633 -8.445 61 HG12 VAL 10 2HG1 VAL 10 -2.254 -12.563 -8.978 62 HG13 VAL 10 3HG1 VAL 10 -2.400 -13.435 -7.452 63 HG21 VAL 10 3HG2 VAL 10 -1.061 -12.710 -5.472 64 HG22 VAL 10 1HG2 VAL 10 0.140 -11.434 -5.662 65 HG23 VAL 10 2HG2 VAL 10 0.397 -13.004 -6.421 66 H ASP 11 H ASP 11 -1.104 -8.846 -8.959 67 HA ASP 11 HA ASP 11 0.574 -7.276 -7.118 68 HB2 ASP 11 2HB ASP 11 -0.708 -6.394 -9.720 69 HB3 ASP 11 1HB ASP 11 0.215 -5.357 -8.643 70 H VAL 12 H VAL 12 -0.428 -5.924 -5.697 71 HA VAL 12 HA VAL 12 -3.362 -5.769 -5.896 72 HB VAL 12 HB VAL 12 -2.115 -6.889 -3.820 73 HG11 VAL 12 1HG1 VAL 12 -0.793 -5.090 -3.086 74 HG12 VAL 12 2HG1 VAL 12 -2.111 -5.240 -1.930 75 HG13 VAL 12 3HG1 VAL 12 -2.147 -3.967 -3.152 76 HG21 VAL 12 3HG2 VAL 12 -4.514 -6.804 -4.112 77 HG22 VAL 12 1HG2 VAL 12 -4.539 -5.114 -3.604 78 HG23 VAL 12 2HG2 VAL 12 -4.087 -6.374 -2.457 79 H GLU 13 H GLU 13 -4.346 -3.762 -5.664 80 HA GLU 13 HA GLU 13 -2.500 -1.530 -6.080 81 HB2 GLU 13 2HB GLU 13 -4.495 -0.400 -7.107 82 HB3 GLU 13 1HB GLU 13 -3.933 -1.825 -7.971 83 HG2 GLU 13 2HG GLU 13 -5.738 -3.126 -7.224 84 HG3 GLU 13 1HG GLU 13 -6.174 -1.952 -5.984 85 H ILE 14 H ILE 14 -2.226 -0.258 -4.393 86 HA ILE 14 HA ILE 14 -4.550 0.226 -2.657 87 HB ILE 14 HB ILE 14 -1.626 0.549 -1.947 88 HG12 ILE 14 2HG1 ILE 14 -3.652 -1.580 -1.213 89 HG13 ILE 14 1HG1 ILE 14 -2.148 -1.805 -2.099 90 HG21 ILE 14 1HG2 ILE 14 -3.064 2.143 -0.801 91 HG22 ILE 14 2HG2 ILE 14 -2.447 0.935 0.327 92 HG23 ILE 14 3HG2 ILE 14 -4.108 0.829 -0.255 93 HD11 ILE 14 3HD1 ILE 14 -2.454 -1.100 0.811 94 HD12 ILE 14 1HD1 ILE 14 -0.911 -1.159 -0.049 95 HD13 ILE 14 2HD1 ILE 14 -1.879 -2.623 0.130 96 H HIS 15 H HIS 15 -5.376 2.233 -2.787 97 HA HIS 15 HA HIS 15 -3.688 4.273 -4.058 98 HB2 HIS 15 2HB HIS 15 -6.679 3.897 -4.120 99 HB3 HIS 15 1HB HIS 15 -5.888 5.374 -4.664 100 HD1 HIS 15 1HD HIS 15 -6.946 2.115 -5.821 101 HD2 HIS 15 2HD HIS 15 -4.014 4.858 -6.885 102 HE1 HIS 15 1HE HIS 15 -6.207 1.442 -8.121 103 HE2 HIS 15 2HE HIS 15 -4.573 3.225 -8.818 104 H PHE 16 H PHE 16 -2.876 5.603 -2.665 105 HA PHE 16 HA PHE 16 -4.541 6.497 -0.416 106 HB2 PHE 16 2HB PHE 16 -1.564 6.570 -0.844 107 HB3 PHE 16 1HB PHE 16 -2.359 7.403 0.479 108 HD1 PHE 16 1HD PHE 16 -4.414 5.216 1.056 109 HD2 PHE 16 2HD PHE 16 -0.214 5.124 0.407 110 HE1 PHE 16 1HE PHE 16 -4.247 3.197 2.446 111 HE2 PHE 16 2HE PHE 16 -0.038 3.099 1.788 112 HZ PHE 16 HZ PHE 16 -2.056 2.135 2.810 113 HA PRO 17 HA PRO 17 -5.045 10.236 -2.838 114 HB2 PRO 17 2HB PRO 17 -6.121 11.162 -0.253 115 HB3 PRO 17 1HB PRO 17 -6.867 11.194 -1.849 116 HG2 PRO 17 2HG PRO 17 -7.667 9.480 0.030 117 HG3 PRO 17 1HG PRO 17 -7.613 9.018 -1.682 118 HD2 PRO 17 2HD PRO 17 -5.737 8.325 0.530 119 HD3 PRO 17 1HD PRO 17 -6.292 7.335 -0.836 120 H LEU 18 H LEU 18 -3.471 11.612 -3.107 121 HA LEU 18 HA LEU 18 -1.154 11.512 -1.630 122 HB2 LEU 18 2HB LEU 18 -1.295 12.169 -3.967 123 HB3 LEU 18 1HB LEU 18 -2.098 13.657 -3.519 124 HG LEU 18 HG LEU 18 -0.101 14.511 -2.495 125 HD11 LEU 18 1HD1 LEU 18 1.989 13.247 -2.484 126 HD12 LEU 18 2HD1 LEU 18 1.147 11.842 -3.136 127 HD13 LEU 18 3HD1 LEU 18 0.750 12.440 -1.525 128 HD21 LEU 18 3HD2 LEU 18 0.585 13.219 -5.128 129 HD22 LEU 18 1HD2 LEU 18 1.346 14.646 -4.426 130 HD23 LEU 18 2HD2 LEU 18 -0.340 14.711 -4.940 131 H LYS 19 H LYS 19 -3.762 13.903 -1.367 132 HA LYS 19 HA LYS 19 -2.178 15.508 0.413 133 HB2 LYS 19 2HB LYS 19 -4.300 16.821 0.739 134 HB3 LYS 19 1HB LYS 19 -3.624 16.799 -0.879 135 HG2 LYS 19 2HG LYS 19 -5.306 15.171 -1.561 136 HG3 LYS 19 1HG LYS 19 -5.968 15.167 0.078 137 HD2 LYS 19 2HD LYS 19 -6.460 17.562 -0.116 138 HD3 LYS 19 1HD LYS 19 -5.791 17.566 -1.744 139 HE2 LYS 19 2HE LYS 19 -8.308 17.469 -1.541 140 HE3 LYS 19 1HE LYS 19 -7.537 16.294 -2.595 141 HZ1 LYS 19 3HZ LYS 19 -7.839 14.593 -1.022 142 HZ2 LYS 19 1HZ LYS 19 -9.318 15.418 -1.087 143 HZ3 LYS 19 2HZ LYS 19 -8.264 15.687 0.205 144 H ARG 20 H ARG 20 -4.500 12.933 0.866 145 HA ARG 20 HA ARG 20 -4.994 13.669 3.627 146 HB2 ARG 20 2HB ARG 20 -5.548 10.922 2.588 147 HB3 ARG 20 1HB ARG 20 -6.450 11.867 3.759 148 HG2 ARG 20 2HG ARG 20 -6.368 12.487 0.834 149 HG3 ARG 20 1HG ARG 20 -7.580 11.459 1.594 150 HD2 ARG 20 2HD ARG 20 -7.064 14.382 2.113 151 HD3 ARG 20 1HD ARG 20 -8.447 13.662 1.284 152 HE ARG 20 HE ARG 20 -8.955 12.583 3.495 153 HH11 ARG 20 1HH1 ARG 20 -7.218 15.628 3.296 154 HH12 ARG 20 2HH1 ARG 20 -7.817 16.213 4.810 155 HH21 ARG 20 1HH2 ARG 20 -9.752 13.376 5.482 156 HH22 ARG 20 2HH2 ARG 20 -9.250 14.935 6.051 157 H ILE 21 H ILE 21 -3.007 11.368 1.850 158 HA ILE 21 HA ILE 21 -2.257 9.816 4.113 159 HB ILE 21 HB ILE 21 -2.189 8.928 1.827 160 HG12 ILE 21 2HG1 ILE 21 -0.022 7.755 1.994 161 HG13 ILE 21 1HG1 ILE 21 0.510 8.924 3.199 162 HG21 ILE 21 1HG2 ILE 21 -1.422 10.832 0.591 163 HG22 ILE 21 2HG2 ILE 21 -0.270 9.518 0.356 164 HG23 ILE 21 3HG2 ILE 21 0.110 10.836 1.461 165 HD11 ILE 21 3HD1 ILE 21 -0.193 6.830 4.216 166 HD12 ILE 21 1HD1 ILE 21 -1.793 7.011 3.498 167 HD13 ILE 21 2HD1 ILE 21 -1.237 8.160 4.713 168 H ALA 22 H ALA 22 -1.014 12.721 2.651 169 HA ALA 22 HA ALA 22 1.543 12.641 3.929 170 HB1 ALA 22 1HB ALA 22 1.170 13.902 1.862 171 HB2 ALA 22 2HB ALA 22 1.782 14.938 3.152 172 HB3 ALA 22 3HB ALA 22 0.072 14.982 2.720 173 H ALA 23 H ALA 23 -1.614 13.510 4.890 174 HA ALA 23 HA ALA 23 -0.763 15.331 6.988 175 HB1 ALA 23 1HB ALA 23 -3.511 14.305 6.282 176 HB2 ALA 23 2HB ALA 23 -2.801 15.819 5.721 177 HB3 ALA 23 3HB ALA 23 -3.150 15.591 7.436 178 H GLU 24 H GLU 24 -2.152 14.872 9.137 179 HA GLU 24 HA GLU 24 -1.492 12.114 9.911 180 HB2 GLU 24 2HB GLU 24 -0.033 13.900 10.911 181 HB3 GLU 24 1HB GLU 24 -1.458 14.520 11.736 182 HG2 GLU 24 2HG GLU 24 -1.667 12.577 13.049 183 HG3 GLU 24 1HG GLU 24 -0.525 11.685 12.046 184 H GLY 25 H GLY 25 -3.974 13.636 8.958 185 HA2 GLY 25 2HA GLY 25 -5.763 12.467 10.997 186 HA3 GLY 25 1HA GLY 25 -6.234 13.759 9.891 187 H TYR 26 H TYR 26 -4.222 11.152 8.917 188 HA TYR 26 HA TYR 26 -5.820 10.685 6.624 189 HB2 TYR 26 2HB TYR 26 -4.085 9.016 6.056 190 HB3 TYR 26 1HB TYR 26 -3.397 10.567 6.518 191 HD1 TYR 26 2HD TYR 26 -2.288 10.850 8.691 192 HD2 TYR 26 1HD TYR 26 -3.659 7.035 7.415 193 HE1 TYR 26 2HE TYR 26 -0.911 9.785 10.424 194 HE2 TYR 26 1HE TYR 26 -2.288 5.958 9.147 195 HH TYR 26 HH TYR 26 -0.837 7.708 11.691 196 H ALA 27 H ALA 27 -5.339 8.975 9.667 197 HA ALA 27 HA ALA 27 -6.679 6.587 8.814 198 HB1 ALA 27 1HB ALA 27 -6.520 5.896 11.143 199 HB2 ALA 27 2HB ALA 27 -6.031 7.524 11.609 200 HB3 ALA 27 3HB ALA 27 -4.980 6.546 10.584 201 H GLU 28 H GLU 28 -7.636 9.646 9.945 202 HA GLU 28 HA GLU 28 -10.315 8.765 10.676 203 HB2 GLU 28 2HB GLU 28 -8.986 11.478 10.654 204 HB3 GLU 28 1HB GLU 28 -10.694 11.258 10.993 205 HG2 GLU 28 2HG GLU 28 -9.557 11.471 13.065 206 HG3 GLU 28 1HG GLU 28 -10.062 9.792 12.900 207 H ASP 29 H ASP 29 -8.669 9.279 7.912 208 HA ASP 29 HA ASP 29 -10.782 10.657 6.467 209 HB2 ASP 29 2HB ASP 29 -8.559 11.326 5.867 210 HB3 ASP 29 1HB ASP 29 -8.067 9.653 5.612 211 H GLU 30 H GLU 30 -12.395 9.617 5.627 212 HA GLU 30 HA GLU 30 -12.764 6.868 5.810 213 HB2 GLU 30 2HB GLU 30 -14.587 8.517 5.702 214 HB3 GLU 30 1HB GLU 30 -14.181 8.852 4.026 215 HG2 GLU 30 2HG GLU 30 -14.702 6.497 3.477 216 HG3 GLU 30 1HG GLU 30 -15.225 6.263 5.145 217 H LEU 31 H LEU 31 -11.293 8.767 3.296 218 HA LEU 31 HA LEU 31 -11.796 6.957 1.180 219 HB2 LEU 31 2HB LEU 31 -11.344 9.438 1.019 220 HB3 LEU 31 1HB LEU 31 -9.672 9.090 1.399 221 HG LEU 31 HG LEU 31 -9.309 8.031 -0.676 222 HD11 LEU 31 1HD1 LEU 31 -11.158 7.624 -2.274 223 HD12 LEU 31 2HD1 LEU 31 -12.297 8.063 -1.000 224 HD13 LEU 31 3HD1 LEU 31 -11.264 6.644 -0.813 225 HD21 LEU 31 3HD2 LEU 31 -9.962 9.722 -2.289 226 HD22 LEU 31 1HD2 LEU 31 -9.462 10.478 -0.778 227 HD23 LEU 31 2HD2 LEU 31 -11.176 10.344 -1.171 228 H LEU 32 H LEU 32 -9.086 7.638 3.376 229 HA LEU 32 HA LEU 32 -7.292 5.762 2.291 230 HB2 LEU 32 2HB LEU 32 -7.121 7.696 4.145 231 HB3 LEU 32 1HB LEU 32 -7.292 6.310 5.208 232 HG LEU 32 HG LEU 32 -5.398 5.329 3.701 233 HD11 LEU 32 1HD1 LEU 32 -3.814 7.050 2.981 234 HD12 LEU 32 2HD1 LEU 32 -4.984 8.297 3.416 235 HD13 LEU 32 3HD1 LEU 32 -5.347 7.159 2.119 236 HD21 LEU 32 3HD2 LEU 32 -5.169 5.609 6.061 237 HD22 LEU 32 1HD2 LEU 32 -5.010 7.354 5.884 238 HD23 LEU 32 2HD2 LEU 32 -3.739 6.290 5.286 239 H LEU 33 H LEU 33 -9.769 5.642 4.755 240 HA LEU 33 HA LEU 33 -9.318 3.027 5.689 241 HB2 LEU 33 2HB LEU 33 -11.181 5.136 6.103 242 HB3 LEU 33 1HB LEU 33 -12.055 3.634 5.886 243 HG LEU 33 HG LEU 33 -11.589 4.111 8.251 244 HD11 LEU 33 1HD1 LEU 33 -11.821 1.800 7.550 245 HD12 LEU 33 2HD1 LEU 33 -10.625 1.940 8.840 246 HD13 LEU 33 3HD1 LEU 33 -10.100 1.729 7.170 247 HD21 LEU 33 3HD2 LEU 33 -9.295 3.984 9.093 248 HD22 LEU 33 1HD2 LEU 33 -9.506 5.338 7.984 249 HD23 LEU 33 2HD2 LEU 33 -8.697 3.869 7.440 250 H ASN 34 H ASN 34 -11.427 4.307 3.151 251 HA ASN 34 HA ASN 34 -12.775 1.923 2.557 252 HB2 ASN 34 2HB ASN 34 -12.111 4.304 0.817 253 HB3 ASN 34 1HB ASN 34 -13.107 2.963 0.263 254 HD21 ASN 34 1HD2 ASN 34 -13.744 5.799 0.645 255 HD22 ASN 34 2HD2 ASN 34 -15.087 5.844 1.727 256 H GLN 35 H GLN 35 -9.800 3.281 1.161 257 HA GLN 35 HA GLN 35 -9.476 1.206 -0.751 258 HB2 GLN 35 2HB GLN 35 -7.625 3.275 0.373 259 HB3 GLN 35 1HB GLN 35 -6.983 1.984 -0.629 260 HG2 GLN 35 2HG GLN 35 -7.327 3.767 -2.090 261 HG3 GLN 35 1HG GLN 35 -8.693 2.695 -2.368 262 HE21 GLN 35 1HE2 GLN 35 -7.669 5.721 -0.933 263 HE22 GLN 35 2HE2 GLN 35 -9.246 6.407 -0.860 264 H MET 36 H MET 36 -8.110 1.683 2.490 265 HA MET 36 HA MET 36 -6.903 -0.976 2.314 266 HB2 MET 36 2HB MET 36 -6.459 1.327 4.189 267 HB3 MET 36 1HB MET 36 -5.870 -0.290 4.557 268 HG2 MET 36 2HG MET 36 -5.161 1.394 2.173 269 HG3 MET 36 1HG MET 36 -4.110 0.966 3.522 270 HE1 MET 36 3HE MET 36 -2.961 -1.491 3.781 271 HE2 MET 36 1HE MET 36 -3.636 -2.888 2.949 272 HE3 MET 36 2HE MET 36 -4.629 -1.976 4.087 273 H GLY 37 H GLY 37 -9.829 -0.099 2.870 274 HA2 GLY 37 2HA GLY 37 -10.218 -2.095 4.992 275 HA3 GLY 37 1HA GLY 37 -11.475 -1.080 4.282 276 H LYS 38 H LYS 38 -10.745 -1.447 1.589 277 HA LYS 38 HA LYS 38 -11.859 -3.960 0.890 278 HB2 LYS 38 2HB LYS 38 -10.125 -2.146 -0.787 279 HB3 LYS 38 1HB LYS 38 -11.223 -3.384 -1.389 280 HG2 LYS 38 2HG LYS 38 -12.006 -0.862 0.058 281 HG3 LYS 38 1HG LYS 38 -12.166 -1.167 -1.671 282 HD2 LYS 38 2HD LYS 38 -13.796 -2.874 -1.288 283 HD3 LYS 38 1HD LYS 38 -13.521 -2.817 0.455 284 HE2 LYS 38 2HE LYS 38 -15.573 -1.640 -0.175 285 HE3 LYS 38 1HE LYS 38 -14.390 -0.551 0.543 286 HZ1 LYS 38 3HZ LYS 38 -13.791 0.206 -1.662 287 HZ2 LYS 38 1HZ LYS 38 -15.446 0.417 -1.401 288 HZ3 LYS 38 2HZ LYS 38 -14.900 -0.859 -2.366 289 H VAL 39 H VAL 39 -8.615 -2.726 0.142 290 HA VAL 39 HA VAL 39 -7.475 -5.366 -0.001 291 HB VAL 39 HB VAL 39 -6.194 -2.625 -0.020 292 HG11 VAL 39 1HG1 VAL 39 -4.955 -5.303 -0.636 293 HG12 VAL 39 2HG1 VAL 39 -4.571 -4.254 0.731 294 HG13 VAL 39 3HG1 VAL 39 -4.193 -3.736 -0.911 295 HG21 VAL 39 3HG2 VAL 39 -6.746 -4.531 -2.285 296 HG22 VAL 39 1HG2 VAL 39 -5.987 -2.944 -2.416 297 HG23 VAL 39 2HG2 VAL 39 -7.674 -3.078 -1.920 298 H ASN 40 H ASN 40 -8.116 -6.046 2.128 299 HA ASN 40 HA ASN 40 -6.241 -5.596 4.204 300 HB2 ASN 40 2HB ASN 40 -7.459 -3.432 4.161 301 HB3 ASN 40 1HB ASN 40 -8.940 -4.302 4.558 302 HD21 ASN 40 1HD2 ASN 40 -5.731 -3.549 5.672 303 HD22 ASN 40 2HD2 ASN 40 -6.065 -3.717 7.358 304 H ASP 41 H ASP 41 -9.571 -6.408 3.391 305 HA ASP 41 HA ASP 41 -9.922 -8.139 5.624 306 HB2 ASP 41 2HB ASP 41 -11.836 -7.144 4.433 307 HB3 ASP 41 1HB ASP 41 -11.427 -8.070 2.992 308 H THR 42 H THR 42 -8.994 -8.621 2.248 309 HA THR 42 HA THR 42 -7.721 -11.130 3.031 310 HB THR 42 HB THR 42 -8.494 -12.049 0.727 311 HG1 THR 42 1HG THR 42 -10.806 -10.519 1.185 312 HG21 THR 42 3HG2 THR 42 -10.503 -13.026 1.745 313 HG22 THR 42 1HG2 THR 42 -10.434 -11.826 3.034 314 HG23 THR 42 2HG2 THR 42 -9.149 -13.022 2.873 315 HA PRO 43 HA PRO 43 -5.134 -8.552 0.170 316 HB2 PRO 43 2HB PRO 43 -3.305 -7.601 1.855 317 HB3 PRO 43 1HB PRO 43 -4.917 -6.884 1.775 318 HG2 PRO 43 2HG PRO 43 -3.750 -8.716 3.810 319 HG3 PRO 43 1HG PRO 43 -4.901 -7.386 4.021 320 HD2 PRO 43 2HD PRO 43 -5.517 -10.134 3.849 321 HD3 PRO 43 1HD PRO 43 -6.669 -8.789 3.767 322 H GLU 44 H GLU 44 -5.052 -11.429 1.088 323 HA GLU 44 HA GLU 44 -3.790 -13.244 0.602 324 HB2 GLU 44 2HB GLU 44 -2.959 -11.943 -1.338 325 HB3 GLU 44 1HB GLU 44 -1.669 -11.306 -0.331 326 HG2 GLU 44 2HG GLU 44 -0.781 -13.069 -1.661 327 HG3 GLU 44 1HG GLU 44 -0.867 -13.633 0.007 328 H GLU 45 H GLU 45 -1.849 -10.656 2.037 329 HA GLU 45 HA GLU 45 -0.125 -12.478 3.411 330 HB2 GLU 45 2HB GLU 45 0.026 -9.851 2.657 331 HB3 GLU 45 1HB GLU 45 -0.222 -9.720 4.390 332 HG2 GLU 45 2HG GLU 45 1.915 -11.418 3.148 333 HG3 GLU 45 1HG GLU 45 2.148 -9.744 3.632 334 H GLU 46 H GLU 46 -1.813 -9.818 5.022 335 HA GLU 46 HA GLU 46 -2.913 -11.740 6.947 336 HB2 GLU 46 2HB GLU 46 -1.517 -9.147 7.632 337 HB3 GLU 46 1HB GLU 46 -2.382 -10.155 8.779 338 HG2 GLU 46 2HG GLU 46 -0.800 -11.967 8.389 339 HG3 GLU 46 1HG GLU 46 0.054 -10.968 7.213 340 H GLY 47 H GLY 47 -2.983 -8.227 7.116 341 HA2 GLY 47 2HA GLY 47 -5.268 -7.568 5.814 342 HA3 GLY 47 1HA GLY 47 -5.848 -8.292 7.298 343 H MET 48 H MET 48 -5.853 -7.130 9.128 344 HA MET 48 HA MET 48 -5.802 -4.382 8.987 345 HB2 MET 48 2HB MET 48 -7.077 -5.600 10.648 346 HB3 MET 48 1HB MET 48 -5.589 -6.132 11.422 347 HG2 MET 48 2HG MET 48 -6.627 -4.293 12.621 348 HG3 MET 48 1HG MET 48 -5.025 -3.876 12.015 349 HE1 MET 48 3HE MET 48 -4.857 -1.536 11.775 350 HE2 MET 48 1HE MET 48 -6.237 -1.459 12.868 351 HE3 MET 48 2HE MET 48 -6.187 -0.424 11.438 352 HA PRO 49 HA PRO 49 -1.329 -4.491 11.033 353 HB2 PRO 49 2HB PRO 49 -0.394 -7.010 9.761 354 HB3 PRO 49 1HB PRO 49 -0.040 -6.363 11.368 355 HG2 PRO 49 2HG PRO 49 -1.700 -8.409 11.100 356 HG3 PRO 49 1HG PRO 49 -2.052 -7.111 12.254 357 HD2 PRO 49 2HD PRO 49 -3.199 -7.581 9.530 358 HD3 PRO 49 1HD PRO 49 -4.020 -7.127 11.030 359 H LEU 50 H LEU 50 -2.086 -5.981 7.943 360 HA LEU 50 HA LEU 50 0.017 -5.015 6.385 361 HB2 LEU 50 2HB LEU 50 -2.822 -5.715 5.779 362 HB3 LEU 50 1HB LEU 50 -1.785 -5.055 4.537 363 HG LEU 50 HG LEU 50 -2.072 -7.744 5.318 364 HD11 LEU 50 1HD1 LEU 50 -1.768 -6.792 3.085 365 HD12 LEU 50 2HD1 LEU 50 -0.599 -8.074 3.418 366 HD13 LEU 50 3HD1 LEU 50 -0.101 -6.383 3.496 367 HD21 LEU 50 3HD2 LEU 50 0.178 -8.434 5.834 368 HD22 LEU 50 1HD2 LEU 50 -0.343 -7.272 7.051 369 HD23 LEU 50 2HD2 LEU 50 0.753 -6.770 5.764 370 H ARG 51 H ARG 51 -3.115 -3.635 7.134 371 HA ARG 51 HA ARG 51 -2.818 -1.283 5.631 372 HB2 ARG 51 2HB ARG 51 -4.974 -1.724 6.190 373 HB3 ARG 51 1HB ARG 51 -4.581 -2.233 7.821 374 HG2 ARG 51 2HG ARG 51 -4.296 0.096 8.478 375 HG3 ARG 51 1HG ARG 51 -4.660 0.605 6.825 376 HD2 ARG 51 2HD ARG 51 -6.878 -0.121 6.962 377 HD3 ARG 51 1HD ARG 51 -6.553 -1.126 8.372 378 HE ARG 51 HE ARG 51 -6.171 1.704 8.804 379 HH11 ARG 51 1HH1 ARG 51 -8.427 -0.965 8.853 380 HH12 ARG 51 2HH1 ARG 51 -9.474 -0.233 10.024 381 HH21 ARG 51 1HH2 ARG 51 -7.545 2.675 10.351 382 HH22 ARG 51 2HH2 ARG 51 -8.965 1.835 10.888 383 H ALA 52 H ALA 52 -2.203 -1.923 9.072 384 HA ALA 52 HA ALA 52 -1.373 0.653 9.742 385 HB1 ALA 52 1HB ALA 52 -1.883 -1.099 11.387 386 HB2 ALA 52 2HB ALA 52 -0.310 -0.357 11.680 387 HB3 ALA 52 3HB ALA 52 -0.408 -1.948 10.927 388 H TRP 53 H TRP 53 0.570 -2.126 8.569 389 HA TRP 53 HA TRP 53 3.002 -0.650 8.827 390 HB2 TRP 53 2HB TRP 53 4.130 -2.572 8.284 391 HB3 TRP 53 1HB TRP 53 2.609 -3.254 8.813 392 HD1 TRP 53 HD TRP 53 1.513 -4.928 7.292 393 HE1 TRP 53 1HE TRP 53 1.864 -5.735 4.866 394 HE3 TRP 53 3HE TRP 53 5.035 -1.541 5.802 395 HZ2 TRP 53 2HZ TRP 53 3.423 -5.034 2.639 396 HZ3 TRP 53 3HZ TRP 53 5.919 -1.692 3.515 397 HH2 TRP 53 HH TRP 53 5.129 -3.408 1.969 398 H VAL 54 H VAL 54 0.876 -1.432 6.113 399 HA VAL 54 HA VAL 54 2.676 -0.417 4.167 400 HB VAL 54 HB VAL 54 0.634 -2.071 3.961 401 HG11 VAL 54 1HG1 VAL 54 -1.260 -1.028 2.788 402 HG12 VAL 54 2HG1 VAL 54 -0.589 0.560 3.161 403 HG13 VAL 54 3HG1 VAL 54 -1.118 -0.501 4.465 404 HG21 VAL 54 3HG2 VAL 54 1.507 -0.183 1.777 405 HG22 VAL 54 1HG2 VAL 54 0.689 -1.725 1.529 406 HG23 VAL 54 2HG2 VAL 54 2.299 -1.689 2.246 407 H ILE 55 H ILE 55 -0.179 0.961 5.795 408 HA ILE 55 HA ILE 55 -0.142 3.415 4.417 409 HB ILE 55 HB ILE 55 -1.147 2.740 7.179 410 HG12 ILE 55 2HG1 ILE 55 -2.579 3.197 4.559 411 HG13 ILE 55 1HG1 ILE 55 -2.294 1.632 5.319 412 HG21 ILE 55 1HG2 ILE 55 -0.624 5.111 7.098 413 HG22 ILE 55 2HG2 ILE 55 -2.366 4.846 7.140 414 HG23 ILE 55 3HG2 ILE 55 -1.578 5.284 5.621 415 HD11 ILE 55 3HD1 ILE 55 -3.975 3.868 6.426 416 HD12 ILE 55 1HD1 ILE 55 -3.677 2.319 7.215 417 HD13 ILE 55 2HD1 ILE 55 -4.565 2.377 5.689 418 H LYS 56 H LYS 56 1.434 2.423 7.468 419 HA LYS 56 HA LYS 56 2.514 4.973 8.011 420 HB2 LYS 56 2HB LYS 56 2.329 3.177 9.707 421 HB3 LYS 56 1HB LYS 56 3.617 2.301 8.886 422 HG2 LYS 56 2HG LYS 56 5.161 4.128 9.323 423 HG3 LYS 56 1HG LYS 56 3.875 5.040 10.111 424 HD2 LYS 56 2HD LYS 56 3.664 3.220 11.775 425 HD3 LYS 56 1HD LYS 56 5.034 2.409 11.015 426 HE2 LYS 56 2HE LYS 56 5.765 3.657 12.965 427 HE3 LYS 56 1HE LYS 56 6.443 4.356 11.496 428 HZ1 LYS 56 3HZ LYS 56 4.041 5.386 12.904 429 HZ2 LYS 56 1HZ LYS 56 4.801 6.094 11.572 430 HZ3 LYS 56 2HZ LYS 56 5.596 6.030 13.062 431 H CYS 57 H CYS 57 3.943 2.130 6.400 432 HA CYS 57 HA CYS 57 6.482 3.263 5.997 433 HB2 CYS 57 2HB CYS 57 5.034 1.141 4.410 434 HB3 CYS 57 1HB CYS 57 6.734 1.549 4.197 435 HG CYS 57 HG CYS 57 5.240 0.010 6.839 436 H ALA 58 H ALA 58 3.602 3.257 3.921 437 HA ALA 58 HA ALA 58 4.773 4.663 1.767 438 HB1 ALA 58 1HB ALA 58 2.493 5.083 1.033 439 HB2 ALA 58 2HB ALA 58 1.879 4.601 2.612 440 HB3 ALA 58 3HB ALA 58 2.669 3.415 1.574 441 H HIS 59 H HIS 59 3.086 5.696 4.673 442 HA HIS 59 HA HIS 59 2.908 8.444 4.131 443 HB2 HIS 59 2HB HIS 59 1.801 7.117 6.011 444 HB3 HIS 59 1HB HIS 59 3.338 7.204 6.859 445 HD1 HIS 59 1HD HIS 59 1.403 8.388 8.525 446 HD2 HIS 59 2HD HIS 59 2.908 10.570 5.328 447 HE1 HIS 59 1HE HIS 59 0.851 10.787 9.027 448 HE2 HIS 59 2HE HIS 59 1.847 12.099 7.128 449 H GLU 60 H GLU 60 5.366 6.606 5.927 450 HA GLU 60 HA GLU 60 7.110 8.739 6.454 451 HB2 GLU 60 2HB GLU 60 7.736 5.805 6.084 452 HB3 GLU 60 1HB GLU 60 8.827 6.985 6.792 453 HG2 GLU 60 2HG GLU 60 6.140 6.211 7.901 454 HG3 GLU 60 1HG GLU 60 7.697 5.615 8.475 455 H ALA 61 H ALA 61 6.978 6.446 3.759 456 HA ALA 61 HA ALA 61 9.343 7.259 2.479 457 HB1 ALA 61 1HB ALA 61 8.482 6.106 0.515 458 HB2 ALA 61 2HB ALA 61 6.867 6.067 1.225 459 HB3 ALA 61 3HB ALA 61 8.179 5.155 1.970 460 H LEU 62 H LEU 62 5.993 8.338 2.111 461 HA LEU 62 HA LEU 62 6.525 9.991 -0.136 462 HB2 LEU 62 2HB LEU 62 4.319 9.106 0.263 463 HB3 LEU 62 1HB LEU 62 4.214 9.969 1.781 464 HG LEU 62 HG LEU 62 4.678 12.016 0.051 465 HD11 LEU 62 1HD1 LEU 62 2.883 10.078 -1.387 466 HD12 LEU 62 2HD1 LEU 62 4.538 10.476 -1.862 467 HD13 LEU 62 3HD1 LEU 62 3.289 11.720 -1.886 468 HD21 LEU 62 3HD2 LEU 62 2.012 10.858 0.830 469 HD22 LEU 62 1HD2 LEU 62 2.300 12.504 0.268 470 HD23 LEU 62 2HD2 LEU 62 2.991 11.961 1.798 471 H GLU 63 H GLU 63 6.137 10.713 3.345 472 HA GLU 63 HA GLU 63 6.258 13.521 2.993 473 HB2 GLU 63 2HB GLU 63 6.901 11.832 5.416 474 HB3 GLU 63 1HB GLU 63 6.846 13.589 5.431 475 HG2 GLU 63 2HG GLU 63 4.459 13.425 4.662 476 HG3 GLU 63 1HG GLU 63 4.576 11.686 4.934 477 H LYS 64 H LYS 64 8.735 11.102 3.035 478 HA LYS 64 HA LYS 64 10.804 13.135 3.497 479 HB2 LYS 64 2HB LYS 64 10.957 10.121 3.366 480 HB3 LYS 64 1HB LYS 64 12.345 11.176 3.604 481 HG2 LYS 64 2HG LYS 64 11.408 11.987 5.687 482 HG3 LYS 64 1HG LYS 64 9.965 11.004 5.441 483 HD2 LYS 64 2HD LYS 64 11.474 9.929 7.011 484 HD3 LYS 64 1HD LYS 64 11.342 8.978 5.531 485 HE2 LYS 64 2HE LYS 64 13.459 9.892 4.744 486 HE3 LYS 64 1HE LYS 64 13.582 10.882 6.198 487 HZ1 LYS 64 3HZ LYS 64 14.920 8.917 6.433 488 HZ2 LYS 64 1HZ LYS 64 13.600 7.920 6.084 489 HZ3 LYS 64 2HZ LYS 64 13.620 8.827 7.507 490 H ASN 65 H ASN 65 9.067 11.884 1.077 491 HA ASN 65 HA ASN 65 10.997 12.686 -0.951 492 HB2 ASN 65 2HB ASN 65 11.307 10.249 -0.622 493 HB3 ASN 65 1HB ASN 65 9.595 10.000 -0.922 494 HD21 ASN 65 1HD2 ASN 65 9.629 8.837 -2.660 495 HD22 ASN 65 2HD2 ASN 65 10.352 9.288 -4.173 496 HA PRO 66 HA PRO 66 6.366 13.513 -1.285 497 HB2 PRO 66 2HB PRO 66 6.168 16.084 -0.624 498 HB3 PRO 66 1HB PRO 66 6.429 14.854 0.610 499 HG2 PRO 66 2HG PRO 66 8.411 16.710 -0.649 500 HG3 PRO 66 1HG PRO 66 8.227 16.256 1.055 501 HD2 PRO 66 2HD PRO 66 10.054 15.125 -0.682 502 HD3 PRO 66 1HD PRO 66 9.456 14.349 0.795 503 H LYS 67 H LYS 67 8.048 13.306 -3.436 504 HA LYS 67 HA LYS 67 7.067 15.468 -5.186 505 HB2 LYS 67 2HB LYS 67 9.682 13.959 -5.439 506 HB3 LYS 67 1HB LYS 67 9.058 15.089 -6.627 507 HG2 LYS 67 2HG LYS 67 10.621 16.345 -5.487 508 HG3 LYS 67 1HG LYS 67 9.115 16.798 -4.694 509 HD2 LYS 67 2HD LYS 67 9.578 15.352 -2.841 510 HD3 LYS 67 1HD LYS 67 10.974 14.660 -3.668 511 HE2 LYS 67 2HE LYS 67 11.645 16.281 -1.962 512 HE3 LYS 67 1HE LYS 67 12.115 16.801 -3.577 513 HZ1 LYS 67 3HZ LYS 67 11.180 18.602 -2.235 514 HZ2 LYS 67 1HZ LYS 67 9.713 17.764 -2.124 515 HZ3 LYS 67 2HZ LYS 67 10.262 18.308 -3.624 516 H ILE 68 H ILE 68 6.990 12.235 -4.389 517 HA ILE 68 HA ILE 68 6.820 11.278 -7.126 518 HB ILE 68 HB ILE 68 6.697 9.005 -6.079 519 HG12 ILE 68 2HG1 ILE 68 7.751 9.000 -3.713 520 HG13 ILE 68 1HG1 ILE 68 7.111 10.629 -3.564 521 HG21 ILE 68 1HG2 ILE 68 9.101 10.715 -5.506 522 HG22 ILE 68 2HG2 ILE 68 8.711 9.933 -7.037 523 HG23 ILE 68 3HG2 ILE 68 9.088 8.957 -5.620 524 HD11 ILE 68 3HD1 ILE 68 4.868 9.777 -3.911 525 HD12 ILE 68 1HD1 ILE 68 5.662 8.986 -2.547 526 HD13 ILE 68 2HD1 ILE 68 5.512 8.143 -4.089 527 H ARG 69 H ARG 69 5.218 9.098 -6.872 528 HA ARG 69 HA ARG 69 2.552 10.215 -6.408 529 HB2 ARG 69 2HB ARG 69 3.507 9.289 -9.130 530 HB3 ARG 69 1HB ARG 69 1.859 9.755 -8.732 531 HG2 ARG 69 2HG ARG 69 2.493 12.023 -8.399 532 HG3 ARG 69 1HG ARG 69 4.208 11.617 -8.484 533 HD2 ARG 69 2HD ARG 69 3.540 12.614 -10.565 534 HD3 ARG 69 1HD ARG 69 3.876 10.906 -10.831 535 HE ARG 69 HE ARG 69 1.123 11.924 -10.494 536 HH11 ARG 69 1HH1 ARG 69 3.523 10.118 -12.313 537 HH12 ARG 69 2HH1 ARG 69 2.369 9.480 -13.438 538 HH21 ARG 69 1HH2 ARG 69 -0.385 11.088 -11.986 539 HH22 ARG 69 2HH2 ARG 69 0.150 10.035 -13.258 540 H GLU 70 H GLU 70 4.686 7.592 -6.638 541 HA GLU 70 HA GLU 70 2.781 5.831 -5.479 542 HB2 GLU 70 2HB GLU 70 1.966 5.335 -7.571 543 HB3 GLU 70 1HB GLU 70 3.515 5.603 -8.364 544 HG2 GLU 70 2HG GLU 70 4.299 3.490 -7.178 545 HG3 GLU 70 1HG GLU 70 2.594 3.189 -6.843 546 H VAL 71 H VAL 71 3.774 3.985 -4.556 547 HA VAL 71 HA VAL 71 6.680 3.764 -4.911 548 HB VAL 71 HB VAL 71 6.906 3.225 -2.481 549 HG11 VAL 71 1HG1 VAL 71 6.823 5.558 -1.701 550 HG12 VAL 71 2HG1 VAL 71 5.904 5.990 -3.143 551 HG13 VAL 71 3HG1 VAL 71 7.561 5.409 -3.295 552 HG21 VAL 71 3HG2 VAL 71 4.080 4.267 -2.360 553 HG22 VAL 71 1HG2 VAL 71 5.124 4.031 -0.957 554 HG23 VAL 71 2HG2 VAL 71 4.640 2.648 -1.936 555 H TYR 72 H TYR 72 7.537 1.651 -4.334 556 HA TYR 72 HA TYR 72 5.527 -0.427 -4.883 557 HB2 TYR 72 2HB TYR 72 8.471 -0.442 -5.589 558 HB3 TYR 72 1HB TYR 72 7.286 -1.670 -6.026 559 HD1 TYR 72 2HD TYR 72 5.373 -1.005 -7.548 560 HD2 TYR 72 1HD TYR 72 8.781 1.464 -6.934 561 HE1 TYR 72 2HE TYR 72 4.821 0.256 -9.580 562 HE2 TYR 72 1HE TYR 72 8.231 2.737 -8.963 563 HH TYR 72 HH TYR 72 5.276 2.672 -10.414 564 H LEU 73 H LEU 73 5.147 -1.761 -3.290 565 HA LEU 73 HA LEU 73 7.235 -2.129 -1.254 566 HB2 LEU 73 2HB LEU 73 4.360 -1.451 -1.011 567 HB3 LEU 73 1HB LEU 73 5.041 -2.522 0.199 568 HG LEU 73 HG LEU 73 6.133 0.213 -0.460 569 HD11 LEU 73 1HD1 LEU 73 5.160 0.913 1.665 570 HD12 LEU 73 2HD1 LEU 73 4.430 -0.680 1.862 571 HD13 LEU 73 3HD1 LEU 73 3.912 0.370 0.543 572 HD21 LEU 73 3HD2 LEU 73 6.792 -1.835 1.646 573 HD22 LEU 73 1HD2 LEU 73 7.327 -0.154 1.714 574 HD23 LEU 73 2HD2 LEU 73 7.852 -1.195 0.393 575 H LYS 74 H LYS 74 7.548 -4.100 -0.394 576 HA LYS 74 HA LYS 74 5.875 -6.295 -1.413 577 HB2 LYS 74 2HB LYS 74 8.669 -5.942 -1.617 578 HB3 LYS 74 1HB LYS 74 8.426 -7.185 -0.399 579 HG2 LYS 74 2HG LYS 74 6.711 -7.762 -2.588 580 HG3 LYS 74 1HG LYS 74 8.322 -7.427 -3.221 581 HD2 LYS 74 2HD LYS 74 8.248 -9.754 -2.778 582 HD3 LYS 74 1HD LYS 74 9.206 -9.030 -1.485 583 HE2 LYS 74 2HE LYS 74 7.104 -8.981 -0.102 584 HE3 LYS 74 1HE LYS 74 6.342 -9.945 -1.367 585 HZ1 LYS 74 3HZ LYS 74 8.009 -11.657 -1.016 586 HZ2 LYS 74 1HZ LYS 74 7.177 -11.331 0.423 587 HZ3 LYS 74 2HZ LYS 74 8.738 -10.729 0.192 588 HA PRO 75 HA PRO 75 4.668 -6.496 2.877 589 HB2 PRO 75 2HB PRO 75 3.403 -8.917 2.679 590 HB3 PRO 75 1HB PRO 75 2.666 -7.378 2.229 591 HG2 PRO 75 2HG PRO 75 3.971 -9.437 0.505 592 HG3 PRO 75 1HG PRO 75 2.485 -8.517 0.215 593 HD2 PRO 75 2HD PRO 75 4.789 -7.832 -0.972 594 HD3 PRO 75 1HD PRO 75 3.642 -6.606 -0.403 595 H ARG 76 H ARG 76 4.905 -7.875 4.680 596 HA ARG 76 HA ARG 76 7.558 -8.612 5.055 597 HB2 ARG 76 2HB ARG 76 5.166 -9.380 6.719 598 HB3 ARG 76 1HB ARG 76 6.838 -9.353 7.261 599 HG2 ARG 76 2HG ARG 76 6.923 -7.073 7.384 600 HG3 ARG 76 1HG ARG 76 5.685 -6.848 6.151 601 HD2 ARG 76 2HD ARG 76 4.887 -6.186 8.365 602 HD3 ARG 76 1HD ARG 76 3.966 -7.540 7.719 603 HE ARG 76 HE ARG 76 5.349 -8.972 9.207 604 HH11 ARG 76 1HH1 ARG 76 5.000 -5.561 9.944 605 HH12 ARG 76 2HH1 ARG 76 5.171 -5.788 11.654 606 HH21 ARG 76 1HH2 ARG 76 5.559 -9.268 11.454 607 HH22 ARG 76 2HH2 ARG 76 5.489 -7.893 12.514 608 H ALA 77 H ALA 77 4.788 -10.553 4.172 609 HA ALA 77 HA ALA 77 5.989 -13.071 4.703 610 HB1 ALA 77 1HB ALA 77 4.191 -14.029 3.402 611 HB2 ALA 77 2HB ALA 77 3.770 -12.439 2.768 612 HB3 ALA 77 3HB ALA 77 3.559 -12.789 4.485 613 H VAL 78 H VAL 78 8.058 -12.847 3.830 614 HA VAL 78 HA VAL 78 8.603 -12.436 1.107 615 HB VAL 78 HB VAL 78 10.292 -12.310 2.920 616 HG11 VAL 78 1HG1 VAL 78 11.379 -14.394 3.679 617 HG12 VAL 78 2HG1 VAL 78 10.102 -15.317 2.886 618 HG13 VAL 78 3HG1 VAL 78 9.711 -14.242 4.229 619 HG21 VAL 78 3HG2 VAL 78 12.125 -13.330 1.648 620 HG22 VAL 78 1HG2 VAL 78 11.008 -12.432 0.621 621 HG23 VAL 78 2HG2 VAL 78 10.941 -14.191 0.666 622 H LYS 79 H LYS 79 7.479 -15.216 2.864 623 HA LYS 79 HA LYS 79 8.307 -17.238 1.097 624 HB2 LYS 79 2HB LYS 79 6.718 -18.674 2.211 625 HB3 LYS 79 1HB LYS 79 7.525 -17.662 3.396 626 HG2 LYS 79 2HG LYS 79 5.581 -16.224 3.538 627 HG3 LYS 79 1HG LYS 79 4.776 -17.156 2.276 628 HD2 LYS 79 2HD LYS 79 3.944 -17.825 4.452 629 HD3 LYS 79 1HD LYS 79 4.855 -19.146 3.726 630 HE2 LYS 79 2HE LYS 79 6.797 -18.567 5.084 631 HE3 LYS 79 1HE LYS 79 5.908 -17.222 5.795 632 HZ1 LYS 79 3HZ LYS 79 4.344 -18.802 6.739 633 HZ2 LYS 79 1HZ LYS 79 5.920 -19.150 7.245 634 HZ3 LYS 79 2HZ LYS 79 5.191 -20.093 6.048 635 H ASN 80 H ASN 80 5.692 -14.971 0.875 636 HA ASN 80 HA ASN 80 4.011 -16.423 -0.866 637 HB2 ASN 80 2HB ASN 80 4.374 -13.463 -0.448 638 HB3 ASN 80 1HB ASN 80 3.207 -14.121 -1.589 639 HD21 ASN 80 1HD2 ASN 80 2.636 -12.511 0.666 640 HD22 ASN 80 2HD2 ASN 80 1.655 -13.455 1.727 641 H SER 81 H SER 81 6.863 -14.512 -1.354 642 HA SER 81 HA SER 81 8.292 -14.262 -3.073 643 HB2 SER 81 2HB SER 81 6.744 -16.498 -4.392 644 HB3 SER 81 1HB SER 81 8.370 -15.958 -4.810 645 HG SER 81 HG SER 81 7.554 -17.070 -2.323 646 H SER 82 H SER 82 5.310 -15.102 -4.861 647 HA SER 82 HA SER 82 5.958 -12.872 -6.633 648 HB2 SER 82 2HB SER 82 4.061 -15.176 -7.111 649 HB3 SER 82 1HB SER 82 4.641 -14.017 -8.304 650 HG SER 82 HG SER 82 5.851 -16.260 -7.317 651 H VAL 83 H VAL 83 4.901 -11.876 -4.409 652 HA VAL 83 HA VAL 83 2.362 -10.854 -5.460 653 HB VAL 83 HB VAL 83 1.802 -12.346 -3.563 654 HG11 VAL 83 1HG1 VAL 83 2.437 -11.767 -1.280 655 HG12 VAL 83 2HG1 VAL 83 3.431 -10.440 -1.887 656 HG13 VAL 83 3HG1 VAL 83 3.861 -12.108 -2.266 657 HG21 VAL 83 3HG2 VAL 83 1.360 -9.412 -3.023 658 HG22 VAL 83 1HG2 VAL 83 0.444 -10.731 -2.297 659 HG23 VAL 83 2HG2 VAL 83 0.360 -10.454 -4.037 660 H GLN 84 H GLN 84 2.291 -8.684 -5.561 661 HA GLN 84 HA GLN 84 4.349 -7.183 -4.097 662 HB2 GLN 84 2HB GLN 84 3.714 -6.943 -7.040 663 HB3 GLN 84 1HB GLN 84 4.715 -5.806 -6.145 664 HG2 GLN 84 2HG GLN 84 6.329 -7.526 -5.673 665 HG3 GLN 84 1HG GLN 84 5.300 -8.741 -6.427 666 HE21 GLN 84 1HE2 GLN 84 6.857 -9.314 -7.896 667 HE22 GLN 84 2HE2 GLN 84 7.289 -8.307 -9.234 668 H PHE 85 H PHE 85 3.743 -5.245 -3.327 669 HA PHE 85 HA PHE 85 0.941 -4.514 -3.758 670 HB2 PHE 85 2HB PHE 85 2.851 -4.021 -1.487 671 HB3 PHE 85 1HB PHE 85 1.408 -3.033 -1.686 672 HD1 PHE 85 1HD PHE 85 1.872 -6.696 -2.214 673 HD2 PHE 85 2HD PHE 85 0.020 -3.615 0.059 674 HE1 PHE 85 1HE PHE 85 0.545 -8.385 -1.018 675 HE2 PHE 85 2HE PHE 85 -1.310 -5.297 1.261 676 HZ PHE 85 HZ PHE 85 -1.049 -7.685 0.724 677 H HIS 86 H HIS 86 0.469 -2.808 -4.907 678 HA HIS 86 HA HIS 86 2.616 -0.894 -5.514 679 HB2 HIS 86 2HB HIS 86 0.034 -1.490 -6.982 680 HB3 HIS 86 1HB HIS 86 1.135 -0.185 -7.414 681 HD1 HIS 86 1HD HIS 86 2.517 -0.822 -9.365 682 HD2 HIS 86 2HD HIS 86 1.696 -4.078 -6.916 683 HE1 HIS 86 1HE HIS 86 3.667 -2.785 -10.437 684 HE2 HIS 86 2HE HIS 86 2.933 -4.778 -9.069 685 H VAL 87 H VAL 87 2.550 0.656 -4.009 686 HA VAL 87 HA VAL 87 -0.048 1.618 -3.096 687 HB VAL 87 HB VAL 87 2.743 2.347 -2.192 688 HG11 VAL 87 1HG1 VAL 87 0.066 3.153 -1.066 689 HG12 VAL 87 2HG1 VAL 87 1.217 4.211 -1.884 690 HG13 VAL 87 3HG1 VAL 87 1.632 3.491 -0.329 691 HG21 VAL 87 3HG2 VAL 87 2.137 1.114 -0.147 692 HG22 VAL 87 1HG2 VAL 87 2.157 0.080 -1.575 693 HG23 VAL 87 2HG2 VAL 87 0.620 0.635 -0.907 694 H ILE 88 H ILE 88 -0.966 3.082 -4.272 695 HA ILE 88 HA ILE 88 0.715 4.865 -5.887 696 HB ILE 88 HB ILE 88 -2.106 3.893 -6.357 697 HG12 ILE 88 2HG1 ILE 88 0.441 3.380 -7.906 698 HG13 ILE 88 1HG1 ILE 88 -0.250 2.259 -6.734 699 HG21 ILE 88 1HG2 ILE 88 -1.966 5.056 -8.506 700 HG22 ILE 88 2HG2 ILE 88 -0.396 5.713 -8.046 701 HG23 ILE 88 3HG2 ILE 88 -1.842 6.178 -7.150 702 HD11 ILE 88 3HD1 ILE 88 -1.547 3.172 -9.289 703 HD12 ILE 88 1HD1 ILE 88 -2.267 2.081 -8.105 704 HD13 ILE 88 2HD1 ILE 88 -0.818 1.594 -8.983 705 H PHE 89 H PHE 89 0.377 7.003 -5.846 706 HA PHE 89 HA PHE 89 -1.314 7.957 -3.666 707 HB2 PHE 89 2HB PHE 89 1.109 9.123 -5.028 708 HB3 PHE 89 1HB PHE 89 0.126 10.008 -3.870 709 HD1 PHE 89 2HD PHE 89 -0.181 9.097 -1.585 710 HD2 PHE 89 1HD PHE 89 2.712 7.554 -4.288 711 HE1 PHE 89 2HE PHE 89 0.970 7.992 0.281 712 HE2 PHE 89 1HE PHE 89 3.859 6.438 -2.426 713 HZ PHE 89 HZ PHE 89 2.970 6.661 -0.150 714 H ASP 90 H ASP 90 -3.252 8.584 -4.378 715 HA ASP 90 HA ASP 90 -3.684 9.447 -7.079 716 HB2 ASP 90 2HB ASP 90 -5.429 9.084 -4.673 717 HB3 ASP 90 1HB ASP 90 -6.017 10.064 -6.009 718 H GLU 91 H GLU 91 -3.294 11.402 -7.788 719 HA GLU 91 HA GLU 91 -2.713 13.506 -5.905 720 HB2 GLU 91 2HB GLU 91 -2.661 13.534 -8.929 721 HB3 GLU 91 1HB GLU 91 -2.001 14.777 -7.873 722 HG2 GLU 91 2HG GLU 91 -0.438 13.117 -6.943 723 HG3 GLU 91 1HG GLU 91 -1.059 11.928 -8.085 724 H GLU 92 H GLU 92 -4.201 14.746 -5.133 725 HA GLU 92 HA GLU 92 -6.662 15.201 -6.674 726 HB2 GLU 92 2HB GLU 92 -6.228 15.432 -3.694 727 HB3 GLU 92 1HB GLU 92 -7.764 15.566 -4.536 728 HG2 GLU 92 2HG GLU 92 -7.632 13.224 -5.171 729 HG3 GLU 92 1HG GLU 92 -6.061 13.088 -4.381 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 5.015 -10.708 -17.933 2 H2 GLY 1 2HT GLY 1 4.389 -9.551 -18.991 3 H3 GLY 1 3HT GLY 1 3.522 -10.966 -18.676 4 HA2 GLY 1 1HA GLY 1 4.135 -8.853 -16.693 5 HA3 GLY 1 2HA GLY 1 2.581 -9.085 -17.483 6 H SER 2 H SER 2 2.192 -9.144 -14.985 7 HA SER 2 HA SER 2 2.725 -11.754 -13.822 8 HB2 SER 2 2HB SER 2 1.230 -9.400 -12.642 9 HB3 SER 2 1HB SER 2 1.853 -10.801 -11.769 10 HG SER 2 HG SER 2 3.969 -10.033 -12.803 11 H ALA 3 H ALA 3 0.887 -11.458 -16.131 12 HA ALA 3 HA ALA 3 -1.504 -12.634 -14.873 13 HB1 ALA 3 1HB ALA 3 -2.871 -11.688 -16.652 14 HB2 ALA 3 2HB ALA 3 -1.444 -10.938 -17.366 15 HB3 ALA 3 3HB ALA 3 -2.016 -10.416 -15.782 16 H MET 4 H MET 4 1.150 -13.403 -16.499 17 HA MET 4 HA MET 4 0.059 -15.041 -18.580 18 HB2 MET 4 2HB MET 4 2.388 -15.951 -18.739 19 HB3 MET 4 1HB MET 4 2.265 -14.214 -18.935 20 HG2 MET 4 2HG MET 4 4.116 -14.421 -17.597 21 HG3 MET 4 1HG MET 4 2.845 -14.130 -16.416 22 HE1 MET 4 3HE MET 4 4.690 -18.271 -17.272 23 HE2 MET 4 1HE MET 4 5.167 -16.787 -18.095 24 HE3 MET 4 2HE MET 4 3.573 -17.486 -18.386 25 H GLY 5 H GLY 5 -0.176 -17.278 -18.609 26 HA2 GLY 5 2HA GLY 5 -0.732 -19.325 -17.688 27 HA3 GLY 5 1HA GLY 5 0.122 -18.850 -16.222 28 H HIS 6 H HIS 6 -0.964 -17.641 -14.643 29 HA HIS 6 HA HIS 6 -3.795 -17.053 -15.092 30 HB2 HIS 6 2HB HIS 6 -2.693 -18.590 -12.731 31 HB3 HIS 6 1HB HIS 6 -4.244 -17.763 -12.683 32 HD1 HIS 6 1HD HIS 6 -3.067 -21.010 -13.033 33 HD2 HIS 6 2HD HIS 6 -5.784 -18.748 -15.223 34 HE1 HIS 6 1HE HIS 6 -4.491 -22.671 -14.268 35 HE2 HIS 6 2HE HIS 6 -6.189 -21.288 -15.510 36 H MET 7 H MET 7 -1.447 -16.897 -12.440 37 HA MET 7 HA MET 7 -0.784 -14.206 -12.732 38 HB2 MET 7 2HB MET 7 -1.923 -13.275 -10.696 39 HB3 MET 7 1HB MET 7 -2.994 -13.591 -12.050 40 HG2 MET 7 2HG MET 7 -3.730 -15.663 -10.979 41 HG3 MET 7 1HG MET 7 -2.659 -15.331 -9.617 42 HE1 MET 7 3HE MET 7 -2.976 -13.338 -7.928 43 HE2 MET 7 1HE MET 7 -4.251 -12.124 -8.057 44 HE3 MET 7 2HE MET 7 -2.961 -12.181 -9.258 45 HA PRO 8 HA PRO 8 1.929 -16.981 -10.219 46 HB2 PRO 8 2HB PRO 8 3.969 -15.245 -11.479 47 HB3 PRO 8 1HB PRO 8 3.891 -17.008 -11.397 48 HG2 PRO 8 2HG PRO 8 3.401 -15.702 -13.678 49 HG3 PRO 8 1HG PRO 8 2.503 -17.165 -13.239 50 HD2 PRO 8 2HD PRO 8 1.658 -14.302 -13.085 51 HD3 PRO 8 1HD PRO 8 0.717 -15.732 -13.556 52 H ALA 9 H ALA 9 2.656 -13.557 -10.838 53 HA ALA 9 HA ALA 9 3.251 -13.185 -8.007 54 HB1 ALA 9 1HB ALA 9 3.561 -11.269 -10.320 55 HB2 ALA 9 2HB ALA 9 4.842 -12.262 -9.627 56 HB3 ALA 9 3HB ALA 9 4.097 -10.989 -8.663 57 H VAL 10 H VAL 10 1.894 -12.187 -6.653 58 HA VAL 10 HA VAL 10 -0.693 -11.368 -7.709 59 HB VAL 10 HB VAL 10 0.236 -11.506 -4.834 60 HG11 VAL 10 1HG1 VAL 10 -2.537 -11.294 -6.003 61 HG12 VAL 10 2HG1 VAL 10 -1.668 -10.017 -5.152 62 HG13 VAL 10 3HG1 VAL 10 -2.153 -11.477 -4.292 63 HG21 VAL 10 3HG2 VAL 10 0.327 -13.702 -5.870 64 HG22 VAL 10 1HG2 VAL 10 -1.328 -13.514 -6.449 65 HG23 VAL 10 2HG2 VAL 10 -1.007 -13.615 -4.719 66 H ASP 11 H ASP 11 -1.057 -9.348 -8.236 67 HA ASP 11 HA ASP 11 0.686 -7.255 -7.143 68 HB2 ASP 11 2HB ASP 11 0.680 -7.566 -9.606 69 HB3 ASP 11 1HB ASP 11 -1.045 -7.225 -9.629 70 H VAL 12 H VAL 12 -0.152 -6.026 -5.630 71 HA VAL 12 HA VAL 12 -3.079 -5.792 -5.434 72 HB VAL 12 HB VAL 12 -0.952 -5.401 -3.318 73 HG11 VAL 12 1HG1 VAL 12 -2.818 -3.864 -2.978 74 HG12 VAL 12 2HG1 VAL 12 -2.797 -5.121 -1.741 75 HG13 VAL 12 3HG1 VAL 12 -3.949 -5.212 -3.072 76 HG21 VAL 12 3HG2 VAL 12 -1.326 -7.739 -3.887 77 HG22 VAL 12 1HG2 VAL 12 -3.060 -7.535 -3.639 78 HG23 VAL 12 2HG2 VAL 12 -1.949 -7.379 -2.277 79 H GLU 13 H GLU 13 -3.950 -3.881 -5.977 80 HA GLU 13 HA GLU 13 -2.159 -1.588 -6.214 81 HB2 GLU 13 2HB GLU 13 -4.022 -0.564 -7.532 82 HB3 GLU 13 1HB GLU 13 -3.365 -2.029 -8.248 83 HG2 GLU 13 2HG GLU 13 -5.263 -3.243 -7.851 84 HG3 GLU 13 1HG GLU 13 -5.732 -2.255 -6.469 85 H ILE 14 H ILE 14 -2.124 -0.250 -4.553 86 HA ILE 14 HA ILE 14 -4.685 0.283 -3.208 87 HB ILE 14 HB ILE 14 -1.928 0.856 -2.087 88 HG12 ILE 14 2HG1 ILE 14 -3.859 -1.399 -1.454 89 HG13 ILE 14 1HG1 ILE 14 -2.264 -1.562 -2.177 90 HG21 ILE 14 1HG2 ILE 14 -3.646 2.364 -1.267 91 HG22 ILE 14 2HG2 ILE 14 -3.146 1.260 0.015 92 HG23 ILE 14 3HG2 ILE 14 -4.671 0.997 -0.831 93 HD11 ILE 14 3HD1 ILE 14 -2.853 -0.625 0.629 94 HD12 ILE 14 1HD1 ILE 14 -1.246 -0.765 -0.092 95 HD13 ILE 14 2HD1 ILE 14 -2.229 -2.206 0.161 96 H HIS 15 H HIS 15 -5.325 2.453 -3.038 97 HA HIS 15 HA HIS 15 -3.609 4.379 -4.449 98 HB2 HIS 15 2HB HIS 15 -6.608 4.068 -4.648 99 HB3 HIS 15 1HB HIS 15 -5.741 5.487 -5.224 100 HD1 HIS 15 1HD HIS 15 -6.665 2.048 -6.157 101 HD2 HIS 15 2HD HIS 15 -4.002 4.960 -7.458 102 HE1 HIS 15 1HE HIS 15 -5.903 1.294 -8.425 103 HE2 HIS 15 2HE HIS 15 -4.483 3.190 -9.285 104 H PHE 16 H PHE 16 -3.083 6.082 -3.283 105 HA PHE 16 HA PHE 16 -4.823 6.802 -1.022 106 HB2 PHE 16 2HB PHE 16 -1.811 6.799 -1.167 107 HB3 PHE 16 1HB PHE 16 -2.699 7.696 0.051 108 HD1 PHE 16 2HD PHE 16 -4.882 5.461 0.350 109 HD2 PHE 16 1HD PHE 16 -0.628 5.483 0.418 110 HE1 PHE 16 2HE PHE 16 -4.896 3.484 1.810 111 HE2 PHE 16 1HE PHE 16 -0.637 3.510 1.881 112 HZ PHE 16 HZ PHE 16 -2.770 2.512 2.580 113 HA PRO 17 HA PRO 17 -4.987 10.877 -2.939 114 HB2 PRO 17 2HB PRO 17 -5.858 12.106 -0.621 115 HB3 PRO 17 1HB PRO 17 -6.918 11.327 -1.799 116 HG2 PRO 17 2HG PRO 17 -5.828 10.243 0.768 117 HG3 PRO 17 1HG PRO 17 -7.460 10.092 0.098 118 HD2 PRO 17 2HD PRO 17 -5.712 8.090 -0.048 119 HD3 PRO 17 1HD PRO 17 -6.808 8.439 -1.403 120 H LEU 18 H LEU 18 -3.246 12.059 -3.199 121 HA LEU 18 HA LEU 18 -0.870 11.748 -1.857 122 HB2 LEU 18 2HB LEU 18 -1.146 12.686 -4.112 123 HB3 LEU 18 1HB LEU 18 -1.784 14.161 -3.418 124 HG LEU 18 HG LEU 18 0.430 14.481 -2.267 125 HD11 LEU 18 1HD1 LEU 18 1.254 12.230 -4.095 126 HD12 LEU 18 2HD1 LEU 18 1.190 12.169 -2.334 127 HD13 LEU 18 3HD1 LEU 18 2.343 13.236 -3.138 128 HD21 LEU 18 3HD2 LEU 18 -0.162 15.676 -4.317 129 HD22 LEU 18 1HD2 LEU 18 0.470 14.341 -5.281 130 HD23 LEU 18 2HD2 LEU 18 1.558 15.293 -4.270 131 H LYS 19 H LYS 19 -3.375 14.148 -1.218 132 HA LYS 19 HA LYS 19 -1.764 15.654 0.610 133 HB2 LYS 19 2HB LYS 19 -4.718 15.661 0.029 134 HB3 LYS 19 1HB LYS 19 -3.991 16.697 1.247 135 HG2 LYS 19 2HG LYS 19 -2.531 17.646 -0.527 136 HG3 LYS 19 1HG LYS 19 -3.450 16.713 -1.710 137 HD2 LYS 19 2HD LYS 19 -4.654 18.722 0.184 138 HD3 LYS 19 1HD LYS 19 -4.209 19.078 -1.486 139 HE2 LYS 19 2HE LYS 19 -5.778 17.326 -2.218 140 HE3 LYS 19 1HE LYS 19 -6.214 17.062 -0.534 141 HZ1 LYS 19 3HZ LYS 19 -7.829 18.475 -1.582 142 HZ2 LYS 19 1HZ LYS 19 -6.626 19.561 -2.070 143 HZ3 LYS 19 2HZ LYS 19 -6.974 19.369 -0.429 144 H ARG 20 H ARG 20 -4.095 13.045 0.940 145 HA ARG 20 HA ARG 20 -4.420 13.510 3.768 146 HB2 ARG 20 2HB ARG 20 -5.630 11.691 1.763 147 HB3 ARG 20 1HB ARG 20 -5.734 11.232 3.458 148 HG2 ARG 20 2HG ARG 20 -6.909 13.214 4.001 149 HG3 ARG 20 1HG ARG 20 -6.604 13.910 2.407 150 HD2 ARG 20 2HD ARG 20 -8.179 12.579 1.381 151 HD3 ARG 20 1HD ARG 20 -8.067 11.318 2.610 152 HE ARG 20 HE ARG 20 -9.184 13.039 4.110 153 HH11 ARG 20 1HH1 ARG 20 -9.753 12.880 0.647 154 HH12 ARG 20 2HH1 ARG 20 -11.355 13.534 0.760 155 HH21 ARG 20 1HH2 ARG 20 -11.284 13.892 4.246 156 HH22 ARG 20 2HH2 ARG 20 -12.222 14.119 2.806 157 H ILE 21 H ILE 21 -2.581 11.297 1.746 158 HA ILE 21 HA ILE 21 -1.858 9.598 3.926 159 HB ILE 21 HB ILE 21 -1.696 8.846 1.582 160 HG12 ILE 21 2HG1 ILE 21 0.394 7.624 1.800 161 HG13 ILE 21 1HG1 ILE 21 0.994 8.793 2.971 162 HG21 ILE 21 1HG2 ILE 21 0.251 9.553 0.219 163 HG22 ILE 21 2HG2 ILE 21 0.603 10.790 1.426 164 HG23 ILE 21 3HG2 ILE 21 -0.905 10.851 0.513 165 HD11 ILE 21 3HD1 ILE 21 -0.677 8.083 4.565 166 HD12 ILE 21 1HD1 ILE 21 0.258 6.700 4.002 167 HD13 ILE 21 2HD1 ILE 21 -1.370 6.975 3.380 168 H ALA 22 H ALA 22 -0.976 12.706 2.933 169 HA ALA 22 HA ALA 22 1.488 12.719 4.509 170 HB1 ALA 22 1HB ALA 22 1.820 14.965 3.607 171 HB2 ALA 22 2HB ALA 22 0.251 14.884 2.805 172 HB3 ALA 22 3HB ALA 22 1.554 13.800 2.312 173 H ALA 23 H ALA 23 -1.295 12.452 5.565 174 HA ALA 23 HA ALA 23 -1.336 14.829 7.309 175 HB1 ALA 23 1HB ALA 23 -3.330 14.676 5.920 176 HB2 ALA 23 2HB ALA 23 -3.738 14.392 7.610 177 HB3 ALA 23 3HB ALA 23 -3.623 13.036 6.492 178 H GLU 24 H GLU 24 -1.508 14.510 9.527 179 HA GLU 24 HA GLU 24 -0.783 11.844 10.424 180 HB2 GLU 24 2HB GLU 24 -0.521 12.982 12.673 181 HB3 GLU 24 1HB GLU 24 0.572 13.505 11.403 182 HG2 GLU 24 2HG GLU 24 -0.126 15.423 12.607 183 HG3 GLU 24 1HG GLU 24 -0.907 15.470 11.030 184 H GLY 25 H GLY 25 -3.563 13.679 10.052 185 HA2 GLY 25 2HA GLY 25 -5.044 12.118 12.053 186 HA3 GLY 25 1HA GLY 25 -5.663 13.510 11.169 187 H TYR 26 H TYR 26 -3.896 10.866 9.768 188 HA TYR 26 HA TYR 26 -5.651 10.607 7.602 189 HB2 TYR 26 2HB TYR 26 -4.269 8.658 6.997 190 HB3 TYR 26 1HB TYR 26 -3.293 10.052 7.431 191 HD1 TYR 26 1HD TYR 26 -4.341 6.680 8.447 192 HD2 TYR 26 2HD TYR 26 -1.919 10.040 9.419 193 HE1 TYR 26 1HE TYR 26 -3.116 5.317 10.087 194 HE2 TYR 26 2HE TYR 26 -0.690 8.687 11.059 195 HH TYR 26 HH TYR 26 -1.016 6.675 12.400 196 H ALA 27 H ALA 27 -5.688 9.145 10.724 197 HA ALA 27 HA ALA 27 -7.165 6.810 10.103 198 HB1 ALA 27 1HB ALA 27 -7.048 8.343 12.697 199 HB2 ALA 27 2HB ALA 27 -5.936 7.066 12.201 200 HB3 ALA 27 3HB ALA 27 -7.635 6.693 12.493 201 H GLU 28 H GLU 28 -8.024 10.102 10.239 202 HA GLU 28 HA GLU 28 -10.870 9.501 10.535 203 HB2 GLU 28 2HB GLU 28 -9.268 12.041 10.600 204 HB3 GLU 28 1HB GLU 28 -11.015 12.074 10.402 205 HG2 GLU 28 2HG GLU 28 -9.581 10.767 12.702 206 HG3 GLU 28 1HG GLU 28 -10.275 12.388 12.737 207 H ASP 29 H ASP 29 -8.578 9.787 8.114 208 HA ASP 29 HA ASP 29 -10.281 11.068 6.187 209 HB2 ASP 29 2HB ASP 29 -7.543 9.819 6.015 210 HB3 ASP 29 1HB ASP 29 -8.405 10.409 4.596 211 H GLU 30 H GLU 30 -11.962 10.054 5.535 212 HA GLU 30 HA GLU 30 -12.544 7.370 5.892 213 HB2 GLU 30 2HB GLU 30 -14.176 9.185 5.640 214 HB3 GLU 30 1HB GLU 30 -13.731 9.343 3.949 215 HG2 GLU 30 2HG GLU 30 -14.561 7.086 3.526 216 HG3 GLU 30 1HG GLU 30 -15.028 6.949 5.223 217 H LEU 31 H LEU 31 -11.287 9.043 3.051 218 HA LEU 31 HA LEU 31 -11.713 6.994 1.207 219 HB2 LEU 31 2HB LEU 31 -11.103 9.424 0.755 220 HB3 LEU 31 1HB LEU 31 -9.445 8.969 1.107 221 HG LEU 31 HG LEU 31 -9.449 7.406 -0.762 222 HD11 LEU 31 1HD1 LEU 31 -11.374 7.429 -2.342 223 HD12 LEU 31 2HD1 LEU 31 -12.294 8.309 -1.122 224 HD13 LEU 31 3HD1 LEU 31 -11.720 6.676 -0.787 225 HD21 LEU 31 3HD2 LEU 31 -9.633 9.021 -2.599 226 HD22 LEU 31 1HD2 LEU 31 -8.772 9.687 -1.214 227 HD23 LEU 31 2HD2 LEU 31 -10.447 10.147 -1.512 228 H LEU 32 H LEU 32 -9.064 7.682 3.408 229 HA LEU 32 HA LEU 32 -7.277 5.751 2.382 230 HB2 LEU 32 2HB LEU 32 -7.197 7.809 4.214 231 HB3 LEU 32 1HB LEU 32 -7.025 6.381 5.217 232 HG LEU 32 HG LEU 32 -5.189 5.683 3.613 233 HD11 LEU 32 1HD1 LEU 32 -5.387 8.584 2.850 234 HD12 LEU 32 2HD1 LEU 32 -5.720 7.204 1.803 235 HD13 LEU 32 3HD1 LEU 32 -4.082 7.489 2.392 236 HD21 LEU 32 3HD2 LEU 32 -4.752 8.161 5.258 237 HD22 LEU 32 1HD2 LEU 32 -3.516 7.005 4.766 238 HD23 LEU 32 2HD2 LEU 32 -4.786 6.514 5.888 239 H LEU 33 H LEU 33 -9.610 5.803 5.030 240 HA LEU 33 HA LEU 33 -8.967 3.273 6.075 241 HB2 LEU 33 2HB LEU 33 -11.007 5.308 6.473 242 HB3 LEU 33 1HB LEU 33 -11.543 3.682 6.826 243 HG LEU 33 HG LEU 33 -10.722 4.811 8.828 244 HD11 LEU 33 1HD1 LEU 33 -9.184 3.106 9.608 245 HD12 LEU 33 2HD1 LEU 33 -8.882 2.598 7.948 246 HD13 LEU 33 3HD1 LEU 33 -10.482 2.385 8.658 247 HD21 LEU 33 3HD2 LEU 33 -9.126 6.326 7.811 248 HD22 LEU 33 1HD2 LEU 33 -8.095 4.968 7.364 249 HD23 LEU 33 2HD2 LEU 33 -8.346 5.361 9.063 250 H ASN 34 H ASN 34 -11.583 4.318 3.870 251 HA ASN 34 HA ASN 34 -12.698 1.699 3.778 252 HB2 ASN 34 2HB ASN 34 -14.333 2.516 2.374 253 HB3 ASN 34 1HB ASN 34 -13.835 3.990 3.191 254 HD21 ASN 34 1HD2 ASN 34 -12.838 5.587 2.047 255 HD22 ASN 34 2HD2 ASN 34 -12.713 5.572 0.320 256 H GLN 35 H GLN 35 -10.292 3.391 1.859 257 HA GLN 35 HA GLN 35 -10.205 1.535 -0.271 258 HB2 GLN 35 2HB GLN 35 -8.828 3.876 0.470 259 HB3 GLN 35 1HB GLN 35 -7.601 2.636 0.274 260 HG2 GLN 35 2HG GLN 35 -7.755 2.722 -1.928 261 HG3 GLN 35 1HG GLN 35 -9.501 2.516 -1.874 262 HE21 GLN 35 1HE2 GLN 35 -7.853 5.254 -0.385 263 HE22 GLN 35 2HE2 GLN 35 -8.412 6.425 -1.516 264 H MET 36 H MET 36 -8.425 1.753 2.782 265 HA MET 36 HA MET 36 -7.151 -0.802 2.324 266 HB2 MET 36 2HB MET 36 -7.133 1.062 4.695 267 HB3 MET 36 1HB MET 36 -6.304 -0.490 4.679 268 HG2 MET 36 2HG MET 36 -5.744 1.937 3.012 269 HG3 MET 36 1HG MET 36 -4.680 1.123 4.157 270 HE1 MET 36 3HE MET 36 -3.446 -1.355 3.537 271 HE2 MET 36 1HE MET 36 -4.076 -2.292 2.180 272 HE3 MET 36 2HE MET 36 -5.137 -1.864 3.526 273 H GLY 37 H GLY 37 -10.198 0.076 3.188 274 HA2 GLY 37 2HA GLY 37 -10.657 -2.391 4.685 275 HA3 GLY 37 1HA GLY 37 -11.877 -1.206 4.220 276 H LYS 38 H LYS 38 -10.905 -1.072 1.487 277 HA LYS 38 HA LYS 38 -12.470 -3.101 0.293 278 HB2 LYS 38 2HB LYS 38 -10.439 -1.200 -0.873 279 HB3 LYS 38 1HB LYS 38 -11.496 -2.224 -1.840 280 HG2 LYS 38 2HG LYS 38 -13.442 -1.084 -1.041 281 HG3 LYS 38 1HG LYS 38 -12.483 -0.162 0.116 282 HD2 LYS 38 2HD LYS 38 -12.935 1.281 -1.714 283 HD3 LYS 38 1HD LYS 38 -11.243 0.809 -1.842 284 HE2 LYS 38 2HE LYS 38 -11.846 -0.878 -3.513 285 HE3 LYS 38 1HE LYS 38 -13.535 -0.390 -3.389 286 HZ1 LYS 38 3HZ LYS 38 -12.546 0.663 -5.280 287 HZ2 LYS 38 1HZ LYS 38 -11.277 1.277 -4.349 288 HZ3 LYS 38 2HZ LYS 38 -12.850 1.850 -4.116 289 H VAL 39 H VAL 39 -8.982 -2.472 -0.223 290 HA VAL 39 HA VAL 39 -8.745 -5.329 -0.885 291 HB VAL 39 HB VAL 39 -8.057 -3.836 -2.664 292 HG11 VAL 39 1HG1 VAL 39 -7.350 -1.892 -1.420 293 HG12 VAL 39 2HG1 VAL 39 -6.037 -2.442 -2.462 294 HG13 VAL 39 3HG1 VAL 39 -5.994 -2.792 -0.731 295 HG21 VAL 39 3HG2 VAL 39 -6.971 -6.001 -2.460 296 HG22 VAL 39 1HG2 VAL 39 -5.728 -5.291 -1.430 297 HG23 VAL 39 2HG2 VAL 39 -5.863 -4.799 -3.118 298 H ASN 40 H ASN 40 -8.639 -6.100 1.195 299 HA ASN 40 HA ASN 40 -6.165 -6.004 2.560 300 HB2 ASN 40 2HB ASN 40 -6.958 -3.722 2.950 301 HB3 ASN 40 1HB ASN 40 -8.417 -4.359 3.708 302 HD21 ASN 40 1HD2 ASN 40 -4.954 -4.191 3.935 303 HD22 ASN 40 2HD2 ASN 40 -4.855 -4.422 5.644 304 H ASP 41 H ASP 41 -9.557 -6.760 2.461 305 HA ASP 41 HA ASP 41 -9.578 -8.251 4.911 306 HB2 ASP 41 2HB ASP 41 -11.825 -8.890 4.327 307 HB3 ASP 41 1HB ASP 41 -11.616 -7.194 3.911 308 H THR 42 H THR 42 -9.162 -9.034 1.500 309 HA THR 42 HA THR 42 -8.197 -11.682 2.297 310 HB THR 42 HB THR 42 -9.210 -12.417 -0.031 311 HG1 THR 42 1HG THR 42 -11.107 -10.445 0.806 312 HG21 THR 42 3HG2 THR 42 -10.882 -12.127 2.468 313 HG22 THR 42 1HG2 THR 42 -9.764 -13.445 2.113 314 HG23 THR 42 2HG2 THR 42 -11.214 -13.229 1.131 315 HA PRO 43 HA PRO 43 -5.279 -9.606 -0.635 316 HB2 PRO 43 2HB PRO 43 -3.471 -8.673 1.034 317 HB3 PRO 43 1HB PRO 43 -5.061 -7.900 0.949 318 HG2 PRO 43 2HG PRO 43 -3.965 -9.759 3.010 319 HG3 PRO 43 1HG PRO 43 -5.040 -8.365 3.211 320 HD2 PRO 43 2HD PRO 43 -5.788 -11.090 3.038 321 HD3 PRO 43 1HD PRO 43 -6.865 -9.680 3.018 322 H GLU 44 H GLU 44 -5.208 -12.295 1.290 323 HA GLU 44 HA GLU 44 -4.004 -14.203 1.334 324 HB2 GLU 44 2HB GLU 44 -3.635 -13.834 -1.096 325 HB3 GLU 44 1HB GLU 44 -2.160 -12.958 -0.705 326 HG2 GLU 44 2HG GLU 44 -1.177 -14.934 0.245 327 HG3 GLU 44 1HG GLU 44 -2.683 -15.827 0.040 328 H GLU 45 H GLU 45 -1.931 -11.319 1.285 329 HA GLU 45 HA GLU 45 0.151 -12.316 2.856 330 HB2 GLU 45 2HB GLU 45 0.301 -10.229 1.615 331 HB3 GLU 45 1HB GLU 45 -0.915 -9.496 2.643 332 HG2 GLU 45 2HG GLU 45 1.194 -8.676 3.329 333 HG3 GLU 45 1HG GLU 45 0.639 -9.797 4.568 334 H GLU 46 H GLU 46 -2.074 -9.861 4.189 335 HA GLU 46 HA GLU 46 -2.662 -11.582 6.456 336 HB2 GLU 46 2HB GLU 46 -1.327 -8.890 6.765 337 HB3 GLU 46 1HB GLU 46 -2.128 -9.739 8.076 338 HG2 GLU 46 2HG GLU 46 -0.552 -11.586 7.843 339 HG3 GLU 46 1HG GLU 46 0.252 -10.728 6.530 340 H GLY 47 H GLY 47 -3.087 -8.204 6.932 341 HA2 GLY 47 2HA GLY 47 -5.331 -7.589 5.448 342 HA3 GLY 47 1HA GLY 47 -5.921 -8.408 6.881 343 H MET 48 H MET 48 -6.214 -7.243 8.677 344 HA MET 48 HA MET 48 -6.172 -4.518 8.734 345 HB2 MET 48 2HB MET 48 -7.414 -5.860 10.320 346 HB3 MET 48 1HB MET 48 -5.917 -6.442 11.038 347 HG2 MET 48 2HG MET 48 -6.994 -4.721 12.385 348 HG3 MET 48 1HG MET 48 -5.379 -4.263 11.848 349 HE1 MET 48 3HE MET 48 -5.311 -1.915 12.015 350 HE2 MET 48 1HE MET 48 -6.805 -1.960 12.946 351 HE3 MET 48 2HE MET 48 -6.608 -0.777 11.651 352 HA PRO 49 HA PRO 49 -1.719 -4.649 10.828 353 HB2 PRO 49 2HB PRO 49 -0.220 -6.725 9.787 354 HB3 PRO 49 1HB PRO 49 -0.951 -6.719 11.394 355 HG2 PRO 49 2HG PRO 49 -1.955 -7.939 8.860 356 HG3 PRO 49 1HG PRO 49 -1.973 -8.603 10.502 357 HD2 PRO 49 2HD PRO 49 -4.168 -7.573 9.419 358 HD3 PRO 49 1HD PRO 49 -3.791 -7.308 11.139 359 H LEU 50 H LEU 50 -2.433 -5.904 7.576 360 HA LEU 50 HA LEU 50 -0.283 -4.799 6.148 361 HB2 LEU 50 2HB LEU 50 -3.173 -5.093 5.341 362 HB3 LEU 50 1HB LEU 50 -1.917 -4.570 4.247 363 HG LEU 50 HG LEU 50 -1.934 -7.260 5.595 364 HD11 LEU 50 1HD1 LEU 50 -2.837 -6.446 2.839 365 HD12 LEU 50 2HD1 LEU 50 -3.894 -6.935 4.161 366 HD13 LEU 50 3HD1 LEU 50 -2.758 -8.091 3.468 367 HD21 LEU 50 3HD2 LEU 50 -0.433 -7.734 3.632 368 HD22 LEU 50 1HD2 LEU 50 0.247 -6.682 4.871 369 HD23 LEU 50 2HD2 LEU 50 -0.367 -5.993 3.369 370 H ARG 51 H ARG 51 -3.444 -3.512 6.980 371 HA ARG 51 HA ARG 51 -3.161 -1.074 5.624 372 HB2 ARG 51 2HB ARG 51 -5.310 -1.700 6.171 373 HB3 ARG 51 1HB ARG 51 -4.922 -2.024 7.856 374 HG2 ARG 51 2HG ARG 51 -4.540 0.485 8.063 375 HG3 ARG 51 1HG ARG 51 -5.323 0.617 6.486 376 HD2 ARG 51 2HD ARG 51 -6.494 -0.489 9.033 377 HD3 ARG 51 1HD ARG 51 -6.983 0.971 8.175 378 HE ARG 51 HE ARG 51 -7.312 -1.092 6.380 379 HH11 ARG 51 1HH1 ARG 51 -8.567 -0.257 9.533 380 HH12 ARG 51 2HH1 ARG 51 -10.066 -1.096 9.298 381 HH21 ARG 51 1HH2 ARG 51 -9.288 -2.202 6.067 382 HH22 ARG 51 2HH2 ARG 51 -10.476 -2.205 7.334 383 H ALA 52 H ALA 52 -2.548 -1.920 9.011 384 HA ALA 52 HA ALA 52 -1.798 0.669 9.804 385 HB1 ALA 52 1HB ALA 52 -0.804 -0.393 11.756 386 HB2 ALA 52 2HB ALA 52 -0.895 -1.967 10.963 387 HB3 ALA 52 3HB ALA 52 -2.375 -1.109 11.389 388 H TRP 53 H TRP 53 0.258 -2.097 8.737 389 HA TRP 53 HA TRP 53 2.619 -0.513 9.045 390 HB2 TRP 53 2HB TRP 53 3.885 -2.372 8.469 391 HB3 TRP 53 1HB TRP 53 2.460 -3.071 9.211 392 HD1 TRP 53 HD TRP 53 1.179 -4.847 7.858 393 HE1 TRP 53 1HE TRP 53 1.417 -5.844 5.501 394 HE3 TRP 53 3HE TRP 53 4.642 -1.621 5.937 395 HZ2 TRP 53 2HZ TRP 53 2.860 -5.339 3.146 396 HZ3 TRP 53 3HZ TRP 53 5.403 -1.956 3.626 397 HH2 TRP 53 HH TRP 53 4.523 -3.777 2.258 398 H VAL 54 H VAL 54 0.544 -1.321 6.328 399 HA VAL 54 HA VAL 54 2.362 -0.419 4.343 400 HB VAL 54 HB VAL 54 0.146 -1.928 4.206 401 HG11 VAL 54 1HG1 VAL 54 -1.582 -0.748 2.905 402 HG12 VAL 54 2HG1 VAL 54 -0.766 0.776 3.254 403 HG13 VAL 54 3HG1 VAL 54 -1.451 -0.179 4.569 404 HG21 VAL 54 3HG2 VAL 54 1.281 -0.275 1.960 405 HG22 VAL 54 1HG2 VAL 54 0.282 -1.713 1.762 406 HG23 VAL 54 2HG2 VAL 54 1.869 -1.839 2.520 407 H ILE 55 H ILE 55 -0.472 1.085 5.908 408 HA ILE 55 HA ILE 55 -0.216 3.580 4.640 409 HB ILE 55 HB ILE 55 -1.387 2.778 7.293 410 HG12 ILE 55 2HG1 ILE 55 -2.643 3.619 4.677 411 HG13 ILE 55 1HG1 ILE 55 -2.462 1.957 5.235 412 HG21 ILE 55 1HG2 ILE 55 -1.562 5.488 5.989 413 HG22 ILE 55 2HG2 ILE 55 -0.683 5.103 7.470 414 HG23 ILE 55 3HG2 ILE 55 -2.440 4.963 7.427 415 HD11 ILE 55 3HD1 ILE 55 -3.907 2.458 7.146 416 HD12 ILE 55 1HD1 ILE 55 -4.713 2.743 5.600 417 HD13 ILE 55 2HD1 ILE 55 -4.110 4.106 6.544 418 H LYS 56 H LYS 56 1.271 2.286 7.586 419 HA LYS 56 HA LYS 56 2.545 4.657 8.407 420 HB2 LYS 56 2HB LYS 56 2.298 2.558 9.767 421 HB3 LYS 56 1HB LYS 56 3.563 1.836 8.786 422 HG2 LYS 56 2HG LYS 56 4.527 2.589 10.836 423 HG3 LYS 56 1HG LYS 56 5.100 3.634 9.536 424 HD2 LYS 56 2HD LYS 56 4.522 4.953 11.496 425 HD3 LYS 56 1HD LYS 56 3.424 5.316 10.166 426 HE2 LYS 56 2HE LYS 56 1.724 3.881 11.145 427 HE3 LYS 56 1HE LYS 56 2.828 3.427 12.442 428 HZ1 LYS 56 3HZ LYS 56 1.284 5.119 13.175 429 HZ2 LYS 56 1HZ LYS 56 1.771 6.153 11.930 430 HZ3 LYS 56 2HZ LYS 56 2.853 5.744 13.161 431 H CYS 57 H CYS 57 3.700 1.972 6.380 432 HA CYS 57 HA CYS 57 6.283 3.019 5.936 433 HB2 CYS 57 2HB CYS 57 5.655 0.641 5.581 434 HB3 CYS 57 1HB CYS 57 4.707 1.123 4.180 435 HG CYS 57 HG CYS 57 6.719 1.590 2.512 436 H ALA 58 H ALA 58 3.319 3.137 3.973 437 HA ALA 58 HA ALA 58 4.383 4.593 1.820 438 HB1 ALA 58 1HB ALA 58 2.234 3.430 1.714 439 HB2 ALA 58 2HB ALA 58 2.070 5.123 1.253 440 HB3 ALA 58 3HB ALA 58 1.547 4.590 2.850 441 H HIS 59 H HIS 59 2.966 5.637 4.873 442 HA HIS 59 HA HIS 59 2.839 8.393 4.366 443 HB2 HIS 59 2HB HIS 59 1.906 7.054 6.359 444 HB3 HIS 59 1HB HIS 59 3.514 7.197 7.054 445 HD1 HIS 59 1HD HIS 59 1.282 8.403 8.623 446 HD2 HIS 59 2HD HIS 59 3.317 10.514 5.685 447 HE1 HIS 59 1HE HIS 59 0.912 10.829 9.160 448 HE2 HIS 59 2HE HIS 59 2.324 12.079 7.491 449 H GLU 60 H GLU 60 5.421 6.396 5.764 450 HA GLU 60 HA GLU 60 7.275 8.469 6.202 451 HB2 GLU 60 2HB GLU 60 7.693 5.522 5.695 452 HB3 GLU 60 1HB GLU 60 8.968 6.621 6.198 453 HG2 GLU 60 2HG GLU 60 6.461 6.049 7.758 454 HG3 GLU 60 1HG GLU 60 8.036 5.314 8.055 455 H ALA 61 H ALA 61 6.852 6.254 3.460 456 HA ALA 61 HA ALA 61 9.097 7.127 1.998 457 HB1 ALA 61 1HB ALA 61 8.098 5.964 0.106 458 HB2 ALA 61 2HB ALA 61 6.563 5.862 0.965 459 HB3 ALA 61 3HB ALA 61 7.973 4.996 1.574 460 H LEU 62 H LEU 62 5.717 8.144 1.956 461 HA LEU 62 HA LEU 62 5.930 9.833 -0.298 462 HB2 LEU 62 2HB LEU 62 3.832 8.890 0.594 463 HB3 LEU 62 1HB LEU 62 3.956 9.942 1.985 464 HG LEU 62 HG LEU 62 2.302 10.641 0.235 465 HD11 LEU 62 1HD1 LEU 62 4.513 12.606 0.787 466 HD12 LEU 62 2HD1 LEU 62 3.139 12.260 1.838 467 HD13 LEU 62 3HD1 LEU 62 2.878 13.006 0.261 468 HD21 LEU 62 3HD2 LEU 62 3.155 11.719 -1.786 469 HD22 LEU 62 1HD2 LEU 62 3.532 9.998 -1.734 470 HD23 LEU 62 2HD2 LEU 62 4.783 11.189 -1.373 471 H GLU 63 H GLU 63 6.143 10.497 3.197 472 HA GLU 63 HA GLU 63 6.493 13.309 2.813 473 HB2 GLU 63 2HB GLU 63 6.979 11.511 5.191 474 HB3 GLU 63 1HB GLU 63 7.188 13.257 5.242 475 HG2 GLU 63 2HG GLU 63 4.608 11.910 4.479 476 HG3 GLU 63 1HG GLU 63 5.006 12.412 6.121 477 H LYS 64 H LYS 64 8.652 10.581 2.931 478 HA LYS 64 HA LYS 64 11.063 11.972 3.430 479 HB2 LYS 64 2HB LYS 64 10.856 9.539 3.662 480 HB3 LYS 64 1HB LYS 64 10.585 9.387 1.932 481 HG2 LYS 64 2HG LYS 64 12.827 10.150 1.474 482 HG3 LYS 64 1HG LYS 64 13.108 10.438 3.192 483 HD2 LYS 64 2HD LYS 64 12.815 8.052 3.642 484 HD3 LYS 64 1HD LYS 64 12.515 7.762 1.926 485 HE2 LYS 64 2HE LYS 64 14.823 7.214 2.589 486 HE3 LYS 64 1HE LYS 64 14.753 8.488 1.376 487 HZ1 LYS 64 3HZ LYS 64 16.343 8.986 3.136 488 HZ2 LYS 64 1HZ LYS 64 15.112 8.922 4.291 489 HZ3 LYS 64 2HZ LYS 64 15.094 10.122 3.104 490 H ASN 65 H ASN 65 9.219 11.329 0.544 491 HA ASN 65 HA ASN 65 10.768 13.306 -0.904 492 HB2 ASN 65 2HB ASN 65 10.780 11.703 -2.934 493 HB3 ASN 65 1HB ASN 65 11.984 11.454 -1.676 494 HD21 ASN 65 1HD2 ASN 65 8.921 10.330 -2.927 495 HD22 ASN 65 2HD2 ASN 65 9.041 8.715 -2.330 496 HA PRO 66 HA PRO 66 6.171 13.362 -1.213 497 HB2 PRO 66 2HB PRO 66 5.773 15.946 -0.642 498 HB3 PRO 66 1HB PRO 66 6.176 14.773 0.612 499 HG2 PRO 66 2HG PRO 66 7.976 16.710 -0.802 500 HG3 PRO 66 1HG PRO 66 7.864 16.353 0.933 501 HD2 PRO 66 2HD PRO 66 9.760 15.259 -0.684 502 HD3 PRO 66 1HD PRO 66 9.117 14.438 0.748 503 H LYS 67 H LYS 67 8.074 13.647 -3.479 504 HA LYS 67 HA LYS 67 6.317 15.287 -5.181 505 HB2 LYS 67 2HB LYS 67 9.298 14.865 -5.446 506 HB3 LYS 67 1HB LYS 67 8.300 15.546 -6.717 507 HG2 LYS 67 2HG LYS 67 9.208 17.409 -5.707 508 HG3 LYS 67 1HG LYS 67 7.617 17.290 -4.956 509 HD2 LYS 67 2HD LYS 67 8.663 16.116 -3.038 510 HD3 LYS 67 1HD LYS 67 10.242 16.376 -3.786 511 HE2 LYS 67 2HE LYS 67 8.312 18.517 -2.914 512 HE3 LYS 67 1HE LYS 67 9.794 18.055 -2.081 513 HZ1 LYS 67 3HZ LYS 67 11.064 18.776 -3.995 514 HZ2 LYS 67 1HZ LYS 67 10.095 20.043 -3.437 515 HZ3 LYS 67 2HZ LYS 67 9.652 19.186 -4.824 516 H ILE 68 H ILE 68 6.510 12.364 -4.317 517 HA ILE 68 HA ILE 68 6.793 11.105 -6.947 518 HB ILE 68 HB ILE 68 6.451 8.965 -5.748 519 HG12 ILE 68 2HG1 ILE 68 6.711 10.566 -3.188 520 HG13 ILE 68 1HG1 ILE 68 5.167 10.029 -3.836 521 HG21 ILE 68 1HG2 ILE 68 8.704 10.731 -4.841 522 HG22 ILE 68 2HG2 ILE 68 8.669 9.655 -6.237 523 HG23 ILE 68 3HG2 ILE 68 8.659 8.982 -4.608 524 HD11 ILE 68 3HD1 ILE 68 7.446 8.236 -3.044 525 HD12 ILE 68 1HD1 ILE 68 5.867 7.722 -3.633 526 HD13 ILE 68 2HD1 ILE 68 6.000 8.557 -2.087 527 H ARG 69 H ARG 69 5.120 9.160 -7.067 528 HA ARG 69 HA ARG 69 2.462 10.075 -6.332 529 HB2 ARG 69 2HB ARG 69 1.555 10.093 -8.519 530 HB3 ARG 69 1HB ARG 69 3.013 11.072 -8.578 531 HG2 ARG 69 2HG ARG 69 4.227 9.276 -9.633 532 HG3 ARG 69 1HG ARG 69 2.831 8.206 -9.477 533 HD2 ARG 69 2HD ARG 69 1.556 9.941 -10.836 534 HD3 ARG 69 1HD ARG 69 3.129 10.650 -11.200 535 HE ARG 69 HE ARG 69 3.546 8.132 -11.927 536 HH11 ARG 69 1HH1 ARG 69 0.865 10.276 -12.586 537 HH12 ARG 69 2HH1 ARG 69 0.425 9.474 -14.061 538 HH21 ARG 69 1HH2 ARG 69 2.966 7.080 -13.880 539 HH22 ARG 69 2HH2 ARG 69 1.615 7.672 -14.796 540 H GLU 70 H GLU 70 4.671 7.561 -6.916 541 HA GLU 70 HA GLU 70 2.856 5.749 -5.695 542 HB2 GLU 70 2HB GLU 70 2.799 4.064 -7.494 543 HB3 GLU 70 1HB GLU 70 1.978 5.565 -7.931 544 HG2 GLU 70 2HG GLU 70 3.811 6.236 -9.312 545 HG3 GLU 70 1HG GLU 70 4.800 4.893 -8.743 546 H VAL 71 H VAL 71 3.856 3.738 -5.071 547 HA VAL 71 HA VAL 71 6.698 3.446 -5.686 548 HB VAL 71 HB VAL 71 7.327 2.969 -3.378 549 HG11 VAL 71 1HG1 VAL 71 7.713 5.209 -4.173 550 HG12 VAL 71 2HG1 VAL 71 7.261 5.250 -2.470 551 HG13 VAL 71 3HG1 VAL 71 6.082 5.686 -3.707 552 HG21 VAL 71 3HG2 VAL 71 4.557 3.879 -2.632 553 HG22 VAL 71 1HG2 VAL 71 5.865 3.523 -1.506 554 HG23 VAL 71 2HG2 VAL 71 5.185 2.237 -2.503 555 H TYR 72 H TYR 72 7.545 1.334 -5.099 556 HA TYR 72 HA TYR 72 5.451 -0.733 -5.284 557 HB2 TYR 72 2HB TYR 72 8.362 -0.930 -6.115 558 HB3 TYR 72 1HB TYR 72 7.118 -2.149 -6.369 559 HD1 TYR 72 2HD TYR 72 8.449 1.073 -7.488 560 HD2 TYR 72 1HD TYR 72 5.480 -1.904 -8.143 561 HE1 TYR 72 2HE TYR 72 7.954 2.060 -9.682 562 HE2 TYR 72 1HE TYR 72 4.982 -0.925 -10.343 563 HH TYR 72 HH TYR 72 5.207 1.287 -11.471 564 H LEU 73 H LEU 73 5.193 -1.985 -3.683 565 HA LEU 73 HA LEU 73 7.179 -1.905 -1.525 566 HB2 LEU 73 2HB LEU 73 5.239 -0.405 -1.216 567 HB3 LEU 73 1HB LEU 73 4.170 -1.778 -1.371 568 HG LEU 73 HG LEU 73 4.974 -2.709 0.661 569 HD11 LEU 73 1HD1 LEU 73 6.595 -1.480 2.081 570 HD12 LEU 73 2HD1 LEU 73 6.887 -0.384 0.730 571 HD13 LEU 73 3HD1 LEU 73 7.296 -2.093 0.586 572 HD21 LEU 73 3HD2 LEU 73 4.186 -1.008 2.223 573 HD22 LEU 73 1HD2 LEU 73 3.187 -1.040 0.770 574 HD23 LEU 73 2HD2 LEU 73 4.392 0.230 0.984 575 H LYS 74 H LYS 74 7.499 -3.800 -0.389 576 HA LYS 74 HA LYS 74 6.079 -6.174 -1.418 577 HB2 LYS 74 2HB LYS 74 8.808 -5.612 -1.507 578 HB3 LYS 74 1HB LYS 74 8.648 -6.696 -0.133 579 HG2 LYS 74 2HG LYS 74 7.125 -7.722 -2.324 580 HG3 LYS 74 1HG LYS 74 8.763 -7.356 -2.863 581 HD2 LYS 74 2HD LYS 74 8.821 -9.587 -2.098 582 HD3 LYS 74 1HD LYS 74 9.569 -8.622 -0.824 583 HE2 LYS 74 2HE LYS 74 7.299 -8.572 0.286 584 HE3 LYS 74 1HE LYS 74 6.799 -9.791 -0.885 585 HZ1 LYS 74 3HZ LYS 74 7.493 -10.832 1.153 586 HZ2 LYS 74 1HZ LYS 74 8.996 -10.055 1.089 587 HZ3 LYS 74 2HZ LYS 74 8.596 -11.214 -0.072 588 HA PRO 75 HA PRO 75 4.724 -6.283 2.786 589 HB2 PRO 75 2HB PRO 75 3.280 -8.570 2.692 590 HB3 PRO 75 1HB PRO 75 2.721 -7.042 2.008 591 HG2 PRO 75 2HG PRO 75 3.830 -9.435 0.647 592 HG3 PRO 75 1HG PRO 75 2.599 -8.289 0.100 593 HD2 PRO 75 2HD PRO 75 5.251 -8.281 -0.716 594 HD3 PRO 75 1HD PRO 75 4.134 -6.914 -0.838 595 H ARG 76 H ARG 76 4.465 -8.089 4.518 596 HA ARG 76 HA ARG 76 7.168 -8.297 5.284 597 HB2 ARG 76 2HB ARG 76 4.803 -9.502 6.691 598 HB3 ARG 76 1HB ARG 76 6.323 -8.984 7.402 599 HG2 ARG 76 2HG ARG 76 5.827 -6.697 7.072 600 HG3 ARG 76 1HG ARG 76 4.458 -7.073 6.026 601 HD2 ARG 76 2HD ARG 76 3.590 -6.407 8.139 602 HD3 ARG 76 1HD ARG 76 3.359 -8.150 7.991 603 HE ARG 76 HE ARG 76 5.766 -7.342 9.381 604 HH11 ARG 76 1HH1 ARG 76 2.420 -8.343 9.614 605 HH12 ARG 76 2HH1 ARG 76 2.509 -8.676 11.316 606 HH21 ARG 76 1HH2 ARG 76 5.895 -7.799 11.610 607 HH22 ARG 76 2HH2 ARG 76 4.491 -8.378 12.454 608 H ALA 77 H ALA 77 4.794 -10.716 4.289 609 HA ALA 77 HA ALA 77 6.355 -12.951 5.078 610 HB1 ALA 77 1HB ALA 77 3.937 -13.096 4.721 611 HB2 ALA 77 2HB ALA 77 4.816 -14.280 3.755 612 HB3 ALA 77 3HB ALA 77 4.179 -12.822 2.996 613 H VAL 78 H VAL 78 8.399 -12.711 4.350 614 HA VAL 78 HA VAL 78 9.209 -12.256 1.702 615 HB VAL 78 HB VAL 78 10.642 -13.902 3.798 616 HG11 VAL 78 1HG1 VAL 78 11.707 -12.477 1.361 617 HG12 VAL 78 2HG1 VAL 78 11.571 -14.222 1.567 618 HG13 VAL 78 3HG1 VAL 78 12.680 -13.300 2.581 619 HG21 VAL 78 3HG2 VAL 78 10.797 -10.949 3.210 620 HG22 VAL 78 1HG2 VAL 78 11.815 -11.824 4.354 621 HG23 VAL 78 2HG2 VAL 78 10.080 -11.690 4.640 622 H LYS 79 H LYS 79 8.124 -15.144 3.333 623 HA LYS 79 HA LYS 79 9.088 -17.051 1.491 624 HB2 LYS 79 2HB LYS 79 8.370 -17.603 3.774 625 HB3 LYS 79 1HB LYS 79 6.710 -17.218 3.347 626 HG2 LYS 79 2HG LYS 79 6.645 -19.057 1.782 627 HG3 LYS 79 1HG LYS 79 8.347 -19.408 2.086 628 HD2 LYS 79 2HD LYS 79 6.944 -20.948 3.324 629 HD3 LYS 79 1HD LYS 79 7.808 -19.889 4.439 630 HE2 LYS 79 2HE LYS 79 5.809 -18.502 4.670 631 HE3 LYS 79 1HE LYS 79 4.947 -19.546 3.542 632 HZ1 LYS 79 3HZ LYS 79 6.048 -20.388 6.166 633 HZ2 LYS 79 1HZ LYS 79 5.194 -21.372 5.093 634 HZ3 LYS 79 2HZ LYS 79 4.423 -20.072 5.842 635 H ASN 80 H ASN 80 6.351 -14.918 1.390 636 HA ASN 80 HA ASN 80 4.739 -16.321 -0.450 637 HB2 ASN 80 2HB ASN 80 4.992 -13.425 0.271 638 HB3 ASN 80 1HB ASN 80 4.012 -13.900 -1.110 639 HD21 ASN 80 1HD2 ASN 80 3.055 -12.594 1.201 640 HD22 ASN 80 2HD2 ASN 80 1.956 -13.676 1.978 641 H SER 81 H SER 81 7.517 -14.290 -0.809 642 HA SER 81 HA SER 81 8.810 -13.584 -2.489 643 HB2 SER 81 2HB SER 81 9.322 -15.137 -4.288 644 HB3 SER 81 1HB SER 81 9.208 -15.991 -2.756 645 HG SER 81 HG SER 81 7.683 -17.163 -3.589 646 H SER 82 H SER 82 6.064 -14.928 -4.324 647 HA SER 82 HA SER 82 6.282 -12.674 -6.150 648 HB2 SER 82 2HB SER 82 4.492 -15.098 -6.370 649 HB3 SER 82 1HB SER 82 4.976 -13.995 -7.662 650 HG SER 82 HG SER 82 6.782 -15.603 -6.167 651 H VAL 83 H VAL 83 5.401 -11.588 -3.954 652 HA VAL 83 HA VAL 83 2.680 -10.855 -4.717 653 HB VAL 83 HB VAL 83 2.425 -12.363 -2.769 654 HG11 VAL 83 1HG1 VAL 83 4.050 -10.309 -1.279 655 HG12 VAL 83 2HG1 VAL 83 4.576 -11.941 -1.689 656 HG13 VAL 83 3HG1 VAL 83 3.233 -11.702 -0.567 657 HG21 VAL 83 3HG2 VAL 83 1.058 -10.863 -1.394 658 HG22 VAL 83 1HG2 VAL 83 0.807 -10.582 -3.117 659 HG23 VAL 83 2HG2 VAL 83 1.804 -9.471 -2.178 660 H GLN 84 H GLN 84 2.425 -8.697 -4.808 661 HA GLN 84 HA GLN 84 4.433 -7.005 -3.511 662 HB2 GLN 84 2HB GLN 84 3.810 -7.040 -6.461 663 HB3 GLN 84 1HB GLN 84 4.636 -5.707 -5.666 664 HG2 GLN 84 2HG GLN 84 6.473 -7.123 -5.067 665 HG3 GLN 84 1HG GLN 84 5.625 -8.549 -5.660 666 HE21 GLN 84 1HE2 GLN 84 4.575 -7.201 -7.988 667 HE22 GLN 84 2HE2 GLN 84 5.896 -7.004 -9.083 668 H PHE 85 H PHE 85 3.696 -5.107 -2.827 669 HA PHE 85 HA PHE 85 0.919 -4.420 -3.454 670 HB2 PHE 85 2HB PHE 85 2.703 -3.793 -1.119 671 HB3 PHE 85 1HB PHE 85 1.300 -2.787 -1.477 672 HD1 PHE 85 1HD PHE 85 2.016 -6.459 -1.342 673 HD2 PHE 85 2HD PHE 85 -0.531 -3.256 -0.185 674 HE1 PHE 85 1HE PHE 85 0.566 -8.048 -0.148 675 HE2 PHE 85 2HE PHE 85 -1.984 -4.837 1.014 676 HZ PHE 85 HZ PHE 85 -1.435 -7.239 1.032 677 H HIS 86 H HIS 86 0.575 -2.867 -4.799 678 HA HIS 86 HA HIS 86 2.758 -0.990 -5.411 679 HB2 HIS 86 2HB HIS 86 2.041 -2.442 -7.279 680 HB3 HIS 86 1HB HIS 86 0.390 -1.869 -7.093 681 HD1 HIS 86 1HD HIS 86 0.198 -0.849 -9.395 682 HD2 HIS 86 2HD HIS 86 3.435 0.618 -7.234 683 HE1 HIS 86 1HE HIS 86 1.081 1.087 -10.730 684 HE2 HIS 86 2HE HIS 86 3.051 1.959 -9.423 685 H VAL 87 H VAL 87 2.413 0.798 -4.169 686 HA VAL 87 HA VAL 87 -0.386 1.596 -3.805 687 HB VAL 87 HB VAL 87 1.084 1.331 -1.762 688 HG11 VAL 87 1HG1 VAL 87 2.538 3.168 -1.151 689 HG12 VAL 87 2HG1 VAL 87 2.289 3.897 -2.738 690 HG13 VAL 87 3HG1 VAL 87 3.109 2.341 -2.601 691 HG21 VAL 87 3HG2 VAL 87 -0.205 4.015 -2.210 692 HG22 VAL 87 1HG2 VAL 87 0.150 3.289 -0.645 693 HG23 VAL 87 2HG2 VAL 87 -1.031 2.539 -1.716 694 H ILE 88 H ILE 88 -1.193 3.202 -4.847 695 HA ILE 88 HA ILE 88 0.635 4.972 -6.309 696 HB ILE 88 HB ILE 88 -2.183 4.149 -7.002 697 HG12 ILE 88 2HG1 ILE 88 0.439 3.460 -8.344 698 HG13 ILE 88 1HG1 ILE 88 -0.450 2.377 -7.272 699 HG21 ILE 88 1HG2 ILE 88 -0.213 5.869 -8.488 700 HG22 ILE 88 2HG2 ILE 88 -1.717 6.399 -7.736 701 HG23 ILE 88 3HG2 ILE 88 -1.759 5.306 -9.121 702 HD11 ILE 88 3HD1 ILE 88 -2.322 2.370 -8.820 703 HD12 ILE 88 1HD1 ILE 88 -0.835 1.841 -9.608 704 HD13 ILE 88 2HD1 ILE 88 -1.451 3.469 -9.889 705 H PHE 89 H PHE 89 0.417 7.088 -6.125 706 HA PHE 89 HA PHE 89 -1.465 8.061 -4.113 707 HB2 PHE 89 2HB PHE 89 1.141 9.173 -5.141 708 HB3 PHE 89 1HB PHE 89 0.093 10.001 -3.996 709 HD1 PHE 89 1HD PHE 89 -0.653 8.563 -1.961 710 HD2 PHE 89 2HD PHE 89 2.820 7.831 -4.303 711 HE1 PHE 89 1HE PHE 89 0.300 7.248 -0.130 712 HE2 PHE 89 2HE PHE 89 3.783 6.517 -2.461 713 HZ PHE 89 HZ PHE 89 2.500 6.228 -0.389 714 H ASP 90 H ASP 90 -3.254 8.909 -5.039 715 HA ASP 90 HA ASP 90 -3.183 10.144 -7.635 716 HB2 ASP 90 2HB ASP 90 -5.341 10.034 -5.519 717 HB3 ASP 90 1HB ASP 90 -5.548 10.821 -7.080 718 H GLU 91 H GLU 91 -2.598 12.162 -8.054 719 HA GLU 91 HA GLU 91 -1.806 13.791 -5.812 720 HB2 GLU 91 2HB GLU 91 -0.836 15.309 -7.512 721 HB3 GLU 91 1HB GLU 91 -0.248 13.661 -7.638 722 HG2 GLU 91 2HG GLU 91 -2.458 14.731 -9.365 723 HG3 GLU 91 1HG GLU 91 -0.755 14.868 -9.795 724 H GLU 92 H GLU 92 -2.881 15.358 -4.954 725 HA GLU 92 HA GLU 92 -4.807 16.925 -6.403 726 HB2 GLU 92 2HB GLU 92 -6.629 16.423 -4.752 727 HB3 GLU 92 1HB GLU 92 -6.249 15.093 -5.834 728 HG2 GLU 92 2HG GLU 92 -4.991 13.987 -4.092 729 HG3 GLU 92 1HG GLU 92 -5.252 15.351 -3.005 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 7.522 -28.350 -23.410 2 H2 GLY 1 2HT GLY 1 6.490 -27.207 -24.106 3 H3 GLY 1 3HT GLY 1 6.117 -27.881 -22.599 4 HA2 GLY 1 1HA GLY 1 8.439 -26.134 -23.189 5 HA3 GLY 1 2HA GLY 1 6.974 -25.637 -22.352 6 H SER 2 H SER 2 8.933 -25.084 -20.864 7 HA SER 2 HA SER 2 8.953 -27.178 -18.829 8 HB2 SER 2 2HB SER 2 11.432 -26.558 -18.432 9 HB3 SER 2 1HB SER 2 11.053 -27.614 -19.793 10 HG SER 2 HG SER 2 12.459 -25.529 -19.990 11 H ALA 3 H ALA 3 10.009 -23.861 -19.573 12 HA ALA 3 HA ALA 3 8.588 -22.890 -17.240 13 HB1 ALA 3 1HB ALA 3 11.563 -22.455 -17.511 14 HB2 ALA 3 2HB ALA 3 10.782 -23.501 -16.324 15 HB3 ALA 3 3HB ALA 3 10.515 -21.758 -16.275 16 H MET 4 H MET 4 7.326 -21.581 -18.448 17 HA MET 4 HA MET 4 8.592 -19.755 -20.359 18 HB2 MET 4 2HB MET 4 5.679 -20.377 -19.840 19 HB3 MET 4 1HB MET 4 6.253 -19.221 -21.033 20 HG2 MET 4 2HG MET 4 7.403 -21.014 -22.221 21 HG3 MET 4 1HG MET 4 6.835 -22.174 -21.021 22 HE1 MET 4 3HE MET 4 4.731 -23.061 -24.222 23 HE2 MET 4 1HE MET 4 5.837 -23.677 -22.995 24 HE3 MET 4 2HE MET 4 6.400 -22.495 -24.178 25 H GLY 5 H GLY 5 7.818 -19.788 -17.159 26 HA2 GLY 5 2HA GLY 5 8.109 -17.952 -15.710 27 HA3 GLY 5 1HA GLY 5 7.802 -16.865 -17.057 28 H HIS 6 H HIS 6 5.901 -19.598 -15.840 29 HA HIS 6 HA HIS 6 3.540 -17.884 -15.844 30 HB2 HIS 6 2HB HIS 6 3.935 -20.859 -15.704 31 HB3 HIS 6 1HB HIS 6 2.387 -20.133 -15.292 32 HD1 HIS 6 1HD HIS 6 3.885 -21.734 -18.004 33 HD2 HIS 6 2HD HIS 6 1.670 -18.235 -17.639 34 HE1 HIS 6 1HE HIS 6 2.978 -21.266 -20.300 35 HE2 HIS 6 2HE HIS 6 1.449 -19.288 -19.990 36 H MET 7 H MET 7 5.477 -17.421 -13.815 37 HA MET 7 HA MET 7 4.242 -18.443 -11.379 38 HB2 MET 7 2HB MET 7 6.659 -16.672 -11.779 39 HB3 MET 7 1HB MET 7 6.080 -17.237 -10.220 40 HG2 MET 7 2HG MET 7 6.805 -19.182 -12.369 41 HG3 MET 7 1HG MET 7 8.050 -18.444 -11.369 42 HE1 MET 7 3HE MET 7 4.338 -19.938 -10.322 43 HE2 MET 7 1HE MET 7 4.943 -21.571 -10.064 44 HE3 MET 7 2HE MET 7 5.085 -20.819 -11.654 45 HA PRO 8 HA PRO 8 1.590 -14.848 -11.743 46 HB2 PRO 8 2HB PRO 8 0.483 -15.881 -9.208 47 HB3 PRO 8 1HB PRO 8 -0.332 -15.548 -10.739 48 HG2 PRO 8 2HG PRO 8 0.116 -18.053 -9.925 49 HG3 PRO 8 1HG PRO 8 0.225 -17.604 -11.635 50 HD2 PRO 8 2HD PRO 8 2.422 -18.052 -9.651 51 HD3 PRO 8 1HD PRO 8 2.323 -18.542 -11.356 52 H ALA 9 H ALA 9 2.912 -13.142 -11.298 53 HA ALA 9 HA ALA 9 3.610 -12.515 -8.553 54 HB1 ALA 9 1HB ALA 9 5.170 -11.934 -10.359 55 HB2 ALA 9 2HB ALA 9 4.626 -10.498 -9.494 56 HB3 ALA 9 3HB ALA 9 3.947 -10.883 -11.074 57 H VAL 10 H VAL 10 2.049 -11.804 -7.280 58 HA VAL 10 HA VAL 10 -0.294 -10.528 -8.463 59 HB VAL 10 HB VAL 10 0.163 -11.560 -5.657 60 HG11 VAL 10 1HG1 VAL 10 -2.375 -10.549 -6.938 61 HG12 VAL 10 2HG1 VAL 10 -1.450 -9.721 -5.688 62 HG13 VAL 10 3HG1 VAL 10 -2.237 -11.258 -5.329 63 HG21 VAL 10 3HG2 VAL 10 -1.368 -13.358 -6.309 64 HG22 VAL 10 1HG2 VAL 10 0.080 -13.339 -7.316 65 HG23 VAL 10 2HG2 VAL 10 -1.440 -12.700 -7.945 66 H ASP 11 H ASP 11 -0.658 -8.422 -8.344 67 HA ASP 11 HA ASP 11 0.708 -6.896 -6.235 68 HB2 ASP 11 2HB ASP 11 0.921 -4.990 -7.723 69 HB3 ASP 11 1HB ASP 11 1.692 -6.391 -8.451 70 H VAL 12 H VAL 12 -0.625 -6.012 -4.859 71 HA VAL 12 HA VAL 12 -3.434 -5.625 -5.621 72 HB VAL 12 HB VAL 12 -2.158 -5.538 -2.876 73 HG11 VAL 12 1HG1 VAL 12 -4.450 -5.605 -2.027 74 HG12 VAL 12 2HG1 VAL 12 -5.065 -5.532 -3.678 75 HG13 VAL 12 3HG1 VAL 12 -4.170 -4.167 -3.011 76 HG21 VAL 12 3HG2 VAL 12 -3.804 -7.701 -4.186 77 HG22 VAL 12 1HG2 VAL 12 -3.242 -7.704 -2.513 78 HG23 VAL 12 2HG2 VAL 12 -2.077 -7.775 -3.836 79 H GLU 13 H GLU 13 -4.180 -3.600 -6.021 80 HA GLU 13 HA GLU 13 -2.226 -1.457 -5.735 81 HB2 GLU 13 2HB GLU 13 -4.764 -1.597 -7.368 82 HB3 GLU 13 1HB GLU 13 -3.677 -0.216 -7.320 83 HG2 GLU 13 2HG GLU 13 -1.880 -1.653 -8.219 84 HG3 GLU 13 1HG GLU 13 -3.044 -2.971 -8.354 85 H ILE 14 H ILE 14 -2.365 -0.333 -3.960 86 HA ILE 14 HA ILE 14 -5.011 0.275 -2.857 87 HB ILE 14 HB ILE 14 -2.364 0.917 -1.536 88 HG12 ILE 14 2HG1 ILE 14 -3.989 -1.619 -1.176 89 HG13 ILE 14 1HG1 ILE 14 -2.466 -1.525 -2.053 90 HG21 ILE 14 1HG2 ILE 14 -3.718 0.859 0.509 91 HG22 ILE 14 2HG2 ILE 14 -5.148 0.491 -0.454 92 HG23 ILE 14 3HG2 ILE 14 -4.326 2.040 -0.650 93 HD11 ILE 14 3HD1 ILE 14 -2.139 -2.416 0.177 94 HD12 ILE 14 1HD1 ILE 14 -2.861 -0.971 0.882 95 HD13 ILE 14 2HD1 ILE 14 -1.333 -0.857 0.009 96 H HIS 15 H HIS 15 -5.637 2.514 -2.600 97 HA HIS 15 HA HIS 15 -3.884 4.340 -4.097 98 HB2 HIS 15 2HB HIS 15 -6.851 3.946 -4.268 99 HB3 HIS 15 1HB HIS 15 -6.141 5.505 -4.671 100 HD1 HIS 15 1HD HIS 15 -6.687 2.115 -6.003 101 HD2 HIS 15 2HD HIS 15 -4.383 5.447 -6.928 102 HE1 HIS 15 1HE HIS 15 -5.819 1.711 -8.328 103 HE2 HIS 15 2HE HIS 15 -4.580 3.822 -8.928 104 H PHE 16 H PHE 16 -3.043 5.759 -2.809 105 HA PHE 16 HA PHE 16 -4.627 6.738 -0.531 106 HB2 PHE 16 2HB PHE 16 -1.634 6.575 -0.919 107 HB3 PHE 16 1HB PHE 16 -2.399 7.410 0.418 108 HD1 PHE 16 1HD PHE 16 -4.624 5.359 0.881 109 HD2 PHE 16 2HD PHE 16 -0.427 5.001 0.307 110 HE1 PHE 16 1HE PHE 16 -4.623 3.280 2.195 111 HE2 PHE 16 2HE PHE 16 -0.419 2.921 1.612 112 HZ PHE 16 HZ PHE 16 -2.513 2.063 2.557 113 HA PRO 17 HA PRO 17 -4.729 10.609 -2.856 114 HB2 PRO 17 2HB PRO 17 -5.756 11.519 -0.230 115 HB3 PRO 17 1HB PRO 17 -6.452 11.730 -1.838 116 HG2 PRO 17 2HG PRO 17 -7.506 9.999 -0.106 117 HG3 PRO 17 1HG PRO 17 -7.421 9.624 -1.838 118 HD2 PRO 17 2HD PRO 17 -5.712 8.639 0.408 119 HD3 PRO 17 1HD PRO 17 -6.315 7.770 -1.019 120 H LEU 18 H LEU 18 -3.121 11.931 -3.038 121 HA LEU 18 HA LEU 18 -0.756 11.781 -1.663 122 HB2 LEU 18 2HB LEU 18 -1.392 12.850 -3.938 123 HB3 LEU 18 1HB LEU 18 -1.652 14.310 -3.018 124 HG LEU 18 HG LEU 18 0.518 14.336 -4.108 125 HD11 LEU 18 1HD1 LEU 18 0.810 14.037 -1.129 126 HD12 LEU 18 2HD1 LEU 18 0.347 15.506 -1.986 127 HD13 LEU 18 3HD1 LEU 18 1.959 14.826 -2.211 128 HD21 LEU 18 3HD2 LEU 18 2.283 12.772 -3.459 129 HD22 LEU 18 1HD2 LEU 18 0.933 11.969 -4.260 130 HD23 LEU 18 2HD2 LEU 18 1.110 11.860 -2.509 131 H LYS 19 H LYS 19 -3.361 14.153 -1.168 132 HA LYS 19 HA LYS 19 -1.847 15.542 0.825 133 HB2 LYS 19 2HB LYS 19 -4.072 16.732 1.230 134 HB3 LYS 19 1HB LYS 19 -3.242 16.994 -0.290 135 HG2 LYS 19 2HG LYS 19 -4.789 15.500 -1.414 136 HG3 LYS 19 1HG LYS 19 -5.581 15.136 0.126 137 HD2 LYS 19 2HD LYS 19 -6.344 17.386 0.355 138 HD3 LYS 19 1HD LYS 19 -5.337 17.921 -0.983 139 HE2 LYS 19 2HE LYS 19 -7.698 17.777 -1.590 140 HE3 LYS 19 1HE LYS 19 -6.668 16.727 -2.547 141 HZ1 LYS 19 3HZ LYS 19 -8.846 15.783 -1.713 142 HZ2 LYS 19 1HZ LYS 19 -8.131 15.725 -0.185 143 HZ3 LYS 19 2HZ LYS 19 -7.472 14.831 -1.470 144 H ARG 20 H ARG 20 -3.931 12.823 0.941 145 HA ARG 20 HA ARG 20 -4.557 13.281 3.755 146 HB2 ARG 20 2HB ARG 20 -5.290 10.882 2.071 147 HB3 ARG 20 1HB ARG 20 -5.934 11.300 3.653 148 HG2 ARG 20 2HG ARG 20 -6.387 12.754 1.069 149 HG3 ARG 20 1HG ARG 20 -7.552 11.830 2.018 150 HD2 ARG 20 2HD ARG 20 -6.186 14.378 2.871 151 HD3 ARG 20 1HD ARG 20 -7.848 14.213 2.323 152 HE ARG 20 HE ARG 20 -8.089 12.664 4.331 153 HH11 ARG 20 1HH1 ARG 20 -5.909 15.416 4.265 154 HH12 ARG 20 2HH1 ARG 20 -6.048 15.729 5.964 155 HH21 ARG 20 1HH2 ARG 20 -8.261 13.084 6.574 156 HH22 ARG 20 2HH2 ARG 20 -7.371 14.398 7.277 157 H ILE 21 H ILE 21 -2.581 11.141 1.754 158 HA ILE 21 HA ILE 21 -1.789 9.466 3.941 159 HB ILE 21 HB ILE 21 -1.750 8.751 1.566 160 HG12 ILE 21 2HG1 ILE 21 0.272 7.419 1.715 161 HG13 ILE 21 1HG1 ILE 21 0.961 8.536 2.888 162 HG21 ILE 21 1HG2 ILE 21 0.203 9.374 0.172 163 HG22 ILE 21 2HG2 ILE 21 0.634 10.577 1.387 164 HG23 ILE 21 3HG2 ILE 21 -0.884 10.724 0.503 165 HD11 ILE 21 3HD1 ILE 21 0.119 6.434 3.866 166 HD12 ILE 21 1HD1 ILE 21 -1.505 6.874 3.341 167 HD13 ILE 21 2HD1 ILE 21 -0.660 7.870 4.524 168 H ALA 22 H ALA 22 -0.938 12.567 2.886 169 HA ALA 22 HA ALA 22 1.654 12.584 4.213 170 HB1 ALA 22 1HB ALA 22 0.162 14.797 2.804 171 HB2 ALA 22 2HB ALA 22 1.410 13.778 2.088 172 HB3 ALA 22 3HB ALA 22 1.819 14.881 3.401 173 H ALA 23 H ALA 23 -1.445 12.706 5.191 174 HA ALA 23 HA ALA 23 -1.100 14.844 7.161 175 HB1 ALA 23 1HB ALA 23 -3.544 13.215 6.461 176 HB2 ALA 23 2HB ALA 23 -3.185 14.842 5.884 177 HB3 ALA 23 3HB ALA 23 -3.491 14.562 7.599 178 H GLU 24 H GLU 24 -1.535 14.440 9.387 179 HA GLU 24 HA GLU 24 -0.454 11.881 10.227 180 HB2 GLU 24 2HB GLU 24 0.347 14.095 11.133 181 HB3 GLU 24 1HB GLU 24 -1.204 14.250 11.945 182 HG2 GLU 24 2HG GLU 24 -0.760 12.265 13.246 183 HG3 GLU 24 1HG GLU 24 0.753 12.007 12.382 184 H GLY 25 H GLY 25 -3.469 13.556 10.121 185 HA2 GLY 25 2HA GLY 25 -4.773 11.650 11.905 186 HA3 GLY 25 1HA GLY 25 -5.527 13.035 11.129 187 H TYR 26 H TYR 26 -3.570 11.072 9.174 188 HA TYR 26 HA TYR 26 -5.586 10.495 7.326 189 HB2 TYR 26 2HB TYR 26 -3.935 9.175 6.166 190 HB3 TYR 26 1HB TYR 26 -3.169 10.620 6.806 191 HD1 TYR 26 1HD TYR 26 -2.900 9.542 9.721 192 HD2 TYR 26 2HD TYR 26 -1.964 7.900 5.916 193 HE1 TYR 26 1HE TYR 26 -1.159 8.162 10.756 194 HE2 TYR 26 2HE TYR 26 -0.225 6.513 6.944 195 HH TYR 26 HH TYR 26 0.028 6.009 10.243 196 H ALA 27 H ALA 27 -4.642 8.828 10.191 197 HA ALA 27 HA ALA 27 -5.508 6.222 9.489 198 HB1 ALA 27 1HB ALA 27 -5.283 7.476 12.224 199 HB2 ALA 27 2HB ALA 27 -3.983 6.659 11.356 200 HB3 ALA 27 3HB ALA 27 -5.403 5.750 11.874 201 H GLU 28 H GLU 28 -7.172 9.076 10.123 202 HA GLU 28 HA GLU 28 -9.665 7.597 10.639 203 HB2 GLU 28 2HB GLU 28 -9.014 10.466 11.343 204 HB3 GLU 28 1HB GLU 28 -10.506 9.616 11.723 205 HG2 GLU 28 2HG GLU 28 -9.318 8.106 13.186 206 HG3 GLU 28 1HG GLU 28 -7.784 8.858 12.753 207 H ASP 29 H ASP 29 -8.049 8.691 8.175 208 HA ASP 29 HA ASP 29 -9.991 10.465 6.974 209 HB2 ASP 29 2HB ASP 29 -7.688 10.910 6.449 210 HB3 ASP 29 1HB ASP 29 -7.443 9.250 5.907 211 H GLU 30 H GLU 30 -11.671 9.846 5.851 212 HA GLU 30 HA GLU 30 -12.412 7.147 5.798 213 HB2 GLU 30 2HB GLU 30 -13.947 9.172 5.829 214 HB3 GLU 30 1HB GLU 30 -13.652 9.303 4.099 215 HG2 GLU 30 2HG GLU 30 -14.422 6.881 3.954 216 HG3 GLU 30 1HG GLU 30 -15.024 7.102 5.594 217 H LEU 31 H LEU 31 -10.915 9.208 3.377 218 HA LEU 31 HA LEU 31 -11.393 7.587 1.137 219 HB2 LEU 31 2HB LEU 31 -9.603 9.802 1.899 220 HB3 LEU 31 1HB LEU 31 -9.004 8.773 0.615 221 HG LEU 31 HG LEU 31 -11.695 10.156 0.569 222 HD11 LEU 31 1HD1 LEU 31 -10.712 11.759 -0.945 223 HD12 LEU 31 2HD1 LEU 31 -9.144 10.962 -0.817 224 HD13 LEU 31 3HD1 LEU 31 -9.837 11.774 0.587 225 HD21 LEU 31 3HD2 LEU 31 -11.727 9.577 -1.760 226 HD22 LEU 31 1HD2 LEU 31 -11.470 8.115 -0.811 227 HD23 LEU 31 2HD2 LEU 31 -10.116 8.871 -1.648 228 H LEU 32 H LEU 32 -8.760 7.798 3.462 229 HA LEU 32 HA LEU 32 -7.077 5.921 2.218 230 HB2 LEU 32 2HB LEU 32 -6.875 7.765 4.146 231 HB3 LEU 32 1HB LEU 32 -7.039 6.340 5.152 232 HG LEU 32 HG LEU 32 -5.131 5.456 3.567 233 HD11 LEU 32 1HD1 LEU 32 -3.557 7.239 2.997 234 HD12 LEU 32 2HD1 LEU 32 -4.742 8.436 3.519 235 HD13 LEU 32 3HD1 LEU 32 -5.084 7.403 2.132 236 HD21 LEU 32 3HD2 LEU 32 -3.493 6.223 5.229 237 HD22 LEU 32 1HD2 LEU 32 -4.962 5.592 5.972 238 HD23 LEU 32 2HD2 LEU 32 -4.701 7.332 5.875 239 H LEU 33 H LEU 33 -9.531 5.797 4.696 240 HA LEU 33 HA LEU 33 -9.286 3.076 5.394 241 HB2 LEU 33 2HB LEU 33 -10.974 5.296 6.020 242 HB3 LEU 33 1HB LEU 33 -11.939 3.858 5.759 243 HG LEU 33 HG LEU 33 -11.392 4.108 8.113 244 HD11 LEU 33 1HD1 LEU 33 -9.853 1.836 6.875 245 HD12 LEU 33 2HD1 LEU 33 -11.583 1.845 7.214 246 HD13 LEU 33 3HD1 LEU 33 -10.424 1.923 8.540 247 HD21 LEU 33 3HD2 LEU 33 -9.079 3.969 8.898 248 HD22 LEU 33 1HD2 LEU 33 -9.344 5.394 7.894 249 HD23 LEU 33 2HD2 LEU 33 -8.515 3.987 7.227 250 H ASN 34 H ASN 34 -11.312 4.771 3.031 251 HA ASN 34 HA ASN 34 -12.943 2.542 2.407 252 HB2 ASN 34 2HB ASN 34 -12.333 5.054 0.848 253 HB3 ASN 34 1HB ASN 34 -13.464 3.831 0.286 254 HD21 ASN 34 1HD2 ASN 34 -14.005 6.574 0.881 255 HD22 ASN 34 2HD2 ASN 34 -15.171 6.604 2.160 256 H GLN 35 H GLN 35 -10.068 3.884 0.812 257 HA GLN 35 HA GLN 35 -10.146 1.996 -1.328 258 HB2 GLN 35 2HB GLN 35 -7.999 3.828 -0.289 259 HB3 GLN 35 1HB GLN 35 -7.647 2.654 -1.546 260 HG2 GLN 35 2HG GLN 35 -8.071 4.578 -2.737 261 HG3 GLN 35 1HG GLN 35 -9.614 3.740 -2.802 262 HE21 GLN 35 1HE2 GLN 35 -7.845 6.318 -1.247 263 HE22 GLN 35 2HE2 GLN 35 -9.222 7.216 -0.775 264 H MET 36 H MET 36 -8.265 2.184 1.688 265 HA MET 36 HA MET 36 -6.882 -0.229 1.170 266 HB2 MET 36 2HB MET 36 -6.106 1.499 2.814 267 HB3 MET 36 1HB MET 36 -7.392 0.969 3.894 268 HG2 MET 36 2HG MET 36 -5.152 -0.029 4.365 269 HG3 MET 36 1HG MET 36 -6.442 -1.204 4.093 270 HE1 MET 36 3HE MET 36 -4.948 -3.107 3.737 271 HE2 MET 36 1HE MET 36 -3.359 -2.347 3.758 272 HE3 MET 36 2HE MET 36 -3.837 -3.348 2.390 273 H GLY 37 H GLY 37 -9.778 0.571 3.041 274 HA2 GLY 37 2HA GLY 37 -10.358 -1.932 4.098 275 HA3 GLY 37 1HA GLY 37 -11.559 -0.722 3.680 276 H LYS 38 H LYS 38 -11.002 -0.672 0.874 277 HA LYS 38 HA LYS 38 -12.535 -2.803 -0.113 278 HB2 LYS 38 2HB LYS 38 -10.612 -0.907 -1.432 279 HB3 LYS 38 1HB LYS 38 -11.496 -2.119 -2.351 280 HG2 LYS 38 2HG LYS 38 -12.708 0.105 -0.717 281 HG3 LYS 38 1HG LYS 38 -12.595 0.040 -2.477 282 HD2 LYS 38 2HD LYS 38 -13.989 -1.992 -2.465 283 HD3 LYS 38 1HD LYS 38 -14.139 -1.859 -0.713 284 HE2 LYS 38 2HE LYS 38 -15.170 0.372 -1.020 285 HE3 LYS 38 1HE LYS 38 -15.109 0.125 -2.764 286 HZ1 LYS 38 3HZ LYS 38 -16.515 -1.836 -2.477 287 HZ2 LYS 38 1HZ LYS 38 -17.276 -0.435 -1.909 288 HZ3 LYS 38 2HZ LYS 38 -16.606 -1.538 -0.817 289 H VAL 39 H VAL 39 -9.013 -2.287 -0.143 290 HA VAL 39 HA VAL 39 -8.704 -5.130 -0.884 291 HB VAL 39 HB VAL 39 -6.338 -4.512 -1.433 292 HG11 VAL 39 1HG1 VAL 39 -8.498 -2.994 -2.896 293 HG12 VAL 39 2HG1 VAL 39 -8.046 -4.677 -3.165 294 HG13 VAL 39 3HG1 VAL 39 -6.901 -3.388 -3.536 295 HG21 VAL 39 3HG2 VAL 39 -6.088 -2.533 -0.064 296 HG22 VAL 39 1HG2 VAL 39 -7.364 -1.711 -0.964 297 HG23 VAL 39 2HG2 VAL 39 -5.841 -2.110 -1.758 298 H ASN 40 H ASN 40 -9.420 -4.758 1.727 299 HA ASN 40 HA ASN 40 -6.899 -4.850 3.262 300 HB2 ASN 40 2HB ASN 40 -8.618 -2.911 3.556 301 HB3 ASN 40 1HB ASN 40 -9.543 -4.104 4.462 302 HD21 ASN 40 1HD2 ASN 40 -7.220 -5.436 5.561 303 HD22 ASN 40 2HD2 ASN 40 -6.583 -4.371 6.766 304 H ASP 41 H ASP 41 -10.042 -6.298 2.774 305 HA ASP 41 HA ASP 41 -9.863 -7.880 5.189 306 HB2 ASP 41 2HB ASP 41 -12.030 -6.977 4.454 307 HB3 ASP 41 1HB ASP 41 -11.918 -7.904 2.962 308 H THR 42 H THR 42 -9.341 -8.245 1.785 309 HA THR 42 HA THR 42 -8.362 -10.966 2.288 310 HB THR 42 HB THR 42 -8.945 -11.309 -0.231 311 HG1 THR 42 1HG THR 42 -11.104 -10.061 -0.461 312 HG21 THR 42 3HG2 THR 42 -11.169 -12.151 0.382 313 HG22 THR 42 1HG2 THR 42 -11.090 -11.250 1.896 314 HG23 THR 42 2HG2 THR 42 -9.959 -12.571 1.595 315 HA PRO 43 HA PRO 43 -5.014 -8.557 0.207 316 HB2 PRO 43 2HB PRO 43 -3.351 -8.070 2.226 317 HB3 PRO 43 1HB PRO 43 -4.780 -7.061 1.974 318 HG2 PRO 43 2HG PRO 43 -4.308 -9.203 3.989 319 HG3 PRO 43 1HG PRO 43 -5.224 -7.698 4.140 320 HD2 PRO 43 2HD PRO 43 -6.282 -10.255 3.626 321 HD3 PRO 43 1HD PRO 43 -7.143 -8.713 3.483 322 H GLU 44 H GLU 44 -5.547 -11.428 1.591 323 HA GLU 44 HA GLU 44 -4.647 -13.485 1.369 324 HB2 GLU 44 2HB GLU 44 -3.778 -12.752 -0.816 325 HB3 GLU 44 1HB GLU 44 -2.340 -12.123 -0.028 326 HG2 GLU 44 2HG GLU 44 -1.879 -14.259 -1.052 327 HG3 GLU 44 1HG GLU 44 -1.755 -14.379 0.701 328 H GLU 45 H GLU 45 -2.199 -11.068 2.236 329 HA GLU 45 HA GLU 45 -0.642 -12.825 3.797 330 HB2 GLU 45 2HB GLU 45 -0.824 -9.812 3.955 331 HB3 GLU 45 1HB GLU 45 0.427 -10.794 4.701 332 HG2 GLU 45 2HG GLU 45 -0.052 -10.225 1.812 333 HG3 GLU 45 1HG GLU 45 1.416 -10.021 2.766 334 H GLU 46 H GLU 46 -2.293 -10.011 5.193 335 HA GLU 46 HA GLU 46 -2.981 -11.699 7.500 336 HB2 GLU 46 2HB GLU 46 -1.837 -8.905 7.601 337 HB3 GLU 46 1HB GLU 46 -2.297 -9.880 8.985 338 HG2 GLU 46 2HG GLU 46 -0.546 -11.472 8.490 339 HG3 GLU 46 1HG GLU 46 -0.131 -10.592 7.019 340 H GLY 47 H GLY 47 -3.394 -8.305 6.575 341 HA2 GLY 47 2HA GLY 47 -5.786 -7.747 5.878 342 HA3 GLY 47 1HA GLY 47 -6.195 -8.496 7.408 343 H MET 48 H MET 48 -5.818 -7.418 9.308 344 HA MET 48 HA MET 48 -5.987 -4.630 9.168 345 HB2 MET 48 2HB MET 48 -7.003 -6.033 10.939 346 HB3 MET 48 1HB MET 48 -5.394 -6.276 11.609 347 HG2 MET 48 2HG MET 48 -5.475 -3.578 11.478 348 HG3 MET 48 1HG MET 48 -7.176 -3.945 11.760 349 HE1 MET 48 3HE MET 48 -3.863 -5.756 12.995 350 HE2 MET 48 1HE MET 48 -3.688 -4.997 14.579 351 HE3 MET 48 2HE MET 48 -3.554 -4.020 13.115 352 HA PRO 49 HA PRO 49 -1.572 -4.387 10.975 353 HB2 PRO 49 2HB PRO 49 -0.132 -6.821 10.381 354 HB3 PRO 49 1HB PRO 49 -0.577 -6.188 11.968 355 HG2 PRO 49 2HG PRO 49 -1.628 -8.484 10.917 356 HG3 PRO 49 1HG PRO 49 -2.486 -7.459 12.081 357 HD2 PRO 49 2HD PRO 49 -2.735 -7.526 9.090 358 HD3 PRO 49 1HD PRO 49 -4.016 -7.505 10.289 359 H LEU 50 H LEU 50 -2.114 -6.299 8.214 360 HA LEU 50 HA LEU 50 -0.089 -5.619 6.452 361 HB2 LEU 50 2HB LEU 50 -1.934 -7.329 6.373 362 HB3 LEU 50 1HB LEU 50 -3.027 -6.050 5.913 363 HG LEU 50 HG LEU 50 -2.357 -7.469 4.084 364 HD11 LEU 50 1HD1 LEU 50 -1.324 -4.647 3.839 365 HD12 LEU 50 2HD1 LEU 50 -2.986 -5.179 3.580 366 HD13 LEU 50 3HD1 LEU 50 -1.708 -5.711 2.485 367 HD21 LEU 50 3HD2 LEU 50 0.407 -6.349 4.399 368 HD22 LEU 50 1HD2 LEU 50 -0.131 -7.542 3.224 369 HD23 LEU 50 2HD2 LEU 50 -0.072 -7.957 4.939 370 H ARG 51 H ARG 51 -3.246 -4.129 7.069 371 HA ARG 51 HA ARG 51 -2.956 -1.853 5.467 372 HB2 ARG 51 2HB ARG 51 -5.103 -2.308 6.236 373 HB3 ARG 51 1HB ARG 51 -4.584 -2.503 7.903 374 HG2 ARG 51 2HG ARG 51 -3.964 0.064 7.574 375 HG3 ARG 51 1HG ARG 51 -5.255 -0.056 6.379 376 HD2 ARG 51 2HD ARG 51 -5.418 -0.707 9.315 377 HD3 ARG 51 1HD ARG 51 -6.200 0.632 8.477 378 HE ARG 51 HE ARG 51 -7.173 -1.569 7.213 379 HH11 ARG 51 1HH1 ARG 51 -7.027 -0.534 10.560 380 HH12 ARG 51 2HH1 ARG 51 -8.459 -1.405 11.017 381 HH21 ARG 51 1HH2 ARG 51 -9.051 -2.712 7.820 382 HH22 ARG 51 2HH2 ARG 51 -9.608 -2.640 9.461 383 H ALA 52 H ALA 52 -2.280 -2.338 8.900 384 HA ALA 52 HA ALA 52 -1.544 0.264 9.502 385 HB1 ALA 52 1HB ALA 52 -0.501 -2.262 10.784 386 HB2 ALA 52 2HB ALA 52 -2.032 -1.479 11.178 387 HB3 ALA 52 3HB ALA 52 -0.507 -0.648 11.494 388 H TRP 53 H TRP 53 0.560 -2.482 8.515 389 HA TRP 53 HA TRP 53 2.893 -0.849 8.655 390 HB2 TRP 53 2HB TRP 53 4.145 -2.707 8.079 391 HB3 TRP 53 1HB TRP 53 2.730 -3.441 8.800 392 HD1 TRP 53 HD TRP 53 1.589 -5.291 7.455 393 HE1 TRP 53 1HE TRP 53 1.805 -6.220 5.058 394 HE3 TRP 53 3HE TRP 53 4.738 -1.777 5.476 395 HZ2 TRP 53 2HZ TRP 53 3.091 -5.546 2.668 396 HZ3 TRP 53 3HZ TRP 53 5.411 -2.002 3.125 397 HH2 TRP 53 HH TRP 53 4.609 -3.853 1.752 398 H VAL 54 H VAL 54 0.700 -1.771 6.060 399 HA VAL 54 HA VAL 54 2.397 -0.845 3.985 400 HB VAL 54 HB VAL 54 0.326 -2.469 3.910 401 HG11 VAL 54 1HG1 VAL 54 -1.645 -1.436 2.891 402 HG12 VAL 54 2HG1 VAL 54 -0.942 0.156 3.174 403 HG13 VAL 54 3HG1 VAL 54 -1.368 -0.874 4.539 404 HG21 VAL 54 3HG2 VAL 54 1.059 -0.594 1.666 405 HG22 VAL 54 1HG2 VAL 54 0.202 -2.125 1.478 406 HG23 VAL 54 2HG2 VAL 54 1.861 -2.110 2.078 407 H ILE 55 H ILE 55 -0.375 0.601 5.682 408 HA ILE 55 HA ILE 55 -0.262 3.078 4.324 409 HB ILE 55 HB ILE 55 -1.335 2.347 7.044 410 HG12 ILE 55 2HG1 ILE 55 -2.683 2.848 4.387 411 HG13 ILE 55 1HG1 ILE 55 -2.448 1.278 5.152 412 HG21 ILE 55 1HG2 ILE 55 -2.587 4.471 6.935 413 HG22 ILE 55 2HG2 ILE 55 -1.621 4.938 5.529 414 HG23 ILE 55 3HG2 ILE 55 -0.846 4.689 7.096 415 HD11 ILE 55 3HD1 ILE 55 -4.714 2.040 5.453 416 HD12 ILE 55 1HD1 ILE 55 -4.141 3.537 6.188 417 HD13 ILE 55 2HD1 ILE 55 -3.878 1.997 7.007 418 H LYS 56 H LYS 56 1.267 1.924 7.304 419 HA LYS 56 HA LYS 56 2.405 4.352 8.127 420 HB2 LYS 56 2HB LYS 56 2.249 2.404 9.583 421 HB3 LYS 56 1HB LYS 56 3.347 1.509 8.548 422 HG2 LYS 56 2HG LYS 56 4.399 2.335 10.612 423 HG3 LYS 56 1HG LYS 56 5.173 2.944 9.149 424 HD2 LYS 56 2HD LYS 56 4.194 5.081 9.410 425 HD3 LYS 56 1HD LYS 56 3.074 4.497 10.641 426 HE2 LYS 56 2HE LYS 56 5.039 5.840 11.479 427 HE3 LYS 56 1HE LYS 56 4.791 4.268 12.238 428 HZ1 LYS 56 3HZ LYS 56 6.709 4.749 10.014 429 HZ2 LYS 56 1HZ LYS 56 6.546 3.343 10.946 430 HZ3 LYS 56 2HZ LYS 56 7.129 4.761 11.656 431 H CYS 57 H CYS 57 3.794 1.704 6.200 432 HA CYS 57 HA CYS 57 6.298 2.928 5.791 433 HB2 CYS 57 2HB CYS 57 5.850 0.507 5.461 434 HB3 CYS 57 1HB CYS 57 4.905 0.899 4.028 435 HG CYS 57 HG CYS 57 7.502 2.348 3.205 436 H ALA 58 H ALA 58 3.302 2.961 3.900 437 HA ALA 58 HA ALA 58 4.320 4.429 1.713 438 HB1 ALA 58 1HB ALA 58 1.990 4.875 1.152 439 HB2 ALA 58 2HB ALA 58 1.489 4.308 2.743 440 HB3 ALA 58 3HB ALA 58 2.220 3.184 1.597 441 H HIS 59 H HIS 59 2.887 5.388 4.784 442 HA HIS 59 HA HIS 59 2.547 8.116 4.318 443 HB2 HIS 59 2HB HIS 59 1.775 6.815 6.342 444 HB3 HIS 59 1HB HIS 59 3.427 6.885 6.939 445 HD1 HIS 59 1HD HIS 59 1.454 8.105 8.753 446 HD2 HIS 59 2HD HIS 59 3.135 10.254 5.626 447 HE1 HIS 59 1HE HIS 59 1.089 10.527 9.324 448 HE2 HIS 59 2HE HIS 59 2.239 11.812 7.494 449 H GLU 60 H GLU 60 5.329 6.496 5.869 450 HA GLU 60 HA GLU 60 6.833 8.907 5.940 451 HB2 GLU 60 2HB GLU 60 8.758 7.360 6.527 452 HB3 GLU 60 1HB GLU 60 7.377 7.370 7.611 453 HG2 GLU 60 2HG GLU 60 6.551 5.324 6.487 454 HG3 GLU 60 1HG GLU 60 8.049 5.284 5.554 455 H ALA 61 H ALA 61 6.660 6.253 3.633 456 HA ALA 61 HA ALA 61 8.911 6.960 2.087 457 HB1 ALA 61 1HB ALA 61 7.883 5.680 0.289 458 HB2 ALA 61 2HB ALA 61 6.339 5.690 1.140 459 HB3 ALA 61 3HB ALA 61 7.717 4.827 1.823 460 H LEU 62 H LEU 62 5.520 7.954 1.910 461 HA LEU 62 HA LEU 62 5.799 9.581 -0.386 462 HB2 LEU 62 2HB LEU 62 3.673 8.641 0.411 463 HB3 LEU 62 1HB LEU 62 3.740 9.671 1.824 464 HG LEU 62 HG LEU 62 2.145 10.361 -0.006 465 HD11 LEU 62 1HD1 LEU 62 2.811 11.935 1.712 466 HD12 LEU 62 2HD1 LEU 62 2.650 12.744 0.154 467 HD13 LEU 62 3HD1 LEU 62 4.252 12.362 0.787 468 HD21 LEU 62 3HD2 LEU 62 3.076 11.552 -1.918 469 HD22 LEU 62 1HD2 LEU 62 3.532 9.849 -1.913 470 HD23 LEU 62 2HD2 LEU 62 4.701 11.077 -1.423 471 H GLU 63 H GLU 63 5.781 10.347 3.089 472 HA GLU 63 HA GLU 63 6.023 13.147 2.710 473 HB2 GLU 63 2HB GLU 63 6.425 11.320 5.060 474 HB3 GLU 63 1HB GLU 63 6.793 13.036 5.178 475 HG2 GLU 63 2HG GLU 63 4.127 12.017 4.252 476 HG3 GLU 63 1HG GLU 63 4.500 12.304 5.951 477 H LYS 64 H LYS 64 8.385 10.574 2.868 478 HA LYS 64 HA LYS 64 10.654 12.164 3.399 479 HB2 LYS 64 2HB LYS 64 10.671 9.701 3.531 480 HB3 LYS 64 1HB LYS 64 10.476 9.612 1.787 481 HG2 LYS 64 2HG LYS 64 12.790 9.218 2.495 482 HG3 LYS 64 1HG LYS 64 12.638 10.631 1.450 483 HD2 LYS 64 2HD LYS 64 14.148 11.070 3.323 484 HD3 LYS 64 1HD LYS 64 12.716 12.096 3.405 485 HE2 LYS 64 2HE LYS 64 11.729 10.561 5.050 486 HE3 LYS 64 1HE LYS 64 13.179 9.561 4.976 487 HZ1 LYS 64 3HZ LYS 64 13.208 11.048 6.879 488 HZ2 LYS 64 1HZ LYS 64 13.080 12.393 5.861 489 HZ3 LYS 64 2HZ LYS 64 14.465 11.423 5.810 490 H ASN 65 H ASN 65 9.086 11.193 0.395 491 HA ASN 65 HA ASN 65 10.333 13.491 -0.899 492 HB2 ASN 65 2HB ASN 65 10.588 12.081 -3.010 493 HB3 ASN 65 1HB ASN 65 11.743 11.790 -1.722 494 HD21 ASN 65 1HD2 ASN 65 8.422 10.595 -2.066 495 HD22 ASN 65 2HD2 ASN 65 8.851 8.917 -2.115 496 HA PRO 66 HA PRO 66 5.750 13.245 -1.335 497 HB2 PRO 66 2HB PRO 66 5.214 15.803 -0.708 498 HB3 PRO 66 1HB PRO 66 5.572 14.598 0.528 499 HG2 PRO 66 2HG PRO 66 7.399 16.638 -0.699 500 HG3 PRO 66 1HG PRO 66 7.177 16.226 1.012 501 HD2 PRO 66 2HD PRO 66 9.223 15.246 -0.467 502 HD3 PRO 66 1HD PRO 66 8.477 14.331 0.855 503 H LYS 67 H LYS 67 7.624 13.493 -3.454 504 HA LYS 67 HA LYS 67 6.156 15.257 -5.290 505 HB2 LYS 67 2HB LYS 67 9.145 14.763 -5.265 506 HB3 LYS 67 1HB LYS 67 8.277 15.750 -6.436 507 HG2 LYS 67 2HG LYS 67 8.572 16.320 -3.492 508 HG3 LYS 67 1HG LYS 67 9.417 17.133 -4.808 509 HD2 LYS 67 2HD LYS 67 7.297 17.979 -5.663 510 HD3 LYS 67 1HD LYS 67 6.431 17.132 -4.381 511 HE2 LYS 67 2HE LYS 67 6.663 19.444 -3.766 512 HE3 LYS 67 1HE LYS 67 7.688 18.466 -2.715 513 HZ1 LYS 67 3HZ LYS 67 9.588 19.061 -4.096 514 HZ2 LYS 67 1HZ LYS 67 8.845 20.438 -3.455 515 HZ3 LYS 67 2HZ LYS 67 8.599 20.021 -5.072 516 H ILE 68 H ILE 68 6.129 12.343 -4.539 517 HA ILE 68 HA ILE 68 7.061 11.142 -7.041 518 HB ILE 68 HB ILE 68 6.674 8.956 -5.948 519 HG12 ILE 68 2HG1 ILE 68 6.237 10.566 -3.416 520 HG13 ILE 68 1HG1 ILE 68 4.962 9.747 -4.314 521 HG21 ILE 68 1HG2 ILE 68 8.877 9.896 -5.980 522 HG22 ILE 68 2HG2 ILE 68 8.610 9.093 -4.433 523 HG23 ILE 68 3HG2 ILE 68 8.533 10.851 -4.540 524 HD11 ILE 68 3HD1 ILE 68 5.661 8.441 -2.400 525 HD12 ILE 68 1HD1 ILE 68 7.321 8.429 -2.994 526 HD13 ILE 68 2HD1 ILE 68 6.054 7.603 -3.900 527 H ARG 69 H ARG 69 5.563 9.001 -7.314 528 HA ARG 69 HA ARG 69 2.859 10.082 -7.785 529 HB2 ARG 69 2HB ARG 69 3.990 9.863 -9.897 530 HB3 ARG 69 1HB ARG 69 4.550 8.251 -9.481 531 HG2 ARG 69 2HG ARG 69 2.212 7.464 -9.503 532 HG3 ARG 69 1HG ARG 69 1.709 9.073 -10.028 533 HD2 ARG 69 2HD ARG 69 2.889 8.869 -12.072 534 HD3 ARG 69 1HD ARG 69 3.735 7.425 -11.522 535 HE ARG 69 HE ARG 69 1.378 6.419 -11.476 536 HH11 ARG 69 1HH1 ARG 69 2.510 8.805 -13.785 537 HH12 ARG 69 2HH1 ARG 69 1.405 8.319 -15.026 538 HH21 ARG 69 1HH2 ARG 69 -0.063 5.763 -13.125 539 HH22 ARG 69 2HH2 ARG 69 -0.049 6.576 -14.655 540 H GLU 70 H GLU 70 4.746 7.116 -7.344 541 HA GLU 70 HA GLU 70 2.801 5.990 -5.594 542 HB2 GLU 70 2HB GLU 70 2.309 4.027 -7.085 543 HB3 GLU 70 1HB GLU 70 1.592 5.551 -7.597 544 HG2 GLU 70 2HG GLU 70 3.523 5.815 -9.174 545 HG3 GLU 70 1HG GLU 70 3.985 4.162 -8.767 546 H VAL 71 H VAL 71 3.430 3.774 -4.925 547 HA VAL 71 HA VAL 71 6.305 3.273 -5.280 548 HB VAL 71 HB VAL 71 5.860 4.524 -3.156 549 HG11 VAL 71 1HG1 VAL 71 4.808 3.336 -1.282 550 HG12 VAL 71 2HG1 VAL 71 4.331 2.054 -2.393 551 HG13 VAL 71 3HG1 VAL 71 3.685 3.683 -2.596 552 HG21 VAL 71 3HG2 VAL 71 6.921 1.722 -2.859 553 HG22 VAL 71 1HG2 VAL 71 7.139 3.013 -1.677 554 HG23 VAL 71 2HG2 VAL 71 7.837 3.166 -3.289 555 H TYR 72 H TYR 72 6.906 1.079 -5.090 556 HA TYR 72 HA TYR 72 4.636 -0.778 -4.951 557 HB2 TYR 72 2HB TYR 72 6.334 -2.399 -6.076 558 HB3 TYR 72 1HB TYR 72 5.512 -1.194 -7.053 559 HD1 TYR 72 2HD TYR 72 8.733 -2.101 -5.488 560 HD2 TYR 72 1HD TYR 72 6.723 0.532 -8.160 561 HE1 TYR 72 2HE TYR 72 10.901 -1.301 -6.326 562 HE2 TYR 72 1HE TYR 72 8.885 1.334 -9.007 563 HH TYR 72 HH TYR 72 11.197 1.471 -8.314 564 H LEU 73 H LEU 73 4.470 -1.931 -3.232 565 HA LEU 73 HA LEU 73 6.772 -2.088 -1.418 566 HB2 LEU 73 2HB LEU 73 3.862 -1.714 -1.046 567 HB3 LEU 73 1HB LEU 73 4.682 -2.691 0.154 568 HG LEU 73 HG LEU 73 5.440 0.135 -0.580 569 HD11 LEU 73 1HD1 LEU 73 4.538 0.705 1.628 570 HD12 LEU 73 2HD1 LEU 73 3.988 -0.960 1.830 571 HD13 LEU 73 3HD1 LEU 73 3.291 0.051 0.563 572 HD21 LEU 73 3HD2 LEU 73 6.787 -0.107 1.549 573 HD22 LEU 73 1HD2 LEU 73 7.376 -1.014 0.154 574 HD23 LEU 73 2HD2 LEU 73 6.488 -1.843 1.431 575 H LYS 74 H LYS 74 7.358 -3.977 -0.476 576 HA LYS 74 HA LYS 74 5.887 -6.382 -1.309 577 HB2 LYS 74 2HB LYS 74 8.119 -6.082 -2.408 578 HB3 LYS 74 1HB LYS 74 8.864 -6.155 -0.821 579 HG2 LYS 74 2HG LYS 74 7.119 -8.407 -1.667 580 HG3 LYS 74 1HG LYS 74 8.727 -8.264 -2.376 581 HD2 LYS 74 2HD LYS 74 9.660 -8.162 -0.070 582 HD3 LYS 74 1HD LYS 74 8.037 -8.479 0.545 583 HE2 LYS 74 2HE LYS 74 7.963 -10.605 -0.398 584 HE3 LYS 74 1HE LYS 74 9.361 -10.292 -1.431 585 HZ1 LYS 74 3HZ LYS 74 10.015 -11.666 0.411 586 HZ2 LYS 74 1HZ LYS 74 9.392 -10.552 1.526 587 HZ3 LYS 74 2HZ LYS 74 10.732 -10.146 0.580 588 HA PRO 75 HA PRO 75 5.030 -6.505 3.018 589 HB2 PRO 75 2HB PRO 75 4.063 -9.072 3.091 590 HB3 PRO 75 1HB PRO 75 3.130 -7.674 2.547 591 HG2 PRO 75 2HG PRO 75 4.629 -9.691 0.933 592 HG3 PRO 75 1HG PRO 75 3.018 -9.010 0.646 593 HD2 PRO 75 2HD PRO 75 5.144 -8.123 -0.716 594 HD3 PRO 75 1HD PRO 75 3.876 -7.012 -0.171 595 H ARG 76 H ARG 76 5.491 -7.705 4.923 596 HA ARG 76 HA ARG 76 8.251 -8.276 5.129 597 HB2 ARG 76 2HB ARG 76 6.190 -8.987 7.201 598 HB3 ARG 76 1HB ARG 76 7.861 -8.502 7.451 599 HG2 ARG 76 2HG ARG 76 7.365 -6.241 6.808 600 HG3 ARG 76 1HG ARG 76 5.719 -6.686 6.362 601 HD2 ARG 76 2HD ARG 76 5.578 -5.663 8.486 602 HD3 ARG 76 1HD ARG 76 5.384 -7.393 8.753 603 HE ARG 76 HE ARG 76 8.077 -6.363 9.050 604 HH11 ARG 76 1HH1 ARG 76 5.093 -7.305 10.628 605 HH12 ARG 76 2HH1 ARG 76 5.813 -7.375 12.207 606 HH21 ARG 76 1HH2 ARG 76 9.017 -6.473 11.118 607 HH22 ARG 76 2HH2 ARG 76 8.040 -6.908 12.485 608 H ALA 77 H ALA 77 5.532 -10.207 4.426 609 HA ALA 77 HA ALA 77 6.560 -12.712 5.311 610 HB1 ALA 77 1HB ALA 77 4.454 -12.141 3.226 611 HB2 ALA 77 2HB ALA 77 4.159 -12.318 4.956 612 HB3 ALA 77 3HB ALA 77 4.749 -13.689 4.016 613 H VAL 78 H VAL 78 8.646 -12.834 4.553 614 HA VAL 78 HA VAL 78 9.486 -12.425 1.894 615 HB VAL 78 HB VAL 78 10.758 -14.271 3.924 616 HG11 VAL 78 1HG1 VAL 78 11.947 -12.761 1.601 617 HG12 VAL 78 2HG1 VAL 78 11.673 -14.500 1.681 618 HG13 VAL 78 3HG1 VAL 78 12.843 -13.740 2.759 619 HG21 VAL 78 3HG2 VAL 78 11.153 -11.303 3.555 620 HG22 VAL 78 1HG2 VAL 78 12.086 -12.340 4.636 621 HG23 VAL 78 2HG2 VAL 78 10.365 -12.085 4.925 622 H LYS 79 H LYS 79 7.833 -15.003 3.396 623 HA LYS 79 HA LYS 79 8.612 -17.247 1.962 624 HB2 LYS 79 2HB LYS 79 5.879 -16.537 3.036 625 HB3 LYS 79 1HB LYS 79 6.382 -18.146 2.542 626 HG2 LYS 79 2HG LYS 79 7.938 -18.300 4.327 627 HG3 LYS 79 1HG LYS 79 7.745 -16.590 4.720 628 HD2 LYS 79 2HD LYS 79 5.469 -16.958 5.418 629 HD3 LYS 79 1HD LYS 79 5.541 -18.638 4.886 630 HE2 LYS 79 2HE LYS 79 7.282 -17.460 7.042 631 HE3 LYS 79 1HE LYS 79 5.781 -18.331 7.347 632 HZ1 LYS 79 3HZ LYS 79 7.731 -19.754 7.570 633 HZ2 LYS 79 1HZ LYS 79 8.154 -19.452 5.963 634 HZ3 LYS 79 2HZ LYS 79 6.726 -20.283 6.319 635 H ASN 80 H ASN 80 6.512 -14.622 0.972 636 HA ASN 80 HA ASN 80 5.046 -16.125 -0.961 637 HB2 ASN 80 2HB ASN 80 5.353 -13.141 -0.834 638 HB3 ASN 80 1HB ASN 80 4.068 -14.049 -1.623 639 HD21 ASN 80 1HD2 ASN 80 4.043 -12.022 0.450 640 HD22 ASN 80 2HD2 ASN 80 3.147 -12.714 1.746 641 H SER 81 H SER 81 7.797 -13.938 -1.108 642 HA SER 81 HA SER 81 9.370 -13.555 -2.680 643 HB2 SER 81 2HB SER 81 9.439 -15.982 -3.023 644 HB3 SER 81 1HB SER 81 8.113 -15.864 -4.177 645 HG SER 81 HG SER 81 9.613 -15.567 -5.599 646 H SER 82 H SER 82 6.380 -14.388 -4.506 647 HA SER 82 HA SER 82 6.928 -12.013 -6.153 648 HB2 SER 82 2HB SER 82 5.408 -14.532 -6.848 649 HB3 SER 82 1HB SER 82 5.647 -13.159 -7.929 650 HG SER 82 HG SER 82 7.460 -15.101 -7.072 651 H VAL 83 H VAL 83 5.538 -11.496 -3.774 652 HA VAL 83 HA VAL 83 3.015 -10.615 -5.011 653 HB VAL 83 HB VAL 83 2.656 -12.243 -3.117 654 HG11 VAL 83 1HG1 VAL 83 4.502 -11.515 -1.695 655 HG12 VAL 83 2HG1 VAL 83 2.961 -11.457 -0.840 656 HG13 VAL 83 3HG1 VAL 83 3.693 -9.968 -1.439 657 HG21 VAL 83 3HG2 VAL 83 0.886 -10.921 -2.055 658 HG22 VAL 83 1HG2 VAL 83 0.909 -10.697 -3.805 659 HG23 VAL 83 2HG2 VAL 83 1.574 -9.453 -2.747 660 H GLN 84 H GLN 84 2.551 -8.471 -4.887 661 HA GLN 84 HA GLN 84 4.251 -6.774 -3.207 662 HB2 GLN 84 2HB GLN 84 3.768 -6.355 -6.163 663 HB3 GLN 84 1HB GLN 84 4.459 -5.146 -5.094 664 HG2 GLN 84 2HG GLN 84 6.320 -6.720 -4.613 665 HG3 GLN 84 1HG GLN 84 5.647 -7.811 -5.825 666 HE21 GLN 84 1HE2 GLN 84 5.725 -7.226 -7.999 667 HE22 GLN 84 2HE2 GLN 84 6.770 -5.976 -8.576 668 H PHE 85 H PHE 85 3.323 -4.839 -2.593 669 HA PHE 85 HA PHE 85 0.495 -4.495 -3.302 670 HB2 PHE 85 2HB PHE 85 2.043 -3.550 -0.884 671 HB3 PHE 85 1HB PHE 85 0.425 -2.976 -1.286 672 HD1 PHE 85 1HD PHE 85 -1.485 -4.511 -1.218 673 HD2 PHE 85 2HD PHE 85 2.392 -5.715 0.047 674 HE1 PHE 85 1HE PHE 85 -2.468 -6.456 -0.078 675 HE2 PHE 85 2HE PHE 85 1.416 -7.662 1.192 676 HZ PHE 85 HZ PHE 85 -1.015 -8.035 1.128 677 H HIS 86 H HIS 86 0.059 -2.973 -4.648 678 HA HIS 86 HA HIS 86 2.189 -1.126 -5.428 679 HB2 HIS 86 2HB HIS 86 1.072 -2.648 -7.099 680 HB3 HIS 86 1HB HIS 86 -0.424 -1.777 -6.816 681 HD1 HIS 86 1HD HIS 86 -0.279 -1.338 -9.441 682 HD2 HIS 86 2HD HIS 86 2.601 0.567 -7.125 683 HE1 HIS 86 1HE HIS 86 0.702 0.437 -10.913 684 HE2 HIS 86 2HE HIS 86 2.276 1.717 -9.429 685 H VAL 87 H VAL 87 2.085 0.672 -4.174 686 HA VAL 87 HA VAL 87 -0.560 1.711 -3.459 687 HB VAL 87 HB VAL 87 2.188 2.325 -2.366 688 HG11 VAL 87 1HG1 VAL 87 0.869 4.370 -2.397 689 HG12 VAL 87 2HG1 VAL 87 1.067 3.781 -0.747 690 HG13 VAL 87 3HG1 VAL 87 -0.462 3.539 -1.592 691 HG21 VAL 87 3HG2 VAL 87 -0.236 1.054 -1.102 692 HG22 VAL 87 1HG2 VAL 87 1.300 1.374 -0.298 693 HG23 VAL 87 2HG2 VAL 87 1.223 0.209 -1.620 694 H ILE 88 H ILE 88 -1.367 3.160 -4.783 695 HA ILE 88 HA ILE 88 0.457 4.934 -6.238 696 HB ILE 88 HB ILE 88 -2.470 4.347 -6.739 697 HG12 ILE 88 2HG1 ILE 88 -1.363 3.531 -8.981 698 HG13 ILE 88 1HG1 ILE 88 0.074 3.364 -7.975 699 HG21 ILE 88 1HG2 ILE 88 -2.227 5.667 -8.775 700 HG22 ILE 88 2HG2 ILE 88 -0.572 6.070 -8.321 701 HG23 ILE 88 3HG2 ILE 88 -1.919 6.639 -7.337 702 HD11 ILE 88 3HD1 ILE 88 -1.110 1.266 -8.140 703 HD12 ILE 88 1HD1 ILE 88 -2.580 2.022 -7.524 704 HD13 ILE 88 2HD1 ILE 88 -1.163 1.872 -6.484 705 H PHE 89 H PHE 89 0.342 7.143 -6.003 706 HA PHE 89 HA PHE 89 -1.319 8.021 -3.761 707 HB2 PHE 89 2HB PHE 89 1.129 9.286 -4.990 708 HB3 PHE 89 1HB PHE 89 0.194 9.968 -3.661 709 HD1 PHE 89 1HD PHE 89 -0.259 8.370 -1.683 710 HD2 PHE 89 2HD PHE 89 2.920 7.910 -4.466 711 HE1 PHE 89 1HE PHE 89 0.927 6.941 -0.085 712 HE2 PHE 89 2HE PHE 89 4.118 6.485 -2.860 713 HZ PHE 89 HZ PHE 89 3.094 6.001 -0.681 714 H ASP 90 H ASP 90 -3.184 8.873 -4.374 715 HA ASP 90 HA ASP 90 -3.597 9.864 -7.032 716 HB2 ASP 90 2HB ASP 90 -5.389 9.715 -4.605 717 HB3 ASP 90 1HB ASP 90 -5.913 10.363 -6.150 718 H GLU 91 H GLU 91 -2.999 11.812 -7.618 719 HA GLU 91 HA GLU 91 -2.802 13.963 -5.690 720 HB2 GLU 91 2HB GLU 91 -1.050 13.677 -7.392 721 HB3 GLU 91 1HB GLU 91 -2.245 13.893 -8.660 722 HG2 GLU 91 2HG GLU 91 -2.616 16.169 -7.986 723 HG3 GLU 91 1HG GLU 91 -1.532 15.967 -6.611 724 H GLU 92 H GLU 92 -4.371 15.389 -5.346 725 HA GLU 92 HA GLU 92 -6.693 15.298 -7.152 726 HB2 GLU 92 2HB GLU 92 -6.633 15.786 -4.172 727 HB3 GLU 92 1HB GLU 92 -8.075 15.753 -5.174 728 HG2 GLU 92 2HG GLU 92 -7.761 13.419 -5.641 729 HG3 GLU 92 1HG GLU 92 -6.209 13.422 -4.803 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -5.669 -14.373 -2.775 2 H2 GLY 1 2HT GLY 1 -5.912 -16.041 -2.862 3 H3 GLY 1 3HT GLY 1 -4.913 -15.278 -3.987 4 HA2 GLY 1 1HA GLY 1 -3.344 -14.702 -2.248 5 HA3 GLY 1 2HA GLY 1 -4.387 -15.498 -1.078 6 H SER 2 H SER 2 -1.660 -16.101 -1.646 7 HA SER 2 HA SER 2 -0.232 -17.786 -2.076 8 HB2 SER 2 2HB SER 2 -1.052 -20.092 -1.492 9 HB3 SER 2 1HB SER 2 -1.317 -18.877 -0.246 10 HG SER 2 HG SER 2 -3.410 -19.110 -2.002 11 H ALA 3 H ALA 3 -0.709 -16.807 -4.338 12 HA ALA 3 HA ALA 3 -1.714 -18.872 -6.160 13 HB1 ALA 3 1HB ALA 3 -2.608 -16.600 -6.430 14 HB2 ALA 3 2HB ALA 3 -1.725 -17.133 -7.859 15 HB3 ALA 3 3HB ALA 3 -0.978 -16.003 -6.732 16 H MET 4 H MET 4 1.025 -18.400 -4.675 17 HA MET 4 HA MET 4 3.105 -18.103 -6.442 18 HB2 MET 4 2HB MET 4 3.406 -18.369 -4.024 19 HB3 MET 4 1HB MET 4 2.916 -20.053 -4.134 20 HG2 MET 4 2HG MET 4 4.872 -20.470 -5.599 21 HG3 MET 4 1HG MET 4 5.386 -18.809 -5.315 22 HE1 MET 4 3HE MET 4 4.579 -18.429 -2.220 23 HE2 MET 4 1HE MET 4 6.091 -17.869 -2.935 24 HE3 MET 4 2HE MET 4 6.118 -18.837 -1.462 25 H GLY 5 H GLY 5 3.782 -19.175 -8.182 26 HA2 GLY 5 2HA GLY 5 4.298 -21.118 -9.435 27 HA3 GLY 5 1HA GLY 5 3.128 -22.014 -8.477 28 H HIS 6 H HIS 6 0.880 -20.510 -8.676 29 HA HIS 6 HA HIS 6 -0.028 -21.113 -11.323 30 HB2 HIS 6 2HB HIS 6 -1.450 -19.449 -9.229 31 HB3 HIS 6 1HB HIS 6 -2.179 -20.253 -10.611 32 HD1 HIS 6 1HD HIS 6 -3.087 -20.722 -7.665 33 HD2 HIS 6 2HD HIS 6 -0.464 -23.161 -9.777 34 HE1 HIS 6 1HE HIS 6 -3.190 -22.968 -6.539 35 HE2 HIS 6 2HE HIS 6 -1.519 -24.395 -7.770 36 H MET 7 H MET 7 0.632 -18.204 -9.479 37 HA MET 7 HA MET 7 0.946 -16.709 -11.997 38 HB2 MET 7 2HB MET 7 -0.228 -15.768 -9.370 39 HB3 MET 7 1HB MET 7 0.275 -14.674 -10.650 40 HG2 MET 7 2HG MET 7 -1.831 -16.803 -10.926 41 HG3 MET 7 1HG MET 7 -2.145 -15.093 -10.630 42 HE1 MET 7 3HE MET 7 -3.730 -14.930 -12.733 43 HE2 MET 7 1HE MET 7 -3.487 -16.652 -13.029 44 HE3 MET 7 2HE MET 7 -3.283 -15.494 -14.343 45 HA PRO 8 HA PRO 8 5.176 -16.608 -10.425 46 HB2 PRO 8 2HB PRO 8 5.220 -14.488 -12.531 47 HB3 PRO 8 1HB PRO 8 6.358 -15.809 -12.244 48 HG2 PRO 8 2HG PRO 8 4.598 -15.954 -14.231 49 HG3 PRO 8 1HG PRO 8 4.988 -17.384 -13.259 50 HD2 PRO 8 2HD PRO 8 2.557 -15.660 -13.204 51 HD3 PRO 8 1HD PRO 8 2.711 -17.406 -12.931 52 H ALA 9 H ALA 9 3.546 -13.581 -11.387 53 HA ALA 9 HA ALA 9 4.136 -12.557 -8.698 54 HB1 ALA 9 1HB ALA 9 5.587 -11.428 -10.296 55 HB2 ALA 9 2HB ALA 9 4.411 -10.315 -9.599 56 HB3 ALA 9 3HB ALA 9 4.179 -10.931 -11.235 57 H VAL 10 H VAL 10 2.506 -11.509 -7.664 58 HA VAL 10 HA VAL 10 -0.032 -11.163 -9.131 59 HB VAL 10 HB VAL 10 0.306 -11.747 -6.176 60 HG11 VAL 10 1HG1 VAL 10 -2.136 -11.991 -6.170 61 HG12 VAL 10 2HG1 VAL 10 -2.183 -11.504 -7.865 62 HG13 VAL 10 3HG1 VAL 10 -1.638 -10.363 -6.635 63 HG21 VAL 10 3HG2 VAL 10 0.828 -13.715 -7.508 64 HG22 VAL 10 1HG2 VAL 10 -0.692 -13.540 -8.388 65 HG23 VAL 10 2HG2 VAL 10 -0.707 -13.923 -6.665 66 H ASP 11 H ASP 11 -0.525 -9.066 -9.362 67 HA ASP 11 HA ASP 11 0.809 -7.161 -7.573 68 HB2 ASP 11 2HB ASP 11 -0.257 -6.810 -10.377 69 HB3 ASP 11 1HB ASP 11 0.356 -5.489 -9.391 70 H VAL 12 H VAL 12 -0.357 -6.284 -6.076 71 HA VAL 12 HA VAL 12 -3.212 -5.717 -6.583 72 HB VAL 12 HB VAL 12 -1.927 -6.207 -3.887 73 HG11 VAL 12 1HG1 VAL 12 -3.926 -4.789 -3.845 74 HG12 VAL 12 2HG1 VAL 12 -4.202 -6.342 -3.054 75 HG13 VAL 12 3HG1 VAL 12 -4.829 -6.056 -4.677 76 HG21 VAL 12 3HG2 VAL 12 -3.074 -8.379 -3.885 77 HG22 VAL 12 1HG2 VAL 12 -1.868 -8.267 -5.168 78 HG23 VAL 12 2HG2 VAL 12 -3.581 -8.098 -5.551 79 H GLU 13 H GLU 13 -3.917 -3.595 -6.026 80 HA GLU 13 HA GLU 13 -1.680 -1.786 -5.431 81 HB2 GLU 13 2HB GLU 13 -2.675 -0.151 -7.007 82 HB3 GLU 13 1HB GLU 13 -2.104 -1.620 -7.782 83 HG2 GLU 13 2HG GLU 13 -4.465 -2.445 -7.760 84 HG3 GLU 13 1HG GLU 13 -4.946 -0.842 -7.201 85 H ILE 14 H ILE 14 -1.963 -0.339 -3.923 86 HA ILE 14 HA ILE 14 -4.663 0.042 -2.806 87 HB ILE 14 HB ILE 14 -2.122 0.874 -1.412 88 HG12 ILE 14 2HG1 ILE 14 -3.437 -1.844 -1.146 89 HG13 ILE 14 1HG1 ILE 14 -1.939 -1.557 -2.021 90 HG21 ILE 14 1HG2 ILE 14 -4.234 1.721 -0.569 91 HG22 ILE 14 2HG2 ILE 14 -3.520 0.591 0.581 92 HG23 ILE 14 3HG2 ILE 14 -4.863 0.079 -0.441 93 HD11 ILE 14 3HD1 ILE 14 -0.896 -0.794 0.082 94 HD12 ILE 14 1HD1 ILE 14 -1.468 -2.459 0.167 95 HD13 ILE 14 2HD1 ILE 14 -2.396 -1.171 0.935 96 H HIS 15 H HIS 15 -5.514 2.104 -2.768 97 HA HIS 15 HA HIS 15 -3.844 4.162 -4.039 98 HB2 HIS 15 2HB HIS 15 -6.831 3.776 -4.063 99 HB3 HIS 15 1HB HIS 15 -6.057 5.267 -4.589 100 HD1 HIS 15 1HD HIS 15 -7.068 1.989 -5.771 101 HD2 HIS 15 2HD HIS 15 -4.222 4.830 -6.840 102 HE1 HIS 15 1HE HIS 15 -6.361 1.391 -8.106 103 HE2 HIS 15 2HE HIS 15 -4.769 3.217 -8.789 104 H PHE 16 H PHE 16 -3.305 5.877 -2.964 105 HA PHE 16 HA PHE 16 -4.867 6.638 -0.592 106 HB2 PHE 16 2HB PHE 16 -1.855 6.605 -0.890 107 HB3 PHE 16 1HB PHE 16 -2.703 7.367 0.441 108 HD1 PHE 16 2HD PHE 16 -4.781 5.361 1.043 109 HD2 PHE 16 1HD PHE 16 -0.669 4.888 0.079 110 HE1 PHE 16 2HE PHE 16 -4.740 3.241 2.282 111 HE2 PHE 16 1HE PHE 16 -0.619 2.765 1.318 112 HZ PHE 16 HZ PHE 16 -2.656 1.938 2.420 113 HA PRO 17 HA PRO 17 -4.956 10.443 -2.942 114 HB2 PRO 17 2HB PRO 17 -6.095 11.619 -0.499 115 HB3 PRO 17 1HB PRO 17 -6.794 11.501 -2.112 116 HG2 PRO 17 2HG PRO 17 -7.714 10.004 -0.088 117 HG3 PRO 17 1HG PRO 17 -7.625 9.372 -1.740 118 HD2 PRO 17 2HD PRO 17 -5.751 8.933 0.560 119 HD3 PRO 17 1HD PRO 17 -6.400 7.749 -0.602 120 H LEU 18 H LEU 18 -3.307 11.724 -3.211 121 HA LEU 18 HA LEU 18 -0.948 11.501 -1.923 122 HB2 LEU 18 2HB LEU 18 -1.275 12.499 -4.128 123 HB3 LEU 18 1HB LEU 18 -1.964 13.931 -3.390 124 HG LEU 18 HG LEU 18 0.283 14.254 -2.240 125 HD11 LEU 18 1HD1 LEU 18 1.130 11.983 -2.585 126 HD12 LEU 18 2HD1 LEU 18 2.205 13.197 -3.278 127 HD13 LEU 18 3HD1 LEU 18 1.143 12.260 -4.329 128 HD21 LEU 18 3HD2 LEU 18 0.136 14.406 -5.247 129 HD22 LEU 18 1HD2 LEU 18 1.274 15.287 -4.228 130 HD23 LEU 18 2HD2 LEU 18 -0.456 15.620 -4.114 131 H LYS 19 H LYS 19 -3.359 13.989 -1.206 132 HA LYS 19 HA LYS 19 -1.556 15.497 0.419 133 HB2 LYS 19 2HB LYS 19 -4.541 15.707 0.064 134 HB3 LYS 19 1HB LYS 19 -3.538 16.889 0.893 135 HG2 LYS 19 2HG LYS 19 -2.404 17.464 -1.108 136 HG3 LYS 19 1HG LYS 19 -3.115 16.102 -1.975 137 HD2 LYS 19 2HD LYS 19 -4.641 18.466 -0.878 138 HD3 LYS 19 1HD LYS 19 -4.176 18.228 -2.561 139 HE2 LYS 19 2HE LYS 19 -5.460 16.163 -2.606 140 HE3 LYS 19 1HE LYS 19 -6.023 16.481 -0.968 141 HZ1 LYS 19 3HZ LYS 19 -6.514 18.145 -3.377 142 HZ2 LYS 19 1HZ LYS 19 -6.985 18.568 -1.807 143 HZ3 LYS 19 2HZ LYS 19 -7.658 17.210 -2.549 144 H ARG 20 H ARG 20 -4.155 13.188 1.116 145 HA ARG 20 HA ARG 20 -3.997 13.909 3.924 146 HB2 ARG 20 2HB ARG 20 -5.957 12.353 4.155 147 HB3 ARG 20 1HB ARG 20 -6.191 13.762 3.135 148 HG2 ARG 20 2HG ARG 20 -5.686 12.276 1.174 149 HG3 ARG 20 1HG ARG 20 -5.855 10.920 2.290 150 HD2 ARG 20 2HD ARG 20 -7.953 11.397 1.107 151 HD3 ARG 20 1HD ARG 20 -8.109 11.624 2.845 152 HE ARG 20 HE ARG 20 -7.459 14.082 1.598 153 HH11 ARG 20 1HH1 ARG 20 -10.095 11.843 2.065 154 HH12 ARG 20 2HH1 ARG 20 -11.331 13.033 1.810 155 HH21 ARG 20 1HH2 ARG 20 -9.080 15.673 1.294 156 HH22 ARG 20 2HH2 ARG 20 -10.751 15.219 1.382 157 H ILE 21 H ILE 21 -2.842 11.390 1.851 158 HA ILE 21 HA ILE 21 -2.317 9.522 3.959 159 HB ILE 21 HB ILE 21 -2.338 8.769 1.646 160 HG12 ILE 21 2HG1 ILE 21 -0.300 7.413 1.652 161 HG13 ILE 21 1HG1 ILE 21 0.436 8.492 2.829 162 HG21 ILE 21 1HG2 ILE 21 -0.354 9.322 0.181 163 HG22 ILE 21 2HG2 ILE 21 -0.001 10.622 1.321 164 HG23 ILE 21 3HG2 ILE 21 -1.524 10.617 0.434 165 HD11 ILE 21 3HD1 ILE 21 -0.348 6.441 3.860 166 HD12 ILE 21 1HD1 ILE 21 -1.983 6.761 3.286 167 HD13 ILE 21 2HD1 ILE 21 -1.239 7.833 4.474 168 H ALA 22 H ALA 22 -0.897 12.446 2.870 169 HA ALA 22 HA ALA 22 1.637 12.056 4.191 170 HB1 ALA 22 1HB ALA 22 0.405 14.574 3.075 171 HB2 ALA 22 2HB ALA 22 1.464 13.472 2.195 172 HB3 ALA 22 3HB ALA 22 2.082 14.371 3.581 173 H ALA 23 H ALA 23 -1.496 12.867 5.127 174 HA ALA 23 HA ALA 23 -0.846 14.721 7.227 175 HB1 ALA 23 1HB ALA 23 -3.008 14.823 6.104 176 HB2 ALA 23 2HB ALA 23 -3.214 14.511 7.828 177 HB3 ALA 23 3HB ALA 23 -3.389 13.195 6.668 178 H GLU 24 H GLU 24 -1.059 14.323 9.460 179 HA GLU 24 HA GLU 24 -0.011 11.765 10.242 180 HB2 GLU 24 2HB GLU 24 0.797 13.865 11.247 181 HB3 GLU 24 1HB GLU 24 -0.799 14.145 11.929 182 HG2 GLU 24 2HG GLU 24 -0.594 12.224 13.345 183 HG3 GLU 24 1HG GLU 24 0.924 11.767 12.573 184 H GLY 25 H GLY 25 -3.085 13.414 10.370 185 HA2 GLY 25 2HA GLY 25 -4.311 11.274 11.921 186 HA3 GLY 25 1HA GLY 25 -5.121 12.702 11.285 187 H TYR 26 H TYR 26 -3.118 10.312 9.654 188 HA TYR 26 HA TYR 26 -4.747 10.281 7.350 189 HB2 TYR 26 2HB TYR 26 -3.259 8.400 6.633 190 HB3 TYR 26 1HB TYR 26 -2.387 9.831 7.164 191 HD1 TYR 26 1HD TYR 26 -3.230 6.351 7.977 192 HD2 TYR 26 2HD TYR 26 -1.032 9.789 9.170 193 HE1 TYR 26 1HE TYR 26 -1.948 4.974 9.559 194 HE2 TYR 26 2HE TYR 26 0.254 8.422 10.755 195 HH TYR 26 HH TYR 26 0.009 4.943 10.803 196 H ALA 27 H ALA 27 -4.578 8.177 10.168 197 HA ALA 27 HA ALA 27 -5.953 6.007 8.904 198 HB1 ALA 27 1HB ALA 27 -5.869 4.931 11.057 199 HB2 ALA 27 2HB ALA 27 -5.427 6.452 11.834 200 HB3 ALA 27 3HB ALA 27 -4.312 5.680 10.706 201 H GLU 28 H GLU 28 -7.085 8.917 9.895 202 HA GLU 28 HA GLU 28 -9.655 7.828 10.802 203 HB2 GLU 28 2HB GLU 28 -8.527 10.624 10.998 204 HB3 GLU 28 1HB GLU 28 -10.137 10.157 11.532 205 HG2 GLU 28 2HG GLU 28 -7.537 9.098 12.618 206 HG3 GLU 28 1HG GLU 28 -8.590 10.278 13.398 207 H ASP 29 H ASP 29 -8.152 8.928 8.038 208 HA ASP 29 HA ASP 29 -10.395 10.374 6.935 209 HB2 ASP 29 2HB ASP 29 -8.163 11.024 6.233 210 HB3 ASP 29 1HB ASP 29 -7.850 9.395 5.634 211 H GLU 30 H GLU 30 -12.047 9.547 5.907 212 HA GLU 30 HA GLU 30 -12.544 6.787 6.041 213 HB2 GLU 30 2HB GLU 30 -14.293 8.530 6.169 214 HB3 GLU 30 1HB GLU 30 -14.028 8.894 4.468 215 HG2 GLU 30 2HG GLU 30 -14.634 6.528 3.955 216 HG3 GLU 30 1HG GLU 30 -15.089 6.346 5.650 217 H LEU 31 H LEU 31 -11.495 8.884 3.425 218 HA LEU 31 HA LEU 31 -11.959 7.071 1.325 219 HB2 LEU 31 2HB LEU 31 -10.650 9.637 1.707 220 HB3 LEU 31 1HB LEU 31 -9.799 8.624 0.556 221 HG LEU 31 HG LEU 31 -12.713 9.416 0.395 222 HD11 LEU 31 1HD1 LEU 31 -12.023 10.755 -1.521 223 HD12 LEU 31 2HD1 LEU 31 -10.341 10.311 -1.226 224 HD13 LEU 31 3HD1 LEU 31 -11.218 11.282 -0.042 225 HD21 LEU 31 3HD2 LEU 31 -12.556 8.437 -1.888 226 HD22 LEU 31 1HD2 LEU 31 -12.425 7.255 -0.588 227 HD23 LEU 31 2HD2 LEU 31 -10.979 7.783 -1.447 228 H LEU 32 H LEU 32 -9.229 7.734 3.417 229 HA LEU 32 HA LEU 32 -7.393 6.050 2.081 230 HB2 LEU 32 2HB LEU 32 -7.138 8.013 3.779 231 HB3 LEU 32 1HB LEU 32 -7.297 6.746 4.989 232 HG LEU 32 HG LEU 32 -5.406 5.622 3.574 233 HD11 LEU 32 1HD1 LEU 32 -5.414 7.291 1.805 234 HD12 LEU 32 2HD1 LEU 32 -3.854 7.243 2.624 235 HD13 LEU 32 3HD1 LEU 32 -4.994 8.540 2.977 236 HD21 LEU 32 3HD2 LEU 32 -4.912 7.904 5.469 237 HD22 LEU 32 1HD2 LEU 32 -3.731 6.673 5.024 238 HD23 LEU 32 2HD2 LEU 32 -5.186 6.218 5.909 239 H LEU 33 H LEU 33 -9.554 5.763 4.824 240 HA LEU 33 HA LEU 33 -8.766 3.235 5.714 241 HB2 LEU 33 2HB LEU 33 -11.177 4.930 6.014 242 HB3 LEU 33 1HB LEU 33 -11.138 3.333 6.702 243 HG LEU 33 HG LEU 33 -9.335 5.645 7.384 244 HD11 LEU 33 1HD1 LEU 33 -11.442 4.207 8.989 245 HD12 LEU 33 2HD1 LEU 33 -11.577 5.827 8.306 246 HD13 LEU 33 3HD1 LEU 33 -10.399 5.503 9.579 247 HD21 LEU 33 3HD2 LEU 33 -9.313 2.805 8.401 248 HD22 LEU 33 1HD2 LEU 33 -8.433 4.143 9.141 249 HD23 LEU 33 2HD2 LEU 33 -8.034 3.624 7.504 250 H ASN 34 H ASN 34 -11.489 4.221 3.618 251 HA ASN 34 HA ASN 34 -12.402 1.513 3.416 252 HB2 ASN 34 2HB ASN 34 -14.227 2.297 2.239 253 HB3 ASN 34 1HB ASN 34 -13.786 3.723 3.169 254 HD21 ASN 34 1HD2 ASN 34 -12.932 5.501 2.117 255 HD22 ASN 34 2HD2 ASN 34 -12.993 5.670 0.393 256 H GLN 35 H GLN 35 -10.269 3.537 1.577 257 HA GLN 35 HA GLN 35 -10.297 2.016 -0.818 258 HB2 GLN 35 2HB GLN 35 -9.250 4.415 -0.007 259 HB3 GLN 35 1HB GLN 35 -7.805 3.422 -0.115 260 HG2 GLN 35 2HG GLN 35 -7.845 3.406 -2.340 261 HG3 GLN 35 1HG GLN 35 -9.587 3.148 -2.391 262 HE21 GLN 35 1HE2 GLN 35 -8.208 5.835 -0.645 263 HE22 GLN 35 2HE2 GLN 35 -8.742 7.064 -1.730 264 H MET 36 H MET 36 -8.118 2.115 1.990 265 HA MET 36 HA MET 36 -6.604 -0.136 1.110 266 HB2 MET 36 2HB MET 36 -5.608 1.446 2.672 267 HB3 MET 36 1HB MET 36 -6.845 1.079 3.870 268 HG2 MET 36 2HG MET 36 -4.770 -0.076 4.381 269 HG3 MET 36 1HG MET 36 -6.056 -1.219 3.997 270 HE1 MET 36 3HE MET 36 -4.747 -3.218 3.527 271 HE2 MET 36 1HE MET 36 -3.200 -2.488 3.946 272 HE3 MET 36 2HE MET 36 -3.377 -3.361 2.424 273 H GLY 37 H GLY 37 -9.308 0.327 3.375 274 HA2 GLY 37 2HA GLY 37 -9.514 -2.239 4.411 275 HA3 GLY 37 1HA GLY 37 -10.879 -1.166 4.146 276 H LYS 38 H LYS 38 -10.573 -1.023 1.316 277 HA LYS 38 HA LYS 38 -11.901 -3.341 0.399 278 HB2 LYS 38 2HB LYS 38 -12.062 -1.101 -0.638 279 HB3 LYS 38 1HB LYS 38 -10.374 -1.220 -1.110 280 HG2 LYS 38 2HG LYS 38 -12.178 -3.370 -2.053 281 HG3 LYS 38 1HG LYS 38 -12.403 -1.769 -2.758 282 HD2 LYS 38 2HD LYS 38 -9.978 -1.733 -3.308 283 HD3 LYS 38 1HD LYS 38 -9.861 -3.393 -2.724 284 HE2 LYS 38 2HE LYS 38 -11.448 -4.120 -4.418 285 HE3 LYS 38 1HE LYS 38 -11.640 -2.458 -4.973 286 HZ1 LYS 38 3HZ LYS 38 -10.135 -3.613 -6.414 287 HZ2 LYS 38 1HZ LYS 38 -9.167 -4.093 -5.113 288 HZ3 LYS 38 2HZ LYS 38 -9.259 -2.463 -5.542 289 H VAL 39 H VAL 39 -8.611 -2.118 -0.133 290 HA VAL 39 HA VAL 39 -7.690 -4.679 -1.165 291 HB VAL 39 HB VAL 39 -6.157 -2.138 -0.568 292 HG11 VAL 39 1HG1 VAL 39 -5.406 -4.579 -2.142 293 HG12 VAL 39 2HG1 VAL 39 -4.608 -3.910 -0.713 294 HG13 VAL 39 3HG1 VAL 39 -4.550 -3.039 -2.247 295 HG21 VAL 39 3HG2 VAL 39 -7.921 -1.736 -2.187 296 HG22 VAL 39 1HG2 VAL 39 -7.345 -3.087 -3.163 297 HG23 VAL 39 2HG2 VAL 39 -6.335 -1.658 -2.952 298 H ASN 40 H ASN 40 -8.642 -4.944 1.475 299 HA ASN 40 HA ASN 40 -6.147 -5.211 3.016 300 HB2 ASN 40 2HB ASN 40 -7.511 -3.138 3.554 301 HB3 ASN 40 1HB ASN 40 -8.714 -4.233 4.233 302 HD21 ASN 40 1HD2 ASN 40 -5.260 -4.711 4.353 303 HD22 ASN 40 2HD2 ASN 40 -5.116 -4.578 6.068 304 H ASP 41 H ASP 41 -9.359 -6.364 2.395 305 HA ASP 41 HA ASP 41 -9.372 -8.111 4.691 306 HB2 ASP 41 2HB ASP 41 -11.478 -7.139 3.907 307 HB3 ASP 41 1HB ASP 41 -11.279 -7.913 2.337 308 H THR 42 H THR 42 -8.546 -8.307 1.335 309 HA THR 42 HA THR 42 -7.962 -11.175 1.649 310 HB THR 42 HB THR 42 -8.271 -11.318 -0.850 311 HG1 THR 42 1HG THR 42 -8.299 -9.353 -1.708 312 HG21 THR 42 3HG2 THR 42 -10.721 -11.343 -0.766 313 HG22 THR 42 1HG2 THR 42 -10.682 -10.422 0.737 314 HG23 THR 42 2HG2 THR 42 -10.031 -12.060 0.689 315 HA PRO 43 HA PRO 43 -4.160 -8.789 0.390 316 HB2 PRO 43 2HB PRO 43 -2.937 -8.304 2.664 317 HB3 PRO 43 1HB PRO 43 -4.428 -7.435 2.275 318 HG2 PRO 43 2HG PRO 43 -3.997 -9.711 4.154 319 HG3 PRO 43 1HG PRO 43 -5.090 -8.327 4.301 320 HD2 PRO 43 2HD PRO 43 -5.739 -10.923 3.354 321 HD3 PRO 43 1HD PRO 43 -6.775 -9.483 3.316 322 H GLU 44 H GLU 44 -4.658 -11.798 1.684 323 HA GLU 44 HA GLU 44 -3.515 -13.742 1.638 324 HB2 GLU 44 2HB GLU 44 -2.479 -12.948 -0.453 325 HB3 GLU 44 1HB GLU 44 -1.201 -12.187 0.486 326 HG2 GLU 44 2HG GLU 44 -0.412 -14.301 1.257 327 HG3 GLU 44 1HG GLU 44 -1.796 -15.133 0.552 328 H GLU 45 H GLU 45 -1.479 -11.055 2.768 329 HA GLU 45 HA GLU 45 0.026 -12.600 4.585 330 HB2 GLU 45 2HB GLU 45 -0.593 -9.664 4.518 331 HB3 GLU 45 1HB GLU 45 0.443 -10.381 5.737 332 HG2 GLU 45 2HG GLU 45 1.879 -11.202 3.836 333 HG3 GLU 45 1HG GLU 45 0.910 -10.166 2.783 334 H GLU 46 H GLU 46 -1.911 -9.968 5.861 335 HA GLU 46 HA GLU 46 -3.047 -11.803 7.857 336 HB2 GLU 46 2HB GLU 46 -1.940 -9.031 8.349 337 HB3 GLU 46 1HB GLU 46 -2.713 -10.047 9.553 338 HG2 GLU 46 2HG GLU 46 -0.185 -10.785 8.105 339 HG3 GLU 46 1HG GLU 46 -0.230 -9.974 9.668 340 H GLY 47 H GLY 47 -3.288 -8.309 7.367 341 HA2 GLY 47 2HA GLY 47 -5.527 -7.799 6.064 342 HA3 GLY 47 1HA GLY 47 -6.189 -8.513 7.524 343 H MET 48 H MET 48 -6.183 -7.342 9.424 344 HA MET 48 HA MET 48 -6.221 -4.584 9.181 345 HB2 MET 48 2HB MET 48 -7.518 -5.844 10.813 346 HB3 MET 48 1HB MET 48 -6.041 -6.256 11.677 347 HG2 MET 48 2HG MET 48 -6.791 -3.401 11.229 348 HG3 MET 48 1HG MET 48 -7.509 -4.328 12.546 349 HE1 MET 48 3HE MET 48 -5.511 -1.644 12.332 350 HE2 MET 48 1HE MET 48 -4.651 -1.815 13.864 351 HE3 MET 48 2HE MET 48 -6.395 -2.079 13.795 352 HA PRO 49 HA PRO 49 -1.775 -4.537 11.188 353 HB2 PRO 49 2HB PRO 49 -0.742 -7.078 10.052 354 HB3 PRO 49 1HB PRO 49 -0.466 -6.368 11.648 355 HG2 PRO 49 2HG PRO 49 -2.049 -8.481 11.396 356 HG3 PRO 49 1HG PRO 49 -2.489 -7.153 12.487 357 HD2 PRO 49 2HD PRO 49 -3.473 -7.713 9.707 358 HD3 PRO 49 1HD PRO 49 -4.406 -7.322 11.158 359 H LEU 50 H LEU 50 -2.643 -6.081 8.187 360 HA LEU 50 HA LEU 50 -0.529 -5.264 6.555 361 HB2 LEU 50 2HB LEU 50 -3.328 -6.118 6.135 362 HB3 LEU 50 1HB LEU 50 -2.524 -5.328 4.796 363 HG LEU 50 HG LEU 50 -2.474 -8.011 5.353 364 HD11 LEU 50 1HD1 LEU 50 -0.357 -6.457 3.861 365 HD12 LEU 50 2HD1 LEU 50 -1.988 -6.728 3.249 366 HD13 LEU 50 3HD1 LEU 50 -0.912 -8.098 3.530 367 HD21 LEU 50 3HD2 LEU 50 0.262 -6.964 6.056 368 HD22 LEU 50 1HD2 LEU 50 -0.322 -8.623 6.123 369 HD23 LEU 50 2HD2 LEU 50 -0.918 -7.435 7.280 370 H ARG 51 H ARG 51 -3.668 -3.714 7.160 371 HA ARG 51 HA ARG 51 -3.056 -1.466 5.553 372 HB2 ARG 51 2HB ARG 51 -4.957 -0.352 6.719 373 HB3 ARG 51 1HB ARG 51 -5.350 -1.904 5.995 374 HG2 ARG 51 2HG ARG 51 -6.154 -2.588 7.936 375 HG3 ARG 51 1HG ARG 51 -4.557 -2.400 8.657 376 HD2 ARG 51 2HD ARG 51 -5.812 -1.039 10.015 377 HD3 ARG 51 1HD ARG 51 -5.256 0.118 8.808 378 HE ARG 51 HE ARG 51 -7.613 -0.731 7.792 379 HH11 ARG 51 1HH1 ARG 51 -6.671 0.555 10.910 380 HH12 ARG 51 2HH1 ARG 51 -8.244 1.196 11.258 381 HH21 ARG 51 1HH2 ARG 51 -9.684 0.109 8.251 382 HH22 ARG 51 2HH2 ARG 51 -9.959 0.947 9.746 383 H ALA 52 H ALA 52 -2.676 -2.129 9.007 384 HA ALA 52 HA ALA 52 -1.840 0.441 9.732 385 HB1 ALA 52 1HB ALA 52 -2.435 -1.323 11.342 386 HB2 ALA 52 2HB ALA 52 -0.866 -0.595 11.699 387 HB3 ALA 52 3HB ALA 52 -0.948 -2.182 10.932 388 H TRP 53 H TRP 53 0.125 -2.374 8.672 389 HA TRP 53 HA TRP 53 2.564 -0.932 8.953 390 HB2 TRP 53 2HB TRP 53 3.626 -2.903 8.557 391 HB3 TRP 53 1HB TRP 53 2.036 -3.551 8.885 392 HD1 TRP 53 HD TRP 53 1.135 -5.220 7.176 393 HE1 TRP 53 1HE TRP 53 1.778 -5.963 4.774 394 HE3 TRP 53 3HE TRP 53 4.770 -1.761 6.205 395 HZ2 TRP 53 2HZ TRP 53 3.571 -5.166 2.786 396 HZ3 TRP 53 3HZ TRP 53 5.913 -1.839 4.028 397 HH2 TRP 53 HH TRP 53 5.313 -3.514 2.351 398 H VAL 54 H VAL 54 0.531 -1.744 6.182 399 HA VAL 54 HA VAL 54 2.399 -0.769 4.287 400 HB VAL 54 HB VAL 54 0.470 -2.464 4.018 401 HG11 VAL 54 1HG1 VAL 54 -1.360 -0.991 4.608 402 HG12 VAL 54 2HG1 VAL 54 -1.532 -1.551 2.945 403 HG13 VAL 54 3HG1 VAL 54 -0.954 0.084 3.272 404 HG21 VAL 54 3HG2 VAL 54 2.061 -1.908 2.279 405 HG22 VAL 54 1HG2 VAL 54 1.141 -0.462 1.866 406 HG23 VAL 54 2HG2 VAL 54 0.443 -2.059 1.595 407 H ILE 55 H ILE 55 -0.524 0.628 5.752 408 HA ILE 55 HA ILE 55 -0.468 3.021 4.265 409 HB ILE 55 HB ILE 55 -1.609 2.452 7.000 410 HG12 ILE 55 2HG1 ILE 55 -2.950 2.790 4.311 411 HG13 ILE 55 1HG1 ILE 55 -2.587 1.239 5.065 412 HG21 ILE 55 1HG2 ILE 55 -1.134 4.832 6.814 413 HG22 ILE 55 2HG2 ILE 55 -2.870 4.526 6.774 414 HG23 ILE 55 3HG2 ILE 55 -2.005 4.900 5.280 415 HD11 ILE 55 3HD1 ILE 55 -4.436 3.350 6.150 416 HD12 ILE 55 1HD1 ILE 55 -4.066 1.805 6.925 417 HD13 ILE 55 2HD1 ILE 55 -4.910 1.840 5.373 418 H LYS 56 H LYS 56 1.005 2.152 7.408 419 HA LYS 56 HA LYS 56 2.128 4.718 7.813 420 HB2 LYS 56 2HB LYS 56 1.990 3.095 9.646 421 HB3 LYS 56 1HB LYS 56 3.148 2.056 8.823 422 HG2 LYS 56 2HG LYS 56 4.891 3.649 9.092 423 HG3 LYS 56 1HG LYS 56 3.761 4.882 9.650 424 HD2 LYS 56 2HD LYS 56 3.305 3.554 11.651 425 HD3 LYS 56 1HD LYS 56 4.438 2.321 11.091 426 HE2 LYS 56 2HE LYS 56 5.438 3.833 12.763 427 HE3 LYS 56 1HE LYS 56 6.270 3.893 11.212 428 HZ1 LYS 56 3HZ LYS 56 4.234 5.863 12.097 429 HZ2 LYS 56 1HZ LYS 56 5.175 5.950 10.692 430 HZ3 LYS 56 2HZ LYS 56 5.900 6.096 12.216 431 H CYS 57 H CYS 57 3.426 1.777 6.286 432 HA CYS 57 HA CYS 57 5.997 2.749 5.777 433 HB2 CYS 57 2HB CYS 57 5.339 0.378 5.538 434 HB3 CYS 57 1HB CYS 57 4.400 0.794 4.109 435 HG CYS 57 HG CYS 57 7.228 1.981 3.354 436 H ALA 58 H ALA 58 3.056 2.925 3.786 437 HA ALA 58 HA ALA 58 4.230 4.279 1.603 438 HB1 ALA 58 1HB ALA 58 1.933 4.878 0.992 439 HB2 ALA 58 2HB ALA 58 1.372 4.337 2.574 440 HB3 ALA 58 3HB ALA 58 2.063 3.178 1.437 441 H HIS 59 H HIS 59 2.671 5.386 4.562 442 HA HIS 59 HA HIS 59 2.651 8.139 4.067 443 HB2 HIS 59 2HB HIS 59 1.437 7.020 5.915 444 HB3 HIS 59 1HB HIS 59 2.970 6.698 6.713 445 HD1 HIS 59 1HD HIS 59 1.789 8.077 8.705 446 HD2 HIS 59 2HD HIS 59 2.827 10.236 5.327 447 HE1 HIS 59 1HE HIS 59 1.707 10.486 9.401 448 HE2 HIS 59 2HE HIS 59 2.674 11.731 7.430 449 H GLU 60 H GLU 60 5.056 6.164 5.804 450 HA GLU 60 HA GLU 60 6.890 8.204 6.364 451 HB2 GLU 60 2HB GLU 60 7.633 5.343 5.739 452 HB3 GLU 60 1HB GLU 60 8.501 6.472 6.766 453 HG2 GLU 60 2HG GLU 60 5.771 5.366 7.364 454 HG3 GLU 60 1HG GLU 60 7.279 4.721 8.003 455 H ALA 61 H ALA 61 6.596 6.049 3.581 456 HA ALA 61 HA ALA 61 8.979 6.821 2.294 457 HB1 ALA 61 1HB ALA 61 7.778 4.739 1.797 458 HB2 ALA 61 2HB ALA 61 8.093 5.687 0.343 459 HB3 ALA 61 3HB ALA 61 6.481 5.676 1.057 460 H LEU 62 H LEU 62 5.639 7.972 1.971 461 HA LEU 62 HA LEU 62 6.155 9.587 -0.293 462 HB2 LEU 62 2HB LEU 62 3.904 8.855 0.284 463 HB3 LEU 62 1HB LEU 62 3.943 9.844 1.736 464 HG LEU 62 HG LEU 62 4.458 11.757 -0.048 465 HD11 LEU 62 1HD1 LEU 62 4.437 10.157 -1.930 466 HD12 LEU 62 2HD1 LEU 62 3.250 11.451 -2.092 467 HD13 LEU 62 3HD1 LEU 62 2.733 9.839 -1.594 468 HD21 LEU 62 3HD2 LEU 62 2.107 12.323 -0.016 469 HD22 LEU 62 1HD2 LEU 62 2.623 11.733 1.564 470 HD23 LEU 62 2HD2 LEU 62 1.704 10.681 0.488 471 H GLU 63 H GLU 63 5.977 10.386 3.191 472 HA GLU 63 HA GLU 63 6.402 13.162 2.721 473 HB2 GLU 63 2HB GLU 63 6.662 11.480 5.206 474 HB3 GLU 63 1HB GLU 63 7.033 13.198 5.198 475 HG2 GLU 63 2HG GLU 63 4.667 13.471 4.206 476 HG3 GLU 63 1HG GLU 63 4.401 11.837 4.814 477 H LYS 64 H LYS 64 8.547 10.449 3.001 478 HA LYS 64 HA LYS 64 10.931 11.854 3.582 479 HB2 LYS 64 2HB LYS 64 10.425 9.279 3.502 480 HB3 LYS 64 1HB LYS 64 10.871 9.424 1.810 481 HG2 LYS 64 2HG LYS 64 12.655 10.277 4.078 482 HG3 LYS 64 1HG LYS 64 12.701 8.677 3.340 483 HD2 LYS 64 2HD LYS 64 13.277 9.658 1.195 484 HD3 LYS 64 1HD LYS 64 13.139 11.279 1.877 485 HE2 LYS 64 2HE LYS 64 15.113 9.175 2.757 486 HE3 LYS 64 1HE LYS 64 15.476 10.534 1.698 487 HZ1 LYS 64 3HZ LYS 64 16.132 10.997 3.966 488 HZ2 LYS 64 1HZ LYS 64 14.552 10.734 4.512 489 HZ3 LYS 64 2HZ LYS 64 14.889 12.041 3.493 490 H ASN 65 H ASN 65 9.415 10.860 0.542 491 HA ASN 65 HA ASN 65 10.821 13.047 -0.807 492 HB2 ASN 65 2HB ASN 65 10.957 11.546 -2.856 493 HB3 ASN 65 1HB ASN 65 12.052 11.151 -1.539 494 HD21 ASN 65 1HD2 ASN 65 9.177 10.200 -3.250 495 HD22 ASN 65 2HD2 ASN 65 9.125 8.568 -2.694 496 HA PRO 66 HA PRO 66 6.224 13.159 -1.352 497 HB2 PRO 66 2HB PRO 66 5.875 15.769 -0.807 498 HB3 PRO 66 1HB PRO 66 6.093 14.573 0.470 499 HG2 PRO 66 2HG PRO 66 8.118 16.424 -0.742 500 HG3 PRO 66 1HG PRO 66 7.808 16.081 0.971 501 HD2 PRO 66 2HD PRO 66 9.816 14.895 -0.411 502 HD3 PRO 66 1HD PRO 66 8.954 14.080 0.907 503 H LYS 67 H LYS 67 8.030 13.085 -3.466 504 HA LYS 67 HA LYS 67 6.911 15.094 -5.306 505 HB2 LYS 67 2HB LYS 67 9.719 13.973 -5.419 506 HB3 LYS 67 1HB LYS 67 9.029 15.179 -6.495 507 HG2 LYS 67 2HG LYS 67 8.861 16.749 -4.632 508 HG3 LYS 67 1HG LYS 67 9.555 15.536 -3.554 509 HD2 LYS 67 2HD LYS 67 11.576 15.489 -4.983 510 HD3 LYS 67 1HD LYS 67 10.883 16.787 -5.954 511 HE2 LYS 67 2HE LYS 67 10.817 18.216 -3.954 512 HE3 LYS 67 1HE LYS 67 11.564 16.919 -3.021 513 HZ1 LYS 67 3HZ LYS 67 12.774 18.322 -5.343 514 HZ2 LYS 67 1HZ LYS 67 13.491 17.046 -4.496 515 HZ3 LYS 67 2HZ LYS 67 13.210 18.523 -3.725 516 H ILE 68 H ILE 68 6.638 12.066 -4.478 517 HA ILE 68 HA ILE 68 6.945 10.897 -7.145 518 HB ILE 68 HB ILE 68 6.345 8.737 -6.015 519 HG12 ILE 68 2HG1 ILE 68 6.820 10.294 -3.458 520 HG13 ILE 68 1HG1 ILE 68 5.233 9.797 -4.036 521 HG21 ILE 68 1HG2 ILE 68 8.579 8.493 -4.946 522 HG22 ILE 68 2HG2 ILE 68 8.803 10.232 -5.149 523 HG23 ILE 68 3HG2 ILE 68 8.610 9.196 -6.563 524 HD11 ILE 68 3HD1 ILE 68 6.078 8.296 -2.324 525 HD12 ILE 68 1HD1 ILE 68 7.498 7.953 -3.313 526 HD13 ILE 68 2HD1 ILE 68 5.897 7.463 -3.867 527 H ARG 69 H ARG 69 5.160 9.109 -7.443 528 HA ARG 69 HA ARG 69 2.532 10.391 -7.043 529 HB2 ARG 69 2HB ARG 69 3.498 10.691 -9.387 530 HB3 ARG 69 1HB ARG 69 3.318 8.952 -9.578 531 HG2 ARG 69 2HG ARG 69 0.865 9.339 -8.926 532 HG3 ARG 69 1HG ARG 69 1.192 11.038 -9.270 533 HD2 ARG 69 2HD ARG 69 0.301 10.107 -11.256 534 HD3 ARG 69 1HD ARG 69 2.032 10.299 -11.528 535 HE ARG 69 HE ARG 69 2.005 7.792 -10.751 536 HH11 ARG 69 1HH1 ARG 69 -0.252 9.416 -12.870 537 HH12 ARG 69 2HH1 ARG 69 -0.665 7.974 -13.742 538 HH21 ARG 69 1HH2 ARG 69 1.462 5.883 -11.887 539 HH22 ARG 69 2HH2 ARG 69 0.313 5.974 -13.194 540 H GLU 70 H GLU 70 4.496 7.610 -7.063 541 HA GLU 70 HA GLU 70 2.531 6.091 -5.675 542 HB2 GLU 70 2HB GLU 70 2.500 4.193 -7.284 543 HB3 GLU 70 1HB GLU 70 1.720 5.648 -7.911 544 HG2 GLU 70 2HG GLU 70 3.785 6.171 -9.157 545 HG3 GLU 70 1HG GLU 70 4.503 4.676 -8.565 546 H VAL 71 H VAL 71 3.453 4.073 -4.866 547 HA VAL 71 HA VAL 71 6.384 3.970 -5.081 548 HB VAL 71 HB VAL 71 5.680 5.042 -2.941 549 HG11 VAL 71 1HG1 VAL 71 3.621 3.917 -2.509 550 HG12 VAL 71 2HG1 VAL 71 4.728 3.617 -1.168 551 HG13 VAL 71 3HG1 VAL 71 4.446 2.364 -2.378 552 HG21 VAL 71 3HG2 VAL 71 7.826 3.929 -3.075 553 HG22 VAL 71 1HG2 VAL 71 7.074 2.385 -2.668 554 HG23 VAL 71 2HG2 VAL 71 7.115 3.686 -1.478 555 H TYR 72 H TYR 72 7.301 1.873 -4.754 556 HA TYR 72 HA TYR 72 5.355 -0.248 -5.343 557 HB2 TYR 72 2HB TYR 72 8.282 -0.109 -6.120 558 HB3 TYR 72 1HB TYR 72 7.150 -1.385 -6.569 559 HD1 TYR 72 1HD TYR 72 5.335 -0.924 -8.175 560 HD2 TYR 72 2HD TYR 72 8.273 2.010 -7.252 561 HE1 TYR 72 1HE TYR 72 4.639 0.384 -10.135 562 HE2 TYR 72 2HE TYR 72 7.588 3.324 -9.213 563 HH TYR 72 HH TYR 72 4.701 2.771 -10.852 564 H LEU 73 H LEU 73 5.024 -1.625 -3.872 565 HA LEU 73 HA LEU 73 6.903 -1.743 -1.624 566 HB2 LEU 73 2HB LEU 73 5.162 -0.110 -1.224 567 HB3 LEU 73 1HB LEU 73 3.927 -1.276 -1.645 568 HG LEU 73 HG LEU 73 5.717 -1.914 0.621 569 HD11 LEU 73 1HD1 LEU 73 5.129 0.427 1.024 570 HD12 LEU 73 2HD1 LEU 73 4.282 -0.635 2.150 571 HD13 LEU 73 3HD1 LEU 73 3.425 0.048 0.767 572 HD21 LEU 73 3HD2 LEU 73 4.063 -3.512 -0.132 573 HD22 LEU 73 1HD2 LEU 73 2.792 -2.300 0.032 574 HD23 LEU 73 2HD2 LEU 73 3.626 -2.897 1.463 575 H LYS 74 H LYS 74 6.976 -3.697 -0.492 576 HA LYS 74 HA LYS 74 5.356 -5.865 -1.634 577 HB2 LYS 74 2HB LYS 74 7.746 -5.913 -2.427 578 HB3 LYS 74 1HB LYS 74 8.222 -6.201 -0.753 579 HG2 LYS 74 2HG LYS 74 6.626 -8.174 -0.802 580 HG3 LYS 74 1HG LYS 74 6.583 -7.955 -2.550 581 HD2 LYS 74 2HD LYS 74 9.000 -8.269 -2.649 582 HD3 LYS 74 1HD LYS 74 9.046 -8.475 -0.893 583 HE2 LYS 74 2HE LYS 74 7.388 -10.363 -1.206 584 HE3 LYS 74 1HE LYS 74 7.722 -10.237 -2.937 585 HZ1 LYS 74 3HZ LYS 74 9.102 -11.936 -1.865 586 HZ2 LYS 74 1HZ LYS 74 9.795 -10.761 -0.870 587 HZ3 LYS 74 2HZ LYS 74 10.035 -10.707 -2.541 588 HA PRO 75 HA PRO 75 3.683 -6.904 2.339 589 HB2 PRO 75 2HB PRO 75 4.532 -9.491 1.085 590 HB3 PRO 75 1HB PRO 75 3.117 -9.172 2.107 591 HG2 PRO 75 2HG PRO 75 2.784 -9.116 -0.469 592 HG3 PRO 75 1HG PRO 75 2.122 -7.799 0.490 593 HD2 PRO 75 2HD PRO 75 4.497 -7.803 -1.297 594 HD3 PRO 75 1HD PRO 75 3.375 -6.487 -0.907 595 H ARG 76 H ARG 76 4.346 -7.198 4.291 596 HA ARG 76 HA ARG 76 7.017 -7.198 5.072 597 HB2 ARG 76 2HB ARG 76 4.889 -6.482 6.328 598 HB3 ARG 76 1HB ARG 76 4.721 -8.177 6.758 599 HG2 ARG 76 2HG ARG 76 6.868 -8.123 7.882 600 HG3 ARG 76 1HG ARG 76 7.078 -6.437 7.405 601 HD2 ARG 76 2HD ARG 76 6.303 -6.558 9.701 602 HD3 ARG 76 1HD ARG 76 5.060 -5.839 8.675 603 HE ARG 76 HE ARG 76 4.668 -8.640 8.917 604 HH11 ARG 76 1HH1 ARG 76 4.292 -5.636 10.673 605 HH12 ARG 76 2HH1 ARG 76 3.025 -6.243 11.690 606 HH21 ARG 76 1HH2 ARG 76 2.981 -9.432 10.247 607 HH22 ARG 76 2HH2 ARG 76 2.271 -8.391 11.442 608 H ALA 77 H ALA 77 4.628 -9.787 4.852 609 HA ALA 77 HA ALA 77 6.487 -11.864 5.571 610 HB1 ALA 77 1HB ALA 77 4.080 -12.142 5.939 611 HB2 ALA 77 2HB ALA 77 4.708 -13.396 4.869 612 HB3 ALA 77 3HB ALA 77 3.799 -12.041 4.201 613 H VAL 78 H VAL 78 8.149 -11.092 4.108 614 HA VAL 78 HA VAL 78 7.934 -10.931 1.342 615 HB VAL 78 HB VAL 78 10.393 -11.200 1.291 616 HG11 VAL 78 1HG1 VAL 78 9.431 -9.021 1.751 617 HG12 VAL 78 2HG1 VAL 78 10.911 -9.244 2.684 618 HG13 VAL 78 3HG1 VAL 78 9.341 -9.403 3.472 619 HG21 VAL 78 3HG2 VAL 78 10.653 -12.891 3.017 620 HG22 VAL 78 1HG2 VAL 78 10.085 -11.754 4.241 621 HG23 VAL 78 2HG2 VAL 78 11.614 -11.464 3.410 622 H LYS 79 H LYS 79 8.003 -13.713 3.337 623 HA LYS 79 HA LYS 79 9.096 -15.623 1.610 624 HB2 LYS 79 2HB LYS 79 7.018 -15.893 3.781 625 HB3 LYS 79 1HB LYS 79 7.724 -17.266 2.938 626 HG2 LYS 79 2HG LYS 79 9.949 -16.571 3.719 627 HG3 LYS 79 1HG LYS 79 9.202 -15.249 4.617 628 HD2 LYS 79 2HD LYS 79 7.932 -16.867 5.940 629 HD3 LYS 79 1HD LYS 79 8.656 -18.191 5.026 630 HE2 LYS 79 2HE LYS 79 10.181 -16.203 6.706 631 HE3 LYS 79 1HE LYS 79 9.737 -17.828 7.219 632 HZ1 LYS 79 3HZ LYS 79 12.025 -17.698 6.406 633 HZ2 LYS 79 1HZ LYS 79 11.469 -17.191 4.893 634 HZ3 LYS 79 2HZ LYS 79 11.090 -18.737 5.456 635 H ASN 80 H ASN 80 6.018 -14.024 1.544 636 HA ASN 80 HA ASN 80 4.541 -15.908 0.059 637 HB2 ASN 80 2HB ASN 80 4.348 -12.900 0.080 638 HB3 ASN 80 1HB ASN 80 3.188 -13.965 -0.703 639 HD21 ASN 80 1HD2 ASN 80 2.698 -12.075 1.349 640 HD22 ASN 80 2HD2 ASN 80 2.076 -12.959 2.690 641 H SER 81 H SER 81 6.821 -13.431 -0.825 642 HA SER 81 HA SER 81 8.161 -13.153 -2.611 643 HB2 SER 81 2HB SER 81 7.022 -15.750 -3.649 644 HB3 SER 81 1HB SER 81 8.518 -14.973 -4.168 645 HG SER 81 HG SER 81 7.922 -16.226 -1.711 646 H SER 82 H SER 82 5.208 -14.604 -4.011 647 HA SER 82 HA SER 82 5.564 -13.099 -6.388 648 HB2 SER 82 2HB SER 82 3.217 -14.798 -5.523 649 HB3 SER 82 1HB SER 82 3.572 -14.273 -7.169 650 HG SER 82 HG SER 82 5.261 -15.628 -7.265 651 H VAL 83 H VAL 83 3.887 -12.401 -3.475 652 HA VAL 83 HA VAL 83 1.877 -10.794 -4.812 653 HB VAL 83 HB VAL 83 1.148 -12.034 -2.875 654 HG11 VAL 83 1HG1 VAL 83 3.321 -10.570 -1.411 655 HG12 VAL 83 2HG1 VAL 83 3.152 -12.304 -1.655 656 HG13 VAL 83 3HG1 VAL 83 2.022 -11.452 -0.603 657 HG21 VAL 83 3HG2 VAL 83 0.035 -9.913 -3.224 658 HG22 VAL 83 1HG2 VAL 83 1.268 -9.080 -2.280 659 HG23 VAL 83 2HG2 VAL 83 0.189 -10.232 -1.496 660 H GLN 84 H GLN 84 1.962 -8.695 -5.149 661 HA GLN 84 HA GLN 84 4.049 -7.089 -3.822 662 HB2 GLN 84 2HB GLN 84 3.265 -6.914 -6.743 663 HB3 GLN 84 1HB GLN 84 4.492 -5.950 -5.937 664 HG2 GLN 84 2HG GLN 84 4.632 -8.937 -6.253 665 HG3 GLN 84 1HG GLN 84 5.373 -7.787 -7.361 666 HE21 GLN 84 1HE2 GLN 84 6.596 -9.843 -5.706 667 HE22 GLN 84 2HE2 GLN 84 7.744 -9.029 -4.705 668 H PHE 85 H PHE 85 3.384 -5.076 -3.161 669 HA PHE 85 HA PHE 85 0.616 -4.340 -3.821 670 HB2 PHE 85 2HB PHE 85 2.332 -3.614 -1.452 671 HB3 PHE 85 1HB PHE 85 0.815 -2.804 -1.813 672 HD1 PHE 85 2HD PHE 85 -0.917 -5.010 -2.615 673 HD2 PHE 85 1HD PHE 85 1.993 -4.807 0.481 674 HE1 PHE 85 2HE PHE 85 -2.135 -6.745 -1.365 675 HE2 PHE 85 1HE PHE 85 0.780 -6.537 1.738 676 HZ PHE 85 HZ PHE 85 -1.284 -7.510 0.820 677 H HIS 86 H HIS 86 0.269 -2.672 -5.069 678 HA HIS 86 HA HIS 86 2.476 -0.787 -5.568 679 HB2 HIS 86 2HB HIS 86 -0.005 -1.395 -7.199 680 HB3 HIS 86 1HB HIS 86 1.172 -0.152 -7.604 681 HD1 HIS 86 1HD HIS 86 2.861 -0.882 -9.249 682 HD2 HIS 86 2HD HIS 86 1.351 -4.077 -7.064 683 HE1 HIS 86 1HE HIS 86 3.964 -2.935 -10.194 684 HE2 HIS 86 2HE HIS 86 2.874 -4.870 -8.998 685 H VAL 87 H VAL 87 2.292 0.901 -4.169 686 HA VAL 87 HA VAL 87 -0.402 1.796 -3.473 687 HB VAL 87 HB VAL 87 2.307 2.505 -2.351 688 HG11 VAL 87 1HG1 VAL 87 1.134 3.942 -0.744 689 HG12 VAL 87 2HG1 VAL 87 -0.374 3.672 -1.620 690 HG13 VAL 87 3HG1 VAL 87 0.957 4.528 -2.398 691 HG21 VAL 87 3HG2 VAL 87 -0.109 1.201 -1.111 692 HG22 VAL 87 1HG2 VAL 87 1.415 1.542 -0.295 693 HG23 VAL 87 2HG2 VAL 87 1.363 0.373 -1.616 694 H ILE 88 H ILE 88 -1.293 3.215 -4.766 695 HA ILE 88 HA ILE 88 0.451 5.049 -6.254 696 HB ILE 88 HB ILE 88 -2.389 4.215 -6.856 697 HG12 ILE 88 2HG1 ILE 88 0.198 3.507 -8.261 698 HG13 ILE 88 1HG1 ILE 88 -0.675 2.435 -7.168 699 HG21 ILE 88 1HG2 ILE 88 -2.057 5.370 -8.993 700 HG22 ILE 88 2HG2 ILE 88 -0.469 5.913 -8.448 701 HG23 ILE 88 3HG2 ILE 88 -1.925 6.477 -7.627 702 HD11 ILE 88 3HD1 ILE 88 -1.114 1.870 -9.482 703 HD12 ILE 88 1HD1 ILE 88 -1.701 3.504 -9.786 704 HD13 ILE 88 2HD1 ILE 88 -2.583 2.441 -8.689 705 H PHE 89 H PHE 89 0.166 7.189 -6.152 706 HA PHE 89 HA PHE 89 -1.510 8.115 -3.943 707 HB2 PHE 89 2HB PHE 89 0.978 9.234 -5.223 708 HB3 PHE 89 1HB PHE 89 0.038 10.089 -4.006 709 HD1 PHE 89 2HD PHE 89 -0.511 8.718 -1.871 710 HD2 PHE 89 1HD PHE 89 2.701 7.873 -4.522 711 HE1 PHE 89 2HE PHE 89 0.604 7.433 -0.104 712 HE2 PHE 89 1HE PHE 89 3.817 6.574 -2.758 713 HZ PHE 89 HZ PHE 89 2.748 6.360 -0.557 714 H ASP 90 H ASP 90 -3.418 8.895 -4.665 715 HA ASP 90 HA ASP 90 -3.697 10.004 -7.305 716 HB2 ASP 90 2HB ASP 90 -5.642 9.904 -4.988 717 HB3 ASP 90 1HB ASP 90 -6.037 10.519 -6.586 718 H GLU 91 H GLU 91 -3.091 11.962 -7.838 719 HA GLU 91 HA GLU 91 -2.678 13.978 -5.802 720 HB2 GLU 91 2HB GLU 91 -1.675 15.310 -7.585 721 HB3 GLU 91 1HB GLU 91 -0.990 13.695 -7.558 722 HG2 GLU 91 2HG GLU 91 -3.199 14.465 -9.439 723 HG3 GLU 91 1HG GLU 91 -1.499 14.722 -9.820 724 H GLU 92 H GLU 92 -3.897 15.761 -5.486 725 HA GLU 92 HA GLU 92 -6.140 16.283 -7.282 726 HB2 GLU 92 2HB GLU 92 -6.390 15.722 -4.325 727 HB3 GLU 92 1HB GLU 92 -7.672 16.426 -5.301 728 HG2 GLU 92 2HG GLU 92 -7.827 14.412 -6.610 729 HG3 GLU 92 1HG GLU 92 -6.436 13.722 -5.768 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 -2.069 -9.943 -17.658 2 H2 GLY 1 2HT GLY 1 -1.569 -8.369 -18.009 3 H3 GLY 1 3HT GLY 1 -3.208 -8.768 -18.079 4 HA2 GLY 1 1HA GLY 1 -1.525 -8.720 -15.644 5 HA3 GLY 1 2HA GLY 1 -2.745 -7.531 -16.077 6 H SER 2 H SER 2 -4.967 -8.156 -16.053 7 HA SER 2 HA SER 2 -5.648 -9.562 -13.743 8 HB2 SER 2 2HB SER 2 -7.441 -8.920 -16.093 9 HB3 SER 2 1HB SER 2 -7.965 -9.266 -14.446 10 HG SER 2 HG SER 2 -7.053 -7.372 -13.751 11 H ALA 3 H ALA 3 -5.696 -10.629 -17.124 12 HA ALA 3 HA ALA 3 -6.803 -13.202 -16.387 13 HB1 ALA 3 1HB ALA 3 -7.432 -12.128 -18.512 14 HB2 ALA 3 2HB ALA 3 -6.717 -13.722 -18.750 15 HB3 ALA 3 3HB ALA 3 -5.762 -12.271 -19.060 16 H MET 4 H MET 4 -5.646 -14.823 -15.687 17 HA MET 4 HA MET 4 -4.048 -16.406 -15.495 18 HB2 MET 4 2HB MET 4 -3.724 -16.387 -17.887 19 HB3 MET 4 1HB MET 4 -2.703 -14.962 -17.778 20 HG2 MET 4 2HG MET 4 -1.390 -16.980 -18.118 21 HG3 MET 4 1HG MET 4 -1.022 -16.224 -16.571 22 HE1 MET 4 3HE MET 4 -4.185 -18.425 -17.469 23 HE2 MET 4 1HE MET 4 -3.595 -20.030 -17.043 24 HE3 MET 4 2HE MET 4 -2.871 -19.155 -18.391 25 H GLY 5 H GLY 5 -2.429 -13.265 -16.080 26 HA2 GLY 5 2HA GLY 5 -0.180 -13.886 -14.492 27 HA3 GLY 5 1HA GLY 5 -0.658 -12.279 -15.001 28 H HIS 6 H HIS 6 -3.115 -12.070 -13.721 29 HA HIS 6 HA HIS 6 -2.233 -11.459 -11.061 30 HB2 HIS 6 2HB HIS 6 -3.776 -10.004 -12.386 31 HB3 HIS 6 1HB HIS 6 -5.013 -11.245 -12.242 32 HD1 HIS 6 1HD HIS 6 -3.084 -8.756 -10.135 33 HD2 HIS 6 2HD HIS 6 -6.459 -11.190 -9.910 34 HE1 HIS 6 1HE HIS 6 -4.275 -8.089 -8.024 35 HE2 HIS 6 2HE HIS 6 -6.212 -9.686 -7.826 36 H MET 7 H MET 7 -1.757 -13.878 -10.842 37 HA MET 7 HA MET 7 -3.614 -14.885 -8.937 38 HB2 MET 7 2HB MET 7 -4.755 -15.691 -10.936 39 HB3 MET 7 1HB MET 7 -3.280 -16.462 -11.495 40 HG2 MET 7 2HG MET 7 -3.338 -18.008 -9.644 41 HG3 MET 7 1HG MET 7 -4.747 -17.191 -8.970 42 HE1 MET 7 3HE MET 7 -4.828 -19.438 -13.004 43 HE2 MET 7 1HE MET 7 -3.371 -19.240 -12.031 44 HE3 MET 7 2HE MET 7 -4.116 -17.838 -12.801 45 HA PRO 8 HA PRO 8 0.441 -17.510 -8.895 46 HB2 PRO 8 2HB PRO 8 2.275 -17.025 -10.848 47 HB3 PRO 8 1HB PRO 8 1.071 -18.313 -10.962 48 HG2 PRO 8 2HG PRO 8 1.030 -15.572 -12.164 49 HG3 PRO 8 1HG PRO 8 0.591 -17.123 -12.904 50 HD2 PRO 8 2HD PRO 8 -1.271 -15.418 -11.976 51 HD3 PRO 8 1HD PRO 8 -1.475 -17.177 -11.873 52 H ALA 9 H ALA 9 0.669 -14.366 -10.485 53 HA ALA 9 HA ALA 9 2.430 -13.438 -8.322 54 HB1 ALA 9 1HB ALA 9 2.007 -12.254 -11.069 55 HB2 ALA 9 2HB ALA 9 3.407 -13.196 -10.555 56 HB3 ALA 9 3HB ALA 9 3.089 -11.622 -9.826 57 H VAL 10 H VAL 10 1.404 -12.330 -6.820 58 HA VAL 10 HA VAL 10 -1.242 -11.248 -7.392 59 HB VAL 10 HB VAL 10 0.214 -11.470 -4.749 60 HG11 VAL 10 1HG1 VAL 10 -2.008 -11.117 -3.754 61 HG12 VAL 10 2HG1 VAL 10 -2.675 -10.853 -5.363 62 HG13 VAL 10 3HG1 VAL 10 -1.481 -9.732 -4.708 63 HG21 VAL 10 3HG2 VAL 10 -1.261 -13.379 -4.314 64 HG22 VAL 10 1HG2 VAL 10 -0.211 -13.664 -5.701 65 HG23 VAL 10 2HG2 VAL 10 -1.906 -13.247 -5.949 66 H ASP 11 H ASP 11 -1.419 -9.199 -7.982 67 HA ASP 11 HA ASP 11 0.397 -7.247 -6.752 68 HB2 ASP 11 2HB ASP 11 0.424 -5.934 -8.764 69 HB3 ASP 11 1HB ASP 11 0.844 -7.584 -9.201 70 H VAL 12 H VAL 12 -0.602 -5.895 -5.475 71 HA VAL 12 HA VAL 12 -3.473 -5.387 -5.924 72 HB VAL 12 HB VAL 12 -2.018 -5.653 -3.289 73 HG11 VAL 12 1HG1 VAL 12 -4.915 -5.028 -3.834 74 HG12 VAL 12 2HG1 VAL 12 -3.717 -3.918 -3.168 75 HG13 VAL 12 3HG1 VAL 12 -4.209 -5.341 -2.248 76 HG21 VAL 12 3HG2 VAL 12 -4.160 -7.363 -4.542 77 HG22 VAL 12 1HG2 VAL 12 -3.480 -7.584 -2.930 78 HG23 VAL 12 2HG2 VAL 12 -2.462 -7.797 -4.355 79 H GLU 13 H GLU 13 -4.028 -3.293 -6.141 80 HA GLU 13 HA GLU 13 -1.878 -1.353 -5.701 81 HB2 GLU 13 2HB GLU 13 -3.020 0.057 -7.391 82 HB3 GLU 13 1HB GLU 13 -2.466 -1.481 -8.027 83 HG2 GLU 13 2HG GLU 13 -5.303 -0.968 -7.173 84 HG3 GLU 13 1HG GLU 13 -4.718 -0.712 -8.814 85 H ILE 14 H ILE 14 -2.087 -0.217 -3.945 86 HA ILE 14 HA ILE 14 -4.777 0.528 -3.013 87 HB ILE 14 HB ILE 14 -2.266 1.098 -1.449 88 HG12 ILE 14 2HG1 ILE 14 -3.761 -1.545 -1.435 89 HG13 ILE 14 1HG1 ILE 14 -2.131 -1.304 -2.051 90 HG21 ILE 14 1HG2 ILE 14 -4.367 2.066 -0.720 91 HG22 ILE 14 2HG2 ILE 14 -3.798 0.868 0.441 92 HG23 ILE 14 3HG2 ILE 14 -5.107 0.466 -0.671 93 HD11 ILE 14 3HD1 ILE 14 -3.042 -1.059 0.818 94 HD12 ILE 14 1HD1 ILE 14 -1.418 -0.659 0.243 95 HD13 ILE 14 2HD1 ILE 14 -2.011 -2.315 0.124 96 H HIS 15 H HIS 15 -5.445 2.615 -3.243 97 HA HIS 15 HA HIS 15 -3.484 4.501 -4.358 98 HB2 HIS 15 2HB HIS 15 -6.493 4.445 -4.523 99 HB3 HIS 15 1HB HIS 15 -5.496 5.747 -5.158 100 HD1 HIS 15 1HD HIS 15 -6.471 2.191 -5.810 101 HD2 HIS 15 2HD HIS 15 -4.186 5.194 -7.553 102 HE1 HIS 15 1HE HIS 15 -5.959 1.385 -8.135 103 HE2 HIS 15 2HE HIS 15 -4.740 3.303 -9.226 104 H PHE 16 H PHE 16 -2.633 5.801 -2.904 105 HA PHE 16 HA PHE 16 -4.350 6.759 -0.713 106 HB2 PHE 16 2HB PHE 16 -1.341 6.538 -0.916 107 HB3 PHE 16 1HB PHE 16 -2.161 7.378 0.386 108 HD1 PHE 16 2HD PHE 16 -4.473 5.251 0.482 109 HD2 PHE 16 1HD PHE 16 -0.228 5.029 0.567 110 HE1 PHE 16 2HE PHE 16 -4.611 3.150 1.749 111 HE2 PHE 16 1HE PHE 16 -0.358 2.928 1.836 112 HZ PHE 16 HZ PHE 16 -2.553 1.986 2.431 113 HA PRO 17 HA PRO 17 -4.223 10.693 -2.917 114 HB2 PRO 17 2HB PRO 17 -5.437 11.595 -0.365 115 HB3 PRO 17 1HB PRO 17 -6.004 11.825 -2.022 116 HG2 PRO 17 2HG PRO 17 -7.214 10.098 -0.398 117 HG3 PRO 17 1HG PRO 17 -6.991 9.731 -2.119 118 HD2 PRO 17 2HD PRO 17 -5.454 8.724 0.250 119 HD3 PRO 17 1HD PRO 17 -5.983 7.852 -1.204 120 H LEU 18 H LEU 18 -2.444 11.797 -2.978 121 HA LEU 18 HA LEU 18 -0.313 11.642 -1.242 122 HB2 LEU 18 2HB LEU 18 -0.623 12.584 -3.692 123 HB3 LEU 18 1HB LEU 18 -0.750 14.119 -2.864 124 HG LEU 18 HG LEU 18 1.630 12.279 -2.603 125 HD11 LEU 18 1HD1 LEU 18 1.395 12.997 -4.913 126 HD12 LEU 18 2HD1 LEU 18 2.767 13.796 -4.143 127 HD13 LEU 18 3HD1 LEU 18 1.260 14.677 -4.389 128 HD21 LEU 18 3HD2 LEU 18 2.757 14.263 -1.745 129 HD22 LEU 18 1HD2 LEU 18 1.356 13.861 -0.755 130 HD23 LEU 18 2HD2 LEU 18 1.267 15.192 -1.907 131 H LYS 19 H LYS 19 -2.954 13.931 -1.282 132 HA LYS 19 HA LYS 19 -1.826 15.767 0.569 133 HB2 LYS 19 2HB LYS 19 -4.139 16.700 0.639 134 HB3 LYS 19 1HB LYS 19 -3.495 16.533 -0.988 135 HG2 LYS 19 2HG LYS 19 -4.785 14.478 -1.288 136 HG3 LYS 19 1HG LYS 19 -5.420 14.639 0.347 137 HD2 LYS 19 2HD LYS 19 -7.061 15.427 -1.224 138 HD3 LYS 19 1HD LYS 19 -6.442 16.806 -0.317 139 HE2 LYS 19 2HE LYS 19 -4.961 17.327 -2.203 140 HE3 LYS 19 1HE LYS 19 -5.627 15.946 -3.070 141 HZ1 LYS 19 3HZ LYS 19 -7.801 17.001 -3.005 142 HZ2 LYS 19 1HZ LYS 19 -6.668 17.987 -3.788 143 HZ3 LYS 19 2HZ LYS 19 -7.150 18.338 -2.203 144 H ARG 20 H ARG 20 -3.780 12.872 0.927 145 HA ARG 20 HA ARG 20 -4.484 13.589 3.672 146 HB2 ARG 20 2HB ARG 20 -5.270 11.243 1.952 147 HB3 ARG 20 1HB ARG 20 -5.786 11.460 3.616 148 HG2 ARG 20 2HG ARG 20 -6.402 13.335 1.347 149 HG3 ARG 20 1HG ARG 20 -7.480 12.106 2.006 150 HD2 ARG 20 2HD ARG 20 -8.099 14.199 2.955 151 HD3 ARG 20 1HD ARG 20 -7.337 13.228 4.204 152 HE ARG 20 HE ARG 20 -5.932 15.403 2.788 153 HH11 ARG 20 1HH1 ARG 20 -6.775 13.670 5.718 154 HH12 ARG 20 2HH1 ARG 20 -5.840 14.715 6.747 155 HH21 ARG 20 1HH2 ARG 20 -4.720 16.786 4.143 156 HH22 ARG 20 2HH2 ARG 20 -4.676 16.492 5.854 157 H ILE 21 H ILE 21 -2.601 11.182 1.914 158 HA ILE 21 HA ILE 21 -2.112 9.603 4.234 159 HB ILE 21 HB ILE 21 -2.002 8.590 2.021 160 HG12 ILE 21 2HG1 ILE 21 0.119 7.364 2.219 161 HG13 ILE 21 1HG1 ILE 21 0.726 8.583 3.334 162 HG21 ILE 21 1HG2 ILE 21 -0.140 9.067 0.485 163 HG22 ILE 21 2HG2 ILE 21 0.373 10.380 1.547 164 HG23 ILE 21 3HG2 ILE 21 -1.190 10.462 0.734 165 HD11 ILE 21 3HD1 ILE 21 -1.637 6.787 3.827 166 HD12 ILE 21 1HD1 ILE 21 -0.969 7.970 4.953 167 HD13 ILE 21 2HD1 ILE 21 -0.014 6.566 4.482 168 H ALA 22 H ALA 22 -0.749 12.425 2.859 169 HA ALA 22 HA ALA 22 1.824 12.340 4.038 170 HB1 ALA 22 1HB ALA 22 1.269 13.778 2.134 171 HB2 ALA 22 2HB ALA 22 1.946 14.696 3.478 172 HB3 ALA 22 3HB ALA 22 0.209 14.729 3.174 173 H ALA 23 H ALA 23 -1.315 13.146 5.188 174 HA ALA 23 HA ALA 23 -0.416 14.770 7.404 175 HB1 ALA 23 1HB ALA 23 -3.161 13.688 6.770 176 HB2 ALA 23 2HB ALA 23 -2.534 15.258 6.268 177 HB3 ALA 23 3HB ALA 23 -2.778 14.912 7.980 178 H GLU 24 H GLU 24 -0.882 14.242 9.615 179 HA GLU 24 HA GLU 24 -0.089 11.526 10.200 180 HB2 GLU 24 2HB GLU 24 -0.586 13.881 12.032 181 HB3 GLU 24 1HB GLU 24 0.086 12.335 12.533 182 HG2 GLU 24 2HG GLU 24 2.013 12.692 11.086 183 HG3 GLU 24 1HG GLU 24 1.338 14.232 10.559 184 H GLY 25 H GLY 25 -2.927 13.534 10.470 185 HA2 GLY 25 2HA GLY 25 -4.354 11.485 11.992 186 HA3 GLY 25 1HA GLY 25 -4.956 13.086 11.590 187 H TYR 26 H TYR 26 -3.681 10.402 9.638 188 HA TYR 26 HA TYR 26 -5.522 10.981 7.535 189 HB2 TYR 26 2HB TYR 26 -4.527 8.951 6.440 190 HB3 TYR 26 1HB TYR 26 -3.352 10.173 6.925 191 HD1 TYR 26 2HD TYR 26 -4.922 7.049 8.288 192 HD2 TYR 26 1HD TYR 26 -1.444 9.480 8.020 193 HE1 TYR 26 2HE TYR 26 -3.654 5.360 9.542 194 HE2 TYR 26 1HE TYR 26 -0.168 7.795 9.270 195 HH TYR 26 HH TYR 26 -0.577 5.958 10.847 196 H ALA 27 H ALA 27 -5.690 9.046 10.340 197 HA ALA 27 HA ALA 27 -7.356 6.958 9.390 198 HB1 ALA 27 1HB ALA 27 -7.102 8.022 12.198 199 HB2 ALA 27 2HB ALA 27 -6.072 6.789 11.472 200 HB3 ALA 27 3HB ALA 27 -7.785 6.467 11.728 201 H GLU 28 H GLU 28 -7.954 10.227 9.953 202 HA GLU 28 HA GLU 28 -10.726 9.999 10.639 203 HB2 GLU 28 2HB GLU 28 -9.260 11.968 11.189 204 HB3 GLU 28 1HB GLU 28 -9.270 12.383 9.481 205 HG2 GLU 28 2HG GLU 28 -10.873 13.726 10.673 206 HG3 GLU 28 1HG GLU 28 -11.710 12.632 9.571 207 H ASP 29 H ASP 29 -8.869 9.901 7.738 208 HA ASP 29 HA ASP 29 -11.028 10.775 6.042 209 HB2 ASP 29 2HB ASP 29 -8.170 9.962 5.555 210 HB3 ASP 29 1HB ASP 29 -9.315 10.120 4.219 211 H GLU 30 H GLU 30 -12.627 9.517 5.547 212 HA GLU 30 HA GLU 30 -12.651 6.750 6.062 213 HB2 GLU 30 2HB GLU 30 -14.642 8.233 6.162 214 HB3 GLU 30 1HB GLU 30 -14.613 8.334 4.407 215 HG2 GLU 30 2HG GLU 30 -15.064 5.996 4.198 216 HG3 GLU 30 1HG GLU 30 -14.887 5.760 5.935 217 H LEU 31 H LEU 31 -11.876 8.564 3.186 218 HA LEU 31 HA LEU 31 -12.226 6.654 1.203 219 HB2 LEU 31 2HB LEU 31 -10.119 7.669 0.200 220 HB3 LEU 31 1HB LEU 31 -11.483 8.750 0.441 221 HG LEU 31 HG LEU 31 -10.070 9.120 2.736 222 HD11 LEU 31 1HD1 LEU 31 -8.038 8.642 0.559 223 HD12 LEU 31 2HD1 LEU 31 -8.323 7.565 1.924 224 HD13 LEU 31 3HD1 LEU 31 -7.713 9.202 2.202 225 HD21 LEU 31 3HD2 LEU 31 -10.926 10.855 1.221 226 HD22 LEU 31 1HD2 LEU 31 -9.594 10.533 0.112 227 HD23 LEU 31 2HD2 LEU 31 -9.267 11.179 1.721 228 H LEU 32 H LEU 32 -9.717 7.052 3.546 229 HA LEU 32 HA LEU 32 -7.886 5.208 2.446 230 HB2 LEU 32 2HB LEU 32 -7.552 7.300 3.780 231 HB3 LEU 32 1HB LEU 32 -8.100 6.417 5.190 232 HG LEU 32 HG LEU 32 -6.184 4.819 4.726 233 HD11 LEU 32 1HD1 LEU 32 -4.300 5.758 3.485 234 HD12 LEU 32 2HD1 LEU 32 -5.298 7.141 3.036 235 HD13 LEU 32 3HD1 LEU 32 -5.708 5.528 2.450 236 HD21 LEU 32 3HD2 LEU 32 -5.626 7.654 5.521 237 HD22 LEU 32 1HD2 LEU 32 -4.575 6.279 5.857 238 HD23 LEU 32 2HD2 LEU 32 -6.181 6.357 6.580 239 H LEU 33 H LEU 33 -10.468 5.162 4.770 240 HA LEU 33 HA LEU 33 -10.030 2.546 5.796 241 HB2 LEU 33 2HB LEU 33 -11.493 4.418 6.758 242 HB3 LEU 33 1HB LEU 33 -12.684 3.963 5.562 243 HG LEU 33 HG LEU 33 -11.627 1.987 7.578 244 HD11 LEU 33 1HD1 LEU 33 -13.603 2.493 8.934 245 HD12 LEU 33 2HD1 LEU 33 -14.003 3.824 7.850 246 HD13 LEU 33 3HD1 LEU 33 -12.525 3.880 8.809 247 HD21 LEU 33 3HD2 LEU 33 -13.751 0.853 7.132 248 HD22 LEU 33 1HD2 LEU 33 -12.810 1.051 5.655 249 HD23 LEU 33 2HD2 LEU 33 -14.183 2.110 5.972 250 H ASN 34 H ASN 34 -12.051 3.890 3.196 251 HA ASN 34 HA ASN 34 -13.154 1.465 2.294 252 HB2 ASN 34 2HB ASN 34 -12.590 4.057 0.852 253 HB3 ASN 34 1HB ASN 34 -13.356 2.688 0.056 254 HD21 ASN 34 1HD2 ASN 34 -13.741 5.304 2.240 255 HD22 ASN 34 2HD2 ASN 34 -15.444 5.124 2.495 256 H GLN 35 H GLN 35 -10.131 3.087 1.520 257 HA GLN 35 HA GLN 35 -9.362 1.436 -0.609 258 HB2 GLN 35 2HB GLN 35 -7.893 3.202 1.298 259 HB3 GLN 35 1HB GLN 35 -7.006 2.203 0.151 260 HG2 GLN 35 2HG GLN 35 -7.676 3.403 -1.635 261 HG3 GLN 35 1HG GLN 35 -9.229 3.814 -0.921 262 HE21 GLN 35 1HE2 GLN 35 -9.020 5.968 -1.480 263 HE22 GLN 35 2HE2 GLN 35 -7.864 7.015 -0.740 264 H MET 36 H MET 36 -8.618 1.292 2.856 265 HA MET 36 HA MET 36 -7.399 -1.332 2.469 266 HB2 MET 36 2HB MET 36 -7.579 0.386 4.950 267 HB3 MET 36 1HB MET 36 -6.732 -1.151 4.839 268 HG2 MET 36 2HG MET 36 -6.057 1.449 3.505 269 HG3 MET 36 1HG MET 36 -5.085 0.507 4.634 270 HE1 MET 36 3HE MET 36 -5.221 -2.340 3.752 271 HE2 MET 36 1HE MET 36 -3.569 -1.723 3.796 272 HE3 MET 36 2HE MET 36 -4.141 -2.607 2.383 273 H GLY 37 H GLY 37 -10.398 -0.404 2.556 274 HA2 GLY 37 2HA GLY 37 -11.264 -2.768 4.070 275 HA3 GLY 37 1HA GLY 37 -12.323 -1.520 3.419 276 H LYS 38 H LYS 38 -10.738 -1.499 0.921 277 HA LYS 38 HA LYS 38 -12.193 -3.558 -0.476 278 HB2 LYS 38 2HB LYS 38 -11.917 -1.284 -1.412 279 HB3 LYS 38 1HB LYS 38 -10.178 -1.554 -1.497 280 HG2 LYS 38 2HG LYS 38 -10.630 -3.478 -3.021 281 HG3 LYS 38 1HG LYS 38 -12.327 -3.001 -3.036 282 HD2 LYS 38 2HD LYS 38 -11.700 -0.816 -3.947 283 HD3 LYS 38 1HD LYS 38 -10.002 -1.299 -3.934 284 HE2 LYS 38 2HE LYS 38 -12.211 -2.610 -5.517 285 HE3 LYS 38 1HE LYS 38 -10.969 -1.541 -6.162 286 HZ1 LYS 38 3HZ LYS 38 -10.429 -3.862 -6.550 287 HZ2 LYS 38 1HZ LYS 38 -10.483 -4.182 -4.892 288 HZ3 LYS 38 2HZ LYS 38 -9.291 -3.160 -5.521 289 H VAL 39 H VAL 39 -8.747 -2.612 -0.450 290 HA VAL 39 HA VAL 39 -8.117 -5.298 -1.472 291 HB VAL 39 HB VAL 39 -5.948 -4.315 -2.158 292 HG11 VAL 39 1HG1 VAL 39 -7.763 -4.412 -3.754 293 HG12 VAL 39 2HG1 VAL 39 -6.838 -2.929 -3.989 294 HG13 VAL 39 3HG1 VAL 39 -8.396 -2.876 -3.166 295 HG21 VAL 39 3HG2 VAL 39 -5.735 -2.550 -0.521 296 HG22 VAL 39 1HG2 VAL 39 -7.159 -1.736 -1.169 297 HG23 VAL 39 2HG2 VAL 39 -5.697 -1.859 -2.145 298 H ASN 40 H ASN 40 -8.654 -5.368 1.142 299 HA ASN 40 HA ASN 40 -6.031 -5.602 2.426 300 HB2 ASN 40 2HB ASN 40 -7.047 -3.383 2.935 301 HB3 ASN 40 1HB ASN 40 -8.397 -4.221 3.687 302 HD21 ASN 40 1HD2 ASN 40 -5.019 -5.133 3.864 303 HD22 ASN 40 2HD2 ASN 40 -4.859 -4.908 5.562 304 H ASP 41 H ASP 41 -9.207 -6.738 1.956 305 HA ASP 41 HA ASP 41 -9.487 -8.195 4.391 306 HB2 ASP 41 2HB ASP 41 -11.445 -7.485 3.099 307 HB3 ASP 41 1HB ASP 41 -10.931 -8.483 1.743 308 H THR 42 H THR 42 -8.392 -8.958 1.126 309 HA THR 42 HA THR 42 -7.249 -11.445 2.203 310 HB THR 42 HB THR 42 -7.498 -12.392 -0.141 311 HG1 THR 42 1HG THR 42 -8.270 -11.067 -1.580 312 HG21 THR 42 3HG2 THR 42 -8.920 -13.126 1.700 313 HG22 THR 42 1HG2 THR 42 -9.841 -13.048 0.199 314 HG23 THR 42 2HG2 THR 42 -10.018 -11.776 1.407 315 HA PRO 43 HA PRO 43 -3.913 -8.957 0.189 316 HB2 PRO 43 2HB PRO 43 -2.526 -8.194 2.323 317 HB3 PRO 43 1HB PRO 43 -4.038 -7.385 1.894 318 HG2 PRO 43 2HG PRO 43 -3.483 -9.347 4.058 319 HG3 PRO 43 1HG PRO 43 -4.623 -7.992 4.027 320 HD2 PRO 43 2HD PRO 43 -5.205 -10.723 3.547 321 HD3 PRO 43 1HD PRO 43 -6.294 -9.343 3.313 322 H GLU 44 H GLU 44 -4.210 -11.857 1.460 323 HA GLU 44 HA GLU 44 -3.033 -13.764 1.374 324 HB2 GLU 44 2HB GLU 44 -1.964 -12.815 -0.664 325 HB3 GLU 44 1HB GLU 44 -0.674 -12.190 0.355 326 HG2 GLU 44 2HG GLU 44 0.044 -14.367 0.943 327 HG3 GLU 44 1HG GLU 44 -1.397 -15.104 0.251 328 H GLU 45 H GLU 45 -1.221 -11.057 2.784 329 HA GLU 45 HA GLU 45 0.239 -12.746 4.580 330 HB2 GLU 45 2HB GLU 45 -0.266 -9.777 4.640 331 HB3 GLU 45 1HB GLU 45 0.743 -10.613 5.802 332 HG2 GLU 45 2HG GLU 45 2.129 -11.383 3.832 333 HG3 GLU 45 1HG GLU 45 1.221 -10.213 2.871 334 H GLU 46 H GLU 46 -1.962 -10.132 5.566 335 HA GLU 46 HA GLU 46 -3.227 -11.953 7.472 336 HB2 GLU 46 2HB GLU 46 -1.995 -9.301 8.240 337 HB3 GLU 46 1HB GLU 46 -2.951 -10.325 9.300 338 HG2 GLU 46 2HG GLU 46 -1.250 -12.084 9.105 339 HG3 GLU 46 1HG GLU 46 -0.285 -11.016 8.086 340 H GLY 47 H GLY 47 -3.284 -8.416 7.250 341 HA2 GLY 47 2HA GLY 47 -5.402 -7.816 5.736 342 HA3 GLY 47 1HA GLY 47 -6.180 -8.505 7.147 343 H MET 48 H MET 48 -6.102 -7.369 9.112 344 HA MET 48 HA MET 48 -6.295 -4.611 8.767 345 HB2 MET 48 2HB MET 48 -7.655 -5.739 10.397 346 HB3 MET 48 1HB MET 48 -6.234 -6.291 11.270 347 HG2 MET 48 2HG MET 48 -6.786 -3.376 10.925 348 HG3 MET 48 1HG MET 48 -7.574 -4.310 12.195 349 HE1 MET 48 3HE MET 48 -5.517 -1.730 12.250 350 HE2 MET 48 1HE MET 48 -4.663 -2.065 13.756 351 HE3 MET 48 2HE MET 48 -6.410 -2.288 13.662 352 HA PRO 49 HA PRO 49 -2.145 -4.213 11.151 353 HB2 PRO 49 2HB PRO 49 -0.387 -6.277 10.948 354 HB3 PRO 49 1HB PRO 49 -1.518 -6.108 12.293 355 HG2 PRO 49 2HG PRO 49 -1.662 -7.877 9.907 356 HG3 PRO 49 1HG PRO 49 -2.185 -8.185 11.568 357 HD2 PRO 49 2HD PRO 49 -3.868 -7.532 9.509 358 HD3 PRO 49 1HD PRO 49 -4.227 -7.261 11.214 359 H LEU 50 H LEU 50 -2.489 -6.085 8.280 360 HA LEU 50 HA LEU 50 -0.339 -5.236 6.729 361 HB2 LEU 50 2HB LEU 50 -3.093 -6.218 6.262 362 HB3 LEU 50 1HB LEU 50 -2.308 -5.435 4.918 363 HG LEU 50 HG LEU 50 -2.203 -8.068 5.407 364 HD11 LEU 50 1HD1 LEU 50 0.030 -6.413 4.201 365 HD12 LEU 50 2HD1 LEU 50 -1.475 -6.838 3.386 366 HD13 LEU 50 3HD1 LEU 50 -0.329 -8.099 3.837 367 HD21 LEU 50 3HD2 LEU 50 0.389 -7.026 6.543 368 HD22 LEU 50 1HD2 LEU 50 -0.099 -8.707 6.353 369 HD23 LEU 50 2HD2 LEU 50 -0.926 -7.675 7.518 370 H ARG 51 H ARG 51 -3.546 -3.862 7.171 371 HA ARG 51 HA ARG 51 -3.244 -1.582 5.599 372 HB2 ARG 51 2HB ARG 51 -5.405 -1.973 6.134 373 HB3 ARG 51 1HB ARG 51 -5.042 -2.494 7.766 374 HG2 ARG 51 2HG ARG 51 -4.712 -0.118 8.387 375 HG3 ARG 51 1HG ARG 51 -5.215 0.338 6.756 376 HD2 ARG 51 2HD ARG 51 -7.366 -0.742 7.095 377 HD3 ARG 51 1HD ARG 51 -6.865 -1.276 8.696 378 HE ARG 51 HE ARG 51 -6.644 1.513 8.591 379 HH11 ARG 51 1HH1 ARG 51 -9.117 -0.969 8.514 380 HH12 ARG 51 2HH1 ARG 51 -10.329 0.031 9.248 381 HH21 ARG 51 1HH2 ARG 51 -8.251 2.835 9.547 382 HH22 ARG 51 2HH2 ARG 51 -9.832 2.194 9.841 383 H ALA 52 H ALA 52 -2.723 -2.018 9.074 384 HA ALA 52 HA ALA 52 -2.016 0.606 9.654 385 HB1 ALA 52 1HB ALA 52 -1.048 -0.263 11.695 386 HB2 ALA 52 2HB ALA 52 -1.012 -1.890 11.018 387 HB3 ALA 52 3HB ALA 52 -2.559 -1.105 11.342 388 H TRP 53 H TRP 53 0.131 -2.156 8.816 389 HA TRP 53 HA TRP 53 2.452 -0.502 9.011 390 HB2 TRP 53 2HB TRP 53 3.744 -2.373 8.549 391 HB3 TRP 53 1HB TRP 53 2.321 -3.069 9.295 392 HD1 TRP 53 HD TRP 53 1.019 -4.849 7.962 393 HE1 TRP 53 1HE TRP 53 1.307 -5.931 5.638 394 HE3 TRP 53 3HE TRP 53 4.601 -1.761 6.030 395 HZ2 TRP 53 2HZ TRP 53 2.832 -5.550 3.335 396 HZ3 TRP 53 3HZ TRP 53 5.436 -2.207 3.759 397 HH2 TRP 53 HH TRP 53 4.558 -4.067 2.440 398 H VAL 54 H VAL 54 0.380 -1.528 6.360 399 HA VAL 54 HA VAL 54 2.198 -0.771 4.316 400 HB VAL 54 HB VAL 54 0.083 -2.328 4.246 401 HG11 VAL 54 1HG1 VAL 54 -1.065 0.306 3.360 402 HG12 VAL 54 2HG1 VAL 54 -1.606 -0.694 4.708 403 HG13 VAL 54 3HG1 VAL 54 -1.799 -1.268 3.050 404 HG21 VAL 54 3HG2 VAL 54 0.034 -2.086 1.788 405 HG22 VAL 54 1HG2 VAL 54 1.665 -2.157 2.453 406 HG23 VAL 54 2HG2 VAL 54 0.986 -0.611 1.946 407 H ILE 55 H ILE 55 -0.589 0.827 5.816 408 HA ILE 55 HA ILE 55 -0.371 3.236 4.377 409 HB ILE 55 HB ILE 55 -1.505 2.592 7.092 410 HG12 ILE 55 2HG1 ILE 55 -2.775 3.204 4.418 411 HG13 ILE 55 1HG1 ILE 55 -2.602 1.603 5.131 412 HG21 ILE 55 1HG2 ILE 55 -2.591 4.767 7.069 413 HG22 ILE 55 2HG2 ILE 55 -1.723 5.196 5.592 414 HG23 ILE 55 3HG2 ILE 55 -0.835 4.932 7.094 415 HD11 ILE 55 3HD1 ILE 55 -4.083 2.240 6.944 416 HD12 ILE 55 1HD1 ILE 55 -4.858 2.479 5.377 417 HD13 ILE 55 2HD1 ILE 55 -4.228 3.864 6.269 418 H LYS 56 H LYS 56 1.094 2.157 7.422 419 HA LYS 56 HA LYS 56 2.423 4.546 8.064 420 HB2 LYS 56 2HB LYS 56 2.257 2.894 9.748 421 HB3 LYS 56 1HB LYS 56 2.964 1.659 8.718 422 HG2 LYS 56 2HG LYS 56 5.128 2.703 8.870 423 HG3 LYS 56 1HG LYS 56 4.448 4.048 9.789 424 HD2 LYS 56 2HD LYS 56 3.980 2.655 11.649 425 HD3 LYS 56 1HD LYS 56 4.290 1.190 10.718 426 HE2 LYS 56 2HE LYS 56 6.113 1.848 12.311 427 HE3 LYS 56 1HE LYS 56 6.622 1.631 10.639 428 HZ1 LYS 56 3HZ LYS 56 5.971 4.275 11.811 429 HZ2 LYS 56 1HZ LYS 56 6.712 3.961 10.320 430 HZ3 LYS 56 2HZ LYS 56 7.537 3.636 11.766 431 H CYS 57 H CYS 57 3.571 1.696 6.270 432 HA CYS 57 HA CYS 57 6.173 2.646 5.802 433 HB2 CYS 57 2HB CYS 57 5.535 0.286 5.553 434 HB3 CYS 57 1HB CYS 57 4.543 0.697 4.160 435 HG CYS 57 HG CYS 57 7.399 1.891 3.385 436 H ALA 58 H ALA 58 3.243 2.803 3.778 437 HA ALA 58 HA ALA 58 4.449 4.137 1.604 438 HB1 ALA 58 1HB ALA 58 1.569 4.218 2.498 439 HB2 ALA 58 2HB ALA 58 2.285 3.009 1.432 440 HB3 ALA 58 3HB ALA 58 2.176 4.690 0.912 441 H HIS 59 H HIS 59 2.990 5.261 4.584 442 HA HIS 59 HA HIS 59 2.897 8.016 4.027 443 HB2 HIS 59 2HB HIS 59 1.856 6.733 5.984 444 HB3 HIS 59 1HB HIS 59 3.443 6.785 6.735 445 HD1 HIS 59 1HD HIS 59 1.216 8.066 8.238 446 HD2 HIS 59 2HD HIS 59 3.451 10.126 5.425 447 HE1 HIS 59 1HE HIS 59 0.890 10.492 8.780 448 HE2 HIS 59 2HE HIS 59 2.134 11.725 6.972 449 H GLU 60 H GLU 60 5.371 6.057 5.674 450 HA GLU 60 HA GLU 60 7.216 8.169 6.020 451 HB2 GLU 60 2HB GLU 60 7.703 5.188 5.887 452 HB3 GLU 60 1HB GLU 60 8.856 6.378 6.475 453 HG2 GLU 60 2HG GLU 60 7.277 6.996 8.253 454 HG3 GLU 60 1HG GLU 60 6.176 5.745 7.684 455 H ALA 61 H ALA 61 6.679 5.860 3.434 456 HA ALA 61 HA ALA 61 9.016 6.387 1.946 457 HB1 ALA 61 1HB ALA 61 7.849 5.331 0.088 458 HB2 ALA 61 2HB ALA 61 6.320 5.467 0.954 459 HB3 ALA 61 3HB ALA 61 7.595 4.421 1.576 460 H LEU 62 H LEU 62 5.769 7.791 1.843 461 HA LEU 62 HA LEU 62 6.296 9.484 -0.378 462 HB2 LEU 62 2HB LEU 62 4.038 8.853 0.103 463 HB3 LEU 62 1HB LEU 62 4.141 9.508 1.723 464 HG LEU 62 HG LEU 62 4.616 11.468 -0.429 465 HD11 LEU 62 1HD1 LEU 62 2.198 11.705 -0.874 466 HD12 LEU 62 2HD1 LEU 62 1.925 10.178 -0.033 467 HD13 LEU 62 3HD1 LEU 62 2.884 10.213 -1.514 468 HD21 LEU 62 3HD2 LEU 62 2.845 11.440 2.014 469 HD22 LEU 62 1HD2 LEU 62 3.192 12.840 1.000 470 HD23 LEU 62 2HD2 LEU 62 4.484 12.087 1.934 471 H GLU 63 H GLU 63 6.171 10.060 3.121 472 HA GLU 63 HA GLU 63 6.574 12.846 2.926 473 HB2 GLU 63 2HB GLU 63 6.756 10.845 5.140 474 HB3 GLU 63 1HB GLU 63 7.342 12.481 5.405 475 HG2 GLU 63 2HG GLU 63 4.565 11.850 4.423 476 HG3 GLU 63 1HG GLU 63 4.986 12.062 6.124 477 H LYS 64 H LYS 64 8.785 10.176 2.870 478 HA LYS 64 HA LYS 64 11.152 11.563 3.567 479 HB2 LYS 64 2HB LYS 64 10.967 9.091 3.499 480 HB3 LYS 64 1HB LYS 64 10.823 9.165 1.750 481 HG2 LYS 64 2HG LYS 64 13.059 8.554 2.280 482 HG3 LYS 64 1HG LYS 64 13.085 10.211 1.675 483 HD2 LYS 64 2HD LYS 64 13.089 10.999 4.041 484 HD3 LYS 64 1HD LYS 64 13.242 9.318 4.553 485 HE2 LYS 64 2HE LYS 64 15.190 10.872 2.853 486 HE3 LYS 64 1HE LYS 64 15.413 10.396 4.534 487 HZ1 LYS 64 3HZ LYS 64 15.333 8.070 3.824 488 HZ2 LYS 64 1HZ LYS 64 16.596 8.911 3.078 489 HZ3 LYS 64 2HZ LYS 64 15.188 8.562 2.212 490 H ASN 65 H ASN 65 9.330 11.235 0.626 491 HA ASN 65 HA ASN 65 10.879 13.324 -0.640 492 HB2 ASN 65 2HB ASN 65 11.116 11.888 -2.750 493 HB3 ASN 65 1HB ASN 65 12.210 11.532 -1.420 494 HD21 ASN 65 1HD2 ASN 65 9.355 10.488 -3.116 495 HD22 ASN 65 2HD2 ASN 65 9.408 8.834 -2.628 496 HA PRO 66 HA PRO 66 6.302 13.110 -1.216 497 HB2 PRO 66 2HB PRO 66 5.670 15.576 -0.384 498 HB3 PRO 66 1HB PRO 66 6.081 14.290 0.751 499 HG2 PRO 66 2HG PRO 66 7.791 16.525 -0.271 500 HG3 PRO 66 1HG PRO 66 7.625 15.912 1.384 501 HD2 PRO 66 2HD PRO 66 9.677 15.227 -0.291 502 HD3 PRO 66 1HD PRO 66 9.089 14.188 1.022 503 H LYS 67 H LYS 67 8.186 13.669 -3.368 504 HA LYS 67 HA LYS 67 6.389 15.362 -4.964 505 HB2 LYS 67 2HB LYS 67 9.410 15.301 -5.135 506 HB3 LYS 67 1HB LYS 67 8.376 16.034 -6.348 507 HG2 LYS 67 2HG LYS 67 9.019 17.846 -5.086 508 HG3 LYS 67 1HG LYS 67 7.461 17.438 -4.375 509 HD2 LYS 67 2HD LYS 67 9.020 17.893 -2.609 510 HD3 LYS 67 1HD LYS 67 8.667 16.166 -2.612 511 HE2 LYS 67 2HE LYS 67 11.045 16.567 -2.279 512 HE3 LYS 67 1HE LYS 67 10.760 15.739 -3.806 513 HZ1 LYS 67 3HZ LYS 67 12.379 17.511 -4.050 514 HZ2 LYS 67 1HZ LYS 67 11.263 18.649 -3.487 515 HZ3 LYS 67 2HZ LYS 67 10.996 17.853 -4.957 516 H ILE 68 H ILE 68 6.350 12.553 -4.529 517 HA ILE 68 HA ILE 68 7.231 11.481 -7.116 518 HB ILE 68 HB ILE 68 6.747 9.242 -6.062 519 HG12 ILE 68 2HG1 ILE 68 6.765 10.846 -3.488 520 HG13 ILE 68 1HG1 ILE 68 5.311 10.173 -4.222 521 HG21 ILE 68 1HG2 ILE 68 8.867 9.284 -4.759 522 HG22 ILE 68 2HG2 ILE 68 8.882 11.039 -4.951 523 HG23 ILE 68 3HG2 ILE 68 8.982 9.994 -6.366 524 HD11 ILE 68 3HD1 ILE 68 7.677 8.620 -3.209 525 HD12 ILE 68 1HD1 ILE 68 6.246 7.929 -3.970 526 HD13 ILE 68 2HD1 ILE 68 6.104 8.768 -2.426 527 H ARG 69 H ARG 69 5.678 9.389 -7.517 528 HA ARG 69 HA ARG 69 2.973 10.561 -7.758 529 HB2 ARG 69 2HB ARG 69 4.165 8.557 -9.660 530 HB3 ARG 69 1HB ARG 69 2.697 9.492 -9.869 531 HG2 ARG 69 2HG ARG 69 4.022 11.525 -10.096 532 HG3 ARG 69 1HG ARG 69 5.499 10.579 -9.881 533 HD2 ARG 69 2HD ARG 69 3.525 10.466 -12.144 534 HD3 ARG 69 1HD ARG 69 5.246 10.844 -12.211 535 HE ARG 69 HE ARG 69 4.472 8.167 -11.312 536 HH11 ARG 69 1HH1 ARG 69 5.745 10.204 -13.865 537 HH12 ARG 69 2HH1 ARG 69 6.397 8.877 -14.771 538 HH21 ARG 69 1HH2 ARG 69 5.329 6.428 -12.493 539 HH22 ARG 69 2HH2 ARG 69 6.180 6.726 -13.976 540 H GLU 70 H GLU 70 4.767 7.506 -7.725 541 HA GLU 70 HA GLU 70 2.853 6.322 -5.935 542 HB2 GLU 70 2HB GLU 70 2.247 4.469 -7.386 543 HB3 GLU 70 1HB GLU 70 1.769 5.993 -8.122 544 HG2 GLU 70 2HG GLU 70 4.273 4.478 -8.841 545 HG3 GLU 70 1HG GLU 70 2.740 4.302 -9.686 546 H VAL 71 H VAL 71 3.540 4.117 -5.279 547 HA VAL 71 HA VAL 71 6.419 3.683 -5.689 548 HB VAL 71 HB VAL 71 6.684 3.102 -3.300 549 HG11 VAL 71 1HG1 VAL 71 5.711 5.904 -3.819 550 HG12 VAL 71 2HG1 VAL 71 7.350 5.300 -4.063 551 HG13 VAL 71 3HG1 VAL 71 6.679 5.398 -2.434 552 HG21 VAL 71 3HG2 VAL 71 4.981 3.831 -1.682 553 HG22 VAL 71 1HG2 VAL 71 4.390 2.553 -2.746 554 HG23 VAL 71 2HG2 VAL 71 3.900 4.225 -3.019 555 H TYR 72 H TYR 72 7.156 1.556 -5.220 556 HA TYR 72 HA TYR 72 5.037 -0.478 -5.332 557 HB2 TYR 72 2HB TYR 72 7.886 -0.532 -6.341 558 HB3 TYR 72 1HB TYR 72 6.902 -1.983 -6.191 559 HD1 TYR 72 2HD TYR 72 7.259 1.225 -7.979 560 HD2 TYR 72 1HD TYR 72 5.188 -2.484 -7.769 561 HE1 TYR 72 2HE TYR 72 6.295 1.644 -10.199 562 HE2 TYR 72 1HE TYR 72 4.217 -2.077 -9.991 563 HH TYR 72 HH TYR 72 5.303 0.454 -12.042 564 H LEU 73 H LEU 73 4.652 -1.452 -3.615 565 HA LEU 73 HA LEU 73 6.634 -1.433 -1.462 566 HB2 LEU 73 2HB LEU 73 4.781 -0.005 -0.983 567 HB3 LEU 73 1HB LEU 73 3.633 -1.231 -1.479 568 HG LEU 73 HG LEU 73 5.414 -1.908 0.763 569 HD11 LEU 73 1HD1 LEU 73 3.123 0.042 0.995 570 HD12 LEU 73 2HD1 LEU 73 4.816 0.356 1.384 571 HD13 LEU 73 3HD1 LEU 73 3.880 -0.782 2.359 572 HD21 LEU 73 3HD2 LEU 73 3.836 -3.510 -0.017 573 HD22 LEU 73 1HD2 LEU 73 2.528 -2.331 0.078 574 HD23 LEU 73 2HD2 LEU 73 3.285 -2.914 1.551 575 H LYS 74 H LYS 74 7.026 -3.305 -0.337 576 HA LYS 74 HA LYS 74 5.879 -5.727 -1.557 577 HB2 LYS 74 2HB LYS 74 8.449 -4.973 -1.772 578 HB3 LYS 74 1HB LYS 74 8.544 -5.838 -0.245 579 HG2 LYS 74 2HG LYS 74 7.284 -7.088 -2.655 580 HG3 LYS 74 1HG LYS 74 9.030 -7.111 -2.417 581 HD2 LYS 74 2HD LYS 74 8.823 -8.359 -0.407 582 HD3 LYS 74 1HD LYS 74 7.076 -8.112 -0.355 583 HE2 LYS 74 2HE LYS 74 7.725 -10.376 -1.125 584 HE3 LYS 74 1HE LYS 74 6.772 -9.479 -2.307 585 HZ1 LYS 74 3HZ LYS 74 9.720 -9.864 -2.339 586 HZ2 LYS 74 1HZ LYS 74 8.864 -8.903 -3.435 587 HZ3 LYS 74 2HZ LYS 74 8.605 -10.569 -3.397 588 HA PRO 75 HA PRO 75 4.070 -6.759 2.385 589 HB2 PRO 75 2HB PRO 75 4.815 -9.457 1.317 590 HB3 PRO 75 1HB PRO 75 3.311 -8.933 2.087 591 HG2 PRO 75 2HG PRO 75 3.417 -9.167 -0.533 592 HG3 PRO 75 1HG PRO 75 2.596 -7.783 0.197 593 HD2 PRO 75 2HD PRO 75 5.235 -7.912 -1.165 594 HD3 PRO 75 1HD PRO 75 4.044 -6.602 -1.119 595 H ARG 76 H ARG 76 4.684 -7.513 4.376 596 HA ARG 76 HA ARG 76 7.456 -7.395 4.994 597 HB2 ARG 76 2HB ARG 76 5.217 -8.437 6.733 598 HB3 ARG 76 1HB ARG 76 6.781 -7.846 7.272 599 HG2 ARG 76 2HG ARG 76 6.216 -5.608 6.497 600 HG3 ARG 76 1HG ARG 76 4.651 -6.197 5.932 601 HD2 ARG 76 2HD ARG 76 4.348 -5.131 8.058 602 HD3 ARG 76 1HD ARG 76 4.127 -6.866 8.262 603 HE ARG 76 HE ARG 76 6.738 -6.505 8.869 604 HH11 ARG 76 1HH1 ARG 76 3.782 -5.009 9.988 605 HH12 ARG 76 2HH1 ARG 76 4.410 -4.625 11.555 606 HH21 ARG 76 1HH2 ARG 76 7.572 -6.028 10.935 607 HH22 ARG 76 2HH2 ARG 76 6.570 -5.234 12.106 608 H ALA 77 H ALA 77 5.081 -9.965 4.706 609 HA ALA 77 HA ALA 77 6.932 -12.078 5.259 610 HB1 ALA 77 1HB ALA 77 4.536 -12.381 5.609 611 HB2 ALA 77 2HB ALA 77 5.148 -13.549 4.437 612 HB3 ALA 77 3HB ALA 77 4.244 -12.138 3.887 613 H VAL 78 H VAL 78 8.612 -11.231 3.845 614 HA VAL 78 HA VAL 78 8.361 -11.128 1.038 615 HB VAL 78 HB VAL 78 10.819 -11.229 0.962 616 HG11 VAL 78 1HG1 VAL 78 9.738 -9.104 1.419 617 HG12 VAL 78 2HG1 VAL 78 11.262 -9.222 2.296 618 HG13 VAL 78 3HG1 VAL 78 9.735 -9.456 3.147 619 HG21 VAL 78 3HG2 VAL 78 10.627 -11.739 3.930 620 HG22 VAL 78 1HG2 VAL 78 12.112 -11.405 3.040 621 HG23 VAL 78 2HG2 VAL 78 11.201 -12.878 2.712 622 H LYS 79 H LYS 79 8.307 -13.743 3.119 623 HA LYS 79 HA LYS 79 9.536 -15.743 1.538 624 HB2 LYS 79 2HB LYS 79 7.269 -16.170 3.483 625 HB3 LYS 79 1HB LYS 79 8.520 -17.316 3.020 626 HG2 LYS 79 2HG LYS 79 8.896 -14.814 4.650 627 HG3 LYS 79 1HG LYS 79 8.943 -16.475 5.240 628 HD2 LYS 79 2HD LYS 79 10.920 -16.922 3.906 629 HD3 LYS 79 1HD LYS 79 10.845 -15.300 3.214 630 HE2 LYS 79 2HE LYS 79 12.520 -15.413 4.981 631 HE3 LYS 79 1HE LYS 79 11.203 -14.333 5.430 632 HZ1 LYS 79 3HZ LYS 79 11.818 -15.743 7.276 633 HZ2 LYS 79 1HZ LYS 79 11.551 -17.134 6.352 634 HZ3 LYS 79 2HZ LYS 79 10.257 -16.129 6.757 635 H ASN 80 H ASN 80 6.467 -14.148 1.421 636 HA ASN 80 HA ASN 80 4.997 -16.045 -0.063 637 HB2 ASN 80 2HB ASN 80 4.788 -13.038 -0.079 638 HB3 ASN 80 1HB ASN 80 3.610 -14.139 -0.782 639 HD21 ASN 80 1HD2 ASN 80 3.220 -12.171 1.246 640 HD22 ASN 80 2HD2 ASN 80 2.660 -13.017 2.640 641 H SER 81 H SER 81 7.203 -13.481 -0.943 642 HA SER 81 HA SER 81 8.514 -13.126 -2.738 643 HB2 SER 81 2HB SER 81 8.766 -15.624 -2.702 644 HB3 SER 81 1HB SER 81 7.464 -15.714 -3.887 645 HG SER 81 HG SER 81 8.741 -14.593 -5.348 646 H SER 82 H SER 82 5.542 -14.625 -4.086 647 HA SER 82 HA SER 82 5.842 -12.985 -6.439 648 HB2 SER 82 2HB SER 82 3.577 -14.885 -5.861 649 HB3 SER 82 1HB SER 82 4.222 -14.393 -7.427 650 HG SER 82 HG SER 82 5.002 -16.408 -5.806 651 H VAL 83 H VAL 83 4.586 -12.116 -3.594 652 HA VAL 83 HA VAL 83 2.267 -10.758 -4.790 653 HB VAL 83 HB VAL 83 1.592 -12.110 -2.919 654 HG11 VAL 83 1HG1 VAL 83 3.600 -12.418 -1.726 655 HG12 VAL 83 2HG1 VAL 83 2.491 -11.602 -0.624 656 HG13 VAL 83 3HG1 VAL 83 3.775 -10.695 -1.425 657 HG21 VAL 83 3HG2 VAL 83 0.450 -9.973 -3.148 658 HG22 VAL 83 1HG2 VAL 83 1.662 -9.199 -2.127 659 HG23 VAL 83 2HG2 VAL 83 0.588 -10.421 -1.448 660 H GLN 84 H GLN 84 2.230 -8.617 -4.968 661 HA GLN 84 HA GLN 84 4.092 -6.988 -3.394 662 HB2 GLN 84 2HB GLN 84 3.752 -6.753 -6.393 663 HB3 GLN 84 1HB GLN 84 4.695 -5.665 -5.385 664 HG2 GLN 84 2HG GLN 84 6.208 -7.488 -4.820 665 HG3 GLN 84 1HG GLN 84 5.256 -8.595 -5.807 666 HE21 GLN 84 1HE2 GLN 84 5.276 -8.351 -8.064 667 HE22 GLN 84 2HE2 GLN 84 6.547 -7.492 -8.865 668 H PHE 85 H PHE 85 3.331 -4.943 -2.911 669 HA PHE 85 HA PHE 85 0.571 -4.374 -3.751 670 HB2 PHE 85 2HB PHE 85 2.114 -3.469 -1.320 671 HB3 PHE 85 1HB PHE 85 0.547 -2.814 -1.770 672 HD1 PHE 85 1HD PHE 85 -1.395 -4.477 -1.946 673 HD2 PHE 85 2HD PHE 85 2.262 -5.346 0.041 674 HE1 PHE 85 1HE PHE 85 -2.511 -6.266 -0.680 675 HE2 PHE 85 2HE PHE 85 1.153 -7.137 1.308 676 HZ PHE 85 HZ PHE 85 -1.232 -7.602 0.946 677 H HIS 86 H HIS 86 0.264 -2.722 -5.083 678 HA HIS 86 HA HIS 86 2.512 -0.877 -5.513 679 HB2 HIS 86 2HB HIS 86 1.708 -2.159 -7.484 680 HB3 HIS 86 1HB HIS 86 0.127 -1.412 -7.298 681 HD1 HIS 86 1HD HIS 86 2.989 0.864 -6.730 682 HD2 HIS 86 2HD HIS 86 0.574 -0.317 -9.905 683 HE1 HIS 86 1HE HIS 86 3.385 2.547 -8.549 684 HE2 HIS 86 2HE HIS 86 2.055 1.709 -10.513 685 H VAL 87 H VAL 87 2.306 0.851 -4.260 686 HA VAL 87 HA VAL 87 -0.358 1.879 -3.665 687 HB VAL 87 HB VAL 87 2.331 2.685 -2.545 688 HG11 VAL 87 1HG1 VAL 87 1.050 3.940 -0.882 689 HG12 VAL 87 2HG1 VAL 87 -0.443 3.528 -1.724 690 HG13 VAL 87 3HG1 VAL 87 0.763 4.546 -2.513 691 HG21 VAL 87 3HG2 VAL 87 1.570 1.563 -0.507 692 HG22 VAL 87 1HG2 VAL 87 1.667 0.444 -1.868 693 HG23 VAL 87 2HG2 VAL 87 0.100 1.057 -1.340 694 H ILE 88 H ILE 88 -1.181 3.364 -4.940 695 HA ILE 88 HA ILE 88 0.613 5.142 -6.436 696 HB ILE 88 HB ILE 88 -2.340 4.582 -6.795 697 HG12 ILE 88 2HG1 ILE 88 -1.393 3.871 -9.126 698 HG13 ILE 88 1HG1 ILE 88 0.131 3.718 -8.260 699 HG21 ILE 88 1HG2 ILE 88 -0.554 6.423 -8.372 700 HG22 ILE 88 2HG2 ILE 88 -1.893 6.897 -7.325 701 HG23 ILE 88 3HG2 ILE 88 -2.208 5.984 -8.800 702 HD11 ILE 88 3HD1 ILE 88 -2.428 2.276 -7.613 703 HD12 ILE 88 1HD1 ILE 88 -0.905 2.117 -6.737 704 HD13 ILE 88 2HD1 ILE 88 -1.016 1.590 -8.417 705 H PHE 89 H PHE 89 0.621 7.325 -6.078 706 HA PHE 89 HA PHE 89 -0.943 8.207 -3.765 707 HB2 PHE 89 2HB PHE 89 1.638 9.187 -4.956 708 HB3 PHE 89 1HB PHE 89 0.740 10.109 -3.753 709 HD1 PHE 89 1HD PHE 89 -0.149 8.486 -1.777 710 HD2 PHE 89 2HD PHE 89 3.374 7.954 -4.099 711 HE1 PHE 89 1HE PHE 89 0.810 7.108 0.011 712 HE2 PHE 89 2HE PHE 89 4.344 6.573 -2.307 713 HZ PHE 89 HZ PHE 89 3.044 6.154 -0.267 714 H ASP 90 H ASP 90 -2.786 9.133 -4.382 715 HA ASP 90 HA ASP 90 -3.061 10.361 -6.973 716 HB2 ASP 90 2HB ASP 90 -5.022 10.145 -4.677 717 HB3 ASP 90 1HB ASP 90 -5.407 10.779 -6.270 718 H GLU 91 H GLU 91 -2.332 12.359 -7.327 719 HA GLU 91 HA GLU 91 -2.696 14.344 -5.208 720 HB2 GLU 91 2HB GLU 91 -1.234 15.813 -6.437 721 HB3 GLU 91 1HB GLU 91 -0.458 14.247 -6.286 722 HG2 GLU 91 2HG GLU 91 -1.886 15.233 -8.745 723 HG3 GLU 91 1HG GLU 91 -0.146 15.305 -8.488 724 H GLU 92 H GLU 92 -4.353 15.653 -5.246 725 HA GLU 92 HA GLU 92 -5.939 15.811 -7.716 726 HB2 GLU 92 2HB GLU 92 -6.894 15.652 -4.851 727 HB3 GLU 92 1HB GLU 92 -7.939 15.962 -6.229 728 HG2 GLU 92 2HG GLU 92 -6.274 13.479 -5.891 729 HG3 GLU 92 1HG GLU 92 -7.969 13.615 -5.428 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 3.858 -7.535 -20.786 2 H2 GLY 1 2HT GLY 1 3.083 -8.280 -19.480 3 H3 GLY 1 3HT GLY 1 4.656 -7.692 -19.307 4 HA2 GLY 1 1HA GLY 1 3.902 -5.435 -19.601 5 HA3 GLY 1 2HA GLY 1 2.265 -6.027 -19.828 6 H SER 2 H SER 2 1.880 -4.490 -18.014 7 HA SER 2 HA SER 2 2.762 -5.504 -15.412 8 HB2 SER 2 2HB SER 2 1.393 -2.892 -16.085 9 HB3 SER 2 1HB SER 2 2.103 -3.334 -14.533 10 HG SER 2 HG SER 2 3.743 -3.497 -16.780 11 H ALA 3 H ALA 3 0.750 -6.951 -16.851 12 HA ALA 3 HA ALA 3 -1.806 -6.329 -15.693 13 HB1 ALA 3 1HB ALA 3 -2.530 -8.469 -16.659 14 HB2 ALA 3 2HB ALA 3 -0.861 -8.825 -17.102 15 HB3 ALA 3 3HB ALA 3 -1.698 -7.462 -17.841 16 H MET 4 H MET 4 -1.000 -6.183 -13.490 17 HA MET 4 HA MET 4 -0.805 -6.922 -11.361 18 HB2 MET 4 2HB MET 4 -2.023 -9.446 -12.500 19 HB3 MET 4 1HB MET 4 -1.771 -9.155 -10.786 20 HG2 MET 4 2HG MET 4 -3.338 -7.356 -10.793 21 HG3 MET 4 1HG MET 4 -3.472 -7.414 -12.550 22 HE1 MET 4 3HE MET 4 -4.932 -10.852 -9.833 23 HE2 MET 4 1HE MET 4 -4.110 -9.419 -9.215 24 HE3 MET 4 2HE MET 4 -3.236 -10.571 -10.225 25 H GLY 5 H GLY 5 -0.400 -10.210 -12.309 26 HA2 GLY 5 2HA GLY 5 2.521 -9.962 -12.347 27 HA3 GLY 5 1HA GLY 5 1.771 -11.069 -11.199 28 H HIS 6 H HIS 6 0.278 -10.504 -14.217 29 HA HIS 6 HA HIS 6 -0.152 -11.748 -16.049 30 HB2 HIS 6 2HB HIS 6 2.396 -11.894 -16.144 31 HB3 HIS 6 1HB HIS 6 2.231 -13.487 -15.420 32 HD1 HIS 6 1HD HIS 6 2.150 -15.326 -17.080 33 HD2 HIS 6 2HD HIS 6 0.751 -11.745 -18.663 34 HE1 HIS 6 1HE HIS 6 1.643 -15.804 -19.494 35 HE2 HIS 6 2HE HIS 6 0.705 -13.655 -20.405 36 H MET 7 H MET 7 1.120 -14.003 -13.596 37 HA MET 7 HA MET 7 -1.454 -15.057 -13.051 38 HB2 MET 7 2HB MET 7 -1.131 -16.196 -15.182 39 HB3 MET 7 1HB MET 7 0.399 -16.851 -14.624 40 HG2 MET 7 2HG MET 7 -1.437 -18.483 -14.539 41 HG3 MET 7 1HG MET 7 -0.711 -18.181 -12.963 42 HE1 MET 7 3HE MET 7 -3.210 -15.710 -14.790 43 HE2 MET 7 1HE MET 7 -4.755 -16.397 -14.294 44 HE3 MET 7 2HE MET 7 -3.678 -17.315 -15.344 45 HA PRO 8 HA PRO 8 1.761 -17.518 -10.456 46 HB2 PRO 8 2HB PRO 8 4.399 -16.984 -10.738 47 HB3 PRO 8 1HB PRO 8 3.560 -18.194 -11.716 48 HG2 PRO 8 2HG PRO 8 4.273 -15.367 -12.405 49 HG3 PRO 8 1HG PRO 8 4.449 -16.834 -13.388 50 HD2 PRO 8 2HD PRO 8 2.397 -15.114 -13.719 51 HD3 PRO 8 1HD PRO 8 2.221 -16.860 -13.973 52 H ALA 9 H ALA 9 2.505 -14.157 -11.190 53 HA ALA 9 HA ALA 9 3.349 -13.699 -8.429 54 HB1 ALA 9 1HB ALA 9 3.454 -11.904 -10.849 55 HB2 ALA 9 2HB ALA 9 4.801 -12.762 -10.107 56 HB3 ALA 9 3HB ALA 9 4.003 -11.451 -9.238 57 H VAL 10 H VAL 10 2.342 -12.232 -7.073 58 HA VAL 10 HA VAL 10 -0.456 -11.633 -7.785 59 HB VAL 10 HB VAL 10 0.760 -11.819 -5.019 60 HG11 VAL 10 1HG1 VAL 10 -1.212 -10.393 -5.128 61 HG12 VAL 10 2HG1 VAL 10 -1.560 -11.883 -4.251 62 HG13 VAL 10 3HG1 VAL 10 -2.118 -11.688 -5.913 63 HG21 VAL 10 3HG2 VAL 10 -0.386 -13.973 -4.826 64 HG22 VAL 10 1HG2 VAL 10 0.824 -13.995 -6.110 65 HG23 VAL 10 2HG2 VAL 10 -0.887 -13.856 -6.513 66 H ASP 11 H ASP 11 -1.178 -9.562 -7.709 67 HA ASP 11 HA ASP 11 0.629 -7.491 -6.685 68 HB2 ASP 11 2HB ASP 11 0.903 -7.830 -9.178 69 HB3 ASP 11 1HB ASP 11 -0.765 -7.299 -9.357 70 H VAL 12 H VAL 12 -0.385 -5.859 -5.649 71 HA VAL 12 HA VAL 12 -3.327 -5.707 -5.841 72 HB VAL 12 HB VAL 12 -1.718 -5.446 -3.287 73 HG11 VAL 12 1HG1 VAL 12 -3.687 -4.017 -3.297 74 HG12 VAL 12 2HG1 VAL 12 -3.900 -5.361 -2.174 75 HG13 VAL 12 3HG1 VAL 12 -4.698 -5.388 -3.745 76 HG21 VAL 12 3HG2 VAL 12 -2.812 -7.524 -2.591 77 HG22 VAL 12 1HG2 VAL 12 -1.819 -7.767 -4.029 78 HG23 VAL 12 2HG2 VAL 12 -3.574 -7.655 -4.177 79 H GLU 13 H GLU 13 -4.184 -3.640 -5.879 80 HA GLU 13 HA GLU 13 -2.220 -1.453 -5.923 81 HB2 GLU 13 2HB GLU 13 -4.977 -1.588 -7.156 82 HB3 GLU 13 1HB GLU 13 -3.901 -0.203 -7.227 83 HG2 GLU 13 2HG GLU 13 -2.278 -1.566 -8.478 84 HG3 GLU 13 1HG GLU 13 -3.434 -2.900 -8.467 85 H ILE 14 H ILE 14 -2.230 -0.172 -4.208 86 HA ILE 14 HA ILE 14 -4.810 0.298 -2.856 87 HB ILE 14 HB ILE 14 -2.278 1.066 -1.487 88 HG12 ILE 14 2HG1 ILE 14 -3.251 -1.807 -1.451 89 HG13 ILE 14 1HG1 ILE 14 -1.838 -1.265 -2.350 90 HG21 ILE 14 1HG2 ILE 14 -4.861 -0.175 -0.551 91 HG22 ILE 14 2HG2 ILE 14 -4.480 1.548 -0.552 92 HG23 ILE 14 3HG2 ILE 14 -3.574 0.444 0.484 93 HD11 ILE 14 3HD1 ILE 14 -2.179 -1.111 0.643 94 HD12 ILE 14 1HD1 ILE 14 -0.758 -0.595 -0.263 95 HD13 ILE 14 2HD1 ILE 14 -1.210 -2.298 -0.228 96 H HIS 15 H HIS 15 -5.584 2.317 -3.181 97 HA HIS 15 HA HIS 15 -3.708 4.319 -4.209 98 HB2 HIS 15 2HB HIS 15 -6.722 4.200 -4.288 99 HB3 HIS 15 1HB HIS 15 -5.790 5.593 -4.821 100 HD1 HIS 15 1HD HIS 15 -6.687 2.095 -5.787 101 HD2 HIS 15 2HD HIS 15 -4.519 5.305 -7.290 102 HE1 HIS 15 1HE HIS 15 -6.223 1.527 -8.189 103 HE2 HIS 15 2HE HIS 15 -5.116 3.586 -9.129 104 H PHE 16 H PHE 16 -3.193 6.075 -3.136 105 HA PHE 16 HA PHE 16 -4.502 6.581 -0.543 106 HB2 PHE 16 2HB PHE 16 -1.604 6.745 -1.359 107 HB3 PHE 16 1HB PHE 16 -2.221 7.596 0.047 108 HD1 PHE 16 2HD PHE 16 -2.878 4.133 -1.214 109 HD2 PHE 16 1HD PHE 16 -1.362 6.600 1.894 110 HE1 PHE 16 2HE PHE 16 -2.493 2.145 0.182 111 HE2 PHE 16 1HE PHE 16 -0.974 4.617 3.292 112 HZ PHE 16 HZ PHE 16 -1.543 2.383 2.436 113 HA PRO 17 HA PRO 17 -5.189 10.683 -2.302 114 HB2 PRO 17 2HB PRO 17 -5.811 11.378 0.490 115 HB3 PRO 17 1HB PRO 17 -6.824 11.518 -0.948 116 HG2 PRO 17 2HG PRO 17 -7.294 9.676 0.947 117 HG3 PRO 17 1HG PRO 17 -7.607 9.363 -0.770 118 HD2 PRO 17 2HD PRO 17 -5.323 8.461 0.939 119 HD3 PRO 17 1HD PRO 17 -6.202 7.581 -0.329 120 H LEU 18 H LEU 18 -3.377 11.673 -2.736 121 HA LEU 18 HA LEU 18 -0.966 11.575 -1.478 122 HB2 LEU 18 2HB LEU 18 -1.403 12.361 -3.775 123 HB3 LEU 18 1HB LEU 18 -2.062 13.847 -3.139 124 HG LEU 18 HG LEU 18 0.278 13.944 -4.112 125 HD11 LEU 18 1HD1 LEU 18 -0.605 15.738 -2.739 126 HD12 LEU 18 2HD1 LEU 18 1.113 15.491 -2.427 127 HD13 LEU 18 3HD1 LEU 18 -0.086 14.896 -1.280 128 HD21 LEU 18 3HD2 LEU 18 0.925 12.490 -1.559 129 HD22 LEU 18 1HD2 LEU 18 2.107 13.300 -2.589 130 HD23 LEU 18 2HD2 LEU 18 1.195 11.927 -3.205 131 H LYS 19 H LYS 19 -3.489 13.974 -0.949 132 HA LYS 19 HA LYS 19 -1.798 15.613 0.692 133 HB2 LYS 19 2HB LYS 19 -3.893 16.916 1.104 134 HB3 LYS 19 1HB LYS 19 -3.426 16.768 -0.581 135 HG2 LYS 19 2HG LYS 19 -5.090 14.989 -0.862 136 HG3 LYS 19 1HG LYS 19 -5.562 15.189 0.822 137 HD2 LYS 19 2HD LYS 19 -7.101 16.352 -0.661 138 HD3 LYS 19 1HD LYS 19 -6.238 17.500 0.360 139 HE2 LYS 19 2HE LYS 19 -4.707 17.943 -1.524 140 HE3 LYS 19 1HE LYS 19 -5.648 16.815 -2.502 141 HZ1 LYS 19 3HZ LYS 19 -7.543 18.231 -2.355 142 HZ2 LYS 19 1HZ LYS 19 -6.232 19.168 -2.868 143 HZ3 LYS 19 2HZ LYS 19 -6.764 19.267 -1.266 144 H ARG 20 H ARG 20 -4.063 13.037 1.326 145 HA ARG 20 HA ARG 20 -4.245 13.787 4.133 146 HB2 ARG 20 2HB ARG 20 -5.604 11.652 2.520 147 HB3 ARG 20 1HB ARG 20 -5.664 11.650 4.277 148 HG2 ARG 20 2HG ARG 20 -7.502 12.886 4.004 149 HG3 ARG 20 1HG ARG 20 -6.373 14.212 3.722 150 HD2 ARG 20 2HD ARG 20 -6.454 13.647 1.291 151 HD3 ARG 20 1HD ARG 20 -7.730 12.490 1.659 152 HE ARG 20 HE ARG 20 -8.324 15.093 2.671 153 HH11 ARG 20 1HH1 ARG 20 -8.358 13.141 -0.228 154 HH12 ARG 20 2HH1 ARG 20 -9.630 14.048 -0.979 155 HH21 ARG 20 1HH2 ARG 20 -10.007 16.287 1.689 156 HH22 ARG 20 2HH2 ARG 20 -10.572 15.830 0.111 157 H ILE 21 H ILE 21 -2.743 11.273 2.158 158 HA ILE 21 HA ILE 21 -1.891 9.678 4.346 159 HB ILE 21 HB ILE 21 -1.896 8.752 2.100 160 HG12 ILE 21 2HG1 ILE 21 0.314 7.680 2.104 161 HG13 ILE 21 1HG1 ILE 21 0.927 8.927 3.183 162 HG21 ILE 21 1HG2 ILE 21 0.206 10.824 1.517 163 HG22 ILE 21 2HG2 ILE 21 -1.366 10.630 0.743 164 HG23 ILE 21 3HG2 ILE 21 -0.099 9.431 0.480 165 HD11 ILE 21 3HD1 ILE 21 -1.291 7.012 3.879 166 HD12 ILE 21 1HD1 ILE 21 -0.512 8.172 4.954 167 HD13 ILE 21 2HD1 ILE 21 0.404 6.803 4.322 168 H ALA 22 H ALA 22 -0.726 12.625 2.945 169 HA ALA 22 HA ALA 22 1.824 12.491 4.336 170 HB1 ALA 22 1HB ALA 22 2.288 14.639 3.281 171 HB2 ALA 22 2HB ALA 22 0.634 14.709 2.673 172 HB3 ALA 22 3HB ALA 22 1.737 13.465 2.086 173 H ALA 23 H ALA 23 -1.033 12.791 5.547 174 HA ALA 23 HA ALA 23 -0.401 15.112 7.251 175 HB1 ALA 23 1HB ALA 23 -2.785 15.517 7.482 176 HB2 ALA 23 2HB ALA 23 -3.138 14.138 6.444 177 HB3 ALA 23 3HB ALA 23 -2.316 15.550 5.783 178 H GLU 24 H GLU 24 -1.741 14.953 9.375 179 HA GLU 24 HA GLU 24 -1.051 12.379 10.544 180 HB2 GLU 24 2HB GLU 24 -0.333 14.492 11.637 181 HB3 GLU 24 1HB GLU 24 -2.023 14.901 11.897 182 HG2 GLU 24 2HG GLU 24 -2.296 12.951 13.317 183 HG3 GLU 24 1HG GLU 24 -0.620 12.489 13.028 184 H GLY 25 H GLY 25 -3.835 14.275 9.688 185 HA2 GLY 25 2HA GLY 25 -5.677 12.501 11.077 186 HA3 GLY 25 1HA GLY 25 -6.110 13.883 10.081 187 H TYR 26 H TYR 26 -4.165 10.995 9.431 188 HA TYR 26 HA TYR 26 -5.293 10.794 6.797 189 HB2 TYR 26 2HB TYR 26 -3.709 8.950 6.478 190 HB3 TYR 26 1HB TYR 26 -2.907 10.351 7.174 191 HD1 TYR 26 2HD TYR 26 -2.182 10.314 9.540 192 HD2 TYR 26 1HD TYR 26 -3.878 6.881 7.681 193 HE1 TYR 26 2HE TYR 26 -1.323 8.907 11.362 194 HE2 TYR 26 1HE TYR 26 -3.022 5.469 9.499 195 HH TYR 26 HH TYR 26 -1.284 5.498 11.191 196 H ALA 27 H ALA 27 -5.632 9.095 9.852 197 HA ALA 27 HA ALA 27 -7.066 6.875 8.717 198 HB1 ALA 27 1HB ALA 27 -7.398 6.150 11.008 199 HB2 ALA 27 2HB ALA 27 -6.836 7.711 11.608 200 HB3 ALA 27 3HB ALA 27 -5.720 6.636 10.766 201 H GLU 28 H GLU 28 -7.815 10.033 9.684 202 HA GLU 28 HA GLU 28 -10.628 9.544 10.120 203 HB2 GLU 28 2HB GLU 28 -9.056 12.109 9.818 204 HB3 GLU 28 1HB GLU 28 -10.773 12.032 10.195 205 HG2 GLU 28 2HG GLU 28 -8.511 10.983 11.879 206 HG3 GLU 28 1HG GLU 28 -9.511 12.398 12.209 207 H ASP 29 H ASP 29 -8.620 9.754 7.458 208 HA ASP 29 HA ASP 29 -10.547 11.018 5.704 209 HB2 ASP 29 2HB ASP 29 -8.210 11.440 5.239 210 HB3 ASP 29 1HB ASP 29 -7.882 9.712 5.115 211 H GLU 30 H GLU 30 -12.230 9.955 5.053 212 HA GLU 30 HA GLU 30 -12.668 7.223 5.393 213 HB2 GLU 30 2HB GLU 30 -14.494 8.808 5.233 214 HB3 GLU 30 1HB GLU 30 -14.039 9.214 3.585 215 HG2 GLU 30 2HG GLU 30 -14.577 6.928 2.884 216 HG3 GLU 30 1HG GLU 30 -15.068 6.552 4.536 217 H LEU 31 H LEU 31 -11.445 9.053 2.666 218 HA LEU 31 HA LEU 31 -11.693 7.090 0.692 219 HB2 LEU 31 2HB LEU 31 -10.192 9.578 1.084 220 HB3 LEU 31 1HB LEU 31 -9.398 8.432 0.023 221 HG LEU 31 HG LEU 31 -12.204 9.476 -0.361 222 HD11 LEU 31 1HD1 LEU 31 -9.650 10.172 -1.808 223 HD12 LEU 31 2HD1 LEU 31 -10.501 11.217 -0.672 224 HD13 LEU 31 3HD1 LEU 31 -11.263 10.768 -2.197 225 HD21 LEU 31 3HD2 LEU 31 -11.931 7.266 -1.278 226 HD22 LEU 31 1HD2 LEU 31 -10.420 7.738 -2.056 227 HD23 LEU 31 2HD2 LEU 31 -11.947 8.440 -2.592 228 H LEU 32 H LEU 32 -9.075 7.789 2.977 229 HA LEU 32 HA LEU 32 -7.326 5.883 1.802 230 HB2 LEU 32 2HB LEU 32 -6.547 7.887 2.979 231 HB3 LEU 32 1HB LEU 32 -7.246 7.284 4.473 232 HG LEU 32 HG LEU 32 -5.731 5.388 4.423 233 HD11 LEU 32 1HD1 LEU 32 -4.616 6.716 1.963 234 HD12 LEU 32 2HD1 LEU 32 -5.445 5.161 2.034 235 HD13 LEU 32 3HD1 LEU 32 -3.870 5.358 2.806 236 HD21 LEU 32 3HD2 LEU 32 -3.656 6.605 4.910 237 HD22 LEU 32 1HD2 LEU 32 -5.063 7.389 5.631 238 HD23 LEU 32 2HD2 LEU 32 -4.343 8.049 4.162 239 H LEU 33 H LEU 33 -9.482 6.013 4.545 240 HA LEU 33 HA LEU 33 -8.721 3.577 5.728 241 HB2 LEU 33 2HB LEU 33 -10.030 5.483 6.751 242 HB3 LEU 33 1HB LEU 33 -11.431 4.868 5.901 243 HG LEU 33 HG LEU 33 -11.210 2.729 7.120 244 HD11 LEU 33 1HD1 LEU 33 -8.829 2.758 7.559 245 HD12 LEU 33 2HD1 LEU 33 -9.716 2.637 9.077 246 HD13 LEU 33 3HD1 LEU 33 -9.011 4.177 8.589 247 HD21 LEU 33 3HD2 LEU 33 -12.703 4.462 7.952 248 HD22 LEU 33 1HD2 LEU 33 -11.378 5.179 8.868 249 HD23 LEU 33 2HD2 LEU 33 -11.971 3.572 9.287 250 H ASN 34 H ASN 34 -11.330 4.380 3.423 251 HA ASN 34 HA ASN 34 -12.393 1.729 3.540 252 HB2 ASN 34 2HB ASN 34 -14.071 2.411 2.114 253 HB3 ASN 34 1HB ASN 34 -13.622 3.930 2.872 254 HD21 ASN 34 1HD2 ASN 34 -12.695 5.522 1.662 255 HD22 ASN 34 2HD2 ASN 34 -12.599 5.455 -0.067 256 H GLN 35 H GLN 35 -10.034 3.334 1.482 257 HA GLN 35 HA GLN 35 -10.089 1.277 -0.524 258 HB2 GLN 35 2HB GLN 35 -8.036 3.404 0.102 259 HB3 GLN 35 1HB GLN 35 -7.912 2.302 -1.264 260 HG2 GLN 35 2HG GLN 35 -9.913 3.168 -2.229 261 HG3 GLN 35 1HG GLN 35 -10.230 4.163 -0.808 262 HE21 GLN 35 1HE2 GLN 35 -8.861 5.949 -0.410 263 HE22 GLN 35 2HE2 GLN 35 -7.968 6.695 -1.693 264 H MET 36 H MET 36 -7.984 1.994 2.234 265 HA MET 36 HA MET 36 -6.419 -0.379 1.894 266 HB2 MET 36 2HB MET 36 -6.622 1.748 3.982 267 HB3 MET 36 1HB MET 36 -5.814 0.238 4.382 268 HG2 MET 36 2HG MET 36 -4.985 1.458 1.848 269 HG3 MET 36 1HG MET 36 -4.604 2.393 3.291 270 HE1 MET 36 3HE MET 36 -3.178 -1.992 2.803 271 HE2 MET 36 1HE MET 36 -4.226 -1.211 1.619 272 HE3 MET 36 2HE MET 36 -4.831 -1.555 3.239 273 H GLY 37 H GLY 37 -9.462 0.314 3.234 274 HA2 GLY 37 2HA GLY 37 -9.522 -2.079 4.887 275 HA3 GLY 37 1HA GLY 37 -10.832 -0.931 4.657 276 H LYS 38 H LYS 38 -10.319 -1.108 1.678 277 HA LYS 38 HA LYS 38 -12.127 -3.259 1.127 278 HB2 LYS 38 2HB LYS 38 -12.069 -1.104 -0.153 279 HB3 LYS 38 1HB LYS 38 -10.521 -1.602 -0.823 280 HG2 LYS 38 2HG LYS 38 -11.608 -3.569 -1.823 281 HG3 LYS 38 1HG LYS 38 -13.158 -3.007 -1.194 282 HD2 LYS 38 2HD LYS 38 -12.920 -0.941 -2.508 283 HD3 LYS 38 1HD LYS 38 -11.397 -1.549 -3.163 284 HE2 LYS 38 2HE LYS 38 -12.641 -3.499 -4.075 285 HE3 LYS 38 1HE LYS 38 -14.137 -2.752 -3.524 286 HZ1 LYS 38 3HZ LYS 38 -13.691 -2.317 -5.869 287 HZ2 LYS 38 1HZ LYS 38 -12.246 -1.544 -5.462 288 HZ3 LYS 38 2HZ LYS 38 -13.723 -0.889 -4.971 289 H VAL 39 H VAL 39 -8.764 -2.563 0.130 290 HA VAL 39 HA VAL 39 -8.362 -5.369 -0.527 291 HB VAL 39 HB VAL 39 -5.999 -4.653 -1.038 292 HG11 VAL 39 1HG1 VAL 39 -6.611 -3.447 -3.094 293 HG12 VAL 39 2HG1 VAL 39 -8.233 -3.202 -2.448 294 HG13 VAL 39 3HG1 VAL 39 -7.657 -4.833 -2.790 295 HG21 VAL 39 3HG2 VAL 39 -7.109 -1.888 -0.549 296 HG22 VAL 39 1HG2 VAL 39 -5.534 -2.260 -1.250 297 HG23 VAL 39 2HG2 VAL 39 -5.879 -2.696 0.424 298 H ASN 40 H ASN 40 -9.006 -5.737 1.841 299 HA ASN 40 HA ASN 40 -6.609 -5.677 3.530 300 HB2 ASN 40 2HB ASN 40 -8.251 -3.707 3.902 301 HB3 ASN 40 1HB ASN 40 -9.281 -4.920 4.664 302 HD21 ASN 40 1HD2 ASN 40 -5.780 -4.659 4.676 303 HD22 ASN 40 2HD2 ASN 40 -5.619 -4.499 6.389 304 H ASP 41 H ASP 41 -9.835 -6.965 2.961 305 HA ASP 41 HA ASP 41 -9.850 -8.599 5.290 306 HB2 ASP 41 2HB ASP 41 -11.879 -9.633 4.262 307 HB3 ASP 41 1HB ASP 41 -11.955 -7.882 4.389 308 H THR 42 H THR 42 -9.127 -9.237 1.880 309 HA THR 42 HA THR 42 -7.866 -11.738 2.719 310 HB THR 42 HB THR 42 -8.820 -12.796 0.573 311 HG1 THR 42 1HG THR 42 -10.730 -10.706 1.012 312 HG21 THR 42 3HG2 THR 42 -10.830 -13.572 1.746 313 HG22 THR 42 1HG2 THR 42 -10.659 -12.261 2.913 314 HG23 THR 42 2HG2 THR 42 -9.437 -13.531 2.826 315 HA PRO 43 HA PRO 43 -5.327 -9.255 -0.340 316 HB2 PRO 43 2HB PRO 43 -3.079 -9.217 1.208 317 HB3 PRO 43 1HB PRO 43 -4.279 -7.923 1.177 318 HG2 PRO 43 2HG PRO 43 -3.878 -10.089 3.178 319 HG3 PRO 43 1HG PRO 43 -4.411 -8.422 3.419 320 HD2 PRO 43 2HD PRO 43 -6.084 -10.567 3.440 321 HD3 PRO 43 1HD PRO 43 -6.593 -8.927 3.003 322 H GLU 44 H GLU 44 -3.931 -11.518 1.879 323 HA GLU 44 HA GLU 44 -3.475 -13.819 0.712 324 HB2 GLU 44 2HB GLU 44 -2.650 -12.631 -1.347 325 HB3 GLU 44 1HB GLU 44 -1.329 -11.972 -0.391 326 HG2 GLU 44 2HG GLU 44 -0.670 -13.914 -1.753 327 HG3 GLU 44 1HG GLU 44 -0.428 -14.169 -0.025 328 H GLU 45 H GLU 45 -1.809 -11.019 1.934 329 HA GLU 45 HA GLU 45 0.145 -12.488 3.442 330 HB2 GLU 45 2HB GLU 45 -0.663 -9.583 3.431 331 HB3 GLU 45 1HB GLU 45 0.579 -10.212 4.500 332 HG2 GLU 45 2HG GLU 45 1.537 -9.165 2.534 333 HG3 GLU 45 1HG GLU 45 1.903 -10.887 2.579 334 H GLU 46 H GLU 46 -1.894 -10.013 4.888 335 HA GLU 46 HA GLU 46 -2.711 -11.903 6.976 336 HB2 GLU 46 2HB GLU 46 -1.398 -9.213 7.433 337 HB3 GLU 46 1HB GLU 46 -2.147 -10.183 8.694 338 HG2 GLU 46 2HG GLU 46 -0.468 -11.743 8.682 339 HG3 GLU 46 1HG GLU 46 -0.012 -11.396 7.016 340 H GLY 47 H GLY 47 -2.935 -8.389 6.831 341 HA2 GLY 47 2HA GLY 47 -5.161 -7.811 5.502 342 HA3 GLY 47 1HA GLY 47 -5.827 -8.542 6.951 343 H MET 48 H MET 48 -6.174 -7.279 8.648 344 HA MET 48 HA MET 48 -6.012 -4.560 8.546 345 HB2 MET 48 2HB MET 48 -7.521 -5.522 10.058 346 HB3 MET 48 1HB MET 48 -6.269 -6.463 10.841 347 HG2 MET 48 2HG MET 48 -7.031 -4.641 12.237 348 HG3 MET 48 1HG MET 48 -5.326 -4.491 11.826 349 HE1 MET 48 3HE MET 48 -6.080 -0.826 12.008 350 HE2 MET 48 1HE MET 48 -4.986 -2.162 12.373 351 HE3 MET 48 2HE MET 48 -6.602 -2.132 13.076 352 HA PRO 49 HA PRO 49 -1.895 -4.680 11.177 353 HB2 PRO 49 2HB PRO 49 -0.799 -7.253 10.178 354 HB3 PRO 49 1HB PRO 49 -0.711 -6.543 11.796 355 HG2 PRO 49 2HG PRO 49 -2.336 -8.582 11.341 356 HG3 PRO 49 1HG PRO 49 -2.863 -7.220 12.346 357 HD2 PRO 49 2HD PRO 49 -3.503 -7.802 9.473 358 HD3 PRO 49 1HD PRO 49 -4.582 -7.304 10.792 359 H LEU 50 H LEU 50 -1.995 -6.377 8.048 360 HA LEU 50 HA LEU 50 0.425 -5.318 7.128 361 HB2 LEU 50 2HB LEU 50 0.097 -6.389 5.171 362 HB3 LEU 50 1HB LEU 50 -1.003 -7.285 6.187 363 HG LEU 50 HG LEU 50 -2.860 -5.810 5.226 364 HD11 LEU 50 1HD1 LEU 50 -2.413 -4.860 3.019 365 HD12 LEU 50 2HD1 LEU 50 -0.701 -5.260 3.185 366 HD13 LEU 50 3HD1 LEU 50 -1.434 -4.063 4.255 367 HD21 LEU 50 3HD2 LEU 50 -2.581 -8.123 4.639 368 HD22 LEU 50 1HD2 LEU 50 -1.308 -7.708 3.491 369 HD23 LEU 50 2HD2 LEU 50 -2.965 -7.186 3.194 370 H ARG 51 H ARG 51 -2.903 -4.083 6.758 371 HA ARG 51 HA ARG 51 -2.073 -1.900 5.156 372 HB2 ARG 51 2HB ARG 51 -4.225 -0.931 5.455 373 HB3 ARG 51 1HB ARG 51 -4.442 -2.661 5.292 374 HG2 ARG 51 2HG ARG 51 -4.908 -2.903 7.611 375 HG3 ARG 51 1HG ARG 51 -4.415 -1.239 7.941 376 HD2 ARG 51 2HD ARG 51 -6.288 -0.370 6.728 377 HD3 ARG 51 1HD ARG 51 -6.709 -1.971 6.125 378 HE ARG 51 HE ARG 51 -6.823 -2.181 8.859 379 HH11 ARG 51 1HH1 ARG 51 -8.392 -0.154 6.465 380 HH12 ARG 51 2HH1 ARG 51 -9.867 -0.016 7.371 381 HH21 ARG 51 1HH2 ARG 51 -8.769 -2.009 10.032 382 HH22 ARG 51 2HH2 ARG 51 -10.078 -1.066 9.390 383 H ALA 52 H ALA 52 -2.326 -2.354 8.628 384 HA ALA 52 HA ALA 52 -1.912 0.287 9.422 385 HB1 ALA 52 1HB ALA 52 -0.946 -2.218 10.797 386 HB2 ALA 52 2HB ALA 52 -2.549 -1.504 10.968 387 HB3 ALA 52 3HB ALA 52 -1.128 -0.628 11.537 388 H TRP 53 H TRP 53 0.499 -2.284 8.781 389 HA TRP 53 HA TRP 53 2.682 -0.506 9.251 390 HB2 TRP 53 2HB TRP 53 4.127 -2.272 8.799 391 HB3 TRP 53 1HB TRP 53 2.706 -3.058 9.447 392 HD1 TRP 53 HD TRP 53 1.868 -5.077 8.164 393 HE1 TRP 53 1HE TRP 53 2.311 -6.101 5.827 394 HE3 TRP 53 3HE TRP 53 4.736 -1.376 6.138 395 HZ2 TRP 53 2HZ TRP 53 3.688 -5.461 3.518 396 HZ3 TRP 53 3HZ TRP 53 5.628 -1.683 3.866 397 HH2 TRP 53 HH TRP 53 5.110 -3.695 2.581 398 H VAL 54 H VAL 54 0.956 -1.612 6.428 399 HA VAL 54 HA VAL 54 2.647 -0.541 4.465 400 HB VAL 54 HB VAL 54 -0.139 -1.481 4.603 401 HG11 VAL 54 1HG1 VAL 54 -0.588 -0.836 2.251 402 HG12 VAL 54 2HG1 VAL 54 0.881 0.139 2.267 403 HG13 VAL 54 3HG1 VAL 54 -0.468 0.562 3.320 404 HG21 VAL 54 3HG2 VAL 54 1.663 -3.018 4.136 405 HG22 VAL 54 1HG2 VAL 54 2.142 -2.057 2.738 406 HG23 VAL 54 2HG2 VAL 54 0.589 -2.891 2.744 407 H ILE 55 H ILE 55 -0.327 0.830 5.927 408 HA ILE 55 HA ILE 55 -0.216 3.297 4.647 409 HB ILE 55 HB ILE 55 -1.312 2.538 7.346 410 HG12 ILE 55 2HG1 ILE 55 -2.645 3.203 4.715 411 HG13 ILE 55 1HG1 ILE 55 -2.384 1.579 5.345 412 HG21 ILE 55 1HG2 ILE 55 -0.722 4.900 7.416 413 HG22 ILE 55 2HG2 ILE 55 -2.471 4.676 7.398 414 HG23 ILE 55 3HG2 ILE 55 -1.630 5.183 5.928 415 HD11 ILE 55 3HD1 ILE 55 -4.671 2.310 5.687 416 HD12 ILE 55 1HD1 ILE 55 -4.104 3.711 6.597 417 HD13 ILE 55 2HD1 ILE 55 -3.848 2.085 7.230 418 H LYS 56 H LYS 56 1.288 2.273 7.709 419 HA LYS 56 HA LYS 56 2.455 4.770 8.298 420 HB2 LYS 56 2HB LYS 56 2.300 3.090 10.013 421 HB3 LYS 56 1HB LYS 56 3.279 1.970 9.074 422 HG2 LYS 56 2HG LYS 56 4.536 2.980 10.913 423 HG3 LYS 56 1HG LYS 56 5.221 3.388 9.341 424 HD2 LYS 56 2HD LYS 56 4.042 5.561 9.435 425 HD3 LYS 56 1HD LYS 56 3.468 5.150 11.052 426 HE2 LYS 56 2HE LYS 56 5.757 5.028 11.854 427 HE3 LYS 56 1HE LYS 56 6.359 5.356 10.230 428 HZ1 LYS 56 3HZ LYS 56 4.728 7.209 11.879 429 HZ2 LYS 56 1HZ LYS 56 5.293 7.523 10.315 430 HZ3 LYS 56 2HZ LYS 56 6.387 7.341 11.589 431 H CYS 57 H CYS 57 3.785 1.920 6.633 432 HA CYS 57 HA CYS 57 6.335 3.021 6.161 433 HB2 CYS 57 2HB CYS 57 5.924 0.620 6.030 434 HB3 CYS 57 1HB CYS 57 4.850 0.856 4.656 435 HG CYS 57 HG CYS 57 7.467 2.248 3.601 436 H ALA 58 H ALA 58 3.412 2.908 4.145 437 HA ALA 58 HA ALA 58 4.516 4.173 1.888 438 HB1 ALA 58 1HB ALA 58 1.663 4.198 2.872 439 HB2 ALA 58 2HB ALA 58 2.388 2.994 1.806 440 HB3 ALA 58 3HB ALA 58 2.199 4.659 1.258 441 H HIS 59 H HIS 59 2.978 5.361 4.807 442 HA HIS 59 HA HIS 59 2.713 8.075 4.232 443 HB2 HIS 59 2HB HIS 59 1.788 6.796 6.212 444 HB3 HIS 59 1HB HIS 59 3.393 6.857 6.923 445 HD1 HIS 59 1HD HIS 59 1.011 8.069 8.396 446 HD2 HIS 59 2HD HIS 59 3.495 10.212 5.859 447 HE1 HIS 59 1HE HIS 59 0.779 10.472 9.100 448 HE2 HIS 59 2HE HIS 59 2.443 11.720 7.683 449 H GLU 60 H GLU 60 5.336 6.470 6.047 450 HA GLU 60 HA GLU 60 6.912 8.814 6.213 451 HB2 GLU 60 2HB GLU 60 8.713 7.275 6.985 452 HB3 GLU 60 1HB GLU 60 7.199 7.102 7.861 453 HG2 GLU 60 2HG GLU 60 6.661 5.118 6.576 454 HG3 GLU 60 1HG GLU 60 8.152 5.298 5.652 455 H ALA 61 H ALA 61 6.825 6.150 3.910 456 HA ALA 61 HA ALA 61 9.215 6.748 2.542 457 HB1 ALA 61 1HB ALA 61 7.990 4.635 2.244 458 HB2 ALA 61 2HB ALA 61 8.311 5.435 0.705 459 HB3 ALA 61 3HB ALA 61 6.701 5.512 1.419 460 H LEU 62 H LEU 62 5.898 7.877 2.131 461 HA LEU 62 HA LEU 62 6.373 9.400 -0.201 462 HB2 LEU 62 2HB LEU 62 4.129 8.757 0.425 463 HB3 LEU 62 1HB LEU 62 4.246 9.680 1.914 464 HG LEU 62 HG LEU 62 4.688 11.679 0.241 465 HD11 LEU 62 1HD1 LEU 62 4.670 10.218 -1.746 466 HD12 LEU 62 2HD1 LEU 62 3.446 11.487 -1.803 467 HD13 LEU 62 3HD1 LEU 62 2.980 9.832 -1.408 468 HD21 LEU 62 3HD2 LEU 62 1.967 10.516 0.773 469 HD22 LEU 62 1HD2 LEU 62 2.305 12.183 0.308 470 HD23 LEU 62 2HD2 LEU 62 2.880 11.565 1.857 471 H GLU 63 H GLU 63 6.347 10.260 3.252 472 HA GLU 63 HA GLU 63 6.618 13.038 2.841 473 HB2 GLU 63 2HB GLU 63 7.468 11.375 5.219 474 HB3 GLU 63 1HB GLU 63 7.337 13.128 5.204 475 HG2 GLU 63 2HG GLU 63 4.936 12.935 4.759 476 HG3 GLU 63 1HG GLU 63 5.080 11.178 4.801 477 H LYS 64 H LYS 64 8.954 10.454 2.870 478 HA LYS 64 HA LYS 64 11.273 12.045 3.221 479 HB2 LYS 64 2HB LYS 64 11.185 9.558 3.471 480 HB3 LYS 64 1HB LYS 64 11.028 9.429 1.727 481 HG2 LYS 64 2HG LYS 64 13.214 10.659 1.543 482 HG3 LYS 64 1HG LYS 64 13.377 10.463 3.290 483 HD2 LYS 64 2HD LYS 64 13.075 8.230 1.286 484 HD3 LYS 64 1HD LYS 64 14.582 8.717 2.058 485 HE2 LYS 64 2HE LYS 64 13.704 8.103 4.230 486 HE3 LYS 64 1HE LYS 64 12.138 7.715 3.513 487 HZ1 LYS 64 3HZ LYS 64 13.400 5.717 3.870 488 HZ2 LYS 64 1HZ LYS 64 14.704 6.320 2.978 489 HZ3 LYS 64 2HZ LYS 64 13.237 5.980 2.208 490 H ASN 65 H ASN 65 9.415 11.031 0.409 491 HA ASN 65 HA ASN 65 10.732 13.094 -1.174 492 HB2 ASN 65 2HB ASN 65 10.880 11.483 -3.126 493 HB3 ASN 65 1HB ASN 65 12.029 11.205 -1.826 494 HD21 ASN 65 1HD2 ASN 65 9.196 10.033 -3.435 495 HD22 ASN 65 2HD2 ASN 65 9.216 8.436 -2.787 496 HA PRO 66 HA PRO 66 6.115 12.810 -1.403 497 HB2 PRO 66 2HB PRO 66 5.520 15.337 -0.755 498 HB3 PRO 66 1HB PRO 66 6.031 14.172 0.468 499 HG2 PRO 66 2HG PRO 66 7.653 16.275 -0.927 500 HG3 PRO 66 1HG PRO 66 7.583 15.889 0.803 501 HD2 PRO 66 2HD PRO 66 9.550 14.972 -0.843 502 HD3 PRO 66 1HD PRO 66 8.991 14.082 0.586 503 H LYS 67 H LYS 67 7.769 13.006 -3.675 504 HA LYS 67 HA LYS 67 6.235 14.890 -5.347 505 HB2 LYS 67 2HB LYS 67 9.145 14.163 -5.748 506 HB3 LYS 67 1HB LYS 67 8.209 15.319 -6.678 507 HG2 LYS 67 2HG LYS 67 8.820 15.633 -3.763 508 HG3 LYS 67 1HG LYS 67 9.783 16.333 -5.064 509 HD2 LYS 67 2HD LYS 67 7.813 17.558 -5.851 510 HD3 LYS 67 1HD LYS 67 6.866 16.872 -4.529 511 HE2 LYS 67 2HE LYS 67 8.415 17.903 -2.934 512 HE3 LYS 67 1HE LYS 67 9.285 18.647 -4.270 513 HZ1 LYS 67 3HZ LYS 67 7.295 19.862 -4.857 514 HZ2 LYS 67 1HZ LYS 67 7.716 20.180 -3.249 515 HZ3 LYS 67 2HZ LYS 67 6.437 19.135 -3.598 516 H ILE 68 H ILE 68 6.361 11.850 -4.629 517 HA ILE 68 HA ILE 68 6.947 10.710 -7.234 518 HB ILE 68 HB ILE 68 6.308 8.532 -6.087 519 HG12 ILE 68 2HG1 ILE 68 6.612 10.237 -3.598 520 HG13 ILE 68 1HG1 ILE 68 5.091 9.575 -4.188 521 HG21 ILE 68 1HG2 ILE 68 8.681 10.167 -5.264 522 HG22 ILE 68 2HG2 ILE 68 8.560 9.006 -6.586 523 HG23 ILE 68 3HG2 ILE 68 8.518 8.447 -4.914 524 HD11 ILE 68 3HD1 ILE 68 7.477 7.970 -3.305 525 HD12 ILE 68 1HD1 ILE 68 5.936 7.319 -3.863 526 HD13 ILE 68 2HD1 ILE 68 6.010 8.252 -2.367 527 H ARG 69 H ARG 69 5.431 8.773 -7.714 528 HA ARG 69 HA ARG 69 2.721 9.911 -7.967 529 HB2 ARG 69 2HB ARG 69 3.814 9.719 -10.124 530 HB3 ARG 69 1HB ARG 69 4.244 8.050 -9.801 531 HG2 ARG 69 2HG ARG 69 2.345 8.327 -11.376 532 HG3 ARG 69 1HG ARG 69 1.964 7.352 -9.955 533 HD2 ARG 69 2HD ARG 69 0.176 8.960 -10.558 534 HD3 ARG 69 1HD ARG 69 0.815 9.195 -8.932 535 HE ARG 69 HE ARG 69 1.701 10.854 -11.203 536 HH11 ARG 69 1HH1 ARG 69 0.453 10.519 -7.950 537 HH12 ARG 69 2HH1 ARG 69 0.484 12.227 -7.618 538 HH21 ARG 69 1HH2 ARG 69 1.780 13.098 -10.762 539 HH22 ARG 69 2HH2 ARG 69 1.264 13.685 -9.214 540 H GLU 70 H GLU 70 4.572 6.945 -7.570 541 HA GLU 70 HA GLU 70 2.722 5.955 -5.642 542 HB2 GLU 70 2HB GLU 70 2.071 3.920 -6.835 543 HB3 GLU 70 1HB GLU 70 1.505 5.364 -7.675 544 HG2 GLU 70 2HG GLU 70 3.221 5.144 -9.331 545 HG3 GLU 70 1HG GLU 70 4.007 3.854 -8.427 546 H VAL 71 H VAL 71 3.541 4.149 -4.524 547 HA VAL 71 HA VAL 71 6.356 3.545 -5.147 548 HB VAL 71 HB VAL 71 6.074 4.857 -3.062 549 HG11 VAL 71 1HG1 VAL 71 4.510 2.468 -2.105 550 HG12 VAL 71 2HG1 VAL 71 3.898 4.103 -2.357 551 HG13 VAL 71 3HG1 VAL 71 5.076 3.789 -1.082 552 HG21 VAL 71 3HG2 VAL 71 7.042 2.030 -2.648 553 HG22 VAL 71 1HG2 VAL 71 7.418 3.403 -1.605 554 HG23 VAL 71 2HG2 VAL 71 7.985 3.382 -3.275 555 H TYR 72 H TYR 72 7.041 1.383 -4.802 556 HA TYR 72 HA TYR 72 4.817 -0.545 -4.872 557 HB2 TYR 72 2HB TYR 72 7.627 -1.080 -5.837 558 HB3 TYR 72 1HB TYR 72 6.151 -1.941 -6.253 559 HD1 TYR 72 2HD TYR 72 4.593 -1.006 -7.905 560 HD2 TYR 72 1HD TYR 72 8.249 0.955 -6.968 561 HE1 TYR 72 2HE TYR 72 4.375 0.364 -9.934 562 HE2 TYR 72 1HE TYR 72 8.039 2.332 -8.993 563 HH TYR 72 HH TYR 72 5.164 2.516 -10.800 564 H LEU 73 H LEU 73 4.586 -1.544 -2.965 565 HA LEU 73 HA LEU 73 7.013 -1.865 -1.351 566 HB2 LEU 73 2HB LEU 73 5.724 -1.654 0.643 567 HB3 LEU 73 1HB LEU 73 5.357 -0.316 -0.409 568 HG LEU 73 HG LEU 73 3.253 -1.661 -1.055 569 HD11 LEU 73 1HD1 LEU 73 2.505 -3.274 0.456 570 HD12 LEU 73 2HD1 LEU 73 3.696 -2.806 1.656 571 HD13 LEU 73 3HD1 LEU 73 4.208 -3.681 0.210 572 HD21 LEU 73 3HD2 LEU 73 2.043 -0.691 0.784 573 HD22 LEU 73 1HD2 LEU 73 3.319 0.423 0.292 574 HD23 LEU 73 2HD2 LEU 73 3.518 -0.570 1.741 575 H LYS 74 H LYS 74 7.646 -3.762 -0.670 576 HA LYS 74 HA LYS 74 6.031 -6.097 -1.430 577 HB2 LYS 74 2HB LYS 74 8.402 -5.791 -2.319 578 HB3 LYS 74 1HB LYS 74 8.958 -6.035 -0.672 579 HG2 LYS 74 2HG LYS 74 7.221 -8.085 -1.972 580 HG3 LYS 74 1HG LYS 74 8.944 -8.014 -2.339 581 HD2 LYS 74 2HD LYS 74 9.428 -8.202 0.080 582 HD3 LYS 74 1HD LYS 74 7.699 -8.367 0.384 583 HE2 LYS 74 2HE LYS 74 8.904 -10.527 0.323 584 HE3 LYS 74 1HE LYS 74 7.604 -10.398 -0.861 585 HZ1 LYS 74 3HZ LYS 74 10.415 -9.790 -1.555 586 HZ2 LYS 74 1HZ LYS 74 9.137 -10.137 -2.603 587 HZ3 LYS 74 2HZ LYS 74 9.812 -11.362 -1.650 588 HA PRO 75 HA PRO 75 5.160 -6.186 2.832 589 HB2 PRO 75 2HB PRO 75 3.497 -8.264 2.930 590 HB3 PRO 75 1HB PRO 75 3.073 -6.797 2.033 591 HG2 PRO 75 2HG PRO 75 4.176 -9.384 1.018 592 HG3 PRO 75 1HG PRO 75 2.848 -8.410 0.361 593 HD2 PRO 75 2HD PRO 75 5.416 -8.329 -0.610 594 HD3 PRO 75 1HD PRO 75 4.275 -6.975 -0.719 595 H ARG 76 H ARG 76 4.868 -7.796 4.633 596 HA ARG 76 HA ARG 76 7.470 -8.755 5.213 597 HB2 ARG 76 2HB ARG 76 4.892 -9.081 6.752 598 HB3 ARG 76 1HB ARG 76 6.510 -9.311 7.395 599 HG2 ARG 76 2HG ARG 76 7.010 -7.015 7.265 600 HG3 ARG 76 1HG ARG 76 5.623 -6.691 6.223 601 HD2 ARG 76 2HD ARG 76 5.262 -5.924 8.538 602 HD3 ARG 76 1HD ARG 76 4.100 -7.156 8.044 603 HE ARG 76 HE ARG 76 6.445 -8.107 9.468 604 HH11 ARG 76 1HH1 ARG 76 3.102 -7.082 9.672 605 HH12 ARG 76 2HH1 ARG 76 2.790 -7.945 11.139 606 HH21 ARG 76 1HH2 ARG 76 6.036 -9.245 11.410 607 HH22 ARG 76 2HH2 ARG 76 4.461 -9.171 12.132 608 H ALA 77 H ALA 77 4.769 -10.204 3.766 609 HA ALA 77 HA ALA 77 5.287 -12.899 4.585 610 HB1 ALA 77 1HB ALA 77 3.646 -13.528 2.908 611 HB2 ALA 77 2HB ALA 77 3.669 -11.894 2.248 612 HB3 ALA 77 3HB ALA 77 3.048 -12.179 3.873 613 H VAL 78 H VAL 78 7.591 -12.767 4.156 614 HA VAL 78 HA VAL 78 8.711 -12.462 1.613 615 HB VAL 78 HB VAL 78 9.959 -12.369 3.757 616 HG11 VAL 78 1HG1 VAL 78 9.002 -14.260 4.907 617 HG12 VAL 78 2HG1 VAL 78 10.749 -14.464 4.779 618 HG13 VAL 78 3HG1 VAL 78 9.675 -15.368 3.713 619 HG21 VAL 78 3HG2 VAL 78 11.140 -12.592 1.644 620 HG22 VAL 78 1HG2 VAL 78 11.049 -14.347 1.770 621 HG23 VAL 78 2HG2 VAL 78 11.992 -13.428 2.943 622 H LYS 79 H LYS 79 7.043 -15.118 3.062 623 HA LYS 79 HA LYS 79 8.062 -17.242 1.529 624 HB2 LYS 79 2HB LYS 79 6.045 -18.454 2.195 625 HB3 LYS 79 1HB LYS 79 6.740 -17.588 3.558 626 HG2 LYS 79 2HG LYS 79 5.064 -15.824 3.284 627 HG3 LYS 79 1HG LYS 79 4.365 -16.709 1.929 628 HD2 LYS 79 2HD LYS 79 3.898 -18.599 3.443 629 HD3 LYS 79 1HD LYS 79 4.542 -17.656 4.790 630 HE2 LYS 79 2HE LYS 79 2.819 -15.978 4.468 631 HE3 LYS 79 1HE LYS 79 2.210 -16.845 3.062 632 HZ1 LYS 79 3HZ LYS 79 2.199 -17.835 5.860 633 HZ2 LYS 79 1HZ LYS 79 1.655 -18.706 4.515 634 HZ3 LYS 79 2HZ LYS 79 0.858 -17.293 4.985 635 H ASN 80 H ASN 80 5.749 -14.747 0.754 636 HA ASN 80 HA ASN 80 4.617 -16.161 -1.480 637 HB2 ASN 80 2HB ASN 80 4.432 -13.263 -0.676 638 HB3 ASN 80 1HB ASN 80 3.604 -13.954 -2.067 639 HD21 ASN 80 1HD2 ASN 80 2.374 -12.668 0.105 640 HD22 ASN 80 2HD2 ASN 80 1.382 -13.837 0.886 641 H SER 81 H SER 81 7.137 -13.848 -0.932 642 HA SER 81 HA SER 81 8.733 -12.876 -2.150 643 HB2 SER 81 2HB SER 81 9.803 -14.140 -3.941 644 HB3 SER 81 1HB SER 81 9.442 -15.182 -2.570 645 HG SER 81 HG SER 81 8.404 -16.389 -3.919 646 H SER 82 H SER 82 6.732 -14.184 -4.792 647 HA SER 82 HA SER 82 7.019 -11.687 -6.223 648 HB2 SER 82 2HB SER 82 5.524 -14.204 -6.988 649 HB3 SER 82 1HB SER 82 5.940 -12.869 -8.063 650 HG SER 82 HG SER 82 7.928 -14.263 -6.619 651 H VAL 83 H VAL 83 5.704 -10.934 -4.088 652 HA VAL 83 HA VAL 83 3.067 -10.324 -5.207 653 HB VAL 83 HB VAL 83 2.647 -11.927 -3.402 654 HG11 VAL 83 1HG1 VAL 83 4.661 -11.494 -2.059 655 HG12 VAL 83 2HG1 VAL 83 3.185 -11.454 -1.090 656 HG13 VAL 83 3HG1 VAL 83 3.976 -9.946 -1.560 657 HG21 VAL 83 3HG2 VAL 83 1.017 -10.161 -3.797 658 HG22 VAL 83 1HG2 VAL 83 1.861 -9.114 -2.660 659 HG23 VAL 83 2HG2 VAL 83 1.080 -10.588 -2.086 660 H GLN 84 H GLN 84 2.619 -8.190 -5.234 661 HA GLN 84 HA GLN 84 4.347 -6.400 -3.678 662 HB2 GLN 84 2HB GLN 84 3.846 -6.131 -6.645 663 HB3 GLN 84 1HB GLN 84 4.739 -4.993 -5.646 664 HG2 GLN 84 2HG GLN 84 6.412 -6.713 -5.188 665 HG3 GLN 84 1HG GLN 84 5.516 -7.846 -6.199 666 HE21 GLN 84 1HE2 GLN 84 5.474 -7.529 -8.431 667 HE22 GLN 84 2HE2 GLN 84 6.645 -6.543 -9.229 668 H PHE 85 H PHE 85 3.386 -4.622 -2.929 669 HA PHE 85 HA PHE 85 0.621 -4.084 -3.756 670 HB2 PHE 85 2HB PHE 85 2.236 -3.215 -1.361 671 HB3 PHE 85 1HB PHE 85 0.675 -2.514 -1.758 672 HD1 PHE 85 2HD PHE 85 -1.371 -3.841 -1.563 673 HD2 PHE 85 1HD PHE 85 2.405 -5.410 -0.385 674 HE1 PHE 85 2HE PHE 85 -2.509 -5.593 -0.267 675 HE2 PHE 85 1HE PHE 85 1.270 -7.163 0.917 676 HZ PHE 85 HZ PHE 85 -1.190 -7.252 0.985 677 H HIS 86 H HIS 86 0.221 -2.407 -5.042 678 HA HIS 86 HA HIS 86 2.309 -0.383 -5.436 679 HB2 HIS 86 2HB HIS 86 -0.269 -0.916 -6.928 680 HB3 HIS 86 1HB HIS 86 0.781 0.456 -7.247 681 HD1 HIS 86 1HD HIS 86 2.028 0.058 -9.319 682 HD2 HIS 86 2HD HIS 86 1.591 -3.413 -7.073 683 HE1 HIS 86 1HE HIS 86 3.174 -1.759 -10.638 684 HE2 HIS 86 2HE HIS 86 2.679 -3.878 -9.362 685 H VAL 87 H VAL 87 2.202 1.157 -3.883 686 HA VAL 87 HA VAL 87 -0.437 2.125 -3.093 687 HB VAL 87 HB VAL 87 2.332 2.828 -2.103 688 HG11 VAL 87 1HG1 VAL 87 1.235 4.235 -0.430 689 HG12 VAL 87 2HG1 VAL 87 -0.324 3.935 -1.195 690 HG13 VAL 87 3HG1 VAL 87 0.928 4.825 -2.062 691 HG21 VAL 87 3HG2 VAL 87 1.485 0.676 -1.348 692 HG22 VAL 87 1HG2 VAL 87 0.003 1.445 -0.782 693 HG23 VAL 87 2HG2 VAL 87 1.542 1.826 -0.014 694 H ILE 88 H ILE 88 -1.336 3.507 -4.388 695 HA ILE 88 HA ILE 88 0.359 5.159 -6.118 696 HB ILE 88 HB ILE 88 -2.563 4.448 -6.407 697 HG12 ILE 88 2HG1 ILE 88 -0.145 3.418 -7.911 698 HG13 ILE 88 1HG1 ILE 88 -1.022 2.521 -6.677 699 HG21 ILE 88 1HG2 ILE 88 -2.039 6.592 -7.424 700 HG22 ILE 88 2HG2 ILE 88 -2.343 5.377 -8.666 701 HG23 ILE 88 3HG2 ILE 88 -0.690 5.864 -8.298 702 HD11 ILE 88 3HD1 ILE 88 -1.642 1.792 -8.899 703 HD12 ILE 88 1HD1 ILE 88 -2.124 3.434 -9.322 704 HD13 ILE 88 2HD1 ILE 88 -3.014 2.546 -8.086 705 H PHE 89 H PHE 89 0.221 7.331 -6.094 706 HA PHE 89 HA PHE 89 -1.297 8.397 -3.838 707 HB2 PHE 89 2HB PHE 89 1.177 9.366 -5.246 708 HB3 PHE 89 1HB PHE 89 0.315 10.295 -4.024 709 HD1 PHE 89 1HD PHE 89 -0.179 9.097 -1.805 710 HD2 PHE 89 2HD PHE 89 2.803 7.858 -4.574 711 HE1 PHE 89 1HE PHE 89 0.919 7.800 -0.033 712 HE2 PHE 89 2HE PHE 89 3.911 6.562 -2.800 713 HZ PHE 89 HZ PHE 89 2.948 6.534 -0.538 714 H ASP 90 H ASP 90 -3.157 9.259 -4.395 715 HA ASP 90 HA ASP 90 -3.452 10.510 -7.027 716 HB2 ASP 90 2HB ASP 90 -5.550 9.723 -4.990 717 HB3 ASP 90 1HB ASP 90 -5.885 10.410 -6.574 718 H GLU 91 H GLU 91 -3.332 12.681 -7.175 719 HA GLU 91 HA GLU 91 -3.728 14.324 -4.819 720 HB2 GLU 91 2HB GLU 91 -3.201 15.092 -7.699 721 HB3 GLU 91 1HB GLU 91 -3.347 16.238 -6.378 722 HG2 GLU 91 2HG GLU 91 -1.065 16.020 -6.679 723 HG3 GLU 91 1HG GLU 91 -1.406 14.966 -5.309 724 H GLU 92 H GLU 92 -5.723 14.750 -4.166 725 HA GLU 92 HA GLU 92 -7.678 15.708 -6.101 726 HB2 GLU 92 2HB GLU 92 -8.455 13.626 -4.050 727 HB3 GLU 92 1HB GLU 92 -9.464 14.308 -5.315 728 HG2 GLU 92 2HG GLU 92 -7.802 13.259 -6.950 729 HG3 GLU 92 1HG GLU 92 -7.228 12.337 -5.561 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 2.964 -32.815 -18.064 2 H2 GLY 1 2HT GLY 1 4.645 -32.876 -18.217 3 H3 GLY 1 3HT GLY 1 3.706 -34.205 -18.670 4 HA2 GLY 1 1HA GLY 1 4.464 -32.999 -20.613 5 HA3 GLY 1 2HA GLY 1 2.714 -32.959 -20.464 6 H SER 2 H SER 2 1.863 -31.024 -19.207 7 HA SER 2 HA SER 2 3.238 -28.651 -20.243 8 HB2 SER 2 2HB SER 2 0.909 -29.016 -20.986 9 HB3 SER 2 1HB SER 2 0.374 -28.978 -19.309 10 HG SER 2 HG SER 2 1.879 -26.802 -20.083 11 H ALA 3 H ALA 3 4.619 -27.909 -18.746 12 HA ALA 3 HA ALA 3 3.901 -27.875 -15.933 13 HB1 ALA 3 1HB ALA 3 6.366 -26.807 -17.310 14 HB2 ALA 3 2HB ALA 3 6.202 -28.413 -16.604 15 HB3 ALA 3 3HB ALA 3 6.138 -26.985 -15.571 16 H MET 4 H MET 4 2.015 -26.493 -16.378 17 HA MET 4 HA MET 4 2.491 -23.764 -17.196 18 HB2 MET 4 2HB MET 4 0.106 -23.459 -16.942 19 HB3 MET 4 1HB MET 4 0.403 -24.972 -17.786 20 HG2 MET 4 2HG MET 4 0.031 -26.203 -15.709 21 HG3 MET 4 1HG MET 4 -0.269 -24.685 -14.865 22 HE1 MET 4 3HE MET 4 -1.416 -25.830 -18.487 23 HE2 MET 4 1HE MET 4 -3.004 -26.498 -18.108 24 HE3 MET 4 2HE MET 4 -1.550 -27.271 -17.478 25 H GLY 5 H GLY 5 2.843 -25.444 -14.336 26 HA2 GLY 5 2HA GLY 5 1.790 -23.482 -12.524 27 HA3 GLY 5 1HA GLY 5 2.738 -24.895 -12.097 28 H HIS 6 H HIS 6 3.068 -21.696 -13.620 29 HA HIS 6 HA HIS 6 5.830 -21.563 -12.654 30 HB2 HIS 6 2HB HIS 6 4.270 -19.679 -14.435 31 HB3 HIS 6 1HB HIS 6 5.944 -19.441 -13.956 32 HD1 HIS 6 1HD HIS 6 3.963 -20.796 -16.613 33 HD2 HIS 6 2HD HIS 6 7.628 -21.741 -14.893 34 HE1 HIS 6 1HE HIS 6 5.167 -22.200 -18.314 35 HE2 HIS 6 2HE HIS 6 7.361 -22.805 -17.237 36 H MET 7 H MET 7 2.873 -20.983 -11.470 37 HA MET 7 HA MET 7 2.077 -19.955 -9.621 38 HB2 MET 7 2HB MET 7 4.228 -20.437 -8.544 39 HB3 MET 7 1HB MET 7 4.908 -18.967 -9.226 40 HG2 MET 7 2HG MET 7 4.312 -18.683 -6.883 41 HG3 MET 7 1HG MET 7 3.369 -17.621 -7.926 42 HE1 MET 7 3HE MET 7 2.664 -18.307 -4.866 43 HE2 MET 7 1HE MET 7 0.913 -18.504 -4.974 44 HE3 MET 7 2HE MET 7 1.712 -17.201 -5.856 45 HA PRO 8 HA PRO 8 1.083 -16.181 -11.854 46 HB2 PRO 8 2HB PRO 8 -1.011 -16.050 -9.770 47 HB3 PRO 8 1HB PRO 8 -1.171 -16.011 -11.528 48 HG2 PRO 8 2HG PRO 8 -1.886 -18.169 -10.123 49 HG3 PRO 8 1HG PRO 8 -1.120 -18.316 -11.717 50 HD2 PRO 8 2HD PRO 8 0.077 -18.677 -8.997 51 HD3 PRO 8 1HD PRO 8 0.340 -19.618 -10.478 52 H ALA 9 H ALA 9 1.585 -14.090 -11.475 53 HA ALA 9 HA ALA 9 2.766 -13.433 -8.913 54 HB1 ALA 9 1HB ALA 9 3.928 -12.787 -10.960 55 HB2 ALA 9 2HB ALA 9 3.485 -11.370 -10.010 56 HB3 ALA 9 3HB ALA 9 2.548 -11.801 -11.441 57 H VAL 10 H VAL 10 1.691 -12.480 -7.334 58 HA VAL 10 HA VAL 10 -0.973 -11.418 -7.924 59 HB VAL 10 HB VAL 10 0.294 -12.046 -5.250 60 HG11 VAL 10 1HG1 VAL 10 -1.989 -11.864 -4.371 61 HG12 VAL 10 2HG1 VAL 10 -2.558 -11.368 -5.967 62 HG13 VAL 10 3HG1 VAL 10 -1.434 -10.343 -5.073 63 HG21 VAL 10 3HG2 VAL 10 -1.709 -13.621 -6.866 64 HG22 VAL 10 1HG2 VAL 10 -1.168 -14.014 -5.236 65 HG23 VAL 10 2HG2 VAL 10 -0.028 -14.063 -6.578 66 H ASP 11 H ASP 11 -1.208 -9.314 -8.152 67 HA ASP 11 HA ASP 11 0.517 -7.529 -6.583 68 HB2 ASP 11 2HB ASP 11 0.660 -5.975 -8.434 69 HB3 ASP 11 1HB ASP 11 1.214 -7.555 -8.977 70 H VAL 12 H VAL 12 -0.505 -5.984 -5.487 71 HA VAL 12 HA VAL 12 -3.366 -5.569 -6.061 72 HB VAL 12 HB VAL 12 -2.586 -6.654 -3.798 73 HG11 VAL 12 1HG1 VAL 12 -0.959 -5.135 -3.077 74 HG12 VAL 12 2HG1 VAL 12 -2.347 -4.928 -2.012 75 HG13 VAL 12 3HG1 VAL 12 -2.035 -3.758 -3.293 76 HG21 VAL 12 3HG2 VAL 12 -4.512 -5.668 -2.650 77 HG22 VAL 12 1HG2 VAL 12 -4.894 -6.068 -4.325 78 HG23 VAL 12 2HG2 VAL 12 -4.583 -4.393 -3.866 79 H GLU 13 H GLU 13 -4.051 -3.451 -6.301 80 HA GLU 13 HA GLU 13 -1.914 -1.446 -6.089 81 HB2 GLU 13 2HB GLU 13 -4.433 -1.396 -7.755 82 HB3 GLU 13 1HB GLU 13 -3.278 -0.076 -7.644 83 HG2 GLU 13 2HG GLU 13 -1.534 -1.671 -8.487 84 HG3 GLU 13 1HG GLU 13 -2.844 -2.805 -8.811 85 H ILE 14 H ILE 14 -2.002 -0.373 -4.280 86 HA ILE 14 HA ILE 14 -4.621 0.259 -3.122 87 HB ILE 14 HB ILE 14 -1.951 0.678 -1.777 88 HG12 ILE 14 2HG1 ILE 14 -3.762 -1.753 -1.595 89 HG13 ILE 14 1HG1 ILE 14 -2.169 -1.718 -2.339 90 HG21 ILE 14 1HG2 ILE 14 -4.767 0.415 -0.734 91 HG22 ILE 14 2HG2 ILE 14 -3.835 1.907 -0.866 92 HG23 ILE 14 3HG2 ILE 14 -3.323 0.644 0.253 93 HD11 ILE 14 3HD1 ILE 14 -1.146 -1.265 -0.183 94 HD12 ILE 14 1HD1 ILE 14 -2.133 -2.725 -0.108 95 HD13 ILE 14 2HD1 ILE 14 -2.738 -1.219 0.580 96 H HIS 15 H HIS 15 -5.374 2.262 -3.361 97 HA HIS 15 HA HIS 15 -3.522 4.320 -4.322 98 HB2 HIS 15 2HB HIS 15 -6.543 4.177 -4.389 99 HB3 HIS 15 1HB HIS 15 -5.615 5.575 -4.918 100 HD1 HIS 15 1HD HIS 15 -6.904 2.354 -6.059 101 HD2 HIS 15 2HD HIS 15 -3.943 5.022 -7.238 102 HE1 HIS 15 1HE HIS 15 -6.313 1.705 -8.408 103 HE2 HIS 15 2HE HIS 15 -4.655 3.445 -9.163 104 H PHE 16 H PHE 16 -2.885 5.895 -3.030 105 HA PHE 16 HA PHE 16 -4.531 6.515 -0.661 106 HB2 PHE 16 2HB PHE 16 -1.526 6.680 -0.968 107 HB3 PHE 16 1HB PHE 16 -2.427 7.286 0.412 108 HD1 PHE 16 2HD PHE 16 -4.386 4.972 0.630 109 HD2 PHE 16 1HD PHE 16 -0.169 5.116 0.122 110 HE1 PHE 16 2HE PHE 16 -4.179 2.795 1.750 111 HE2 PHE 16 1HE PHE 16 0.042 2.935 1.239 112 HZ PHE 16 HZ PHE 16 -1.964 1.778 2.056 113 HA PRO 17 HA PRO 17 -4.751 10.639 -2.517 114 HB2 PRO 17 2HB PRO 17 -5.601 11.277 0.250 115 HB3 PRO 17 1HB PRO 17 -6.394 11.661 -1.280 116 HG2 PRO 17 2HG PRO 17 -7.364 9.769 0.321 117 HG3 PRO 17 1HG PRO 17 -7.378 9.566 -1.441 118 HD2 PRO 17 2HD PRO 17 -5.546 8.363 0.593 119 HD3 PRO 17 1HD PRO 17 -6.251 7.631 -0.864 120 H LEU 18 H LEU 18 -2.918 11.709 -2.728 121 HA LEU 18 HA LEU 18 -0.670 11.384 -1.140 122 HB2 LEU 18 2HB LEU 18 -0.693 12.096 -3.507 123 HB3 LEU 18 1HB LEU 18 -1.297 13.666 -3.015 124 HG LEU 18 HG LEU 18 1.284 12.745 -1.840 125 HD11 LEU 18 1HD1 LEU 18 0.992 13.800 -4.650 126 HD12 LEU 18 2HD1 LEU 18 1.515 12.177 -4.202 127 HD13 LEU 18 3HD1 LEU 18 2.512 13.572 -3.787 128 HD21 LEU 18 3HD2 LEU 18 1.811 15.128 -2.019 129 HD22 LEU 18 1HD2 LEU 18 0.296 14.875 -1.152 130 HD23 LEU 18 2HD2 LEU 18 0.272 15.411 -2.833 131 H LYS 19 H LYS 19 -3.159 13.867 -0.990 132 HA LYS 19 HA LYS 19 -1.649 15.543 0.798 133 HB2 LYS 19 2HB LYS 19 -4.543 15.569 -0.048 134 HB3 LYS 19 1HB LYS 19 -3.853 16.747 1.059 135 HG2 LYS 19 2HG LYS 19 -2.334 17.523 -0.645 136 HG3 LYS 19 1HG LYS 19 -2.891 16.267 -1.753 137 HD2 LYS 19 2HD LYS 19 -5.118 17.243 -1.760 138 HD3 LYS 19 1HD LYS 19 -4.600 18.487 -0.621 139 HE2 LYS 19 2HE LYS 19 -2.993 19.292 -2.288 140 HE3 LYS 19 1HE LYS 19 -3.545 18.033 -3.390 141 HZ1 LYS 19 3HZ LYS 19 -5.277 20.180 -2.306 142 HZ2 LYS 19 1HZ LYS 19 -5.712 19.019 -3.462 143 HZ3 LYS 19 2HZ LYS 19 -4.561 20.204 -3.837 144 H ARG 20 H ARG 20 -3.908 12.922 1.183 145 HA ARG 20 HA ARG 20 -4.303 13.586 3.991 146 HB2 ARG 20 2HB ARG 20 -5.564 11.521 2.212 147 HB3 ARG 20 1HB ARG 20 -5.787 11.511 3.954 148 HG2 ARG 20 2HG ARG 20 -7.566 12.779 3.502 149 HG3 ARG 20 1HG ARG 20 -6.387 14.084 3.393 150 HD2 ARG 20 2HD ARG 20 -7.077 14.442 1.307 151 HD3 ARG 20 1HD ARG 20 -6.400 12.873 0.869 152 HE ARG 20 HE ARG 20 -8.851 12.280 1.921 153 HH11 ARG 20 1HH1 ARG 20 -7.695 14.275 -0.737 154 HH12 ARG 20 2HH1 ARG 20 -9.186 14.151 -1.623 155 HH21 ARG 20 1HH2 ARG 20 -10.775 12.112 0.745 156 HH22 ARG 20 2HH2 ARG 20 -10.939 12.915 -0.786 157 H ILE 21 H ILE 21 -2.613 11.215 2.024 158 HA ILE 21 HA ILE 21 -1.968 9.482 4.188 159 HB ILE 21 HB ILE 21 -1.821 8.792 1.814 160 HG12 ILE 21 2HG1 ILE 21 0.174 7.423 2.030 161 HG13 ILE 21 1HG1 ILE 21 0.830 8.515 3.247 162 HG21 ILE 21 1HG2 ILE 21 0.631 10.544 1.765 163 HG22 ILE 21 2HG2 ILE 21 -0.857 10.791 0.852 164 HG23 ILE 21 3HG2 ILE 21 0.175 9.405 0.500 165 HD11 ILE 21 3HD1 ILE 21 -1.670 6.871 3.572 166 HD12 ILE 21 1HD1 ILE 21 -0.900 7.876 4.799 167 HD13 ILE 21 2HD1 ILE 21 -0.076 6.440 4.195 168 H ALA 22 H ALA 22 -0.814 12.542 3.180 169 HA ALA 22 HA ALA 22 1.665 12.378 4.686 170 HB1 ALA 22 1HB ALA 22 2.057 14.644 3.929 171 HB2 ALA 22 2HB ALA 22 0.409 14.750 3.311 172 HB3 ALA 22 3HB ALA 22 1.558 13.641 2.565 173 H ALA 23 H ALA 23 -1.532 12.843 5.402 174 HA ALA 23 HA ALA 23 -1.132 14.899 7.426 175 HB1 ALA 23 1HB ALA 23 -3.553 14.794 7.716 176 HB2 ALA 23 2HB ALA 23 -3.633 13.427 6.605 177 HB3 ALA 23 3HB ALA 23 -3.127 15.011 6.019 178 H GLU 24 H GLU 24 -1.530 14.576 9.621 179 HA GLU 24 HA GLU 24 -0.864 11.947 10.595 180 HB2 GLU 24 2HB GLU 24 -1.524 14.490 12.093 181 HB3 GLU 24 1HB GLU 24 -0.865 13.024 12.807 182 HG2 GLU 24 2HG GLU 24 1.151 13.261 11.471 183 HG3 GLU 24 1HG GLU 24 0.491 14.710 10.718 184 H GLY 25 H GLY 25 -3.697 13.821 10.098 185 HA2 GLY 25 2HA GLY 25 -5.337 12.010 11.712 186 HA3 GLY 25 1HA GLY 25 -5.892 13.472 10.904 187 H TYR 26 H TYR 26 -3.939 10.954 9.471 188 HA TYR 26 HA TYR 26 -5.466 10.831 7.127 189 HB2 TYR 26 2HB TYR 26 -4.060 8.893 6.554 190 HB3 TYR 26 1HB TYR 26 -3.106 10.233 7.172 191 HD1 TYR 26 1HD TYR 26 -2.048 10.091 9.382 192 HD2 TYR 26 2HD TYR 26 -4.216 6.810 7.767 193 HE1 TYR 26 1HE TYR 26 -1.020 8.599 11.043 194 HE2 TYR 26 2HE TYR 26 -3.198 5.312 9.421 195 HH TYR 26 HH TYR 26 -1.509 6.440 12.131 196 H ALA 27 H ALA 27 -5.700 9.079 10.127 197 HA ALA 27 HA ALA 27 -7.268 6.918 9.119 198 HB1 ALA 27 1HB ALA 27 -7.668 6.379 11.461 199 HB2 ALA 27 2HB ALA 27 -6.987 7.929 11.944 200 HB3 ALA 27 3HB ALA 27 -5.963 6.721 11.173 201 H GLU 28 H GLU 28 -7.959 10.140 9.505 202 HA GLU 28 HA GLU 28 -10.799 9.703 10.043 203 HB2 GLU 28 2HB GLU 28 -9.107 12.194 9.919 204 HB3 GLU 28 1HB GLU 28 -10.859 12.238 10.048 205 HG2 GLU 28 2HG GLU 28 -9.046 10.871 12.020 206 HG3 GLU 28 1HG GLU 28 -9.675 12.507 12.206 207 H ASP 29 H ASP 29 -8.785 9.700 7.441 208 HA ASP 29 HA ASP 29 -10.570 11.151 5.654 209 HB2 ASP 29 2HB ASP 29 -8.225 11.497 5.239 210 HB3 ASP 29 1HB ASP 29 -7.933 9.760 5.146 211 H GLU 30 H GLU 30 -12.195 10.209 4.675 212 HA GLU 30 HA GLU 30 -12.822 7.499 5.136 213 HB2 GLU 30 2HB GLU 30 -14.423 9.455 4.732 214 HB3 GLU 30 1HB GLU 30 -14.077 9.241 3.021 215 HG2 GLU 30 2HG GLU 30 -16.062 8.070 3.403 216 HG3 GLU 30 1HG GLU 30 -14.805 6.836 3.320 217 H LEU 31 H LEU 31 -11.314 9.222 2.512 218 HA LEU 31 HA LEU 31 -11.542 7.291 0.497 219 HB2 LEU 31 2HB LEU 31 -10.016 9.721 1.001 220 HB3 LEU 31 1HB LEU 31 -9.090 8.532 0.106 221 HG LEU 31 HG LEU 31 -10.212 10.110 -1.383 222 HD11 LEU 31 1HD1 LEU 31 -9.806 7.824 -2.126 223 HD12 LEU 31 2HD1 LEU 31 -11.272 8.488 -2.847 224 HD13 LEU 31 3HD1 LEU 31 -11.385 7.341 -1.512 225 HD21 LEU 31 3HD2 LEU 31 -12.754 9.026 -0.180 226 HD22 LEU 31 1HD2 LEU 31 -12.653 10.100 -1.575 227 HD23 LEU 31 2HD2 LEU 31 -12.122 10.662 0.011 228 H LEU 32 H LEU 32 -9.145 7.813 3.036 229 HA LEU 32 HA LEU 32 -7.390 5.788 2.115 230 HB2 LEU 32 2HB LEU 32 -6.771 7.780 3.469 231 HB3 LEU 32 1HB LEU 32 -7.635 7.084 4.829 232 HG LEU 32 HG LEU 32 -6.102 5.144 4.724 233 HD11 LEU 32 1HD1 LEU 32 -4.651 6.888 2.753 234 HD12 LEU 32 2HD1 LEU 32 -5.401 5.326 2.423 235 HD13 LEU 32 3HD1 LEU 32 -3.997 5.423 3.486 236 HD21 LEU 32 3HD2 LEU 32 -4.815 7.829 5.121 237 HD22 LEU 32 1HD2 LEU 32 -4.214 6.296 5.753 238 HD23 LEU 32 2HD2 LEU 32 -5.755 6.943 6.321 239 H LEU 33 H LEU 33 -9.985 6.044 4.431 240 HA LEU 33 HA LEU 33 -9.624 3.518 5.637 241 HB2 LEU 33 2HB LEU 33 -11.528 5.708 5.750 242 HB3 LEU 33 1HB LEU 33 -12.221 4.138 6.084 243 HG LEU 33 HG LEU 33 -11.482 5.336 8.116 244 HD11 LEU 33 1HD1 LEU 33 -11.617 2.901 8.092 245 HD12 LEU 33 2HD1 LEU 33 -10.307 3.462 9.129 246 HD13 LEU 33 3HD1 LEU 33 -9.949 2.814 7.529 247 HD21 LEU 33 3HD2 LEU 33 -9.562 6.512 7.181 248 HD22 LEU 33 1HD2 LEU 33 -8.723 4.977 6.955 249 HD23 LEU 33 2HD2 LEU 33 -9.089 5.551 8.583 250 H ASN 34 H ASN 34 -11.828 4.658 3.071 251 HA ASN 34 HA ASN 34 -13.094 2.104 2.904 252 HB2 ASN 34 2HB ASN 34 -14.357 2.976 1.037 253 HB3 ASN 34 1HB ASN 34 -14.294 4.178 2.310 254 HD21 ASN 34 1HD2 ASN 34 -14.654 5.956 1.117 255 HD22 ASN 34 2HD2 ASN 34 -13.607 6.525 -0.136 256 H GLN 35 H GLN 35 -10.420 3.634 1.290 257 HA GLN 35 HA GLN 35 -10.267 1.780 -0.883 258 HB2 GLN 35 2HB GLN 35 -9.136 4.231 -0.165 259 HB3 GLN 35 1HB GLN 35 -7.782 3.116 -0.206 260 HG2 GLN 35 2HG GLN 35 -7.869 2.883 -2.444 261 HG3 GLN 35 1HG GLN 35 -9.628 3.020 -2.499 262 HE21 GLN 35 1HE2 GLN 35 -7.872 5.403 -0.737 263 HE22 GLN 35 2HE2 GLN 35 -8.021 6.681 -1.886 264 H MET 36 H MET 36 -8.483 2.224 2.153 265 HA MET 36 HA MET 36 -7.074 -0.285 1.671 266 HB2 MET 36 2HB MET 36 -5.882 1.824 2.459 267 HB3 MET 36 1HB MET 36 -6.656 1.551 4.017 268 HG2 MET 36 2HG MET 36 -4.347 0.649 3.850 269 HG3 MET 36 1HG MET 36 -5.569 -0.553 4.275 270 HE1 MET 36 3HE MET 36 -3.564 -2.980 2.151 271 HE2 MET 36 1HE MET 36 -4.565 -2.740 3.581 272 HE3 MET 36 2HE MET 36 -3.025 -1.893 3.429 273 H GLY 37 H GLY 37 -9.921 0.641 3.007 274 HA2 GLY 37 2HA GLY 37 -9.970 -1.603 4.876 275 HA3 GLY 37 1HA GLY 37 -11.313 -0.523 4.501 276 H LYS 38 H LYS 38 -10.720 -0.750 1.625 277 HA LYS 38 HA LYS 38 -12.330 -2.986 0.965 278 HB2 LYS 38 2HB LYS 38 -12.178 -0.859 -0.349 279 HB3 LYS 38 1HB LYS 38 -10.565 -1.351 -0.851 280 HG2 LYS 38 2HG LYS 38 -12.205 -1.837 -2.579 281 HG3 LYS 38 1HG LYS 38 -11.503 -3.325 -1.943 282 HD2 LYS 38 2HD LYS 38 -13.462 -3.655 -0.527 283 HD3 LYS 38 1HD LYS 38 -14.162 -2.155 -1.134 284 HE2 LYS 38 2HE LYS 38 -14.223 -3.097 -3.386 285 HE3 LYS 38 1HE LYS 38 -13.510 -4.592 -2.784 286 HZ1 LYS 38 3HZ LYS 38 -16.116 -3.482 -1.895 287 HZ2 LYS 38 1HZ LYS 38 -15.443 -4.961 -1.424 288 HZ3 LYS 38 2HZ LYS 38 -15.930 -4.726 -3.028 289 H VAL 39 H VAL 39 -8.974 -2.265 -0.074 290 HA VAL 39 HA VAL 39 -8.647 -5.113 -0.635 291 HB VAL 39 HB VAL 39 -6.466 -4.477 -1.646 292 HG11 VAL 39 1HG1 VAL 39 -7.417 -3.338 -3.595 293 HG12 VAL 39 2HG1 VAL 39 -8.860 -2.947 -2.658 294 HG13 VAL 39 3HG1 VAL 39 -8.468 -4.629 -3.014 295 HG21 VAL 39 3HG2 VAL 39 -7.341 -1.649 -1.051 296 HG22 VAL 39 1HG2 VAL 39 -5.959 -2.120 -2.041 297 HG23 VAL 39 2HG2 VAL 39 -5.974 -2.489 -0.317 298 H ASN 40 H ASN 40 -8.823 -5.512 1.727 299 HA ASN 40 HA ASN 40 -6.227 -5.375 3.023 300 HB2 ASN 40 2HB ASN 40 -7.316 -3.224 3.480 301 HB3 ASN 40 1HB ASN 40 -8.673 -4.075 4.219 302 HD21 ASN 40 1HD2 ASN 40 -5.269 -4.832 4.467 303 HD22 ASN 40 2HD2 ASN 40 -5.145 -4.584 6.172 304 H ASP 41 H ASP 41 -9.478 -6.631 2.900 305 HA ASP 41 HA ASP 41 -9.409 -8.011 5.392 306 HB2 ASP 41 2HB ASP 41 -11.529 -7.487 4.262 307 HB3 ASP 41 1HB ASP 41 -11.100 -8.565 2.947 308 H THR 42 H THR 42 -8.835 -8.877 2.056 309 HA THR 42 HA THR 42 -7.609 -11.382 2.970 310 HB THR 42 HB THR 42 -9.088 -11.044 0.358 311 HG1 THR 42 1HG THR 42 -10.286 -10.958 2.590 312 HG21 THR 42 3HG2 THR 42 -9.067 -13.470 0.356 313 HG22 THR 42 1HG2 THR 42 -8.241 -13.478 1.913 314 HG23 THR 42 2HG2 THR 42 -7.424 -12.843 0.483 315 HA PRO 43 HA PRO 43 -4.609 -9.053 0.343 316 HB2 PRO 43 2HB PRO 43 -2.798 -8.395 2.216 317 HB3 PRO 43 1HB PRO 43 -4.264 -7.445 1.960 318 HG2 PRO 43 2HG PRO 43 -3.575 -9.270 4.184 319 HG3 PRO 43 1HG PRO 43 -4.701 -7.912 4.151 320 HD2 PRO 43 2HD PRO 43 -5.294 -10.698 3.913 321 HD3 PRO 43 1HD PRO 43 -6.420 -9.331 3.850 322 H GLU 44 H GLU 44 -4.663 -11.875 2.081 323 HA GLU 44 HA GLU 44 -3.450 -13.785 2.148 324 HB2 GLU 44 2HB GLU 44 -3.036 -13.419 -0.265 325 HB3 GLU 44 1HB GLU 44 -1.610 -12.472 0.135 326 HG2 GLU 44 2HG GLU 44 -1.081 -14.774 -0.550 327 HG3 GLU 44 1HG GLU 44 -0.531 -14.399 1.084 328 H GLU 45 H GLU 45 -1.490 -10.873 2.118 329 HA GLU 45 HA GLU 45 0.680 -11.540 3.644 330 HB2 GLU 45 2HB GLU 45 -0.753 -9.155 2.896 331 HB3 GLU 45 1HB GLU 45 -0.154 -9.010 4.540 332 HG2 GLU 45 2HG GLU 45 1.634 -9.909 2.328 333 HG3 GLU 45 1HG GLU 45 1.312 -8.198 2.610 334 H GLU 46 H GLU 46 -1.817 -9.602 5.182 335 HA GLU 46 HA GLU 46 -2.021 -11.470 7.417 336 HB2 GLU 46 2HB GLU 46 -1.310 -8.549 7.785 337 HB3 GLU 46 1HB GLU 46 -1.606 -9.711 9.064 338 HG2 GLU 46 2HG GLU 46 0.372 -10.979 8.329 339 HG3 GLU 46 1HG GLU 46 0.676 -9.745 7.107 340 H GLY 47 H GLY 47 -2.814 -8.083 6.943 341 HA2 GLY 47 2HA GLY 47 -5.279 -7.863 6.087 342 HA3 GLY 47 1HA GLY 47 -5.587 -8.607 7.647 343 H MET 48 H MET 48 -5.685 -7.303 9.414 344 HA MET 48 HA MET 48 -5.726 -4.549 9.166 345 HB2 MET 48 2HB MET 48 -6.883 -5.693 10.968 346 HB3 MET 48 1HB MET 48 -5.347 -6.185 11.663 347 HG2 MET 48 2HG MET 48 -6.375 -4.285 12.817 348 HG3 MET 48 1HG MET 48 -4.771 -3.938 12.172 349 HE1 MET 48 3HE MET 48 -5.861 -0.481 11.467 350 HE2 MET 48 1HE MET 48 -4.551 -1.606 11.828 351 HE3 MET 48 2HE MET 48 -5.910 -1.453 12.937 352 HA PRO 49 HA PRO 49 -1.245 -4.366 11.001 353 HB2 PRO 49 2HB PRO 49 -0.035 -6.917 10.228 354 HB3 PRO 49 1HB PRO 49 -0.051 -6.127 11.806 355 HG2 PRO 49 2HG PRO 49 -1.456 -8.380 11.288 356 HG3 PRO 49 1HG PRO 49 -1.998 -7.159 12.449 357 HD2 PRO 49 2HD PRO 49 -2.900 -7.641 9.638 358 HD3 PRO 49 1HD PRO 49 -3.852 -7.226 11.068 359 H LEU 50 H LEU 50 -1.890 -6.346 8.201 360 HA LEU 50 HA LEU 50 0.144 -5.550 6.474 361 HB2 LEU 50 2HB LEU 50 -1.206 -7.401 5.925 362 HB3 LEU 50 1HB LEU 50 -2.683 -6.497 6.130 363 HG LEU 50 HG LEU 50 -1.954 -7.225 3.781 364 HD11 LEU 50 1HD1 LEU 50 -2.945 -5.230 2.776 365 HD12 LEU 50 2HD1 LEU 50 -2.779 -4.385 4.317 366 HD13 LEU 50 3HD1 LEU 50 -3.842 -5.784 4.188 367 HD21 LEU 50 3HD2 LEU 50 0.327 -6.424 3.856 368 HD22 LEU 50 1HD2 LEU 50 -0.251 -4.773 4.091 369 HD23 LEU 50 2HD2 LEU 50 -0.588 -5.618 2.581 370 H ARG 51 H ARG 51 -3.054 -4.154 7.021 371 HA ARG 51 HA ARG 51 -2.756 -1.918 5.349 372 HB2 ARG 51 2HB ARG 51 -4.930 -2.271 5.891 373 HB3 ARG 51 1HB ARG 51 -4.569 -2.761 7.535 374 HG2 ARG 51 2HG ARG 51 -4.235 -0.412 8.144 375 HG3 ARG 51 1HG ARG 51 -4.622 0.060 6.485 376 HD2 ARG 51 2HD ARG 51 -6.845 -0.705 6.678 377 HD3 ARG 51 1HD ARG 51 -6.492 -1.589 8.161 378 HE ARG 51 HE ARG 51 -6.018 1.170 8.544 379 HH11 ARG 51 1HH1 ARG 51 -8.640 -1.124 8.155 380 HH12 ARG 51 2HH1 ARG 51 -9.754 -0.199 9.111 381 HH21 ARG 51 1HH2 ARG 51 -7.491 2.376 9.811 382 HH22 ARG 51 2HH2 ARG 51 -9.105 1.782 10.047 383 H ALA 52 H ALA 52 -2.175 -2.356 8.809 384 HA ALA 52 HA ALA 52 -1.506 0.266 9.431 385 HB1 ALA 52 1HB ALA 52 -0.419 -2.245 10.698 386 HB2 ALA 52 2HB ALA 52 -1.945 -1.465 11.109 387 HB3 ALA 52 3HB ALA 52 -0.421 -0.632 11.410 388 H TRP 53 H TRP 53 0.669 -2.412 8.408 389 HA TRP 53 HA TRP 53 2.960 -0.726 8.632 390 HB2 TRP 53 2HB TRP 53 4.278 -2.531 8.034 391 HB3 TRP 53 1HB TRP 53 2.882 -3.316 8.742 392 HD1 TRP 53 HD TRP 53 1.767 -5.157 7.357 393 HE1 TRP 53 1HE TRP 53 2.042 -6.074 4.957 394 HE3 TRP 53 3HE TRP 53 4.918 -1.595 5.465 395 HZ2 TRP 53 2HZ TRP 53 3.377 -5.361 2.594 396 HZ3 TRP 53 3HZ TRP 53 5.651 -1.798 3.126 397 HH2 TRP 53 HH TRP 53 4.894 -3.649 1.722 398 H VAL 54 H VAL 54 0.858 -1.656 5.963 399 HA VAL 54 HA VAL 54 2.581 -0.613 3.965 400 HB VAL 54 HB VAL 54 0.569 -2.304 3.801 401 HG11 VAL 54 1HG1 VAL 54 -1.368 -1.260 2.661 402 HG12 VAL 54 2HG1 VAL 54 -0.734 0.318 3.128 403 HG13 VAL 54 3HG1 VAL 54 -1.222 -0.838 4.367 404 HG21 VAL 54 3HG2 VAL 54 1.362 -0.379 1.622 405 HG22 VAL 54 1HG2 VAL 54 0.514 -1.903 1.361 406 HG23 VAL 54 2HG2 VAL 54 2.147 -1.906 2.029 407 H ILE 55 H ILE 55 -0.281 0.705 5.631 408 HA ILE 55 HA ILE 55 -0.203 3.232 4.381 409 HB ILE 55 HB ILE 55 -1.271 2.365 7.065 410 HG12 ILE 55 2HG1 ILE 55 -2.622 3.065 4.452 411 HG13 ILE 55 1HG1 ILE 55 -2.365 1.437 5.076 412 HG21 ILE 55 1HG2 ILE 55 -0.713 4.728 7.199 413 HG22 ILE 55 2HG2 ILE 55 -2.459 4.486 7.184 414 HG23 ILE 55 3HG2 ILE 55 -1.633 5.042 5.726 415 HD11 ILE 55 3HD1 ILE 55 -4.643 2.162 5.437 416 HD12 ILE 55 1HD1 ILE 55 -4.074 3.573 6.326 417 HD13 ILE 55 2HD1 ILE 55 -3.809 1.955 6.978 418 H LYS 56 H LYS 56 1.372 1.991 7.306 419 HA LYS 56 HA LYS 56 2.615 4.344 8.160 420 HB2 LYS 56 2HB LYS 56 2.726 2.563 9.663 421 HB3 LYS 56 1HB LYS 56 3.259 1.430 8.433 422 HG2 LYS 56 2HG LYS 56 5.448 2.582 8.376 423 HG3 LYS 56 1HG LYS 56 4.899 3.616 9.697 424 HD2 LYS 56 2HD LYS 56 4.796 1.817 11.205 425 HD3 LYS 56 1HD LYS 56 4.863 0.620 9.910 426 HE2 LYS 56 2HE LYS 56 6.984 0.770 11.129 427 HE3 LYS 56 1HE LYS 56 7.164 1.221 9.436 428 HZ1 LYS 56 3HZ LYS 56 7.361 3.467 9.980 429 HZ2 LYS 56 1HZ LYS 56 8.303 2.672 11.141 430 HZ3 LYS 56 2HZ LYS 56 6.766 3.248 11.553 431 H CYS 57 H CYS 57 3.826 1.815 5.974 432 HA CYS 57 HA CYS 57 6.334 2.980 5.504 433 HB2 CYS 57 2HB CYS 57 5.770 0.623 4.992 434 HB3 CYS 57 1HB CYS 57 4.748 1.173 3.669 435 HG CYS 57 HG CYS 57 7.507 2.587 3.001 436 H ALA 58 H ALA 58 3.283 3.220 3.721 437 HA ALA 58 HA ALA 58 4.250 4.869 1.648 438 HB1 ALA 58 1HB ALA 58 2.150 3.654 1.472 439 HB2 ALA 58 2HB ALA 58 1.892 5.381 1.226 440 HB3 ALA 58 3HB ALA 58 1.457 4.636 2.763 441 H HIS 59 H HIS 59 2.830 5.572 4.796 442 HA HIS 59 HA HIS 59 2.561 8.344 4.578 443 HB2 HIS 59 2HB HIS 59 1.726 6.794 6.428 444 HB3 HIS 59 1HB HIS 59 3.349 6.865 7.097 445 HD1 HIS 59 1HD HIS 59 1.271 7.816 8.931 446 HD2 HIS 59 2HD HIS 59 2.956 10.342 6.101 447 HE1 HIS 59 1HE HIS 59 0.867 10.144 9.783 448 HE2 HIS 59 2HE HIS 59 2.082 11.637 8.163 449 H GLU 60 H GLU 60 5.273 6.415 5.836 450 HA GLU 60 HA GLU 60 6.950 8.620 6.389 451 HB2 GLU 60 2HB GLU 60 7.665 5.734 5.865 452 HB3 GLU 60 1HB GLU 60 8.762 6.939 6.525 453 HG2 GLU 60 2HG GLU 60 7.204 7.213 8.440 454 HG3 GLU 60 1HG GLU 60 6.253 5.875 7.797 455 H ALA 61 H ALA 61 6.753 6.422 3.611 456 HA ALA 61 HA ALA 61 8.987 7.423 2.222 457 HB1 ALA 61 1HB ALA 61 7.950 5.262 1.716 458 HB2 ALA 61 2HB ALA 61 8.081 6.272 0.277 459 HB3 ALA 61 3HB ALA 61 6.526 6.093 1.090 460 H LEU 62 H LEU 62 5.564 8.300 2.111 461 HA LEU 62 HA LEU 62 5.791 10.063 -0.083 462 HB2 LEU 62 2HB LEU 62 3.700 9.000 0.742 463 HB3 LEU 62 1HB LEU 62 3.722 10.085 2.114 464 HG LEU 62 HG LEU 62 2.109 10.717 0.337 465 HD11 LEU 62 1HD1 LEU 62 2.982 12.423 1.852 466 HD12 LEU 62 2HD1 LEU 62 2.630 13.074 0.253 467 HD13 LEU 62 3HD1 LEU 62 4.297 12.744 0.723 468 HD21 LEU 62 3HD2 LEU 62 2.944 11.679 -1.748 469 HD22 LEU 62 1HD2 LEU 62 3.339 9.968 -1.593 470 HD23 LEU 62 2HD2 LEU 62 4.579 11.189 -1.310 471 H GLU 63 H GLU 63 5.815 10.658 3.453 472 HA GLU 63 HA GLU 63 6.067 13.475 3.143 473 HB2 GLU 63 2HB GLU 63 6.759 11.687 5.476 474 HB3 GLU 63 1HB GLU 63 6.817 13.441 5.533 475 HG2 GLU 63 2HG GLU 63 4.395 13.458 4.929 476 HG3 GLU 63 1HG GLU 63 4.404 11.703 5.123 477 H LYS 64 H LYS 64 8.388 10.871 3.205 478 HA LYS 64 HA LYS 64 10.722 12.375 3.689 479 HB2 LYS 64 2HB LYS 64 10.645 9.922 3.818 480 HB3 LYS 64 1HB LYS 64 10.357 9.835 2.087 481 HG2 LYS 64 2HG LYS 64 12.567 10.848 1.693 482 HG3 LYS 64 1HG LYS 64 12.850 10.848 3.435 483 HD2 LYS 64 2HD LYS 64 12.635 8.419 3.481 484 HD3 LYS 64 1HD LYS 64 12.314 8.405 1.746 485 HE2 LYS 64 2HE LYS 64 14.539 9.368 1.348 486 HE3 LYS 64 1HE LYS 64 14.856 9.326 3.080 487 HZ1 LYS 64 3HZ LYS 64 14.580 6.909 3.010 488 HZ2 LYS 64 1HZ LYS 64 15.839 7.426 2.004 489 HZ3 LYS 64 2HZ LYS 64 14.353 6.981 1.336 490 H ASN 65 H ASN 65 8.899 11.667 0.800 491 HA ASN 65 HA ASN 65 10.247 13.813 -0.616 492 HB2 ASN 65 2HB ASN 65 10.346 12.231 -2.677 493 HB3 ASN 65 1HB ASN 65 11.614 12.121 -1.466 494 HD21 ASN 65 1HD2 ASN 65 8.616 10.671 -2.556 495 HD22 ASN 65 2HD2 ASN 65 8.954 9.073 -1.987 496 HA PRO 66 HA PRO 66 5.653 13.483 -0.965 497 HB2 PRO 66 2HB PRO 66 5.040 16.012 -0.319 498 HB3 PRO 66 1HB PRO 66 5.505 14.831 0.903 499 HG2 PRO 66 2HG PRO 66 7.173 16.957 -0.393 500 HG3 PRO 66 1HG PRO 66 7.060 16.518 1.322 501 HD2 PRO 66 2HD PRO 66 9.064 15.653 -0.312 502 HD3 PRO 66 1HD PRO 66 8.480 14.730 1.085 503 H LYS 67 H LYS 67 7.398 13.771 -3.193 504 HA LYS 67 HA LYS 67 5.724 15.448 -4.924 505 HB2 LYS 67 2HB LYS 67 8.748 15.317 -4.980 506 HB3 LYS 67 1HB LYS 67 7.748 16.169 -6.151 507 HG2 LYS 67 2HG LYS 67 7.004 17.718 -4.487 508 HG3 LYS 67 1HG LYS 67 7.787 16.792 -3.206 509 HD2 LYS 67 2HD LYS 67 9.975 17.259 -4.289 510 HD3 LYS 67 1HD LYS 67 9.135 18.298 -5.444 511 HE2 LYS 67 2HE LYS 67 8.387 19.742 -3.664 512 HE3 LYS 67 1HE LYS 67 9.071 18.661 -2.454 513 HZ1 LYS 67 3HZ LYS 67 10.603 20.202 -4.475 514 HZ2 LYS 67 1HZ LYS 67 11.272 19.140 -3.342 515 HZ3 LYS 67 2HZ LYS 67 10.503 20.551 -2.825 516 H ILE 68 H ILE 68 5.884 12.559 -4.305 517 HA ILE 68 HA ILE 68 6.932 11.473 -6.817 518 HB ILE 68 HB ILE 68 6.595 9.241 -5.735 519 HG12 ILE 68 2HG1 ILE 68 6.234 10.862 -3.192 520 HG13 ILE 68 1HG1 ILE 68 4.933 10.031 -4.037 521 HG21 ILE 68 1HG2 ILE 68 8.601 9.466 -4.302 522 HG22 ILE 68 2HG2 ILE 68 8.474 11.218 -4.475 523 HG23 ILE 68 3HG2 ILE 68 8.766 10.210 -5.892 524 HD11 ILE 68 3HD1 ILE 68 5.733 8.754 -2.135 525 HD12 ILE 68 1HD1 ILE 68 7.355 8.722 -2.829 526 HD13 ILE 68 2HD1 ILE 68 6.028 7.898 -3.649 527 H ARG 69 H ARG 69 5.573 9.207 -7.110 528 HA ARG 69 HA ARG 69 2.809 10.110 -7.611 529 HB2 ARG 69 2HB ARG 69 4.265 10.112 -9.650 530 HB3 ARG 69 1HB ARG 69 4.490 8.383 -9.436 531 HG2 ARG 69 2HG ARG 69 2.020 8.113 -9.645 532 HG3 ARG 69 1HG ARG 69 1.925 9.827 -10.056 533 HD2 ARG 69 2HD ARG 69 1.966 8.672 -12.113 534 HD3 ARG 69 1HD ARG 69 3.581 9.341 -11.903 535 HE ARG 69 HE ARG 69 2.908 6.515 -11.336 536 HH11 ARG 69 1HH1 ARG 69 5.089 8.949 -12.615 537 HH12 ARG 69 2HH1 ARG 69 6.271 7.793 -13.131 538 HH21 ARG 69 1HH2 ARG 69 4.457 5.001 -12.035 539 HH22 ARG 69 2HH2 ARG 69 5.918 5.548 -12.799 540 H GLU 70 H GLU 70 4.962 7.310 -7.274 541 HA GLU 70 HA GLU 70 3.070 5.881 -5.680 542 HB2 GLU 70 2HB GLU 70 2.792 3.995 -7.275 543 HB3 GLU 70 1HB GLU 70 2.038 5.496 -7.820 544 HG2 GLU 70 2HG GLU 70 4.039 5.921 -9.226 545 HG3 GLU 70 1HG GLU 70 4.660 4.341 -8.758 546 H VAL 71 H VAL 71 3.918 3.802 -4.945 547 HA VAL 71 HA VAL 71 6.776 3.394 -5.488 548 HB VAL 71 HB VAL 71 7.176 2.824 -3.124 549 HG11 VAL 71 1HG1 VAL 71 7.719 5.060 -3.886 550 HG12 VAL 71 2HG1 VAL 71 7.141 5.107 -2.222 551 HG13 VAL 71 3HG1 VAL 71 6.077 5.600 -3.540 552 HG21 VAL 71 3HG2 VAL 71 5.532 3.474 -1.410 553 HG22 VAL 71 1HG2 VAL 71 4.934 2.187 -2.460 554 HG23 VAL 71 2HG2 VAL 71 4.372 3.844 -2.685 555 H TYR 72 H TYR 72 7.511 1.218 -5.054 556 HA TYR 72 HA TYR 72 5.318 -0.733 -5.323 557 HB2 TYR 72 2HB TYR 72 8.137 -0.944 -6.410 558 HB3 TYR 72 1HB TYR 72 6.824 -2.089 -6.679 559 HD1 TYR 72 2HD TYR 72 4.723 -1.195 -7.863 560 HD2 TYR 72 1HD TYR 72 8.458 0.834 -7.895 561 HE1 TYR 72 2HE TYR 72 4.007 0.085 -9.834 562 HE2 TYR 72 1HE TYR 72 7.744 2.123 -9.865 563 HH TYR 72 HH TYR 72 4.561 2.303 -10.890 564 H LEU 73 H LEU 73 5.082 -2.003 -3.625 565 HA LEU 73 HA LEU 73 7.310 -2.137 -1.721 566 HB2 LEU 73 2HB LEU 73 4.410 -1.778 -1.467 567 HB3 LEU 73 1HB LEU 73 5.122 -2.863 -0.290 568 HG LEU 73 HG LEU 73 6.072 -0.041 -0.776 569 HD11 LEU 73 1HD1 LEU 73 4.305 -1.140 1.410 570 HD12 LEU 73 2HD1 LEU 73 3.798 -0.049 0.120 571 HD13 LEU 73 3HD1 LEU 73 4.956 0.497 1.332 572 HD21 LEU 73 3HD2 LEU 73 7.187 -0.444 1.428 573 HD22 LEU 73 1HD2 LEU 73 7.815 -1.423 0.101 574 HD23 LEU 73 2HD2 LEU 73 6.724 -2.141 1.283 575 H LYS 74 H LYS 74 8.064 -3.964 -0.943 576 HA LYS 74 HA LYS 74 6.804 -6.513 -1.680 577 HB2 LYS 74 2HB LYS 74 9.258 -6.172 -2.132 578 HB3 LYS 74 1HB LYS 74 9.506 -5.990 -0.404 579 HG2 LYS 74 2HG LYS 74 9.965 -8.178 -0.466 580 HG3 LYS 74 1HG LYS 74 8.213 -8.370 -0.493 581 HD2 LYS 74 2HD LYS 74 9.967 -8.216 -2.941 582 HD3 LYS 74 1HD LYS 74 9.361 -9.711 -2.225 583 HE2 LYS 74 2HE LYS 74 7.059 -8.932 -2.604 584 HE3 LYS 74 1HE LYS 74 7.692 -7.469 -3.360 585 HZ1 LYS 74 3HZ LYS 74 7.018 -9.238 -4.940 586 HZ2 LYS 74 1HZ LYS 74 8.264 -10.205 -4.341 587 HZ3 LYS 74 2HZ LYS 74 8.626 -8.748 -5.112 588 HA PRO 75 HA PRO 75 5.126 -6.183 2.393 589 HB2 PRO 75 2HB PRO 75 3.671 -8.419 2.466 590 HB3 PRO 75 1HB PRO 75 3.256 -7.085 1.381 591 HG2 PRO 75 2HG PRO 75 4.746 -9.610 0.787 592 HG3 PRO 75 1HG PRO 75 3.426 -8.859 -0.130 593 HD2 PRO 75 2HD PRO 75 6.044 -8.560 -0.795 594 HD3 PRO 75 1HD PRO 75 4.820 -7.324 -1.121 595 H ARG 76 H ARG 76 4.579 -8.068 4.207 596 HA ARG 76 HA ARG 76 7.200 -8.512 5.275 597 HB2 ARG 76 2HB ARG 76 4.582 -9.498 6.402 598 HB3 ARG 76 1HB ARG 76 6.080 -9.200 7.274 599 HG2 ARG 76 2HG ARG 76 5.875 -6.816 6.860 600 HG3 ARG 76 1HG ARG 76 4.403 -7.092 5.929 601 HD2 ARG 76 2HD ARG 76 3.715 -6.399 8.080 602 HD3 ARG 76 1HD ARG 76 3.428 -8.137 8.004 603 HE ARG 76 HE ARG 76 5.974 -7.712 9.079 604 HH11 ARG 76 1HH1 ARG 76 2.596 -7.313 9.906 605 HH12 ARG 76 2HH1 ARG 76 2.894 -7.325 11.620 606 HH21 ARG 76 1HH2 ARG 76 6.363 -7.743 11.324 607 HH22 ARG 76 2HH2 ARG 76 5.035 -7.571 12.427 608 H ALA 77 H ALA 77 4.538 -10.639 4.263 609 HA ALA 77 HA ALA 77 5.967 -13.054 4.753 610 HB1 ALA 77 1HB ALA 77 3.568 -12.578 2.988 611 HB2 ALA 77 2HB ALA 77 3.524 -12.971 4.709 612 HB3 ALA 77 3HB ALA 77 4.149 -14.145 3.551 613 H VAL 78 H VAL 78 7.969 -12.383 3.680 614 HA VAL 78 HA VAL 78 8.133 -12.145 0.864 615 HB VAL 78 HB VAL 78 10.568 -12.568 1.176 616 HG11 VAL 78 1HG1 VAL 78 10.992 -10.547 2.511 617 HG12 VAL 78 2HG1 VAL 78 9.316 -10.571 3.059 618 HG13 VAL 78 3HG1 VAL 78 9.683 -10.316 1.353 619 HG21 VAL 78 3HG2 VAL 78 10.424 -14.147 3.036 620 HG22 VAL 78 1HG2 VAL 78 9.816 -12.866 4.082 621 HG23 VAL 78 2HG2 VAL 78 11.456 -12.777 3.443 622 H LYS 79 H LYS 79 7.722 -14.837 2.921 623 HA LYS 79 HA LYS 79 8.857 -16.862 1.289 624 HB2 LYS 79 2HB LYS 79 6.587 -17.041 3.283 625 HB3 LYS 79 1HB LYS 79 7.446 -18.412 2.598 626 HG2 LYS 79 2HG LYS 79 8.679 -16.270 4.316 627 HG3 LYS 79 1HG LYS 79 8.191 -17.873 4.869 628 HD2 LYS 79 2HD LYS 79 9.788 -18.883 3.298 629 HD3 LYS 79 1HD LYS 79 10.288 -17.271 2.782 630 HE2 LYS 79 2HE LYS 79 10.529 -18.376 5.578 631 HE3 LYS 79 1HE LYS 79 11.845 -18.236 4.415 632 HZ1 LYS 79 3HZ LYS 79 11.860 -16.406 5.980 633 HZ2 LYS 79 1HZ LYS 79 10.286 -15.977 5.545 634 HZ3 LYS 79 2HZ LYS 79 11.537 -15.838 4.421 635 H ASN 80 H ASN 80 5.929 -15.054 1.189 636 HA ASN 80 HA ASN 80 4.311 -16.779 -0.351 637 HB2 ASN 80 2HB ASN 80 3.576 -14.732 0.928 638 HB3 ASN 80 1HB ASN 80 4.265 -13.762 -0.369 639 HD21 ASN 80 1HD2 ASN 80 2.316 -12.870 -0.907 640 HD22 ASN 80 2HD2 ASN 80 1.078 -13.777 -1.709 641 H SER 81 H SER 81 6.908 -14.635 -1.118 642 HA SER 81 HA SER 81 8.249 -14.467 -2.918 643 HB2 SER 81 2HB SER 81 6.652 -16.760 -4.075 644 HB3 SER 81 1HB SER 81 8.238 -16.210 -4.617 645 HG SER 81 HG SER 81 7.629 -17.236 -2.030 646 H SER 82 H SER 82 5.340 -15.483 -4.698 647 HA SER 82 HA SER 82 5.805 -13.312 -6.543 648 HB2 SER 82 2HB SER 82 3.637 -15.419 -6.610 649 HB3 SER 82 1HB SER 82 4.204 -14.430 -7.956 650 HG SER 82 HG SER 82 6.099 -15.545 -7.989 651 H VAL 83 H VAL 83 5.238 -11.901 -4.524 652 HA VAL 83 HA VAL 83 2.487 -10.990 -4.941 653 HB VAL 83 HB VAL 83 2.433 -12.348 -2.896 654 HG11 VAL 83 1HG1 VAL 83 4.732 -12.155 -2.179 655 HG12 VAL 83 2HG1 VAL 83 3.662 -11.614 -0.887 656 HG13 VAL 83 3HG1 VAL 83 4.523 -10.431 -1.870 657 HG21 VAL 83 3HG2 VAL 83 1.461 -10.671 -1.394 658 HG22 VAL 83 1HG2 VAL 83 0.942 -10.435 -3.063 659 HG23 VAL 83 2HG2 VAL 83 2.180 -9.389 -2.368 660 H GLN 84 H GLN 84 2.329 -8.821 -5.098 661 HA GLN 84 HA GLN 84 4.468 -7.166 -3.974 662 HB2 GLN 84 2HB GLN 84 3.480 -6.969 -6.823 663 HB3 GLN 84 1HB GLN 84 4.527 -5.794 -6.038 664 HG2 GLN 84 2HG GLN 84 6.222 -7.551 -5.728 665 HG3 GLN 84 1HG GLN 84 5.177 -8.674 -6.601 666 HE21 GLN 84 1HE2 GLN 84 6.597 -9.015 -8.250 667 HE22 GLN 84 2HE2 GLN 84 6.979 -7.806 -9.427 668 H PHE 85 H PHE 85 3.765 -5.298 -3.114 669 HA PHE 85 HA PHE 85 0.917 -4.666 -3.485 670 HB2 PHE 85 2HB PHE 85 2.835 -4.104 -1.223 671 HB3 PHE 85 1HB PHE 85 1.334 -3.197 -1.411 672 HD1 PHE 85 2HD PHE 85 2.531 -6.736 -1.326 673 HD2 PHE 85 1HD PHE 85 -0.539 -3.963 -0.344 674 HE1 PHE 85 2HE PHE 85 1.279 -8.527 -0.194 675 HE2 PHE 85 1HE PHE 85 -1.798 -5.747 0.784 676 HZ PHE 85 HZ PHE 85 -0.889 -8.034 0.861 677 H HIS 86 H HIS 86 0.453 -3.018 -4.689 678 HA HIS 86 HA HIS 86 2.618 -1.221 -5.533 679 HB2 HIS 86 2HB HIS 86 1.489 -2.629 -7.245 680 HB3 HIS 86 1HB HIS 86 -0.038 -1.863 -6.845 681 HD1 HIS 86 1HD HIS 86 0.394 -1.565 -9.614 682 HD2 HIS 86 2HD HIS 86 2.381 0.963 -6.983 683 HE1 HIS 86 1HE HIS 86 1.072 0.425 -10.978 684 HE2 HIS 86 2HE HIS 86 2.386 1.889 -9.407 685 H VAL 87 H VAL 87 2.589 0.522 -4.214 686 HA VAL 87 HA VAL 87 0.031 1.636 -3.357 687 HB VAL 87 HB VAL 87 2.860 2.345 -2.568 688 HG11 VAL 87 1HG1 VAL 87 1.841 3.786 -0.862 689 HG12 VAL 87 2HG1 VAL 87 0.249 3.459 -1.551 690 HG13 VAL 87 3HG1 VAL 87 1.460 4.327 -2.498 691 HG21 VAL 87 3HG2 VAL 87 2.213 1.433 -0.385 692 HG22 VAL 87 1HG2 VAL 87 2.121 0.219 -1.662 693 HG23 VAL 87 2HG2 VAL 87 0.647 0.972 -1.051 694 H ILE 88 H ILE 88 -0.896 3.031 -4.661 695 HA ILE 88 HA ILE 88 0.796 4.845 -6.241 696 HB ILE 88 HB ILE 88 -2.082 4.016 -6.652 697 HG12 ILE 88 2HG1 ILE 88 0.381 3.494 -8.328 698 HG13 ILE 88 1HG1 ILE 88 -0.341 2.328 -7.222 699 HG21 ILE 88 1HG2 ILE 88 -1.759 6.335 -7.309 700 HG22 ILE 88 2HG2 ILE 88 -1.977 5.311 -8.728 701 HG23 ILE 88 3HG2 ILE 88 -0.367 5.878 -8.289 702 HD11 ILE 88 3HD1 ILE 88 -1.672 3.510 -9.644 703 HD12 ILE 88 1HD1 ILE 88 -2.385 2.334 -8.541 704 HD13 ILE 88 2HD1 ILE 88 -0.986 1.889 -9.518 705 H PHE 89 H PHE 89 0.628 7.004 -5.978 706 HA PHE 89 HA PHE 89 -1.036 7.886 -3.739 707 HB2 PHE 89 2HB PHE 89 1.467 9.012 -4.980 708 HB3 PHE 89 1HB PHE 89 0.505 9.887 -3.789 709 HD1 PHE 89 2HD PHE 89 0.079 8.817 -1.569 710 HD2 PHE 89 1HD PHE 89 2.988 7.364 -4.308 711 HE1 PHE 89 2HE PHE 89 1.144 7.546 0.242 712 HE2 PHE 89 1HE PHE 89 4.049 6.076 -2.499 713 HZ PHE 89 HZ PHE 89 3.111 6.180 -0.236 714 H ASP 90 H ASP 90 -2.919 8.646 -4.411 715 HA ASP 90 HA ASP 90 -3.277 9.760 -7.050 716 HB2 ASP 90 2HB ASP 90 -4.984 8.332 -5.829 717 HB3 ASP 90 1HB ASP 90 -5.282 9.715 -4.793 718 H GLU 91 H GLU 91 -3.730 11.928 -7.531 719 HA GLU 91 HA GLU 91 -2.613 13.744 -5.585 720 HB2 GLU 91 2HB GLU 91 -1.995 14.032 -7.905 721 HB3 GLU 91 1HB GLU 91 -3.680 14.141 -8.387 722 HG2 GLU 91 2HG GLU 91 -2.613 16.316 -8.411 723 HG3 GLU 91 1HG GLU 91 -3.898 16.252 -7.209 724 H GLU 92 H GLU 92 -3.861 14.114 -3.979 725 HA GLU 92 HA GLU 92 -5.536 16.148 -3.717 726 HB2 GLU 92 2HB GLU 92 -7.091 13.884 -4.780 727 HB3 GLU 92 1HB GLU 92 -7.743 14.559 -3.293 728 HG2 GLU 92 2HG GLU 92 -7.197 16.042 -5.854 729 HG3 GLU 92 1HG GLU 92 -8.775 15.614 -5.196 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -11.010 -26.675 -4.359 2 H2 GLY 1 2HT GLY 1 -12.107 -25.639 -3.600 3 H3 GLY 1 3HT GLY 1 -10.865 -26.355 -2.706 4 HA2 GLY 1 1HA GLY 1 -10.341 -24.054 -3.148 5 HA3 GLY 1 2HA GLY 1 -9.209 -25.132 -3.954 6 H SER 2 H SER 2 -12.067 -23.123 -4.420 7 HA SER 2 HA SER 2 -11.818 -23.323 -7.313 8 HB2 SER 2 2HB SER 2 -13.801 -21.777 -5.627 9 HB3 SER 2 1HB SER 2 -13.900 -22.038 -7.370 10 HG SER 2 HG SER 2 -13.726 -24.234 -5.609 11 H ALA 3 H ALA 3 -11.314 -21.005 -4.722 12 HA ALA 3 HA ALA 3 -10.460 -19.006 -6.701 13 HB1 ALA 3 1HB ALA 3 -10.737 -17.346 -4.947 14 HB2 ALA 3 2HB ALA 3 -11.134 -18.612 -3.786 15 HB3 ALA 3 3HB ALA 3 -12.217 -18.286 -5.140 16 H MET 4 H MET 4 -8.458 -20.220 -6.989 17 HA MET 4 HA MET 4 -6.597 -20.062 -4.727 18 HB2 MET 4 2HB MET 4 -5.250 -21.662 -5.823 19 HB3 MET 4 1HB MET 4 -6.898 -22.209 -6.087 20 HG2 MET 4 2HG MET 4 -5.233 -20.676 -8.074 21 HG3 MET 4 1HG MET 4 -5.490 -22.419 -8.087 22 HE1 MET 4 3HE MET 4 -9.254 -22.749 -8.943 23 HE2 MET 4 1HE MET 4 -8.490 -22.794 -7.356 24 HE3 MET 4 2HE MET 4 -7.721 -23.592 -8.727 25 H GLY 5 H GLY 5 -4.293 -19.483 -5.376 26 HA2 GLY 5 2HA GLY 5 -4.322 -16.926 -6.698 27 HA3 GLY 5 1HA GLY 5 -2.929 -17.711 -5.966 28 H HIS 6 H HIS 6 -5.055 -17.802 -8.785 29 HA HIS 6 HA HIS 6 -3.396 -19.494 -10.340 30 HB2 HIS 6 2HB HIS 6 -5.777 -19.214 -10.836 31 HB3 HIS 6 1HB HIS 6 -5.515 -17.514 -11.204 32 HD1 HIS 6 1HD HIS 6 -5.164 -16.989 -13.596 33 HD2 HIS 6 2HD HIS 6 -4.292 -20.964 -12.737 34 HE1 HIS 6 1HE HIS 6 -4.635 -18.060 -15.808 35 HE2 HIS 6 2HE HIS 6 -4.192 -20.484 -15.278 36 H MET 7 H MET 7 -3.537 -16.055 -9.809 37 HA MET 7 HA MET 7 -1.773 -15.265 -11.881 38 HB2 MET 7 2HB MET 7 -2.414 -13.994 -9.213 39 HB3 MET 7 1HB MET 7 -1.432 -13.226 -10.449 40 HG2 MET 7 2HG MET 7 -3.326 -13.255 -11.980 41 HG3 MET 7 1HG MET 7 -4.311 -14.046 -10.756 42 HE1 MET 7 3HE MET 7 -4.671 -11.272 -8.039 43 HE2 MET 7 1HE MET 7 -3.515 -12.602 -8.090 44 HE3 MET 7 2HE MET 7 -5.193 -12.872 -8.563 45 HA PRO 8 HA PRO 8 1.954 -17.106 -10.190 46 HB2 PRO 8 2HB PRO 8 3.664 -15.730 -11.865 47 HB3 PRO 8 1HB PRO 8 2.849 -17.240 -12.288 48 HG2 PRO 8 2HG PRO 8 2.114 -14.429 -12.979 49 HG3 PRO 8 1HG PRO 8 2.031 -15.890 -13.979 50 HD2 PRO 8 2HD PRO 8 -0.160 -14.842 -12.843 51 HD3 PRO 8 1HD PRO 8 0.049 -16.595 -13.010 52 H ALA 9 H ALA 9 1.654 -13.666 -10.902 53 HA ALA 9 HA ALA 9 2.895 -13.107 -8.299 54 HB1 ALA 9 1HB ALA 9 4.387 -12.365 -10.096 55 HB2 ALA 9 2HB ALA 9 3.735 -10.992 -9.200 56 HB3 ALA 9 3HB ALA 9 3.081 -11.403 -10.785 57 H VAL 10 H VAL 10 1.509 -12.190 -6.928 58 HA VAL 10 HA VAL 10 -1.064 -11.312 -7.986 59 HB VAL 10 HB VAL 10 -0.180 -11.666 -5.114 60 HG11 VAL 10 1HG1 VAL 10 -2.928 -11.254 -6.289 61 HG12 VAL 10 2HG1 VAL 10 -2.023 -10.095 -5.315 62 HG13 VAL 10 3HG1 VAL 10 -2.580 -11.605 -4.595 63 HG21 VAL 10 3HG2 VAL 10 -0.154 -13.784 -6.304 64 HG22 VAL 10 1HG2 VAL 10 -1.791 -13.493 -6.895 65 HG23 VAL 10 2HG2 VAL 10 -1.504 -13.735 -5.171 66 H ASP 11 H ASP 11 -1.402 -9.250 -8.404 67 HA ASP 11 HA ASP 11 0.257 -7.242 -7.041 68 HB2 ASP 11 2HB ASP 11 -1.223 -7.052 -9.675 69 HB3 ASP 11 1HB ASP 11 -0.284 -5.756 -8.948 70 H VAL 12 H VAL 12 -0.734 -6.126 -5.515 71 HA VAL 12 HA VAL 12 -3.654 -5.771 -5.701 72 HB VAL 12 HB VAL 12 -1.908 -5.519 -3.244 73 HG11 VAL 12 1HG1 VAL 12 -3.930 -4.169 -3.126 74 HG12 VAL 12 2HG1 VAL 12 -4.031 -5.537 -2.018 75 HG13 VAL 12 3HG1 VAL 12 -4.910 -5.574 -3.547 76 HG21 VAL 12 3HG2 VAL 12 -1.950 -7.825 -4.024 77 HG22 VAL 12 1HG2 VAL 12 -3.713 -7.786 -4.086 78 HG23 VAL 12 2HG2 VAL 12 -2.882 -7.654 -2.536 79 H GLU 13 H GLU 13 -4.507 -3.729 -5.680 80 HA GLU 13 HA GLU 13 -2.549 -1.576 -6.058 81 HB2 GLU 13 2HB GLU 13 -5.438 -1.677 -6.944 82 HB3 GLU 13 1HB GLU 13 -4.257 -0.445 -7.364 83 HG2 GLU 13 2HG GLU 13 -4.149 -3.340 -8.176 84 HG3 GLU 13 1HG GLU 13 -4.637 -1.993 -9.201 85 H ILE 14 H ILE 14 -2.294 -0.381 -4.295 86 HA ILE 14 HA ILE 14 -4.673 0.248 -2.673 87 HB ILE 14 HB ILE 14 -1.790 0.695 -1.854 88 HG12 ILE 14 2HG1 ILE 14 -3.597 -1.639 -1.149 89 HG13 ILE 14 1HG1 ILE 14 -2.169 -1.724 -2.176 90 HG21 ILE 14 1HG2 ILE 14 -2.758 0.870 0.393 91 HG22 ILE 14 2HG2 ILE 14 -4.369 0.632 -0.289 92 HG23 ILE 14 3HG2 ILE 14 -3.435 2.068 -0.711 93 HD11 ILE 14 3HD1 ILE 14 -1.683 -2.563 0.044 94 HD12 ILE 14 1HD1 ILE 14 -2.213 -1.042 0.760 95 HD13 ILE 14 2HD1 ILE 14 -0.771 -1.084 -0.261 96 H HIS 15 H HIS 15 -5.409 2.310 -2.724 97 HA HIS 15 HA HIS 15 -3.644 4.311 -3.964 98 HB2 HIS 15 2HB HIS 15 -6.656 4.119 -4.012 99 HB3 HIS 15 1HB HIS 15 -5.761 5.525 -4.570 100 HD1 HIS 15 1HD HIS 15 -6.889 2.183 -5.584 101 HD2 HIS 15 2HD HIS 15 -4.180 5.037 -6.930 102 HE1 HIS 15 1HE HIS 15 -6.340 1.528 -7.946 103 HE2 HIS 15 2HE HIS 15 -4.877 3.392 -8.804 104 H PHE 16 H PHE 16 -3.018 5.932 -2.774 105 HA PHE 16 HA PHE 16 -4.690 6.766 -0.499 106 HB2 PHE 16 2HB PHE 16 -1.669 6.767 -0.663 107 HB3 PHE 16 1HB PHE 16 -2.604 7.514 0.619 108 HD1 PHE 16 2HD PHE 16 -4.628 5.494 1.203 109 HD2 PHE 16 1HD PHE 16 -0.495 5.070 0.306 110 HE1 PHE 16 2HE PHE 16 -4.569 3.395 2.480 111 HE2 PHE 16 1HE PHE 16 -0.427 2.971 1.582 112 HZ PHE 16 HZ PHE 16 -2.462 2.137 2.669 113 HA PRO 17 HA PRO 17 -4.631 10.575 -2.904 114 HB2 PRO 17 2HB PRO 17 -5.761 11.684 -0.418 115 HB3 PRO 17 1HB PRO 17 -6.405 11.736 -2.059 116 HG2 PRO 17 2HG PRO 17 -7.494 10.172 -0.176 117 HG3 PRO 17 1HG PRO 17 -7.411 9.668 -1.872 118 HD2 PRO 17 2HD PRO 17 -5.723 8.822 0.445 119 HD3 PRO 17 1HD PRO 17 -6.327 7.863 -0.925 120 H LEU 18 H LEU 18 -3.043 11.930 -3.061 121 HA LEU 18 HA LEU 18 -0.731 11.849 -1.581 122 HB2 LEU 18 2HB LEU 18 -1.196 12.773 -3.917 123 HB3 LEU 18 1HB LEU 18 -1.678 14.257 -3.131 124 HG LEU 18 HG LEU 18 0.635 14.256 -4.089 125 HD11 LEU 18 1HD1 LEU 18 0.014 15.857 -2.372 126 HD12 LEU 18 2HD1 LEU 18 1.695 15.355 -2.196 127 HD13 LEU 18 3HD1 LEU 18 0.462 14.701 -1.118 128 HD21 LEU 18 3HD2 LEU 18 1.236 11.965 -3.551 129 HD22 LEU 18 1HD2 LEU 18 1.200 12.351 -1.831 130 HD23 LEU 18 2HD2 LEU 18 2.400 13.107 -2.879 131 H LYS 19 H LYS 19 -3.480 14.002 -1.227 132 HA LYS 19 HA LYS 19 -2.206 15.749 0.632 133 HB2 LYS 19 2HB LYS 19 -5.094 15.377 -0.149 134 HB3 LYS 19 1HB LYS 19 -4.536 16.623 0.956 135 HG2 LYS 19 2HG LYS 19 -3.177 17.606 -0.796 136 HG3 LYS 19 1HG LYS 19 -3.656 16.322 -1.909 137 HD2 LYS 19 2HD LYS 19 -5.953 17.051 -1.832 138 HD3 LYS 19 1HD LYS 19 -5.573 18.246 -0.596 139 HE2 LYS 19 2HE LYS 19 -5.753 19.360 -2.669 140 HE3 LYS 19 1HE LYS 19 -4.056 19.353 -2.205 141 HZ1 LYS 19 3HZ LYS 19 -3.795 17.385 -3.708 142 HZ2 LYS 19 1HZ LYS 19 -4.192 18.834 -4.498 143 HZ3 LYS 19 2HZ LYS 19 -5.384 17.663 -4.245 144 H ARG 20 H ARG 20 -4.058 12.801 0.946 145 HA ARG 20 HA ARG 20 -4.644 13.356 3.748 146 HB2 ARG 20 2HB ARG 20 -5.290 10.829 2.239 147 HB3 ARG 20 1HB ARG 20 -5.999 11.397 3.741 148 HG2 ARG 20 2HG ARG 20 -6.374 12.583 1.017 149 HG3 ARG 20 1HG ARG 20 -7.554 11.697 1.980 150 HD2 ARG 20 2HD ARG 20 -6.332 14.367 2.647 151 HD3 ARG 20 1HD ARG 20 -7.967 14.071 2.072 152 HE ARG 20 HE ARG 20 -8.120 12.669 4.233 153 HH11 ARG 20 1HH1 ARG 20 -6.430 15.706 3.817 154 HH12 ARG 20 2HH1 ARG 20 -6.588 16.178 5.479 155 HH21 ARG 20 1HH2 ARG 20 -8.353 13.303 6.440 156 HH22 ARG 20 2HH2 ARG 20 -7.685 14.815 6.967 157 H ILE 21 H ILE 21 -2.645 11.183 1.805 158 HA ILE 21 HA ILE 21 -1.825 9.613 4.051 159 HB ILE 21 HB ILE 21 -1.769 8.801 1.701 160 HG12 ILE 21 2HG1 ILE 21 0.297 7.511 1.930 161 HG13 ILE 21 1HG1 ILE 21 0.905 8.666 3.113 162 HG21 ILE 21 1HG2 ILE 21 0.190 9.375 0.298 163 HG22 ILE 21 2HG2 ILE 21 0.620 10.621 1.469 164 HG23 ILE 21 3HG2 ILE 21 -0.893 10.740 0.574 165 HD11 ILE 21 3HD1 ILE 21 -1.505 6.897 3.459 166 HD12 ILE 21 1HD1 ILE 21 -0.863 8.021 4.655 167 HD13 ILE 21 2HD1 ILE 21 0.090 6.623 4.160 168 H ALA 22 H ALA 22 -0.977 12.659 2.793 169 HA ALA 22 HA ALA 22 1.499 12.773 4.353 170 HB1 ALA 22 1HB ALA 22 1.595 13.576 2.025 171 HB2 ALA 22 2HB ALA 22 1.961 14.849 3.189 172 HB3 ALA 22 3HB ALA 22 0.378 14.790 2.414 173 H ALA 23 H ALA 23 -1.392 12.807 5.295 174 HA ALA 23 HA ALA 23 -1.359 15.397 6.692 175 HB1 ALA 23 1HB ALA 23 -3.763 15.097 7.019 176 HB2 ALA 23 2HB ALA 23 -3.689 13.550 6.176 177 HB3 ALA 23 3HB ALA 23 -3.341 15.046 5.308 178 H GLU 24 H GLU 24 -2.451 15.258 8.896 179 HA GLU 24 HA GLU 24 -1.060 13.222 10.421 180 HB2 GLU 24 2HB GLU 24 -1.099 15.672 11.027 181 HB3 GLU 24 1HB GLU 24 -2.800 15.486 11.415 182 HG2 GLU 24 2HG GLU 24 -0.672 13.848 12.750 183 HG3 GLU 24 1HG GLU 24 -1.139 15.442 13.334 184 H GLY 25 H GLY 25 -4.335 14.176 9.627 185 HA2 GLY 25 2HA GLY 25 -5.446 12.111 11.384 186 HA3 GLY 25 1HA GLY 25 -6.354 13.392 10.593 187 H TYR 26 H TYR 26 -4.059 11.080 9.227 188 HA TYR 26 HA TYR 26 -5.770 10.620 6.988 189 HB2 TYR 26 2HB TYR 26 -4.014 9.073 6.229 190 HB3 TYR 26 1HB TYR 26 -3.356 10.632 6.714 191 HD1 TYR 26 1HD TYR 26 -2.286 10.818 9.027 192 HD2 TYR 26 2HD TYR 26 -3.201 7.087 7.207 193 HE1 TYR 26 1HE TYR 26 -0.702 9.699 10.536 194 HE2 TYR 26 2HE TYR 26 -1.621 5.959 8.712 195 HH TYR 26 HH TYR 26 -0.308 7.424 11.455 196 H ALA 27 H ALA 27 -5.222 9.011 10.017 197 HA ALA 27 HA ALA 27 -6.311 6.482 9.213 198 HB1 ALA 27 1HB ALA 27 -4.728 6.694 11.087 199 HB2 ALA 27 2HB ALA 27 -6.227 5.897 11.562 200 HB3 ALA 27 3HB ALA 27 -5.951 7.582 11.997 201 H GLU 28 H GLU 28 -7.684 9.438 9.645 202 HA GLU 28 HA GLU 28 -10.305 8.291 10.352 203 HB2 GLU 28 2HB GLU 28 -9.362 10.057 11.886 204 HB3 GLU 28 1HB GLU 28 -9.430 11.185 10.543 205 HG2 GLU 28 2HG GLU 28 -11.319 11.496 12.009 206 HG3 GLU 28 1HG GLU 28 -11.858 10.905 10.437 207 H ASP 29 H ASP 29 -8.535 8.927 7.782 208 HA ASP 29 HA ASP 29 -10.353 10.648 6.313 209 HB2 ASP 29 2HB ASP 29 -8.043 11.079 5.921 210 HB3 ASP 29 1HB ASP 29 -7.707 9.378 5.590 211 H GLU 30 H GLU 30 -11.959 9.962 5.169 212 HA GLU 30 HA GLU 30 -12.833 7.327 5.118 213 HB2 GLU 30 2HB GLU 30 -14.127 9.530 4.779 214 HB3 GLU 30 1HB GLU 30 -13.647 9.410 3.096 215 HG2 GLU 30 2HG GLU 30 -15.134 7.210 4.490 216 HG3 GLU 30 1HG GLU 30 -15.955 8.568 3.730 217 H LEU 31 H LEU 31 -10.954 9.149 2.782 218 HA LEU 31 HA LEU 31 -11.176 7.404 0.596 219 HB2 LEU 31 2HB LEU 31 -9.429 9.623 1.458 220 HB3 LEU 31 1HB LEU 31 -8.749 8.538 0.266 221 HG LEU 31 HG LEU 31 -9.790 10.528 -0.749 222 HD11 LEU 31 1HD1 LEU 31 -9.698 8.444 -2.000 223 HD12 LEU 31 2HD1 LEU 31 -11.137 9.376 -2.404 224 HD13 LEU 31 3HD1 LEU 31 -11.266 7.975 -1.342 225 HD21 LEU 31 3HD2 LEU 31 -12.201 10.834 -0.689 226 HD22 LEU 31 1HD2 LEU 31 -11.532 10.895 0.940 227 HD23 LEU 31 2HD2 LEU 31 -12.367 9.446 0.384 228 H LEU 32 H LEU 32 -8.829 7.731 3.187 229 HA LEU 32 HA LEU 32 -7.062 5.732 2.258 230 HB2 LEU 32 2HB LEU 32 -6.964 7.759 4.008 231 HB3 LEU 32 1HB LEU 32 -7.246 6.441 5.128 232 HG LEU 32 HG LEU 32 -5.225 5.434 3.636 233 HD11 LEU 32 1HD1 LEU 32 -3.556 7.194 3.350 234 HD12 LEU 32 2HD1 LEU 32 -4.741 8.398 3.854 235 HD13 LEU 32 3HD1 LEU 32 -4.985 7.492 2.361 236 HD21 LEU 32 3HD2 LEU 32 -5.339 5.421 6.058 237 HD22 LEU 32 1HD2 LEU 32 -4.995 7.150 6.098 238 HD23 LEU 32 2HD2 LEU 32 -3.770 6.020 5.520 239 H LEU 33 H LEU 33 -9.795 5.870 4.403 240 HA LEU 33 HA LEU 33 -9.499 3.328 5.587 241 HB2 LEU 33 2HB LEU 33 -11.439 5.490 5.560 242 HB3 LEU 33 1HB LEU 33 -12.136 3.909 5.820 243 HG LEU 33 HG LEU 33 -11.608 5.101 7.919 244 HD11 LEU 33 1HD1 LEU 33 -9.983 2.615 7.444 245 HD12 LEU 33 2HD1 LEU 33 -11.682 2.679 7.917 246 HD13 LEU 33 3HD1 LEU 33 -10.436 3.261 9.020 247 HD21 LEU 33 3HD2 LEU 33 -8.741 4.801 7.043 248 HD22 LEU 33 1HD2 LEU 33 -9.295 5.404 8.604 249 HD23 LEU 33 2HD2 LEU 33 -9.632 6.320 7.136 250 H ASN 34 H ASN 34 -11.573 4.482 2.901 251 HA ASN 34 HA ASN 34 -12.761 1.889 2.616 252 HB2 ASN 34 2HB ASN 34 -14.057 2.743 0.863 253 HB3 ASN 34 1HB ASN 34 -13.831 4.122 1.929 254 HD21 ASN 34 1HD2 ASN 34 -12.725 5.888 1.203 255 HD22 ASN 34 2HD2 ASN 34 -12.184 6.060 -0.435 256 H GLN 35 H GLN 35 -10.082 3.571 1.093 257 HA GLN 35 HA GLN 35 -9.840 1.719 -1.069 258 HB2 GLN 35 2HB GLN 35 -8.377 4.052 -0.063 259 HB3 GLN 35 1HB GLN 35 -7.352 2.847 -0.826 260 HG2 GLN 35 2HG GLN 35 -8.008 3.451 -2.847 261 HG3 GLN 35 1HG GLN 35 -9.699 3.309 -2.410 262 HE21 GLN 35 1HE2 GLN 35 -7.496 5.569 -0.846 263 HE22 GLN 35 2HE2 GLN 35 -8.203 6.988 -1.516 264 H MET 36 H MET 36 -8.148 2.115 2.030 265 HA MET 36 HA MET 36 -6.716 -0.371 1.515 266 HB2 MET 36 2HB MET 36 -5.549 1.664 2.449 267 HB3 MET 36 1HB MET 36 -6.441 1.396 3.942 268 HG2 MET 36 2HG MET 36 -4.148 0.451 3.953 269 HG3 MET 36 1HG MET 36 -5.416 -0.741 4.252 270 HE1 MET 36 3HE MET 36 -2.962 -2.228 3.653 271 HE2 MET 36 1HE MET 36 -3.377 -3.221 2.258 272 HE3 MET 36 2HE MET 36 -4.555 -2.974 3.546 273 H GLY 37 H GLY 37 -9.649 0.448 2.720 274 HA2 GLY 37 2HA GLY 37 -9.751 -1.830 4.546 275 HA3 GLY 37 1HA GLY 37 -11.081 -0.741 4.158 276 H LYS 38 H LYS 38 -10.486 -0.922 1.294 277 HA LYS 38 HA LYS 38 -12.088 -3.192 0.658 278 HB2 LYS 38 2HB LYS 38 -12.111 -1.016 -0.589 279 HB3 LYS 38 1HB LYS 38 -10.511 -1.419 -1.200 280 HG2 LYS 38 2HG LYS 38 -12.234 -1.918 -2.846 281 HG3 LYS 38 1HG LYS 38 -11.425 -3.393 -2.312 282 HD2 LYS 38 2HD LYS 38 -13.277 -3.898 -0.821 283 HD3 LYS 38 1HD LYS 38 -14.074 -2.390 -1.268 284 HE2 LYS 38 2HE LYS 38 -14.239 -3.183 -3.585 285 HE3 LYS 38 1HE LYS 38 -13.463 -4.696 -3.114 286 HZ1 LYS 38 3HZ LYS 38 -16.060 -3.686 -2.089 287 HZ2 LYS 38 1HZ LYS 38 -15.316 -5.129 -1.621 288 HZ3 LYS 38 2HZ LYS 38 -15.858 -4.936 -3.208 289 H VAL 39 H VAL 39 -8.747 -2.264 -0.267 290 HA VAL 39 HA VAL 39 -8.244 -5.022 -1.074 291 HB VAL 39 HB VAL 39 -5.986 -4.184 -1.736 292 HG11 VAL 39 1HG1 VAL 39 -7.778 -4.265 -3.361 293 HG12 VAL 39 2HG1 VAL 39 -6.790 -2.831 -3.633 294 HG13 VAL 39 3HG1 VAL 39 -8.358 -2.684 -2.839 295 HG21 VAL 39 3HG2 VAL 39 -5.604 -1.760 -1.807 296 HG22 VAL 39 1HG2 VAL 39 -5.761 -2.346 -0.152 297 HG23 VAL 39 2HG2 VAL 39 -7.105 -1.500 -0.919 298 H ASN 40 H ASN 40 -8.778 -5.319 1.410 299 HA ASN 40 HA ASN 40 -6.240 -5.276 2.898 300 HB2 ASN 40 2HB ASN 40 -7.718 -3.311 3.441 301 HB3 ASN 40 1HB ASN 40 -8.894 -4.464 4.066 302 HD21 ASN 40 1HD2 ASN 40 -5.415 -4.756 4.340 303 HD22 ASN 40 2HD2 ASN 40 -5.354 -4.626 6.061 304 H ASP 41 H ASP 41 -9.408 -6.700 2.466 305 HA ASP 41 HA ASP 41 -9.301 -8.268 4.848 306 HB2 ASP 41 2HB ASP 41 -11.440 -7.557 3.928 307 HB3 ASP 41 1HB ASP 41 -11.126 -8.441 2.439 308 H THR 42 H THR 42 -8.583 -8.835 1.468 309 HA THR 42 HA THR 42 -7.417 -11.423 2.224 310 HB THR 42 HB THR 42 -7.972 -12.030 -0.265 311 HG1 THR 42 1HG THR 42 -10.346 -10.721 -0.049 312 HG21 THR 42 3HG2 THR 42 -10.104 -13.018 0.451 313 HG22 THR 42 1HG2 THR 42 -10.088 -11.997 1.889 314 HG23 THR 42 2HG2 THR 42 -8.848 -13.232 1.670 315 HA PRO 43 HA PRO 43 -4.327 -8.838 -0.024 316 HB2 PRO 43 2HB PRO 43 -2.659 -8.255 2.004 317 HB3 PRO 43 1HB PRO 43 -4.142 -7.340 1.716 318 HG2 PRO 43 2HG PRO 43 -3.514 -9.268 3.853 319 HG3 PRO 43 1HG PRO 43 -4.725 -7.979 3.817 320 HD2 PRO 43 2HD PRO 43 -5.102 -10.792 3.344 321 HD3 PRO 43 1HD PRO 43 -6.322 -9.504 3.347 322 H GLU 44 H GLU 44 -4.418 -11.805 1.316 323 HA GLU 44 HA GLU 44 -3.218 -13.705 1.072 324 HB2 GLU 44 2HB GLU 44 -2.614 -12.838 -1.172 325 HB3 GLU 44 1HB GLU 44 -1.206 -12.056 -0.466 326 HG2 GLU 44 2HG GLU 44 -0.535 -14.102 -1.517 327 HG3 GLU 44 1HG GLU 44 -0.365 -14.267 0.229 328 H GLU 45 H GLU 45 -1.225 -10.898 1.856 329 HA GLU 45 HA GLU 45 0.704 -12.304 3.368 330 HB2 GLU 45 2HB GLU 45 1.157 -10.100 2.467 331 HB3 GLU 45 1HB GLU 45 -0.139 -9.402 3.422 332 HG2 GLU 45 2HG GLU 45 2.019 -8.885 4.375 333 HG3 GLU 45 1HG GLU 45 1.087 -9.909 5.464 334 H GLU 46 H GLU 46 -1.448 -9.875 4.828 335 HA GLU 46 HA GLU 46 -2.266 -11.829 6.838 336 HB2 GLU 46 2HB GLU 46 -0.917 -9.198 7.451 337 HB3 GLU 46 1HB GLU 46 -1.831 -10.113 8.642 338 HG2 GLU 46 2HG GLU 46 -0.304 -11.977 8.430 339 HG3 GLU 46 1HG GLU 46 0.577 -11.137 7.155 340 H GLY 47 H GLY 47 -2.642 -8.348 7.136 341 HA2 GLY 47 2HA GLY 47 -4.919 -7.805 5.763 342 HA3 GLY 47 1HA GLY 47 -5.506 -8.634 7.192 343 H MET 48 H MET 48 -5.368 -7.608 9.208 344 HA MET 48 HA MET 48 -5.601 -4.827 9.123 345 HB2 MET 48 2HB MET 48 -6.865 -6.076 10.707 346 HB3 MET 48 1HB MET 48 -5.414 -6.750 11.426 347 HG2 MET 48 2HG MET 48 -5.873 -3.803 11.444 348 HG3 MET 48 1HG MET 48 -6.667 -4.844 12.625 349 HE1 MET 48 3HE MET 48 -4.464 -2.386 12.968 350 HE2 MET 48 1HE MET 48 -3.624 -2.981 14.398 351 HE3 MET 48 2HE MET 48 -5.380 -3.095 14.297 352 HA PRO 49 HA PRO 49 -1.186 -4.661 11.125 353 HB2 PRO 49 2HB PRO 49 -0.032 -7.166 10.041 354 HB3 PRO 49 1HB PRO 49 0.160 -6.444 11.645 355 HG2 PRO 49 2HG PRO 49 -1.331 -8.619 11.331 356 HG3 PRO 49 1HG PRO 49 -1.845 -7.318 12.422 357 HD2 PRO 49 2HD PRO 49 -2.755 -7.899 9.620 358 HD3 PRO 49 1HD PRO 49 -3.723 -7.530 11.057 359 H LEU 50 H LEU 50 -1.931 -6.303 8.149 360 HA LEU 50 HA LEU 50 0.196 -5.490 6.533 361 HB2 LEU 50 2HB LEU 50 -1.582 -7.223 6.066 362 HB3 LEU 50 1HB LEU 50 -2.676 -5.915 5.681 363 HG LEU 50 HG LEU 50 -1.755 -7.032 3.696 364 HD11 LEU 50 1HD1 LEU 50 -1.053 -5.034 2.471 365 HD12 LEU 50 2HD1 LEU 50 -0.867 -4.175 4.000 366 HD13 LEU 50 3HD1 LEU 50 -2.463 -4.728 3.486 367 HD21 LEU 50 3HD2 LEU 50 0.521 -6.913 3.083 368 HD22 LEU 50 1HD2 LEU 50 0.467 -7.528 4.734 369 HD23 LEU 50 2HD2 LEU 50 0.896 -5.844 4.431 370 H ARG 51 H ARG 51 -2.990 -3.968 7.080 371 HA ARG 51 HA ARG 51 -2.420 -1.729 5.449 372 HB2 ARG 51 2HB ARG 51 -4.404 -0.688 6.448 373 HB3 ARG 51 1HB ARG 51 -4.719 -2.330 5.914 374 HG2 ARG 51 2HG ARG 51 -4.365 -3.051 8.296 375 HG3 ARG 51 1HG ARG 51 -4.351 -1.341 8.723 376 HD2 ARG 51 2HD ARG 51 -6.608 -2.684 7.259 377 HD3 ARG 51 1HD ARG 51 -6.549 -2.505 9.009 378 HE ARG 51 HE ARG 51 -6.242 0.024 8.203 379 HH11 ARG 51 1HH1 ARG 51 -8.490 -2.451 7.173 380 HH12 ARG 51 2HH1 ARG 51 -9.787 -1.333 6.894 381 HH21 ARG 51 1HH2 ARG 51 -7.953 1.497 7.832 382 HH22 ARG 51 2HH2 ARG 51 -9.482 0.903 7.257 383 H ALA 52 H ALA 52 -2.115 -2.304 8.933 384 HA ALA 52 HA ALA 52 -1.502 0.308 9.684 385 HB1 ALA 52 1HB ALA 52 -0.469 -2.252 10.900 386 HB2 ALA 52 2HB ALA 52 -2.001 -1.468 11.289 387 HB3 ALA 52 3HB ALA 52 -0.479 -0.665 11.672 388 H TRP 53 H TRP 53 0.749 -2.336 8.745 389 HA TRP 53 HA TRP 53 2.998 -0.594 8.995 390 HB2 TRP 53 2HB TRP 53 4.365 -2.397 8.427 391 HB3 TRP 53 1HB TRP 53 2.997 -3.148 9.225 392 HD1 TRP 53 HD TRP 53 1.722 -4.976 7.954 393 HE1 TRP 53 1HE TRP 53 1.941 -6.036 5.627 394 HE3 TRP 53 3HE TRP 53 5.088 -1.733 5.894 395 HZ2 TRP 53 2HZ TRP 53 3.331 -5.551 3.226 396 HZ3 TRP 53 3HZ TRP 53 5.822 -2.111 3.581 397 HH2 TRP 53 HH TRP 53 4.961 -3.986 2.275 398 H VAL 54 H VAL 54 0.945 -1.608 6.327 399 HA VAL 54 HA VAL 54 2.680 -0.652 4.294 400 HB VAL 54 HB VAL 54 0.611 -2.322 4.224 401 HG11 VAL 54 1HG1 VAL 54 -1.287 -1.362 3.043 402 HG12 VAL 54 2HG1 VAL 54 -0.577 0.245 3.188 403 HG13 VAL 54 3HG1 VAL 54 -1.087 -0.625 4.632 404 HG21 VAL 54 3HG2 VAL 54 1.506 -0.597 1.921 405 HG22 VAL 54 1HG2 VAL 54 0.653 -2.133 1.778 406 HG23 VAL 54 2HG2 VAL 54 2.268 -2.086 2.482 407 H ILE 55 H ILE 55 -0.176 0.745 5.903 408 HA ILE 55 HA ILE 55 -0.133 3.176 4.458 409 HB ILE 55 HB ILE 55 -1.251 2.509 7.180 410 HG12 ILE 55 2HG1 ILE 55 -2.619 2.961 4.524 411 HG13 ILE 55 1HG1 ILE 55 -2.235 1.377 5.196 412 HG21 ILE 55 1HG2 ILE 55 -1.657 5.023 5.569 413 HG22 ILE 55 2HG2 ILE 55 -0.760 4.887 7.084 414 HG23 ILE 55 3HG2 ILE 55 -2.499 4.591 7.060 415 HD11 ILE 55 3HD1 ILE 55 -4.087 3.417 6.409 416 HD12 ILE 55 1HD1 ILE 55 -3.715 1.828 7.081 417 HD13 ILE 55 2HD1 ILE 55 -4.566 1.958 5.540 418 H LYS 56 H LYS 56 1.400 2.155 7.503 419 HA LYS 56 HA LYS 56 2.594 4.634 8.099 420 HB2 LYS 56 2HB LYS 56 3.228 1.804 8.833 421 HB3 LYS 56 1HB LYS 56 4.378 3.073 9.220 422 HG2 LYS 56 2HG LYS 56 1.501 2.984 10.111 423 HG3 LYS 56 1HG LYS 56 2.900 2.565 11.099 424 HD2 LYS 56 2HD LYS 56 2.272 5.274 9.924 425 HD3 LYS 56 1HD LYS 56 2.163 4.815 11.620 426 HE2 LYS 56 2HE LYS 56 4.680 4.925 9.957 427 HE3 LYS 56 1HE LYS 56 4.198 6.085 11.191 428 HZ1 LYS 56 3HZ LYS 56 4.834 3.221 11.647 429 HZ2 LYS 56 1HZ LYS 56 4.335 4.311 12.841 430 HZ3 LYS 56 2HZ LYS 56 5.812 4.535 12.053 431 H CYS 57 H CYS 57 3.872 1.834 6.308 432 HA CYS 57 HA CYS 57 6.371 2.931 5.699 433 HB2 CYS 57 2HB CYS 57 5.794 0.549 5.390 434 HB3 CYS 57 1HB CYS 57 4.746 0.985 4.046 435 HG CYS 57 HG CYS 57 7.429 2.328 3.120 436 H ALA 58 H ALA 58 3.308 3.059 3.905 437 HA ALA 58 HA ALA 58 4.261 4.541 1.708 438 HB1 ALA 58 1HB ALA 58 1.915 5.085 1.290 439 HB2 ALA 58 2HB ALA 58 1.488 4.497 2.897 440 HB3 ALA 58 3HB ALA 58 2.112 3.379 1.685 441 H HIS 59 H HIS 59 2.912 5.516 4.824 442 HA HIS 59 HA HIS 59 2.818 8.285 4.334 443 HB2 HIS 59 2HB HIS 59 1.740 6.976 6.257 444 HB3 HIS 59 1HB HIS 59 3.316 7.030 7.039 445 HD1 HIS 59 1HD HIS 59 1.192 8.361 8.605 446 HD2 HIS 59 2HD HIS 59 3.238 10.344 5.597 447 HE1 HIS 59 1HE HIS 59 0.873 10.817 9.078 448 HE2 HIS 59 2HE HIS 59 2.359 11.976 7.392 449 H GLU 60 H GLU 60 5.320 6.227 5.774 450 HA GLU 60 HA GLU 60 7.158 8.251 6.411 451 HB2 GLU 60 2HB GLU 60 7.670 5.365 5.672 452 HB3 GLU 60 1HB GLU 60 8.839 6.437 6.429 453 HG2 GLU 60 2HG GLU 60 6.225 5.545 7.620 454 HG3 GLU 60 1HG GLU 60 7.825 4.940 8.046 455 H ALA 61 H ALA 61 6.856 6.222 3.513 456 HA ALA 61 HA ALA 61 9.127 7.268 2.194 457 HB1 ALA 61 1HB ALA 61 8.135 5.117 1.598 458 HB2 ALA 61 2HB ALA 61 8.225 6.184 0.196 459 HB3 ALA 61 3HB ALA 61 6.686 5.939 1.020 460 H LEU 62 H LEU 62 5.691 8.080 2.055 461 HA LEU 62 HA LEU 62 5.892 9.863 -0.115 462 HB2 LEU 62 2HB LEU 62 3.836 8.724 0.705 463 HB3 LEU 62 1HB LEU 62 3.802 9.834 2.059 464 HG LEU 62 HG LEU 62 2.206 10.356 0.209 465 HD11 LEU 62 1HD1 LEU 62 4.271 12.486 0.718 466 HD12 LEU 62 2HD1 LEU 62 2.911 12.096 1.770 467 HD13 LEU 62 3HD1 LEU 62 2.618 12.741 0.156 468 HD21 LEU 62 3HD2 LEU 62 4.706 11.025 -1.323 469 HD22 LEU 62 1HD2 LEU 62 3.052 11.344 -1.836 470 HD23 LEU 62 2HD2 LEU 62 3.611 9.684 -1.653 471 H GLU 63 H GLU 63 5.871 10.475 3.417 472 HA GLU 63 HA GLU 63 6.046 13.303 3.036 473 HB2 GLU 63 2HB GLU 63 6.297 11.503 5.407 474 HB3 GLU 63 1HB GLU 63 6.854 13.166 5.533 475 HG2 GLU 63 2HG GLU 63 4.554 13.836 4.682 476 HG3 GLU 63 1HG GLU 63 4.078 12.167 4.995 477 H LYS 64 H LYS 64 8.395 10.754 3.182 478 HA LYS 64 HA LYS 64 10.626 12.401 3.878 479 HB2 LYS 64 2HB LYS 64 10.606 9.956 4.227 480 HB3 LYS 64 1HB LYS 64 10.573 9.715 2.487 481 HG2 LYS 64 2HG LYS 64 12.766 10.608 2.244 482 HG3 LYS 64 1HG LYS 64 12.794 11.153 3.920 483 HD2 LYS 64 2HD LYS 64 12.427 8.253 3.256 484 HD3 LYS 64 1HD LYS 64 14.036 8.971 3.283 485 HE2 LYS 64 2HE LYS 64 13.513 7.919 5.420 486 HE3 LYS 64 1HE LYS 64 13.702 9.658 5.604 487 HZ1 LYS 64 3HZ LYS 64 11.796 8.670 6.829 488 HZ2 LYS 64 1HZ LYS 64 11.065 8.317 5.345 489 HZ3 LYS 64 2HZ LYS 64 11.364 9.926 5.788 490 H ASN 65 H ASN 65 9.196 11.274 0.891 491 HA ASN 65 HA ASN 65 10.625 13.375 -0.538 492 HB2 ASN 65 2HB ASN 65 10.774 11.753 -2.524 493 HB3 ASN 65 1HB ASN 65 11.922 11.524 -1.213 494 HD21 ASN 65 1HD2 ASN 65 9.012 10.311 -2.700 495 HD22 ASN 65 2HD2 ASN 65 9.116 8.704 -2.081 496 HA PRO 66 HA PRO 66 6.035 13.318 -0.913 497 HB2 PRO 66 2HB PRO 66 5.591 15.916 -0.457 498 HB3 PRO 66 1HB PRO 66 6.011 14.812 0.855 499 HG2 PRO 66 2HG PRO 66 7.793 16.691 -0.663 500 HG3 PRO 66 1HG PRO 66 7.664 16.453 1.091 501 HD2 PRO 66 2HD PRO 66 9.599 15.271 -0.403 502 HD3 PRO 66 1HD PRO 66 8.919 14.522 1.045 503 H LYS 67 H LYS 67 8.032 13.611 -3.135 504 HA LYS 67 HA LYS 67 6.308 15.168 -4.939 505 HB2 LYS 67 2HB LYS 67 9.320 14.937 -5.057 506 HB3 LYS 67 1HB LYS 67 8.312 15.765 -6.237 507 HG2 LYS 67 2HG LYS 67 7.610 17.366 -4.583 508 HG3 LYS 67 1HG LYS 67 8.493 16.500 -3.327 509 HD2 LYS 67 2HD LYS 67 10.595 16.961 -4.522 510 HD3 LYS 67 1HD LYS 67 9.687 17.877 -5.728 511 HE2 LYS 67 2HE LYS 67 9.789 18.496 -2.778 512 HE3 LYS 67 1HE LYS 67 10.719 19.329 -4.028 513 HZ1 LYS 67 3HZ LYS 67 8.724 20.558 -3.438 514 HZ2 LYS 67 1HZ LYS 67 7.753 19.238 -3.856 515 HZ3 LYS 67 2HZ LYS 67 8.644 20.042 -5.046 516 H ILE 68 H ILE 68 6.447 12.301 -4.167 517 HA ILE 68 HA ILE 68 7.077 11.111 -6.763 518 HB ILE 68 HB ILE 68 6.601 8.925 -5.654 519 HG12 ILE 68 2HG1 ILE 68 6.701 10.484 -3.049 520 HG13 ILE 68 1HG1 ILE 68 5.210 9.908 -3.789 521 HG21 ILE 68 1HG2 ILE 68 8.809 10.670 -4.612 522 HG22 ILE 68 2HG2 ILE 68 8.845 9.575 -5.993 523 HG23 ILE 68 3HG2 ILE 68 8.737 8.926 -4.356 524 HD11 ILE 68 3HD1 ILE 68 5.997 7.614 -3.595 525 HD12 ILE 68 1HD1 ILE 68 5.973 8.422 -2.029 526 HD13 ILE 68 2HD1 ILE 68 7.501 8.187 -2.877 527 H ARG 69 H ARG 69 5.477 9.148 -7.106 528 HA ARG 69 HA ARG 69 2.777 10.353 -7.206 529 HB2 ARG 69 2HB ARG 69 3.873 8.424 -9.243 530 HB3 ARG 69 1HB ARG 69 2.435 9.423 -9.365 531 HG2 ARG 69 2HG ARG 69 3.793 11.412 -9.567 532 HG3 ARG 69 1HG ARG 69 5.261 10.454 -9.343 533 HD2 ARG 69 2HD ARG 69 3.313 10.350 -11.637 534 HD3 ARG 69 1HD ARG 69 5.014 10.809 -11.684 535 HE ARG 69 HE ARG 69 4.291 8.075 -10.886 536 HH11 ARG 69 1HH1 ARG 69 5.766 10.245 -13.220 537 HH12 ARG 69 2HH1 ARG 69 6.549 8.968 -14.088 538 HH21 ARG 69 1HH2 ARG 69 5.304 6.407 -12.042 539 HH22 ARG 69 2HH2 ARG 69 6.279 6.780 -13.427 540 H GLU 70 H GLU 70 4.715 7.449 -6.952 541 HA GLU 70 HA GLU 70 2.787 6.154 -5.309 542 HB2 GLU 70 2HB GLU 70 2.263 4.282 -6.726 543 HB3 GLU 70 1HB GLU 70 1.821 5.761 -7.568 544 HG2 GLU 70 2HG GLU 70 4.345 4.178 -8.056 545 HG3 GLU 70 1HG GLU 70 2.873 4.039 -9.009 546 H VAL 71 H VAL 71 3.569 3.887 -4.764 547 HA VAL 71 HA VAL 71 6.468 3.617 -5.095 548 HB VAL 71 HB VAL 71 6.017 4.705 -2.908 549 HG11 VAL 71 1HG1 VAL 71 3.871 3.811 -2.366 550 HG12 VAL 71 2HG1 VAL 71 5.011 3.375 -1.093 551 HG13 VAL 71 3HG1 VAL 71 4.525 2.175 -2.291 552 HG21 VAL 71 3HG2 VAL 71 8.010 3.351 -3.173 553 HG22 VAL 71 1HG2 VAL 71 7.109 1.905 -2.717 554 HG23 VAL 71 2HG2 VAL 71 7.371 3.189 -1.538 555 H TYR 72 H TYR 72 7.212 1.454 -4.979 556 HA TYR 72 HA TYR 72 5.046 -0.522 -5.234 557 HB2 TYR 72 2HB TYR 72 7.855 -0.813 -6.329 558 HB3 TYR 72 1HB TYR 72 6.435 -1.770 -6.741 559 HD1 TYR 72 1HD TYR 72 4.409 -0.260 -7.690 560 HD2 TYR 72 2HD TYR 72 8.538 0.757 -7.873 561 HE1 TYR 72 1HE TYR 72 3.950 1.246 -9.576 562 HE2 TYR 72 2HE TYR 72 8.086 2.267 -9.761 563 HH TYR 72 HH TYR 72 6.337 2.496 -11.569 564 H LEU 73 H LEU 73 4.870 -1.936 -3.732 565 HA LEU 73 HA LEU 73 7.060 -2.164 -1.792 566 HB2 LEU 73 2HB LEU 73 5.476 -0.405 -1.177 567 HB3 LEU 73 1HB LEU 73 4.155 -1.544 -1.296 568 HG LEU 73 HG LEU 73 5.015 -2.780 0.583 569 HD11 LEU 73 1HD1 LEU 73 7.170 -0.673 0.686 570 HD12 LEU 73 2HD1 LEU 73 7.399 -2.376 0.291 571 HD13 LEU 73 3HD1 LEU 73 6.890 -1.909 1.911 572 HD21 LEU 73 3HD2 LEU 73 4.541 -1.122 2.298 573 HD22 LEU 73 1HD2 LEU 73 3.453 -0.921 0.926 574 HD23 LEU 73 2HD2 LEU 73 4.819 0.174 1.137 575 H LYS 74 H LYS 74 7.400 -4.184 -1.035 576 HA LYS 74 HA LYS 74 5.369 -6.224 -1.623 577 HB2 LYS 74 2HB LYS 74 7.481 -6.741 -2.735 578 HB3 LYS 74 1HB LYS 74 8.343 -6.606 -1.199 579 HG2 LYS 74 2HG LYS 74 6.834 -8.418 -0.325 580 HG3 LYS 74 1HG LYS 74 6.280 -8.646 -1.978 581 HD2 LYS 74 2HD LYS 74 8.408 -9.389 -2.681 582 HD3 LYS 74 1HD LYS 74 9.170 -8.849 -1.178 583 HE2 LYS 74 2HE LYS 74 6.943 -10.847 -1.141 584 HE3 LYS 74 1HE LYS 74 8.603 -11.366 -1.451 585 HZ1 LYS 74 3HZ LYS 74 9.261 -10.506 0.671 586 HZ2 LYS 74 1HZ LYS 74 7.911 -11.501 0.908 587 HZ3 LYS 74 2HZ LYS 74 7.734 -9.817 0.937 588 HA PRO 75 HA PRO 75 4.685 -6.602 2.728 589 HB2 PRO 75 2HB PRO 75 3.650 -9.131 2.700 590 HB3 PRO 75 1HB PRO 75 2.727 -7.676 2.317 591 HG2 PRO 75 2HG PRO 75 4.027 -9.638 0.476 592 HG3 PRO 75 1HG PRO 75 2.438 -8.858 0.345 593 HD2 PRO 75 2HD PRO 75 4.548 -8.012 -1.081 594 HD3 PRO 75 1HD PRO 75 3.340 -6.879 -0.447 595 H ARG 76 H ARG 76 5.212 -7.958 4.506 596 HA ARG 76 HA ARG 76 8.006 -8.103 4.554 597 HB2 ARG 76 2HB ARG 76 6.261 -9.343 6.650 598 HB3 ARG 76 1HB ARG 76 7.802 -8.523 6.850 599 HG2 ARG 76 2HG ARG 76 6.756 -6.382 6.283 600 HG3 ARG 76 1HG ARG 76 5.201 -7.192 6.110 601 HD2 ARG 76 2HD ARG 76 6.830 -7.152 8.646 602 HD3 ARG 76 1HD ARG 76 5.515 -6.030 8.291 603 HE ARG 76 HE ARG 76 4.245 -8.336 8.022 604 HH11 ARG 76 1HH1 ARG 76 6.572 -7.400 10.457 605 HH12 ARG 76 2HH1 ARG 76 5.831 -8.340 11.713 606 HH21 ARG 76 1HH2 ARG 76 3.219 -9.537 9.685 607 HH22 ARG 76 2HH2 ARG 76 3.929 -9.555 11.275 608 H ALA 77 H ALA 77 5.539 -10.635 4.539 609 HA ALA 77 HA ALA 77 7.321 -12.706 5.275 610 HB1 ALA 77 1HB ALA 77 4.654 -12.906 3.883 611 HB2 ALA 77 2HB ALA 77 4.915 -12.893 5.627 612 HB3 ALA 77 3HB ALA 77 5.524 -14.231 4.654 613 H VAL 78 H VAL 78 8.929 -13.354 4.118 614 HA VAL 78 HA VAL 78 9.117 -13.219 1.287 615 HB VAL 78 HB VAL 78 10.611 -15.109 3.120 616 HG11 VAL 78 1HG1 VAL 78 11.342 -13.985 0.419 617 HG12 VAL 78 2HG1 VAL 78 10.828 -15.639 0.746 618 HG13 VAL 78 3HG1 VAL 78 12.350 -15.040 1.407 619 HG21 VAL 78 3HG2 VAL 78 10.829 -12.830 3.938 620 HG22 VAL 78 1HG2 VAL 78 11.296 -12.280 2.331 621 HG23 VAL 78 2HG2 VAL 78 12.348 -13.375 3.225 622 H LYS 79 H LYS 79 7.420 -15.233 3.396 623 HA LYS 79 HA LYS 79 7.452 -17.737 2.186 624 HB2 LYS 79 2HB LYS 79 5.127 -16.440 3.613 625 HB3 LYS 79 1HB LYS 79 5.365 -18.163 3.367 626 HG2 LYS 79 2HG LYS 79 7.157 -16.382 5.002 627 HG3 LYS 79 1HG LYS 79 5.904 -17.441 5.648 628 HD2 LYS 79 2HD LYS 79 7.089 -19.370 4.618 629 HD3 LYS 79 1HD LYS 79 8.381 -18.268 4.141 630 HE2 LYS 79 2HE LYS 79 7.482 -18.869 6.957 631 HE3 LYS 79 1HE LYS 79 8.971 -19.420 6.193 632 HZ1 LYS 79 3HZ LYS 79 9.390 -17.532 7.611 633 HZ2 LYS 79 1HZ LYS 79 8.252 -16.599 6.777 634 HZ3 LYS 79 2HZ LYS 79 9.667 -17.102 6.001 635 H ASN 80 H ASN 80 5.370 -14.928 1.483 636 HA ASN 80 HA ASN 80 3.789 -16.389 -0.389 637 HB2 ASN 80 2HB ASN 80 3.112 -13.994 -1.136 638 HB3 ASN 80 1HB ASN 80 2.567 -14.629 0.412 639 HD21 ASN 80 1HD2 ASN 80 2.973 -13.537 2.141 640 HD22 ASN 80 2HD2 ASN 80 4.049 -12.202 2.256 641 H SER 81 H SER 81 6.513 -14.233 -0.573 642 HA SER 81 HA SER 81 8.169 -14.002 -2.080 643 HB2 SER 81 2HB SER 81 6.849 -16.268 -3.583 644 HB3 SER 81 1HB SER 81 8.480 -15.656 -3.848 645 HG SER 81 HG SER 81 8.155 -16.226 -1.245 646 H SER 82 H SER 82 5.223 -14.720 -4.006 647 HA SER 82 HA SER 82 5.977 -12.432 -5.686 648 HB2 SER 82 2HB SER 82 4.638 -13.649 -7.464 649 HB3 SER 82 1HB SER 82 6.137 -14.428 -6.957 650 HG SER 82 HG SER 82 3.720 -15.452 -6.951 651 H VAL 83 H VAL 83 4.645 -11.535 -3.624 652 HA VAL 83 HA VAL 83 2.147 -10.714 -4.919 653 HB VAL 83 HB VAL 83 1.503 -12.189 -3.038 654 HG11 VAL 83 1HG1 VAL 83 2.921 -10.187 -1.303 655 HG12 VAL 83 2HG1 VAL 83 3.429 -11.849 -1.601 656 HG13 VAL 83 3HG1 VAL 83 1.926 -11.529 -0.737 657 HG21 VAL 83 3HG2 VAL 83 -0.029 -10.648 -1.917 658 HG22 VAL 83 1HG2 VAL 83 0.032 -10.340 -3.653 659 HG23 VAL 83 2HG2 VAL 83 0.892 -9.279 -2.538 660 H GLN 84 H GLN 84 1.926 -8.538 -5.037 661 HA GLN 84 HA GLN 84 3.807 -6.898 -3.486 662 HB2 GLN 84 2HB GLN 84 3.391 -6.735 -6.473 663 HB3 GLN 84 1HB GLN 84 4.334 -5.598 -5.519 664 HG2 GLN 84 2HG GLN 84 5.902 -7.328 -4.930 665 HG3 GLN 84 1HG GLN 84 4.927 -8.536 -5.765 666 HE21 GLN 84 1HE2 GLN 84 6.587 -9.107 -7.128 667 HE22 GLN 84 2HE2 GLN 84 7.118 -8.087 -8.418 668 H PHE 85 H PHE 85 3.073 -4.916 -2.909 669 HA PHE 85 HA PHE 85 0.341 -4.226 -3.736 670 HB2 PHE 85 2HB PHE 85 1.950 -3.271 -1.354 671 HB3 PHE 85 1HB PHE 85 0.329 -2.718 -1.765 672 HD1 PHE 85 2HD PHE 85 -1.577 -4.304 -1.640 673 HD2 PHE 85 1HD PHE 85 2.303 -5.306 -0.227 674 HE1 PHE 85 2HE PHE 85 -2.533 -6.169 -0.350 675 HE2 PHE 85 1HE PHE 85 1.355 -7.175 1.060 676 HZ PHE 85 HZ PHE 85 -1.061 -7.610 1.002 677 H HIS 86 H HIS 86 0.100 -2.635 -5.104 678 HA HIS 86 HA HIS 86 2.347 -0.809 -5.566 679 HB2 HIS 86 2HB HIS 86 -0.202 -1.193 -7.162 680 HB3 HIS 86 1HB HIS 86 1.129 -0.127 -7.598 681 HD1 HIS 86 1HD HIS 86 -0.170 -3.043 -8.783 682 HD2 HIS 86 2HD HIS 86 3.651 -2.085 -7.428 683 HE1 HIS 86 1HE HIS 86 1.378 -4.725 -9.845 684 HE2 HIS 86 2HE HIS 86 3.688 -4.084 -9.071 685 H VAL 87 H VAL 87 2.282 0.834 -4.141 686 HA VAL 87 HA VAL 87 -0.329 1.818 -3.289 687 HB VAL 87 HB VAL 87 2.464 2.473 -2.338 688 HG11 VAL 87 1HG1 VAL 87 -0.182 3.486 -1.326 689 HG12 VAL 87 2HG1 VAL 87 1.061 4.435 -2.142 690 HG13 VAL 87 3HG1 VAL 87 1.379 3.747 -0.550 691 HG21 VAL 87 3HG2 VAL 87 1.771 1.368 -0.274 692 HG22 VAL 87 1HG2 VAL 87 1.690 0.271 -1.652 693 HG23 VAL 87 2HG2 VAL 87 0.212 0.985 -1.003 694 H ILE 88 H ILE 88 -1.215 3.275 -4.527 695 HA ILE 88 HA ILE 88 0.504 5.087 -6.065 696 HB ILE 88 HB ILE 88 -2.361 4.247 -6.507 697 HG12 ILE 88 2HG1 ILE 88 0.134 3.704 -8.131 698 HG13 ILE 88 1HG1 ILE 88 -0.618 2.551 -7.034 699 HG21 ILE 88 1HG2 ILE 88 -2.032 6.558 -7.185 700 HG22 ILE 88 2HG2 ILE 88 -2.242 5.518 -8.592 701 HG23 ILE 88 3HG2 ILE 88 -0.633 6.088 -8.150 702 HD11 ILE 88 3HD1 ILE 88 -2.629 2.551 -8.406 703 HD12 ILE 88 1HD1 ILE 88 -1.206 2.093 -9.342 704 HD13 ILE 88 2HD1 ILE 88 -1.882 3.713 -9.502 705 H PHE 89 H PHE 89 0.366 7.230 -5.813 706 HA PHE 89 HA PHE 89 -1.351 8.150 -3.634 707 HB2 PHE 89 2HB PHE 89 1.184 9.296 -4.803 708 HB3 PHE 89 1HB PHE 89 0.243 10.057 -3.523 709 HD1 PHE 89 1HD PHE 89 -0.430 8.349 -1.597 710 HD2 PHE 89 2HD PHE 89 2.976 8.023 -4.123 711 HE1 PHE 89 1HE PHE 89 0.648 6.892 0.056 712 HE2 PHE 89 2HE PHE 89 4.065 6.571 -2.459 713 HZ PHE 89 HZ PHE 89 2.878 6.015 -0.385 714 H ASP 90 H ASP 90 -3.211 8.954 -4.409 715 HA ASP 90 HA ASP 90 -3.326 10.114 -7.066 716 HB2 ASP 90 2HB ASP 90 -5.431 9.434 -5.023 717 HB3 ASP 90 1HB ASP 90 -5.810 10.340 -6.480 718 H GLU 91 H GLU 91 -3.224 12.199 -7.495 719 HA GLU 91 HA GLU 91 -3.513 14.114 -5.309 720 HB2 GLU 91 2HB GLU 91 -1.962 14.030 -7.765 721 HB3 GLU 91 1HB GLU 91 -2.851 15.539 -7.604 722 HG2 GLU 91 2HG GLU 91 -1.058 14.398 -5.474 723 HG3 GLU 91 1HG GLU 91 -0.555 15.597 -6.664 724 H GLU 92 H GLU 92 -5.269 15.251 -5.058 725 HA GLU 92 HA GLU 92 -6.989 15.760 -7.368 726 HB2 GLU 92 2HB GLU 92 -8.942 15.638 -5.724 727 HB3 GLU 92 1HB GLU 92 -8.219 14.117 -6.222 728 HG2 GLU 92 2HG GLU 92 -6.943 14.059 -4.118 729 HG3 GLU 92 1HG GLU 92 -7.739 15.552 -3.621 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -1.157 -15.761 -6.786 2 H2 GLY 1 2HT GLY 1 0.423 -15.352 -6.352 3 H3 GLY 1 3HT GLY 1 -0.562 -16.182 -5.260 4 HA2 GLY 1 1HA GLY 1 1.039 -17.678 -6.255 5 HA3 GLY 1 2HA GLY 1 -0.607 -18.106 -6.703 6 H SER 2 H SER 2 1.071 -19.170 -8.339 7 HA SER 2 HA SER 2 1.679 -17.357 -10.535 8 HB2 SER 2 2HB SER 2 3.346 -19.066 -9.842 9 HB3 SER 2 1HB SER 2 2.202 -20.333 -10.283 10 HG SER 2 HG SER 2 3.907 -19.544 -11.880 11 H ALA 3 H ALA 3 0.117 -16.918 -11.944 12 HA ALA 3 HA ALA 3 -1.574 -19.138 -12.867 13 HB1 ALA 3 1HB ALA 3 -2.549 -16.332 -12.355 14 HB2 ALA 3 2HB ALA 3 -2.873 -17.730 -11.329 15 HB3 ALA 3 3HB ALA 3 -3.507 -17.677 -12.974 16 H MET 4 H MET 4 -0.870 -15.720 -13.624 17 HA MET 4 HA MET 4 -1.006 -16.350 -16.466 18 HB2 MET 4 2HB MET 4 -0.720 -13.721 -15.004 19 HB3 MET 4 1HB MET 4 -0.777 -13.875 -16.754 20 HG2 MET 4 2HG MET 4 -2.958 -14.661 -14.836 21 HG3 MET 4 1HG MET 4 -2.933 -13.220 -15.850 22 HE1 MET 4 3HE MET 4 -3.217 -14.727 -19.448 23 HE2 MET 4 1HE MET 4 -1.725 -14.342 -18.589 24 HE3 MET 4 2HE MET 4 -3.109 -13.254 -18.484 25 H GLY 5 H GLY 5 0.917 -17.658 -16.417 26 HA2 GLY 5 2HA GLY 5 3.077 -17.155 -17.632 27 HA3 GLY 5 1HA GLY 5 3.407 -16.083 -16.276 28 H HIS 6 H HIS 6 5.338 -17.721 -16.472 29 HA HIS 6 HA HIS 6 4.807 -20.182 -15.013 30 HB2 HIS 6 2HB HIS 6 6.472 -19.990 -16.941 31 HB3 HIS 6 1HB HIS 6 7.507 -19.104 -15.828 32 HD1 HIS 6 1HD HIS 6 9.184 -20.541 -14.722 33 HD2 HIS 6 2HD HIS 6 5.746 -22.657 -15.703 34 HE1 HIS 6 1HE HIS 6 9.629 -22.914 -14.025 35 HE2 HIS 6 2HE HIS 6 7.599 -24.201 -14.778 36 H MET 7 H MET 7 6.680 -17.202 -14.637 37 HA MET 7 HA MET 7 6.291 -17.431 -11.739 38 HB2 MET 7 2HB MET 7 8.615 -18.065 -12.212 39 HB3 MET 7 1HB MET 7 8.854 -16.564 -13.095 40 HG2 MET 7 2HG MET 7 9.807 -16.484 -10.843 41 HG3 MET 7 1HG MET 7 8.543 -15.280 -11.077 42 HE1 MET 7 3HE MET 7 9.523 -18.690 -9.421 43 HE2 MET 7 1HE MET 7 8.145 -19.163 -10.414 44 HE3 MET 7 2HE MET 7 8.011 -19.177 -8.656 45 HA PRO 8 HA PRO 8 4.965 -13.300 -13.159 46 HB2 PRO 8 2HB PRO 8 2.426 -13.413 -12.363 47 HB3 PRO 8 1HB PRO 8 2.950 -14.254 -13.826 48 HG2 PRO 8 2HG PRO 8 2.338 -15.348 -11.126 49 HG3 PRO 8 1HG PRO 8 2.066 -16.070 -12.721 50 HD2 PRO 8 2HD PRO 8 4.221 -16.598 -10.983 51 HD3 PRO 8 1HD PRO 8 4.093 -17.085 -12.683 52 H ALA 9 H ALA 9 3.728 -11.588 -11.815 53 HA ALA 9 HA ALA 9 4.312 -11.916 -8.950 54 HB1 ALA 9 1HB ALA 9 4.587 -9.378 -10.557 55 HB2 ALA 9 2HB ALA 9 5.913 -10.366 -9.946 56 HB3 ALA 9 3HB ALA 9 4.842 -9.539 -8.818 57 H VAL 10 H VAL 10 2.768 -11.252 -7.548 58 HA VAL 10 HA VAL 10 0.134 -10.812 -8.703 59 HB VAL 10 HB VAL 10 1.004 -11.384 -5.863 60 HG11 VAL 10 1HG1 VAL 10 -1.795 -11.293 -6.981 61 HG12 VAL 10 2HG1 VAL 10 -1.077 -10.059 -5.945 62 HG13 VAL 10 3HG1 VAL 10 -1.334 -11.691 -5.327 63 HG21 VAL 10 3HG2 VAL 10 -0.047 -13.580 -6.292 64 HG22 VAL 10 1HG2 VAL 10 1.342 -13.267 -7.331 65 HG23 VAL 10 2HG2 VAL 10 -0.295 -13.104 -7.969 66 H ASP 11 H ASP 11 -0.741 -8.883 -8.840 67 HA ASP 11 HA ASP 11 0.551 -6.668 -7.402 68 HB2 ASP 11 2HB ASP 11 0.599 -6.577 -9.885 69 HB3 ASP 11 1HB ASP 11 -1.160 -6.595 -9.903 70 H VAL 12 H VAL 12 -0.511 -5.966 -5.707 71 HA VAL 12 HA VAL 12 -3.460 -5.796 -5.840 72 HB VAL 12 HB VAL 12 -1.823 -5.969 -3.299 73 HG11 VAL 12 1HG1 VAL 12 -4.776 -6.245 -3.822 74 HG12 VAL 12 2HG1 VAL 12 -3.970 -4.872 -3.059 75 HG13 VAL 12 3HG1 VAL 12 -3.987 -6.444 -2.257 76 HG21 VAL 12 3HG2 VAL 12 -1.593 -8.066 -4.544 77 HG22 VAL 12 1HG2 VAL 12 -3.350 -8.190 -4.651 78 HG23 VAL 12 2HG2 VAL 12 -2.555 -8.283 -3.080 79 H GLU 13 H GLU 13 -4.221 -3.664 -5.715 80 HA GLU 13 HA GLU 13 -2.042 -1.739 -5.351 81 HB2 GLU 13 2HB GLU 13 -3.168 -0.305 -7.028 82 HB3 GLU 13 1HB GLU 13 -2.587 -1.829 -7.671 83 HG2 GLU 13 2HG GLU 13 -4.881 -2.722 -7.542 84 HG3 GLU 13 1HG GLU 13 -5.433 -1.137 -6.997 85 H ILE 14 H ILE 14 -2.270 -0.104 -4.074 86 HA ILE 14 HA ILE 14 -4.907 0.364 -2.856 87 HB ILE 14 HB ILE 14 -2.402 1.225 -1.465 88 HG12 ILE 14 2HG1 ILE 14 -3.490 -1.602 -1.280 89 HG13 ILE 14 1HG1 ILE 14 -2.011 -1.165 -2.124 90 HG21 ILE 14 1HG2 ILE 14 -4.526 1.894 -0.565 91 HG22 ILE 14 2HG2 ILE 14 -3.796 0.707 0.518 92 HG23 ILE 14 3HG2 ILE 14 -5.099 0.227 -0.568 93 HD11 ILE 14 3HD1 ILE 14 -2.533 -0.887 0.832 94 HD12 ILE 14 1HD1 ILE 14 -1.054 -0.380 0.009 95 HD13 ILE 14 2HD1 ILE 14 -1.496 -2.085 0.051 96 H HIS 15 H HIS 15 -5.392 2.630 -2.404 97 HA HIS 15 HA HIS 15 -3.776 4.454 -4.051 98 HB2 HIS 15 2HB HIS 15 -6.781 4.329 -3.795 99 HB3 HIS 15 1HB HIS 15 -5.924 5.681 -4.529 100 HD1 HIS 15 1HD HIS 15 -7.250 2.350 -5.265 101 HD2 HIS 15 2HD HIS 15 -4.447 4.939 -6.924 102 HE1 HIS 15 1HE HIS 15 -6.792 1.463 -7.571 103 HE2 HIS 15 2HE HIS 15 -5.297 3.188 -8.629 104 H PHE 16 H PHE 16 -3.063 6.217 -3.135 105 HA PHE 16 HA PHE 16 -4.123 7.000 -0.495 106 HB2 PHE 16 2HB PHE 16 -1.270 6.617 -1.394 107 HB3 PHE 16 1HB PHE 16 -1.672 7.643 -0.028 108 HD1 PHE 16 2HD PHE 16 -2.596 4.196 -1.181 109 HD2 PHE 16 1HD PHE 16 -1.295 6.712 1.981 110 HE1 PHE 16 2HE PHE 16 -2.500 2.253 0.324 111 HE2 PHE 16 1HE PHE 16 -1.196 4.777 3.495 112 HZ PHE 16 HZ PHE 16 -1.802 2.541 2.666 113 HA PRO 17 HA PRO 17 -4.215 10.937 -2.864 114 HB2 PRO 17 2HB PRO 17 -5.525 11.808 -0.373 115 HB3 PRO 17 1HB PRO 17 -6.063 11.986 -2.044 116 HG2 PRO 17 2HG PRO 17 -7.216 10.259 -0.349 117 HG3 PRO 17 1HG PRO 17 -7.074 9.923 -2.081 118 HD2 PRO 17 2HD PRO 17 -5.511 8.822 0.206 119 HD3 PRO 17 1HD PRO 17 -6.002 8.035 -1.306 120 H LEU 18 H LEU 18 -2.467 12.166 -2.793 121 HA LEU 18 HA LEU 18 -0.449 11.750 -0.966 122 HB2 LEU 18 2HB LEU 18 0.204 14.180 -1.936 123 HB3 LEU 18 1HB LEU 18 0.686 12.652 -2.607 124 HG LEU 18 HG LEU 18 -0.079 14.411 -4.189 125 HD11 LEU 18 1HD1 LEU 18 -1.284 11.690 -4.189 126 HD12 LEU 18 2HD1 LEU 18 0.068 12.324 -5.119 127 HD13 LEU 18 3HD1 LEU 18 -1.578 12.824 -5.501 128 HD21 LEU 18 3HD2 LEU 18 -1.936 15.313 -2.919 129 HD22 LEU 18 1HD2 LEU 18 -2.819 13.801 -3.122 130 HD23 LEU 18 2HD2 LEU 18 -2.441 14.800 -4.526 131 H LYS 19 H LYS 19 -2.759 14.361 -1.103 132 HA LYS 19 HA LYS 19 -1.510 16.081 0.718 133 HB2 LYS 19 2HB LYS 19 -4.424 15.804 -0.005 134 HB3 LYS 19 1HB LYS 19 -3.783 17.105 0.982 135 HG2 LYS 19 2HG LYS 19 -2.372 17.823 -0.877 136 HG3 LYS 19 1HG LYS 19 -3.016 16.514 -1.865 137 HD2 LYS 19 2HD LYS 19 -4.699 18.702 -0.645 138 HD3 LYS 19 1HD LYS 19 -4.074 18.721 -2.293 139 HE2 LYS 19 2HE LYS 19 -5.302 16.762 -2.851 140 HE3 LYS 19 1HE LYS 19 -5.861 16.572 -1.192 141 HZ1 LYS 19 3HZ LYS 19 -7.263 18.392 -1.383 142 HZ2 LYS 19 1HZ LYS 19 -7.424 17.646 -2.895 143 HZ3 LYS 19 2HZ LYS 19 -6.451 19.022 -2.726 144 H ARG 20 H ARG 20 -3.583 13.310 1.279 145 HA ARG 20 HA ARG 20 -3.847 14.064 4.083 146 HB2 ARG 20 2HB ARG 20 -5.471 12.574 2.236 147 HB3 ARG 20 1HB ARG 20 -5.159 11.620 3.682 148 HG2 ARG 20 2HG ARG 20 -6.144 13.171 5.084 149 HG3 ARG 20 1HG ARG 20 -6.045 14.463 3.885 150 HD2 ARG 20 2HD ARG 20 -7.651 13.006 2.498 151 HD3 ARG 20 1HD ARG 20 -7.953 12.149 4.012 152 HE ARG 20 HE ARG 20 -8.185 15.017 4.217 153 HH11 ARG 20 1HH1 ARG 20 -9.937 12.049 3.551 154 HH12 ARG 20 2HH1 ARG 20 -11.496 12.797 3.764 155 HH21 ARG 20 1HH2 ARG 20 -10.218 15.976 4.488 156 HH22 ARG 20 2HH2 ARG 20 -11.656 15.023 4.291 157 H ILE 21 H ILE 21 -2.387 11.529 2.094 158 HA ILE 21 HA ILE 21 -1.541 9.955 4.318 159 HB ILE 21 HB ILE 21 -1.625 8.891 2.172 160 HG12 ILE 21 2HG1 ILE 21 0.639 7.923 1.975 161 HG13 ILE 21 1HG1 ILE 21 1.274 9.213 2.987 162 HG21 ILE 21 1HG2 ILE 21 0.063 9.544 0.386 163 HG22 ILE 21 2HG2 ILE 21 0.239 11.056 1.279 164 HG23 ILE 21 3HG2 ILE 21 -1.329 10.599 0.617 165 HD11 ILE 21 3HD1 ILE 21 -0.774 7.192 3.864 166 HD12 ILE 21 1HD1 ILE 21 -0.007 8.420 4.866 167 HD13 ILE 21 2HD1 ILE 21 0.954 7.100 4.199 168 H ALA 22 H ALA 22 -0.283 12.801 2.714 169 HA ALA 22 HA ALA 22 2.326 12.688 3.910 170 HB1 ALA 22 1HB ALA 22 2.617 14.942 3.046 171 HB2 ALA 22 2HB ALA 22 0.897 15.037 2.670 172 HB3 ALA 22 3HB ALA 22 1.925 13.893 1.810 173 H ALA 23 H ALA 23 -0.700 13.355 5.091 174 HA ALA 23 HA ALA 23 0.241 15.241 7.137 175 HB1 ALA 23 1HB ALA 23 -2.119 15.668 7.582 176 HB2 ALA 23 2HB ALA 23 -2.577 14.440 6.403 177 HB3 ALA 23 3HB ALA 23 -1.757 15.910 5.872 178 H GLU 24 H GLU 24 -1.531 14.712 9.149 179 HA GLU 24 HA GLU 24 -1.024 11.908 9.842 180 HB2 GLU 24 2HB GLU 24 0.579 13.400 11.031 181 HB3 GLU 24 1HB GLU 24 -0.784 14.251 11.747 182 HG2 GLU 24 2HG GLU 24 0.189 12.648 13.300 183 HG3 GLU 24 1HG GLU 24 -1.476 12.230 12.896 184 H GLY 25 H GLY 25 -2.649 10.896 10.950 185 HA2 GLY 25 2HA GLY 25 -4.843 10.817 11.918 186 HA3 GLY 25 1HA GLY 25 -5.157 12.412 11.241 187 H TYR 26 H TYR 26 -3.488 10.239 9.251 188 HA TYR 26 HA TYR 26 -5.384 10.364 7.196 189 HB2 TYR 26 2HB TYR 26 -2.873 10.080 7.012 190 HB3 TYR 26 1HB TYR 26 -3.127 8.401 7.464 191 HD1 TYR 26 1HD TYR 26 -5.205 10.462 5.231 192 HD2 TYR 26 2HD TYR 26 -2.474 7.256 5.603 193 HE1 TYR 26 1HE TYR 26 -5.571 9.889 2.855 194 HE2 TYR 26 2HE TYR 26 -2.818 6.662 3.246 195 HH TYR 26 HH TYR 26 -4.409 6.972 1.491 196 H ALA 27 H ALA 27 -4.858 8.155 9.812 197 HA ALA 27 HA ALA 27 -6.208 5.900 8.755 198 HB1 ALA 27 1HB ALA 27 -4.715 5.783 10.703 199 HB2 ALA 27 2HB ALA 27 -6.307 5.106 11.047 200 HB3 ALA 27 3HB ALA 27 -5.885 6.711 11.642 201 H GLU 28 H GLU 28 -7.313 8.938 9.621 202 HA GLU 28 HA GLU 28 -10.035 7.974 10.102 203 HB2 GLU 28 2HB GLU 28 -8.686 10.615 10.603 204 HB3 GLU 28 1HB GLU 28 -10.436 10.475 10.584 205 HG2 GLU 28 2HG GLU 28 -9.600 10.389 12.849 206 HG3 GLU 28 1HG GLU 28 -10.331 8.850 12.404 207 H ASP 29 H ASP 29 -8.146 8.756 7.529 208 HA ASP 29 HA ASP 29 -9.947 10.344 5.983 209 HB2 ASP 29 2HB ASP 29 -7.598 10.215 5.300 210 HB3 ASP 29 1HB ASP 29 -7.737 8.469 5.102 211 H GLU 30 H GLU 30 -11.861 9.730 5.347 212 HA GLU 30 HA GLU 30 -12.920 7.174 5.793 213 HB2 GLU 30 2HB GLU 30 -14.223 9.302 5.684 214 HB3 GLU 30 1HB GLU 30 -13.979 9.318 3.944 215 HG2 GLU 30 2HG GLU 30 -15.161 7.175 3.778 216 HG3 GLU 30 1HG GLU 30 -15.447 7.217 5.517 217 H LEU 31 H LEU 31 -11.733 8.775 2.896 218 HA LEU 31 HA LEU 31 -12.496 6.826 1.053 219 HB2 LEU 31 2HB LEU 31 -11.691 9.077 0.460 220 HB3 LEU 31 1HB LEU 31 -10.076 8.618 0.969 221 HG LEU 31 HG LEU 31 -10.284 6.736 -0.772 222 HD11 LEU 31 1HD1 LEU 31 -11.740 7.286 -2.669 223 HD12 LEU 31 2HD1 LEU 31 -12.448 8.599 -1.730 224 HD13 LEU 31 3HD1 LEU 31 -12.655 6.929 -1.204 225 HD21 LEU 31 3HD2 LEU 31 -9.420 8.176 -2.486 226 HD22 LEU 31 1HD2 LEU 31 -8.803 8.672 -0.911 227 HD23 LEU 31 2HD2 LEU 31 -10.095 9.595 -1.677 228 H LEU 32 H LEU 32 -9.527 7.151 3.018 229 HA LEU 32 HA LEU 32 -8.177 4.964 1.897 230 HB2 LEU 32 2HB LEU 32 -7.458 6.891 3.502 231 HB3 LEU 32 1HB LEU 32 -7.913 5.761 4.761 232 HG LEU 32 HG LEU 32 -5.516 5.776 4.249 233 HD11 LEU 32 1HD1 LEU 32 -6.944 3.209 3.661 234 HD12 LEU 32 2HD1 LEU 32 -6.423 3.799 5.241 235 HD13 LEU 32 3HD1 LEU 32 -5.225 3.341 4.030 236 HD21 LEU 32 3HD2 LEU 32 -4.648 4.983 2.194 237 HD22 LEU 32 1HD2 LEU 32 -5.841 6.226 1.816 238 HD23 LEU 32 2HD2 LEU 32 -6.254 4.518 1.629 239 H LEU 33 H LEU 33 -10.421 5.281 4.583 240 HA LEU 33 HA LEU 33 -10.228 2.694 5.585 241 HB2 LEU 33 2HB LEU 33 -12.052 4.933 5.770 242 HB3 LEU 33 1HB LEU 33 -12.839 3.383 5.968 243 HG LEU 33 HG LEU 33 -12.139 4.371 8.115 244 HD11 LEU 33 1HD1 LEU 33 -12.298 1.942 7.888 245 HD12 LEU 33 2HD1 LEU 33 -11.025 2.407 9.014 246 HD13 LEU 33 3HD1 LEU 33 -10.610 1.881 7.383 247 HD21 LEU 33 3HD2 LEU 33 -10.173 5.582 7.340 248 HD22 LEU 33 1HD2 LEU 33 -9.351 4.056 7.007 249 HD23 LEU 33 2HD2 LEU 33 -9.756 4.499 8.667 250 H ASN 34 H ASN 34 -12.259 4.014 3.018 251 HA ASN 34 HA ASN 34 -13.535 1.517 2.450 252 HB2 ASN 34 2HB ASN 34 -13.273 4.020 0.766 253 HB3 ASN 34 1HB ASN 34 -14.273 2.634 0.344 254 HD21 ASN 34 1HD2 ASN 34 -13.897 5.379 2.401 255 HD22 ASN 34 2HD2 ASN 34 -15.483 5.363 3.090 256 H GLN 35 H GLN 35 -10.747 3.257 1.185 257 HA GLN 35 HA GLN 35 -10.343 1.594 -1.087 258 HB2 GLN 35 2HB GLN 35 -8.757 3.669 0.348 259 HB3 GLN 35 1HB GLN 35 -7.971 2.694 -0.883 260 HG2 GLN 35 2HG GLN 35 -9.518 3.448 -2.546 261 HG3 GLN 35 1HG GLN 35 -10.485 4.281 -1.332 262 HE21 GLN 35 1HE2 GLN 35 -8.271 5.317 0.135 263 HE22 GLN 35 2HE2 GLN 35 -7.547 6.557 -0.823 264 H MET 36 H MET 36 -8.591 1.826 2.034 265 HA MET 36 HA MET 36 -7.129 -0.593 1.448 266 HB2 MET 36 2HB MET 36 -6.324 1.378 2.885 267 HB3 MET 36 1HB MET 36 -7.341 0.704 4.152 268 HG2 MET 36 2HG MET 36 -5.001 0.003 4.347 269 HG3 MET 36 1HG MET 36 -6.105 -1.357 4.119 270 HE1 MET 36 3HE MET 36 -2.852 -1.544 3.587 271 HE2 MET 36 1HE MET 36 -2.976 -2.635 2.210 272 HE3 MET 36 2HE MET 36 -4.050 -2.838 3.595 273 H GLY 37 H GLY 37 -10.114 0.263 3.011 274 HA2 GLY 37 2HA GLY 37 -10.529 -2.094 4.500 275 HA3 GLY 37 1HA GLY 37 -11.795 -1.070 3.832 276 H LYS 38 H LYS 38 -11.166 -1.292 1.126 277 HA LYS 38 HA LYS 38 -12.227 -3.769 0.328 278 HB2 LYS 38 2HB LYS 38 -10.646 -1.657 -1.111 279 HB3 LYS 38 1HB LYS 38 -11.227 -3.096 -1.935 280 HG2 LYS 38 2HG LYS 38 -12.979 -1.095 -0.516 281 HG3 LYS 38 1HG LYS 38 -12.689 -1.136 -2.256 282 HD2 LYS 38 2HD LYS 38 -13.927 -3.365 -0.640 283 HD3 LYS 38 1HD LYS 38 -14.816 -2.212 -1.635 284 HE2 LYS 38 2HE LYS 38 -13.649 -3.012 -3.622 285 HE3 LYS 38 1HE LYS 38 -12.725 -4.143 -2.636 286 HZ1 LYS 38 3HZ LYS 38 -14.582 -5.221 -3.736 287 HZ2 LYS 38 1HZ LYS 38 -15.673 -4.174 -2.976 288 HZ3 LYS 38 2HZ LYS 38 -14.769 -5.270 -2.060 289 H VAL 39 H VAL 39 -8.910 -2.519 0.056 290 HA VAL 39 HA VAL 39 -7.882 -5.190 -0.449 291 HB VAL 39 HB VAL 39 -6.443 -2.566 -0.113 292 HG11 VAL 39 1HG1 VAL 39 -5.424 -5.203 -1.130 293 HG12 VAL 39 2HG1 VAL 39 -4.955 -4.395 0.368 294 HG13 VAL 39 3HG1 VAL 39 -4.540 -3.678 -1.188 295 HG21 VAL 39 3HG2 VAL 39 -7.924 -2.536 -2.031 296 HG22 VAL 39 1HG2 VAL 39 -7.227 -4.050 -2.610 297 HG23 VAL 39 2HG2 VAL 39 -6.240 -2.589 -2.558 298 H ASN 40 H ASN 40 -8.757 -5.898 1.730 299 HA ASN 40 HA ASN 40 -6.638 -5.685 3.701 300 HB2 ASN 40 2HB ASN 40 -8.798 -3.925 3.853 301 HB3 ASN 40 1HB ASN 40 -9.148 -5.178 5.049 302 HD21 ASN 40 1HD2 ASN 40 -5.977 -4.101 4.015 303 HD22 ASN 40 2HD2 ASN 40 -5.493 -3.470 5.549 304 H ASP 41 H ASP 41 -9.668 -7.093 2.681 305 HA ASP 41 HA ASP 41 -9.768 -8.780 5.043 306 HB2 ASP 41 2HB ASP 41 -11.602 -8.378 2.703 307 HB3 ASP 41 1HB ASP 41 -11.798 -9.783 3.745 308 H THR 42 H THR 42 -9.068 -9.117 1.627 309 HA THR 42 HA THR 42 -7.942 -11.763 2.221 310 HB THR 42 HB THR 42 -9.435 -11.135 -0.333 311 HG1 THR 42 1HG THR 42 -10.362 -11.807 2.164 312 HG21 THR 42 3HG2 THR 42 -8.581 -13.754 0.905 313 HG22 THR 42 1HG2 THR 42 -7.780 -12.957 -0.448 314 HG23 THR 42 2HG2 THR 42 -9.430 -13.552 -0.628 315 HA PRO 43 HA PRO 43 -4.898 -9.354 -0.287 316 HB2 PRO 43 2HB PRO 43 -3.282 -8.330 1.506 317 HB3 PRO 43 1HB PRO 43 -4.906 -7.646 1.332 318 HG2 PRO 43 2HG PRO 43 -3.869 -9.567 3.387 319 HG3 PRO 43 1HG PRO 43 -4.909 -8.151 3.620 320 HD2 PRO 43 2HD PRO 43 -5.761 -10.799 3.363 321 HD3 PRO 43 1HD PRO 43 -6.794 -9.369 3.178 322 H GLU 44 H GLU 44 -4.937 -12.058 1.581 323 HA GLU 44 HA GLU 44 -3.703 -13.937 1.717 324 HB2 GLU 44 2HB GLU 44 -3.099 -13.629 -0.627 325 HB3 GLU 44 1HB GLU 44 -1.768 -12.577 -0.159 326 HG2 GLU 44 2HG GLU 44 -0.651 -14.394 0.943 327 HG3 GLU 44 1HG GLU 44 -2.023 -15.461 0.659 328 H GLU 45 H GLU 45 -1.846 -10.960 2.070 329 HA GLU 45 HA GLU 45 0.242 -12.033 3.640 330 HB2 GLU 45 2HB GLU 45 -0.112 -9.682 2.453 331 HB3 GLU 45 1HB GLU 45 -0.689 -9.223 4.045 332 HG2 GLU 45 2HG GLU 45 1.997 -10.478 3.576 333 HG3 GLU 45 1HG GLU 45 1.721 -8.741 3.540 334 H GLU 46 H GLU 46 -2.059 -9.683 4.924 335 HA GLU 46 HA GLU 46 -2.798 -11.475 7.096 336 HB2 GLU 46 2HB GLU 46 -1.314 -8.888 7.420 337 HB3 GLU 46 1HB GLU 46 -2.453 -9.399 8.655 338 HG2 GLU 46 2HG GLU 46 -0.172 -11.102 7.697 339 HG3 GLU 46 1HG GLU 46 -0.064 -10.003 9.071 340 H GLY 47 H GLY 47 -3.132 -7.976 6.872 341 HA2 GLY 47 2HA GLY 47 -5.391 -7.572 5.481 342 HA3 GLY 47 1HA GLY 47 -6.008 -8.223 6.987 343 H MET 48 H MET 48 -6.429 -6.852 8.556 344 HA MET 48 HA MET 48 -6.138 -4.098 8.221 345 HB2 MET 48 2HB MET 48 -7.796 -5.305 9.714 346 HB3 MET 48 1HB MET 48 -6.495 -5.425 10.894 347 HG2 MET 48 2HG MET 48 -6.384 -2.791 10.311 348 HG3 MET 48 1HG MET 48 -8.102 -3.104 10.088 349 HE1 MET 48 3HE MET 48 -5.104 -2.940 12.523 350 HE2 MET 48 1HE MET 48 -5.456 -4.668 12.601 351 HE3 MET 48 2HE MET 48 -5.747 -3.645 14.007 352 HA PRO 49 HA PRO 49 -2.278 -4.471 11.250 353 HB2 PRO 49 2HB PRO 49 -1.292 -7.080 10.222 354 HB3 PRO 49 1HB PRO 49 -1.225 -6.419 11.860 355 HG2 PRO 49 2HG PRO 49 -2.947 -8.348 11.266 356 HG3 PRO 49 1HG PRO 49 -3.422 -7.010 12.326 357 HD2 PRO 49 2HD PRO 49 -4.048 -7.457 9.432 358 HD3 PRO 49 1HD PRO 49 -5.103 -6.877 10.739 359 H LEU 50 H LEU 50 -2.203 -6.202 8.128 360 HA LEU 50 HA LEU 50 0.201 -5.076 7.257 361 HB2 LEU 50 2HB LEU 50 -0.084 -6.193 5.315 362 HB3 LEU 50 1HB LEU 50 -1.238 -7.064 6.294 363 HG LEU 50 HG LEU 50 -3.012 -5.524 5.271 364 HD11 LEU 50 1HD1 LEU 50 -2.474 -4.693 3.045 365 HD12 LEU 50 2HD1 LEU 50 -0.788 -5.165 3.264 366 HD13 LEU 50 3HD1 LEU 50 -1.483 -3.888 4.265 367 HD21 LEU 50 3HD2 LEU 50 -2.732 -7.892 4.804 368 HD22 LEU 50 1HD2 LEU 50 -1.526 -7.506 3.576 369 HD23 LEU 50 2HD2 LEU 50 -3.198 -6.992 3.361 370 H ARG 51 H ARG 51 -3.124 -3.955 6.961 371 HA ARG 51 HA ARG 51 -2.734 -1.650 5.475 372 HB2 ARG 51 2HB ARG 51 -4.950 -1.952 5.902 373 HB3 ARG 51 1HB ARG 51 -4.677 -2.530 7.538 374 HG2 ARG 51 2HG ARG 51 -4.219 -0.168 8.206 375 HG3 ARG 51 1HG ARG 51 -4.706 0.325 6.584 376 HD2 ARG 51 2HD ARG 51 -6.921 -0.492 6.917 377 HD3 ARG 51 1HD ARG 51 -6.465 -1.287 8.423 378 HE ARG 51 HE ARG 51 -5.943 1.466 8.645 379 HH11 ARG 51 1HH1 ARG 51 -8.671 -0.732 8.469 380 HH12 ARG 51 2HH1 ARG 51 -9.708 0.291 9.412 381 HH21 ARG 51 1HH2 ARG 51 -7.314 2.804 9.876 382 HH22 ARG 51 2HH2 ARG 51 -8.940 2.296 10.208 383 H ALA 52 H ALA 52 -2.430 -2.053 8.989 384 HA ALA 52 HA ALA 52 -1.814 0.580 9.620 385 HB1 ALA 52 1HB ALA 52 -2.450 -1.127 11.268 386 HB2 ALA 52 2HB ALA 52 -0.964 -0.288 11.722 387 HB3 ALA 52 3HB ALA 52 -0.887 -1.912 11.040 388 H TRP 53 H TRP 53 0.425 -2.136 8.919 389 HA TRP 53 HA TRP 53 2.708 -0.463 9.271 390 HB2 TRP 53 2HB TRP 53 4.047 -2.308 8.837 391 HB3 TRP 53 1HB TRP 53 2.596 -3.026 9.503 392 HD1 TRP 53 HD TRP 53 1.705 -5.047 8.248 393 HE1 TRP 53 1HE TRP 53 2.071 -6.088 5.905 394 HE3 TRP 53 3HE TRP 53 4.619 -1.421 6.147 395 HZ2 TRP 53 2HZ TRP 53 3.425 -5.485 3.558 396 HZ3 TRP 53 3HZ TRP 53 5.451 -1.752 3.857 397 HH2 TRP 53 HH TRP 53 4.858 -3.750 2.589 398 H VAL 54 H VAL 54 0.859 -1.542 6.508 399 HA VAL 54 HA VAL 54 2.544 -0.581 4.486 400 HB VAL 54 HB VAL 54 -0.254 -1.430 4.724 401 HG11 VAL 54 1HG1 VAL 54 0.667 0.220 2.366 402 HG12 VAL 54 2HG1 VAL 54 -0.627 0.631 3.490 403 HG13 VAL 54 3HG1 VAL 54 -0.810 -0.744 2.403 404 HG21 VAL 54 3HG2 VAL 54 1.926 -2.016 2.743 405 HG22 VAL 54 1HG2 VAL 54 0.354 -2.814 2.795 406 HG23 VAL 54 2HG2 VAL 54 1.481 -2.995 4.141 407 H ILE 55 H ILE 55 -0.328 0.941 5.985 408 HA ILE 55 HA ILE 55 -0.104 3.397 4.662 409 HB ILE 55 HB ILE 55 -1.264 2.732 7.367 410 HG12 ILE 55 2HG1 ILE 55 -2.628 3.359 4.747 411 HG13 ILE 55 1HG1 ILE 55 -2.305 1.727 5.328 412 HG21 ILE 55 1HG2 ILE 55 -1.505 5.319 5.837 413 HG22 ILE 55 2HG2 ILE 55 -0.664 5.078 7.369 414 HG23 ILE 55 3HG2 ILE 55 -2.414 4.884 7.287 415 HD11 ILE 55 3HD1 ILE 55 -4.590 2.372 5.759 416 HD12 ILE 55 1HD1 ILE 55 -4.043 3.783 6.664 417 HD13 ILE 55 2HD1 ILE 55 -3.714 2.162 7.276 418 H LYS 56 H LYS 56 1.449 2.182 7.587 419 HA LYS 56 HA LYS 56 2.652 4.622 8.364 420 HB2 LYS 56 2HB LYS 56 2.373 2.567 9.790 421 HB3 LYS 56 1HB LYS 56 3.689 1.836 8.889 422 HG2 LYS 56 2HG LYS 56 4.577 2.657 10.932 423 HG3 LYS 56 1HG LYS 56 5.152 3.710 9.641 424 HD2 LYS 56 2HD LYS 56 2.628 4.535 10.917 425 HD3 LYS 56 1HD LYS 56 4.052 4.589 11.953 426 HE2 LYS 56 2HE LYS 56 3.859 5.893 9.241 427 HE3 LYS 56 1HE LYS 56 3.585 6.724 10.769 428 HZ1 LYS 56 3HZ LYS 56 6.120 5.420 9.915 429 HZ2 LYS 56 1HZ LYS 56 5.862 6.167 11.416 430 HZ3 LYS 56 2HZ LYS 56 5.824 7.088 9.997 431 H CYS 57 H CYS 57 3.889 1.866 6.468 432 HA CYS 57 HA CYS 57 6.445 3.036 6.033 433 HB2 CYS 57 2HB CYS 57 5.028 0.765 4.639 434 HB3 CYS 57 1HB CYS 57 6.694 1.232 4.309 435 HG CYS 57 HG CYS 57 5.897 0.573 7.527 436 H ALA 58 H ALA 58 3.485 2.869 4.069 437 HA ALA 58 HA ALA 58 4.526 4.118 1.768 438 HB1 ALA 58 1HB ALA 58 2.194 4.623 1.201 439 HB2 ALA 58 2HB ALA 58 1.701 4.186 2.837 440 HB3 ALA 58 3HB ALA 58 2.376 2.961 1.763 441 H HIS 59 H HIS 59 3.078 5.331 4.717 442 HA HIS 59 HA HIS 59 2.956 8.069 4.247 443 HB2 HIS 59 2HB HIS 59 2.240 6.583 6.278 444 HB3 HIS 59 1HB HIS 59 3.859 6.907 6.873 445 HD1 HIS 59 1HD HIS 59 1.122 7.797 8.189 446 HD2 HIS 59 2HD HIS 59 3.693 10.201 5.985 447 HE1 HIS 59 1HE HIS 59 0.672 10.143 8.956 448 HE2 HIS 59 2HE HIS 59 2.126 11.591 7.505 449 H GLU 60 H GLU 60 5.569 6.178 5.720 450 HA GLU 60 HA GLU 60 7.410 8.286 5.958 451 HB2 GLU 60 2HB GLU 60 7.795 5.294 5.844 452 HB3 GLU 60 1HB GLU 60 9.087 6.427 6.220 453 HG2 GLU 60 2HG GLU 60 8.022 7.125 8.212 454 HG3 GLU 60 1HG GLU 60 6.525 6.299 7.781 455 H ALA 61 H ALA 61 6.850 5.928 3.394 456 HA ALA 61 HA ALA 61 9.113 6.478 1.825 457 HB1 ALA 61 1HB ALA 61 7.900 5.436 -0.010 458 HB2 ALA 61 2HB ALA 61 6.388 5.580 0.885 459 HB3 ALA 61 3HB ALA 61 7.666 4.520 1.479 460 H LEU 62 H LEU 62 5.872 7.904 1.828 461 HA LEU 62 HA LEU 62 6.320 9.591 -0.403 462 HB2 LEU 62 2HB LEU 62 4.078 8.986 0.385 463 HB3 LEU 62 1HB LEU 62 4.345 9.911 1.852 464 HG LEU 62 HG LEU 62 4.746 11.901 0.210 465 HD11 LEU 62 1HD1 LEU 62 3.045 10.093 -1.495 466 HD12 LEU 62 2HD1 LEU 62 4.729 10.513 -1.820 467 HD13 LEU 62 3HD1 LEU 62 3.486 11.765 -1.846 468 HD21 LEU 62 3HD2 LEU 62 2.933 11.808 1.798 469 HD22 LEU 62 1HD2 LEU 62 2.026 10.738 0.730 470 HD23 LEU 62 2HD2 LEU 62 2.346 12.402 0.244 471 H GLU 63 H GLU 63 6.493 10.167 3.113 472 HA GLU 63 HA GLU 63 7.093 12.923 2.887 473 HB2 GLU 63 2HB GLU 63 7.832 11.035 5.130 474 HB3 GLU 63 1HB GLU 63 7.811 12.788 5.225 475 HG2 GLU 63 2HG GLU 63 5.361 12.726 4.795 476 HG3 GLU 63 1HG GLU 63 5.449 10.962 4.859 477 H LYS 64 H LYS 64 9.047 10.065 2.660 478 HA LYS 64 HA LYS 64 11.590 11.211 3.112 479 HB2 LYS 64 2HB LYS 64 10.873 8.727 3.003 480 HB3 LYS 64 1HB LYS 64 11.051 8.888 1.265 481 HG2 LYS 64 2HG LYS 64 13.285 9.535 3.162 482 HG3 LYS 64 1HG LYS 64 12.999 7.902 2.560 483 HD2 LYS 64 2HD LYS 64 13.223 8.732 0.260 484 HD3 LYS 64 1HD LYS 64 13.549 10.349 0.886 485 HE2 LYS 64 2HE LYS 64 15.519 9.438 2.079 486 HE3 LYS 64 1HE LYS 64 15.212 7.874 1.328 487 HZ1 LYS 64 3HZ LYS 64 15.800 10.396 -0.126 488 HZ2 LYS 64 1HZ LYS 64 15.529 8.884 -0.838 489 HZ3 LYS 64 2HZ LYS 64 16.893 9.133 0.130 490 H ASN 65 H ASN 65 9.511 10.976 0.321 491 HA ASN 65 HA ASN 65 11.077 12.967 -1.065 492 HB2 ASN 65 2HB ASN 65 10.939 11.525 -3.211 493 HB3 ASN 65 1HB ASN 65 12.203 11.160 -2.044 494 HD21 ASN 65 1HD2 ASN 65 9.070 10.182 -3.239 495 HD22 ASN 65 2HD2 ASN 65 9.178 8.529 -2.752 496 HA PRO 66 HA PRO 66 6.484 13.196 -1.182 497 HB2 PRO 66 2HB PRO 66 6.202 15.725 -0.353 498 HB3 PRO 66 1HB PRO 66 6.620 14.429 0.770 499 HG2 PRO 66 2HG PRO 66 8.407 16.453 -0.530 500 HG3 PRO 66 1HG PRO 66 8.380 15.905 1.157 501 HD2 PRO 66 2HD PRO 66 10.140 14.962 -0.713 502 HD3 PRO 66 1HD PRO 66 9.609 14.027 0.695 503 H LYS 67 H LYS 67 7.930 13.315 -3.547 504 HA LYS 67 HA LYS 67 6.348 15.264 -5.040 505 HB2 LYS 67 2HB LYS 67 9.344 14.951 -5.352 506 HB3 LYS 67 1HB LYS 67 8.314 15.857 -6.452 507 HG2 LYS 67 2HG LYS 67 7.700 17.355 -4.601 508 HG3 LYS 67 1HG LYS 67 8.796 16.467 -3.544 509 HD2 LYS 67 2HD LYS 67 9.575 17.976 -6.036 510 HD3 LYS 67 1HD LYS 67 9.817 18.525 -4.382 511 HE2 LYS 67 2HE LYS 67 11.871 17.637 -4.718 512 HE3 LYS 67 1HE LYS 67 11.048 16.159 -4.222 513 HZ1 LYS 67 3HZ LYS 67 11.522 17.041 -7.019 514 HZ2 LYS 67 1HZ LYS 67 10.705 15.631 -6.568 515 HZ3 LYS 67 2HZ LYS 67 12.347 15.804 -6.215 516 H ILE 68 H ILE 68 6.108 12.481 -4.605 517 HA ILE 68 HA ILE 68 6.780 11.346 -7.233 518 HB ILE 68 HB ILE 68 6.340 9.137 -6.123 519 HG12 ILE 68 2HG1 ILE 68 6.466 10.782 -3.581 520 HG13 ILE 68 1HG1 ILE 68 5.003 10.054 -4.234 521 HG21 ILE 68 1HG2 ILE 68 8.578 9.889 -6.540 522 HG22 ILE 68 2HG2 ILE 68 8.518 9.103 -4.961 523 HG23 ILE 68 3HG2 ILE 68 8.561 10.865 -5.072 524 HD11 ILE 68 3HD1 ILE 68 5.990 7.841 -3.962 525 HD12 ILE 68 1HD1 ILE 68 5.907 8.721 -2.437 526 HD13 ILE 68 2HD1 ILE 68 7.444 8.579 -3.288 527 H ARG 69 H ARG 69 5.013 9.221 -7.217 528 HA ARG 69 HA ARG 69 2.354 10.416 -7.021 529 HB2 ARG 69 2HB ARG 69 1.775 9.956 -9.318 530 HB3 ARG 69 1HB ARG 69 3.202 10.983 -9.287 531 HG2 ARG 69 2HG ARG 69 4.623 9.157 -9.833 532 HG3 ARG 69 1HG ARG 69 3.314 7.997 -9.615 533 HD2 ARG 69 2HD ARG 69 2.116 9.116 -11.495 534 HD3 ARG 69 1HD ARG 69 3.557 10.097 -11.760 535 HE ARG 69 HE ARG 69 4.565 7.619 -11.854 536 HH11 ARG 69 1HH1 ARG 69 1.768 9.037 -13.411 537 HH12 ARG 69 2HH1 ARG 69 1.828 7.970 -14.778 538 HH21 ARG 69 1HH2 ARG 69 4.655 6.213 -13.641 539 HH22 ARG 69 2HH2 ARG 69 3.485 6.366 -14.914 540 H GLU 70 H GLU 70 4.418 7.661 -7.126 541 HA GLU 70 HA GLU 70 2.393 5.979 -6.046 542 HB2 GLU 70 2HB GLU 70 1.526 5.537 -8.094 543 HB3 GLU 70 1HB GLU 70 3.015 5.949 -8.938 544 HG2 GLU 70 2HG GLU 70 3.872 3.713 -7.890 545 HG3 GLU 70 1HG GLU 70 2.148 3.347 -7.797 546 H VAL 71 H VAL 71 3.250 4.031 -5.191 547 HA VAL 71 HA VAL 71 6.110 3.517 -5.587 548 HB VAL 71 HB VAL 71 6.419 3.092 -3.160 549 HG11 VAL 71 1HG1 VAL 71 7.248 5.149 -4.073 550 HG12 VAL 71 2HG1 VAL 71 6.560 5.468 -2.480 551 HG13 VAL 71 3HG1 VAL 71 5.660 5.897 -3.935 552 HG21 VAL 71 3HG2 VAL 71 4.149 2.751 -2.456 553 HG22 VAL 71 1HG2 VAL 71 3.713 4.397 -2.920 554 HG23 VAL 71 2HG2 VAL 71 4.818 4.122 -1.574 555 H TYR 72 H TYR 72 6.758 1.371 -4.907 556 HA TYR 72 HA TYR 72 4.512 -0.543 -4.924 557 HB2 TYR 72 2HB TYR 72 7.287 -1.247 -5.849 558 HB3 TYR 72 1HB TYR 72 5.753 -1.994 -6.285 559 HD1 TYR 72 1HD TYR 72 4.159 -0.654 -7.770 560 HD2 TYR 72 2HD TYR 72 8.238 0.408 -7.202 561 HE1 TYR 72 1HE TYR 72 4.076 0.732 -9.797 562 HE2 TYR 72 2HE TYR 72 8.167 1.793 -9.232 563 HH TYR 72 HH TYR 72 5.274 2.702 -10.725 564 H LEU 73 H LEU 73 4.290 -1.446 -2.947 565 HA LEU 73 HA LEU 73 6.740 -1.796 -1.367 566 HB2 LEU 73 2HB LEU 73 5.481 -1.559 0.644 567 HB3 LEU 73 1HB LEU 73 5.104 -0.222 -0.404 568 HG LEU 73 HG LEU 73 2.974 -1.544 -1.003 569 HD11 LEU 73 1HD1 LEU 73 3.934 -3.597 0.177 570 HD12 LEU 73 2HD1 LEU 73 2.250 -3.175 0.508 571 HD13 LEU 73 3HD1 LEU 73 3.504 -2.760 1.669 572 HD21 LEU 73 3HD2 LEU 73 1.805 -0.582 0.851 573 HD22 LEU 73 1HD2 LEU 73 3.111 0.518 0.408 574 HD23 LEU 73 2HD2 LEU 73 3.277 -0.534 1.820 575 H LYS 74 H LYS 74 7.306 -3.722 -0.592 576 HA LYS 74 HA LYS 74 5.609 -6.011 -1.335 577 HB2 LYS 74 2HB LYS 74 7.830 -5.855 -2.457 578 HB3 LYS 74 1HB LYS 74 8.605 -5.888 -0.885 579 HG2 LYS 74 2HG LYS 74 6.818 -8.138 -1.689 580 HG3 LYS 74 1HG LYS 74 8.457 -8.043 -2.334 581 HD2 LYS 74 2HD LYS 74 9.318 -7.918 -0.017 582 HD3 LYS 74 1HD LYS 74 7.670 -8.122 0.577 583 HE2 LYS 74 2HE LYS 74 7.520 -10.298 -0.430 584 HE3 LYS 74 1HE LYS 74 9.096 -10.091 -1.198 585 HZ1 LYS 74 3HZ LYS 74 9.339 -11.431 0.756 586 HZ2 LYS 74 1HZ LYS 74 8.565 -10.273 1.718 587 HZ3 LYS 74 2HZ LYS 74 10.076 -9.939 1.040 588 HA PRO 75 HA PRO 75 4.978 -6.177 2.966 589 HB2 PRO 75 2HB PRO 75 3.556 -8.426 3.203 590 HB3 PRO 75 1HB PRO 75 2.921 -7.011 2.354 591 HG2 PRO 75 2HG PRO 75 4.138 -9.498 1.247 592 HG3 PRO 75 1HG PRO 75 2.710 -8.614 0.684 593 HD2 PRO 75 2HD PRO 75 5.198 -8.389 -0.455 594 HD3 PRO 75 1HD PRO 75 3.962 -7.117 -0.511 595 H ARG 76 H ARG 76 5.222 -7.409 4.890 596 HA ARG 76 HA ARG 76 7.898 -8.248 5.155 597 HB2 ARG 76 2HB ARG 76 5.700 -8.639 7.180 598 HB3 ARG 76 1HB ARG 76 7.416 -8.427 7.487 599 HG2 ARG 76 2HG ARG 76 7.352 -6.145 6.930 600 HG3 ARG 76 1HG ARG 76 5.764 -6.289 6.178 601 HD2 ARG 76 2HD ARG 76 5.440 -5.223 8.268 602 HD3 ARG 76 1HD ARG 76 4.857 -6.876 8.443 603 HE ARG 76 HE ARG 76 7.578 -6.607 9.264 604 HH11 ARG 76 1HH1 ARG 76 4.265 -6.126 10.266 605 HH12 ARG 76 2HH1 ARG 76 4.628 -6.184 11.959 606 HH21 ARG 76 1HH2 ARG 76 8.073 -6.666 11.491 607 HH22 ARG 76 2HH2 ARG 76 6.799 -6.478 12.659 608 H ALA 77 H ALA 77 5.082 -9.970 4.369 609 HA ALA 77 HA ALA 77 5.821 -12.528 5.345 610 HB1 ALA 77 1HB ALA 77 4.006 -11.786 3.051 611 HB2 ALA 77 2HB ALA 77 3.519 -11.997 4.734 612 HB3 ALA 77 3HB ALA 77 4.115 -13.376 3.809 613 H VAL 78 H VAL 78 7.972 -12.802 4.824 614 HA VAL 78 HA VAL 78 9.109 -12.419 2.286 615 HB VAL 78 HB VAL 78 10.994 -13.794 3.092 616 HG11 VAL 78 1HG1 VAL 78 11.618 -12.350 4.966 617 HG12 VAL 78 2HG1 VAL 78 9.943 -11.823 5.120 618 HG13 VAL 78 3HG1 VAL 78 10.861 -11.425 3.670 619 HG21 VAL 78 3HG2 VAL 78 9.262 -14.248 5.523 620 HG22 VAL 78 1HG2 VAL 78 10.961 -14.693 5.373 621 HG23 VAL 78 2HG2 VAL 78 9.753 -15.473 4.353 622 H LYS 79 H LYS 79 7.438 -15.150 3.690 623 HA LYS 79 HA LYS 79 8.303 -17.086 1.803 624 HB2 LYS 79 2HB LYS 79 7.441 -17.701 4.012 625 HB3 LYS 79 1HB LYS 79 5.862 -17.060 3.588 626 HG2 LYS 79 2HG LYS 79 5.887 -19.482 3.444 627 HG3 LYS 79 1HG LYS 79 5.631 -18.763 1.854 628 HD2 LYS 79 2HD LYS 79 7.993 -19.103 1.318 629 HD3 LYS 79 1HD LYS 79 8.254 -19.814 2.910 630 HE2 LYS 79 2HE LYS 79 6.726 -21.623 2.379 631 HE3 LYS 79 1HE LYS 79 6.370 -20.891 0.815 632 HZ1 LYS 79 3HZ LYS 79 8.669 -21.216 0.175 633 HZ2 LYS 79 1HZ LYS 79 7.971 -22.690 0.620 634 HZ3 LYS 79 2HZ LYS 79 9.025 -21.900 1.678 635 H ASN 80 H ASN 80 5.766 -14.701 1.820 636 HA ASN 80 HA ASN 80 4.152 -15.821 -0.213 637 HB2 ASN 80 2HB ASN 80 4.542 -12.975 0.708 638 HB3 ASN 80 1HB ASN 80 3.439 -13.408 -0.584 639 HD21 ASN 80 1HD2 ASN 80 1.694 -12.644 0.526 640 HD22 ASN 80 2HD2 ASN 80 1.011 -13.488 1.864 641 H SER 81 H SER 81 6.894 -13.640 -0.247 642 HA SER 81 HA SER 81 8.413 -13.066 -1.800 643 HB2 SER 81 2HB SER 81 7.395 -15.534 -3.211 644 HB3 SER 81 1HB SER 81 8.872 -14.665 -3.628 645 HG SER 81 HG SER 81 8.764 -15.252 -0.975 646 H SER 82 H SER 82 5.867 -14.307 -3.991 647 HA SER 82 HA SER 82 6.553 -12.187 -5.825 648 HB2 SER 82 2HB SER 82 4.546 -14.420 -6.157 649 HB3 SER 82 1HB SER 82 5.246 -13.427 -7.435 650 HG SER 82 HG SER 82 6.188 -15.616 -6.971 651 H VAL 83 H VAL 83 5.083 -11.355 -3.425 652 HA VAL 83 HA VAL 83 2.636 -10.335 -4.734 653 HB VAL 83 HB VAL 83 2.882 -9.741 -1.886 654 HG11 VAL 83 1HG1 VAL 83 0.867 -9.321 -3.167 655 HG12 VAL 83 2HG1 VAL 83 0.553 -10.464 -1.862 656 HG13 VAL 83 3HG1 VAL 83 0.713 -11.042 -3.521 657 HG21 VAL 83 3HG2 VAL 83 2.286 -11.985 -1.115 658 HG22 VAL 83 1HG2 VAL 83 3.925 -11.862 -1.761 659 HG23 VAL 83 2HG2 VAL 83 2.650 -12.604 -2.731 660 H GLN 84 H GLN 84 2.609 -8.240 -5.229 661 HA GLN 84 HA GLN 84 4.254 -6.495 -3.562 662 HB2 GLN 84 2HB GLN 84 4.034 -6.487 -6.563 663 HB3 GLN 84 1HB GLN 84 4.375 -4.996 -5.702 664 HG2 GLN 84 2HG GLN 84 6.492 -5.645 -6.160 665 HG3 GLN 84 1HG GLN 84 6.280 -6.472 -4.623 666 HE21 GLN 84 1HE2 GLN 84 6.230 -8.690 -4.572 667 HE22 GLN 84 2HE2 GLN 84 6.590 -9.670 -5.949 668 H PHE 85 H PHE 85 3.267 -4.648 -2.879 669 HA PHE 85 HA PHE 85 0.476 -4.280 -3.674 670 HB2 PHE 85 2HB PHE 85 2.092 -3.215 -1.361 671 HB3 PHE 85 1HB PHE 85 0.513 -2.562 -1.787 672 HD1 PHE 85 2HD PHE 85 2.294 -5.454 -0.406 673 HD2 PHE 85 1HD PHE 85 -1.503 -3.811 -1.404 674 HE1 PHE 85 2HE PHE 85 1.189 -7.173 0.966 675 HE2 PHE 85 1HE PHE 85 -2.610 -5.522 -0.032 676 HZ PHE 85 HZ PHE 85 -1.266 -7.206 1.163 677 H HIS 86 H HIS 86 -0.007 -2.847 -5.085 678 HA HIS 86 HA HIS 86 2.010 -0.950 -6.006 679 HB2 HIS 86 2HB HIS 86 0.397 -2.570 -7.385 680 HB3 HIS 86 1HB HIS 86 -0.707 -1.213 -7.219 681 HD1 HIS 86 1HD HIS 86 1.298 -2.518 -9.642 682 HD2 HIS 86 2HD HIS 86 1.080 1.285 -7.982 683 HE1 HIS 86 1HE HIS 86 2.272 -0.964 -11.372 684 HE2 HIS 86 2HE HIS 86 1.956 1.354 -10.409 685 H VAL 87 H VAL 87 1.988 0.812 -4.638 686 HA VAL 87 HA VAL 87 -0.624 1.838 -3.799 687 HB VAL 87 HB VAL 87 2.149 2.493 -2.798 688 HG11 VAL 87 1HG1 VAL 87 0.720 4.468 -2.685 689 HG12 VAL 87 2HG1 VAL 87 1.044 3.829 -1.074 690 HG13 VAL 87 3HG1 VAL 87 -0.515 3.531 -1.843 691 HG21 VAL 87 3HG2 VAL 87 1.358 0.308 -2.097 692 HG22 VAL 87 1HG2 VAL 87 -0.149 1.023 -1.524 693 HG23 VAL 87 2HG2 VAL 87 1.373 1.422 -0.731 694 H ILE 88 H ILE 88 -1.478 3.258 -5.099 695 HA ILE 88 HA ILE 88 0.256 5.099 -6.570 696 HB ILE 88 HB ILE 88 -2.656 4.391 -6.911 697 HG12 ILE 88 2HG1 ILE 88 -1.670 3.889 -9.285 698 HG13 ILE 88 1HG1 ILE 88 -0.138 3.815 -8.419 699 HG21 ILE 88 1HG2 ILE 88 -2.689 5.902 -8.836 700 HG22 ILE 88 2HG2 ILE 88 -1.068 6.454 -8.419 701 HG23 ILE 88 3HG2 ILE 88 -2.414 6.762 -7.323 702 HD11 ILE 88 3HD1 ILE 88 -1.064 2.070 -6.974 703 HD12 ILE 88 1HD1 ILE 88 -1.101 1.610 -8.675 704 HD13 ILE 88 2HD1 ILE 88 -2.579 2.141 -7.874 705 H PHE 89 H PHE 89 0.115 7.285 -6.308 706 HA PHE 89 HA PHE 89 -1.293 8.128 -3.890 707 HB2 PHE 89 2HB PHE 89 1.094 9.223 -5.357 708 HB3 PHE 89 1HB PHE 89 0.248 10.146 -4.135 709 HD1 PHE 89 2HD PHE 89 -0.097 9.062 -1.864 710 HD2 PHE 89 1HD PHE 89 2.727 7.689 -4.729 711 HE1 PHE 89 2HE PHE 89 1.098 7.850 -0.096 712 HE2 PHE 89 1HE PHE 89 3.924 6.468 -2.962 713 HZ PHE 89 HZ PHE 89 3.092 6.550 -0.652 714 H ASP 90 H ASP 90 -3.238 8.900 -4.333 715 HA ASP 90 HA ASP 90 -3.870 9.989 -6.934 716 HB2 ASP 90 2HB ASP 90 -5.449 9.150 -4.541 717 HB3 ASP 90 1HB ASP 90 -6.190 10.240 -5.706 718 H GLU 91 H GLU 91 -4.264 12.046 -7.440 719 HA GLU 91 HA GLU 91 -4.101 14.020 -5.276 720 HB2 GLU 91 2HB GLU 91 -3.568 15.631 -7.191 721 HB3 GLU 91 1HB GLU 91 -2.323 14.477 -6.740 722 HG2 GLU 91 2HG GLU 91 -2.924 13.067 -8.626 723 HG3 GLU 91 1HG GLU 91 -4.210 14.189 -9.066 724 H GLU 92 H GLU 92 -5.836 15.150 -4.799 725 HA GLU 92 HA GLU 92 -8.046 15.214 -6.742 726 HB2 GLU 92 2HB GLU 92 -8.296 15.161 -3.726 727 HB3 GLU 92 1HB GLU 92 -9.618 15.152 -4.882 728 HG2 GLU 92 2HG GLU 92 -8.824 12.961 -5.710 729 HG3 GLU 92 1HG GLU 92 -7.591 12.971 -4.449
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