NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
534143 | 2lpk | 18263 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -14.659 -4.764 5.196 2 H2 MET 1 HT2 MET 1 -14.050 -6.340 5.213 3 H3 MET 1 HT3 MET 1 -15.182 -5.882 4.047 4 HA MET 1 HA MET 1 -12.982 -6.039 3.145 5 HB2 MET 1 HB2 MET 1 -12.969 -3.836 1.999 6 HB3 MET 1 HB1 MET 1 -14.586 -4.514 2.096 7 HG2 MET 1 HG2 MET 1 -13.486 -2.257 3.799 8 HG3 MET 1 HG1 MET 1 -14.651 -2.112 2.481 9 HE1 MET 1 HE1 MET 1 -16.299 -0.714 4.150 10 HE2 MET 1 HE2 MET 1 -15.116 -0.889 5.450 11 HE3 MET 1 HE3 MET 1 -16.803 -1.329 5.723 12 H THR 2 HN THR 2 -11.013 -6.313 4.035 13 HA THR 2 HA THR 2 -9.843 -4.470 5.927 14 HB THR 2 HB THR 2 -8.506 -6.722 4.343 15 HG1 THR 2 HG1 THR 2 -8.861 -7.245 6.967 16 HG21 THR 2 HG21 THR 2 -6.760 -6.637 6.107 17 HG22 THR 2 HG22 THR 2 -7.567 -5.254 6.849 18 HG23 THR 2 HG23 THR 2 -6.849 -5.104 5.240 19 H SER 3 HN SER 3 -9.861 -2.496 4.962 20 HA SER 3 HA SER 3 -9.090 -2.036 2.221 21 HB2 SER 3 HB2 SER 3 -9.741 -0.027 4.418 22 HB3 SER 3 HB1 SER 3 -9.696 0.288 2.679 23 HG SER 3 HG SER 3 -11.657 -0.430 2.566 24 H THR 4 HN THR 4 -7.001 -3.000 2.482 25 HA THR 4 HA THR 4 -4.903 -2.010 4.075 26 HB THR 4 HB THR 4 -4.818 -3.581 1.455 27 HG1 THR 4 HG1 THR 4 -4.703 -5.387 2.877 28 HG21 THR 4 HG21 THR 4 -2.612 -2.600 1.934 29 HG22 THR 4 HG22 THR 4 -2.577 -4.341 2.216 30 HG23 THR 4 HG23 THR 4 -2.672 -3.231 3.581 31 H PHE 5 HN PHE 5 -5.771 -1.446 0.659 32 HA PHE 5 HA PHE 5 -3.881 0.428 -0.124 33 HB2 PHE 5 HB2 PHE 5 -5.251 -0.251 -1.915 34 HB3 PHE 5 HB1 PHE 5 -6.730 -0.147 -0.972 35 HD1 PHE 5 HD1 PHE 5 -4.086 2.065 -2.478 36 HD2 PHE 5 HD2 PHE 5 -8.194 1.681 -1.350 37 HE1 PHE 5 HE1 PHE 5 -4.550 4.305 -3.361 38 HE2 PHE 5 HE2 PHE 5 -8.645 3.924 -2.254 39 HZ PHE 5 HZ PHE 5 -6.819 5.234 -3.244 40 H ASP 6 HN ASP 6 -6.966 0.972 1.551 41 HA ASP 6 HA ASP 6 -7.081 3.763 1.505 42 HB2 ASP 6 HB2 ASP 6 -9.007 2.418 2.183 43 HB3 ASP 6 HB1 ASP 6 -8.150 1.823 3.596 44 H ARG 7 HN ARG 7 -5.706 1.622 3.974 45 HA ARG 7 HA ARG 7 -4.883 3.644 5.773 46 HB2 ARG 7 HB2 ARG 7 -3.886 0.791 5.436 47 HB3 ARG 7 HB1 ARG 7 -3.493 1.834 6.805 48 HG2 ARG 7 HG2 ARG 7 -5.916 1.950 7.375 49 HG3 ARG 7 HG1 ARG 7 -6.263 0.842 6.041 50 HD2 ARG 7 HD2 ARG 7 -6.170 -0.337 8.206 51 HD3 ARG 7 HD1 ARG 7 -4.903 -0.900 7.112 52 HE ARG 7 HE ARG 7 -3.849 1.163 8.715 53 HH11 ARG 7 HH11 ARG 7 -4.961 -2.151 9.129 54 HH12 ARG 7 HH12 ARG 7 -3.913 -2.461 10.473 55 HH21 ARG 7 HH21 ARG 7 -2.478 0.747 10.448 56 HH22 ARG 7 HH22 ARG 7 -2.487 -0.807 11.224 57 H VAL 8 HN VAL 8 -3.231 2.075 3.042 58 HA VAL 8 HA VAL 8 -0.623 3.159 3.587 59 HB VAL 8 HB VAL 8 -1.799 1.952 1.038 60 HG11 VAL 8 HG11 VAL 8 1.115 2.569 1.683 61 HG12 VAL 8 HG12 VAL 8 0.127 3.363 0.453 62 HG13 VAL 8 HG13 VAL 8 0.550 1.660 0.278 63 HG21 VAL 8 HG21 VAL 8 -1.748 0.391 2.955 64 HG22 VAL 8 HG22 VAL 8 -0.017 0.679 3.152 65 HG23 VAL 8 HG23 VAL 8 -0.625 -0.099 1.687 66 H ALA 9 HN ALA 9 -3.377 4.084 1.588 67 HA ALA 9 HA ALA 9 -2.252 6.234 0.152 68 HB1 ALA 9 HB1 ALA 9 -5.166 5.779 0.929 69 HB2 ALA 9 HB2 ALA 9 -4.375 5.160 -0.523 70 HB3 ALA 9 HB3 ALA 9 -4.592 6.900 -0.314 71 H THR 10 HN THR 10 -3.870 6.004 3.287 72 HA THR 10 HA THR 10 -3.835 8.737 4.013 73 HB THR 10 HB THR 10 -3.756 6.287 5.826 74 HG1 THR 10 HG1 THR 10 -5.570 6.651 4.219 75 HG21 THR 10 HG21 THR 10 -3.176 8.319 7.102 76 HG22 THR 10 HG22 THR 10 -4.788 7.749 7.548 77 HG23 THR 10 HG23 THR 10 -4.610 9.142 6.475 78 H ILE 11 HN ILE 11 -1.490 6.089 4.657 79 HA ILE 11 HA ILE 11 0.439 7.497 6.093 80 HB ILE 11 HB ILE 11 0.707 5.142 4.174 81 HG12 ILE 11 HG12 ILE 11 0.765 5.253 7.223 82 HG13 ILE 11 HG11 ILE 11 -0.641 4.813 6.265 83 HG21 ILE 11 HG21 ILE 11 2.951 4.697 5.126 84 HG22 ILE 11 HG22 ILE 11 2.878 6.224 6.005 85 HG23 ILE 11 HG23 ILE 11 2.899 6.222 4.242 86 HD11 ILE 11 HD11 ILE 11 1.955 3.282 6.415 87 HD12 ILE 11 HD12 ILE 11 0.552 2.830 5.445 88 HD13 ILE 11 HD13 ILE 11 0.436 2.862 7.204 89 H ILE 12 HN ILE 12 0.147 7.077 2.571 90 HA ILE 12 HA ILE 12 2.372 8.559 1.735 91 HB ILE 12 HB ILE 12 -0.261 7.846 0.383 92 HG12 ILE 12 HG12 ILE 12 2.569 6.743 0.136 93 HG13 ILE 12 HG11 ILE 12 1.174 5.935 0.835 94 HG21 ILE 12 HG21 ILE 12 2.074 9.218 -0.979 95 HG22 ILE 12 HG22 ILE 12 0.462 9.889 -0.725 96 HG23 ILE 12 HG23 ILE 12 0.681 8.511 -1.802 97 HD11 ILE 12 HD11 ILE 12 0.142 5.845 -1.400 98 HD12 ILE 12 HD12 ILE 12 1.693 5.013 -1.318 99 HD13 ILE 12 HD13 ILE 12 1.588 6.600 -2.076 100 H ALA 13 HN ALA 13 -1.037 9.543 2.122 101 HA ALA 13 HA ALA 13 -0.987 12.198 1.522 102 HB1 ALA 13 HB1 ALA 13 -2.910 12.449 3.027 103 HB2 ALA 13 HB2 ALA 13 -2.496 10.934 3.831 104 HB3 ALA 13 HB3 ALA 13 -3.013 10.924 2.144 105 H GLU 14 HN GLU 14 -0.214 10.785 4.700 106 HA GLU 14 HA GLU 14 0.469 13.173 6.063 107 HB2 GLU 14 HB2 GLU 14 1.394 10.318 6.610 108 HB3 GLU 14 HB1 GLU 14 1.462 11.657 7.760 109 HG2 GLU 14 HG2 GLU 14 -0.952 11.764 7.850 110 HG3 GLU 14 HG1 GLU 14 -1.098 10.558 6.573 111 H THR 15 HN THR 15 2.326 11.002 3.990 112 HA THR 15 HA THR 15 4.935 11.805 4.806 113 HB THR 15 HB THR 15 4.044 10.409 2.239 114 HG1 THR 15 HG1 THR 15 3.791 9.513 4.598 115 HG21 THR 15 HG21 THR 15 6.807 10.530 3.517 116 HG22 THR 15 HG22 THR 15 6.334 11.326 2.011 117 HG23 THR 15 HG23 THR 15 6.364 9.564 2.108 118 H CYS 16 HN CYS 16 3.029 12.546 1.815 119 HA CYS 16 HA CYS 16 5.097 14.468 0.999 120 HB2 CYS 16 HB2 CYS 16 2.948 12.965 -0.549 121 HB3 CYS 16 HB1 CYS 16 4.154 14.035 -1.264 122 HG CYS 16 HG CYS 16 6.287 12.471 -0.917 123 H ASP 17 HN ASP 17 2.602 14.967 2.822 124 HA ASP 17 HA ASP 17 0.904 16.428 3.152 125 HB2 ASP 17 HB2 ASP 17 2.766 18.281 1.608 126 HB3 ASP 17 HB1 ASP 17 1.450 18.809 2.656 127 H ILE 18 HN ILE 18 -0.332 15.021 1.620 128 HA ILE 18 HA ILE 18 -1.582 16.603 -0.514 129 HB ILE 18 HB ILE 18 -1.564 14.508 -2.032 130 HG12 ILE 18 HG12 ILE 18 0.796 13.708 -0.252 131 HG13 ILE 18 HG11 ILE 18 -0.740 12.862 -0.340 132 HG21 ILE 18 HG21 ILE 18 -0.300 16.516 -2.611 133 HG22 ILE 18 HG22 ILE 18 0.592 15.070 -3.080 134 HG23 ILE 18 HG23 ILE 18 1.070 15.970 -1.637 135 HD11 ILE 18 HD11 ILE 18 0.969 11.697 -1.592 136 HD12 ILE 18 HD12 ILE 18 1.271 13.128 -2.575 137 HD13 ILE 18 HD13 ILE 18 -0.281 12.289 -2.688 138 HA PRO 19 HA PRO 19 -5.266 14.773 1.332 139 HB2 PRO 19 HB2 PRO 19 -7.049 14.901 -0.784 140 HB3 PRO 19 HB1 PRO 19 -6.593 16.297 0.199 141 HG2 PRO 19 HG2 PRO 19 -5.523 15.441 -2.487 142 HG3 PRO 19 HG1 PRO 19 -5.986 17.068 -1.937 143 HD2 PRO 19 HD2 PRO 19 -3.392 16.277 -2.021 144 HD3 PRO 19 HD1 PRO 19 -3.980 17.365 -0.745 145 H ARG 20 HN ARG 20 -5.597 12.675 1.754 146 HA ARG 20 HA ARG 20 -4.561 10.494 0.406 147 HB2 ARG 20 HB2 ARG 20 -5.062 10.282 2.738 148 HB3 ARG 20 HB1 ARG 20 -6.746 10.721 2.514 149 HG2 ARG 20 HG2 ARG 20 -5.767 8.166 1.239 150 HG3 ARG 20 HG1 ARG 20 -5.977 8.183 2.988 151 HD2 ARG 20 HD2 ARG 20 -8.326 8.698 2.768 152 HD3 ARG 20 HD1 ARG 20 -8.165 8.982 1.040 153 HE ARG 20 HE ARG 20 -8.286 6.404 2.410 154 HH11 ARG 20 HH11 ARG 20 -7.641 8.009 -0.654 155 HH12 ARG 20 HH12 ARG 20 -8.189 6.672 -1.605 156 HH21 ARG 20 HH21 ARG 20 -8.993 4.665 1.147 157 HH22 ARG 20 HH22 ARG 20 -8.964 4.768 -0.584 158 H GLU 21 HN GLU 21 -7.596 12.092 -0.219 159 HA GLU 21 HA GLU 21 -9.028 9.791 -1.217 160 HB2 GLU 21 HB2 GLU 21 -10.791 11.470 -1.787 161 HB3 GLU 21 HB1 GLU 21 -10.269 11.567 -0.108 162 HG2 GLU 21 HG2 GLU 21 -8.888 13.538 -0.626 163 HG3 GLU 21 HG1 GLU 21 -9.348 13.426 -2.326 164 H THR 22 HN THR 22 -6.873 12.179 -2.553 165 HA THR 22 HA THR 22 -7.775 11.836 -5.310 166 HB THR 22 HB THR 22 -5.914 13.422 -5.873 167 HG1 THR 22 HG1 THR 22 -4.548 14.141 -4.343 168 HG21 THR 22 HG21 THR 22 -7.666 14.397 -3.581 169 HG22 THR 22 HG22 THR 22 -8.141 14.350 -5.282 170 HG23 THR 22 HG23 THR 22 -6.839 15.419 -4.757 171 H ILE 23 HN ILE 23 -5.680 10.185 -3.157 172 HA ILE 23 HA ILE 23 -3.979 9.022 -5.221 173 HB ILE 23 HB ILE 23 -4.300 8.415 -2.234 174 HG12 ILE 23 HG12 ILE 23 -1.811 9.088 -2.177 175 HG13 ILE 23 HG11 ILE 23 -2.014 9.668 -3.822 176 HG21 ILE 23 HG21 ILE 23 -3.877 6.290 -3.345 177 HG22 ILE 23 HG22 ILE 23 -2.441 6.787 -2.450 178 HG23 ILE 23 HG23 ILE 23 -2.492 6.975 -4.206 179 HD11 ILE 23 HD11 ILE 23 -3.429 10.713 -1.377 180 HD12 ILE 23 HD12 ILE 23 -3.640 11.308 -3.027 181 HD13 ILE 23 HD13 ILE 23 -2.079 11.468 -2.224 182 H THR 24 HN THR 24 -4.974 7.623 -6.585 183 HA THR 24 HA THR 24 -7.269 5.971 -5.720 184 HB THR 24 HB THR 24 -7.406 5.424 -8.199 185 HG1 THR 24 HG1 THR 24 -4.985 6.367 -8.292 186 HG21 THR 24 HG21 THR 24 -8.781 7.252 -7.258 187 HG22 THR 24 HG22 THR 24 -8.272 7.626 -8.904 188 HG23 THR 24 HG23 THR 24 -7.463 8.397 -7.538 189 HA PRO 25 HA PRO 25 -4.937 2.146 -5.367 190 HB2 PRO 25 HB2 PRO 25 -6.775 0.835 -7.365 191 HB3 PRO 25 HB1 PRO 25 -6.330 0.321 -5.729 192 HG2 PRO 25 HG2 PRO 25 -8.717 1.409 -6.171 193 HG3 PRO 25 HG1 PRO 25 -7.800 1.835 -4.708 194 HD2 PRO 25 HD2 PRO 25 -8.137 3.420 -7.262 195 HD3 PRO 25 HD1 PRO 25 -8.175 3.977 -5.573 196 H GLU 26 HN GLU 26 -5.452 3.462 -8.579 197 HA GLU 26 HA GLU 26 -3.322 1.726 -9.682 198 HB2 GLU 26 HB2 GLU 26 -5.476 3.285 -11.172 199 HB3 GLU 26 HB1 GLU 26 -4.220 2.298 -11.920 200 HG2 GLU 26 HG2 GLU 26 -5.190 0.334 -10.552 201 HG3 GLU 26 HG1 GLU 26 -6.573 1.382 -10.245 202 H SER 27 HN SER 27 -3.287 4.386 -8.063 203 HA SER 27 HA SER 27 -1.765 6.172 -9.752 204 HB2 SER 27 HB2 SER 27 -2.143 6.083 -6.721 205 HB3 SER 27 HB1 SER 27 -1.238 7.342 -7.569 206 HG SER 27 HG SER 27 -3.085 8.036 -8.533 207 H HIS 28 HN HIS 28 0.339 6.027 -10.202 208 HA HIS 28 HA HIS 28 2.109 4.100 -8.895 209 HB2 HIS 28 HB2 HIS 28 2.061 4.556 -11.434 210 HB3 HIS 28 HB1 HIS 28 2.829 6.103 -11.089 211 HD2 HIS 28 HD2 HIS 28 3.716 2.462 -11.639 212 HE1 HIS 28 HE1 HIS 28 7.200 4.352 -10.209 213 HE2 HIS 28 HE2 HIS 28 6.293 2.421 -11.557 214 H ALA 29 HN ALA 29 3.239 4.743 -7.093 215 HA ALA 29 HA ALA 29 3.261 7.128 -5.818 216 HB1 ALA 29 HB1 ALA 29 5.193 6.318 -4.541 217 HB2 ALA 29 HB2 ALA 29 5.507 5.092 -5.775 218 HB3 ALA 29 HB3 ALA 29 4.026 5.023 -4.819 219 H ILE 30 HN ILE 30 5.506 6.219 -8.434 220 HA ILE 30 HA ILE 30 7.237 8.538 -7.816 221 HB ILE 30 HB ILE 30 7.729 6.125 -9.625 222 HG12 ILE 30 HG12 ILE 30 8.928 6.910 -6.925 223 HG13 ILE 30 HG11 ILE 30 7.861 5.544 -7.236 224 HG21 ILE 30 HG21 ILE 30 9.621 8.434 -9.042 225 HG22 ILE 30 HG22 ILE 30 8.832 8.102 -10.588 226 HG23 ILE 30 HG23 ILE 30 10.024 6.971 -9.948 227 HD11 ILE 30 HD11 ILE 30 10.694 5.875 -8.227 228 HD12 ILE 30 HD12 ILE 30 9.629 4.522 -8.618 229 HD13 ILE 30 HD13 ILE 30 10.128 4.797 -6.951 230 H ASP 31 HN ASP 31 5.800 6.931 -10.672 231 HA ASP 31 HA ASP 31 6.335 8.984 -12.534 232 HB2 ASP 31 HB2 ASP 31 5.975 6.664 -13.234 233 HB3 ASP 31 HB1 ASP 31 4.335 6.686 -12.606 234 H ASP 32 HN ASP 32 3.433 8.211 -10.655 235 HA ASP 32 HA ASP 32 1.817 10.235 -12.030 236 HB2 ASP 32 HB2 ASP 32 0.829 8.005 -11.730 237 HB3 ASP 32 HB1 ASP 32 1.091 8.077 -9.995 238 H LEU 33 HN LEU 33 2.400 9.303 -8.600 239 HA LEU 33 HA LEU 33 1.256 11.698 -7.558 240 HB2 LEU 33 HB2 LEU 33 2.902 9.545 -6.186 241 HB3 LEU 33 HB1 LEU 33 1.993 10.790 -5.347 242 HG LEU 33 HG LEU 33 0.776 8.588 -7.074 243 HD11 LEU 33 HD11 LEU 33 0.824 8.855 -4.046 244 HD12 LEU 33 HD12 LEU 33 1.710 7.671 -5.012 245 HD13 LEU 33 HD13 LEU 33 -0.049 7.624 -4.968 246 HD21 LEU 33 HD21 LEU 33 -0.598 10.707 -5.379 247 HD22 LEU 33 HD22 LEU 33 -1.402 9.355 -6.186 248 HD23 LEU 33 HD23 LEU 33 -0.603 10.599 -7.142 249 H GLY 34 HN GLY 34 4.430 10.998 -8.697 250 HA2 GLY 34 HA2 GLY 34 6.347 12.271 -8.825 251 HA3 GLY 34 HA1 GLY 34 5.453 13.606 -8.116 252 H ILE 35 HN ILE 35 5.876 10.489 -6.578 253 HA ILE 35 HA ILE 35 7.353 11.699 -4.315 254 HB ILE 35 HB ILE 35 5.841 9.044 -4.491 255 HG12 ILE 35 HG12 ILE 35 5.009 11.624 -3.096 256 HG13 ILE 35 HG11 ILE 35 4.349 11.048 -4.624 257 HG21 ILE 35 HG21 ILE 35 7.645 8.926 -2.818 258 HG22 ILE 35 HG22 ILE 35 6.070 8.935 -2.027 259 HG23 ILE 35 HG23 ILE 35 7.051 10.401 -2.049 260 HD11 ILE 35 HD11 ILE 35 2.860 10.594 -2.773 261 HD12 ILE 35 HD12 ILE 35 4.103 9.642 -1.961 262 HD13 ILE 35 HD13 ILE 35 3.424 9.091 -3.500 263 H ASP 36 HN ASP 36 9.521 11.240 -4.195 264 HA ASP 36 HA ASP 36 10.811 9.466 -5.994 265 HB2 ASP 36 HB2 ASP 36 11.818 11.573 -4.905 266 HB3 ASP 36 HB1 ASP 36 12.017 10.623 -3.437 267 H SER 37 HN SER 37 12.201 7.658 -5.364 268 HA SER 37 HA SER 37 10.775 5.629 -4.017 269 HB2 SER 37 HB2 SER 37 12.930 4.308 -4.421 270 HB3 SER 37 HB1 SER 37 12.184 5.015 -5.855 271 HG SER 37 HG SER 37 14.372 6.108 -4.390 272 H LEU 38 HN LEU 38 13.115 7.965 -2.850 273 HA LEU 38 HA LEU 38 14.057 6.476 -0.580 274 HB2 LEU 38 HB2 LEU 38 15.168 8.489 0.145 275 HB3 LEU 38 HB1 LEU 38 15.372 8.323 -1.581 276 HG LEU 38 HG LEU 38 13.319 10.058 -1.655 277 HD11 LEU 38 HD11 LEU 38 14.554 10.755 1.026 278 HD12 LEU 38 HD12 LEU 38 12.915 10.163 0.749 279 HD13 LEU 38 HD13 LEU 38 13.394 11.736 0.122 280 HD21 LEU 38 HD21 LEU 38 14.930 11.917 -1.843 281 HD22 LEU 38 HD22 LEU 38 15.486 10.473 -2.684 282 HD23 LEU 38 HD23 LEU 38 16.186 10.904 -1.122 283 H ASP 39 HN ASP 39 11.492 8.850 -1.155 284 HA ASP 39 HA ASP 39 10.522 9.071 1.519 285 HB2 ASP 39 HB2 ASP 39 8.996 9.450 -1.101 286 HB3 ASP 39 HB1 ASP 39 8.501 10.044 0.488 287 H PHE 40 HN PHE 40 9.892 6.929 -1.199 288 HA PHE 40 HA PHE 40 7.623 5.578 -0.191 289 HB2 PHE 40 HB2 PHE 40 8.468 5.630 -2.607 290 HB3 PHE 40 HB1 PHE 40 9.672 4.441 -2.131 291 HD1 PHE 40 HD1 PHE 40 6.023 5.051 -2.482 292 HD2 PHE 40 HD2 PHE 40 9.080 2.110 -1.951 293 HE1 PHE 40 HE1 PHE 40 4.405 3.271 -2.963 294 HE2 PHE 40 HE2 PHE 40 7.450 0.336 -2.439 295 HZ PHE 40 HZ PHE 40 5.115 0.913 -2.952 296 H LEU 41 HN LEU 41 11.100 5.113 0.354 297 HA LEU 41 HA LEU 41 11.065 2.622 1.719 298 HB2 LEU 41 HB2 LEU 41 12.865 5.031 2.214 299 HB3 LEU 41 HB1 LEU 41 13.160 3.420 2.851 300 HG LEU 41 HG LEU 41 13.156 4.161 -0.103 301 HD11 LEU 41 HD11 LEU 41 15.507 3.596 1.735 302 HD12 LEU 41 HD12 LEU 41 15.064 5.159 1.040 303 HD13 LEU 41 HD13 LEU 41 15.588 3.850 -0.013 304 HD21 LEU 41 HD21 LEU 41 14.050 1.902 -0.483 305 HD22 LEU 41 HD22 LEU 41 12.453 1.839 0.252 306 HD23 LEU 41 HD23 LEU 41 13.886 1.531 1.236 307 H ASP 42 HN ASP 42 10.663 5.961 2.873 308 HA ASP 42 HA ASP 42 10.265 5.424 5.651 309 HB2 ASP 42 HB2 ASP 42 9.370 7.822 3.968 310 HB3 ASP 42 HB1 ASP 42 9.293 7.763 5.728 311 H ILE 43 HN ILE 43 8.041 5.776 2.898 312 HA ILE 43 HA ILE 43 5.562 5.614 4.251 313 HB ILE 43 HB ILE 43 6.326 4.784 1.412 314 HG12 ILE 43 HG12 ILE 43 4.847 7.276 2.371 315 HG13 ILE 43 HG11 ILE 43 6.567 7.225 2.011 316 HG21 ILE 43 HG21 ILE 43 3.913 4.806 0.832 317 HG22 ILE 43 HG22 ILE 43 3.504 5.042 2.531 318 HG23 ILE 43 HG23 ILE 43 4.289 3.550 2.012 319 HD11 ILE 43 HD11 ILE 43 6.075 6.734 -0.327 320 HD12 ILE 43 HD12 ILE 43 5.286 8.220 0.201 321 HD13 ILE 43 HD13 ILE 43 4.346 6.740 0.027 322 H ALA 44 HN ALA 44 7.706 3.137 2.894 323 HA ALA 44 HA ALA 44 6.023 0.880 3.356 324 HB1 ALA 44 HB1 ALA 44 9.024 1.014 2.905 325 HB2 ALA 44 HB2 ALA 44 7.792 0.909 1.644 326 HB3 ALA 44 HB3 ALA 44 8.016 -0.435 2.768 327 H PHE 45 HN PHE 45 8.574 2.447 5.194 328 HA PHE 45 HA PHE 45 8.808 0.561 7.320 329 HB2 PHE 45 HB2 PHE 45 10.547 2.233 6.688 330 HB3 PHE 45 HB1 PHE 45 9.493 3.538 7.209 331 HD1 PHE 45 HD1 PHE 45 10.856 0.320 8.630 332 HD2 PHE 45 HD2 PHE 45 10.037 4.470 9.283 333 HE1 PHE 45 HE1 PHE 45 11.858 0.175 10.867 334 HE2 PHE 45 HE2 PHE 45 11.038 4.311 11.522 335 HZ PHE 45 HZ PHE 45 11.952 2.165 12.314 336 H ALA 46 HN ALA 46 6.731 3.354 6.740 337 HA ALA 46 HA ALA 46 5.495 3.426 9.334 338 HB1 ALA 46 HB1 ALA 46 5.495 5.388 7.855 339 HB2 ALA 46 HB2 ALA 46 3.843 4.909 8.258 340 HB3 ALA 46 HB3 ALA 46 4.517 4.512 6.674 341 H ILE 47 HN ILE 47 4.807 1.823 6.262 342 HA ILE 47 HA ILE 47 2.348 0.540 6.946 343 HB ILE 47 HB ILE 47 4.528 -0.196 4.937 344 HG12 ILE 47 HG12 ILE 47 1.801 1.062 4.392 345 HG13 ILE 47 HG11 ILE 47 3.285 1.990 4.571 346 HG21 ILE 47 HG21 ILE 47 2.904 -1.689 3.841 347 HG22 ILE 47 HG22 ILE 47 1.738 -1.386 5.125 348 HG23 ILE 47 HG23 ILE 47 3.246 -2.225 5.486 349 HD11 ILE 47 HD11 ILE 47 2.781 -0.091 2.443 350 HD12 ILE 47 HD12 ILE 47 4.228 0.908 2.611 351 HD13 ILE 47 HD13 ILE 47 2.677 1.656 2.237 352 H ASP 48 HN ASP 48 5.741 -0.328 7.260 353 HA ASP 48 HA ASP 48 5.671 -2.995 8.047 354 HB2 ASP 48 HB2 ASP 48 7.696 -1.562 7.466 355 HB3 ASP 48 HB1 ASP 48 7.579 -0.834 9.057 356 H LYS 49 HN LYS 49 5.491 -0.031 9.969 357 HA LYS 49 HA LYS 49 5.073 -1.274 12.513 358 HB2 LYS 49 HB2 LYS 49 4.541 1.573 11.584 359 HB3 LYS 49 HB1 LYS 49 4.431 1.037 13.267 360 HG2 LYS 49 HG2 LYS 49 6.825 0.415 13.216 361 HG3 LYS 49 HG1 LYS 49 6.931 0.968 11.536 362 HD2 LYS 49 HD2 LYS 49 6.364 3.263 12.261 363 HD3 LYS 49 HD1 LYS 49 6.220 2.708 13.934 364 HE2 LYS 49 HE2 LYS 49 8.617 2.134 13.959 365 HE3 LYS 49 HE1 LYS 49 8.765 2.622 12.267 366 HZ1 LYS 49 HZ1 LYS 49 8.199 4.869 12.887 367 HZ2 LYS 49 HZ2 LYS 49 9.522 4.341 13.804 368 HZ3 LYS 49 HZ3 LYS 49 7.981 4.412 14.503 369 H ALA 50 HN ALA 50 2.860 0.397 10.270 370 HA ALA 50 HA ALA 50 0.522 0.370 11.707 371 HB1 ALA 50 HB1 ALA 50 -0.614 0.676 9.533 372 HB2 ALA 50 HB2 ALA 50 0.847 0.143 8.692 373 HB3 ALA 50 HB3 ALA 50 0.862 1.638 9.631 374 H PHE 51 HN PHE 51 1.428 -1.988 9.203 375 HA PHE 51 HA PHE 51 -0.789 -3.761 9.854 376 HB2 PHE 51 HB2 PHE 51 1.309 -3.860 7.653 377 HB3 PHE 51 HB1 PHE 51 0.010 -5.038 7.830 378 HD1 PHE 51 HD2 PHE 51 0.796 -1.527 6.930 379 HD2 PHE 51 HD1 PHE 51 -2.302 -4.454 7.277 380 HE1 PHE 51 HE2 PHE 51 -0.723 -0.079 5.650 381 HE2 PHE 51 HE1 PHE 51 -3.813 -2.994 5.999 382 HZ PHE 51 HZ PHE 51 -3.025 -0.811 5.184 383 H GLY 52 HN GLY 52 2.435 -3.431 10.862 384 HA2 GLY 52 HA2 GLY 52 3.775 -4.717 12.213 385 HA3 GLY 52 HA1 GLY 52 2.403 -5.792 12.458 386 H ILE 53 HN ILE 53 3.830 -4.997 9.366 387 HA ILE 53 HA ILE 53 4.608 -7.831 8.912 388 HB ILE 53 HB ILE 53 4.373 -7.361 6.473 389 HG12 ILE 53 HG12 ILE 53 3.100 -4.693 7.251 390 HG13 ILE 53 HG11 ILE 53 4.750 -4.838 6.662 391 HG21 ILE 53 HG21 ILE 53 1.907 -7.320 6.365 392 HG22 ILE 53 HG22 ILE 53 1.841 -6.796 8.051 393 HG23 ILE 53 HG23 ILE 53 2.490 -8.388 7.646 394 HD11 ILE 53 HD11 ILE 53 2.275 -5.625 5.152 395 HD12 ILE 53 HD12 ILE 53 3.933 -5.731 4.559 396 HD13 ILE 53 HD13 ILE 53 3.222 -4.159 4.919 397 H LYS 54 HN LYS 54 6.454 -8.129 7.456 398 HA LYS 54 HA LYS 54 8.472 -5.964 7.608 399 HB2 LYS 54 HB2 LYS 54 8.962 -8.972 7.291 400 HB3 LYS 54 HB1 LYS 54 10.196 -7.724 7.431 401 HG2 LYS 54 HG2 LYS 54 8.249 -8.607 9.587 402 HG3 LYS 54 HG1 LYS 54 9.993 -8.884 9.555 403 HD2 LYS 54 HD2 LYS 54 8.617 -6.168 9.797 404 HD3 LYS 54 HD1 LYS 54 9.375 -7.054 11.121 405 HE2 LYS 54 HE2 LYS 54 11.573 -6.763 10.129 406 HE3 LYS 54 HE1 LYS 54 10.873 -6.078 8.660 407 HZ1 LYS 54 HZ1 LYS 54 11.753 -4.374 10.088 408 HZ2 LYS 54 HZ2 LYS 54 10.768 -4.873 11.361 409 HZ3 LYS 54 HZ3 LYS 54 10.072 -4.213 9.969 410 H LEU 55 HN LEU 55 7.918 -4.871 5.736 411 HA LEU 55 HA LEU 55 7.645 -6.132 3.168 412 HB2 LEU 55 HB2 LEU 55 8.171 -3.230 3.932 413 HB3 LEU 55 HB1 LEU 55 8.027 -3.760 2.263 414 HG LEU 55 HG LEU 55 5.821 -3.891 4.363 415 HD11 LEU 55 HD11 LEU 55 4.713 -2.168 2.984 416 HD12 LEU 55 HD12 LEU 55 6.138 -2.082 1.943 417 HD13 LEU 55 HD13 LEU 55 6.249 -1.606 3.640 418 HD21 LEU 55 HD21 LEU 55 4.338 -4.610 2.538 419 HD22 LEU 55 HD22 LEU 55 5.637 -5.769 2.784 420 HD23 LEU 55 HD23 LEU 55 5.705 -4.654 1.421 421 HA PRO 56 HA PRO 56 12.192 -6.315 2.474 422 HB2 PRO 56 HB2 PRO 56 11.565 -8.036 0.165 423 HB3 PRO 56 HB1 PRO 56 12.429 -8.454 1.648 424 HG2 PRO 56 HG2 PRO 56 9.963 -9.449 1.065 425 HG3 PRO 56 HG1 PRO 56 10.509 -9.164 2.731 426 HD2 PRO 56 HD2 PRO 56 8.757 -7.406 0.991 427 HD3 PRO 56 HD1 PRO 56 8.523 -7.903 2.688 428 H LEU 57 HN LEU 57 11.216 -4.037 1.939 429 HA LEU 57 HA LEU 57 10.474 -3.343 -0.713 430 HB2 LEU 57 HB2 LEU 57 10.179 -2.089 1.653 431 HB3 LEU 57 HB1 LEU 57 11.661 -1.293 1.178 432 HG LEU 57 HG LEU 57 9.671 0.070 0.668 433 HD11 LEU 57 HD11 LEU 57 11.039 -0.825 -1.871 434 HD12 LEU 57 HD12 LEU 57 11.615 0.405 -0.746 435 HD13 LEU 57 HD13 LEU 57 10.125 0.672 -1.647 436 HD21 LEU 57 HD21 LEU 57 8.016 -0.594 -0.986 437 HD22 LEU 57 HD22 LEU 57 8.073 -1.769 0.324 438 HD23 LEU 57 HD23 LEU 57 8.832 -2.143 -1.228 439 H GLU 58 HN GLU 58 13.528 -3.378 1.046 440 HA GLU 58 HA GLU 58 15.228 -2.080 -0.737 441 HB2 GLU 58 HB2 GLU 58 17.071 -3.305 0.369 442 HB3 GLU 58 HB1 GLU 58 15.911 -2.682 1.534 443 HG2 GLU 58 HG2 GLU 58 14.888 -4.959 1.682 444 HG3 GLU 58 HG1 GLU 58 16.139 -5.555 0.594 445 H LYS 59 HN LYS 59 14.148 -5.477 -0.776 446 HA LYS 59 HA LYS 59 15.901 -6.219 -2.959 447 HB2 LYS 59 HB2 LYS 59 15.175 -8.415 -2.754 448 HB3 LYS 59 HB1 LYS 59 14.964 -7.833 -1.110 449 HG2 LYS 59 HG2 LYS 59 12.558 -7.571 -1.501 450 HG3 LYS 59 HG1 LYS 59 12.759 -8.063 -3.177 451 HD2 LYS 59 HD2 LYS 59 13.350 -9.829 -0.769 452 HD3 LYS 59 HD1 LYS 59 11.857 -9.876 -1.706 453 HE2 LYS 59 HE2 LYS 59 14.635 -10.493 -2.773 454 HE3 LYS 59 HE1 LYS 59 13.405 -11.685 -2.349 455 HZ1 LYS 59 HZ1 LYS 59 13.486 -11.250 -4.735 456 HZ2 LYS 59 HZ2 LYS 59 13.117 -9.621 -4.474 457 HZ3 LYS 59 HZ3 LYS 59 11.987 -10.820 -4.088 458 H TRP 60 HN TRP 60 12.573 -5.192 -2.545 459 HA TRP 60 HA TRP 60 11.583 -5.860 -5.127 460 HB2 TRP 60 HB2 TRP 60 10.642 -3.844 -3.042 461 HB3 TRP 60 HB1 TRP 60 9.760 -4.164 -4.529 462 HD1 TRP 60 HD1 TRP 60 10.810 -7.472 -3.825 463 HE1 TRP 60 HE1 TRP 60 9.135 -8.780 -2.415 464 HE3 TRP 60 HE3 TRP 60 8.035 -3.578 -2.053 465 HZ2 TRP 60 HZ2 TRP 60 6.933 -8.276 -0.775 466 HZ3 TRP 60 HZ3 TRP 60 6.139 -4.080 -0.566 467 HH2 TRP 60 HH2 TRP 60 5.602 -6.387 0.056 468 H THR 61 HN THR 61 12.919 -2.880 -3.759 469 HA THR 61 HA THR 61 12.789 -1.229 -6.054 470 HB THR 61 HB THR 61 14.709 -1.101 -3.679 471 HG1 THR 61 HG1 THR 61 12.677 -0.848 -2.900 472 HG21 THR 61 HG21 THR 61 13.967 1.085 -5.660 473 HG22 THR 61 HG22 THR 61 15.541 0.298 -5.540 474 HG23 THR 61 HG23 THR 61 14.954 1.302 -4.213 475 H GLN 62 HN GLN 62 15.194 -3.522 -4.850 476 HA GLN 62 HA GLN 62 17.276 -2.947 -6.687 477 HB2 GLN 62 HB2 GLN 62 17.671 -4.148 -4.569 478 HB3 GLN 62 HB1 GLN 62 16.675 -5.490 -5.116 479 HG2 GLN 62 HG2 GLN 62 19.060 -6.024 -5.300 480 HG3 GLN 62 HG1 GLN 62 18.286 -6.007 -6.882 481 HE21 GLN 62 HE21 GLN 62 19.345 -3.140 -5.068 482 HE22 GLN 62 HE22 GLN 62 20.585 -2.684 -6.174 483 H GLU 63 HN GLU 63 14.582 -5.285 -6.737 484 HA GLU 63 HA GLU 63 15.234 -6.680 -9.104 485 HB2 GLU 63 HB2 GLU 63 12.545 -6.192 -7.748 486 HB3 GLU 63 HB1 GLU 63 12.747 -7.273 -9.130 487 HG2 GLU 63 HG2 GLU 63 14.175 -8.731 -7.861 488 HG3 GLU 63 HG1 GLU 63 14.230 -7.605 -6.504 489 H VAL 64 HN VAL 64 13.211 -3.827 -8.532 490 HA VAL 64 HA VAL 64 12.317 -3.278 -11.117 491 HB VAL 64 HB VAL 64 13.056 -1.342 -8.879 492 HG11 VAL 64 HG11 VAL 64 11.638 0.343 -10.067 493 HG12 VAL 64 HG12 VAL 64 11.509 -0.761 -11.441 494 HG13 VAL 64 HG13 VAL 64 13.079 -0.095 -10.988 495 HG21 VAL 64 HG21 VAL 64 10.621 -1.291 -8.429 496 HG22 VAL 64 HG22 VAL 64 11.252 -2.934 -8.309 497 HG23 VAL 64 HG23 VAL 64 10.348 -2.442 -9.740 498 H ASN 65 HN ASN 65 15.201 -1.977 -9.483 499 HA ASN 65 HA ASN 65 16.204 -0.512 -11.674 500 HB2 ASN 65 HB2 ASN 65 17.624 -1.444 -9.136 501 HB3 ASN 65 HB1 ASN 65 18.242 -0.215 -10.241 502 HD21 ASN 65 HD21 ASN 65 17.571 0.048 -7.419 503 HD22 ASN 65 HD22 ASN 65 16.385 1.298 -7.318 504 H ASP 66 HN ASP 66 16.731 -3.852 -10.719 505 HA ASP 66 HA ASP 66 19.019 -4.208 -12.523 506 HB2 ASP 66 HB2 ASP 66 18.915 -5.153 -10.161 507 HB3 ASP 66 HB1 ASP 66 17.655 -6.247 -10.706 508 H GLY 67 HN GLY 67 15.870 -3.955 -13.144 509 HA2 GLY 67 HA2 GLY 67 14.547 -4.541 -14.899 510 HA3 GLY 67 HA1 GLY 67 15.935 -5.337 -15.614 511 H LYS 68 HN LYS 68 15.212 -6.605 -12.541 512 HA LYS 68 HA LYS 68 14.214 -9.117 -13.507 513 HB2 LYS 68 HB2 LYS 68 14.174 -7.995 -10.673 514 HB3 LYS 68 HB1 LYS 68 13.940 -9.680 -11.114 515 HG2 LYS 68 HG2 LYS 68 16.524 -8.135 -11.534 516 HG3 LYS 68 HG1 LYS 68 16.181 -9.141 -10.134 517 HD2 LYS 68 HD2 LYS 68 17.445 -10.592 -11.438 518 HD3 LYS 68 HD1 LYS 68 15.813 -11.050 -11.916 519 HE2 LYS 68 HE2 LYS 68 16.048 -9.620 -13.948 520 HE3 LYS 68 HE1 LYS 68 17.701 -9.230 -13.464 521 HZ1 LYS 68 HZ1 LYS 68 17.658 -10.978 -15.087 522 HZ2 LYS 68 HZ2 LYS 68 16.642 -11.918 -14.109 523 HZ3 LYS 68 HZ3 LYS 68 18.226 -11.580 -13.616 524 H ALA 69 HN ALA 69 12.830 -6.199 -12.230 525 HA ALA 69 HA ALA 69 10.067 -7.066 -12.770 526 HB1 ALA 69 HB1 ALA 69 10.482 -7.486 -10.365 527 HB2 ALA 69 HB2 ALA 69 9.341 -6.160 -10.584 528 HB3 ALA 69 HB3 ALA 69 11.022 -5.819 -10.152 529 H THR 70 HN THR 70 8.617 -5.174 -12.896 530 HA THR 70 HA THR 70 9.949 -2.650 -13.646 531 HB THR 70 HB THR 70 7.688 -1.988 -14.511 532 HG1 THR 70 HG1 THR 70 5.982 -3.186 -14.137 533 HG21 THR 70 HG21 THR 70 8.652 -4.665 -15.598 534 HG22 THR 70 HG22 THR 70 9.288 -3.080 -16.048 535 HG23 THR 70 HG23 THR 70 7.625 -3.501 -16.444 536 H THR 71 HN THR 71 9.033 -0.655 -12.880 537 HA THR 71 HA THR 71 9.148 -0.502 -10.100 538 HB THR 71 HB THR 71 7.897 1.732 -11.727 539 HG1 THR 71 HG1 THR 71 9.464 1.434 -13.120 540 HG21 THR 71 HG21 THR 71 9.374 3.147 -10.358 541 HG22 THR 71 HG22 THR 71 10.067 1.711 -9.598 542 HG23 THR 71 HG23 THR 71 8.368 2.118 -9.335 543 H GLU 72 HN GLU 72 6.420 -0.264 -12.299 544 HA GLU 72 HA GLU 72 4.281 0.373 -10.779 545 HB2 GLU 72 HB2 GLU 72 4.372 -1.696 -13.022 546 HB3 GLU 72 HB1 GLU 72 2.885 -1.026 -12.369 547 HG2 GLU 72 HG2 GLU 72 3.345 0.122 -14.411 548 HG3 GLU 72 HG1 GLU 72 3.649 1.252 -13.097 549 H GLN 73 HN GLN 73 5.589 -2.890 -11.124 550 HA GLN 73 HA GLN 73 3.576 -4.377 -9.914 551 HB2 GLN 73 HB2 GLN 73 6.558 -4.925 -10.093 552 HB3 GLN 73 HB1 GLN 73 5.387 -6.126 -9.545 553 HG2 GLN 73 HG2 GLN 73 4.264 -6.062 -11.721 554 HG3 GLN 73 HG1 GLN 73 5.354 -4.792 -12.275 555 HE21 GLN 73 HE21 GLN 73 4.847 -7.502 -13.352 556 HE22 GLN 73 HE22 GLN 73 6.393 -8.268 -13.423 557 H TYR 74 HN TYR 74 6.073 -2.490 -8.297 558 HA TYR 74 HA TYR 74 5.054 -3.430 -5.669 559 HB2 TYR 74 HB2 TYR 74 7.837 -2.346 -6.298 560 HB3 TYR 74 HB1 TYR 74 7.281 -2.945 -4.737 561 HD1 TYR 74 HD2 TYR 74 6.147 -5.459 -4.983 562 HD2 TYR 74 HD1 TYR 74 9.248 -3.847 -7.453 563 HE1 TYR 74 HE2 TYR 74 6.880 -7.734 -5.546 564 HE2 TYR 74 HE1 TYR 74 9.975 -6.124 -8.020 565 HH TYR 74 HH TYR 74 9.862 -8.386 -7.015 566 H PHE 75 HN PHE 75 5.420 -0.599 -7.720 567 HA PHE 75 HA PHE 75 5.287 1.240 -5.405 568 HB2 PHE 75 HB2 PHE 75 6.462 1.620 -8.196 569 HB3 PHE 75 HB1 PHE 75 6.209 2.951 -7.078 570 HD1 PHE 75 HD1 PHE 75 7.990 -0.376 -7.264 571 HD2 PHE 75 HD2 PHE 75 7.974 3.587 -5.649 572 HE1 PHE 75 HE1 PHE 75 10.219 -0.754 -6.297 573 HE2 PHE 75 HE2 PHE 75 10.204 3.195 -4.685 574 HZ PHE 75 HZ PHE 75 11.329 1.025 -5.002 575 H VAL 76 HN VAL 76 3.137 -0.158 -7.343 576 HA VAL 76 HA VAL 76 1.464 2.288 -7.591 577 HB VAL 76 HB VAL 76 1.028 -0.450 -8.875 578 HG11 VAL 76 HG11 VAL 76 -0.734 2.023 -9.072 579 HG12 VAL 76 HG12 VAL 76 -1.146 0.522 -8.238 580 HG13 VAL 76 HG13 VAL 76 -0.949 0.529 -9.993 581 HG21 VAL 76 HG21 VAL 76 1.326 0.705 -11.019 582 HG22 VAL 76 HG22 VAL 76 2.755 0.908 -10.006 583 HG23 VAL 76 HG23 VAL 76 1.606 2.234 -10.180 584 H LEU 77 HN LEU 77 -0.403 2.405 -6.426 585 HA LEU 77 HA LEU 77 -0.343 1.461 -3.834 586 HB2 LEU 77 HB2 LEU 77 -2.353 2.929 -5.501 587 HB3 LEU 77 HB1 LEU 77 -2.938 2.261 -3.993 588 HG LEU 77 HG LEU 77 -2.291 4.601 -3.751 589 HD11 LEU 77 HD11 LEU 77 -2.183 3.127 -1.818 590 HD12 LEU 77 HD12 LEU 77 -0.966 4.395 -1.730 591 HD13 LEU 77 HD13 LEU 77 -0.491 2.752 -2.171 592 HD21 LEU 77 HD21 LEU 77 -0.520 4.737 -5.440 593 HD22 LEU 77 HD22 LEU 77 0.544 3.756 -4.429 594 HD23 LEU 77 HD23 LEU 77 0.030 5.356 -3.884 595 H LYS 78 HN LYS 78 -2.190 0.085 -6.534 596 HA LYS 78 HA LYS 78 -3.836 -1.657 -4.937 597 HB2 LYS 78 HB2 LYS 78 -4.425 -2.747 -7.126 598 HB3 LYS 78 HB1 LYS 78 -4.616 -0.995 -7.161 599 HG2 LYS 78 HG2 LYS 78 -2.460 -0.774 -8.346 600 HG3 LYS 78 HG1 LYS 78 -2.251 -2.525 -8.302 601 HD2 LYS 78 HD2 LYS 78 -4.245 -2.799 -9.738 602 HD3 LYS 78 HD1 LYS 78 -4.475 -1.044 -9.766 603 HE2 LYS 78 HE2 LYS 78 -2.286 -0.783 -10.903 604 HE3 LYS 78 HE1 LYS 78 -2.047 -2.533 -10.842 605 HZ1 LYS 78 HZ1 LYS 78 -4.216 -1.129 -12.302 606 HZ2 LYS 78 HZ2 LYS 78 -3.997 -2.806 -12.230 607 HZ3 LYS 78 HZ3 LYS 78 -2.842 -1.834 -12.994 608 H ASN 79 HN ASN 79 -0.808 -2.007 -6.690 609 HA ASN 79 HA ASN 79 -0.522 -4.844 -6.396 610 HB2 ASN 79 HB2 ASN 79 1.538 -2.720 -7.167 611 HB3 ASN 79 HB1 ASN 79 1.741 -4.460 -7.361 612 HD21 ASN 79 HD21 ASN 79 1.684 -2.222 -9.325 613 HD22 ASN 79 HD22 ASN 79 0.518 -2.689 -10.505 614 H LEU 80 HN LEU 80 1.000 -2.014 -4.920 615 HA LEU 80 HA LEU 80 2.668 -3.189 -3.039 616 HB2 LEU 80 HB2 LEU 80 2.745 -0.776 -3.594 617 HB3 LEU 80 HB1 LEU 80 1.153 -0.553 -2.892 618 HG LEU 80 HG LEU 80 2.097 -1.179 -0.643 619 HD11 LEU 80 HD11 LEU 80 4.520 -1.180 -0.275 620 HD12 LEU 80 HD12 LEU 80 4.793 -1.102 -2.017 621 HD13 LEU 80 HD13 LEU 80 4.007 -2.517 -1.306 622 HD21 LEU 80 HD21 LEU 80 1.775 1.165 -1.211 623 HD22 LEU 80 HD22 LEU 80 3.378 1.236 -1.943 624 HD23 LEU 80 HD23 LEU 80 3.211 0.962 -0.208 625 H ALA 81 HN ALA 81 -0.746 -2.132 -2.747 626 HA ALA 81 HA ALA 81 -1.137 -2.800 -0.014 627 HB1 ALA 81 HB1 ALA 81 -3.227 -2.631 -2.215 628 HB2 ALA 81 HB2 ALA 81 -2.663 -1.283 -1.227 629 HB3 ALA 81 HB3 ALA 81 -3.553 -2.611 -0.475 630 H ALA 82 HN ALA 82 -1.503 -4.640 -3.006 631 HA ALA 82 HA ALA 82 -2.685 -6.966 -1.876 632 HB1 ALA 82 HB1 ALA 82 -2.033 -8.076 -3.984 633 HB2 ALA 82 HB2 ALA 82 -1.038 -6.678 -4.415 634 HB3 ALA 82 HB3 ALA 82 -2.792 -6.512 -4.287 635 H ARG 83 HN ARG 83 0.734 -6.077 -2.591 636 HA ARG 83 HA ARG 83 2.029 -8.414 -1.767 637 HB2 ARG 83 HB2 ARG 83 3.092 -5.586 -1.330 638 HB3 ARG 83 HB1 ARG 83 4.044 -7.062 -1.347 639 HG2 ARG 83 HG2 ARG 83 2.737 -5.664 -3.687 640 HG3 ARG 83 HG1 ARG 83 4.457 -5.916 -3.390 641 HD2 ARG 83 HD2 ARG 83 2.394 -8.023 -4.097 642 HD3 ARG 83 HD1 ARG 83 3.685 -7.412 -5.137 643 HE ARG 83 HE ARG 83 4.671 -8.593 -2.706 644 HH11 ARG 83 HH11 ARG 83 3.665 -9.294 -6.000 645 HH12 ARG 83 HH12 ARG 83 4.387 -10.866 -6.012 646 HH21 ARG 83 HH21 ARG 83 5.572 -10.673 -2.722 647 HH22 ARG 83 HH22 ARG 83 5.458 -11.654 -4.146 648 H ILE 84 HN ILE 84 1.019 -5.602 0.066 649 HA ILE 84 HA ILE 84 2.115 -6.191 2.603 650 HB ILE 84 HB ILE 84 -0.258 -4.493 1.716 651 HG12 ILE 84 HG12 ILE 84 2.500 -3.569 2.633 652 HG13 ILE 84 HG11 ILE 84 2.088 -3.863 0.946 653 HG21 ILE 84 HG21 ILE 84 0.960 -4.519 4.500 654 HG22 ILE 84 HG22 ILE 84 -0.648 -5.081 4.065 655 HG23 ILE 84 HG23 ILE 84 -0.242 -3.373 3.918 656 HD11 ILE 84 HD11 ILE 84 0.403 -2.123 1.032 657 HD12 ILE 84 HD12 ILE 84 1.980 -1.508 1.521 658 HD13 ILE 84 HD13 ILE 84 0.753 -1.846 2.739 659 H ASP 85 HN ASP 85 -1.068 -6.741 1.150 660 HA ASP 85 HA ASP 85 -2.399 -7.738 3.453 661 HB2 ASP 85 HB2 ASP 85 -3.463 -6.651 1.406 662 HB3 ASP 85 HB1 ASP 85 -3.165 -8.141 0.518 663 H GLU 86 HN GLU 86 -0.653 -9.271 0.787 664 HA GLU 86 HA GLU 86 -1.116 -12.005 1.345 665 HB2 GLU 86 HB2 GLU 86 1.350 -10.656 0.154 666 HB3 GLU 86 HB1 GLU 86 1.107 -12.401 0.184 667 HG2 GLU 86 HG2 GLU 86 -0.855 -12.175 -1.263 668 HG3 GLU 86 HG1 GLU 86 -0.686 -10.424 -1.256 669 H LEU 87 HN LEU 87 1.410 -9.762 2.478 670 HA LEU 87 HA LEU 87 2.788 -11.650 4.116 671 HB2 LEU 87 HB2 LEU 87 2.858 -8.605 4.218 672 HB3 LEU 87 HB1 LEU 87 3.993 -9.670 5.032 673 HG LEU 87 HG LEU 87 3.684 -9.322 2.024 674 HD11 LEU 87 HD11 LEU 87 5.981 -8.573 3.849 675 HD12 LEU 87 HD12 LEU 87 4.837 -7.465 3.088 676 HD13 LEU 87 HD13 LEU 87 5.946 -8.400 2.090 677 HD21 LEU 87 HD21 LEU 87 5.589 -10.876 1.769 678 HD22 LEU 87 HD22 LEU 87 4.184 -11.664 2.479 679 HD23 LEU 87 HD23 LEU 87 5.547 -11.211 3.505 680 H VAL 88 HN VAL 88 0.084 -9.456 4.738 681 HA VAL 88 HA VAL 88 0.036 -9.664 7.597 682 HB VAL 88 HB VAL 88 -2.273 -8.978 5.698 683 HG11 VAL 88 HG11 VAL 88 -3.352 -7.958 7.698 684 HG12 VAL 88 HG12 VAL 88 -2.031 -8.558 8.705 685 HG13 VAL 88 HG13 VAL 88 -3.110 -9.695 7.898 686 HG21 VAL 88 HG21 VAL 88 -0.449 -7.086 7.250 687 HG22 VAL 88 HG22 VAL 88 -1.811 -6.606 6.233 688 HG23 VAL 88 HG23 VAL 88 -0.394 -7.361 5.510 689 H ALA 89 HN ALA 89 -1.507 -11.394 4.945 690 HA ALA 89 HA ALA 89 -3.101 -13.185 6.473 691 HB1 ALA 89 HB1 ALA 89 -3.404 -14.404 4.356 692 HB2 ALA 89 HB2 ALA 89 -2.092 -13.476 3.619 693 HB3 ALA 89 HB3 ALA 89 -3.583 -12.665 4.108 694 H ALA 90 HN ALA 90 0.127 -13.412 5.049 695 HA ALA 90 HA ALA 90 0.651 -16.135 5.512 696 HB1 ALA 90 HB1 ALA 90 1.915 -14.780 3.887 697 HB2 ALA 90 HB2 ALA 90 2.999 -15.583 5.024 698 HB3 ALA 90 HB3 ALA 90 2.645 -13.861 5.207 699 H LYS 91 HN LYS 91 1.188 -13.263 7.519 700 HA LYS 91 HA LYS 91 2.753 -14.712 9.537 701 HB2 LYS 91 HB2 LYS 91 3.065 -12.565 10.597 702 HB3 LYS 91 HB1 LYS 91 3.280 -12.323 8.863 703 HG2 LYS 91 HG2 LYS 91 1.013 -11.380 8.709 704 HG3 LYS 91 HG1 LYS 91 0.768 -11.661 10.437 705 HD2 LYS 91 HD2 LYS 91 2.748 -10.119 10.855 706 HD3 LYS 91 HD1 LYS 91 2.716 -9.726 9.128 707 HE2 LYS 91 HE2 LYS 91 1.505 -8.042 10.449 708 HE3 LYS 91 HE1 LYS 91 0.402 -8.891 9.365 709 HZ1 LYS 91 HZ1 LYS 91 -0.384 -10.205 11.191 710 HZ2 LYS 91 HZ2 LYS 91 -0.474 -8.575 11.628 711 HZ3 LYS 91 HZ3 LYS 91 0.767 -9.543 12.239 712 H GLY 92 HN GLY 92 -0.512 -13.718 8.910 713 HA2 GLY 92 HA2 GLY 92 -1.462 -13.649 11.640 714 HA3 GLY 92 HA1 GLY 92 -2.423 -13.515 10.172 715 H ALA 93 HN ALA 93 -1.594 -15.873 8.910 716 HA ALA 93 HA ALA 93 -2.077 -18.057 8.606 717 HB1 ALA 93 HB1 ALA 93 -0.752 -18.535 10.628 718 HB2 ALA 93 HB2 ALA 93 -2.107 -19.656 10.470 719 HB3 ALA 93 HB3 ALA 93 -2.193 -18.322 11.627 720 H LEU 94 HN LEU 94 -4.079 -16.990 11.350 721 HA LEU 94 HA LEU 94 -6.582 -17.910 10.294 722 HB2 LEU 94 HB2 LEU 94 -5.968 -15.894 12.529 723 HB3 LEU 94 HB1 LEU 94 -7.571 -16.492 12.147 724 HG LEU 94 HG LEU 94 -6.833 -17.635 14.112 725 HD11 LEU 94 HD11 LEU 94 -6.919 -19.977 13.480 726 HD12 LEU 94 HD12 LEU 94 -6.554 -19.558 11.804 727 HD13 LEU 94 HD13 LEU 94 -8.066 -19.020 12.542 728 HD21 LEU 94 HD21 LEU 94 -4.294 -18.455 12.676 729 HD22 LEU 94 HD22 LEU 94 -4.776 -18.937 14.307 730 HD23 LEU 94 HD23 LEU 94 -4.425 -17.245 13.958 731 H GLU 95 HN GLU 95 -8.382 -16.333 9.840 732 HA GLU 95 HA GLU 95 -7.739 -14.719 7.626 733 HB2 GLU 95 HB2 GLU 95 -10.140 -13.982 7.702 734 HB3 GLU 95 HB1 GLU 95 -9.923 -15.726 7.731 735 HG2 GLU 95 HG2 GLU 95 -10.357 -15.761 10.147 736 HG3 GLU 95 HG1 GLU 95 -10.512 -14.003 10.155 737 H HIS 96 HN HIS 96 -7.327 -12.609 7.354 738 HA HIS 96 HA HIS 96 -6.842 -10.909 9.698 739 HB2 HIS 96 HB2 HIS 96 -5.576 -9.474 8.124 740 HB3 HIS 96 HB1 HIS 96 -5.034 -11.142 8.023 741 HD1 HIS 96 HD1 HIS 96 -5.179 -12.276 5.764 742 HD2 HIS 96 HD2 HIS 96 -7.065 -8.586 5.803 743 HE1 HIS 96 HE1 HIS 96 -5.725 -11.785 3.369 744 HE2 HIS 96 HE2 HIS 96 -6.627 -9.442 3.410 745 H HIS 97 HN HIS 97 -9.601 -11.495 8.472 746 HA HIS 97 HA HIS 97 -10.743 -9.219 7.322 747 HB2 HIS 97 HB2 HIS 97 -11.931 -11.456 9.009 748 HB3 HIS 97 HB1 HIS 97 -12.939 -10.135 8.430 749 HD1 HIS 97 HD1 HIS 97 -13.203 -13.193 7.621 750 HD2 HIS 97 HD2 HIS 97 -11.510 -10.168 5.337 751 HE1 HIS 97 HE1 HIS 97 -13.433 -13.954 5.238 752 HE2 HIS 97 HE2 HIS 97 -12.516 -12.043 3.873 753 H HIS 98 HN HIS 98 -11.028 -7.242 8.089 754 HA HIS 98 HA HIS 98 -11.838 -6.789 10.876 755 HB2 HIS 98 HB2 HIS 98 -9.377 -6.340 10.801 756 HB3 HIS 98 HB1 HIS 98 -9.627 -5.177 9.495 757 HD1 HIS 98 HD1 HIS 98 -10.339 -5.695 13.163 758 HD2 HIS 98 HD2 HIS 98 -10.453 -2.644 10.340 759 HE1 HIS 98 HE1 HIS 98 -10.857 -3.608 14.453 760 HE2 HIS 98 HE2 HIS 98 -11.070 -1.798 12.708 761 H HIS 99 HN HIS 99 -13.797 -5.964 10.634 762 HA HIS 99 HA HIS 99 -14.648 -4.341 8.391 763 HB2 HIS 99 HB2 HIS 99 -16.142 -6.020 9.537 764 HB3 HIS 99 HB1 HIS 99 -16.125 -5.014 10.980 765 HD1 HIS 99 HD1 HIS 99 -17.662 -5.345 7.620 766 HD2 HIS 99 HD2 HIS 99 -17.689 -2.630 10.768 767 HE1 HIS 99 HE1 HIS 99 -19.594 -3.801 7.160 768 HE2 HIS 99 HE2 HIS 99 -19.668 -2.255 9.151 769 H HIS 100 HN HIS 100 -15.383 -2.160 8.565 770 HA HIS 100 HA HIS 100 -14.894 -0.544 10.910 771 HB2 HIS 100 HB2 HIS 100 -13.195 0.937 9.864 772 HB3 HIS 100 HB1 HIS 100 -12.581 -0.705 10.027 773 HD1 HIS 100 HD1 HIS 100 -13.339 1.907 7.511 774 HD2 HIS 100 HD2 HIS 100 -12.375 -2.144 7.522 775 HE1 HIS 100 HE1 HIS 100 -12.697 1.355 5.147 776 HE2 HIS 100 HE2 HIS 100 -12.220 -1.115 5.160 777 H HIS 101 HN HIS 101 -15.341 1.812 10.375 778 HA HIS 101 HA HIS 101 -17.474 2.074 8.359 779 HB2 HIS 101 HB2 HIS 101 -16.658 3.938 10.643 780 HB3 HIS 101 HB1 HIS 101 -17.960 4.265 9.503 781 HD1 HIS 101 HD1 HIS 101 -20.174 3.766 10.481 782 HD2 HIS 101 HD2 HIS 101 -17.255 1.241 12.017 783 HE1 HIS 101 HE1 HIS 101 -21.355 2.325 12.158 784 HE2 HIS 101 HE2 HIS 101 -19.574 0.795 13.065 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -15.443 -1.354 7.132 2 H2 MET 1 HT2 MET 1 -13.789 -1.425 7.463 3 H3 MET 1 HT3 MET 1 -14.324 -1.416 5.863 4 HA MET 1 HA MET 1 -15.175 0.788 6.090 5 HB2 MET 1 HB2 MET 1 -15.690 0.575 8.543 6 HB3 MET 1 HB1 MET 1 -13.974 0.713 8.893 7 HG2 MET 1 HG2 MET 1 -15.610 2.874 7.533 8 HG3 MET 1 HG1 MET 1 -15.303 2.802 9.269 9 HE1 MET 1 HE1 MET 1 -13.018 5.795 8.238 10 HE2 MET 1 HE2 MET 1 -14.283 5.236 9.328 11 HE3 MET 1 HE3 MET 1 -14.622 5.421 7.605 12 H THR 2 HN THR 2 -12.191 0.153 7.978 13 HA THR 2 HA THR 2 -10.607 1.754 6.122 14 HB THR 2 HB THR 2 -8.741 1.287 7.784 15 HG1 THR 2 HG1 THR 2 -9.710 -0.696 8.614 16 HG21 THR 2 HG21 THR 2 -10.086 3.349 7.995 17 HG22 THR 2 HG22 THR 2 -9.634 2.729 9.582 18 HG23 THR 2 HG23 THR 2 -11.271 2.484 8.978 19 H SER 3 HN SER 3 -10.538 0.509 4.240 20 HA SER 3 HA SER 3 -9.711 -2.235 4.159 21 HB2 SER 3 HB2 SER 3 -9.560 -1.886 1.707 22 HB3 SER 3 HB1 SER 3 -11.058 -1.205 2.339 23 HG SER 3 HG SER 3 -10.317 0.795 2.027 24 H THR 4 HN THR 4 -7.684 -2.824 2.781 25 HA THR 4 HA THR 4 -5.340 -2.028 4.122 26 HB THR 4 HB THR 4 -5.471 -3.337 1.364 27 HG1 THR 4 HG1 THR 4 -6.471 -4.855 2.441 28 HG21 THR 4 HG21 THR 4 -3.364 -3.506 3.559 29 HG22 THR 4 HG22 THR 4 -3.196 -2.607 2.047 30 HG23 THR 4 HG23 THR 4 -3.328 -4.366 2.018 31 H PHE 5 HN PHE 5 -6.501 -1.279 0.807 32 HA PHE 5 HA PHE 5 -4.574 0.587 0.037 33 HB2 PHE 5 HB2 PHE 5 -6.052 -0.145 -1.692 34 HB3 PHE 5 HB1 PHE 5 -7.490 0.262 -0.762 35 HD1 PHE 5 HD1 PHE 5 -4.514 1.898 -2.396 36 HD2 PHE 5 HD2 PHE 5 -8.598 2.326 -1.184 37 HE1 PHE 5 HE1 PHE 5 -4.589 4.145 -3.378 38 HE2 PHE 5 HE2 PHE 5 -8.654 4.568 -2.188 39 HZ PHE 5 HZ PHE 5 -6.648 5.476 -3.279 40 H ASP 6 HN ASP 6 -7.597 1.113 1.855 41 HA ASP 6 HA ASP 6 -7.668 3.892 1.979 42 HB2 ASP 6 HB2 ASP 6 -9.537 2.586 2.818 43 HB3 ASP 6 HB1 ASP 6 -8.530 1.821 4.039 44 H ARG 7 HN ARG 7 -6.070 1.622 4.178 45 HA ARG 7 HA ARG 7 -4.953 3.537 5.937 46 HB2 ARG 7 HB2 ARG 7 -4.297 0.625 5.399 47 HB3 ARG 7 HB1 ARG 7 -3.441 1.563 6.617 48 HG2 ARG 7 HG2 ARG 7 -6.422 0.974 6.596 49 HG3 ARG 7 HG1 ARG 7 -5.209 0.197 7.621 50 HD2 ARG 7 HD2 ARG 7 -4.682 2.559 8.514 51 HD3 ARG 7 HD1 ARG 7 -6.172 3.073 7.709 52 HE ARG 7 HE ARG 7 -6.507 0.812 9.475 53 HH11 ARG 7 HH11 ARG 7 -6.594 4.315 9.275 54 HH12 ARG 7 HH12 ARG 7 -7.435 4.495 10.780 55 HH21 ARG 7 HH21 ARG 7 -7.618 1.049 11.413 56 HH22 ARG 7 HH22 ARG 7 -8.001 2.631 12.005 57 H VAL 8 HN VAL 8 -3.661 1.966 2.977 58 HA VAL 8 HA VAL 8 -0.959 2.830 3.296 59 HB VAL 8 HB VAL 8 -2.445 2.043 0.732 60 HG11 VAL 8 HG11 VAL 8 0.548 2.210 1.246 61 HG12 VAL 8 HG12 VAL 8 -0.387 3.291 0.212 62 HG13 VAL 8 HG13 VAL 8 -0.202 1.589 -0.224 63 HG21 VAL 8 HG21 VAL 8 -0.710 0.330 2.557 64 HG22 VAL 8 HG22 VAL 8 -1.460 -0.190 1.046 65 HG23 VAL 8 HG23 VAL 8 -2.468 0.239 2.424 66 H ALA 9 HN ALA 9 -3.754 4.090 1.537 67 HA ALA 9 HA ALA 9 -2.580 6.273 0.223 68 HB1 ALA 9 HB1 ALA 9 -4.791 5.382 -0.422 69 HB2 ALA 9 HB2 ALA 9 -4.902 7.109 -0.063 70 HB3 ALA 9 HB3 ALA 9 -5.473 5.927 1.118 71 H THR 10 HN THR 10 -4.175 5.992 3.390 72 HA THR 10 HA THR 10 -4.043 8.658 4.242 73 HB THR 10 HB THR 10 -3.843 6.187 6.030 74 HG1 THR 10 HG1 THR 10 -5.712 6.493 4.440 75 HG21 THR 10 HG21 THR 10 -4.887 7.583 7.771 76 HG22 THR 10 HG22 THR 10 -4.921 8.966 6.674 77 HG23 THR 10 HG23 THR 10 -3.377 8.322 7.234 78 H ILE 11 HN ILE 11 -1.733 5.981 4.745 79 HA ILE 11 HA ILE 11 0.219 7.347 6.216 80 HB ILE 11 HB ILE 11 0.433 4.937 4.367 81 HG12 ILE 11 HG12 ILE 11 0.427 5.119 7.420 82 HG13 ILE 11 HG11 ILE 11 -0.987 4.738 6.448 83 HG21 ILE 11 HG21 ILE 11 2.586 6.002 6.234 84 HG22 ILE 11 HG22 ILE 11 2.670 5.932 4.472 85 HG23 ILE 11 HG23 ILE 11 2.638 4.440 5.413 86 HD11 ILE 11 HD11 ILE 11 1.516 3.072 6.674 87 HD12 ILE 11 HD12 ILE 11 0.110 2.687 5.675 88 HD13 ILE 11 HD13 ILE 11 -0.043 2.754 7.430 89 H ILE 12 HN ILE 12 0.049 6.809 2.662 90 HA ILE 12 HA ILE 12 2.401 8.108 1.898 91 HB ILE 12 HB ILE 12 -0.228 7.718 0.389 92 HG12 ILE 12 HG12 ILE 12 2.414 6.194 0.295 93 HG13 ILE 12 HG11 ILE 12 0.895 5.606 0.953 94 HG21 ILE 12 HG21 ILE 12 0.966 8.214 -1.716 95 HG22 ILE 12 HG22 ILE 12 2.414 8.643 -0.803 96 HG23 ILE 12 HG23 ILE 12 0.949 9.615 -0.647 97 HD11 ILE 12 HD11 ILE 12 1.324 4.585 -1.168 98 HD12 ILE 12 HD12 ILE 12 1.520 6.153 -1.943 99 HD13 ILE 12 HD13 ILE 12 -0.064 5.661 -1.334 100 H ALA 13 HN ALA 13 -0.925 9.344 2.098 101 HA ALA 13 HA ALA 13 -0.679 11.976 1.471 102 HB1 ALA 13 HB1 ALA 13 -2.660 12.362 2.879 103 HB2 ALA 13 HB2 ALA 13 -2.392 10.816 3.692 104 HB3 ALA 13 HB3 ALA 13 -2.809 10.852 1.979 105 H GLU 14 HN GLU 14 -0.404 10.654 4.775 106 HA GLU 14 HA GLU 14 0.217 13.085 6.081 107 HB2 GLU 14 HB2 GLU 14 0.664 10.205 6.988 108 HB3 GLU 14 HB1 GLU 14 0.787 11.616 8.042 109 HG2 GLU 14 HG2 GLU 14 -1.574 12.107 7.719 110 HG3 GLU 14 HG1 GLU 14 -1.728 10.779 6.568 111 H THR 15 HN THR 15 2.230 10.724 4.457 112 HA THR 15 HA THR 15 4.734 11.516 5.642 113 HB THR 15 HB THR 15 4.175 9.882 3.113 114 HG1 THR 15 HG1 THR 15 3.514 9.128 5.369 115 HG21 THR 15 HG21 THR 15 6.481 9.021 3.388 116 HG22 THR 15 HG22 THR 15 6.742 10.134 4.729 117 HG23 THR 15 HG23 THR 15 6.485 10.762 3.099 118 H CYS 16 HN CYS 16 3.126 12.121 2.437 119 HA CYS 16 HA CYS 16 5.422 13.755 1.590 120 HB2 CYS 16 HB2 CYS 16 4.693 11.770 0.222 121 HB3 CYS 16 HB1 CYS 16 3.154 12.568 -0.061 122 HG CYS 16 HG CYS 16 4.201 14.675 -1.513 123 H ASP 17 HN ASP 17 2.732 14.542 3.198 124 HA ASP 17 HA ASP 17 1.282 16.264 3.358 125 HB2 ASP 17 HB2 ASP 17 3.415 17.474 3.636 126 HB3 ASP 17 HB1 ASP 17 3.549 17.684 1.894 127 H ILE 18 HN ILE 18 0.080 14.789 1.730 128 HA ILE 18 HA ILE 18 -0.939 16.421 -0.501 129 HB ILE 18 HB ILE 18 -0.994 14.287 -1.984 130 HG12 ILE 18 HG12 ILE 18 1.251 13.396 -0.108 131 HG13 ILE 18 HG11 ILE 18 -0.340 12.659 -0.168 132 HG21 ILE 18 HG21 ILE 18 0.452 16.209 -2.508 133 HG22 ILE 18 HG22 ILE 18 1.241 14.690 -2.926 134 HG23 ILE 18 HG23 ILE 18 1.723 15.557 -1.465 135 HD11 ILE 18 HD11 ILE 18 1.709 12.683 -2.377 136 HD12 ILE 18 HD12 ILE 18 0.105 11.954 -2.489 137 HD13 ILE 18 HD13 ILE 18 1.287 11.319 -1.346 138 HA PRO 19 HA PRO 19 -4.838 14.801 1.087 139 HB2 PRO 19 HB2 PRO 19 -6.116 15.137 -1.566 140 HB3 PRO 19 HB1 PRO 19 -6.395 16.051 -0.080 141 HG2 PRO 19 HG2 PRO 19 -5.159 17.119 -2.265 142 HG3 PRO 19 HG1 PRO 19 -4.797 17.642 -0.605 143 HD2 PRO 19 HD2 PRO 19 -3.244 15.768 -2.388 144 HD3 PRO 19 HD1 PRO 19 -2.652 17.047 -1.301 145 H ARG 20 HN ARG 20 -5.390 12.651 1.363 146 HA ARG 20 HA ARG 20 -4.291 10.643 -0.346 147 HB2 ARG 20 HB2 ARG 20 -5.000 9.035 1.178 148 HB3 ARG 20 HB1 ARG 20 -4.728 10.447 2.188 149 HG2 ARG 20 HG2 ARG 20 -7.101 10.817 2.449 150 HG3 ARG 20 HG1 ARG 20 -7.483 9.634 1.190 151 HD2 ARG 20 HD2 ARG 20 -6.415 7.873 2.615 152 HD3 ARG 20 HD1 ARG 20 -6.260 9.071 3.906 153 HE ARG 20 HE ARG 20 -8.875 8.289 2.756 154 HH11 ARG 20 HH11 ARG 20 -6.899 8.866 5.597 155 HH12 ARG 20 HH12 ARG 20 -8.153 8.406 6.703 156 HH21 ARG 20 HH21 ARG 20 -10.487 7.678 4.205 157 HH22 ARG 20 HH22 ARG 20 -10.198 7.765 5.912 158 H GLU 21 HN GLU 21 -7.189 12.379 -0.569 159 HA GLU 21 HA GLU 21 -8.936 10.325 -1.570 160 HB2 GLU 21 HB2 GLU 21 -10.478 12.208 -2.031 161 HB3 GLU 21 HB1 GLU 21 -9.825 12.286 -0.395 162 HG2 GLU 21 HG2 GLU 21 -8.188 14.005 -1.149 163 HG3 GLU 21 HG1 GLU 21 -8.907 13.967 -2.761 164 H THR 22 HN THR 22 -6.558 12.490 -2.872 165 HA THR 22 HA THR 22 -7.394 12.297 -5.644 166 HB THR 22 HB THR 22 -5.359 13.607 -6.134 167 HG1 THR 22 HG1 THR 22 -4.554 13.974 -3.542 168 HG21 THR 22 HG21 THR 22 -7.333 14.870 -5.302 169 HG22 THR 22 HG22 THR 22 -5.826 15.631 -4.791 170 HG23 THR 22 HG23 THR 22 -6.758 14.671 -3.641 171 H ILE 23 HN ILE 23 -5.663 10.296 -3.462 172 HA ILE 23 HA ILE 23 -4.079 8.891 -5.467 173 HB ILE 23 HB ILE 23 -4.481 8.496 -2.458 174 HG12 ILE 23 HG12 ILE 23 -1.903 8.764 -2.456 175 HG13 ILE 23 HG11 ILE 23 -2.059 9.313 -4.116 176 HG21 ILE 23 HG21 ILE 23 -2.903 6.679 -4.309 177 HG22 ILE 23 HG22 ILE 23 -4.374 6.268 -3.422 178 HG23 ILE 23 HG23 ILE 23 -2.885 6.605 -2.542 179 HD11 ILE 23 HD11 ILE 23 -3.173 10.617 -1.652 180 HD12 ILE 23 HD12 ILE 23 -3.462 11.177 -3.301 181 HD13 ILE 23 HD13 ILE 23 -1.826 11.169 -2.646 182 H THR 24 HN THR 24 -5.154 7.504 -6.737 183 HA THR 24 HA THR 24 -7.488 5.970 -5.761 184 HB THR 24 HB THR 24 -7.796 5.327 -8.163 185 HG1 THR 24 HG1 THR 24 -6.323 7.041 -9.479 186 HG21 THR 24 HG21 THR 24 -8.520 7.524 -9.010 187 HG22 THR 24 HG22 THR 24 -7.577 8.333 -7.759 188 HG23 THR 24 HG23 THR 24 -8.960 7.330 -7.311 189 HA PRO 25 HA PRO 25 -5.062 2.216 -5.396 190 HB2 PRO 25 HB2 PRO 25 -6.642 0.264 -6.626 191 HB3 PRO 25 HB1 PRO 25 -6.873 0.860 -4.974 192 HG2 PRO 25 HG2 PRO 25 -8.303 1.638 -7.504 193 HG3 PRO 25 HG1 PRO 25 -8.957 1.404 -5.870 194 HD2 PRO 25 HD2 PRO 25 -8.500 3.871 -6.888 195 HD3 PRO 25 HD1 PRO 25 -8.296 3.523 -5.158 196 H GLU 26 HN GLU 26 -5.838 3.458 -8.559 197 HA GLU 26 HA GLU 26 -4.008 1.569 -9.902 198 HB2 GLU 26 HB2 GLU 26 -4.902 2.499 -12.011 199 HB3 GLU 26 HB1 GLU 26 -6.179 1.839 -10.993 200 HG2 GLU 26 HG2 GLU 26 -6.867 4.079 -10.326 201 HG3 GLU 26 HG1 GLU 26 -5.512 4.799 -11.202 202 H SER 27 HN SER 27 -3.677 4.333 -8.191 203 HA SER 27 HA SER 27 -2.042 5.937 -9.989 204 HB2 SER 27 HB2 SER 27 -2.396 6.130 -6.954 205 HB3 SER 27 HB1 SER 27 -1.556 7.313 -7.962 206 HG SER 27 HG SER 27 -4.131 6.669 -8.738 207 H HIS 28 HN HIS 28 0.133 5.769 -10.259 208 HA HIS 28 HA HIS 28 1.699 3.774 -8.845 209 HB2 HIS 28 HB2 HIS 28 2.019 4.454 -11.296 210 HB3 HIS 28 HB1 HIS 28 2.729 5.951 -10.713 211 HD2 HIS 28 HD2 HIS 28 3.749 2.488 -11.629 212 HE1 HIS 28 HE1 HIS 28 6.860 3.987 -9.208 213 HE2 HIS 28 HE2 HIS 28 6.271 2.451 -11.100 214 H ALA 29 HN ALA 29 2.419 4.238 -6.769 215 HA ALA 29 HA ALA 29 2.084 6.659 -5.489 216 HB1 ALA 29 HB1 ALA 29 3.277 5.637 -3.625 217 HB2 ALA 29 HB2 ALA 29 3.942 4.399 -4.697 218 HB3 ALA 29 HB3 ALA 29 2.206 4.460 -4.389 219 H ILE 30 HN ILE 30 4.772 5.717 -7.455 220 HA ILE 30 HA ILE 30 6.555 7.797 -6.324 221 HB ILE 30 HB ILE 30 7.089 5.486 -8.242 222 HG12 ILE 30 HG12 ILE 30 8.041 6.021 -5.392 223 HG13 ILE 30 HG11 ILE 30 6.862 4.810 -5.888 224 HG21 ILE 30 HG21 ILE 30 8.495 7.347 -8.983 225 HG22 ILE 30 HG22 ILE 30 9.483 6.088 -8.247 226 HG23 ILE 30 HG23 ILE 30 9.120 7.561 -7.345 227 HD11 ILE 30 HD11 ILE 30 9.800 4.820 -6.594 228 HD12 ILE 30 HD12 ILE 30 8.625 3.601 -7.098 229 HD13 ILE 30 HD13 ILE 30 9.010 3.806 -5.390 230 H ASP 31 HN ASP 31 5.199 6.701 -9.450 231 HA ASP 31 HA ASP 31 6.492 8.773 -10.966 232 HB2 ASP 31 HB2 ASP 31 6.169 6.493 -11.879 233 HB3 ASP 31 HB1 ASP 31 4.422 6.709 -11.825 234 H ASP 32 HN ASP 32 3.115 8.145 -9.963 235 HA ASP 32 HA ASP 32 2.027 10.387 -11.460 236 HB2 ASP 32 HB2 ASP 32 0.820 8.422 -9.463 237 HB3 ASP 32 HB1 ASP 32 -0.088 9.827 -10.000 238 H LEU 33 HN LEU 33 2.602 9.590 -8.043 239 HA LEU 33 HA LEU 33 1.552 12.094 -7.069 240 HB2 LEU 33 HB2 LEU 33 3.054 9.925 -5.563 241 HB3 LEU 33 HB1 LEU 33 2.072 11.200 -4.849 242 HG LEU 33 HG LEU 33 1.052 8.894 -6.565 243 HD11 LEU 33 HD11 LEU 33 0.673 9.426 -3.604 244 HD12 LEU 33 HD12 LEU 33 1.703 8.183 -4.322 245 HD13 LEU 33 HD13 LEU 33 -0.045 8.102 -4.530 246 HD21 LEU 33 HD21 LEU 33 -0.550 11.130 -5.263 247 HD22 LEU 33 HD22 LEU 33 -1.225 9.708 -6.063 248 HD23 LEU 33 HD23 LEU 33 -0.308 10.886 -6.996 249 H GLY 34 HN GLY 34 4.532 11.333 -8.384 250 HA2 GLY 34 HA2 GLY 34 6.497 12.496 -8.597 251 HA3 GLY 34 HA1 GLY 34 5.727 13.845 -7.783 252 H ILE 35 HN ILE 35 6.061 10.660 -6.364 253 HA ILE 35 HA ILE 35 7.638 11.755 -4.124 254 HB ILE 35 HB ILE 35 6.053 9.163 -4.444 255 HG12 ILE 35 HG12 ILE 35 5.494 11.618 -2.718 256 HG13 ILE 35 HG11 ILE 35 4.654 11.215 -4.214 257 HG21 ILE 35 HG21 ILE 35 6.474 8.712 -2.051 258 HG22 ILE 35 HG22 ILE 35 7.532 10.119 -1.962 259 HG23 ILE 35 HG23 ILE 35 7.983 8.739 -2.967 260 HD11 ILE 35 HD11 ILE 35 3.771 9.188 -3.149 261 HD12 ILE 35 HD12 ILE 35 3.324 10.656 -2.283 262 HD13 ILE 35 HD13 ILE 35 4.604 9.623 -1.651 263 H ASP 36 HN ASP 36 9.818 11.336 -4.121 264 HA ASP 36 HA ASP 36 11.112 9.579 -5.936 265 HB2 ASP 36 HB2 ASP 36 12.112 10.888 -3.364 266 HB3 ASP 36 HB1 ASP 36 13.146 9.993 -4.475 267 H SER 37 HN SER 37 12.374 7.688 -5.413 268 HA SER 37 HA SER 37 11.050 5.681 -3.930 269 HB2 SER 37 HB2 SER 37 13.913 5.733 -4.971 270 HB3 SER 37 HB1 SER 37 13.029 4.287 -4.470 271 HG SER 37 HG SER 37 12.611 4.305 -6.569 272 H LEU 38 HN LEU 38 13.418 8.082 -3.028 273 HA LEU 38 HA LEU 38 14.462 6.947 -0.637 274 HB2 LEU 38 HB2 LEU 38 14.031 9.885 -1.327 275 HB3 LEU 38 HB1 LEU 38 15.090 9.272 -0.062 276 HG LEU 38 HG LEU 38 15.485 8.884 -3.057 277 HD11 LEU 38 HD11 LEU 38 17.011 10.658 -1.118 278 HD12 LEU 38 HD12 LEU 38 15.899 11.200 -2.377 279 HD13 LEU 38 HD13 LEU 38 17.404 10.401 -2.822 280 HD21 LEU 38 HD21 LEU 38 16.364 6.965 -1.815 281 HD22 LEU 38 HD22 LEU 38 17.274 8.036 -0.747 282 HD23 LEU 38 HD23 LEU 38 17.687 7.936 -2.461 283 H ASP 39 HN ASP 39 11.835 9.260 -1.261 284 HA ASP 39 HA ASP 39 10.814 9.437 1.393 285 HB2 ASP 39 HB2 ASP 39 9.479 10.049 -1.285 286 HB3 ASP 39 HB1 ASP 39 8.841 10.525 0.290 287 H PHE 40 HN PHE 40 10.207 7.274 -1.310 288 HA PHE 40 HA PHE 40 7.787 6.118 -0.279 289 HB2 PHE 40 HB2 PHE 40 8.406 6.216 -2.737 290 HB3 PHE 40 HB1 PHE 40 9.628 4.987 -2.432 291 HD1 PHE 40 HD1 PHE 40 5.980 5.507 -1.637 292 HD2 PHE 40 HD2 PHE 40 8.984 2.812 -3.059 293 HE1 PHE 40 HE1 PHE 40 4.274 3.779 -1.978 294 HE2 PHE 40 HE2 PHE 40 7.259 1.098 -3.409 295 HZ PHE 40 HZ PHE 40 4.906 1.571 -2.871 296 H LEU 41 HN LEU 41 11.236 5.425 0.080 297 HA LEU 41 HA LEU 41 11.109 2.912 1.380 298 HB2 LEU 41 HB2 LEU 41 13.008 5.260 1.727 299 HB3 LEU 41 HB1 LEU 41 13.222 3.757 2.602 300 HG LEU 41 HG LEU 41 13.292 4.002 -0.431 301 HD11 LEU 41 HD11 LEU 41 15.203 5.164 0.586 302 HD12 LEU 41 HD12 LEU 41 15.719 3.704 -0.253 303 HD13 LEU 41 HD13 LEU 41 15.610 3.714 1.509 304 HD21 LEU 41 HD21 LEU 41 13.945 1.646 1.372 305 HD22 LEU 41 HD22 LEU 41 14.181 1.697 -0.377 306 HD23 LEU 41 HD23 LEU 41 12.554 1.784 0.291 307 H ASP 42 HN ASP 42 10.711 6.224 2.555 308 HA ASP 42 HA ASP 42 10.435 5.585 5.341 309 HB2 ASP 42 HB2 ASP 42 11.239 7.807 4.590 310 HB3 ASP 42 HB1 ASP 42 9.680 8.127 3.831 311 H ILE 43 HN ILE 43 8.172 6.207 2.685 312 HA ILE 43 HA ILE 43 5.724 6.096 4.066 313 HB ILE 43 HB ILE 43 6.393 5.189 1.220 314 HG12 ILE 43 HG12 ILE 43 5.049 7.740 2.235 315 HG13 ILE 43 HG11 ILE 43 6.694 7.620 1.624 316 HG21 ILE 43 HG21 ILE 43 4.367 3.994 1.919 317 HG22 ILE 43 HG22 ILE 43 3.959 5.223 0.727 318 HG23 ILE 43 HG23 ILE 43 3.617 5.508 2.434 319 HD11 ILE 43 HD11 ILE 43 4.152 7.219 0.045 320 HD12 ILE 43 HD12 ILE 43 5.785 7.015 -0.597 321 HD13 ILE 43 HD13 ILE 43 5.250 8.597 -0.032 322 H ALA 44 HN ALA 44 7.672 3.498 2.583 323 HA ALA 44 HA ALA 44 5.832 1.396 3.189 324 HB1 ALA 44 HB1 ALA 44 7.587 -0.086 2.318 325 HB2 ALA 44 HB2 ALA 44 8.735 1.259 2.319 326 HB3 ALA 44 HB3 ALA 44 7.333 1.295 1.248 327 H PHE 45 HN PHE 45 8.695 2.728 4.770 328 HA PHE 45 HA PHE 45 9.032 0.925 6.881 329 HB2 PHE 45 HB2 PHE 45 10.556 2.843 6.376 330 HB3 PHE 45 HB1 PHE 45 9.335 3.967 6.952 331 HD1 PHE 45 HD2 PHE 45 8.879 4.186 9.394 332 HD2 PHE 45 HD1 PHE 45 11.895 1.511 7.949 333 HE1 PHE 45 HE2 PHE 45 9.815 4.004 11.657 334 HE2 PHE 45 HE1 PHE 45 12.811 1.338 10.221 335 HZ PHE 45 HZ PHE 45 11.779 2.580 12.073 336 H ALA 46 HN ALA 46 6.861 3.735 6.600 337 HA ALA 46 HA ALA 46 5.718 3.528 9.211 338 HB1 ALA 46 HB1 ALA 46 4.628 4.920 6.743 339 HB2 ALA 46 HB2 ALA 46 5.700 5.633 7.950 340 HB3 ALA 46 HB3 ALA 46 4.061 5.160 8.397 341 H ILE 47 HN ILE 47 4.825 2.231 6.048 342 HA ILE 47 HA ILE 47 2.315 1.064 6.744 343 HB ILE 47 HB ILE 47 4.292 0.342 4.535 344 HG12 ILE 47 HG12 ILE 47 1.732 1.994 4.350 345 HG13 ILE 47 HG11 ILE 47 3.360 2.663 4.375 346 HG21 ILE 47 HG21 ILE 47 2.821 -1.567 4.985 347 HG22 ILE 47 HG22 ILE 47 2.453 -0.845 3.423 348 HG23 ILE 47 HG23 ILE 47 1.399 -0.535 4.802 349 HD11 ILE 47 HD11 ILE 47 3.851 1.539 2.249 350 HD12 ILE 47 HD12 ILE 47 2.453 2.606 2.124 351 HD13 ILE 47 HD13 ILE 47 2.219 0.862 2.230 352 H ASP 48 HN ASP 48 5.611 -0.144 6.608 353 HA ASP 48 HA ASP 48 5.411 -2.844 7.112 354 HB2 ASP 48 HB2 ASP 48 7.476 -1.503 6.534 355 HB3 ASP 48 HB1 ASP 48 7.515 -0.906 8.179 356 H LYS 49 HN LYS 49 5.714 -0.195 9.432 357 HA LYS 49 HA LYS 49 5.382 -1.833 11.772 358 HB2 LYS 49 HB2 LYS 49 5.663 1.139 11.301 359 HB3 LYS 49 HB1 LYS 49 5.159 0.561 12.879 360 HG2 LYS 49 HG2 LYS 49 7.563 0.959 12.853 361 HG3 LYS 49 HG1 LYS 49 7.215 -0.754 13.102 362 HD2 LYS 49 HD2 LYS 49 7.706 -1.177 10.690 363 HD3 LYS 49 HD1 LYS 49 8.119 0.528 10.487 364 HE2 LYS 49 HE2 LYS 49 10.018 0.296 11.984 365 HE3 LYS 49 HE1 LYS 49 9.539 -1.351 12.406 366 HZ1 LYS 49 HZ1 LYS 49 10.381 -0.434 9.717 367 HZ2 LYS 49 HZ2 LYS 49 9.919 -2.008 10.124 368 HZ3 LYS 49 HZ3 LYS 49 11.317 -1.338 10.801 369 H ALA 50 HN ALA 50 3.247 0.324 9.888 370 HA ALA 50 HA ALA 50 1.073 0.546 11.595 371 HB1 ALA 50 HB1 ALA 50 0.990 0.363 8.563 372 HB2 ALA 50 HB2 ALA 50 1.307 1.824 9.500 373 HB3 ALA 50 HB3 ALA 50 -0.274 1.043 9.597 374 H PHE 51 HN PHE 51 1.497 -1.862 9.017 375 HA PHE 51 HA PHE 51 -0.813 -3.417 9.854 376 HB2 PHE 51 HB2 PHE 51 1.193 -3.807 7.594 377 HB3 PHE 51 HB1 PHE 51 -0.188 -4.860 7.875 378 HD1 PHE 51 HD2 PHE 51 0.811 -1.423 6.862 379 HD2 PHE 51 HD1 PHE 51 -2.417 -4.199 7.217 380 HE1 PHE 51 HE2 PHE 51 -0.602 0.035 5.476 381 HE2 PHE 51 HE1 PHE 51 -3.823 -2.728 5.840 382 HZ PHE 51 HZ PHE 51 -2.918 -0.618 4.963 383 H GLY 52 HN GLY 52 2.428 -3.293 10.813 384 HA2 GLY 52 HA2 GLY 52 3.718 -4.623 12.155 385 HA3 GLY 52 HA1 GLY 52 2.324 -5.667 12.388 386 H ILE 53 HN ILE 53 3.743 -4.901 9.281 387 HA ILE 53 HA ILE 53 4.302 -7.776 8.779 388 HB ILE 53 HB ILE 53 4.049 -7.193 6.354 389 HG12 ILE 53 HG12 ILE 53 3.098 -4.449 7.324 390 HG13 ILE 53 HG11 ILE 53 4.656 -4.740 6.568 391 HG21 ILE 53 HG21 ILE 53 1.591 -6.944 6.324 392 HG22 ILE 53 HG22 ILE 53 1.618 -6.457 8.021 393 HG23 ILE 53 HG23 ILE 53 2.109 -8.090 7.565 394 HD11 ILE 53 HD11 ILE 53 3.086 -3.779 5.011 395 HD12 ILE 53 HD12 ILE 53 1.963 -5.107 5.286 396 HD13 ILE 53 HD13 ILE 53 3.518 -5.414 4.511 397 H LYS 54 HN LYS 54 6.006 -7.999 6.943 398 HA LYS 54 HA LYS 54 8.211 -6.045 7.260 399 HB2 LYS 54 HB2 LYS 54 8.568 -9.008 6.637 400 HB3 LYS 54 HB1 LYS 54 9.831 -7.826 6.954 401 HG2 LYS 54 HG2 LYS 54 7.852 -8.983 8.938 402 HG3 LYS 54 HG1 LYS 54 9.588 -9.277 8.864 403 HD2 LYS 54 HD2 LYS 54 8.220 -6.662 9.630 404 HD3 LYS 54 HD1 LYS 54 9.012 -7.785 10.728 405 HE2 LYS 54 HE2 LYS 54 10.658 -6.164 10.503 406 HE3 LYS 54 HE1 LYS 54 11.142 -7.265 9.219 407 HZ1 LYS 54 HZ1 LYS 54 9.468 -4.851 8.829 408 HZ2 LYS 54 HZ2 LYS 54 10.107 -5.845 7.619 409 HZ3 LYS 54 HZ3 LYS 54 11.135 -4.918 8.577 410 H LEU 55 HN LEU 55 7.662 -4.806 5.483 411 HA LEU 55 HA LEU 55 7.371 -5.858 2.809 412 HB2 LEU 55 HB2 LEU 55 7.869 -3.039 3.857 413 HB3 LEU 55 HB1 LEU 55 7.722 -3.411 2.140 414 HG LEU 55 HG LEU 55 5.519 -3.841 4.209 415 HD11 LEU 55 HD11 LEU 55 5.938 -1.462 3.872 416 HD12 LEU 55 HD12 LEU 55 4.401 -1.929 3.153 417 HD13 LEU 55 HD13 LEU 55 5.807 -1.655 2.120 418 HD21 LEU 55 HD21 LEU 55 4.053 -4.265 2.284 419 HD22 LEU 55 HD22 LEU 55 5.374 -5.425 2.324 420 HD23 LEU 55 HD23 LEU 55 5.418 -4.088 1.174 421 HA PRO 56 HA PRO 56 11.946 -5.781 2.152 422 HB2 PRO 56 HB2 PRO 56 12.071 -7.578 0.150 423 HB3 PRO 56 HB1 PRO 56 11.801 -8.108 1.819 424 HG2 PRO 56 HG2 PRO 56 9.807 -7.766 -0.418 425 HG3 PRO 56 HG1 PRO 56 9.937 -9.078 0.774 426 HD2 PRO 56 HD2 PRO 56 8.180 -6.918 0.991 427 HD3 PRO 56 HD1 PRO 56 8.728 -7.903 2.362 428 H LEU 57 HN LEU 57 10.644 -3.619 1.518 429 HA LEU 57 HA LEU 57 9.958 -3.003 -1.143 430 HB2 LEU 57 HB2 LEU 57 9.452 -1.694 1.052 431 HB3 LEU 57 HB1 LEU 57 11.030 -0.968 0.863 432 HG LEU 57 HG LEU 57 9.128 0.480 0.103 433 HD11 LEU 57 HD11 LEU 57 10.069 1.319 -1.960 434 HD12 LEU 57 HD12 LEU 57 11.016 -0.160 -2.158 435 HD13 LEU 57 HD13 LEU 57 11.342 0.924 -0.806 436 HD21 LEU 57 HD21 LEU 57 7.927 -0.010 -1.955 437 HD22 LEU 57 HD22 LEU 57 7.648 -1.250 -0.738 438 HD23 LEU 57 HD23 LEU 57 8.748 -1.568 -2.086 439 H GLU 58 HN GLU 58 12.976 -2.702 0.638 440 HA GLU 58 HA GLU 58 14.545 -1.352 -1.277 441 HB2 GLU 58 HB2 GLU 58 16.489 -2.215 0.043 442 HB3 GLU 58 HB1 GLU 58 15.242 -1.489 1.050 443 HG2 GLU 58 HG2 GLU 58 14.408 -3.727 1.662 444 HG3 GLU 58 HG1 GLU 58 15.640 -4.476 0.648 445 H LYS 59 HN LYS 59 13.888 -4.801 -0.757 446 HA LYS 59 HA LYS 59 15.747 -5.900 -2.604 447 HB2 LYS 59 HB2 LYS 59 13.670 -6.922 -0.841 448 HB3 LYS 59 HB1 LYS 59 13.436 -7.648 -2.410 449 HG2 LYS 59 HG2 LYS 59 14.762 -9.198 -1.342 450 HG3 LYS 59 HG1 LYS 59 15.944 -8.297 -2.294 451 HD2 LYS 59 HD2 LYS 59 15.403 -7.644 0.636 452 HD3 LYS 59 HD1 LYS 59 16.569 -8.875 0.163 453 HE2 LYS 59 HE2 LYS 59 17.876 -7.170 -1.067 454 HE3 LYS 59 HE1 LYS 59 16.701 -5.937 -0.618 455 HZ1 LYS 59 HZ1 LYS 59 18.346 -7.486 1.289 456 HZ2 LYS 59 HZ2 LYS 59 17.269 -6.242 1.678 457 HZ3 LYS 59 HZ3 LYS 59 18.664 -5.906 0.781 458 H TRP 60 HN TRP 60 12.334 -5.082 -2.809 459 HA TRP 60 HA TRP 60 11.753 -5.896 -5.427 460 HB2 TRP 60 HB2 TRP 60 10.507 -3.694 -3.725 461 HB3 TRP 60 HB1 TRP 60 9.806 -4.302 -5.223 462 HD1 TRP 60 HD1 TRP 60 10.702 -7.469 -4.134 463 HE1 TRP 60 HE1 TRP 60 8.933 -8.572 -2.642 464 HE3 TRP 60 HE3 TRP 60 8.146 -3.296 -2.643 465 HZ2 TRP 60 HZ2 TRP 60 6.771 -7.811 -1.039 466 HZ3 TRP 60 HZ3 TRP 60 6.245 -3.569 -1.106 467 HH2 TRP 60 HH2 TRP 60 5.573 -5.789 -0.322 468 H THR 61 HN THR 61 12.972 -2.836 -4.130 469 HA THR 61 HA THR 61 12.938 -1.344 -6.558 470 HB THR 61 HB THR 61 14.671 -0.877 -4.086 471 HG1 THR 61 HG1 THR 61 12.199 -0.934 -3.955 472 HG21 THR 61 HG21 THR 61 15.427 0.458 -6.033 473 HG22 THR 61 HG22 THR 61 14.697 1.495 -4.807 474 HG23 THR 61 HG23 THR 61 13.787 1.070 -6.258 475 H GLN 62 HN GLN 62 15.302 -3.498 -5.033 476 HA GLN 62 HA GLN 62 17.488 -2.863 -6.797 477 HB2 GLN 62 HB2 GLN 62 17.063 -5.194 -4.882 478 HB3 GLN 62 HB1 GLN 62 18.535 -4.960 -5.824 479 HG2 GLN 62 HG2 GLN 62 17.450 -3.066 -3.721 480 HG3 GLN 62 HG1 GLN 62 18.799 -4.176 -3.513 481 HE21 GLN 62 HE21 GLN 62 19.966 -3.604 -6.173 482 HE22 GLN 62 HE22 GLN 62 20.675 -2.037 -6.040 483 H GLU 63 HN GLU 63 14.839 -5.225 -6.780 484 HA GLU 63 HA GLU 63 15.684 -6.794 -8.982 485 HB2 GLU 63 HB2 GLU 63 12.846 -6.157 -8.057 486 HB3 GLU 63 HB1 GLU 63 13.260 -7.401 -9.237 487 HG2 GLU 63 HG2 GLU 63 14.639 -8.510 -7.441 488 HG3 GLU 63 HG1 GLU 63 13.973 -7.345 -6.299 489 H VAL 64 HN VAL 64 13.749 -3.844 -8.760 490 HA VAL 64 HA VAL 64 13.201 -3.447 -11.489 491 HB VAL 64 HB VAL 64 13.563 -1.347 -9.307 492 HG11 VAL 64 HG11 VAL 64 13.705 -0.343 -11.578 493 HG12 VAL 64 HG12 VAL 64 12.244 0.160 -10.739 494 HG13 VAL 64 HG13 VAL 64 12.151 -1.073 -11.996 495 HG21 VAL 64 HG21 VAL 64 11.089 -1.418 -9.120 496 HG22 VAL 64 HG22 VAL 64 11.803 -2.989 -8.757 497 HG23 VAL 64 HG23 VAL 64 11.032 -2.715 -10.319 498 H ASN 65 HN ASN 65 15.908 -2.350 -9.483 499 HA ASN 65 HA ASN 65 17.428 -1.015 -11.426 500 HB2 ASN 65 HB2 ASN 65 18.397 -2.517 -8.943 501 HB3 ASN 65 HB1 ASN 65 19.383 -1.401 -9.885 502 HD21 ASN 65 HD21 ASN 65 18.630 -1.271 -7.059 503 HD22 ASN 65 HD22 ASN 65 17.818 0.240 -6.848 504 H ASP 66 HN ASP 66 17.282 -4.483 -10.561 505 HA ASP 66 HA ASP 66 19.531 -5.204 -12.243 506 HB2 ASP 66 HB2 ASP 66 19.072 -6.172 -9.949 507 HB3 ASP 66 HB1 ASP 66 17.644 -6.965 -10.605 508 H GLY 67 HN GLY 67 16.336 -4.576 -12.952 509 HA2 GLY 67 HA2 GLY 67 15.012 -5.010 -14.758 510 HA3 GLY 67 HA1 GLY 67 16.306 -5.979 -15.439 511 H LYS 68 HN LYS 68 15.398 -7.098 -12.336 512 HA LYS 68 HA LYS 68 13.977 -9.406 -13.387 513 HB2 LYS 68 HB2 LYS 68 14.605 -8.571 -10.525 514 HB3 LYS 68 HB1 LYS 68 13.772 -10.067 -10.952 515 HG2 LYS 68 HG2 LYS 68 15.760 -10.799 -12.237 516 HG3 LYS 68 HG1 LYS 68 16.600 -9.315 -11.773 517 HD2 LYS 68 HD2 LYS 68 15.590 -11.454 -9.849 518 HD3 LYS 68 HD1 LYS 68 17.263 -11.271 -10.379 519 HE2 LYS 68 HE2 LYS 68 17.368 -9.050 -9.297 520 HE3 LYS 68 HE1 LYS 68 15.682 -9.204 -8.806 521 HZ1 LYS 68 HZ1 LYS 68 17.945 -10.876 -7.895 522 HZ2 LYS 68 HZ2 LYS 68 16.328 -11.157 -7.502 523 HZ3 LYS 68 HZ3 LYS 68 17.085 -9.738 -6.991 524 H ALA 69 HN ALA 69 13.167 -6.359 -11.929 525 HA ALA 69 HA ALA 69 10.289 -6.856 -12.345 526 HB1 ALA 69 HB1 ALA 69 9.727 -5.675 -10.251 527 HB2 ALA 69 HB2 ALA 69 11.443 -5.501 -9.864 528 HB3 ALA 69 HB3 ALA 69 10.704 -7.102 -9.904 529 H THR 70 HN THR 70 9.119 -4.679 -12.238 530 HA THR 70 HA THR 70 10.733 -2.375 -13.132 531 HB THR 70 HB THR 70 8.111 -3.376 -14.356 532 HG1 THR 70 HG1 THR 70 10.648 -3.937 -14.929 533 HG21 THR 70 HG21 THR 70 8.297 -1.552 -15.992 534 HG22 THR 70 HG22 THR 70 9.736 -0.945 -15.176 535 HG23 THR 70 HG23 THR 70 8.172 -0.888 -14.358 536 H THR 71 HN THR 71 9.911 -0.337 -12.418 537 HA THR 71 HA THR 71 8.437 -0.162 -10.033 538 HB THR 71 HB THR 71 8.145 2.357 -10.788 539 HG1 THR 71 HG1 THR 71 8.591 2.452 -12.880 540 HG21 THR 71 HG21 THR 71 10.431 2.900 -10.130 541 HG22 THR 71 HG22 THR 71 10.941 1.245 -10.444 542 HG23 THR 71 HG23 THR 71 9.822 1.580 -9.127 543 H GLU 72 HN GLU 72 6.543 -1.149 -10.087 544 HA GLU 72 HA GLU 72 4.139 -0.108 -10.960 545 HB2 GLU 72 HB2 GLU 72 4.946 -0.591 -13.259 546 HB3 GLU 72 HB1 GLU 72 5.252 -2.268 -12.836 547 HG2 GLU 72 HG2 GLU 72 2.453 -1.133 -12.703 548 HG3 GLU 72 HG1 GLU 72 3.168 -1.600 -14.237 549 H GLN 73 HN GLN 73 5.659 -3.288 -11.039 550 HA GLN 73 HA GLN 73 3.633 -4.893 -10.139 551 HB2 GLN 73 HB2 GLN 73 6.639 -5.209 -9.855 552 HB3 GLN 73 HB1 GLN 73 5.509 -6.506 -9.484 553 HG2 GLN 73 HG2 GLN 73 4.746 -6.580 -11.793 554 HG3 GLN 73 HG1 GLN 73 5.729 -5.169 -12.195 555 HE21 GLN 73 HE21 GLN 73 5.855 -8.571 -11.261 556 HE22 GLN 73 HE22 GLN 73 7.448 -8.867 -11.864 557 H TYR 74 HN TYR 74 5.788 -2.989 -8.125 558 HA TYR 74 HA TYR 74 4.315 -3.857 -5.696 559 HB2 TYR 74 HB2 TYR 74 7.307 -3.222 -5.789 560 HB3 TYR 74 HB1 TYR 74 6.399 -3.885 -4.436 561 HD1 TYR 74 HD2 TYR 74 5.429 -6.261 -4.674 562 HD2 TYR 74 HD1 TYR 74 8.343 -4.693 -7.383 563 HE1 TYR 74 HE2 TYR 74 5.943 -8.533 -5.442 564 HE2 TYR 74 HE1 TYR 74 8.848 -6.974 -8.149 565 HH TYR 74 HH TYR 74 6.868 -9.650 -7.396 566 H PHE 75 HN PHE 75 4.676 -1.281 -7.704 567 HA PHE 75 HA PHE 75 5.219 0.735 -5.603 568 HB2 PHE 75 HB2 PHE 75 6.174 0.756 -8.511 569 HB3 PHE 75 HB1 PHE 75 6.467 2.028 -7.326 570 HD1 PHE 75 HD1 PHE 75 8.062 1.676 -5.464 571 HD2 PHE 75 HD2 PHE 75 7.444 -1.354 -8.418 572 HE1 PHE 75 HE1 PHE 75 10.077 0.500 -4.686 573 HE2 PHE 75 HE2 PHE 75 9.459 -2.521 -7.630 574 HZ PHE 75 HZ PHE 75 10.777 -1.601 -5.764 575 H VAL 76 HN VAL 76 2.860 -0.463 -7.516 576 HA VAL 76 HA VAL 76 1.426 2.131 -7.748 577 HB VAL 76 HB VAL 76 0.773 -0.606 -8.951 578 HG11 VAL 76 HG11 VAL 76 -0.822 1.977 -9.212 579 HG12 VAL 76 HG12 VAL 76 -1.335 0.511 -8.368 580 HG13 VAL 76 HG13 VAL 76 -1.123 0.492 -10.120 581 HG21 VAL 76 HG21 VAL 76 1.597 1.986 -10.308 582 HG22 VAL 76 HG22 VAL 76 1.137 0.495 -11.134 583 HG23 VAL 76 HG23 VAL 76 2.590 0.535 -10.133 584 H LEU 77 HN LEU 77 -0.577 2.310 -6.640 585 HA LEU 77 HA LEU 77 -0.591 1.474 -4.018 586 HB2 LEU 77 HB2 LEU 77 -2.561 2.829 -5.808 587 HB3 LEU 77 HB1 LEU 77 -3.210 2.184 -4.321 588 HG LEU 77 HG LEU 77 -2.668 4.544 -4.088 589 HD11 LEU 77 HD11 LEU 77 -0.840 2.817 -2.403 590 HD12 LEU 77 HD12 LEU 77 -2.556 3.130 -2.114 591 HD13 LEU 77 HD13 LEU 77 -1.398 4.451 -2.022 592 HD21 LEU 77 HD21 LEU 77 -0.837 4.744 -5.696 593 HD22 LEU 77 HD22 LEU 77 0.227 3.815 -4.635 594 HD23 LEU 77 HD23 LEU 77 -0.377 5.396 -4.124 595 H LYS 78 HN LYS 78 -2.482 0.020 -6.682 596 HA LYS 78 HA LYS 78 -3.990 -1.759 -5.011 597 HB2 LYS 78 HB2 LYS 78 -4.642 -2.884 -7.157 598 HB3 LYS 78 HB1 LYS 78 -4.867 -1.138 -7.188 599 HG2 LYS 78 HG2 LYS 78 -2.597 -1.009 -8.382 600 HG3 LYS 78 HG1 LYS 78 -2.723 -2.757 -8.594 601 HD2 LYS 78 HD2 LYS 78 -4.821 -2.448 -9.866 602 HD3 LYS 78 HD1 LYS 78 -4.735 -0.703 -9.599 603 HE2 LYS 78 HE2 LYS 78 -3.937 -1.194 -11.840 604 HE3 LYS 78 HE1 LYS 78 -2.575 -0.650 -10.858 605 HZ1 LYS 78 HZ1 LYS 78 -1.926 -2.974 -10.574 606 HZ2 LYS 78 HZ2 LYS 78 -1.969 -2.540 -12.204 607 HZ3 LYS 78 HZ3 LYS 78 -3.217 -3.470 -11.547 608 H ASN 79 HN ASN 79 -1.033 -2.095 -6.929 609 HA ASN 79 HA ASN 79 -0.575 -4.853 -6.500 610 HB2 ASN 79 HB2 ASN 79 1.327 -2.570 -7.183 611 HB3 ASN 79 HB1 ASN 79 1.829 -4.255 -7.135 612 HD21 ASN 79 HD21 ASN 79 1.889 -5.177 -9.077 613 HD22 ASN 79 HD22 ASN 79 0.912 -4.757 -10.438 614 H LEU 80 HN LEU 80 0.605 -1.972 -4.863 615 HA LEU 80 HA LEU 80 2.355 -3.144 -3.012 616 HB2 LEU 80 HB2 LEU 80 2.424 -0.741 -3.622 617 HB3 LEU 80 HB1 LEU 80 0.857 -0.495 -2.872 618 HG LEU 80 HG LEU 80 1.854 -1.035 -0.640 619 HD11 LEU 80 HD11 LEU 80 4.295 -1.136 -0.347 620 HD12 LEU 80 HD12 LEU 80 4.512 -1.140 -2.100 621 HD13 LEU 80 HD13 LEU 80 3.694 -2.487 -1.303 622 HD21 LEU 80 HD21 LEU 80 3.242 1.232 -2.103 623 HD22 LEU 80 HD22 LEU 80 3.087 1.068 -0.352 624 HD23 LEU 80 HD23 LEU 80 1.650 1.298 -1.343 625 H ALA 81 HN ALA 81 -1.028 -2.024 -2.666 626 HA ALA 81 HA ALA 81 -1.420 -2.780 0.036 627 HB1 ALA 81 HB1 ALA 81 -3.822 -2.474 -0.408 628 HB2 ALA 81 HB2 ALA 81 -3.507 -2.452 -2.149 629 HB3 ALA 81 HB3 ALA 81 -2.875 -1.162 -1.121 630 H ALA 82 HN ALA 82 -1.628 -4.561 -2.967 631 HA ALA 82 HA ALA 82 -2.923 -6.894 -1.968 632 HB1 ALA 82 HB1 ALA 82 -2.829 -6.349 -4.369 633 HB2 ALA 82 HB2 ALA 82 -2.168 -7.951 -4.045 634 HB3 ALA 82 HB3 ALA 82 -1.081 -6.597 -4.364 635 H ARG 83 HN ARG 83 0.517 -6.018 -2.461 636 HA ARG 83 HA ARG 83 1.755 -8.376 -1.584 637 HB2 ARG 83 HB2 ARG 83 2.860 -5.578 -1.024 638 HB3 ARG 83 HB1 ARG 83 3.775 -7.074 -1.159 639 HG2 ARG 83 HG2 ARG 83 2.515 -5.424 -3.350 640 HG3 ARG 83 HG1 ARG 83 4.209 -5.877 -3.140 641 HD2 ARG 83 HD2 ARG 83 1.923 -7.728 -3.904 642 HD3 ARG 83 HD1 ARG 83 3.201 -7.142 -4.971 643 HE ARG 83 HE ARG 83 4.246 -8.565 -2.717 644 HH11 ARG 83 HH11 ARG 83 2.805 -9.031 -5.879 645 HH12 ARG 83 HH12 ARG 83 3.464 -10.622 -6.065 646 HH21 ARG 83 HH21 ARG 83 5.085 -10.650 -2.985 647 HH22 ARG 83 HH22 ARG 83 4.751 -11.520 -4.447 648 H ILE 84 HN ILE 84 0.755 -5.528 0.173 649 HA ILE 84 HA ILE 84 1.702 -6.061 2.757 650 HB ILE 84 HB ILE 84 -0.632 -4.393 1.720 651 HG12 ILE 84 HG12 ILE 84 2.098 -3.448 2.711 652 HG13 ILE 84 HG11 ILE 84 1.765 -3.806 1.021 653 HG21 ILE 84 HG21 ILE 84 -1.110 -4.888 4.062 654 HG22 ILE 84 HG22 ILE 84 -0.661 -3.194 3.876 655 HG23 ILE 84 HG23 ILE 84 0.501 -4.344 4.532 656 HD11 ILE 84 HD11 ILE 84 0.371 -1.698 2.664 657 HD12 ILE 84 HD12 ILE 84 0.102 -2.038 0.949 658 HD13 ILE 84 HD13 ILE 84 1.664 -1.428 1.497 659 H ASP 85 HN ASP 85 -1.497 -6.645 1.278 660 HA ASP 85 HA ASP 85 -2.823 -7.857 3.422 661 HB2 ASP 85 HB2 ASP 85 -4.126 -7.180 1.529 662 HB3 ASP 85 HB1 ASP 85 -3.130 -8.101 0.406 663 H GLU 86 HN GLU 86 -0.841 -9.331 0.847 664 HA GLU 86 HA GLU 86 -1.187 -12.042 1.594 665 HB2 GLU 86 HB2 GLU 86 1.110 -10.731 0.082 666 HB3 GLU 86 HB1 GLU 86 0.844 -12.472 0.193 667 HG2 GLU 86 HG2 GLU 86 -1.342 -12.178 -0.951 668 HG3 GLU 86 HG1 GLU 86 -1.004 -10.455 -1.114 669 H LEU 87 HN LEU 87 1.164 -9.588 2.568 670 HA LEU 87 HA LEU 87 2.776 -11.336 4.156 671 HB2 LEU 87 HB2 LEU 87 2.581 -8.304 4.182 672 HB3 LEU 87 HB1 LEU 87 3.795 -9.232 5.057 673 HG LEU 87 HG LEU 87 3.474 -9.137 2.029 674 HD11 LEU 87 HD11 LEU 87 5.647 -7.961 3.771 675 HD12 LEU 87 HD12 LEU 87 4.383 -7.067 2.923 676 HD13 LEU 87 HD13 LEU 87 5.600 -7.950 2.005 677 HD21 LEU 87 HD21 LEU 87 5.570 -10.612 3.661 678 HD22 LEU 87 HD22 LEU 87 5.522 -10.476 1.902 679 HD23 LEU 87 HD23 LEU 87 4.252 -11.353 2.746 680 H VAL 88 HN VAL 88 -0.044 -9.302 4.904 681 HA VAL 88 HA VAL 88 -0.073 -9.678 7.729 682 HB VAL 88 HB VAL 88 -2.440 -9.241 5.833 683 HG11 VAL 88 HG11 VAL 88 -2.340 -8.961 8.870 684 HG12 VAL 88 HG12 VAL 88 -3.205 -10.219 7.982 685 HG13 VAL 88 HG13 VAL 88 -3.720 -8.536 7.851 686 HG21 VAL 88 HG21 VAL 88 -2.338 -6.862 6.546 687 HG22 VAL 88 HG22 VAL 88 -0.826 -7.350 5.781 688 HG23 VAL 88 HG23 VAL 88 -0.919 -7.213 7.536 689 H ALA 89 HN ALA 89 -1.343 -11.511 5.017 690 HA ALA 89 HA ALA 89 -2.741 -13.523 6.436 691 HB1 ALA 89 HB1 ALA 89 -3.200 -13.002 4.075 692 HB2 ALA 89 HB2 ALA 89 -2.764 -14.701 4.263 693 HB3 ALA 89 HB3 ALA 89 -1.584 -13.558 3.623 694 H ALA 90 HN ALA 90 0.524 -13.353 5.027 695 HA ALA 90 HA ALA 90 1.359 -15.978 5.563 696 HB1 ALA 90 HB1 ALA 90 2.412 -14.543 3.865 697 HB2 ALA 90 HB2 ALA 90 3.612 -15.175 4.995 698 HB3 ALA 90 HB3 ALA 90 3.061 -13.503 5.134 699 H LYS 91 HN LYS 91 1.681 -12.970 7.449 700 HA LYS 91 HA LYS 91 3.368 -14.172 9.473 701 HB2 LYS 91 HB2 LYS 91 3.345 -12.049 10.573 702 HB3 LYS 91 HB1 LYS 91 3.432 -11.718 8.843 703 HG2 LYS 91 HG2 LYS 91 1.017 -11.201 8.826 704 HG3 LYS 91 HG1 LYS 91 0.937 -11.529 10.561 705 HD2 LYS 91 HD2 LYS 91 2.612 -9.681 10.917 706 HD3 LYS 91 HD1 LYS 91 2.506 -9.308 9.193 707 HE2 LYS 91 HE2 LYS 91 1.082 -7.786 10.438 708 HE3 LYS 91 HE1 LYS 91 0.064 -8.866 9.483 709 HZ1 LYS 91 HZ1 LYS 91 0.671 -9.167 12.375 710 HZ2 LYS 91 HZ2 LYS 91 -0.330 -10.182 11.466 711 HZ3 LYS 91 HZ3 LYS 91 -0.772 -8.574 11.728 712 H GLY 92 HN GLY 92 -0.019 -13.969 8.844 713 HA2 GLY 92 HA2 GLY 92 -0.797 -14.741 11.579 714 HA3 GLY 92 HA1 GLY 92 -1.875 -14.360 10.241 715 H ALA 93 HN ALA 93 0.376 -16.242 8.833 716 HA ALA 93 HA ALA 93 -1.320 -18.638 8.932 717 HB1 ALA 93 HB1 ALA 93 -0.100 -19.346 6.915 718 HB2 ALA 93 HB2 ALA 93 0.980 -17.954 7.061 719 HB3 ALA 93 HB3 ALA 93 -0.734 -17.709 6.718 720 H LEU 94 HN LEU 94 1.062 -17.636 10.847 721 HA LEU 94 HA LEU 94 2.825 -19.903 10.981 722 HB2 LEU 94 HB2 LEU 94 2.315 -17.490 12.736 723 HB3 LEU 94 HB1 LEU 94 3.235 -18.832 13.384 724 HG LEU 94 HG LEU 94 4.890 -18.584 11.517 725 HD11 LEU 94 HD11 LEU 94 3.387 -16.053 10.814 726 HD12 LEU 94 HD12 LEU 94 3.481 -17.516 9.833 727 HD13 LEU 94 HD13 LEU 94 4.936 -16.572 10.140 728 HD21 LEU 94 HD21 LEU 94 6.019 -16.619 12.442 729 HD22 LEU 94 HD22 LEU 94 5.314 -17.596 13.728 730 HD23 LEU 94 HD23 LEU 94 4.523 -16.099 13.224 731 H GLU 95 HN GLU 95 3.011 -21.111 13.189 732 HA GLU 95 HA GLU 95 0.945 -22.989 13.059 733 HB2 GLU 95 HB2 GLU 95 3.049 -22.717 15.242 734 HB3 GLU 95 HB1 GLU 95 2.095 -24.161 14.907 735 HG2 GLU 95 HG2 GLU 95 4.197 -22.905 13.110 736 HG3 GLU 95 HG1 GLU 95 4.340 -24.410 14.007 737 H HIS 96 HN HIS 96 1.650 -20.617 15.620 738 HA HIS 96 HA HIS 96 -0.626 -21.346 17.244 739 HB2 HIS 96 HB2 HIS 96 1.241 -18.938 17.363 740 HB3 HIS 96 HB1 HIS 96 -0.036 -19.248 18.537 741 HD1 HIS 96 HD1 HIS 96 0.375 -21.101 20.272 742 HD2 HIS 96 HD2 HIS 96 3.491 -20.655 17.570 743 HE1 HIS 96 HE1 HIS 96 2.293 -22.393 21.239 744 HE2 HIS 96 HE2 HIS 96 4.114 -22.236 19.512 745 H HIS 97 HN HIS 97 -2.509 -21.144 16.184 746 HA HIS 97 HA HIS 97 -4.389 -20.307 15.309 747 HB2 HIS 97 HB2 HIS 97 -4.130 -18.583 17.144 748 HB3 HIS 97 HB1 HIS 97 -3.310 -17.532 15.996 749 HD1 HIS 97 HD1 HIS 97 -6.689 -18.974 16.801 750 HD2 HIS 97 HD2 HIS 97 -5.035 -16.126 14.271 751 HE1 HIS 97 HE1 HIS 97 -8.636 -17.706 15.855 752 HE2 HIS 97 HE2 HIS 97 -7.610 -15.952 14.370 753 H HIS 98 HN HIS 98 -4.119 -20.981 13.201 754 HA HIS 98 HA HIS 98 -2.492 -19.539 11.278 755 HB2 HIS 98 HB2 HIS 98 -4.408 -21.881 10.914 756 HB3 HIS 98 HB1 HIS 98 -3.413 -21.219 9.630 757 HD1 HIS 98 HD1 HIS 98 -3.352 -23.555 12.457 758 HD2 HIS 98 HD2 HIS 98 -0.603 -21.741 9.935 759 HE1 HIS 98 HE1 HIS 98 -1.246 -24.888 12.702 760 HE2 HIS 98 HE2 HIS 98 0.425 -23.752 11.194 761 H HIS 99 HN HIS 99 -5.631 -19.155 12.467 762 HA HIS 99 HA HIS 99 -7.217 -17.604 12.133 763 HB2 HIS 99 HB2 HIS 99 -5.531 -16.027 11.263 764 HB3 HIS 99 HB1 HIS 99 -5.666 -16.733 9.662 765 HD1 HIS 99 HD1 HIS 99 -7.344 -15.678 8.127 766 HD2 HIS 99 HD2 HIS 99 -7.980 -14.624 12.092 767 HE1 HIS 99 HE1 HIS 99 -9.091 -13.879 8.067 768 HE2 HIS 99 HE2 HIS 99 -9.363 -13.166 10.462 769 H HIS 100 HN HIS 100 -6.319 -18.860 8.891 770 HA HIS 100 HA HIS 100 -9.011 -18.793 7.932 771 HB2 HIS 100 HB2 HIS 100 -7.104 -18.410 6.422 772 HB3 HIS 100 HB1 HIS 100 -6.512 -20.043 6.703 773 HD1 HIS 100 HD1 HIS 100 -9.651 -18.366 5.331 774 HD2 HIS 100 HD2 HIS 100 -7.385 -21.806 4.797 775 HE1 HIS 100 HE1 HIS 100 -10.704 -19.571 3.398 776 HE2 HIS 100 HE2 HIS 100 -9.363 -21.685 3.144 777 H HIS 101 HN HIS 101 -10.532 -20.306 8.011 778 HA HIS 101 HA HIS 101 -10.095 -22.989 9.011 779 HB2 HIS 101 HB2 HIS 101 -12.170 -21.798 9.587 780 HB3 HIS 101 HB1 HIS 101 -12.578 -21.596 7.888 781 HD1 HIS 101 HD1 HIS 101 -13.034 -23.940 6.579 782 HD2 HIS 101 HD2 HIS 101 -13.220 -24.054 10.724 783 HE1 HIS 101 HE1 HIS 101 -14.279 -26.044 7.130 784 HE2 HIS 101 HE2 HIS 101 -14.175 -26.192 9.638 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -15.346 1.526 3.382 2 H2 MET 1 HT2 MET 1 -16.591 0.400 3.596 3 H3 MET 1 HT3 MET 1 -15.259 0.022 2.623 4 HA MET 1 HA MET 1 -15.150 0.548 5.526 5 HB2 MET 1 HB2 MET 1 -16.325 -1.625 4.766 6 HB3 MET 1 HB1 MET 1 -14.774 -2.138 4.119 7 HG2 MET 1 HG2 MET 1 -15.287 -1.489 7.034 8 HG3 MET 1 HG1 MET 1 -15.320 -3.109 6.347 9 HE1 MET 1 HE1 MET 1 -12.833 -3.049 4.290 10 HE2 MET 1 HE2 MET 1 -13.156 -4.375 5.408 11 HE3 MET 1 HE3 MET 1 -11.552 -3.636 5.344 12 H THR 2 HN THR 2 -13.051 0.610 6.367 13 HA THR 2 HA THR 2 -11.027 1.515 4.615 14 HB THR 2 HB THR 2 -11.131 2.405 6.855 15 HG1 THR 2 HG1 THR 2 -9.057 2.280 5.857 16 HG21 THR 2 HG21 THR 2 -10.388 -0.334 7.931 17 HG22 THR 2 HG22 THR 2 -11.950 0.461 8.125 18 HG23 THR 2 HG23 THR 2 -10.509 1.149 8.883 19 H SER 3 HN SER 3 -10.669 -0.066 3.095 20 HA SER 3 HA SER 3 -9.763 -2.734 3.695 21 HB2 SER 3 HB2 SER 3 -9.745 -1.162 1.080 22 HB3 SER 3 HB1 SER 3 -9.489 -2.903 1.230 23 HG SER 3 HG SER 3 -11.853 -1.468 1.924 24 H THR 4 HN THR 4 -7.606 -3.445 2.476 25 HA THR 4 HA THR 4 -5.408 -2.391 3.842 26 HB THR 4 HB THR 4 -5.202 -3.826 1.163 27 HG1 THR 4 HG1 THR 4 -5.073 -5.675 2.894 28 HG21 THR 4 HG21 THR 4 -3.130 -4.765 2.128 29 HG22 THR 4 HG22 THR 4 -3.386 -3.847 3.613 30 HG23 THR 4 HG23 THR 4 -3.061 -3.001 2.098 31 H PHE 5 HN PHE 5 -6.510 -1.742 0.491 32 HA PHE 5 HA PHE 5 -4.595 0.083 -0.356 33 HB2 PHE 5 HB2 PHE 5 -6.177 -0.619 -1.998 34 HB3 PHE 5 HB1 PHE 5 -7.552 -0.156 -1.003 35 HD1 PHE 5 HD1 PHE 5 -4.571 1.410 -2.715 36 HD2 PHE 5 HD2 PHE 5 -8.656 1.890 -1.508 37 HE1 PHE 5 HE1 PHE 5 -4.634 3.633 -3.759 38 HE2 PHE 5 HE2 PHE 5 -8.699 4.109 -2.571 39 HZ PHE 5 HZ PHE 5 -6.687 4.982 -3.686 40 H ASP 6 HN ASP 6 -7.596 0.746 1.476 41 HA ASP 6 HA ASP 6 -7.385 3.564 1.486 42 HB2 ASP 6 HB2 ASP 6 -9.498 2.308 2.016 43 HB3 ASP 6 HB1 ASP 6 -8.796 1.813 3.554 44 H ARG 7 HN ARG 7 -6.315 1.095 3.808 45 HA ARG 7 HA ARG 7 -5.337 2.721 5.849 46 HB2 ARG 7 HB2 ARG 7 -4.385 -0.007 4.896 47 HB3 ARG 7 HB1 ARG 7 -3.901 0.735 6.416 48 HG2 ARG 7 HG2 ARG 7 -6.760 -0.005 5.694 49 HG3 ARG 7 HG1 ARG 7 -5.668 -1.013 6.651 50 HD2 ARG 7 HD2 ARG 7 -6.668 1.764 7.392 51 HD3 ARG 7 HD1 ARG 7 -7.204 0.237 8.099 52 HE ARG 7 HE ARG 7 -4.667 0.060 8.696 53 HH11 ARG 7 HH11 ARG 7 -6.606 2.989 8.854 54 HH12 ARG 7 HH12 ARG 7 -5.682 3.655 10.158 55 HH21 ARG 7 HH21 ARG 7 -3.458 0.971 10.354 56 HH22 ARG 7 HH22 ARG 7 -3.899 2.512 11.004 57 H VAL 8 HN VAL 8 -3.691 1.447 2.922 58 HA VAL 8 HA VAL 8 -1.087 2.424 3.547 59 HB VAL 8 HB VAL 8 -2.292 1.569 0.872 60 HG11 VAL 8 HG11 VAL 8 0.045 1.277 0.074 61 HG12 VAL 8 HG12 VAL 8 0.651 1.968 1.581 62 HG13 VAL 8 HG13 VAL 8 -0.293 2.962 0.470 63 HG21 VAL 8 HG21 VAL 8 -1.179 -0.586 1.259 64 HG22 VAL 8 HG22 VAL 8 -2.282 -0.217 2.583 65 HG23 VAL 8 HG23 VAL 8 -0.548 -0.001 2.805 66 H ALA 9 HN ALA 9 -3.725 3.591 1.499 67 HA ALA 9 HA ALA 9 -2.473 5.777 0.258 68 HB1 ALA 9 HB1 ALA 9 -5.438 5.387 0.870 69 HB2 ALA 9 HB2 ALA 9 -4.600 4.827 -0.577 70 HB3 ALA 9 HB3 ALA 9 -4.773 6.558 -0.278 71 H THR 10 HN THR 10 -4.357 5.510 3.257 72 HA THR 10 HA THR 10 -4.287 8.197 4.074 73 HB THR 10 HB THR 10 -4.501 5.671 5.771 74 HG1 THR 10 HG1 THR 10 -6.409 5.646 4.881 75 HG21 THR 10 HG21 THR 10 -5.222 8.528 6.557 76 HG22 THR 10 HG22 THR 10 -3.855 7.613 7.199 77 HG23 THR 10 HG23 THR 10 -5.508 7.083 7.528 78 H ILE 11 HN ILE 11 -2.031 5.488 4.821 79 HA ILE 11 HA ILE 11 -0.269 6.849 6.523 80 HB ILE 11 HB ILE 11 0.317 4.563 4.586 81 HG12 ILE 11 HG12 ILE 11 -0.164 4.468 7.601 82 HG13 ILE 11 HG11 ILE 11 -1.419 4.169 6.411 83 HG21 ILE 11 HG21 ILE 11 2.334 4.090 5.986 84 HG22 ILE 11 HG22 ILE 11 2.051 5.593 6.868 85 HG23 ILE 11 HG23 ILE 11 2.443 5.638 5.148 86 HD11 ILE 11 HD11 ILE 11 1.064 2.531 6.829 87 HD12 ILE 11 HD12 ILE 11 -0.163 2.225 5.597 88 HD13 ILE 11 HD13 ILE 11 -0.575 2.109 7.309 89 H ILE 12 HN ILE 12 -0.097 6.479 2.956 90 HA ILE 12 HA ILE 12 2.259 7.916 2.452 91 HB ILE 12 HB ILE 12 -0.216 7.643 0.669 92 HG12 ILE 12 HG12 ILE 12 2.333 5.967 0.779 93 HG13 ILE 12 HG11 ILE 12 0.732 5.441 1.278 94 HG21 ILE 12 HG21 ILE 12 1.199 9.505 -0.123 95 HG22 ILE 12 HG22 ILE 12 1.269 8.157 -1.254 96 HG23 ILE 12 HG23 ILE 12 2.611 8.444 -0.147 97 HD11 ILE 12 HD11 ILE 12 -0.013 5.622 -1.073 98 HD12 ILE 12 HD12 ILE 12 1.311 4.484 -0.847 99 HD13 ILE 12 HD13 ILE 12 1.632 6.073 -1.533 100 H ALA 13 HN ALA 13 -1.126 8.956 2.466 101 HA ALA 13 HA ALA 13 -0.988 11.623 1.963 102 HB1 ALA 13 HB1 ALA 13 -2.846 10.267 3.925 103 HB2 ALA 13 HB2 ALA 13 -3.054 10.305 2.175 104 HB3 ALA 13 HB3 ALA 13 -3.131 11.801 3.104 105 H GLU 14 HN GLU 14 -0.849 10.155 5.216 106 HA GLU 14 HA GLU 14 -0.492 12.549 6.661 107 HB2 GLU 14 HB2 GLU 14 0.287 9.713 7.435 108 HB3 GLU 14 HB1 GLU 14 0.119 11.066 8.552 109 HG2 GLU 14 HG2 GLU 14 -2.087 9.747 6.944 110 HG3 GLU 14 HG1 GLU 14 -1.818 9.599 8.673 111 H THR 15 HN THR 15 1.777 10.470 5.009 112 HA THR 15 HA THR 15 4.154 11.459 6.306 113 HB THR 15 HB THR 15 3.807 9.843 3.742 114 HG1 THR 15 HG1 THR 15 3.283 8.470 5.305 115 HG21 THR 15 HG21 THR 15 6.332 10.436 5.332 116 HG22 THR 15 HG22 THR 15 5.983 10.971 3.686 117 HG23 THR 15 HG23 THR 15 6.212 9.256 4.029 118 H CYS 16 HN CYS 16 2.586 12.061 3.083 119 HA CYS 16 HA CYS 16 4.698 13.963 2.384 120 HB2 CYS 16 HB2 CYS 16 2.566 12.600 0.695 121 HB3 CYS 16 HB1 CYS 16 3.876 13.595 0.069 122 HG CYS 16 HG CYS 16 5.303 11.508 -0.415 123 H ASP 17 HN ASP 17 1.955 14.339 4.026 124 HA ASP 17 HA ASP 17 0.127 15.661 4.155 125 HB2 ASP 17 HB2 ASP 17 2.055 17.175 4.765 126 HB3 ASP 17 HB1 ASP 17 2.052 17.789 3.116 127 H ILE 18 HN ILE 18 -0.909 14.429 2.416 128 HA ILE 18 HA ILE 18 -1.828 16.120 0.192 129 HB ILE 18 HB ILE 18 -1.632 14.079 -1.414 130 HG12 ILE 18 HG12 ILE 18 0.457 13.190 0.633 131 HG13 ILE 18 HG11 ILE 18 -1.052 12.360 0.296 132 HG21 ILE 18 HG21 ILE 18 -0.274 16.094 -1.731 133 HG22 ILE 18 HG22 ILE 18 0.647 14.650 -2.151 134 HG23 ILE 18 HG23 ILE 18 0.948 15.471 -0.617 135 HD11 ILE 18 HD11 ILE 18 1.272 12.688 -1.595 136 HD12 ILE 18 HD12 ILE 18 -0.251 11.879 -1.986 137 HD13 ILE 18 HD13 ILE 18 0.803 11.223 -0.733 138 HA PRO 19 HA PRO 19 -5.761 14.168 1.366 139 HB2 PRO 19 HB2 PRO 19 -7.179 14.491 -0.992 140 HB3 PRO 19 HB1 PRO 19 -6.881 15.804 0.154 141 HG2 PRO 19 HG2 PRO 19 -5.397 15.124 -2.379 142 HG3 PRO 19 HG1 PRO 19 -5.945 16.714 -1.799 143 HD2 PRO 19 HD2 PRO 19 -3.383 15.913 -1.523 144 HD3 PRO 19 HD1 PRO 19 -4.173 16.905 -0.278 145 H ARG 20 HN ARG 20 -5.963 11.964 1.598 146 HA ARG 20 HA ARG 20 -4.518 10.130 0.023 147 HB2 ARG 20 HB2 ARG 20 -5.344 8.373 1.475 148 HB3 ARG 20 HB1 ARG 20 -4.925 9.777 2.418 149 HG2 ARG 20 HG2 ARG 20 -6.839 9.040 3.490 150 HG3 ARG 20 HG1 ARG 20 -7.488 10.285 2.426 151 HD2 ARG 20 HD2 ARG 20 -8.661 8.762 1.146 152 HD3 ARG 20 HD1 ARG 20 -7.446 7.507 1.318 153 HE ARG 20 HE ARG 20 -8.499 6.702 3.184 154 HH11 ARG 20 HH11 ARG 20 -10.032 9.784 2.395 155 HH12 ARG 20 HH12 ARG 20 -11.433 9.446 3.360 156 HH21 ARG 20 HH21 ARG 20 -10.330 6.288 4.378 157 HH22 ARG 20 HH22 ARG 20 -11.591 7.474 4.495 158 H GLU 21 HN GLU 21 -7.667 11.317 -0.466 159 HA GLU 21 HA GLU 21 -8.649 8.881 -1.777 160 HB2 GLU 21 HB2 GLU 21 -10.865 10.105 -1.879 161 HB3 GLU 21 HB1 GLU 21 -10.283 9.711 -0.270 162 HG2 GLU 21 HG2 GLU 21 -9.992 12.464 -1.519 163 HG3 GLU 21 HG1 GLU 21 -11.381 11.979 -0.551 164 H THR 22 HN THR 22 -7.052 11.769 -2.624 165 HA THR 22 HA THR 22 -7.926 11.633 -5.422 166 HB THR 22 HB THR 22 -6.253 13.402 -5.861 167 HG1 THR 22 HG1 THR 22 -5.693 13.584 -3.109 168 HG21 THR 22 HG21 THR 22 -7.230 15.217 -4.493 169 HG22 THR 22 HG22 THR 22 -7.946 14.018 -3.415 170 HG23 THR 22 HG23 THR 22 -8.480 14.123 -5.094 171 H ILE 23 HN ILE 23 -5.708 10.067 -3.322 172 HA ILE 23 HA ILE 23 -3.883 9.133 -5.388 173 HB ILE 23 HB ILE 23 -4.281 8.336 -2.453 174 HG12 ILE 23 HG12 ILE 23 -1.836 9.052 -2.247 175 HG13 ILE 23 HG11 ILE 23 -1.921 9.627 -3.905 176 HG21 ILE 23 HG21 ILE 23 -3.795 6.268 -3.647 177 HG22 ILE 23 HG22 ILE 23 -2.400 6.733 -2.676 178 HG23 ILE 23 HG23 ILE 23 -2.391 7.006 -4.420 179 HD11 ILE 23 HD11 ILE 23 -3.612 11.256 -3.236 180 HD12 ILE 23 HD12 ILE 23 -2.110 11.437 -2.330 181 HD13 ILE 23 HD13 ILE 23 -3.508 10.672 -1.573 182 H THR 24 HN THR 24 -4.866 7.954 -6.932 183 HA THR 24 HA THR 24 -7.199 6.300 -6.515 184 HB THR 24 HB THR 24 -6.970 5.772 -8.935 185 HG1 THR 24 HG1 THR 24 -4.390 6.580 -8.490 186 HG21 THR 24 HG21 THR 24 -6.439 8.727 -8.423 187 HG22 THR 24 HG22 THR 24 -8.022 7.949 -8.364 188 HG23 THR 24 HG23 THR 24 -7.143 8.043 -9.890 189 HA PRO 25 HA PRO 25 -5.032 2.354 -5.808 190 HB2 PRO 25 HB2 PRO 25 -6.537 0.583 -7.339 191 HB3 PRO 25 HB1 PRO 25 -7.008 1.160 -5.735 192 HG2 PRO 25 HG2 PRO 25 -7.889 2.146 -8.442 193 HG3 PRO 25 HG1 PRO 25 -8.861 1.864 -6.982 194 HD2 PRO 25 HD2 PRO 25 -8.085 4.348 -7.703 195 HD3 PRO 25 HD1 PRO 25 -8.192 3.877 -5.994 196 H GLU 26 HN GLU 26 -5.359 3.774 -8.974 197 HA GLU 26 HA GLU 26 -3.325 1.969 -10.135 198 HB2 GLU 26 HB2 GLU 26 -3.952 2.943 -12.318 199 HB3 GLU 26 HB1 GLU 26 -5.342 2.238 -11.499 200 HG2 GLU 26 HG2 GLU 26 -6.096 4.488 -10.823 201 HG3 GLU 26 HG1 GLU 26 -4.706 5.207 -11.635 202 H SER 27 HN SER 27 -3.213 4.521 -8.183 203 HA SER 27 HA SER 27 -1.483 6.363 -9.561 204 HB2 SER 27 HB2 SER 27 -2.080 5.962 -6.596 205 HB3 SER 27 HB1 SER 27 -0.926 7.167 -7.174 206 HG SER 27 HG SER 27 -2.515 8.307 -8.048 207 H HIS 28 HN HIS 28 0.563 6.009 -10.069 208 HA HIS 28 HA HIS 28 2.212 3.978 -8.807 209 HB2 HIS 28 HB2 HIS 28 2.288 4.669 -11.288 210 HB3 HIS 28 HB1 HIS 28 3.109 6.132 -10.757 211 HD2 HIS 28 HD2 HIS 28 3.870 2.650 -11.799 212 HE1 HIS 28 HE1 HIS 28 7.275 3.939 -9.668 213 HE2 HIS 28 HE2 HIS 28 6.406 2.354 -11.430 214 H ALA 29 HN ALA 29 3.132 4.465 -6.833 215 HA ALA 29 HA ALA 29 3.232 6.779 -5.438 216 HB1 ALA 29 HB1 ALA 29 5.011 5.746 -4.085 217 HB2 ALA 29 HB2 ALA 29 5.316 4.570 -5.369 218 HB3 ALA 29 HB3 ALA 29 3.772 4.566 -4.513 219 H ILE 30 HN ILE 30 5.592 5.830 -7.943 220 HA ILE 30 HA ILE 30 7.429 7.996 -7.108 221 HB ILE 30 HB ILE 30 7.909 5.628 -8.977 222 HG12 ILE 30 HG12 ILE 30 8.902 6.142 -6.129 223 HG13 ILE 30 HG11 ILE 30 7.685 4.957 -6.590 224 HG21 ILE 30 HG21 ILE 30 10.301 6.273 -8.957 225 HG22 ILE 30 HG22 ILE 30 9.905 7.721 -8.030 226 HG23 ILE 30 HG23 ILE 30 9.296 7.533 -9.675 227 HD11 ILE 30 HD11 ILE 30 10.605 4.906 -7.356 228 HD12 ILE 30 HD12 ILE 30 9.393 3.722 -7.858 229 HD13 ILE 30 HD13 ILE 30 9.808 3.895 -6.154 230 H ASP 31 HN ASP 31 5.792 6.685 -10.002 231 HA ASP 31 HA ASP 31 6.793 8.765 -11.746 232 HB2 ASP 31 HB2 ASP 31 6.642 6.442 -12.554 233 HB3 ASP 31 HB1 ASP 31 4.903 6.439 -12.292 234 H ASP 32 HN ASP 32 3.691 7.950 -10.239 235 HA ASP 32 HA ASP 32 2.245 10.044 -11.727 236 HB2 ASP 32 HB2 ASP 32 1.159 7.848 -11.532 237 HB3 ASP 32 HB1 ASP 32 1.278 7.901 -9.782 238 H LEU 33 HN LEU 33 2.666 9.066 -8.303 239 HA LEU 33 HA LEU 33 1.657 11.529 -7.243 240 HB2 LEU 33 HB2 LEU 33 3.095 9.239 -5.851 241 HB3 LEU 33 HB1 LEU 33 2.255 10.550 -5.036 242 HG LEU 33 HG LEU 33 0.948 8.422 -6.793 243 HD11 LEU 33 HD11 LEU 33 1.700 7.498 -4.656 244 HD12 LEU 33 HD12 LEU 33 -0.059 7.577 -4.722 245 HD13 LEU 33 HD13 LEU 33 0.844 8.766 -3.778 246 HD21 LEU 33 HD21 LEU 33 -0.266 10.531 -6.983 247 HD22 LEU 33 HD22 LEU 33 -0.350 10.681 -5.225 248 HD23 LEU 33 HD23 LEU 33 -1.206 9.373 -6.048 249 H GLY 34 HN GLY 34 4.698 10.631 -8.463 250 HA2 GLY 34 HA2 GLY 34 6.695 11.748 -8.656 251 HA3 GLY 34 HA1 GLY 34 5.871 13.159 -8.018 252 H ILE 35 HN ILE 35 6.209 10.124 -6.236 253 HA ILE 35 HA ILE 35 7.640 11.500 -4.075 254 HB ILE 35 HB ILE 35 6.533 8.655 -4.230 255 HG12 ILE 35 HG12 ILE 35 5.365 11.052 -2.751 256 HG13 ILE 35 HG11 ILE 35 4.794 10.510 -4.321 257 HG21 ILE 35 HG21 ILE 35 6.850 8.575 -1.778 258 HG22 ILE 35 HG22 ILE 35 7.590 10.175 -1.815 259 HG23 ILE 35 HG23 ILE 35 8.387 8.813 -2.609 260 HD11 ILE 35 HD11 ILE 35 3.319 9.753 -2.594 261 HD12 ILE 35 HD12 ILE 35 4.647 8.993 -1.725 262 HD13 ILE 35 HD13 ILE 35 4.140 8.357 -3.292 263 H ASP 36 HN ASP 36 9.829 11.344 -3.924 264 HA ASP 36 HA ASP 36 11.510 9.917 -5.665 265 HB2 ASP 36 HB2 ASP 36 12.167 10.879 -2.839 266 HB3 ASP 36 HB1 ASP 36 13.334 10.500 -4.101 267 H SER 37 HN SER 37 12.731 7.982 -5.393 268 HA SER 37 HA SER 37 11.500 5.807 -4.114 269 HB2 SER 37 HB2 SER 37 14.401 6.031 -5.015 270 HB3 SER 37 HB1 SER 37 13.506 4.531 -4.752 271 HG SER 37 HG SER 37 13.277 6.421 -6.807 272 H LEU 38 HN LEU 38 14.046 7.998 -3.021 273 HA LEU 38 HA LEU 38 14.797 6.472 -0.695 274 HB2 LEU 38 HB2 LEU 38 16.115 8.561 -0.097 275 HB3 LEU 38 HB1 LEU 38 16.535 7.759 -1.594 276 HG LEU 38 HG LEU 38 15.136 9.595 -2.792 277 HD11 LEU 38 HD11 LEU 38 13.937 10.525 -0.872 278 HD12 LEU 38 HD12 LEU 38 14.926 11.757 -1.647 279 HD13 LEU 38 HD13 LEU 38 15.462 11.021 -0.134 280 HD21 LEU 38 HD21 LEU 38 17.700 10.400 -1.375 281 HD22 LEU 38 HD22 LEU 38 17.040 11.147 -2.833 282 HD23 LEU 38 HD23 LEU 38 17.594 9.477 -2.876 283 H ASP 39 HN ASP 39 12.550 9.036 -1.428 284 HA ASP 39 HA ASP 39 11.810 9.708 1.266 285 HB2 ASP 39 HB2 ASP 39 11.461 11.211 -0.748 286 HB3 ASP 39 HB1 ASP 39 10.219 10.109 -1.322 287 H PHE 40 HN PHE 40 10.754 7.422 -1.169 288 HA PHE 40 HA PHE 40 8.325 6.601 0.067 289 HB2 PHE 40 HB2 PHE 40 8.774 6.432 -2.398 290 HB3 PHE 40 HB1 PHE 40 9.957 5.168 -2.073 291 HD1 PHE 40 HD1 PHE 40 6.353 6.003 -1.446 292 HD2 PHE 40 HD2 PHE 40 9.225 2.904 -2.118 293 HE1 PHE 40 HE1 PHE 40 4.557 4.336 -1.447 294 HE2 PHE 40 HE2 PHE 40 7.405 1.243 -2.126 295 HZ PHE 40 HZ PHE 40 5.081 1.955 -1.784 296 H LEU 41 HN LEU 41 11.696 5.633 0.410 297 HA LEU 41 HA LEU 41 11.465 3.193 1.774 298 HB2 LEU 41 HB2 LEU 41 13.380 5.458 2.483 299 HB3 LEU 41 HB1 LEU 41 13.565 3.773 2.952 300 HG LEU 41 HG LEU 41 13.807 4.928 0.146 301 HD11 LEU 41 HD11 LEU 41 15.758 5.323 1.581 302 HD12 LEU 41 HD12 LEU 41 16.138 4.206 0.275 303 HD13 LEU 41 HD13 LEU 41 15.885 3.591 1.912 304 HD21 LEU 41 HD21 LEU 41 13.974 2.012 0.971 305 HD22 LEU 41 HD22 LEU 41 14.372 2.662 -0.623 306 HD23 LEU 41 HD23 LEU 41 12.719 2.754 -0.028 307 H ASP 42 HN ASP 42 11.070 6.500 2.954 308 HA ASP 42 HA ASP 42 10.621 5.839 5.723 309 HB2 ASP 42 HB2 ASP 42 10.120 8.418 4.181 310 HB3 ASP 42 HB1 ASP 42 9.940 8.265 5.927 311 H ILE 43 HN ILE 43 8.529 6.407 2.920 312 HA ILE 43 HA ILE 43 6.041 6.423 4.312 313 HB ILE 43 HB ILE 43 6.659 5.542 1.449 314 HG12 ILE 43 HG12 ILE 43 5.695 8.206 2.594 315 HG13 ILE 43 HG11 ILE 43 7.237 7.900 1.804 316 HG21 ILE 43 HG21 ILE 43 4.523 4.562 2.186 317 HG22 ILE 43 HG22 ILE 43 4.256 5.809 0.972 318 HG23 ILE 43 HG23 ILE 43 3.941 6.156 2.674 319 HD11 ILE 43 HD11 ILE 43 6.026 7.507 -0.307 320 HD12 ILE 43 HD12 ILE 43 5.771 9.121 0.358 321 HD13 ILE 43 HD13 ILE 43 4.514 7.895 0.516 322 H ALA 44 HN ALA 44 7.984 3.820 2.847 323 HA ALA 44 HA ALA 44 6.177 1.670 3.374 324 HB1 ALA 44 HB1 ALA 44 8.052 0.231 2.661 325 HB2 ALA 44 HB2 ALA 44 9.146 1.615 2.728 326 HB3 ALA 44 HB3 ALA 44 7.833 1.588 1.551 327 H PHE 45 HN PHE 45 8.872 3.102 5.090 328 HA PHE 45 HA PHE 45 9.210 1.431 7.285 329 HB2 PHE 45 HB2 PHE 45 10.699 3.274 6.843 330 HB3 PHE 45 HB1 PHE 45 9.385 4.418 6.923 331 HD1 PHE 45 HD2 PHE 45 8.520 5.204 9.114 332 HD2 PHE 45 HD1 PHE 45 11.829 2.506 8.876 333 HE1 PHE 45 HE2 PHE 45 9.125 5.732 11.434 334 HE2 PHE 45 HE1 PHE 45 12.428 3.055 11.195 335 HZ PHE 45 HZ PHE 45 11.081 4.663 12.476 336 H ALA 46 HN ALA 46 6.978 4.171 6.895 337 HA ALA 46 HA ALA 46 5.654 3.909 9.401 338 HB1 ALA 46 HB1 ALA 46 4.727 5.310 6.874 339 HB2 ALA 46 HB2 ALA 46 5.709 6.030 8.152 340 HB3 ALA 46 HB3 ALA 46 4.048 5.537 8.490 341 H ILE 47 HN ILE 47 5.066 2.590 6.176 342 HA ILE 47 HA ILE 47 2.478 1.508 6.624 343 HB ILE 47 HB ILE 47 4.632 0.743 4.607 344 HG12 ILE 47 HG12 ILE 47 2.015 2.275 4.211 345 HG13 ILE 47 HG11 ILE 47 3.607 3.016 4.326 346 HG21 ILE 47 HG21 ILE 47 1.760 -0.259 4.672 347 HG22 ILE 47 HG22 ILE 47 3.200 -1.228 4.984 348 HG23 ILE 47 HG23 ILE 47 2.928 -0.555 3.381 349 HD11 ILE 47 HD11 ILE 47 2.706 1.122 2.148 350 HD12 ILE 47 HD12 ILE 47 4.287 1.903 2.258 351 HD13 ILE 47 HD13 ILE 47 2.837 2.876 2.023 352 H ASP 48 HN ASP 48 5.745 0.064 6.841 353 HA ASP 48 HA ASP 48 4.856 -2.587 7.188 354 HB2 ASP 48 HB2 ASP 48 7.095 -3.252 7.313 355 HB3 ASP 48 HB1 ASP 48 7.209 -1.758 6.400 356 H LYS 49 HN LYS 49 5.674 -0.044 9.477 357 HA LYS 49 HA LYS 49 5.361 -1.747 11.810 358 HB2 LYS 49 HB2 LYS 49 5.771 1.246 11.491 359 HB3 LYS 49 HB1 LYS 49 5.699 0.438 13.063 360 HG2 LYS 49 HG2 LYS 49 7.643 -0.880 12.578 361 HG3 LYS 49 HG1 LYS 49 7.632 -0.381 10.883 362 HD2 LYS 49 HD2 LYS 49 8.159 1.947 11.597 363 HD3 LYS 49 HD1 LYS 49 8.266 1.386 13.274 364 HE2 LYS 49 HE2 LYS 49 10.493 1.554 12.129 365 HE3 LYS 49 HE1 LYS 49 10.135 -0.067 12.720 366 HZ1 LYS 49 HZ1 LYS 49 9.548 -0.750 10.501 367 HZ2 LYS 49 HZ2 LYS 49 11.076 -0.027 10.474 368 HZ3 LYS 49 HZ3 LYS 49 9.737 0.829 9.915 369 H ALA 50 HN ALA 50 3.276 0.559 10.058 370 HA ALA 50 HA ALA 50 1.137 0.650 11.877 371 HB1 ALA 50 HB1 ALA 50 1.005 0.770 8.842 372 HB2 ALA 50 HB2 ALA 50 1.294 2.137 9.918 373 HB3 ALA 50 HB3 ALA 50 -0.260 1.303 9.956 374 H PHE 51 HN PHE 51 1.728 -1.591 9.175 375 HA PHE 51 HA PHE 51 -0.601 -3.221 9.759 376 HB2 PHE 51 HB2 PHE 51 1.610 -3.459 7.691 377 HB3 PHE 51 HB1 PHE 51 0.333 -4.660 7.856 378 HD1 PHE 51 HD1 PHE 51 -2.009 -4.101 7.279 379 HD2 PHE 51 HD2 PHE 51 1.136 -1.273 6.686 380 HE1 PHE 51 HE1 PHE 51 -3.458 -2.789 5.791 381 HE2 PHE 51 HE2 PHE 51 -0.322 0.027 5.201 382 HZ PHE 51 HZ PHE 51 -2.611 -0.733 4.750 383 H GLY 52 HN GLY 52 2.624 -3.143 10.895 384 HA2 GLY 52 HA2 GLY 52 3.882 -4.546 12.197 385 HA3 GLY 52 HA1 GLY 52 2.427 -5.493 12.468 386 H ILE 53 HN ILE 53 3.983 -4.809 9.402 387 HA ILE 53 HA ILE 53 4.623 -7.667 8.966 388 HB ILE 53 HB ILE 53 4.314 -7.251 6.527 389 HG12 ILE 53 HG12 ILE 53 3.159 -4.524 7.296 390 HG13 ILE 53 HG11 ILE 53 4.767 -4.726 6.619 391 HG21 ILE 53 HG21 ILE 53 2.448 -8.163 7.833 392 HG22 ILE 53 HG22 ILE 53 1.849 -7.133 6.532 393 HG23 ILE 53 HG23 ILE 53 1.877 -6.530 8.193 394 HD11 ILE 53 HD11 ILE 53 3.191 -4.019 4.945 395 HD12 ILE 53 HD12 ILE 53 2.147 -5.397 5.282 396 HD13 ILE 53 HD13 ILE 53 3.749 -5.650 4.579 397 H LYS 54 HN LYS 54 6.318 -7.931 7.213 398 HA LYS 54 HA LYS 54 8.522 -5.968 7.447 399 HB2 LYS 54 HB2 LYS 54 8.712 -8.996 7.014 400 HB3 LYS 54 HB1 LYS 54 10.082 -7.883 7.020 401 HG2 LYS 54 HG2 LYS 54 9.560 -7.310 9.393 402 HG3 LYS 54 HG1 LYS 54 8.259 -8.505 9.372 403 HD2 LYS 54 HD2 LYS 54 9.910 -10.293 8.940 404 HD3 LYS 54 HD1 LYS 54 11.215 -9.102 8.929 405 HE2 LYS 54 HE2 LYS 54 10.739 -8.572 11.305 406 HE3 LYS 54 HE1 LYS 54 9.433 -9.758 11.311 407 HZ1 LYS 54 HZ1 LYS 54 11.055 -11.480 10.856 408 HZ2 LYS 54 HZ2 LYS 54 11.436 -10.652 12.277 409 HZ3 LYS 54 HZ3 LYS 54 12.305 -10.345 10.856 410 H LEU 55 HN LEU 55 8.053 -4.746 5.655 411 HA LEU 55 HA LEU 55 7.463 -5.817 3.059 412 HB2 LEU 55 HB2 LEU 55 8.374 -3.072 3.986 413 HB3 LEU 55 HB1 LEU 55 8.053 -3.440 2.297 414 HG LEU 55 HG LEU 55 5.981 -3.581 4.533 415 HD11 LEU 55 HD11 LEU 55 6.616 -1.261 4.069 416 HD12 LEU 55 HD12 LEU 55 4.995 -1.586 3.464 417 HD13 LEU 55 HD13 LEU 55 6.353 -1.507 2.339 418 HD21 LEU 55 HD21 LEU 55 5.551 -5.206 2.711 419 HD22 LEU 55 HD22 LEU 55 5.626 -3.900 1.527 420 HD23 LEU 55 HD23 LEU 55 4.346 -3.924 2.739 421 HA PRO 56 HA PRO 56 11.906 -6.432 2.010 422 HB2 PRO 56 HB2 PRO 56 11.532 -8.005 -0.161 423 HB3 PRO 56 HB1 PRO 56 11.327 -8.641 1.478 424 HG2 PRO 56 HG2 PRO 56 9.236 -7.759 -0.497 425 HG3 PRO 56 HG1 PRO 56 9.233 -9.175 0.576 426 HD2 PRO 56 HD2 PRO 56 7.904 -6.793 1.122 427 HD3 PRO 56 HD1 PRO 56 8.419 -7.956 2.365 428 H LEU 57 HN LEU 57 11.125 -3.996 1.659 429 HA LEU 57 HA LEU 57 10.308 -3.071 -0.894 430 HB2 LEU 57 HB2 LEU 57 10.177 -1.927 1.481 431 HB3 LEU 57 HB1 LEU 57 11.795 -1.362 1.148 432 HG LEU 57 HG LEU 57 10.039 0.353 0.728 433 HD11 LEU 57 HD11 LEU 57 12.146 0.574 -0.466 434 HD12 LEU 57 HD12 LEU 57 10.800 1.194 -1.421 435 HD13 LEU 57 HD13 LEU 57 11.509 -0.378 -1.807 436 HD21 LEU 57 HD21 LEU 57 8.239 -1.124 0.001 437 HD22 LEU 57 HD22 LEU 57 9.095 -1.455 -1.509 438 HD23 LEU 57 HD23 LEU 57 8.506 0.174 -1.160 439 H GLU 58 HN GLU 58 13.486 -3.359 0.681 440 HA GLU 58 HA GLU 58 15.080 -2.159 -1.313 441 HB2 GLU 58 HB2 GLU 58 16.991 -3.300 -0.241 442 HB3 GLU 58 HB1 GLU 58 15.930 -2.565 0.955 443 HG2 GLU 58 HG2 GLU 58 14.963 -4.732 1.518 444 HG3 GLU 58 HG1 GLU 58 15.878 -5.513 0.232 445 H LYS 59 HN LYS 59 13.927 -5.486 -0.902 446 HA LYS 59 HA LYS 59 15.496 -6.690 -2.943 447 HB2 LYS 59 HB2 LYS 59 14.426 -7.867 -0.977 448 HB3 LYS 59 HB1 LYS 59 12.855 -7.635 -1.726 449 HG2 LYS 59 HG2 LYS 59 13.679 -9.910 -2.057 450 HG3 LYS 59 HG1 LYS 59 13.522 -9.073 -3.607 451 HD2 LYS 59 HD2 LYS 59 15.910 -8.765 -3.773 452 HD3 LYS 59 HD1 LYS 59 16.158 -9.271 -2.100 453 HE2 LYS 59 HE2 LYS 59 16.813 -11.027 -3.707 454 HE3 LYS 59 HE1 LYS 59 15.508 -11.553 -2.647 455 HZ1 LYS 59 HZ1 LYS 59 15.247 -10.678 -5.474 456 HZ2 LYS 59 HZ2 LYS 59 13.944 -11.057 -4.467 457 HZ3 LYS 59 HZ3 LYS 59 15.070 -12.251 -4.877 458 H TRP 60 HN TRP 60 12.244 -5.307 -2.800 459 HA TRP 60 HA TRP 60 11.359 -5.930 -5.402 460 HB2 TRP 60 HB2 TRP 60 10.584 -3.620 -3.572 461 HB3 TRP 60 HB1 TRP 60 9.746 -4.008 -5.073 462 HD1 TRP 60 HD1 TRP 60 10.151 -7.336 -4.135 463 HE1 TRP 60 HE1 TRP 60 8.277 -8.216 -2.626 464 HE3 TRP 60 HE3 TRP 60 8.244 -2.869 -2.511 465 HZ2 TRP 60 HZ2 TRP 60 6.261 -7.182 -0.975 466 HZ3 TRP 60 HZ3 TRP 60 6.333 -2.905 -0.956 467 HH2 TRP 60 HH2 TRP 60 5.363 -5.024 -0.203 468 H THR 61 HN THR 61 12.874 -3.010 -4.080 469 HA THR 61 HA THR 61 13.005 -1.495 -6.453 470 HB THR 61 HB THR 61 14.739 -1.285 -3.951 471 HG1 THR 61 HG1 THR 61 12.890 -0.716 -3.107 472 HG21 THR 61 HG21 THR 61 14.145 0.814 -6.068 473 HG22 THR 61 HG22 THR 61 15.703 0.025 -5.816 474 HG23 THR 61 HG23 THR 61 15.040 1.089 -4.573 475 H GLN 62 HN GLN 62 15.157 -3.919 -5.041 476 HA GLN 62 HA GLN 62 17.483 -3.464 -6.590 477 HB2 GLN 62 HB2 GLN 62 17.614 -4.808 -4.552 478 HB3 GLN 62 HB1 GLN 62 16.421 -5.943 -5.168 479 HG2 GLN 62 HG2 GLN 62 18.065 -6.601 -6.955 480 HG3 GLN 62 HG1 GLN 62 19.268 -5.585 -6.163 481 HE21 GLN 62 HE21 GLN 62 20.148 -6.279 -4.177 482 HE22 GLN 62 HE22 GLN 62 19.958 -7.893 -3.601 483 H GLU 63 HN GLU 63 14.887 -5.899 -6.910 484 HA GLU 63 HA GLU 63 15.794 -7.014 -9.361 485 HB2 GLU 63 HB2 GLU 63 13.079 -7.167 -7.991 486 HB3 GLU 63 HB1 GLU 63 13.553 -8.155 -9.375 487 HG2 GLU 63 HG2 GLU 63 15.382 -9.144 -8.039 488 HG3 GLU 63 HG1 GLU 63 14.890 -8.172 -6.646 489 H VAL 64 HN VAL 64 13.538 -4.431 -8.612 490 HA VAL 64 HA VAL 64 12.366 -4.053 -11.140 491 HB VAL 64 HB VAL 64 12.745 -2.243 -8.731 492 HG11 VAL 64 HG11 VAL 64 12.966 -0.676 -10.591 493 HG12 VAL 64 HG12 VAL 64 11.383 -0.471 -9.842 494 HG13 VAL 64 HG13 VAL 64 11.526 -1.341 -11.371 495 HG21 VAL 64 HG21 VAL 64 10.263 -2.341 -8.653 496 HG22 VAL 64 HG22 VAL 64 10.972 -3.959 -8.641 497 HG23 VAL 64 HG23 VAL 64 10.256 -3.322 -10.125 498 H ASN 65 HN ASN 65 15.182 -2.393 -9.650 499 HA ASN 65 HA ASN 65 15.866 -1.056 -12.123 500 HB2 ASN 65 HB2 ASN 65 17.182 -1.131 -9.374 501 HB3 ASN 65 HB1 ASN 65 17.900 -0.275 -10.742 502 HD21 ASN 65 HD21 ASN 65 15.361 -0.233 -8.374 503 HD22 ASN 65 HD22 ASN 65 14.740 1.329 -8.753 504 H ASP 66 HN ASP 66 16.476 -4.196 -10.943 505 HA ASP 66 HA ASP 66 18.963 -4.566 -12.449 506 HB2 ASP 66 HB2 ASP 66 18.573 -5.643 -10.195 507 HB3 ASP 66 HB1 ASP 66 17.264 -6.581 -10.898 508 H GLY 67 HN GLY 67 15.772 -4.310 -13.298 509 HA2 GLY 67 HA2 GLY 67 14.620 -4.821 -15.190 510 HA3 GLY 67 HA1 GLY 67 16.038 -5.640 -15.805 511 H LYS 68 HN LYS 68 15.222 -7.086 -12.856 512 HA LYS 68 HA LYS 68 14.030 -9.426 -14.025 513 HB2 LYS 68 HB2 LYS 68 14.277 -8.507 -11.135 514 HB3 LYS 68 HB1 LYS 68 13.602 -10.066 -11.604 515 HG2 LYS 68 HG2 LYS 68 15.780 -10.660 -12.650 516 HG3 LYS 68 HG1 LYS 68 16.456 -9.130 -12.070 517 HD2 LYS 68 HD2 LYS 68 16.181 -9.782 -9.769 518 HD3 LYS 68 HD1 LYS 68 15.188 -11.172 -10.206 519 HE2 LYS 68 HE2 LYS 68 17.349 -12.002 -9.617 520 HE3 LYS 68 HE1 LYS 68 17.194 -12.133 -11.369 521 HZ1 LYS 68 HZ1 LYS 68 18.596 -9.941 -9.967 522 HZ2 LYS 68 HZ2 LYS 68 18.544 -10.202 -11.635 523 HZ3 LYS 68 HZ3 LYS 68 19.351 -11.297 -10.634 524 H ALA 69 HN ALA 69 12.849 -6.494 -12.561 525 HA ALA 69 HA ALA 69 10.052 -7.144 -13.225 526 HB1 ALA 69 HB1 ALA 69 10.313 -7.671 -10.813 527 HB2 ALA 69 HB2 ALA 69 9.284 -6.256 -11.039 528 HB3 ALA 69 HB3 ALA 69 10.961 -6.056 -10.516 529 H THR 70 HN THR 70 8.749 -5.159 -13.366 530 HA THR 70 HA THR 70 10.296 -2.701 -13.922 531 HB THR 70 HB THR 70 8.071 -1.997 -15.048 532 HG1 THR 70 HG1 THR 70 6.508 -3.390 -15.098 533 HG21 THR 70 HG21 THR 70 8.534 -3.214 -17.127 534 HG22 THR 70 HG22 THR 70 9.554 -4.356 -16.250 535 HG23 THR 70 HG23 THR 70 10.038 -2.663 -16.381 536 H THR 71 HN THR 71 9.111 -0.629 -13.321 537 HA THR 71 HA THR 71 9.174 -0.561 -10.522 538 HB THR 71 HB THR 71 8.505 1.842 -10.705 539 HG1 THR 71 HG1 THR 71 8.503 1.772 -13.481 540 HG21 THR 71 HG21 THR 71 10.377 2.631 -12.113 541 HG22 THR 71 HG22 THR 71 10.545 1.012 -12.797 542 HG23 THR 71 HG23 THR 71 10.872 1.286 -11.086 543 H GLU 72 HN GLU 72 6.339 -0.114 -12.695 544 HA GLU 72 HA GLU 72 4.515 0.586 -10.754 545 HB2 GLU 72 HB2 GLU 72 2.825 0.455 -12.377 546 HB3 GLU 72 HB1 GLU 72 4.283 0.768 -13.302 547 HG2 GLU 72 HG2 GLU 72 2.859 -1.892 -13.025 548 HG3 GLU 72 HG1 GLU 72 2.771 -0.816 -14.416 549 H GLN 73 HN GLN 73 5.511 -2.648 -11.648 550 HA GLN 73 HA GLN 73 3.560 -4.299 -10.638 551 HB2 GLN 73 HB2 GLN 73 6.577 -4.674 -10.502 552 HB3 GLN 73 HB1 GLN 73 5.422 -5.951 -10.133 553 HG2 GLN 73 HG2 GLN 73 4.560 -5.822 -12.444 554 HG3 GLN 73 HG1 GLN 73 5.740 -4.562 -12.809 555 HE21 GLN 73 HE21 GLN 73 6.698 -5.837 -14.426 556 HE22 GLN 73 HE22 GLN 73 7.682 -7.206 -14.059 557 H TYR 74 HN TYR 74 5.949 -2.504 -8.724 558 HA TYR 74 HA TYR 74 4.688 -3.538 -6.231 559 HB2 TYR 74 HB2 TYR 74 7.594 -2.713 -6.700 560 HB3 TYR 74 HB1 TYR 74 6.917 -3.176 -5.138 561 HD1 TYR 74 HD2 TYR 74 5.949 -5.526 -4.872 562 HD2 TYR 74 HD1 TYR 74 8.382 -4.423 -8.212 563 HE1 TYR 74 HE2 TYR 74 6.364 -7.891 -5.347 564 HE2 TYR 74 HE1 TYR 74 8.789 -6.801 -8.692 565 HH TYR 74 HH TYR 74 8.787 -8.937 -7.456 566 H PHE 75 HN PHE 75 5.368 -0.691 -8.101 567 HA PHE 75 HA PHE 75 5.111 1.034 -5.709 568 HB2 PHE 75 HB2 PHE 75 6.530 1.574 -8.364 569 HB3 PHE 75 HB1 PHE 75 6.385 2.729 -7.041 570 HD1 PHE 75 HD1 PHE 75 7.449 2.110 -4.771 571 HD2 PHE 75 HD2 PHE 75 8.353 0.002 -8.379 572 HE1 PHE 75 HE1 PHE 75 9.492 1.207 -3.746 573 HE2 PHE 75 HE2 PHE 75 10.388 -0.899 -7.343 574 HZ PHE 75 HZ PHE 75 10.958 -0.299 -5.026 575 H VAL 76 HN VAL 76 3.023 -0.204 -7.693 576 HA VAL 76 HA VAL 76 1.449 2.322 -7.831 577 HB VAL 76 HB VAL 76 1.018 -0.338 -9.264 578 HG11 VAL 76 HG11 VAL 76 -1.100 0.567 -10.183 579 HG12 VAL 76 HG12 VAL 76 -0.960 1.967 -9.117 580 HG13 VAL 76 HG13 VAL 76 -1.185 0.356 -8.433 581 HG21 VAL 76 HG21 VAL 76 1.036 1.040 -11.310 582 HG22 VAL 76 HG22 VAL 76 2.530 1.228 -10.392 583 HG23 VAL 76 HG23 VAL 76 1.302 2.493 -10.333 584 H LEU 77 HN LEU 77 -0.479 2.403 -6.692 585 HA LEU 77 HA LEU 77 -0.379 1.454 -4.110 586 HB2 LEU 77 HB2 LEU 77 -2.322 3.017 -5.730 587 HB3 LEU 77 HB1 LEU 77 -3.022 2.247 -4.327 588 HG LEU 77 HG LEU 77 -2.336 4.570 -3.878 589 HD11 LEU 77 HD11 LEU 77 -2.478 2.986 -2.042 590 HD12 LEU 77 HD12 LEU 77 -1.211 4.175 -1.752 591 HD13 LEU 77 HD13 LEU 77 -0.785 2.537 -2.262 592 HD21 LEU 77 HD21 LEU 77 0.020 5.221 -3.729 593 HD22 LEU 77 HD22 LEU 77 -0.390 4.728 -5.369 594 HD23 LEU 77 HD23 LEU 77 0.520 3.632 -4.325 595 H LYS 78 HN LYS 78 -2.380 0.149 -6.768 596 HA LYS 78 HA LYS 78 -3.893 -1.650 -5.150 597 HB2 LYS 78 HB2 LYS 78 -4.549 -2.744 -7.297 598 HB3 LYS 78 HB1 LYS 78 -4.717 -0.991 -7.361 599 HG2 LYS 78 HG2 LYS 78 -2.520 -0.880 -8.556 600 HG3 LYS 78 HG1 LYS 78 -2.498 -2.645 -8.599 601 HD2 LYS 78 HD2 LYS 78 -4.544 -2.647 -9.973 602 HD3 LYS 78 HD1 LYS 78 -4.638 -0.884 -9.874 603 HE2 LYS 78 HE2 LYS 78 -2.470 -0.714 -11.080 604 HE3 LYS 78 HE1 LYS 78 -2.400 -2.474 -11.182 605 HZ1 LYS 78 HZ1 LYS 78 -4.481 -0.754 -12.409 606 HZ2 LYS 78 HZ2 LYS 78 -4.426 -2.442 -12.502 607 HZ3 LYS 78 HZ3 LYS 78 -3.210 -1.514 -13.226 608 H ASN 79 HN ASN 79 -0.835 -1.936 -6.842 609 HA ASN 79 HA ASN 79 -0.524 -4.784 -6.470 610 HB2 ASN 79 HB2 ASN 79 1.454 -2.666 -7.410 611 HB3 ASN 79 HB1 ASN 79 1.696 -4.407 -7.513 612 HD21 ASN 79 HD21 ASN 79 1.730 -2.556 -9.691 613 HD22 ASN 79 HD22 ASN 79 0.477 -3.010 -10.775 614 H LEU 80 HN LEU 80 0.696 -1.846 -5.019 615 HA LEU 80 HA LEU 80 2.648 -2.901 -3.286 616 HB2 LEU 80 HB2 LEU 80 2.533 -0.491 -3.885 617 HB3 LEU 80 HB1 LEU 80 0.983 -0.351 -3.074 618 HG LEU 80 HG LEU 80 2.143 -0.878 -0.889 619 HD11 LEU 80 HD11 LEU 80 4.106 -2.069 -1.728 620 HD12 LEU 80 HD12 LEU 80 4.584 -0.694 -0.736 621 HD13 LEU 80 HD13 LEU 80 4.698 -0.590 -2.495 622 HD21 LEU 80 HD21 LEU 80 1.604 1.437 -1.513 623 HD22 LEU 80 HD22 LEU 80 3.161 1.586 -2.335 624 HD23 LEU 80 HD23 LEU 80 3.103 1.353 -0.587 625 H ALA 81 HN ALA 81 -0.732 -1.881 -2.758 626 HA ALA 81 HA ALA 81 -0.958 -2.805 -0.079 627 HB1 ALA 81 HB1 ALA 81 -2.392 -1.026 -0.972 628 HB2 ALA 81 HB2 ALA 81 -3.357 -2.350 -0.311 629 HB3 ALA 81 HB3 ALA 81 -3.166 -2.182 -2.060 630 H ALA 82 HN ALA 82 -1.352 -4.399 -3.174 631 HA ALA 82 HA ALA 82 -2.680 -6.753 -2.311 632 HB1 ALA 82 HB1 ALA 82 -2.370 -6.203 -4.699 633 HB2 ALA 82 HB2 ALA 82 -1.751 -7.812 -4.323 634 HB3 ALA 82 HB3 ALA 82 -0.631 -6.462 -4.539 635 H ARG 83 HN ARG 83 0.800 -6.022 -2.724 636 HA ARG 83 HA ARG 83 1.837 -8.439 -1.725 637 HB2 ARG 83 HB2 ARG 83 3.139 -5.686 -1.689 638 HB3 ARG 83 HB1 ARG 83 3.988 -7.210 -1.465 639 HG2 ARG 83 HG2 ARG 83 2.662 -6.206 -4.004 640 HG3 ARG 83 HG1 ARG 83 4.391 -6.403 -3.700 641 HD2 ARG 83 HD2 ARG 83 2.334 -8.639 -3.869 642 HD3 ARG 83 HD1 ARG 83 3.488 -8.201 -5.131 643 HE ARG 83 HE ARG 83 4.959 -8.787 -2.823 644 HH11 ARG 83 HH11 ARG 83 2.828 -10.532 -5.016 645 HH12 ARG 83 HH12 ARG 83 3.625 -12.047 -4.763 646 HH21 ARG 83 HH21 ARG 83 5.964 -10.800 -2.521 647 HH22 ARG 83 HH22 ARG 83 5.385 -12.204 -3.357 648 H ILE 84 HN ILE 84 1.070 -5.392 -0.129 649 HA ILE 84 HA ILE 84 2.085 -5.877 2.456 650 HB ILE 84 HB ILE 84 -0.146 -4.080 1.407 651 HG12 ILE 84 HG12 ILE 84 2.641 -3.358 2.442 652 HG13 ILE 84 HG11 ILE 84 2.273 -3.635 0.745 653 HG21 ILE 84 HG21 ILE 84 0.921 -4.094 4.252 654 HG22 ILE 84 HG22 ILE 84 -0.711 -4.524 3.745 655 HG23 ILE 84 HG23 ILE 84 -0.143 -2.866 3.563 656 HD11 ILE 84 HD11 ILE 84 1.092 -1.463 2.464 657 HD12 ILE 84 HD12 ILE 84 0.782 -1.717 0.743 658 HD13 ILE 84 HD13 ILE 84 2.398 -1.279 1.296 659 H ASP 85 HN ASP 85 -1.212 -6.335 1.110 660 HA ASP 85 HA ASP 85 -2.404 -7.380 3.449 661 HB2 ASP 85 HB2 ASP 85 -3.700 -6.489 1.499 662 HB3 ASP 85 HB1 ASP 85 -3.247 -7.912 0.568 663 H GLU 86 HN GLU 86 -0.712 -8.958 0.784 664 HA GLU 86 HA GLU 86 -1.138 -11.672 1.420 665 HB2 GLU 86 HB2 GLU 86 1.254 -10.280 0.139 666 HB3 GLU 86 HB1 GLU 86 1.133 -12.031 0.275 667 HG2 GLU 86 HG2 GLU 86 -0.825 -12.067 -1.161 668 HG3 GLU 86 HG1 GLU 86 -0.874 -10.301 -1.186 669 H LEU 87 HN LEU 87 1.300 -9.361 2.550 670 HA LEU 87 HA LEU 87 2.703 -11.163 4.249 671 HB2 LEU 87 HB2 LEU 87 2.602 -8.124 4.333 672 HB3 LEU 87 HB1 LEU 87 3.738 -9.123 5.231 673 HG LEU 87 HG LEU 87 3.586 -8.895 2.204 674 HD11 LEU 87 HD11 LEU 87 4.510 -6.882 3.226 675 HD12 LEU 87 HD12 LEU 87 5.749 -7.771 2.342 676 HD13 LEU 87 HD13 LEU 87 5.696 -7.849 4.107 677 HD21 LEU 87 HD21 LEU 87 4.265 -11.152 2.851 678 HD22 LEU 87 HD22 LEU 87 5.532 -10.495 3.893 679 HD23 LEU 87 HD23 LEU 87 5.617 -10.271 2.142 680 H VAL 88 HN VAL 88 0.031 -8.846 4.838 681 HA VAL 88 HA VAL 88 -0.020 -8.976 7.665 682 HB VAL 88 HB VAL 88 -2.373 -8.367 5.803 683 HG11 VAL 88 HG11 VAL 88 -2.022 -7.778 8.775 684 HG12 VAL 88 HG12 VAL 88 -3.163 -8.927 8.076 685 HG13 VAL 88 HG13 VAL 88 -3.368 -7.199 7.780 686 HG21 VAL 88 HG21 VAL 88 -0.426 -6.462 7.162 687 HG22 VAL 88 HG22 VAL 88 -1.835 -5.976 6.216 688 HG23 VAL 88 HG23 VAL 88 -0.490 -6.808 5.438 689 H ALA 89 HN ALA 89 -1.825 -10.726 5.205 690 HA ALA 89 HA ALA 89 -3.330 -12.457 6.809 691 HB1 ALA 89 HB1 ALA 89 -3.779 -12.104 4.415 692 HB2 ALA 89 HB2 ALA 89 -3.602 -13.824 4.775 693 HB3 ALA 89 HB3 ALA 89 -2.282 -12.942 3.998 694 H ALA 90 HN ALA 90 -0.076 -12.801 5.460 695 HA ALA 90 HA ALA 90 0.339 -15.523 6.175 696 HB1 ALA 90 HB1 ALA 90 2.387 -13.385 5.514 697 HB2 ALA 90 HB2 ALA 90 1.571 -14.432 4.351 698 HB3 ALA 90 HB3 ALA 90 2.677 -15.129 5.537 699 H LYS 91 HN LYS 91 1.126 -12.443 7.785 700 HA LYS 91 HA LYS 91 2.753 -13.762 9.814 701 HB2 LYS 91 HB2 LYS 91 3.309 -11.520 10.617 702 HB3 LYS 91 HB1 LYS 91 3.534 -11.618 8.884 703 HG2 LYS 91 HG2 LYS 91 2.576 -9.537 9.058 704 HG3 LYS 91 HG1 LYS 91 1.152 -10.529 8.766 705 HD2 LYS 91 HD2 LYS 91 0.704 -10.538 11.229 706 HD3 LYS 91 HD1 LYS 91 2.087 -9.466 11.460 707 HE2 LYS 91 HE2 LYS 91 0.977 -7.743 10.078 708 HE3 LYS 91 HE1 LYS 91 -0.393 -8.830 9.823 709 HZ1 LYS 91 HZ1 LYS 91 -0.775 -7.187 11.574 710 HZ2 LYS 91 HZ2 LYS 91 0.499 -7.845 12.476 711 HZ3 LYS 91 HZ3 LYS 91 -0.873 -8.774 12.147 712 H GLY 92 HN GLY 92 -0.441 -12.405 9.400 713 HA2 GLY 92 HA2 GLY 92 -1.190 -12.092 12.138 714 HA3 GLY 92 HA1 GLY 92 -2.277 -12.163 10.756 715 H ALA 93 HN ALA 93 -1.227 -14.781 9.911 716 HA ALA 93 HA ALA 93 -2.829 -16.584 11.414 717 HB1 ALA 93 HB1 ALA 93 -1.829 -18.313 9.966 718 HB2 ALA 93 HB2 ALA 93 -0.632 -17.144 9.401 719 HB3 ALA 93 HB3 ALA 93 -2.340 -16.902 9.035 720 H LEU 94 HN LEU 94 0.631 -15.832 11.401 721 HA LEU 94 HA LEU 94 1.432 -17.850 13.291 722 HB2 LEU 94 HB2 LEU 94 2.815 -15.445 12.083 723 HB3 LEU 94 HB1 LEU 94 3.555 -16.285 13.434 724 HG LEU 94 HG LEU 94 3.598 -18.386 12.080 725 HD11 LEU 94 HD11 LEU 94 1.734 -17.958 10.547 726 HD12 LEU 94 HD12 LEU 94 3.209 -18.351 9.669 727 HD13 LEU 94 HD13 LEU 94 2.664 -16.677 9.764 728 HD21 LEU 94 HD21 LEU 94 5.584 -16.941 12.183 729 HD22 LEU 94 HD22 LEU 94 5.019 -16.045 10.770 730 HD23 LEU 94 HD23 LEU 94 5.461 -17.747 10.619 731 H GLU 95 HN GLU 95 0.494 -14.449 13.495 732 HA GLU 95 HA GLU 95 1.036 -14.039 16.259 733 HB2 GLU 95 HB2 GLU 95 -1.044 -12.698 14.464 734 HB3 GLU 95 HB1 GLU 95 -0.612 -12.144 16.081 735 HG2 GLU 95 HG2 GLU 95 1.691 -11.720 15.311 736 HG3 GLU 95 HG1 GLU 95 1.249 -12.251 13.691 737 H HIS 96 HN HIS 96 -1.706 -15.269 14.440 738 HA HIS 96 HA HIS 96 -3.546 -16.465 14.881 739 HB2 HIS 96 HB2 HIS 96 -2.179 -17.982 16.206 740 HB3 HIS 96 HB1 HIS 96 -2.258 -16.915 17.595 741 HD1 HIS 96 HD1 HIS 96 -4.024 -19.694 15.939 742 HD2 HIS 96 HD2 HIS 96 -4.832 -16.927 18.936 743 HE1 HIS 96 HE1 HIS 96 -5.993 -20.605 17.186 744 HE2 HIS 96 HE2 HIS 96 -6.304 -19.039 19.123 745 H HIS 97 HN HIS 97 -2.979 -14.909 18.041 746 HA HIS 97 HA HIS 97 -5.626 -13.984 18.422 747 HB2 HIS 97 HB2 HIS 97 -4.157 -14.471 20.308 748 HB3 HIS 97 HB1 HIS 97 -2.982 -13.284 19.758 749 HD1 HIS 97 HD1 HIS 97 -3.070 -11.227 21.120 750 HD2 HIS 97 HD2 HIS 97 -6.806 -13.008 20.828 751 HE1 HIS 97 HE1 HIS 97 -4.592 -9.803 22.508 752 HE2 HIS 97 HE2 HIS 97 -6.823 -10.967 22.402 753 H HIS 98 HN HIS 98 -6.527 -12.400 17.261 754 HA HIS 98 HA HIS 98 -5.152 -10.179 16.056 755 HB2 HIS 98 HB2 HIS 98 -7.372 -9.348 15.464 756 HB3 HIS 98 HB1 HIS 98 -7.334 -11.083 15.183 757 HD1 HIS 98 HD1 HIS 98 -9.784 -8.952 15.984 758 HD2 HIS 98 HD2 HIS 98 -8.234 -12.122 18.155 759 HE1 HIS 98 HE1 HIS 98 -11.598 -9.616 17.576 760 HE2 HIS 98 HE2 HIS 98 -10.552 -11.399 19.013 761 H HIS 99 HN HIS 99 -5.694 -7.850 16.655 762 HA HIS 99 HA HIS 99 -5.229 -7.322 19.408 763 HB2 HIS 99 HB2 HIS 99 -5.537 -4.931 18.871 764 HB3 HIS 99 HB1 HIS 99 -4.485 -5.729 17.716 765 HD1 HIS 99 HD1 HIS 99 -7.757 -3.931 17.982 766 HD2 HIS 99 HD2 HIS 99 -5.492 -5.879 15.081 767 HE1 HIS 99 HE1 HIS 99 -8.708 -3.197 15.772 768 HE2 HIS 99 HE2 HIS 99 -7.357 -4.431 14.037 769 H HIS 100 HN HIS 100 -6.583 -6.169 20.917 770 HA HIS 100 HA HIS 100 -9.139 -7.358 21.278 771 HB2 HIS 100 HB2 HIS 100 -7.902 -4.942 22.681 772 HB3 HIS 100 HB1 HIS 100 -9.368 -5.762 23.212 773 HD1 HIS 100 HD1 HIS 100 -8.868 -7.142 25.180 774 HD2 HIS 100 HD2 HIS 100 -5.694 -7.144 22.500 775 HE1 HIS 100 HE1 HIS 100 -7.107 -8.575 26.234 776 HE2 HIS 100 HE2 HIS 100 -5.125 -8.402 24.686 777 H HIS 101 HN HIS 101 -10.788 -6.886 19.951 778 HA HIS 101 HA HIS 101 -12.345 -5.860 18.714 779 HB2 HIS 101 HB2 HIS 101 -12.884 -4.622 20.749 780 HB3 HIS 101 HB1 HIS 101 -11.629 -3.437 20.409 781 HD1 HIS 101 HD1 HIS 101 -12.418 -1.379 19.245 782 HD2 HIS 101 HD2 HIS 101 -15.008 -4.560 18.630 783 HE1 HIS 101 HE1 HIS 101 -14.324 -0.436 17.918 784 HE2 HIS 101 HE2 HIS 101 -15.767 -2.424 17.407 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -13.748 -1.613 4.428 2 H2 MET 1 HT2 MET 1 -12.776 -0.229 4.445 3 H3 MET 1 HT3 MET 1 -14.411 -0.114 4.857 4 HA MET 1 HA MET 1 -13.068 -0.009 6.836 5 HB2 MET 1 HB2 MET 1 -14.571 -2.645 6.539 6 HB3 MET 1 HB1 MET 1 -14.063 -1.960 8.078 7 HG2 MET 1 HG2 MET 1 -15.531 -0.023 7.705 8 HG3 MET 1 HG1 MET 1 -16.031 -0.705 6.151 9 HE1 MET 1 HE1 MET 1 -19.202 -1.219 8.476 10 HE2 MET 1 HE2 MET 1 -18.643 -0.554 6.942 11 HE3 MET 1 HE3 MET 1 -18.093 0.149 8.465 12 H THR 2 HN THR 2 -11.164 -0.491 7.762 13 HA THR 2 HA THR 2 -9.016 -1.181 7.962 14 HB THR 2 HB THR 2 -8.688 -3.604 8.504 15 HG1 THR 2 HG1 THR 2 -10.574 -4.141 6.918 16 HG21 THR 2 HG21 THR 2 -9.512 -2.074 10.257 17 HG22 THR 2 HG22 THR 2 -10.191 -3.687 10.457 18 HG23 THR 2 HG23 THR 2 -11.181 -2.399 9.769 19 H SER 3 HN SER 3 -9.790 -0.703 5.260 20 HA SER 3 HA SER 3 -9.002 -2.808 3.493 21 HB2 SER 3 HB2 SER 3 -9.517 0.140 2.907 22 HB3 SER 3 HB1 SER 3 -9.492 -1.172 1.727 23 HG SER 3 HG SER 3 -11.379 -1.924 2.492 24 H THR 4 HN THR 4 -7.062 -3.181 2.611 25 HA THR 4 HA THR 4 -4.735 -2.318 3.866 26 HB THR 4 HB THR 4 -4.917 -3.600 1.107 27 HG1 THR 4 HG1 THR 4 -5.108 -4.692 3.726 28 HG21 THR 4 HG21 THR 4 -2.747 -4.620 1.730 29 HG22 THR 4 HG22 THR 4 -2.748 -3.698 3.236 30 HG23 THR 4 HG23 THR 4 -2.646 -2.858 1.686 31 H PHE 5 HN PHE 5 -5.815 -1.573 0.507 32 HA PHE 5 HA PHE 5 -3.896 0.323 -0.198 33 HB2 PHE 5 HB2 PHE 5 -5.243 -0.350 -2.013 34 HB3 PHE 5 HB1 PHE 5 -6.742 -0.148 -1.115 35 HD1 PHE 5 HD1 PHE 5 -3.925 1.868 -2.590 36 HD2 PHE 5 HD2 PHE 5 -8.053 1.794 -1.474 37 HE1 PHE 5 HE1 PHE 5 -4.233 4.119 -3.520 38 HE2 PHE 5 HE2 PHE 5 -8.345 4.037 -2.422 39 HZ PHE 5 HZ PHE 5 -6.436 5.203 -3.436 40 H ASP 6 HN ASP 6 -7.008 0.806 1.454 41 HA ASP 6 HA ASP 6 -7.036 3.622 1.389 42 HB2 ASP 6 HB2 ASP 6 -9.064 2.315 1.862 43 HB3 ASP 6 HB1 ASP 6 -8.373 1.740 3.377 44 H ARG 7 HN ARG 7 -5.829 1.375 3.878 45 HA ARG 7 HA ARG 7 -4.987 3.176 5.828 46 HB2 ARG 7 HB2 ARG 7 -3.822 0.493 4.994 47 HB3 ARG 7 HB1 ARG 7 -3.285 1.371 6.421 48 HG2 ARG 7 HG2 ARG 7 -6.117 0.367 5.979 49 HG3 ARG 7 HG1 ARG 7 -4.875 -0.475 6.909 50 HD2 ARG 7 HD2 ARG 7 -4.737 1.536 8.418 51 HD3 ARG 7 HD1 ARG 7 -6.104 2.227 7.537 52 HE ARG 7 HE ARG 7 -6.354 -0.405 8.848 53 HH11 ARG 7 HH11 ARG 7 -7.425 2.931 8.609 54 HH12 ARG 7 HH12 ARG 7 -8.750 2.708 9.703 55 HH21 ARG 7 HH21 ARG 7 -8.065 -0.684 10.282 56 HH22 ARG 7 HH22 ARG 7 -9.110 0.643 10.658 57 H VAL 8 HN VAL 8 -3.271 1.964 2.932 58 HA VAL 8 HA VAL 8 -0.772 3.247 3.513 59 HB VAL 8 HB VAL 8 -1.825 2.081 0.900 60 HG11 VAL 8 HG11 VAL 8 1.030 2.778 1.712 61 HG12 VAL 8 HG12 VAL 8 0.070 3.587 0.468 62 HG13 VAL 8 HG13 VAL 8 0.571 1.911 0.245 63 HG21 VAL 8 HG21 VAL 8 -0.083 0.785 3.035 64 HG22 VAL 8 HG22 VAL 8 -0.561 0.056 1.499 65 HG23 VAL 8 HG23 VAL 8 -1.782 0.415 2.719 66 H ALA 9 HN ALA 9 -3.631 4.073 1.620 67 HA ALA 9 HA ALA 9 -2.643 6.344 0.278 68 HB1 ALA 9 HB1 ALA 9 -5.022 6.892 -0.115 69 HB2 ALA 9 HB2 ALA 9 -5.503 5.672 1.070 70 HB3 ALA 9 HB3 ALA 9 -4.702 5.183 -0.424 71 H THR 10 HN THR 10 -4.238 5.887 3.421 72 HA THR 10 HA THR 10 -4.305 8.571 4.271 73 HB THR 10 HB THR 10 -3.937 6.218 6.183 74 HG1 THR 10 HG1 THR 10 -5.623 5.385 5.245 75 HG21 THR 10 HG21 THR 10 -4.105 8.500 7.188 76 HG22 THR 10 HG22 THR 10 -5.478 7.479 7.619 77 HG23 THR 10 HG23 THR 10 -5.663 8.723 6.376 78 H ILE 11 HN ILE 11 -1.843 6.008 4.766 79 HA ILE 11 HA ILE 11 0.068 7.400 6.230 80 HB ILE 11 HB ILE 11 0.433 5.191 4.153 81 HG12 ILE 11 HG12 ILE 11 0.482 5.093 7.202 82 HG13 ILE 11 HG11 ILE 11 -0.878 4.604 6.203 83 HG21 ILE 11 HG21 ILE 11 2.705 4.810 5.061 84 HG22 ILE 11 HG22 ILE 11 2.544 6.243 6.074 85 HG23 ILE 11 HG23 ILE 11 2.563 6.403 4.318 86 HD11 ILE 11 HD11 ILE 11 1.835 3.282 6.310 87 HD12 ILE 11 HD12 ILE 11 0.513 2.794 5.249 88 HD13 ILE 11 HD13 ILE 11 0.329 2.675 6.998 89 H ILE 12 HN ILE 12 -0.124 7.073 2.665 90 HA ILE 12 HA ILE 12 2.083 8.660 1.986 91 HB ILE 12 HB ILE 12 -0.410 7.877 0.417 92 HG12 ILE 12 HG12 ILE 12 2.472 6.885 0.359 93 HG13 ILE 12 HG11 ILE 12 1.067 5.997 0.927 94 HG21 ILE 12 HG21 ILE 12 0.368 9.984 -0.563 95 HG22 ILE 12 HG22 ILE 12 0.701 8.645 -1.656 96 HG23 ILE 12 HG23 ILE 12 2.005 9.339 -0.696 97 HD11 ILE 12 HD11 ILE 12 1.657 6.786 -1.927 98 HD12 ILE 12 HD12 ILE 12 0.202 5.947 -1.382 99 HD13 ILE 12 HD13 ILE 12 1.778 5.176 -1.216 100 H ALA 13 HN ALA 13 -1.394 9.472 2.125 101 HA ALA 13 HA ALA 13 -1.388 12.132 1.560 102 HB1 ALA 13 HB1 ALA 13 -3.414 10.816 1.979 103 HB2 ALA 13 HB2 ALA 13 -3.422 12.301 2.935 104 HB3 ALA 13 HB3 ALA 13 -3.032 10.756 3.700 105 H GLU 14 HN GLU 14 -0.901 10.731 4.814 106 HA GLU 14 HA GLU 14 -0.353 13.163 6.159 107 HB2 GLU 14 HB2 GLU 14 0.214 10.264 6.879 108 HB3 GLU 14 HB1 GLU 14 0.585 11.601 7.968 109 HG2 GLU 14 HG2 GLU 14 -1.790 12.227 8.028 110 HG3 GLU 14 HG1 GLU 14 -2.175 10.915 6.910 111 H THR 15 HN THR 15 1.725 10.956 4.362 112 HA THR 15 HA THR 15 4.209 11.815 5.500 113 HB THR 15 HB THR 15 3.631 10.244 2.944 114 HG1 THR 15 HG1 THR 15 3.199 9.475 5.325 115 HG21 THR 15 HG21 THR 15 5.895 11.240 2.855 116 HG22 THR 15 HG22 THR 15 5.981 9.493 3.077 117 HG23 THR 15 HG23 THR 15 6.259 10.566 4.447 118 H CYS 16 HN CYS 16 2.738 12.325 2.230 119 HA CYS 16 HA CYS 16 4.876 14.149 1.497 120 HB2 CYS 16 HB2 CYS 16 2.575 12.937 -0.078 121 HB3 CYS 16 HB1 CYS 16 3.933 13.825 -0.766 122 HG CYS 16 HG CYS 16 5.140 11.612 -1.275 123 H ASP 17 HN ASP 17 2.344 14.828 3.286 124 HA ASP 17 HA ASP 17 0.660 16.299 3.536 125 HB2 ASP 17 HB2 ASP 17 2.717 17.641 3.940 126 HB3 ASP 17 HB1 ASP 17 2.729 18.132 2.252 127 H ILE 18 HN ILE 18 -0.572 15.067 1.951 128 HA ILE 18 HA ILE 18 -1.646 16.715 -0.208 129 HB ILE 18 HB ILE 18 -1.690 14.661 -1.776 130 HG12 ILE 18 HG12 ILE 18 0.551 13.690 0.063 131 HG13 ILE 18 HG11 ILE 18 -1.025 12.930 -0.107 132 HG21 ILE 18 HG21 ILE 18 0.517 15.104 -2.748 133 HG22 ILE 18 HG22 ILE 18 1.025 15.911 -1.264 134 HG23 ILE 18 HG23 ILE 18 -0.268 16.606 -2.242 135 HD11 ILE 18 HD11 ILE 18 -0.497 12.398 -2.453 136 HD12 ILE 18 HD12 ILE 18 0.660 11.708 -1.320 137 HD13 ILE 18 HD13 ILE 18 1.094 13.140 -2.244 138 HA PRO 19 HA PRO 19 -5.412 15.050 1.609 139 HB2 PRO 19 HB2 PRO 19 -7.158 15.306 -0.531 140 HB3 PRO 19 HB1 PRO 19 -6.647 16.644 0.499 141 HG2 PRO 19 HG2 PRO 19 -5.586 15.809 -2.186 142 HG3 PRO 19 HG1 PRO 19 -5.984 17.441 -1.611 143 HD2 PRO 19 HD2 PRO 19 -3.435 16.555 -1.685 144 HD3 PRO 19 HD1 PRO 19 -3.997 17.615 -0.370 145 H ARG 20 HN ARG 20 -6.380 13.061 1.844 146 HA ARG 20 HA ARG 20 -5.143 10.765 0.887 147 HB2 ARG 20 HB2 ARG 20 -6.510 11.190 3.040 148 HB3 ARG 20 HB1 ARG 20 -7.942 10.859 2.087 149 HG2 ARG 20 HG2 ARG 20 -5.692 8.844 2.463 150 HG3 ARG 20 HG1 ARG 20 -7.063 8.975 3.560 151 HD2 ARG 20 HD2 ARG 20 -7.058 8.097 0.663 152 HD3 ARG 20 HD1 ARG 20 -7.588 7.176 2.074 153 HE ARG 20 HE ARG 20 -9.048 9.254 0.639 154 HH11 ARG 20 HH11 ARG 20 -9.057 7.143 3.429 155 HH12 ARG 20 HH12 ARG 20 -10.755 7.331 3.698 156 HH21 ARG 20 HH21 ARG 20 -11.277 9.416 0.977 157 HH22 ARG 20 HH22 ARG 20 -12.005 8.610 2.329 158 H GLU 21 HN GLU 21 -7.842 12.522 -0.490 159 HA GLU 21 HA GLU 21 -8.980 10.256 -1.896 160 HB2 GLU 21 HB2 GLU 21 -10.510 12.010 -2.921 161 HB3 GLU 21 HB1 GLU 21 -10.608 11.822 -1.181 162 HG2 GLU 21 HG2 GLU 21 -8.774 13.971 -2.178 163 HG3 GLU 21 HG1 GLU 21 -10.497 14.233 -2.425 164 H THR 22 HN THR 22 -6.499 12.627 -2.571 165 HA THR 22 HA THR 22 -6.724 12.416 -5.458 166 HB THR 22 HB THR 22 -4.522 13.611 -5.528 167 HG1 THR 22 HG1 THR 22 -4.396 12.826 -2.951 168 HG21 THR 22 HG21 THR 22 -6.587 14.940 -5.468 169 HG22 THR 22 HG22 THR 22 -5.286 15.755 -4.596 170 HG23 THR 22 HG23 THR 22 -6.562 14.923 -3.701 171 H ILE 23 HN ILE 23 -5.478 10.323 -3.037 172 HA ILE 23 HA ILE 23 -3.492 9.075 -4.789 173 HB ILE 23 HB ILE 23 -4.481 8.280 -1.997 174 HG12 ILE 23 HG12 ILE 23 -2.018 8.837 -1.370 175 HG13 ILE 23 HG11 ILE 23 -1.907 9.637 -2.929 176 HG21 ILE 23 HG21 ILE 23 -3.843 6.276 -3.241 177 HG22 ILE 23 HG22 ILE 23 -2.648 6.614 -1.985 178 HG23 ILE 23 HG23 ILE 23 -2.292 7.002 -3.673 179 HD11 ILE 23 HD11 ILE 23 -3.769 10.382 -0.681 180 HD12 ILE 23 HD12 ILE 23 -3.631 11.213 -2.234 181 HD13 ILE 23 HD13 ILE 23 -2.265 11.195 -1.117 182 H THR 24 HN THR 24 -4.499 8.111 -6.516 183 HA THR 24 HA THR 24 -7.051 6.733 -6.305 184 HB THR 24 HB THR 24 -6.794 6.292 -8.744 185 HG1 THR 24 HG1 THR 24 -4.904 7.180 -9.802 186 HG21 THR 24 HG21 THR 24 -7.693 8.499 -8.106 187 HG22 THR 24 HG22 THR 24 -6.730 8.617 -9.579 188 HG23 THR 24 HG23 THR 24 -6.055 9.156 -8.039 189 HA PRO 25 HA PRO 25 -5.448 2.601 -5.506 190 HB2 PRO 25 HB2 PRO 25 -7.082 1.012 -7.112 191 HB3 PRO 25 HB1 PRO 25 -7.559 1.672 -5.544 192 HG2 PRO 25 HG2 PRO 25 -8.151 2.731 -8.304 193 HG3 PRO 25 HG1 PRO 25 -9.234 2.594 -6.902 194 HD2 PRO 25 HD2 PRO 25 -8.112 4.955 -7.566 195 HD3 PRO 25 HD1 PRO 25 -8.342 4.504 -5.862 196 H GLU 26 HN GLU 26 -5.711 3.681 -8.846 197 HA GLU 26 HA GLU 26 -3.717 1.690 -9.758 198 HB2 GLU 26 HB2 GLU 26 -4.372 2.286 -12.018 199 HB3 GLU 26 HB1 GLU 26 -5.805 1.899 -11.073 200 HG2 GLU 26 HG2 GLU 26 -6.275 4.319 -10.812 201 HG3 GLU 26 HG1 GLU 26 -4.850 4.693 -11.777 202 H SER 27 HN SER 27 -3.392 4.383 -8.169 203 HA SER 27 HA SER 27 -1.826 6.105 -9.856 204 HB2 SER 27 HB2 SER 27 -2.958 6.994 -7.840 205 HB3 SER 27 HB1 SER 27 -1.985 5.954 -6.800 206 HG SER 27 HG SER 27 -1.243 8.212 -8.283 207 H HIS 28 HN HIS 28 0.269 5.802 -10.410 208 HA HIS 28 HA HIS 28 1.964 3.896 -9.009 209 HB2 HIS 28 HB2 HIS 28 2.067 4.387 -11.538 210 HB3 HIS 28 HB1 HIS 28 2.844 5.916 -11.124 211 HD2 HIS 28 HD2 HIS 28 3.703 2.273 -11.670 212 HE1 HIS 28 HE1 HIS 28 7.043 4.009 -9.765 213 HE2 HIS 28 HE2 HIS 28 6.235 2.112 -11.227 214 H ALA 29 HN ALA 29 2.791 4.529 -7.063 215 HA ALA 29 HA ALA 29 2.729 6.919 -5.801 216 HB1 ALA 29 HB1 ALA 29 3.336 4.785 -4.754 217 HB2 ALA 29 HB2 ALA 29 4.492 6.051 -4.331 218 HB3 ALA 29 HB3 ALA 29 4.913 4.833 -5.543 219 H ILE 30 HN ILE 30 5.231 5.926 -8.151 220 HA ILE 30 HA ILE 30 6.954 8.198 -7.399 221 HB ILE 30 HB ILE 30 7.527 6.002 -9.451 222 HG12 ILE 30 HG12 ILE 30 8.430 6.156 -6.532 223 HG13 ILE 30 HG11 ILE 30 7.256 5.012 -7.176 224 HG21 ILE 30 HG21 ILE 30 8.848 8.049 -9.804 225 HG22 ILE 30 HG22 ILE 30 9.881 6.739 -9.243 226 HG23 ILE 30 HG23 ILE 30 9.393 8.009 -8.122 227 HD11 ILE 30 HD11 ILE 30 9.409 3.963 -6.842 228 HD12 ILE 30 HD12 ILE 30 10.188 5.147 -7.890 229 HD13 ILE 30 HD13 ILE 30 9.020 4.004 -8.562 230 H ASP 31 HN ASP 31 5.574 6.719 -10.335 231 HA ASP 31 HA ASP 31 6.280 8.765 -12.150 232 HB2 ASP 31 HB2 ASP 31 5.925 6.480 -12.900 233 HB3 ASP 31 HB1 ASP 31 4.266 6.479 -12.323 234 H ASP 32 HN ASP 32 3.343 8.251 -10.252 235 HA ASP 32 HA ASP 32 1.892 10.399 -11.663 236 HB2 ASP 32 HB2 ASP 32 0.722 8.217 -11.396 237 HB3 ASP 32 HB1 ASP 32 0.884 8.327 -9.655 238 H LEU 33 HN LEU 33 2.252 9.321 -8.215 239 HA LEU 33 HA LEU 33 1.324 11.826 -7.189 240 HB2 LEU 33 HB2 LEU 33 2.674 9.492 -5.780 241 HB3 LEU 33 HB1 LEU 33 1.944 10.855 -4.947 242 HG LEU 33 HG LEU 33 0.455 8.844 -6.682 243 HD11 LEU 33 HD11 LEU 33 -0.559 8.054 -4.592 244 HD12 LEU 33 HD12 LEU 33 0.461 9.159 -3.664 245 HD13 LEU 33 HD13 LEU 33 1.191 7.838 -4.583 246 HD21 LEU 33 HD21 LEU 33 -1.606 9.928 -5.852 247 HD22 LEU 33 HD22 LEU 33 -0.622 11.021 -6.821 248 HD23 LEU 33 HD23 LEU 33 -0.629 11.171 -5.060 249 H GLY 34 HN GLY 34 4.446 10.789 -8.193 250 HA2 GLY 34 HA2 GLY 34 6.471 11.906 -8.253 251 HA3 GLY 34 HA1 GLY 34 5.691 13.292 -7.506 252 H ILE 35 HN ILE 35 5.961 9.989 -6.305 253 HA ILE 35 HA ILE 35 7.333 10.884 -3.843 254 HB ILE 35 HB ILE 35 5.905 8.270 -4.555 255 HG12 ILE 35 HG12 ILE 35 5.077 10.437 -2.579 256 HG13 ILE 35 HG11 ILE 35 4.396 10.236 -4.191 257 HG21 ILE 35 HG21 ILE 35 7.153 9.036 -1.896 258 HG22 ILE 35 HG22 ILE 35 7.757 7.808 -3.008 259 HG23 ILE 35 HG23 ILE 35 6.202 7.583 -2.209 260 HD11 ILE 35 HD11 ILE 35 4.201 8.269 -1.915 261 HD12 ILE 35 HD12 ILE 35 3.553 8.020 -3.539 262 HD13 ILE 35 HD13 ILE 35 2.931 9.321 -2.527 263 H ASP 36 HN ASP 36 9.552 10.826 -4.188 264 HA ASP 36 HA ASP 36 10.811 9.088 -6.087 265 HB2 ASP 36 HB2 ASP 36 11.642 11.401 -5.394 266 HB3 ASP 36 HB1 ASP 36 12.101 10.711 -3.843 267 H SER 37 HN SER 37 12.691 7.672 -5.359 268 HA SER 37 HA SER 37 11.875 5.450 -3.940 269 HB2 SER 37 HB2 SER 37 13.731 5.492 -5.575 270 HB3 SER 37 HB1 SER 37 14.713 6.431 -4.451 271 HG SER 37 HG SER 37 13.649 3.939 -3.704 272 H LEU 38 HN LEU 38 13.575 8.334 -2.747 273 HA LEU 38 HA LEU 38 14.281 7.179 -0.204 274 HB2 LEU 38 HB2 LEU 38 15.064 9.507 0.352 275 HB3 LEU 38 HB1 LEU 38 15.811 8.758 -1.040 276 HG LEU 38 HG LEU 38 14.143 10.186 -2.469 277 HD11 LEU 38 HD11 LEU 38 13.422 12.315 -1.497 278 HD12 LEU 38 HD12 LEU 38 13.979 11.791 0.094 279 HD13 LEU 38 HD13 LEU 38 12.648 10.945 -0.698 280 HD21 LEU 38 HD21 LEU 38 16.548 10.576 -2.463 281 HD22 LEU 38 HD22 LEU 38 16.419 11.532 -0.985 282 HD23 LEU 38 HD23 LEU 38 15.682 12.112 -2.480 283 H ASP 39 HN ASP 39 11.556 9.007 -1.430 284 HA ASP 39 HA ASP 39 10.421 9.661 1.147 285 HB2 ASP 39 HB2 ASP 39 9.057 9.467 -1.580 286 HB3 ASP 39 HB1 ASP 39 8.347 10.175 -0.133 287 H PHE 40 HN PHE 40 10.081 7.078 -1.243 288 HA PHE 40 HA PHE 40 7.803 5.821 -0.081 289 HB2 PHE 40 HB2 PHE 40 8.680 5.667 -2.531 290 HB3 PHE 40 HB1 PHE 40 9.784 4.431 -1.937 291 HD1 PHE 40 HD2 PHE 40 8.864 2.248 -1.085 292 HD2 PHE 40 HD1 PHE 40 6.306 5.211 -2.810 293 HE1 PHE 40 HE2 PHE 40 7.082 0.575 -1.334 294 HE2 PHE 40 HE1 PHE 40 4.537 3.528 -3.044 295 HZ PHE 40 HZ PHE 40 4.921 1.213 -2.315 296 H LEU 41 HN LEU 41 11.260 5.583 0.508 297 HA LEU 41 HA LEU 41 11.531 3.228 1.950 298 HB2 LEU 41 HB2 LEU 41 12.720 5.962 2.540 299 HB3 LEU 41 HB1 LEU 41 13.237 4.492 3.352 300 HG LEU 41 HG LEU 41 13.545 5.093 0.382 301 HD11 LEU 41 HD11 LEU 41 15.953 5.142 0.854 302 HD12 LEU 41 HD12 LEU 41 15.635 4.903 2.574 303 HD13 LEU 41 HD13 LEU 41 15.092 6.379 1.771 304 HD21 LEU 41 HD21 LEU 41 13.144 2.709 0.705 305 HD22 LEU 41 HD22 LEU 41 14.402 2.634 1.940 306 HD23 LEU 41 HD23 LEU 41 14.826 2.990 0.264 307 H ASP 42 HN ASP 42 10.388 6.368 3.127 308 HA ASP 42 HA ASP 42 9.961 5.576 5.859 309 HB2 ASP 42 HB2 ASP 42 8.798 8.003 4.421 310 HB3 ASP 42 HB1 ASP 42 8.937 7.785 6.163 311 H ILE 43 HN ILE 43 7.914 5.903 3.006 312 HA ILE 43 HA ILE 43 5.380 5.541 4.243 313 HB ILE 43 HB ILE 43 6.269 5.001 1.372 314 HG12 ILE 43 HG12 ILE 43 4.847 7.421 2.582 315 HG13 ILE 43 HG11 ILE 43 6.557 7.364 2.164 316 HG21 ILE 43 HG21 ILE 43 3.869 5.122 0.754 317 HG22 ILE 43 HG22 ILE 43 3.434 5.226 2.459 318 HG23 ILE 43 HG23 ILE 43 4.194 3.761 1.836 319 HD11 ILE 43 HD11 ILE 43 4.246 7.166 0.238 320 HD12 ILE 43 HD12 ILE 43 5.954 7.089 -0.197 321 HD13 ILE 43 HD13 ILE 43 5.287 8.564 0.503 322 H ALA 44 HN ALA 44 7.690 3.259 2.772 323 HA ALA 44 HA ALA 44 6.007 0.948 2.967 324 HB1 ALA 44 HB1 ALA 44 8.021 -0.301 2.305 325 HB2 ALA 44 HB2 ALA 44 9.015 1.138 2.565 326 HB3 ALA 44 HB3 ALA 44 7.804 1.120 1.281 327 H PHE 45 HN PHE 45 8.620 2.350 4.892 328 HA PHE 45 HA PHE 45 8.671 0.360 6.925 329 HB2 PHE 45 HB2 PHE 45 10.564 1.906 6.471 330 HB3 PHE 45 HB1 PHE 45 9.591 3.263 7.036 331 HD1 PHE 45 HD1 PHE 45 10.633 -0.146 8.266 332 HD2 PHE 45 HD2 PHE 45 10.034 3.974 9.224 333 HE1 PHE 45 HE1 PHE 45 11.416 -0.560 10.557 334 HE2 PHE 45 HE2 PHE 45 10.819 3.554 11.514 335 HZ PHE 45 HZ PHE 45 11.512 1.291 12.175 336 H ALA 46 HN ALA 46 6.663 3.213 6.417 337 HA ALA 46 HA ALA 46 5.516 3.287 9.060 338 HB1 ALA 46 HB1 ALA 46 3.830 4.789 8.076 339 HB2 ALA 46 HB2 ALA 46 4.409 4.396 6.454 340 HB3 ALA 46 HB3 ALA 46 5.458 5.256 7.581 341 H ILE 47 HN ILE 47 4.772 1.638 6.051 342 HA ILE 47 HA ILE 47 2.333 0.357 6.809 343 HB ILE 47 HB ILE 47 4.479 -0.363 4.766 344 HG12 ILE 47 HG12 ILE 47 1.721 0.830 4.237 345 HG13 ILE 47 HG11 ILE 47 3.157 1.819 4.460 346 HG21 ILE 47 HG21 ILE 47 1.718 -1.594 5.026 347 HG22 ILE 47 HG22 ILE 47 3.254 -2.399 5.360 348 HG23 ILE 47 HG23 ILE 47 2.860 -1.889 3.719 349 HD11 ILE 47 HD11 ILE 47 2.771 -0.225 2.275 350 HD12 ILE 47 HD12 ILE 47 4.177 0.823 2.487 351 HD13 ILE 47 HD13 ILE 47 2.602 1.520 2.112 352 H ASP 48 HN ASP 48 5.763 -0.498 7.054 353 HA ASP 48 HA ASP 48 5.611 -3.066 8.149 354 HB2 ASP 48 HB2 ASP 48 7.720 -2.170 7.360 355 HB3 ASP 48 HB1 ASP 48 7.658 -0.843 8.501 356 H LYS 49 HN LYS 49 5.571 0.084 9.728 357 HA LYS 49 HA LYS 49 5.382 -0.793 12.427 358 HB2 LYS 49 HB2 LYS 49 4.549 1.843 11.130 359 HB3 LYS 49 HB1 LYS 49 4.670 1.580 12.869 360 HG2 LYS 49 HG2 LYS 49 7.056 1.308 12.755 361 HG3 LYS 49 HG1 LYS 49 7.023 1.221 10.996 362 HD2 LYS 49 HD2 LYS 49 7.841 3.390 11.502 363 HD3 LYS 49 HD1 LYS 49 6.170 3.626 10.997 364 HE2 LYS 49 HE2 LYS 49 7.081 3.525 13.897 365 HE3 LYS 49 HE1 LYS 49 6.871 5.011 12.977 366 HZ1 LYS 49 HZ1 LYS 49 4.519 4.375 12.687 367 HZ2 LYS 49 HZ2 LYS 49 4.955 4.648 14.295 368 HZ3 LYS 49 HZ3 LYS 49 4.767 3.069 13.729 369 H ALA 50 HN ALA 50 2.918 0.428 10.152 370 HA ALA 50 HA ALA 50 0.680 0.326 11.810 371 HB1 ALA 50 HB1 ALA 50 -0.633 0.537 9.737 372 HB2 ALA 50 HB2 ALA 50 0.785 0.087 8.782 373 HB3 ALA 50 HB3 ALA 50 0.782 1.595 9.700 374 H PHE 51 HN PHE 51 1.696 -2.060 9.345 375 HA PHE 51 HA PHE 51 -0.502 -3.864 10.052 376 HB2 PHE 51 HB2 PHE 51 1.513 -3.911 7.771 377 HB3 PHE 51 HB1 PHE 51 0.276 -5.138 8.007 378 HD1 PHE 51 HD1 PHE 51 -2.096 -4.642 7.562 379 HD2 PHE 51 HD2 PHE 51 0.910 -1.664 6.959 380 HE1 PHE 51 HE1 PHE 51 -3.671 -3.317 6.218 381 HE2 PHE 51 HE2 PHE 51 -0.666 -0.350 5.615 382 HZ PHE 51 HZ PHE 51 -2.956 -1.174 5.240 383 H GLY 52 HN GLY 52 2.799 -3.522 10.869 384 HA2 GLY 52 HA2 GLY 52 4.246 -4.814 12.074 385 HA3 GLY 52 HA1 GLY 52 2.904 -5.889 12.429 386 H ILE 53 HN ILE 53 4.149 -5.079 9.265 387 HA ILE 53 HA ILE 53 5.107 -7.860 8.829 388 HB ILE 53 HB ILE 53 4.474 -7.584 6.437 389 HG12 ILE 53 HG12 ILE 53 3.042 -5.012 7.248 390 HG13 ILE 53 HG11 ILE 53 4.598 -5.019 6.436 391 HG21 ILE 53 HG21 ILE 53 2.006 -7.716 6.700 392 HG22 ILE 53 HG22 ILE 53 2.174 -7.146 8.363 393 HG23 ILE 53 HG23 ILE 53 2.877 -8.691 7.884 394 HD11 ILE 53 HD11 ILE 53 2.008 -6.095 5.358 395 HD12 ILE 53 HD12 ILE 53 3.570 -6.163 4.530 396 HD13 ILE 53 HD13 ILE 53 2.828 -4.604 4.890 397 H LYS 54 HN LYS 54 7.044 -8.025 7.504 398 HA LYS 54 HA LYS 54 8.495 -5.471 7.163 399 HB2 LYS 54 HB2 LYS 54 10.548 -6.770 6.915 400 HB3 LYS 54 HB1 LYS 54 9.755 -7.163 8.428 401 HG2 LYS 54 HG2 LYS 54 8.964 -9.295 7.477 402 HG3 LYS 54 HG1 LYS 54 9.707 -8.891 5.931 403 HD2 LYS 54 HD2 LYS 54 11.120 -9.480 8.560 404 HD3 LYS 54 HD1 LYS 54 11.154 -10.450 7.089 405 HE2 LYS 54 HE2 LYS 54 12.387 -7.700 7.463 406 HE3 LYS 54 HE1 LYS 54 13.254 -9.229 7.358 407 HZ1 LYS 54 HZ1 LYS 54 11.622 -8.050 5.175 408 HZ2 LYS 54 HZ2 LYS 54 12.547 -9.459 5.086 409 HZ3 LYS 54 HZ3 LYS 54 13.306 -7.965 5.293 410 H LEU 55 HN LEU 55 7.912 -4.572 5.293 411 HA LEU 55 HA LEU 55 7.484 -5.989 2.849 412 HB2 LEU 55 HB2 LEU 55 8.172 -3.059 3.320 413 HB3 LEU 55 HB1 LEU 55 7.751 -3.730 1.752 414 HG LEU 55 HG LEU 55 5.918 -3.425 4.171 415 HD11 LEU 55 HD11 LEU 55 5.779 -2.196 1.395 416 HD12 LEU 55 HD12 LEU 55 6.222 -1.371 2.891 417 HD13 LEU 55 HD13 LEU 55 4.589 -1.990 2.686 418 HD21 LEU 55 HD21 LEU 55 5.392 -5.570 3.158 419 HD22 LEU 55 HD22 LEU 55 5.303 -4.842 1.557 420 HD23 LEU 55 HD23 LEU 55 4.115 -4.414 2.786 421 HA PRO 56 HA PRO 56 11.967 -6.412 1.991 422 HB2 PRO 56 HB2 PRO 56 11.781 -7.971 -0.226 423 HB3 PRO 56 HB1 PRO 56 11.505 -8.624 1.397 424 HG2 PRO 56 HG2 PRO 56 9.500 -7.785 -0.688 425 HG3 PRO 56 HG1 PRO 56 9.471 -9.208 0.373 426 HD2 PRO 56 HD2 PRO 56 8.041 -6.885 0.863 427 HD3 PRO 56 HD1 PRO 56 8.551 -8.017 2.135 428 H LEU 57 HN LEU 57 11.147 -3.965 1.557 429 HA LEU 57 HA LEU 57 10.628 -3.063 -1.055 430 HB2 LEU 57 HB2 LEU 57 10.129 -1.862 1.129 431 HB3 LEU 57 HB1 LEU 57 11.828 -1.485 1.273 432 HG LEU 57 HG LEU 57 10.258 0.380 0.447 433 HD11 LEU 57 HD11 LEU 57 11.841 1.349 -1.120 434 HD12 LEU 57 HD12 LEU 57 12.654 -0.208 -1.299 435 HD13 LEU 57 HD13 LEU 57 12.666 0.622 0.257 436 HD21 LEU 57 HD21 LEU 57 9.670 0.421 -1.923 437 HD22 LEU 57 HD22 LEU 57 8.928 -0.951 -1.105 438 HD23 LEU 57 HD23 LEU 57 10.341 -1.203 -2.138 439 H GLU 58 HN GLU 58 13.649 -3.383 0.798 440 HA GLU 58 HA GLU 58 15.391 -2.272 -1.101 441 HB2 GLU 58 HB2 GLU 58 17.171 -3.708 0.069 442 HB3 GLU 58 HB1 GLU 58 16.279 -2.561 1.049 443 HG2 GLU 58 HG2 GLU 58 16.440 -4.462 2.409 444 HG3 GLU 58 HG1 GLU 58 14.798 -4.519 1.781 445 H LYS 59 HN LYS 59 14.066 -5.543 -0.880 446 HA LYS 59 HA LYS 59 15.619 -6.656 -3.023 447 HB2 LYS 59 HB2 LYS 59 14.461 -7.936 -1.109 448 HB3 LYS 59 HB1 LYS 59 12.954 -7.705 -1.979 449 HG2 LYS 59 HG2 LYS 59 13.841 -9.927 -2.429 450 HG3 LYS 59 HG1 LYS 59 13.873 -8.960 -3.905 451 HD2 LYS 59 HD2 LYS 59 15.938 -10.183 -3.828 452 HD3 LYS 59 HD1 LYS 59 16.335 -8.508 -3.460 453 HE2 LYS 59 HE2 LYS 59 15.993 -10.697 -1.373 454 HE3 LYS 59 HE1 LYS 59 17.539 -10.196 -2.049 455 HZ1 LYS 59 HZ1 LYS 59 15.714 -8.604 -0.334 456 HZ2 LYS 59 HZ2 LYS 59 17.021 -7.926 -1.159 457 HZ3 LYS 59 HZ3 LYS 59 17.288 -9.112 0.009 458 H TRP 60 HN TRP 60 12.453 -5.146 -2.714 459 HA TRP 60 HA TRP 60 11.384 -5.696 -5.266 460 HB2 TRP 60 HB2 TRP 60 10.861 -3.460 -3.269 461 HB3 TRP 60 HB1 TRP 60 9.938 -3.632 -4.758 462 HD1 TRP 60 HD1 TRP 60 10.268 -7.070 -3.871 463 HE1 TRP 60 HE1 TRP 60 8.305 -7.900 -2.450 464 HE3 TRP 60 HE3 TRP 60 8.376 -2.565 -2.391 465 HZ2 TRP 60 HZ2 TRP 60 6.219 -6.805 -0.914 466 HZ3 TRP 60 HZ3 TRP 60 6.392 -2.539 -0.942 467 HH2 TRP 60 HH2 TRP 60 5.332 -4.621 -0.219 468 H THR 61 HN THR 61 13.075 -2.839 -3.995 469 HA THR 61 HA THR 61 13.225 -1.354 -6.389 470 HB THR 61 HB THR 61 15.055 -1.199 -3.947 471 HG1 THR 61 HG1 THR 61 12.933 -0.836 -3.321 472 HG21 THR 61 HG21 THR 61 16.030 0.020 -5.865 473 HG22 THR 61 HG22 THR 61 15.454 1.157 -4.641 474 HG23 THR 61 HG23 THR 61 14.507 0.885 -6.105 475 H GLN 62 HN GLN 62 15.261 -3.910 -5.001 476 HA GLN 62 HA GLN 62 17.498 -3.612 -6.743 477 HB2 GLN 62 HB2 GLN 62 17.754 -4.814 -4.638 478 HB3 GLN 62 HB1 GLN 62 16.513 -5.977 -5.088 479 HG2 GLN 62 HG2 GLN 62 18.775 -6.924 -5.276 480 HG3 GLN 62 HG1 GLN 62 17.946 -6.895 -6.832 481 HE21 GLN 62 HE21 GLN 62 19.819 -6.934 -8.073 482 HE22 GLN 62 HE22 GLN 62 20.933 -5.616 -8.141 483 H GLU 63 HN GLU 63 14.553 -5.644 -6.849 484 HA GLU 63 HA GLU 63 15.162 -7.097 -9.188 485 HB2 GLU 63 HB2 GLU 63 12.479 -6.359 -7.950 486 HB3 GLU 63 HB1 GLU 63 12.652 -7.458 -9.320 487 HG2 GLU 63 HG2 GLU 63 13.924 -9.024 -7.982 488 HG3 GLU 63 HG1 GLU 63 13.960 -7.912 -6.619 489 H VAL 64 HN VAL 64 13.436 -4.021 -8.725 490 HA VAL 64 HA VAL 64 12.807 -3.465 -11.424 491 HB VAL 64 HB VAL 64 13.452 -1.475 -9.203 492 HG11 VAL 64 HG11 VAL 64 12.082 0.135 -10.516 493 HG12 VAL 64 HG12 VAL 64 11.919 -1.059 -11.804 494 HG13 VAL 64 HG13 VAL 64 13.506 -0.391 -11.411 495 HG21 VAL 64 HG21 VAL 64 11.009 -1.378 -8.797 496 HG22 VAL 64 HG22 VAL 64 11.633 -3.007 -8.534 497 HG23 VAL 64 HG23 VAL 64 10.754 -2.628 -10.014 498 H ASN 65 HN ASN 65 15.536 -2.476 -9.432 499 HA ASN 65 HA ASN 65 17.125 -1.050 -11.190 500 HB2 ASN 65 HB2 ASN 65 17.387 -1.273 -8.684 501 HB3 ASN 65 HB1 ASN 65 18.074 -2.869 -8.926 502 HD21 ASN 65 HD21 ASN 65 18.596 0.536 -9.123 503 HD22 ASN 65 HD22 ASN 65 20.296 0.478 -9.392 504 H ASP 66 HN ASP 66 17.036 -4.573 -10.669 505 HA ASP 66 HA ASP 66 19.256 -5.049 -12.536 506 HB2 ASP 66 HB2 ASP 66 19.298 -5.971 -10.192 507 HB3 ASP 66 HB1 ASP 66 17.870 -6.927 -10.567 508 H GLY 67 HN GLY 67 16.259 -4.453 -13.155 509 HA2 GLY 67 HA2 GLY 67 14.824 -4.915 -14.871 510 HA3 GLY 67 HA1 GLY 67 16.135 -5.824 -15.599 511 H LYS 68 HN LYS 68 15.171 -6.965 -12.535 512 HA LYS 68 HA LYS 68 14.093 -9.427 -13.617 513 HB2 LYS 68 HB2 LYS 68 14.517 -8.481 -10.750 514 HB3 LYS 68 HB1 LYS 68 14.018 -10.107 -11.203 515 HG2 LYS 68 HG2 LYS 68 16.660 -8.798 -11.954 516 HG3 LYS 68 HG1 LYS 68 16.431 -9.979 -10.659 517 HD2 LYS 68 HD2 LYS 68 15.766 -11.688 -12.297 518 HD3 LYS 68 HD1 LYS 68 15.881 -10.512 -13.608 519 HE2 LYS 68 HE2 LYS 68 18.221 -11.421 -11.892 520 HE3 LYS 68 HE1 LYS 68 17.840 -12.048 -13.500 521 HZ1 LYS 68 HZ1 LYS 68 18.555 -9.240 -12.834 522 HZ2 LYS 68 HZ2 LYS 68 18.121 -9.785 -14.376 523 HZ3 LYS 68 HZ3 LYS 68 19.533 -10.359 -13.642 524 H ALA 69 HN ALA 69 12.896 -6.465 -12.237 525 HA ALA 69 HA ALA 69 10.131 -7.188 -12.865 526 HB1 ALA 69 HB1 ALA 69 10.370 -7.763 -10.466 527 HB2 ALA 69 HB2 ALA 69 9.281 -6.393 -10.682 528 HB3 ALA 69 HB3 ALA 69 10.935 -6.121 -10.123 529 H THR 70 HN THR 70 8.707 -5.132 -12.635 530 HA THR 70 HA THR 70 10.213 -2.698 -13.428 531 HB THR 70 HB THR 70 8.085 -1.896 -14.401 532 HG1 THR 70 HG1 THR 70 6.255 -3.329 -14.419 533 HG21 THR 70 HG21 THR 70 7.805 -3.546 -16.232 534 HG22 THR 70 HG22 THR 70 8.716 -4.736 -15.303 535 HG23 THR 70 HG23 THR 70 9.512 -3.267 -15.875 536 H THR 71 HN THR 71 9.255 -0.605 -12.614 537 HA THR 71 HA THR 71 9.068 -0.459 -9.813 538 HB THR 71 HB THR 71 8.047 1.882 -10.220 539 HG1 THR 71 HG1 THR 71 8.487 2.447 -12.591 540 HG21 THR 71 HG21 THR 71 10.462 1.644 -9.880 541 HG22 THR 71 HG22 THR 71 10.128 2.872 -11.106 542 HG23 THR 71 HG23 THR 71 10.684 1.267 -11.587 543 H GLU 72 HN GLU 72 6.528 -0.303 -12.270 544 HA GLU 72 HA GLU 72 4.234 0.308 -11.034 545 HB2 GLU 72 HB2 GLU 72 4.521 -2.020 -12.974 546 HB3 GLU 72 HB1 GLU 72 3.060 -1.072 -12.702 547 HG2 GLU 72 HG2 GLU 72 4.033 0.872 -13.732 548 HG3 GLU 72 HG1 GLU 72 5.630 0.127 -13.787 549 H GLN 73 HN GLN 73 5.589 -2.925 -11.068 550 HA GLN 73 HA GLN 73 3.448 -4.329 -9.929 551 HB2 GLN 73 HB2 GLN 73 6.404 -5.060 -9.977 552 HB3 GLN 73 HB1 GLN 73 5.074 -6.193 -9.703 553 HG2 GLN 73 HG2 GLN 73 4.207 -5.779 -11.947 554 HG3 GLN 73 HG1 GLN 73 5.433 -4.549 -12.231 555 HE21 GLN 73 HE21 GLN 73 4.836 -6.973 -13.730 556 HE22 GLN 73 HE22 GLN 73 6.309 -7.874 -13.783 557 H TYR 74 HN TYR 74 5.961 -2.510 -8.302 558 HA TYR 74 HA TYR 74 4.920 -3.410 -5.659 559 HB2 TYR 74 HB2 TYR 74 7.661 -2.204 -6.240 560 HB3 TYR 74 HB1 TYR 74 7.117 -2.938 -4.732 561 HD1 TYR 74 HD2 TYR 74 6.141 -5.471 -5.127 562 HD2 TYR 74 HD1 TYR 74 9.113 -3.541 -7.527 563 HE1 TYR 74 HE2 TYR 74 6.962 -7.651 -5.867 564 HE2 TYR 74 HE1 TYR 74 9.921 -5.738 -8.277 565 HH TYR 74 HH TYR 74 9.890 -8.087 -7.441 566 H PHE 75 HN PHE 75 5.267 -0.667 -7.779 567 HA PHE 75 HA PHE 75 5.069 1.253 -5.538 568 HB2 PHE 75 HB2 PHE 75 6.517 1.564 -8.216 569 HB3 PHE 75 HB1 PHE 75 6.337 2.840 -7.016 570 HD1 PHE 75 HD1 PHE 75 7.523 2.647 -4.803 571 HD2 PHE 75 HD2 PHE 75 8.244 -0.146 -7.950 572 HE1 PHE 75 HE1 PHE 75 9.578 1.900 -3.693 573 HE2 PHE 75 HE2 PHE 75 10.295 -0.890 -6.834 574 HZ PHE 75 HZ PHE 75 10.966 0.131 -4.698 575 H VAL 76 HN VAL 76 3.072 -0.166 -7.539 576 HA VAL 76 HA VAL 76 1.424 2.286 -7.878 577 HB VAL 76 HB VAL 76 0.933 -0.544 -8.955 578 HG11 VAL 76 HG11 VAL 76 -0.865 1.899 -9.254 579 HG12 VAL 76 HG12 VAL 76 -1.210 0.480 -8.260 580 HG13 VAL 76 HG13 VAL 76 -1.113 0.326 -10.014 581 HG21 VAL 76 HG21 VAL 76 1.064 0.484 -11.189 582 HG22 VAL 76 HG22 VAL 76 2.570 0.721 -10.293 583 HG23 VAL 76 HG23 VAL 76 1.423 2.053 -10.458 584 H LEU 77 HN LEU 77 -0.442 2.440 -6.669 585 HA LEU 77 HA LEU 77 -0.269 1.594 -4.037 586 HB2 LEU 77 HB2 LEU 77 -2.247 3.108 -5.680 587 HB3 LEU 77 HB1 LEU 77 -2.841 2.482 -4.158 588 HG LEU 77 HG LEU 77 -2.084 4.799 -3.945 589 HD11 LEU 77 HD11 LEU 77 -0.726 4.546 -1.942 590 HD12 LEU 77 HD12 LEU 77 -0.354 2.876 -2.371 591 HD13 LEU 77 HD13 LEU 77 -2.014 3.344 -1.992 592 HD21 LEU 77 HD21 LEU 77 0.285 5.424 -4.087 593 HD22 LEU 77 HD22 LEU 77 -0.317 4.854 -5.639 594 HD23 LEU 77 HD23 LEU 77 0.698 3.800 -4.653 595 H LYS 78 HN LYS 78 -2.329 0.247 -6.622 596 HA LYS 78 HA LYS 78 -3.828 -1.491 -4.874 597 HB2 LYS 78 HB2 LYS 78 -4.678 -2.534 -6.978 598 HB3 LYS 78 HB1 LYS 78 -4.821 -0.777 -6.986 599 HG2 LYS 78 HG2 LYS 78 -2.773 -0.631 -8.382 600 HG3 LYS 78 HG1 LYS 78 -2.685 -2.395 -8.420 601 HD2 LYS 78 HD2 LYS 78 -4.833 -2.498 -9.617 602 HD3 LYS 78 HD1 LYS 78 -5.000 -0.740 -9.523 603 HE2 LYS 78 HE2 LYS 78 -2.976 -0.471 -10.928 604 HE3 LYS 78 HE1 LYS 78 -2.783 -2.224 -10.985 605 HZ1 LYS 78 HZ1 LYS 78 -5.124 -0.746 -12.065 606 HZ2 LYS 78 HZ2 LYS 78 -4.859 -2.411 -12.165 607 HZ3 LYS 78 HZ3 LYS 78 -3.834 -1.341 -12.980 608 H ASN 79 HN ASN 79 -0.940 -1.874 -6.881 609 HA ASN 79 HA ASN 79 -0.694 -4.719 -6.630 610 HB2 ASN 79 HB2 ASN 79 1.370 -2.619 -7.437 611 HB3 ASN 79 HB1 ASN 79 1.569 -4.359 -7.633 612 HD21 ASN 79 HD21 ASN 79 1.598 -2.276 -9.649 613 HD22 ASN 79 HD22 ASN 79 0.373 -2.684 -10.789 614 H LEU 80 HN LEU 80 0.940 -1.973 -5.162 615 HA LEU 80 HA LEU 80 2.538 -3.125 -3.236 616 HB2 LEU 80 HB2 LEU 80 2.559 -0.723 -3.742 617 HB3 LEU 80 HB1 LEU 80 0.921 -0.551 -3.134 618 HG LEU 80 HG LEU 80 1.758 -1.123 -0.826 619 HD11 LEU 80 HD11 LEU 80 4.518 -0.953 -2.065 620 HD12 LEU 80 HD12 LEU 80 3.756 -2.400 -1.400 621 HD13 LEU 80 HD13 LEU 80 4.156 -1.053 -0.341 622 HD21 LEU 80 HD21 LEU 80 2.786 1.052 -0.381 623 HD22 LEU 80 HD22 LEU 80 1.425 1.210 -1.488 624 HD23 LEU 80 HD23 LEU 80 3.077 1.287 -2.108 625 H ALA 81 HN ALA 81 -0.918 -2.224 -3.025 626 HA ALA 81 HA ALA 81 -1.342 -2.983 -0.330 627 HB1 ALA 81 HB1 ALA 81 -3.732 -2.821 -0.852 628 HB2 ALA 81 HB2 ALA 81 -3.366 -2.810 -2.584 629 HB3 ALA 81 HB3 ALA 81 -2.842 -1.471 -1.563 630 H ALA 82 HN ALA 82 -1.465 -4.819 -3.345 631 HA ALA 82 HA ALA 82 -2.618 -7.206 -2.295 632 HB1 ALA 82 HB1 ALA 82 -1.809 -8.261 -4.372 633 HB2 ALA 82 HB2 ALA 82 -0.837 -6.826 -4.726 634 HB3 ALA 82 HB3 ALA 82 -2.598 -6.718 -4.704 635 H ARG 83 HN ARG 83 0.734 -6.093 -2.773 636 HA ARG 83 HA ARG 83 2.117 -8.359 -1.888 637 HB2 ARG 83 HB2 ARG 83 2.990 -5.470 -1.477 638 HB3 ARG 83 HB1 ARG 83 4.032 -6.881 -1.471 639 HG2 ARG 83 HG2 ARG 83 2.777 -5.451 -3.809 640 HG3 ARG 83 HG1 ARG 83 4.465 -5.878 -3.539 641 HD2 ARG 83 HD2 ARG 83 2.190 -7.688 -4.390 642 HD3 ARG 83 HD1 ARG 83 3.659 -7.297 -5.282 643 HE ARG 83 HE ARG 83 4.822 -8.530 -3.333 644 HH11 ARG 83 HH11 ARG 83 1.678 -9.403 -4.627 645 HH12 ARG 83 HH12 ARG 83 1.824 -11.077 -4.203 646 HH21 ARG 83 HH21 ARG 83 5.000 -10.763 -2.786 647 HH22 ARG 83 HH22 ARG 83 3.685 -11.841 -3.138 648 H ILE 84 HN ILE 84 0.909 -5.577 -0.115 649 HA ILE 84 HA ILE 84 1.935 -6.172 2.462 650 HB ILE 84 HB ILE 84 -0.423 -4.467 1.573 651 HG12 ILE 84 HG12 ILE 84 2.379 -3.565 2.378 652 HG13 ILE 84 HG11 ILE 84 1.882 -3.828 0.710 653 HG21 ILE 84 HG21 ILE 84 0.932 -4.451 4.291 654 HG22 ILE 84 HG22 ILE 84 -0.693 -5.042 3.957 655 HG23 ILE 84 HG23 ILE 84 -0.320 -3.331 3.760 656 HD11 ILE 84 HD11 ILE 84 0.668 -1.815 2.596 657 HD12 ILE 84 HD12 ILE 84 0.220 -2.069 0.906 658 HD13 ILE 84 HD13 ILE 84 1.831 -1.484 1.314 659 H ASP 85 HN ASP 85 -1.226 -6.770 0.905 660 HA ASP 85 HA ASP 85 -2.586 -7.835 3.139 661 HB2 ASP 85 HB2 ASP 85 -3.738 -7.013 1.091 662 HB3 ASP 85 HB1 ASP 85 -3.093 -8.372 0.179 663 H GLU 86 HN GLU 86 -0.658 -9.407 0.589 664 HA GLU 86 HA GLU 86 -0.993 -12.097 1.345 665 HB2 GLU 86 HB2 GLU 86 1.335 -10.682 0.004 666 HB3 GLU 86 HB1 GLU 86 1.377 -12.410 0.344 667 HG2 GLU 86 HG2 GLU 86 -0.774 -12.604 -1.001 668 HG3 GLU 86 HG1 GLU 86 -0.510 -10.934 -1.503 669 H LEU 87 HN LEU 87 1.495 -9.730 2.356 670 HA LEU 87 HA LEU 87 2.886 -11.493 4.089 671 HB2 LEU 87 HB2 LEU 87 2.851 -8.459 3.942 672 HB3 LEU 87 HB1 LEU 87 3.928 -9.360 5.002 673 HG LEU 87 HG LEU 87 3.914 -9.496 1.959 674 HD11 LEU 87 HD11 LEU 87 6.107 -8.392 2.096 675 HD12 LEU 87 HD12 LEU 87 5.932 -8.252 3.847 676 HD13 LEU 87 HD13 LEU 87 4.822 -7.392 2.779 677 HD21 LEU 87 HD21 LEU 87 4.530 -11.669 2.919 678 HD22 LEU 87 HD22 LEU 87 5.753 -10.897 3.932 679 HD23 LEU 87 HD23 LEU 87 5.932 -10.898 2.175 680 H VAL 88 HN VAL 88 0.175 -9.275 4.694 681 HA VAL 88 HA VAL 88 0.249 -9.361 7.544 682 HB VAL 88 HB VAL 88 -2.046 -8.687 5.650 683 HG11 VAL 88 HG11 VAL 88 -1.921 -8.299 8.669 684 HG12 VAL 88 HG12 VAL 88 -3.002 -9.395 7.805 685 HG13 VAL 88 HG13 VAL 88 -3.183 -7.651 7.613 686 HG21 VAL 88 HG21 VAL 88 -1.552 -6.334 6.255 687 HG22 VAL 88 HG22 VAL 88 -0.147 -7.108 5.525 688 HG23 VAL 88 HG23 VAL 88 -0.212 -6.875 7.269 689 H ALA 89 HN ALA 89 -1.659 -11.143 5.139 690 HA ALA 89 HA ALA 89 -3.009 -12.853 6.958 691 HB1 ALA 89 HB1 ALA 89 -3.599 -14.172 4.962 692 HB2 ALA 89 HB2 ALA 89 -2.414 -13.267 4.010 693 HB3 ALA 89 HB3 ALA 89 -3.824 -12.444 4.681 694 H ALA 90 HN ALA 90 0.116 -13.035 5.326 695 HA ALA 90 HA ALA 90 0.740 -15.738 5.851 696 HB1 ALA 90 HB1 ALA 90 2.615 -13.398 5.362 697 HB2 ALA 90 HB2 ALA 90 1.870 -14.406 4.121 698 HB3 ALA 90 HB3 ALA 90 3.037 -15.111 5.240 699 H LYS 91 HN LYS 91 1.449 -12.724 7.638 700 HA LYS 91 HA LYS 91 3.143 -14.068 9.597 701 HB2 LYS 91 HB2 LYS 91 3.469 -11.832 10.577 702 HB3 LYS 91 HB1 LYS 91 3.732 -11.812 8.839 703 HG2 LYS 91 HG2 LYS 91 2.564 -9.854 9.112 704 HG3 LYS 91 HG1 LYS 91 1.254 -10.967 8.737 705 HD2 LYS 91 HD2 LYS 91 0.793 -11.131 11.211 706 HD3 LYS 91 HD1 LYS 91 2.018 -9.887 11.482 707 HE2 LYS 91 HE2 LYS 91 0.725 -8.282 10.163 708 HE3 LYS 91 HE1 LYS 91 -0.455 -9.526 9.749 709 HZ1 LYS 91 HZ1 LYS 91 -1.356 -8.227 11.465 710 HZ2 LYS 91 HZ2 LYS 91 0.041 -8.329 12.409 711 HZ3 LYS 91 HZ3 LYS 91 -0.916 -9.702 12.172 712 H GLY 92 HN GLY 92 -0.171 -13.173 9.239 713 HA2 GLY 92 HA2 GLY 92 -0.975 -12.981 11.959 714 HA3 GLY 92 HA1 GLY 92 -2.024 -13.274 10.577 715 H ALA 93 HN ALA 93 -0.520 -15.639 9.759 716 HA ALA 93 HA ALA 93 -1.492 -17.615 11.740 717 HB1 ALA 93 HB1 ALA 93 -2.454 -17.797 9.478 718 HB2 ALA 93 HB2 ALA 93 -1.469 -19.210 9.858 719 HB3 ALA 93 HB3 ALA 93 -0.839 -17.954 8.788 720 H LEU 94 HN LEU 94 1.131 -17.329 9.340 721 HA LEU 94 HA LEU 94 3.014 -18.766 11.118 722 HB2 LEU 94 HB2 LEU 94 2.311 -19.644 8.757 723 HB3 LEU 94 HB1 LEU 94 3.323 -18.366 8.119 724 HG LEU 94 HG LEU 94 4.384 -20.566 9.951 725 HD11 LEU 94 HD11 LEU 94 3.468 -21.576 7.921 726 HD12 LEU 94 HD12 LEU 94 5.228 -21.674 7.925 727 HD13 LEU 94 HD13 LEU 94 4.411 -20.474 6.916 728 HD21 LEU 94 HD21 LEU 94 5.860 -18.633 8.115 729 HD22 LEU 94 HD22 LEU 94 6.602 -19.923 9.069 730 HD23 LEU 94 HD23 LEU 94 5.824 -18.567 9.880 731 H GLU 95 HN GLU 95 3.347 -16.797 12.266 732 HA GLU 95 HA GLU 95 4.442 -14.411 11.224 733 HB2 GLU 95 HB2 GLU 95 5.263 -14.106 13.641 734 HB3 GLU 95 HB1 GLU 95 3.529 -14.322 13.412 735 HG2 GLU 95 HG2 GLU 95 3.817 -16.756 14.010 736 HG3 GLU 95 HG1 GLU 95 5.509 -16.417 14.377 737 H HIS 96 HN HIS 96 6.328 -14.192 10.150 738 HA HIS 96 HA HIS 96 8.592 -16.010 10.753 739 HB2 HIS 96 HB2 HIS 96 9.009 -16.299 8.342 740 HB3 HIS 96 HB1 HIS 96 7.398 -16.864 8.760 741 HD1 HIS 96 HD1 HIS 96 5.373 -15.370 7.918 742 HD2 HIS 96 HD2 HIS 96 9.099 -14.289 6.428 743 HE1 HIS 96 HE1 HIS 96 4.908 -13.770 6.040 744 HE2 HIS 96 HE2 HIS 96 7.173 -13.228 5.077 745 H HIS 97 HN HIS 97 10.287 -14.862 11.335 746 HA HIS 97 HA HIS 97 12.146 -13.639 11.151 747 HB2 HIS 97 HB2 HIS 97 11.896 -14.456 8.727 748 HB3 HIS 97 HB1 HIS 97 11.288 -12.850 8.340 749 HD1 HIS 97 HD1 HIS 97 13.126 -11.639 7.180 750 HD2 HIS 97 HD2 HIS 97 14.574 -13.956 10.305 751 HE1 HIS 97 HE1 HIS 97 15.596 -11.206 7.246 752 HE2 HIS 97 HE2 HIS 97 16.469 -12.681 9.092 753 H HIS 98 HN HIS 98 9.337 -12.211 11.648 754 HA HIS 98 HA HIS 98 10.388 -9.719 12.492 755 HB2 HIS 98 HB2 HIS 98 10.272 -9.135 10.092 756 HB3 HIS 98 HB1 HIS 98 8.575 -9.593 10.039 757 HD1 HIS 98 HD1 HIS 98 10.848 -6.956 11.525 758 HD2 HIS 98 HD2 HIS 98 6.825 -7.560 10.690 759 HE1 HIS 98 HE1 HIS 98 9.741 -4.738 11.906 760 HE2 HIS 98 HE2 HIS 98 7.389 -5.061 11.077 761 H HIS 99 HN HIS 99 9.100 -8.829 13.988 762 HA HIS 99 HA HIS 99 6.204 -9.412 14.083 763 HB2 HIS 99 HB2 HIS 99 8.109 -9.355 16.476 764 HB3 HIS 99 HB1 HIS 99 6.358 -9.520 16.576 765 HD1 HIS 99 HD1 HIS 99 9.087 -11.542 17.079 766 HD2 HIS 99 HD2 HIS 99 5.724 -11.989 14.672 767 HE1 HIS 99 HE1 HIS 99 8.895 -14.004 16.637 768 HE2 HIS 99 HE2 HIS 99 6.732 -14.260 15.387 769 H HIS 100 HN HIS 100 5.077 -7.764 15.531 770 HA HIS 100 HA HIS 100 6.406 -5.394 16.384 771 HB2 HIS 100 HB2 HIS 100 6.267 -4.845 13.952 772 HB3 HIS 100 HB1 HIS 100 4.524 -5.062 13.997 773 HD1 HIS 100 HD1 HIS 100 3.173 -3.258 15.444 774 HD2 HIS 100 HD2 HIS 100 7.154 -2.342 14.695 775 HE1 HIS 100 HE1 HIS 100 3.412 -0.819 15.999 776 HE2 HIS 100 HE2 HIS 100 5.831 -0.296 15.570 777 H HIS 101 HN HIS 101 5.429 -5.478 18.323 778 HA HIS 101 HA HIS 101 2.558 -5.931 18.622 779 HB2 HIS 101 HB2 HIS 101 2.974 -5.875 21.052 780 HB3 HIS 101 HB1 HIS 101 4.076 -6.982 20.252 781 HD1 HIS 101 HD1 HIS 101 6.578 -6.462 20.380 782 HD2 HIS 101 HD2 HIS 101 4.210 -3.590 22.219 783 HE1 HIS 101 HE1 HIS 101 8.163 -5.024 21.689 784 HE2 HIS 101 HE2 HIS 101 6.732 -3.178 22.616 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -12.952 3.136 1.230 2 H2 MET 1 HT2 MET 1 -13.960 3.218 2.584 3 H3 MET 1 HT3 MET 1 -14.632 3.013 1.050 4 HA MET 1 HA MET 1 -14.651 0.954 2.288 5 HB2 MET 1 HB2 MET 1 -12.614 0.893 0.012 6 HB3 MET 1 HB1 MET 1 -13.527 -0.489 0.610 7 HG2 MET 1 HG2 MET 1 -15.614 0.579 -0.163 8 HG3 MET 1 HG1 MET 1 -14.673 1.941 -0.784 9 HE1 MET 1 HE1 MET 1 -12.077 0.373 -1.959 10 HE2 MET 1 HE2 MET 1 -12.901 1.681 -2.822 11 HE3 MET 1 HE3 MET 1 -12.584 0.153 -3.637 12 H THR 2 HN THR 2 -13.755 0.274 4.172 13 HA THR 2 HA THR 2 -11.118 0.780 5.067 14 HB THR 2 HB THR 2 -11.670 -1.050 6.791 15 HG1 THR 2 HG1 THR 2 -13.170 -2.208 5.480 16 HG21 THR 2 HG21 THR 2 -12.134 1.326 7.288 17 HG22 THR 2 HG22 THR 2 -13.381 0.279 7.968 18 HG23 THR 2 HG23 THR 2 -13.706 1.195 6.492 19 H SER 3 HN SER 3 -9.512 0.104 3.738 20 HA SER 3 HA SER 3 -9.089 -2.743 3.220 21 HB2 SER 3 HB2 SER 3 -10.403 -1.958 1.266 22 HB3 SER 3 HB1 SER 3 -9.247 -0.657 0.995 23 HG SER 3 HG SER 3 -8.290 -2.064 -0.230 24 H THR 4 HN THR 4 -6.917 -3.128 2.315 25 HA THR 4 HA THR 4 -4.866 -1.854 3.743 26 HB THR 4 HB THR 4 -4.570 -3.482 1.175 27 HG1 THR 4 HG1 THR 4 -5.394 -4.196 3.694 28 HG21 THR 4 HG21 THR 4 -2.473 -2.356 1.848 29 HG22 THR 4 HG22 THR 4 -2.358 -4.098 2.091 30 HG23 THR 4 HG23 THR 4 -2.614 -3.033 3.474 31 H PHE 5 HN PHE 5 -5.910 -1.488 0.331 32 HA PHE 5 HA PHE 5 -4.149 0.443 -0.617 33 HB2 PHE 5 HB2 PHE 5 -5.682 -0.467 -2.201 34 HB3 PHE 5 HB1 PHE 5 -7.081 -0.092 -1.207 35 HD1 PHE 5 HD1 PHE 5 -4.266 1.786 -2.906 36 HD2 PHE 5 HD2 PHE 5 -8.443 1.667 -1.965 37 HE1 PHE 5 HE1 PHE 5 -4.613 3.901 -4.114 38 HE2 PHE 5 HE2 PHE 5 -8.775 3.772 -3.191 39 HZ PHE 5 HZ PHE 5 -6.859 4.895 -4.262 40 H ASP 6 HN ASP 6 -7.201 0.939 1.132 41 HA ASP 6 HA ASP 6 -7.250 3.749 1.079 42 HB2 ASP 6 HB2 ASP 6 -9.241 2.385 1.585 43 HB3 ASP 6 HB1 ASP 6 -8.501 1.822 3.081 44 H ARG 7 HN ARG 7 -5.986 1.485 3.540 45 HA ARG 7 HA ARG 7 -5.315 3.405 5.501 46 HB2 ARG 7 HB2 ARG 7 -4.087 0.647 5.051 47 HB3 ARG 7 HB1 ARG 7 -3.941 1.608 6.523 48 HG2 ARG 7 HG2 ARG 7 -6.473 0.360 5.408 49 HG3 ARG 7 HG1 ARG 7 -5.577 -0.156 6.837 50 HD2 ARG 7 HD2 ARG 7 -6.099 2.045 7.902 51 HD3 ARG 7 HD1 ARG 7 -7.075 2.463 6.488 52 HE ARG 7 HE ARG 7 -7.851 -0.029 7.707 53 HH11 ARG 7 HH11 ARG 7 -8.310 3.451 7.884 54 HH12 ARG 7 HH12 ARG 7 -9.827 3.326 8.713 55 HH21 ARG 7 HH21 ARG 7 -9.814 -0.188 8.798 56 HH22 ARG 7 HH22 ARG 7 -10.678 1.249 9.246 57 H VAL 8 HN VAL 8 -3.446 2.003 2.811 58 HA VAL 8 HA VAL 8 -0.939 3.213 3.518 59 HB VAL 8 HB VAL 8 -1.922 1.922 0.934 60 HG11 VAL 8 HG11 VAL 8 0.463 1.823 0.226 61 HG12 VAL 8 HG12 VAL 8 0.910 2.798 1.627 62 HG13 VAL 8 HG13 VAL 8 -0.109 3.488 0.364 63 HG21 VAL 8 HG21 VAL 8 -0.093 0.862 3.126 64 HG22 VAL 8 HG22 VAL 8 -0.558 -0.001 1.658 65 HG23 VAL 8 HG23 VAL 8 -1.776 0.390 2.872 66 H ALA 9 HN ALA 9 -3.623 4.013 1.371 67 HA ALA 9 HA ALA 9 -2.559 6.298 0.111 68 HB1 ALA 9 HB1 ALA 9 -5.463 5.621 0.727 69 HB2 ALA 9 HB2 ALA 9 -4.569 5.126 -0.711 70 HB3 ALA 9 HB3 ALA 9 -4.910 6.835 -0.433 71 H THR 10 HN THR 10 -4.328 5.843 3.152 72 HA THR 10 HA THR 10 -4.498 8.518 4.008 73 HB THR 10 HB THR 10 -4.223 6.043 5.779 74 HG1 THR 10 HG1 THR 10 -6.050 6.453 4.013 75 HG21 THR 10 HG21 THR 10 -5.564 8.719 6.355 76 HG22 THR 10 HG22 THR 10 -4.030 8.178 7.041 77 HG23 THR 10 HG23 THR 10 -5.519 7.321 7.436 78 H ILE 11 HN ILE 11 -2.022 6.009 4.671 79 HA ILE 11 HA ILE 11 -0.293 7.502 6.278 80 HB ILE 11 HB ILE 11 0.235 5.137 4.428 81 HG12 ILE 11 HG12 ILE 11 0.038 5.307 7.472 82 HG13 ILE 11 HG11 ILE 11 -1.236 4.735 6.406 83 HG21 ILE 11 HG21 ILE 11 2.427 4.797 5.538 84 HG22 ILE 11 HG22 ILE 11 2.227 6.324 6.400 85 HG23 ILE 11 HG23 ILE 11 2.376 6.317 4.643 86 HD11 ILE 11 HD11 ILE 11 -0.117 2.885 7.491 87 HD12 ILE 11 HD12 ILE 11 1.441 3.408 6.854 88 HD13 ILE 11 HD13 ILE 11 0.187 2.830 5.756 89 H ILE 12 HN ILE 12 -0.253 7.081 2.725 90 HA ILE 12 HA ILE 12 1.961 8.694 2.128 91 HB ILE 12 HB ILE 12 -0.472 7.893 0.487 92 HG12 ILE 12 HG12 ILE 12 2.443 6.988 0.409 93 HG13 ILE 12 HG11 ILE 12 1.092 6.069 1.059 94 HG21 ILE 12 HG21 ILE 12 0.676 8.710 -1.558 95 HG22 ILE 12 HG22 ILE 12 1.920 9.449 -0.549 96 HG23 ILE 12 HG23 ILE 12 0.256 10.028 -0.461 97 HD11 ILE 12 HD11 ILE 12 1.766 5.221 -1.096 98 HD12 ILE 12 HD12 ILE 12 1.510 6.795 -1.845 99 HD13 ILE 12 HD13 ILE 12 0.140 5.890 -1.196 100 H ALA 13 HN ALA 13 -1.534 9.485 2.074 101 HA ALA 13 HA ALA 13 -1.525 12.149 1.493 102 HB1 ALA 13 HB1 ALA 13 -3.696 12.275 2.654 103 HB2 ALA 13 HB2 ALA 13 -3.350 10.748 3.472 104 HB3 ALA 13 HB3 ALA 13 -3.562 10.782 1.720 105 H GLU 14 HN GLU 14 -1.142 10.729 4.718 106 HA GLU 14 HA GLU 14 -0.832 13.095 6.206 107 HB2 GLU 14 HB2 GLU 14 0.025 10.223 6.710 108 HB3 GLU 14 HB1 GLU 14 0.269 11.494 7.904 109 HG2 GLU 14 HG2 GLU 14 -2.428 10.684 6.776 110 HG3 GLU 14 HG1 GLU 14 -1.765 10.091 8.295 111 H THR 15 HN THR 15 1.542 11.030 4.519 112 HA THR 15 HA THR 15 3.815 12.167 5.882 113 HB THR 15 HB THR 15 3.768 10.300 3.465 114 HG1 THR 15 HG1 THR 15 2.830 9.751 5.707 115 HG21 THR 15 HG21 THR 15 5.972 11.401 3.731 116 HG22 THR 15 HG22 THR 15 6.074 9.697 4.167 117 HG23 THR 15 HG23 THR 15 6.015 10.921 5.433 118 H CYS 16 HN CYS 16 2.538 12.349 2.509 119 HA CYS 16 HA CYS 16 4.616 14.183 1.669 120 HB2 CYS 16 HB2 CYS 16 2.310 12.941 0.111 121 HB3 CYS 16 HB1 CYS 16 3.737 13.723 -0.568 122 HG CYS 16 HG CYS 16 5.320 11.614 0.919 123 H ASP 17 HN ASP 17 1.933 14.682 3.397 124 HA ASP 17 HA ASP 17 0.199 16.073 3.624 125 HB2 ASP 17 HB2 ASP 17 2.164 17.487 4.170 126 HB3 ASP 17 HB1 ASP 17 2.246 18.032 2.499 127 H ILE 18 HN ILE 18 -1.061 14.969 2.030 128 HA ILE 18 HA ILE 18 -2.091 16.700 -0.077 129 HB ILE 18 HB ILE 18 -2.188 14.582 -1.669 130 HG12 ILE 18 HG12 ILE 18 0.262 13.869 0.012 131 HG13 ILE 18 HG11 ILE 18 -1.231 12.951 -0.069 132 HG21 ILE 18 HG21 ILE 18 -0.139 15.253 -2.836 133 HG22 ILE 18 HG22 ILE 18 0.403 16.134 -1.405 134 HG23 ILE 18 HG23 ILE 18 -1.043 16.659 -2.270 135 HD11 ILE 18 HD11 ILE 18 0.523 11.906 -1.365 136 HD12 ILE 18 HD12 ILE 18 0.710 13.367 -2.332 137 HD13 ILE 18 HD13 ILE 18 -0.788 12.436 -2.422 138 HA PRO 19 HA PRO 19 -5.984 14.753 1.238 139 HB2 PRO 19 HB2 PRO 19 -6.948 14.848 -1.591 140 HB3 PRO 19 HB1 PRO 19 -7.617 15.631 -0.156 141 HG2 PRO 19 HG2 PRO 19 -6.348 17.037 -2.071 142 HG3 PRO 19 HG1 PRO 19 -6.224 17.491 -0.355 143 HD2 PRO 19 HD2 PRO 19 -4.241 15.997 -2.079 144 HD3 PRO 19 HD1 PRO 19 -3.948 17.273 -0.872 145 H ARG 20 HN ARG 20 -6.594 12.612 1.446 146 HA ARG 20 HA ARG 20 -5.146 10.482 0.404 147 HB2 ARG 20 HB2 ARG 20 -6.489 10.390 2.491 148 HB3 ARG 20 HB1 ARG 20 -7.969 10.459 1.541 149 HG2 ARG 20 HG2 ARG 20 -7.094 8.255 0.431 150 HG3 ARG 20 HG1 ARG 20 -5.990 8.186 1.807 151 HD2 ARG 20 HD2 ARG 20 -9.022 8.236 1.927 152 HD3 ARG 20 HD1 ARG 20 -7.981 6.846 2.221 153 HE ARG 20 HE ARG 20 -7.253 8.914 3.988 154 HH11 ARG 20 HH11 ARG 20 -9.862 6.603 3.520 155 HH12 ARG 20 HH12 ARG 20 -10.353 6.660 5.182 156 HH21 ARG 20 HH21 ARG 20 -7.901 8.946 6.152 157 HH22 ARG 20 HH22 ARG 20 -9.244 7.983 6.674 158 H GLU 21 HN GLU 21 -7.903 12.101 -0.955 159 HA GLU 21 HA GLU 21 -8.962 9.929 -2.515 160 HB2 GLU 21 HB2 GLU 21 -10.483 11.699 -3.423 161 HB3 GLU 21 HB1 GLU 21 -10.460 11.642 -1.662 162 HG2 GLU 21 HG2 GLU 21 -8.836 13.587 -1.695 163 HG3 GLU 21 HG1 GLU 21 -9.094 13.699 -3.439 164 H THR 22 HN THR 22 -6.481 12.343 -2.948 165 HA THR 22 HA THR 22 -6.500 12.304 -5.841 166 HB THR 22 HB THR 22 -4.525 13.749 -5.716 167 HG1 THR 22 HG1 THR 22 -4.445 13.891 -2.948 168 HG21 THR 22 HG21 THR 22 -5.431 15.635 -4.422 169 HG22 THR 22 HG22 THR 22 -6.552 14.554 -3.592 170 HG23 THR 22 HG23 THR 22 -6.718 14.834 -5.329 171 H ILE 23 HN ILE 23 -5.383 10.177 -3.454 172 HA ILE 23 HA ILE 23 -3.315 8.944 -5.118 173 HB ILE 23 HB ILE 23 -4.482 8.153 -2.391 174 HG12 ILE 23 HG12 ILE 23 -2.006 8.604 -1.639 175 HG13 ILE 23 HG11 ILE 23 -1.850 9.486 -3.152 176 HG21 ILE 23 HG21 ILE 23 -3.853 6.138 -3.605 177 HG22 ILE 23 HG22 ILE 23 -2.721 6.419 -2.283 178 HG23 ILE 23 HG23 ILE 23 -2.252 6.801 -3.940 179 HD11 ILE 23 HD11 ILE 23 -3.783 10.109 -0.924 180 HD12 ILE 23 HD12 ILE 23 -3.594 11.025 -2.425 181 HD13 ILE 23 HD13 ILE 23 -2.267 10.944 -1.267 182 H THR 24 HN THR 24 -4.113 7.736 -6.807 183 HA THR 24 HA THR 24 -6.746 6.422 -6.644 184 HB THR 24 HB THR 24 -6.506 6.096 -9.109 185 HG1 THR 24 HG1 THR 24 -4.209 7.709 -9.136 186 HG21 THR 24 HG21 THR 24 -5.950 8.970 -8.266 187 HG22 THR 24 HG22 THR 24 -7.541 8.199 -8.277 188 HG23 THR 24 HG23 THR 24 -6.669 8.459 -9.791 189 HA PRO 25 HA PRO 25 -5.112 2.230 -6.229 190 HB2 PRO 25 HB2 PRO 25 -6.797 1.398 -8.585 191 HB3 PRO 25 HB1 PRO 25 -6.742 0.733 -6.945 192 HG2 PRO 25 HG2 PRO 25 -8.793 2.255 -7.687 193 HG3 PRO 25 HG1 PRO 25 -8.095 2.437 -6.063 194 HD2 PRO 25 HD2 PRO 25 -7.688 4.172 -8.504 195 HD3 PRO 25 HD1 PRO 25 -7.954 4.649 -6.810 196 H GLU 26 HN GLU 26 -5.196 3.648 -9.444 197 HA GLU 26 HA GLU 26 -3.147 1.826 -10.531 198 HB2 GLU 26 HB2 GLU 26 -3.756 2.849 -12.719 199 HB3 GLU 26 HB1 GLU 26 -5.151 2.165 -11.889 200 HG2 GLU 26 HG2 GLU 26 -5.774 4.468 -11.120 201 HG3 GLU 26 HG1 GLU 26 -4.434 5.113 -12.072 202 H SER 27 HN SER 27 -2.946 4.334 -8.602 203 HA SER 27 HA SER 27 -1.211 6.159 -10.017 204 HB2 SER 27 HB2 SER 27 -2.663 6.943 -8.160 205 HB3 SER 27 HB1 SER 27 -1.776 5.930 -7.024 206 HG SER 27 HG SER 27 -1.119 8.336 -8.128 207 H HIS 28 HN HIS 28 0.911 5.877 -10.305 208 HA HIS 28 HA HIS 28 2.469 3.962 -8.767 209 HB2 HIS 28 HB2 HIS 28 2.848 4.523 -11.258 210 HB3 HIS 28 HB1 HIS 28 3.505 6.071 -10.726 211 HD2 HIS 28 HD2 HIS 28 4.549 2.421 -11.184 212 HE1 HIS 28 HE1 HIS 28 7.699 4.402 -9.171 213 HE2 HIS 28 HE2 HIS 28 7.060 2.391 -10.562 214 H ALA 29 HN ALA 29 3.201 4.538 -6.739 215 HA ALA 29 HA ALA 29 2.883 6.879 -5.413 216 HB1 ALA 29 HB1 ALA 29 4.555 6.053 -3.814 217 HB2 ALA 29 HB2 ALA 29 5.149 4.901 -5.018 218 HB3 ALA 29 HB3 ALA 29 3.513 4.743 -4.377 219 H ILE 30 HN ILE 30 5.610 6.125 -7.564 220 HA ILE 30 HA ILE 30 7.148 8.420 -6.522 221 HB ILE 30 HB ILE 30 8.055 6.180 -8.383 222 HG12 ILE 30 HG12 ILE 30 8.605 6.580 -5.401 223 HG13 ILE 30 HG11 ILE 30 7.507 5.382 -6.077 224 HG21 ILE 30 HG21 ILE 30 9.708 8.349 -7.032 225 HG22 ILE 30 HG22 ILE 30 9.373 8.225 -8.760 226 HG23 ILE 30 HG23 ILE 30 10.358 6.998 -7.965 227 HD11 ILE 30 HD11 ILE 30 10.497 5.464 -6.472 228 HD12 ILE 30 HD12 ILE 30 9.392 4.268 -7.156 229 HD13 ILE 30 HD13 ILE 30 9.598 4.379 -5.410 230 H ASP 31 HN ASP 31 5.831 7.076 -9.537 231 HA ASP 31 HA ASP 31 6.845 9.224 -11.196 232 HB2 ASP 31 HB2 ASP 31 6.858 6.912 -12.052 233 HB3 ASP 31 HB1 ASP 31 5.107 6.818 -11.891 234 H ASP 32 HN ASP 32 3.751 8.354 -9.747 235 HA ASP 32 HA ASP 32 2.279 10.391 -11.298 236 HB2 ASP 32 HB2 ASP 32 1.331 8.067 -11.059 237 HB3 ASP 32 HB1 ASP 32 1.186 8.327 -9.331 238 H LEU 33 HN LEU 33 2.391 9.297 -7.866 239 HA LEU 33 HA LEU 33 1.319 11.745 -6.831 240 HB2 LEU 33 HB2 LEU 33 2.766 9.492 -5.374 241 HB3 LEU 33 HB1 LEU 33 1.839 10.768 -4.595 242 HG LEU 33 HG LEU 33 0.692 8.648 -6.453 243 HD11 LEU 33 HD11 LEU 33 -0.336 7.673 -4.460 244 HD12 LEU 33 HD12 LEU 33 0.486 8.853 -3.436 245 HD13 LEU 33 HD13 LEU 33 1.423 7.667 -4.346 246 HD21 LEU 33 HD21 LEU 33 -1.520 9.497 -5.728 247 HD22 LEU 33 HD22 LEU 33 -0.595 10.703 -6.617 248 HD23 LEU 33 HD23 LEU 33 -0.725 10.815 -4.858 249 H GLY 34 HN GLY 34 4.434 10.929 -7.881 250 HA2 GLY 34 HA2 GLY 34 6.392 12.099 -7.969 251 HA3 GLY 34 HA1 GLY 34 5.518 13.483 -7.333 252 H ILE 35 HN ILE 35 5.841 10.373 -5.702 253 HA ILE 35 HA ILE 35 7.016 11.632 -3.343 254 HB ILE 35 HB ILE 35 6.298 8.702 -3.870 255 HG12 ILE 35 HG12 ILE 35 4.739 10.738 -2.217 256 HG13 ILE 35 HG11 ILE 35 4.325 10.284 -3.869 257 HG21 ILE 35 HG21 ILE 35 6.490 8.388 -1.414 258 HG22 ILE 35 HG22 ILE 35 7.034 10.058 -1.242 259 HG23 ILE 35 HG23 ILE 35 8.028 8.893 -2.122 260 HD11 ILE 35 HD11 ILE 35 4.345 8.438 -1.476 261 HD12 ILE 35 HD12 ILE 35 3.949 7.975 -3.135 262 HD13 ILE 35 HD13 ILE 35 2.933 9.126 -2.274 263 H ASP 36 HN ASP 36 9.199 11.795 -3.173 264 HA ASP 36 HA ASP 36 11.096 10.640 -4.874 265 HB2 ASP 36 HB2 ASP 36 11.418 12.669 -3.392 266 HB3 ASP 36 HB1 ASP 36 11.559 11.592 -2.008 267 H SER 37 HN SER 37 12.537 8.867 -4.567 268 HA SER 37 HA SER 37 11.370 6.497 -3.622 269 HB2 SER 37 HB2 SER 37 14.291 7.054 -4.276 270 HB3 SER 37 HB1 SER 37 13.545 5.457 -4.187 271 HG SER 37 HG SER 37 12.844 7.535 -6.003 272 H LEU 38 HN LEU 38 13.633 8.727 -2.070 273 HA LEU 38 HA LEU 38 14.393 7.008 0.120 274 HB2 LEU 38 HB2 LEU 38 14.605 10.040 -0.088 275 HB3 LEU 38 HB1 LEU 38 15.471 9.016 1.053 276 HG LEU 38 HG LEU 38 15.884 9.068 -1.972 277 HD11 LEU 38 HD11 LEU 38 16.739 11.091 -0.884 278 HD12 LEU 38 HD12 LEU 38 18.053 10.091 -1.495 279 HD13 LEU 38 HD13 LEU 38 17.698 10.113 0.235 280 HD21 LEU 38 HD21 LEU 38 16.263 6.818 -1.076 281 HD22 LEU 38 HD22 LEU 38 17.383 7.461 0.129 282 HD23 LEU 38 HD23 LEU 38 17.778 7.554 -1.591 283 H ASP 39 HN ASP 39 11.970 9.511 -0.470 284 HA ASP 39 HA ASP 39 10.932 9.641 2.214 285 HB2 ASP 39 HB2 ASP 39 10.634 11.537 0.617 286 HB3 ASP 39 HB1 ASP 39 9.624 10.517 -0.408 287 H PHE 40 HN PHE 40 10.276 7.679 -0.637 288 HA PHE 40 HA PHE 40 7.839 6.516 0.362 289 HB2 PHE 40 HB2 PHE 40 8.386 6.667 -2.104 290 HB3 PHE 40 HB1 PHE 40 9.631 5.440 -1.863 291 HD1 PHE 40 HD1 PHE 40 5.975 5.994 -1.147 292 HD2 PHE 40 HD2 PHE 40 9.007 3.177 -2.252 293 HE1 PHE 40 HE1 PHE 40 4.274 4.237 -1.359 294 HE2 PHE 40 HE2 PHE 40 7.285 1.429 -2.469 295 HZ PHE 40 HZ PHE 40 4.923 1.957 -2.024 296 H LEU 41 HN LEU 41 11.269 5.797 0.678 297 HA LEU 41 HA LEU 41 11.102 3.223 1.855 298 HB2 LEU 41 HB2 LEU 41 13.083 5.489 2.324 299 HB3 LEU 41 HB1 LEU 41 13.290 3.870 2.976 300 HG LEU 41 HG LEU 41 13.199 4.541 0.007 301 HD11 LEU 41 HD11 LEU 41 15.224 5.441 1.025 302 HD12 LEU 41 HD12 LEU 41 15.611 4.071 -0.010 303 HD13 LEU 41 HD13 LEU 41 15.595 3.871 1.745 304 HD21 LEU 41 HD21 LEU 41 13.933 2.221 -0.331 305 HD22 LEU 41 HD22 LEU 41 12.368 2.291 0.472 306 HD23 LEU 41 HD23 LEU 41 13.820 1.924 1.407 307 H ASP 42 HN ASP 42 10.783 6.485 3.160 308 HA ASP 42 HA ASP 42 10.446 5.857 5.916 309 HB2 ASP 42 HB2 ASP 42 11.042 8.125 5.214 310 HB3 ASP 42 HB1 ASP 42 9.555 8.274 4.289 311 H ILE 43 HN ILE 43 8.125 6.437 3.278 312 HA ILE 43 HA ILE 43 5.731 6.057 4.731 313 HB ILE 43 HB ILE 43 6.252 5.594 1.753 314 HG12 ILE 43 HG12 ILE 43 5.149 8.027 3.234 315 HG13 ILE 43 HG11 ILE 43 6.735 7.908 2.481 316 HG21 ILE 43 HG21 ILE 43 3.564 5.918 3.161 317 HG22 ILE 43 HG22 ILE 43 4.184 4.421 2.463 318 HG23 ILE 43 HG23 ILE 43 3.811 5.787 1.418 319 HD11 ILE 43 HD11 ILE 43 4.066 7.918 1.084 320 HD12 ILE 43 HD12 ILE 43 5.622 7.684 0.281 321 HD13 ILE 43 HD13 ILE 43 5.273 9.203 1.105 322 H ALA 44 HN ALA 44 7.877 3.798 3.054 323 HA ALA 44 HA ALA 44 6.159 1.512 3.151 324 HB1 ALA 44 HB1 ALA 44 7.981 1.709 1.490 325 HB2 ALA 44 HB2 ALA 44 8.161 0.245 2.460 326 HB3 ALA 44 HB3 ALA 44 9.175 1.654 2.789 327 H PHE 45 HN PHE 45 8.739 2.812 5.189 328 HA PHE 45 HA PHE 45 8.825 0.654 7.061 329 HB2 PHE 45 HB2 PHE 45 10.642 2.436 6.548 330 HB3 PHE 45 HB1 PHE 45 9.747 3.498 7.627 331 HD1 PHE 45 HD1 PHE 45 11.047 -0.043 7.615 332 HD2 PHE 45 HD2 PHE 45 10.575 3.585 9.837 333 HE1 PHE 45 HE1 PHE 45 12.297 -1.018 9.489 334 HE2 PHE 45 HE2 PHE 45 11.821 2.591 11.705 335 HZ PHE 45 HZ PHE 45 12.686 0.295 11.534 336 H ALA 46 HN ALA 46 6.863 3.548 6.760 337 HA ALA 46 HA ALA 46 5.695 3.510 9.380 338 HB1 ALA 46 HB1 ALA 46 3.984 5.003 8.432 339 HB2 ALA 46 HB2 ALA 46 4.588 4.669 6.805 340 HB3 ALA 46 HB3 ALA 46 5.607 5.518 7.966 341 H ILE 47 HN ILE 47 4.781 2.179 6.238 342 HA ILE 47 HA ILE 47 2.385 0.827 6.951 343 HB ILE 47 HB ILE 47 4.432 0.245 4.760 344 HG12 ILE 47 HG12 ILE 47 1.751 1.673 4.465 345 HG13 ILE 47 HG11 ILE 47 3.278 2.518 4.680 346 HG21 ILE 47 HG21 ILE 47 1.599 -0.829 4.960 347 HG22 ILE 47 HG22 ILE 47 3.078 -1.763 5.189 348 HG23 ILE 47 HG23 ILE 47 2.709 -1.072 3.610 349 HD11 ILE 47 HD11 ILE 47 4.107 1.534 2.576 350 HD12 ILE 47 HD12 ILE 47 2.643 2.490 2.357 351 HD13 ILE 47 HD13 ILE 47 2.546 0.731 2.357 352 H ASP 48 HN ASP 48 5.779 -0.088 6.909 353 HA ASP 48 HA ASP 48 5.746 -2.815 7.429 354 HB2 ASP 48 HB2 ASP 48 7.684 -1.198 6.852 355 HB3 ASP 48 HB1 ASP 48 7.773 -0.839 8.562 356 H LYS 49 HN LYS 49 5.874 -0.073 9.673 357 HA LYS 49 HA LYS 49 5.697 -1.518 12.124 358 HB2 LYS 49 HB2 LYS 49 5.058 1.390 11.484 359 HB3 LYS 49 HB1 LYS 49 5.073 0.732 13.121 360 HG2 LYS 49 HG2 LYS 49 7.465 0.168 12.860 361 HG3 LYS 49 HG1 LYS 49 7.443 0.862 11.232 362 HD2 LYS 49 HD2 LYS 49 6.869 3.073 12.185 363 HD3 LYS 49 HD1 LYS 49 6.860 2.378 13.811 364 HE2 LYS 49 HE2 LYS 49 9.261 1.855 13.604 365 HE3 LYS 49 HE1 LYS 49 9.269 2.516 11.966 366 HZ1 LYS 49 HZ1 LYS 49 8.619 4.665 12.912 367 HZ2 LYS 49 HZ2 LYS 49 10.104 4.127 13.506 368 HZ3 LYS 49 HZ3 LYS 49 8.718 4.012 14.466 369 H ALA 50 HN ALA 50 3.253 0.216 10.188 370 HA ALA 50 HA ALA 50 1.112 0.120 11.984 371 HB1 ALA 50 HB1 ALA 50 0.998 0.260 8.949 372 HB2 ALA 50 HB2 ALA 50 1.187 1.635 10.038 373 HB3 ALA 50 HB3 ALA 50 -0.311 0.701 10.051 374 H PHE 51 HN PHE 51 1.815 -1.999 9.219 375 HA PHE 51 HA PHE 51 -0.419 -3.777 9.793 376 HB2 PHE 51 HB2 PHE 51 1.614 -3.696 7.530 377 HB3 PHE 51 HB1 PHE 51 0.359 -4.924 7.658 378 HD1 PHE 51 HD2 PHE 51 0.914 -1.249 7.234 379 HD2 PHE 51 HD1 PHE 51 -1.878 -4.472 6.939 380 HE1 PHE 51 HE2 PHE 51 -0.672 0.226 6.062 381 HE2 PHE 51 HE1 PHE 51 -3.455 -2.993 5.775 382 HZ PHE 51 HZ PHE 51 -2.854 -0.650 5.331 383 H GLY 52 HN GLY 52 2.766 -3.539 10.839 384 HA2 GLY 52 HA2 GLY 52 4.006 -4.891 12.222 385 HA3 GLY 52 HA1 GLY 52 2.618 -5.961 12.323 386 H ILE 53 HN ILE 53 4.293 -5.095 9.372 387 HA ILE 53 HA ILE 53 5.122 -7.914 8.932 388 HB ILE 53 HB ILE 53 4.634 -7.562 6.512 389 HG12 ILE 53 HG12 ILE 53 3.322 -4.920 7.340 390 HG13 ILE 53 HG11 ILE 53 4.893 -5.019 6.559 391 HG21 ILE 53 HG21 ILE 53 2.224 -7.038 8.292 392 HG22 ILE 53 HG22 ILE 53 2.922 -8.617 7.926 393 HG23 ILE 53 HG23 ILE 53 2.176 -7.667 6.642 394 HD11 ILE 53 HD11 ILE 53 3.822 -6.054 4.610 395 HD12 ILE 53 HD12 ILE 53 3.194 -4.449 4.980 396 HD13 ILE 53 HD13 ILE 53 2.255 -5.878 5.408 397 H LYS 54 HN LYS 54 6.890 -8.074 7.236 398 HA LYS 54 HA LYS 54 8.664 -5.697 7.188 399 HB2 LYS 54 HB2 LYS 54 9.497 -8.406 6.090 400 HB3 LYS 54 HB1 LYS 54 10.500 -7.089 6.688 401 HG2 LYS 54 HG2 LYS 54 9.691 -7.639 9.008 402 HG3 LYS 54 HG1 LYS 54 8.881 -9.056 8.329 403 HD2 LYS 54 HD2 LYS 54 11.859 -8.470 8.459 404 HD3 LYS 54 HD1 LYS 54 10.991 -9.825 9.180 405 HE2 LYS 54 HE2 LYS 54 11.554 -9.368 6.229 406 HE3 LYS 54 HE1 LYS 54 12.255 -10.608 7.261 407 HZ1 LYS 54 HZ1 LYS 54 10.077 -11.612 7.477 408 HZ2 LYS 54 HZ2 LYS 54 10.523 -11.492 5.852 409 HZ3 LYS 54 HZ3 LYS 54 9.395 -10.414 6.496 410 H LEU 55 HN LEU 55 8.025 -4.432 5.442 411 HA LEU 55 HA LEU 55 7.429 -5.550 2.862 412 HB2 LEU 55 HB2 LEU 55 8.291 -2.735 3.655 413 HB3 LEU 55 HB1 LEU 55 7.885 -3.204 2.007 414 HG LEU 55 HG LEU 55 5.993 -3.081 4.394 415 HD11 LEU 55 HD11 LEU 55 4.795 -1.418 3.031 416 HD12 LEU 55 HD12 LEU 55 6.028 -1.545 1.773 417 HD13 LEU 55 HD13 LEU 55 6.450 -0.918 3.367 418 HD21 LEU 55 HD21 LEU 55 5.360 -4.092 1.599 419 HD22 LEU 55 HD22 LEU 55 4.217 -3.862 2.923 420 HD23 LEU 55 HD23 LEU 55 5.473 -5.082 3.055 421 HA PRO 56 HA PRO 56 11.878 -6.159 1.935 422 HB2 PRO 56 HB2 PRO 56 11.093 -7.695 -0.416 423 HB3 PRO 56 HB1 PRO 56 11.791 -8.300 1.086 424 HG2 PRO 56 HG2 PRO 56 9.197 -8.816 0.252 425 HG3 PRO 56 HG1 PRO 56 9.746 -8.899 1.938 426 HD2 PRO 56 HD2 PRO 56 8.265 -6.687 0.528 427 HD3 PRO 56 HD1 PRO 56 8.054 -7.316 2.177 428 H LEU 57 HN LEU 57 11.079 -3.722 1.499 429 HA LEU 57 HA LEU 57 10.354 -2.881 -1.102 430 HB2 LEU 57 HB2 LEU 57 10.206 -1.642 1.223 431 HB3 LEU 57 HB1 LEU 57 11.838 -1.118 0.889 432 HG LEU 57 HG LEU 57 10.177 0.631 0.379 433 HD11 LEU 57 HD11 LEU 57 10.879 1.312 -1.826 434 HD12 LEU 57 HD12 LEU 57 11.455 -0.318 -2.189 435 HD13 LEU 57 HD13 LEU 57 12.238 0.636 -0.931 436 HD21 LEU 57 HD21 LEU 57 9.052 -1.237 -1.720 437 HD22 LEU 57 HD22 LEU 57 8.547 0.427 -1.401 438 HD23 LEU 57 HD23 LEU 57 8.287 -0.818 -0.184 439 H GLU 58 HN GLU 58 13.463 -3.283 0.538 440 HA GLU 58 HA GLU 58 15.185 -2.266 -1.468 441 HB2 GLU 58 HB2 GLU 58 16.950 -3.642 -0.327 442 HB3 GLU 58 HB1 GLU 58 16.020 -2.641 0.777 443 HG2 GLU 58 HG2 GLU 58 14.705 -4.587 1.486 444 HG3 GLU 58 HG1 GLU 58 15.564 -5.605 0.336 445 H LYS 59 HN LYS 59 13.988 -5.577 -0.865 446 HA LYS 59 HA LYS 59 15.305 -6.919 -2.946 447 HB2 LYS 59 HB2 LYS 59 14.241 -8.088 -1.070 448 HB3 LYS 59 HB1 LYS 59 12.660 -7.495 -1.552 449 HG2 LYS 59 HG2 LYS 59 12.705 -8.879 -3.569 450 HG3 LYS 59 HG1 LYS 59 14.346 -9.420 -3.197 451 HD2 LYS 59 HD2 LYS 59 11.858 -9.977 -1.516 452 HD3 LYS 59 HD1 LYS 59 12.664 -11.135 -2.579 453 HE2 LYS 59 HE2 LYS 59 14.721 -10.944 -1.160 454 HE3 LYS 59 HE1 LYS 59 13.839 -9.870 -0.076 455 HZ1 LYS 59 HZ1 LYS 59 12.320 -11.650 0.425 456 HZ2 LYS 59 HZ2 LYS 59 13.911 -12.140 0.726 457 HZ3 LYS 59 HZ3 LYS 59 13.112 -12.681 -0.662 458 H TRP 60 HN TRP 60 12.206 -5.265 -2.794 459 HA TRP 60 HA TRP 60 11.193 -5.901 -5.344 460 HB2 TRP 60 HB2 TRP 60 10.628 -3.543 -3.492 461 HB3 TRP 60 HB1 TRP 60 9.720 -3.855 -4.971 462 HD1 TRP 60 HD1 TRP 60 10.019 -7.212 -3.950 463 HE1 TRP 60 HE1 TRP 60 8.108 -7.980 -2.425 464 HE3 TRP 60 HE3 TRP 60 8.240 -2.653 -2.510 465 HZ2 TRP 60 HZ2 TRP 60 6.115 -6.833 -0.825 466 HZ3 TRP 60 HZ3 TRP 60 6.323 -2.568 -0.969 467 HH2 TRP 60 HH2 TRP 60 5.284 -4.623 -0.144 468 H THR 61 HN THR 61 13.060 -3.138 -4.114 469 HA THR 61 HA THR 61 13.253 -1.652 -6.497 470 HB THR 61 HB THR 61 15.193 -1.696 -4.137 471 HG1 THR 61 HG1 THR 61 12.780 -1.065 -3.953 472 HG21 THR 61 HG21 THR 61 14.800 0.436 -6.273 473 HG22 THR 61 HG22 THR 61 16.220 -0.599 -6.103 474 HG23 THR 61 HG23 THR 61 15.841 0.583 -4.850 475 H GLN 62 HN GLN 62 15.140 -4.414 -5.286 476 HA GLN 62 HA GLN 62 17.296 -4.171 -7.170 477 HB2 GLN 62 HB2 GLN 62 17.770 -5.326 -5.092 478 HB3 GLN 62 HB1 GLN 62 16.406 -6.412 -5.306 479 HG2 GLN 62 HG2 GLN 62 18.477 -7.600 -5.705 480 HG3 GLN 62 HG1 GLN 62 17.549 -7.497 -7.193 481 HE21 GLN 62 HE21 GLN 62 20.321 -8.093 -6.939 482 HE22 GLN 62 HE22 GLN 62 21.200 -6.882 -7.801 483 H GLU 63 HN GLU 63 14.356 -6.203 -6.944 484 HA GLU 63 HA GLU 63 14.641 -7.665 -9.321 485 HB2 GLU 63 HB2 GLU 63 12.100 -6.775 -7.890 486 HB3 GLU 63 HB1 GLU 63 12.152 -7.979 -9.182 487 HG2 GLU 63 HG2 GLU 63 13.530 -9.455 -7.796 488 HG3 GLU 63 HG1 GLU 63 13.604 -8.235 -6.528 489 H VAL 64 HN VAL 64 13.302 -4.469 -8.719 490 HA VAL 64 HA VAL 64 12.336 -3.950 -11.336 491 HB VAL 64 HB VAL 64 13.135 -2.071 -9.076 492 HG11 VAL 64 HG11 VAL 64 11.732 -1.373 -11.681 493 HG12 VAL 64 HG12 VAL 64 13.351 -0.854 -11.203 494 HG13 VAL 64 HG13 VAL 64 11.942 -0.277 -10.311 495 HG21 VAL 64 HG21 VAL 64 10.699 -1.821 -8.731 496 HG22 VAL 64 HG22 VAL 64 11.161 -3.521 -8.622 497 HG23 VAL 64 HG23 VAL 64 10.383 -2.913 -10.081 498 H ASN 65 HN ASN 65 15.406 -3.034 -9.712 499 HA ASN 65 HA ASN 65 16.655 -1.699 -11.830 500 HB2 ASN 65 HB2 ASN 65 17.928 -3.279 -9.548 501 HB3 ASN 65 HB1 ASN 65 18.833 -2.231 -10.637 502 HD21 ASN 65 HD21 ASN 65 18.546 -2.051 -7.753 503 HD22 ASN 65 HD22 ASN 65 17.884 -0.491 -7.427 504 H ASP 66 HN ASP 66 16.746 -5.172 -11.001 505 HA ASP 66 HA ASP 66 18.638 -5.821 -13.100 506 HB2 ASP 66 HB2 ASP 66 18.665 -6.808 -10.746 507 HB3 ASP 66 HB1 ASP 66 17.197 -7.682 -11.157 508 H GLY 67 HN GLY 67 15.515 -5.080 -13.333 509 HA2 GLY 67 HA2 GLY 67 13.848 -5.456 -14.834 510 HA3 GLY 67 HA1 GLY 67 15.051 -6.262 -15.820 511 H LYS 68 HN LYS 68 14.371 -7.522 -12.673 512 HA LYS 68 HA LYS 68 13.268 -10.000 -13.669 513 HB2 LYS 68 HB2 LYS 68 13.519 -8.949 -10.818 514 HB3 LYS 68 HB1 LYS 68 13.094 -10.602 -11.250 515 HG2 LYS 68 HG2 LYS 68 15.747 -9.361 -12.043 516 HG3 LYS 68 HG1 LYS 68 15.499 -10.119 -10.478 517 HD2 LYS 68 HD2 LYS 68 16.497 -11.813 -11.767 518 HD3 LYS 68 HD1 LYS 68 14.785 -12.233 -11.780 519 HE2 LYS 68 HE2 LYS 68 15.791 -12.539 -13.996 520 HE3 LYS 68 HE1 LYS 68 14.578 -11.261 -14.047 521 HZ1 LYS 68 HZ1 LYS 68 16.354 -9.622 -13.954 522 HZ2 LYS 68 HZ2 LYS 68 16.586 -10.665 -15.263 523 HZ3 LYS 68 HZ3 LYS 68 17.515 -10.846 -13.864 524 H ALA 69 HN ALA 69 12.102 -6.995 -12.334 525 HA ALA 69 HA ALA 69 9.312 -7.638 -12.924 526 HB1 ALA 69 HB1 ALA 69 9.600 -8.266 -10.551 527 HB2 ALA 69 HB2 ALA 69 8.568 -6.845 -10.705 528 HB3 ALA 69 HB3 ALA 69 10.250 -6.667 -10.196 529 H THR 70 HN THR 70 7.997 -5.669 -12.967 530 HA THR 70 HA THR 70 9.450 -3.371 -14.016 531 HB THR 70 HB THR 70 7.206 -2.478 -14.591 532 HG1 THR 70 HG1 THR 70 5.433 -4.165 -14.140 533 HG21 THR 70 HG21 THR 70 6.482 -4.252 -16.160 534 HG22 THR 70 HG22 THR 70 7.490 -5.429 -15.318 535 HG23 THR 70 HG23 THR 70 8.240 -4.077 -16.172 536 H THR 71 HN THR 71 8.881 -1.143 -13.279 537 HA THR 71 HA THR 71 9.318 -0.693 -10.542 538 HB THR 71 HB THR 71 8.715 1.696 -11.019 539 HG1 THR 71 HG1 THR 71 7.947 2.245 -13.089 540 HG21 THR 71 HG21 THR 71 10.980 0.985 -11.685 541 HG22 THR 71 HG22 THR 71 10.342 2.176 -12.820 542 HG23 THR 71 HG23 THR 71 10.365 0.467 -13.256 543 H GLU 72 HN GLU 72 6.397 -0.232 -12.480 544 HA GLU 72 HA GLU 72 4.595 0.522 -10.556 545 HB2 GLU 72 HB2 GLU 72 2.839 -0.165 -12.198 546 HB3 GLU 72 HB1 GLU 72 4.125 0.808 -12.901 547 HG2 GLU 72 HG2 GLU 72 5.151 -1.238 -13.838 548 HG3 GLU 72 HG1 GLU 72 3.851 -2.198 -13.133 549 H GLN 73 HN GLN 73 5.596 -2.752 -11.394 550 HA GLN 73 HA GLN 73 3.493 -4.262 -10.372 551 HB2 GLN 73 HB2 GLN 73 5.506 -5.112 -11.699 552 HB3 GLN 73 HB1 GLN 73 6.401 -5.141 -10.186 553 HG2 GLN 73 HG2 GLN 73 4.715 -6.756 -9.266 554 HG3 GLN 73 HG1 GLN 73 3.909 -6.761 -10.835 555 HE21 GLN 73 HE21 GLN 73 6.595 -7.945 -9.003 556 HE22 GLN 73 HE22 GLN 73 7.227 -9.006 -10.212 557 H TYR 74 HN TYR 74 6.019 -2.633 -8.582 558 HA TYR 74 HA TYR 74 4.908 -3.681 -6.031 559 HB2 TYR 74 HB2 TYR 74 7.734 -2.680 -6.608 560 HB3 TYR 74 HB1 TYR 74 7.145 -3.231 -5.043 561 HD1 TYR 74 HD2 TYR 74 5.837 -5.673 -5.330 562 HD2 TYR 74 HD1 TYR 74 9.133 -4.273 -7.662 563 HE1 TYR 74 HE2 TYR 74 6.434 -7.989 -5.873 564 HE2 TYR 74 HE1 TYR 74 9.732 -6.595 -8.194 565 HH TYR 74 HH TYR 74 9.381 -8.867 -7.219 566 H PHE 75 HN PHE 75 5.632 -0.778 -7.899 567 HA PHE 75 HA PHE 75 5.413 0.937 -5.502 568 HB2 PHE 75 HB2 PHE 75 6.692 1.466 -8.221 569 HB3 PHE 75 HB1 PHE 75 6.564 2.662 -6.936 570 HD1 PHE 75 HD1 PHE 75 7.609 1.948 -4.618 571 HD2 PHE 75 HD2 PHE 75 8.703 0.188 -8.352 572 HE1 PHE 75 HE1 PHE 75 9.740 1.208 -3.652 573 HE2 PHE 75 HE2 PHE 75 10.832 -0.557 -7.373 574 HZ PHE 75 HZ PHE 75 11.356 -0.047 -5.021 575 H VAL 76 HN VAL 76 3.241 -0.238 -7.488 576 HA VAL 76 HA VAL 76 1.687 2.296 -7.689 577 HB VAL 76 HB VAL 76 1.324 -0.351 -9.158 578 HG11 VAL 76 HG11 VAL 76 -0.917 0.248 -8.345 579 HG12 VAL 76 HG12 VAL 76 -0.815 0.469 -10.091 580 HG13 VAL 76 HG13 VAL 76 -0.746 1.874 -9.021 581 HG21 VAL 76 HG21 VAL 76 1.470 2.499 -10.193 582 HG22 VAL 76 HG22 VAL 76 1.341 1.035 -11.176 583 HG23 VAL 76 HG23 VAL 76 2.796 1.333 -10.215 584 H LEU 77 HN LEU 77 -0.295 2.398 -6.663 585 HA LEU 77 HA LEU 77 -0.269 1.458 -4.057 586 HB2 LEU 77 HB2 LEU 77 -2.199 3.024 -5.730 587 HB3 LEU 77 HB1 LEU 77 -2.818 2.372 -4.227 588 HG LEU 77 HG LEU 77 -2.064 4.671 -3.957 589 HD11 LEU 77 HD11 LEU 77 -0.335 2.736 -2.406 590 HD12 LEU 77 HD12 LEU 77 -2.004 3.182 -2.041 591 HD13 LEU 77 HD13 LEU 77 -0.734 4.396 -1.947 592 HD21 LEU 77 HD21 LEU 77 0.725 3.715 -4.670 593 HD22 LEU 77 HD22 LEU 77 0.292 5.323 -4.078 594 HD23 LEU 77 HD23 LEU 77 -0.303 4.775 -5.642 595 H LYS 78 HN LYS 78 -2.278 0.226 -6.767 596 HA LYS 78 HA LYS 78 -3.908 -1.514 -5.189 597 HB2 LYS 78 HB2 LYS 78 -4.507 -2.616 -7.354 598 HB3 LYS 78 HB1 LYS 78 -4.605 -0.860 -7.465 599 HG2 LYS 78 HG2 LYS 78 -2.415 -0.800 -8.596 600 HG3 LYS 78 HG1 LYS 78 -2.295 -2.554 -8.477 601 HD2 LYS 78 HD2 LYS 78 -4.279 -2.769 -9.956 602 HD3 LYS 78 HD1 LYS 78 -4.370 -1.008 -10.086 603 HE2 LYS 78 HE2 LYS 78 -2.152 -0.954 -11.173 604 HE3 LYS 78 HE1 LYS 78 -1.999 -2.704 -10.974 605 HZ1 LYS 78 HZ1 LYS 78 -4.058 -1.332 -12.607 606 HZ2 LYS 78 HZ2 LYS 78 -3.904 -3.004 -12.410 607 HZ3 LYS 78 HZ3 LYS 78 -2.690 -2.132 -13.198 608 H ASN 79 HN ASN 79 -0.835 -1.927 -6.843 609 HA ASN 79 HA ASN 79 -0.576 -4.766 -6.524 610 HB2 ASN 79 HB2 ASN 79 1.449 -2.621 -7.302 611 HB3 ASN 79 HB1 ASN 79 1.736 -4.356 -7.430 612 HD21 ASN 79 HD21 ASN 79 1.614 -2.193 -9.485 613 HD22 ASN 79 HD22 ASN 79 0.497 -2.766 -10.666 614 H LEU 80 HN LEU 80 0.856 -1.941 -5.048 615 HA LEU 80 HA LEU 80 2.585 -3.028 -3.173 616 HB2 LEU 80 HB2 LEU 80 2.544 -0.633 -3.782 617 HB3 LEU 80 HB1 LEU 80 0.948 -0.462 -3.076 618 HG LEU 80 HG LEU 80 1.937 -0.948 -0.811 619 HD11 LEU 80 HD11 LEU 80 4.366 -0.822 -0.479 620 HD12 LEU 80 HD12 LEU 80 4.616 -0.790 -2.227 621 HD13 LEU 80 HD13 LEU 80 3.914 -2.216 -1.458 622 HD21 LEU 80 HD21 LEU 80 3.111 1.454 -2.254 623 HD22 LEU 80 HD22 LEU 80 2.962 1.268 -0.505 624 HD23 LEU 80 HD23 LEU 80 1.513 1.358 -1.503 625 H ALA 81 HN ALA 81 -0.829 -2.043 -2.840 626 HA ALA 81 HA ALA 81 -1.206 -2.742 -0.124 627 HB1 ALA 81 HB1 ALA 81 -3.267 -2.564 -2.345 628 HB2 ALA 81 HB2 ALA 81 -2.704 -1.219 -1.352 629 HB3 ALA 81 HB3 ALA 81 -3.612 -2.541 -0.610 630 H ALA 82 HN ALA 82 -1.512 -4.593 -3.104 631 HA ALA 82 HA ALA 82 -2.711 -6.934 -2.049 632 HB1 ALA 82 HB1 ALA 82 -1.916 -8.013 -4.121 633 HB2 ALA 82 HB2 ALA 82 -0.889 -6.619 -4.456 634 HB3 ALA 82 HB3 ALA 82 -2.644 -6.440 -4.462 635 H ARG 83 HN ARG 83 0.692 -6.110 -2.713 636 HA ARG 83 HA ARG 83 2.037 -8.366 -1.790 637 HB2 ARG 83 HB2 ARG 83 2.879 -5.440 -1.685 638 HB3 ARG 83 HB1 ARG 83 3.981 -6.784 -1.409 639 HG2 ARG 83 HG2 ARG 83 2.442 -6.647 -4.002 640 HG3 ARG 83 HG1 ARG 83 3.839 -5.598 -3.762 641 HD2 ARG 83 HD2 ARG 83 4.535 -7.612 -4.922 642 HD3 ARG 83 HD1 ARG 83 5.249 -7.581 -3.310 643 HE ARG 83 HE ARG 83 2.801 -9.109 -3.455 644 HH11 ARG 83 HH11 ARG 83 6.292 -9.251 -3.886 645 HH12 ARG 83 HH12 ARG 83 6.349 -10.973 -3.761 646 HH21 ARG 83 HH21 ARG 83 2.927 -11.373 -3.286 647 HH22 ARG 83 HH22 ARG 83 4.465 -12.166 -3.419 648 H ILE 84 HN ILE 84 1.085 -5.471 -0.028 649 HA ILE 84 HA ILE 84 2.241 -5.965 2.496 650 HB ILE 84 HB ILE 84 -0.199 -4.314 1.682 651 HG12 ILE 84 HG12 ILE 84 2.603 -3.335 2.363 652 HG13 ILE 84 HG11 ILE 84 2.087 -3.689 0.721 653 HG21 ILE 84 HG21 ILE 84 -0.047 -3.115 3.824 654 HG22 ILE 84 HG22 ILE 84 1.250 -4.185 4.352 655 HG23 ILE 84 HG23 ILE 84 -0.368 -4.830 4.084 656 HD11 ILE 84 HD11 ILE 84 0.872 -1.614 2.534 657 HD12 ILE 84 HD12 ILE 84 0.410 -1.942 0.860 658 HD13 ILE 84 HD13 ILE 84 2.017 -1.314 1.227 659 H ASP 85 HN ASP 85 -1.039 -6.566 1.255 660 HA ASP 85 HA ASP 85 -2.107 -7.698 3.624 661 HB2 ASP 85 HB2 ASP 85 -3.521 -6.727 1.849 662 HB3 ASP 85 HB1 ASP 85 -3.025 -7.999 0.734 663 H GLU 86 HN GLU 86 -0.397 -9.149 0.875 664 HA GLU 86 HA GLU 86 -0.781 -11.896 1.508 665 HB2 GLU 86 HB2 GLU 86 1.500 -10.480 0.064 666 HB3 GLU 86 HB1 GLU 86 1.363 -12.235 0.174 667 HG2 GLU 86 HG2 GLU 86 -0.741 -12.171 -1.072 668 HG3 GLU 86 HG1 GLU 86 -0.677 -10.411 -1.130 669 H LEU 87 HN LEU 87 1.683 -9.537 2.478 670 HA LEU 87 HA LEU 87 3.201 -11.280 4.142 671 HB2 LEU 87 HB2 LEU 87 3.002 -8.247 4.180 672 HB3 LEU 87 HB1 LEU 87 4.257 -9.191 4.975 673 HG LEU 87 HG LEU 87 3.814 -9.165 1.957 674 HD11 LEU 87 HD11 LEU 87 4.451 -6.937 2.686 675 HD12 LEU 87 HD12 LEU 87 5.748 -7.696 1.767 676 HD13 LEU 87 HD13 LEU 87 5.862 -7.586 3.527 677 HD21 LEU 87 HD21 LEU 87 4.928 -11.200 2.767 678 HD22 LEU 87 HD22 LEU 87 6.159 -10.225 3.573 679 HD23 LEU 87 HD23 LEU 87 6.026 -10.206 1.811 680 H VAL 88 HN VAL 88 0.341 -9.295 4.707 681 HA VAL 88 HA VAL 88 0.197 -9.626 7.550 682 HB VAL 88 HB VAL 88 -1.934 -8.910 5.485 683 HG11 VAL 88 HG11 VAL 88 -2.224 -8.900 8.517 684 HG12 VAL 88 HG12 VAL 88 -3.098 -9.933 7.382 685 HG13 VAL 88 HG13 VAL 88 -3.381 -8.192 7.387 686 HG21 VAL 88 HG21 VAL 88 -1.705 -6.608 6.393 687 HG22 VAL 88 HG22 VAL 88 -0.164 -7.205 5.776 688 HG23 VAL 88 HG23 VAL 88 -0.460 -7.171 7.514 689 H ALA 89 HN ALA 89 -1.017 -11.464 4.784 690 HA ALA 89 HA ALA 89 -2.429 -13.472 6.220 691 HB1 ALA 89 HB1 ALA 89 -2.257 -14.799 4.142 692 HB2 ALA 89 HB2 ALA 89 -1.074 -13.652 3.505 693 HB3 ALA 89 HB3 ALA 89 -2.735 -13.134 3.801 694 H ALA 90 HN ALA 90 0.935 -13.093 5.219 695 HA ALA 90 HA ALA 90 1.945 -15.576 6.103 696 HB1 ALA 90 HB1 ALA 90 3.428 -12.946 5.757 697 HB2 ALA 90 HB2 ALA 90 3.148 -14.142 4.491 698 HB3 ALA 90 HB3 ALA 90 4.167 -14.545 5.875 699 H LYS 91 HN LYS 91 1.545 -12.421 7.800 700 HA LYS 91 HA LYS 91 3.139 -13.198 10.074 701 HB2 LYS 91 HB2 LYS 91 2.617 -11.082 11.031 702 HB3 LYS 91 HB1 LYS 91 2.752 -10.792 9.301 703 HG2 LYS 91 HG2 LYS 91 0.328 -10.736 9.091 704 HG3 LYS 91 HG1 LYS 91 0.135 -11.119 10.797 705 HD2 LYS 91 HD2 LYS 91 1.441 -8.602 9.697 706 HD3 LYS 91 HD1 LYS 91 -0.212 -8.705 10.299 707 HE2 LYS 91 HE2 LYS 91 2.322 -9.147 11.919 708 HE3 LYS 91 HE1 LYS 91 1.277 -7.727 11.984 709 HZ1 LYS 91 HZ1 LYS 91 -0.518 -9.173 12.783 710 HZ2 LYS 91 HZ2 LYS 91 0.814 -9.174 13.822 711 HZ3 LYS 91 HZ3 LYS 91 0.542 -10.490 12.797 712 H GLY 92 HN GLY 92 -0.143 -13.674 9.130 713 HA2 GLY 92 HA2 GLY 92 -1.497 -14.027 11.540 714 HA3 GLY 92 HA1 GLY 92 -1.861 -14.871 10.043 715 H ALA 93 HN ALA 93 1.026 -16.046 10.285 716 HA ALA 93 HA ALA 93 0.741 -17.895 12.540 717 HB1 ALA 93 HB1 ALA 93 0.857 -19.912 11.134 718 HB2 ALA 93 HB2 ALA 93 0.827 -18.924 9.671 719 HB3 ALA 93 HB3 ALA 93 -0.577 -18.968 10.738 720 H LEU 94 HN LEU 94 2.631 -16.868 9.722 721 HA LEU 94 HA LEU 94 5.045 -18.234 10.641 722 HB2 LEU 94 HB2 LEU 94 4.438 -16.735 8.074 723 HB3 LEU 94 HB1 LEU 94 5.970 -17.532 8.409 724 HG LEU 94 HG LEU 94 3.273 -18.924 8.173 725 HD11 LEU 94 HD11 LEU 94 5.601 -18.865 6.229 726 HD12 LEU 94 HD12 LEU 94 4.017 -18.117 6.014 727 HD13 LEU 94 HD13 LEU 94 4.153 -19.870 6.075 728 HD21 LEU 94 HD21 LEU 94 4.710 -20.097 9.756 729 HD22 LEU 94 HD22 LEU 94 6.045 -20.108 8.599 730 HD23 LEU 94 HD23 LEU 94 4.574 -21.028 8.268 731 H GLU 95 HN GLU 95 4.541 -14.950 9.264 732 HA GLU 95 HA GLU 95 7.048 -13.994 10.126 733 HB2 GLU 95 HB2 GLU 95 4.616 -12.557 9.038 734 HB3 GLU 95 HB1 GLU 95 6.040 -11.663 9.547 735 HG2 GLU 95 HG2 GLU 95 5.947 -13.775 7.378 736 HG3 GLU 95 HG1 GLU 95 6.018 -12.027 7.136 737 H HIS 96 HN HIS 96 7.423 -14.124 12.238 738 HA HIS 96 HA HIS 96 6.215 -12.009 13.933 739 HB2 HIS 96 HB2 HIS 96 7.260 -14.750 14.818 740 HB3 HIS 96 HB1 HIS 96 6.772 -13.463 15.919 741 HD1 HIS 96 HD1 HIS 96 5.398 -16.071 13.632 742 HD2 HIS 96 HD2 HIS 96 3.985 -13.061 16.112 743 HE1 HIS 96 HE1 HIS 96 2.921 -16.423 13.772 744 HE2 HIS 96 HE2 HIS 96 2.122 -14.709 15.435 745 H HIS 97 HN HIS 97 8.229 -11.803 11.998 746 HA HIS 97 HA HIS 97 10.792 -11.530 13.449 747 HB2 HIS 97 HB2 HIS 97 10.863 -12.970 11.427 748 HB3 HIS 97 HB1 HIS 97 10.178 -11.686 10.443 749 HD1 HIS 97 HD1 HIS 97 12.517 -12.541 9.168 750 HD2 HIS 97 HD2 HIS 97 12.919 -10.040 12.462 751 HE1 HIS 97 HE1 HIS 97 14.778 -11.473 8.922 752 HE2 HIS 97 HE2 HIS 97 15.005 -9.974 10.939 753 H HIS 98 HN HIS 98 10.982 -9.501 14.260 754 HA HIS 98 HA HIS 98 9.714 -7.199 13.061 755 HB2 HIS 98 HB2 HIS 98 10.736 -5.912 14.959 756 HB3 HIS 98 HB1 HIS 98 9.725 -7.254 15.466 757 HD1 HIS 98 HD1 HIS 98 10.735 -8.881 17.087 758 HD2 HIS 98 HD2 HIS 98 13.601 -6.461 15.309 759 HE1 HIS 98 HE1 HIS 98 12.867 -9.341 18.330 760 HE2 HIS 98 HE2 HIS 98 14.613 -7.945 17.162 761 H HIS 99 HN HIS 99 10.551 -6.341 11.306 762 HA HIS 99 HA HIS 99 13.410 -5.773 10.984 763 HB2 HIS 99 HB2 HIS 99 12.364 -6.416 8.918 764 HB3 HIS 99 HB1 HIS 99 10.945 -5.428 9.229 765 HD1 HIS 99 HD1 HIS 99 14.623 -5.004 8.311 766 HD2 HIS 99 HD2 HIS 99 11.012 -2.981 8.029 767 HE1 HIS 99 HE1 HIS 99 15.091 -2.983 6.889 768 HE2 HIS 99 HE2 HIS 99 12.829 -1.923 6.548 769 H HIS 100 HN HIS 100 10.300 -4.221 11.549 770 HA HIS 100 HA HIS 100 11.296 -1.536 11.758 771 HB2 HIS 100 HB2 HIS 100 8.977 -1.044 12.671 772 HB3 HIS 100 HB1 HIS 100 9.015 -1.780 11.075 773 HD1 HIS 100 HD1 HIS 100 7.315 -3.524 10.792 774 HD2 HIS 100 HD2 HIS 100 8.583 -3.331 14.741 775 HE1 HIS 100 HE1 HIS 100 5.939 -5.208 12.026 776 HE2 HIS 100 HE2 HIS 100 6.859 -5.219 14.356 777 H HIS 101 HN HIS 101 11.151 -0.216 13.643 778 HA HIS 101 HA HIS 101 10.879 -1.458 16.272 779 HB2 HIS 101 HB2 HIS 101 13.320 -1.481 15.951 780 HB3 HIS 101 HB1 HIS 101 13.300 0.199 15.435 781 HD1 HIS 101 HD1 HIS 101 12.697 1.985 17.343 782 HD2 HIS 101 HD2 HIS 101 13.615 -1.842 18.675 783 HE1 HIS 101 HE1 HIS 101 13.137 2.221 19.801 784 HE2 HIS 101 HE2 HIS 101 13.596 -0.117 20.601 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -14.475 -0.488 1.777 2 H2 MET 1 HT2 MET 1 -14.573 1.122 1.284 3 H3 MET 1 HT3 MET 1 -15.978 0.191 1.400 4 HA MET 1 HA MET 1 -15.777 1.729 3.234 5 HB2 MET 1 HB2 MET 1 -16.928 -0.459 3.535 6 HB3 MET 1 HB1 MET 1 -15.413 -1.189 4.040 7 HG2 MET 1 HG2 MET 1 -15.398 0.452 5.981 8 HG3 MET 1 HG1 MET 1 -17.040 0.891 5.513 9 HE1 MET 1 HE1 MET 1 -14.696 -1.892 6.971 10 HE2 MET 1 HE2 MET 1 -15.248 -2.663 5.483 11 HE3 MET 1 HE3 MET 1 -15.774 -3.287 7.046 12 H THR 2 HN THR 2 -13.448 -0.891 3.981 13 HA THR 2 HA THR 2 -11.224 0.970 4.237 14 HB THR 2 HB THR 2 -12.131 -0.711 6.628 15 HG1 THR 2 HG1 THR 2 -12.262 2.032 5.993 16 HG21 THR 2 HG21 THR 2 -10.211 0.305 7.837 17 HG22 THR 2 HG22 THR 2 -9.681 1.076 6.340 18 HG23 THR 2 HG23 THR 2 -9.663 -0.683 6.480 19 H SER 3 HN SER 3 -10.295 -0.129 2.547 20 HA SER 3 HA SER 3 -9.590 -2.956 2.772 21 HB2 SER 3 HB2 SER 3 -8.503 -2.535 0.544 22 HB3 SER 3 HB1 SER 3 -10.210 -2.104 0.562 23 HG SER 3 HG SER 3 -8.906 -0.513 -0.444 24 H THR 4 HN THR 4 -7.208 -3.450 2.239 25 HA THR 4 HA THR 4 -5.335 -2.335 4.008 26 HB THR 4 HB THR 4 -4.905 -3.884 1.409 27 HG1 THR 4 HG1 THR 4 -4.999 -5.632 2.707 28 HG21 THR 4 HG21 THR 4 -2.641 -4.413 2.269 29 HG22 THR 4 HG22 THR 4 -2.899 -3.337 3.642 30 HG23 THR 4 HG23 THR 4 -2.822 -2.676 2.009 31 H PHE 5 HN PHE 5 -5.921 -1.733 0.534 32 HA PHE 5 HA PHE 5 -4.088 0.296 0.022 33 HB2 PHE 5 HB2 PHE 5 -5.182 -0.548 -1.895 34 HB3 PHE 5 HB1 PHE 5 -6.779 -0.405 -1.175 35 HD1 PHE 5 HD1 PHE 5 -3.929 1.729 -2.398 36 HD2 PHE 5 HD2 PHE 5 -8.156 1.419 -1.783 37 HE1 PHE 5 HE1 PHE 5 -4.257 3.925 -3.444 38 HE2 PHE 5 HE2 PHE 5 -8.464 3.612 -2.844 39 HZ PHE 5 HZ PHE 5 -6.514 4.865 -3.666 40 H ASP 6 HN ASP 6 -7.339 0.550 1.454 41 HA ASP 6 HA ASP 6 -7.652 3.332 1.508 42 HB2 ASP 6 HB2 ASP 6 -9.497 1.816 2.036 43 HB3 ASP 6 HB1 ASP 6 -8.653 1.208 3.452 44 H ARG 7 HN ARG 7 -6.243 1.155 3.909 45 HA ARG 7 HA ARG 7 -5.382 3.138 5.755 46 HB2 ARG 7 HB2 ARG 7 -4.518 0.266 5.297 47 HB3 ARG 7 HB1 ARG 7 -3.875 1.251 6.609 48 HG2 ARG 7 HG2 ARG 7 -6.826 0.612 6.241 49 HG3 ARG 7 HG1 ARG 7 -5.727 -0.300 7.282 50 HD2 ARG 7 HD2 ARG 7 -5.305 1.732 8.623 51 HD3 ARG 7 HD1 ARG 7 -6.390 2.653 7.570 52 HE ARG 7 HE ARG 7 -7.439 0.303 9.015 53 HH11 ARG 7 HH11 ARG 7 -7.430 3.794 8.614 54 HH12 ARG 7 HH12 ARG 7 -8.834 4.031 9.606 55 HH21 ARG 7 HH21 ARG 7 -9.268 0.636 10.326 56 HH22 ARG 7 HH22 ARG 7 -9.889 2.240 10.552 57 H VAL 8 HN VAL 8 -3.779 1.676 2.894 58 HA VAL 8 HA VAL 8 -1.133 2.598 3.441 59 HB VAL 8 HB VAL 8 -2.426 1.751 0.799 60 HG11 VAL 8 HG11 VAL 8 0.533 2.175 1.394 61 HG12 VAL 8 HG12 VAL 8 -0.462 3.175 0.332 62 HG13 VAL 8 HG13 VAL 8 -0.126 1.496 -0.098 63 HG21 VAL 8 HG21 VAL 8 -0.606 0.205 2.679 64 HG22 VAL 8 HG22 VAL 8 -1.237 -0.385 1.138 65 HG23 VAL 8 HG23 VAL 8 -2.338 -0.052 2.472 66 H ALA 9 HN ALA 9 -3.811 3.828 1.482 67 HA ALA 9 HA ALA 9 -2.638 6.043 0.254 68 HB1 ALA 9 HB1 ALA 9 -4.853 5.173 -0.426 69 HB2 ALA 9 HB2 ALA 9 -4.967 6.896 -0.039 70 HB3 ALA 9 HB3 ALA 9 -5.550 5.691 1.113 71 H THR 10 HN THR 10 -4.376 5.721 3.328 72 HA THR 10 HA THR 10 -4.233 8.361 4.234 73 HB THR 10 HB THR 10 -4.297 5.796 5.881 74 HG1 THR 10 HG1 THR 10 -6.226 5.667 5.058 75 HG21 THR 10 HG21 THR 10 -3.734 7.741 7.316 76 HG22 THR 10 HG22 THR 10 -5.372 7.177 7.646 77 HG23 THR 10 HG23 THR 10 -5.121 8.626 6.670 78 H ILE 11 HN ILE 11 -1.983 5.621 4.860 79 HA ILE 11 HA ILE 11 -0.128 6.913 6.506 80 HB ILE 11 HB ILE 11 0.245 4.618 4.535 81 HG12 ILE 11 HG12 ILE 11 -0.033 4.580 7.576 82 HG13 ILE 11 HG11 ILE 11 -1.343 4.249 6.450 83 HG21 ILE 11 HG21 ILE 11 2.228 5.542 6.651 84 HG22 ILE 11 HG22 ILE 11 2.462 5.593 4.903 85 HG23 ILE 11 HG23 ILE 11 2.352 4.041 5.730 86 HD11 ILE 11 HD11 ILE 11 1.167 2.615 6.793 87 HD12 ILE 11 HD12 ILE 11 -0.119 2.283 5.632 88 HD13 ILE 11 HD13 ILE 11 -0.451 2.204 7.361 89 H ILE 12 HN ILE 12 -0.085 6.573 2.951 90 HA ILE 12 HA ILE 12 2.296 7.903 2.371 91 HB ILE 12 HB ILE 12 -0.262 7.632 0.724 92 HG12 ILE 12 HG12 ILE 12 2.330 6.026 0.735 93 HG13 ILE 12 HG11 ILE 12 0.743 5.465 1.241 94 HG21 ILE 12 HG21 ILE 12 1.065 8.161 -1.290 95 HG22 ILE 12 HG22 ILE 12 2.472 8.504 -0.281 96 HG23 ILE 12 HG23 ILE 12 1.034 9.521 -0.168 97 HD11 ILE 12 HD11 ILE 12 1.621 6.126 -1.569 98 HD12 ILE 12 HD12 ILE 12 -0.020 5.661 -1.109 99 HD13 ILE 12 HD13 ILE 12 1.316 4.529 -0.891 100 H ALA 13 HN ALA 13 -1.028 9.144 2.552 101 HA ALA 13 HA ALA 13 -0.638 11.846 2.119 102 HB1 ALA 13 HB1 ALA 13 -2.773 12.155 3.335 103 HB2 ALA 13 HB2 ALA 13 -2.663 10.499 3.936 104 HB3 ALA 13 HB3 ALA 13 -2.841 10.799 2.204 105 H GLU 14 HN GLU 14 -0.456 10.078 5.251 106 HA GLU 14 HA GLU 14 0.076 12.264 6.927 107 HB2 GLU 14 HB2 GLU 14 1.021 9.387 7.266 108 HB3 GLU 14 HB1 GLU 14 0.948 10.604 8.544 109 HG2 GLU 14 HG2 GLU 14 -1.391 9.340 7.085 110 HG3 GLU 14 HG1 GLU 14 -0.883 9.014 8.735 111 H THR 15 HN THR 15 2.216 10.305 4.911 112 HA THR 15 HA THR 15 4.645 11.168 6.192 113 HB THR 15 HB THR 15 4.296 9.638 3.575 114 HG1 THR 15 HG1 THR 15 3.407 8.675 5.563 115 HG21 THR 15 HG21 THR 15 6.572 10.603 3.796 116 HG22 THR 15 HG22 THR 15 6.611 8.847 3.981 117 HG23 THR 15 HG23 THR 15 6.721 9.885 5.403 118 H CYS 16 HN CYS 16 3.255 11.749 2.867 119 HA CYS 16 HA CYS 16 5.445 13.634 2.332 120 HB2 CYS 16 HB2 CYS 16 3.612 12.035 0.500 121 HB3 CYS 16 HB1 CYS 16 4.831 13.168 -0.072 122 HG CYS 16 HG CYS 16 6.999 11.739 0.693 123 H ASP 17 HN ASP 17 2.705 14.200 3.729 124 HA ASP 17 HA ASP 17 1.030 15.733 3.765 125 HB2 ASP 17 HB2 ASP 17 3.014 17.118 4.289 126 HB3 ASP 17 HB1 ASP 17 3.259 17.438 2.574 127 H ILE 18 HN ILE 18 -0.034 14.370 2.062 128 HA ILE 18 HA ILE 18 -0.842 15.988 -0.258 129 HB ILE 18 HB ILE 18 -0.742 13.778 -1.685 130 HG12 ILE 18 HG12 ILE 18 1.310 13.093 0.473 131 HG13 ILE 18 HG11 ILE 18 -0.158 12.195 0.112 132 HG21 ILE 18 HG21 ILE 18 0.630 15.765 -2.192 133 HG22 ILE 18 HG22 ILE 18 1.518 14.277 -2.506 134 HG23 ILE 18 HG23 ILE 18 1.864 15.217 -1.052 135 HD11 ILE 18 HD11 ILE 18 0.767 11.582 -2.070 136 HD12 ILE 18 HD12 ILE 18 1.816 11.080 -0.747 137 HD13 ILE 18 HD13 ILE 18 2.232 12.499 -1.705 138 HA PRO 19 HA PRO 19 -4.847 14.425 1.037 139 HB2 PRO 19 HB2 PRO 19 -6.372 14.900 -1.179 140 HB3 PRO 19 HB1 PRO 19 -5.733 16.209 -0.176 141 HG2 PRO 19 HG2 PRO 19 -4.657 15.123 -2.778 142 HG3 PRO 19 HG1 PRO 19 -4.876 16.817 -2.280 143 HD2 PRO 19 HD2 PRO 19 -2.460 15.543 -2.146 144 HD3 PRO 19 HD1 PRO 19 -2.924 16.828 -1.011 145 H ARG 20 HN ARG 20 -5.203 12.266 1.349 146 HA ARG 20 HA ARG 20 -4.351 10.239 -0.413 147 HB2 ARG 20 HB2 ARG 20 -5.294 8.622 1.136 148 HB3 ARG 20 HB1 ARG 20 -4.384 9.850 1.976 149 HG2 ARG 20 HG2 ARG 20 -6.234 9.438 3.360 150 HG3 ARG 20 HG1 ARG 20 -6.636 10.947 2.540 151 HD2 ARG 20 HD2 ARG 20 -8.526 9.313 2.704 152 HD3 ARG 20 HD1 ARG 20 -8.166 9.829 1.072 153 HE ARG 20 HE ARG 20 -7.049 7.707 0.710 154 HH11 ARG 20 HH11 ARG 20 -9.171 7.784 3.511 155 HH12 ARG 20 HH12 ARG 20 -9.528 6.087 3.410 156 HH21 ARG 20 HH21 ARG 20 -7.559 5.528 0.580 157 HH22 ARG 20 HH22 ARG 20 -8.636 4.824 1.745 158 H GLU 21 HN GLU 21 -7.191 12.067 -0.512 159 HA GLU 21 HA GLU 21 -9.075 10.152 -1.476 160 HB2 GLU 21 HB2 GLU 21 -10.426 12.160 -2.069 161 HB3 GLU 21 HB1 GLU 21 -9.795 12.248 -0.427 162 HG2 GLU 21 HG2 GLU 21 -7.991 13.762 -1.213 163 HG3 GLU 21 HG1 GLU 21 -8.662 13.716 -2.839 164 H THR 22 HN THR 22 -6.589 12.128 -2.939 165 HA THR 22 HA THR 22 -7.513 11.738 -5.678 166 HB THR 22 HB THR 22 -5.511 13.075 -6.322 167 HG1 THR 22 HG1 THR 22 -4.969 13.525 -3.591 168 HG21 THR 22 HG21 THR 22 -6.167 15.216 -5.278 169 HG22 THR 22 HG22 THR 22 -7.068 14.351 -4.032 170 HG23 THR 22 HG23 THR 22 -7.600 14.278 -5.712 171 H ILE 23 HN ILE 23 -5.619 9.984 -3.411 172 HA ILE 23 HA ILE 23 -3.785 8.748 -5.290 173 HB ILE 23 HB ILE 23 -4.388 8.357 -2.314 174 HG12 ILE 23 HG12 ILE 23 -1.900 8.774 -2.068 175 HG13 ILE 23 HG11 ILE 23 -1.808 9.048 -3.798 176 HG21 ILE 23 HG21 ILE 23 -2.637 6.505 -3.969 177 HG22 ILE 23 HG22 ILE 23 -4.149 6.081 -3.161 178 HG23 ILE 23 HG23 ILE 23 -2.731 6.510 -2.204 179 HD11 ILE 23 HD11 ILE 23 -3.277 10.720 -1.782 180 HD12 ILE 23 HD12 ILE 23 -3.286 10.997 -3.529 181 HD13 ILE 23 HD13 ILE 23 -1.778 11.116 -2.620 182 H THR 24 HN THR 24 -4.724 7.447 -6.772 183 HA THR 24 HA THR 24 -7.134 5.876 -6.190 184 HB THR 24 HB THR 24 -7.147 5.366 -8.624 185 HG1 THR 24 HG1 THR 24 -5.461 6.682 -9.850 186 HG21 THR 24 HG21 THR 24 -8.237 7.470 -7.920 187 HG22 THR 24 HG22 THR 24 -7.507 7.652 -9.517 188 HG23 THR 24 HG23 THR 24 -6.706 8.335 -8.099 189 HA PRO 25 HA PRO 25 -4.845 1.984 -5.729 190 HB2 PRO 25 HB2 PRO 25 -6.537 0.165 -6.959 191 HB3 PRO 25 HB1 PRO 25 -6.812 0.822 -5.335 192 HG2 PRO 25 HG2 PRO 25 -7.995 1.696 -7.973 193 HG3 PRO 25 HG1 PRO 25 -8.805 1.453 -6.409 194 HD2 PRO 25 HD2 PRO 25 -8.135 3.918 -7.284 195 HD3 PRO 25 HD1 PRO 25 -8.048 3.503 -5.557 196 H GLU 26 HN GLU 26 -5.644 3.293 -8.867 197 HA GLU 26 HA GLU 26 -3.853 1.412 -10.281 198 HB2 GLU 26 HB2 GLU 26 -4.861 2.365 -12.344 199 HB3 GLU 26 HB1 GLU 26 -6.067 1.656 -11.277 200 HG2 GLU 26 HG2 GLU 26 -6.652 3.945 -10.463 201 HG3 GLU 26 HG1 GLU 26 -5.506 4.621 -11.623 202 H SER 27 HN SER 27 -3.501 4.087 -8.525 203 HA SER 27 HA SER 27 -1.989 5.820 -10.268 204 HB2 SER 27 HB2 SER 27 -3.197 6.777 -8.357 205 HB3 SER 27 HB1 SER 27 -2.276 5.784 -7.229 206 HG SER 27 HG SER 27 -1.369 7.920 -8.843 207 H HIS 28 HN HIS 28 0.175 5.843 -10.565 208 HA HIS 28 HA HIS 28 1.908 3.869 -9.309 209 HB2 HIS 28 HB2 HIS 28 2.032 4.666 -11.779 210 HB3 HIS 28 HB1 HIS 28 2.794 6.123 -11.153 211 HD2 HIS 28 HD2 HIS 28 3.694 2.686 -12.281 212 HE1 HIS 28 HE1 HIS 28 6.923 3.975 -9.898 213 HE2 HIS 28 HE2 HIS 28 6.211 2.420 -11.753 214 H ALA 29 HN ALA 29 2.607 4.348 -7.253 215 HA ALA 29 HA ALA 29 2.511 6.703 -5.881 216 HB1 ALA 29 HB1 ALA 29 4.540 4.479 -5.513 217 HB2 ALA 29 HB2 ALA 29 2.895 4.493 -4.875 218 HB3 ALA 29 HB3 ALA 29 4.074 5.671 -4.293 219 H ILE 30 HN ILE 30 5.075 5.726 -8.128 220 HA ILE 30 HA ILE 30 6.882 7.853 -7.150 221 HB ILE 30 HB ILE 30 7.357 5.626 -9.188 222 HG12 ILE 30 HG12 ILE 30 8.453 6.034 -6.362 223 HG13 ILE 30 HG11 ILE 30 7.279 4.812 -6.857 224 HG21 ILE 30 HG21 ILE 30 8.659 7.591 -9.864 225 HG22 ILE 30 HG22 ILE 30 9.732 6.341 -9.240 226 HG23 ILE 30 HG23 ILE 30 9.332 7.737 -8.238 227 HD11 ILE 30 HD11 ILE 30 10.174 4.972 -7.720 228 HD12 ILE 30 HD12 ILE 30 9.009 3.761 -8.264 229 HD13 ILE 30 HD13 ILE 30 9.472 3.839 -6.566 230 H ASP 31 HN ASP 31 5.318 6.758 -10.183 231 HA ASP 31 HA ASP 31 6.421 8.955 -11.701 232 HB2 ASP 31 HB2 ASP 31 6.260 6.676 -12.663 233 HB3 ASP 31 HB1 ASP 31 4.501 6.758 -12.565 234 H ASP 32 HN ASP 32 3.195 8.089 -10.449 235 HA ASP 32 HA ASP 32 1.929 10.342 -11.852 236 HB2 ASP 32 HB2 ASP 32 0.792 8.090 -10.144 237 HB3 ASP 32 HB1 ASP 32 -0.192 9.473 -10.609 238 H LEU 33 HN LEU 33 2.243 9.165 -8.469 239 HA LEU 33 HA LEU 33 1.281 11.614 -7.323 240 HB2 LEU 33 HB2 LEU 33 2.718 9.307 -5.962 241 HB3 LEU 33 HB1 LEU 33 1.808 10.579 -5.154 242 HG LEU 33 HG LEU 33 0.654 8.438 -6.989 243 HD11 LEU 33 HD11 LEU 33 0.394 8.774 -3.982 244 HD12 LEU 33 HD12 LEU 33 1.326 7.535 -4.826 245 HD13 LEU 33 HD13 LEU 33 -0.428 7.558 -4.972 246 HD21 LEU 33 HD21 LEU 33 -0.819 10.637 -5.485 247 HD22 LEU 33 HD22 LEU 33 -1.569 9.318 -6.384 248 HD23 LEU 33 HD23 LEU 33 -0.614 10.525 -7.236 249 H GLY 34 HN GLY 34 4.294 10.793 -8.592 250 HA2 GLY 34 HA2 GLY 34 6.267 11.940 -8.743 251 HA3 GLY 34 HA1 GLY 34 5.458 13.305 -7.995 252 H ILE 35 HN ILE 35 5.804 10.156 -6.450 253 HA ILE 35 HA ILE 35 7.197 11.378 -4.180 254 HB ILE 35 HB ILE 35 6.011 8.595 -4.596 255 HG12 ILE 35 HG12 ILE 35 5.016 10.873 -2.818 256 HG13 ILE 35 HG11 ILE 35 4.364 10.512 -4.414 257 HG21 ILE 35 HG21 ILE 35 7.206 9.736 -2.043 258 HG22 ILE 35 HG22 ILE 35 7.896 8.437 -3.017 259 HG23 ILE 35 HG23 ILE 35 6.363 8.193 -2.184 260 HD11 ILE 35 HD11 ILE 35 2.942 9.637 -2.677 261 HD12 ILE 35 HD12 ILE 35 4.275 8.703 -2.002 262 HD13 ILE 35 HD13 ILE 35 3.641 8.309 -3.604 263 H ASP 36 HN ASP 36 9.372 11.254 -3.995 264 HA ASP 36 HA ASP 36 11.007 9.719 -5.780 265 HB2 ASP 36 HB2 ASP 36 11.584 12.019 -4.818 266 HB3 ASP 36 HB1 ASP 36 11.881 11.230 -3.276 267 H SER 37 HN SER 37 12.687 8.228 -5.018 268 HA SER 37 HA SER 37 11.680 5.996 -3.694 269 HB2 SER 37 HB2 SER 37 14.623 6.677 -4.131 270 HB3 SER 37 HB1 SER 37 13.931 5.064 -3.910 271 HG SER 37 HG SER 37 13.697 5.058 -5.991 272 H LEU 38 HN LEU 38 13.498 8.757 -2.414 273 HA LEU 38 HA LEU 38 14.305 7.520 0.042 274 HB2 LEU 38 HB2 LEU 38 15.092 9.712 0.725 275 HB3 LEU 38 HB1 LEU 38 15.558 9.390 -0.928 276 HG LEU 38 HG LEU 38 13.428 10.910 -1.504 277 HD11 LEU 38 HD11 LEU 38 14.106 11.953 1.270 278 HD12 LEU 38 HD12 LEU 38 12.578 11.226 0.766 279 HD13 LEU 38 HD13 LEU 38 13.083 12.766 0.079 280 HD21 LEU 38 HD21 LEU 38 14.881 12.884 -1.634 281 HD22 LEU 38 HD22 LEU 38 15.738 11.431 -2.148 282 HD23 LEU 38 HD23 LEU 38 16.047 12.115 -0.549 283 H ASP 39 HN ASP 39 11.585 9.525 -0.969 284 HA ASP 39 HA ASP 39 10.332 9.889 1.569 285 HB2 ASP 39 HB2 ASP 39 9.091 9.847 -1.230 286 HB3 ASP 39 HB1 ASP 39 8.256 10.382 0.229 287 H PHE 40 HN PHE 40 10.082 7.485 -0.999 288 HA PHE 40 HA PHE 40 7.809 6.119 -0.018 289 HB2 PHE 40 HB2 PHE 40 8.781 6.059 -2.410 290 HB3 PHE 40 HB1 PHE 40 9.941 4.880 -1.807 291 HD1 PHE 40 HD2 PHE 40 9.159 2.605 -1.084 292 HD2 PHE 40 HD1 PHE 40 6.431 5.471 -2.720 293 HE1 PHE 40 HE2 PHE 40 7.475 0.839 -1.393 294 HE2 PHE 40 HE1 PHE 40 4.757 3.697 -3.008 295 HZ PHE 40 HZ PHE 40 5.278 1.385 -2.352 296 H LEU 41 HN LEU 41 11.258 5.822 0.688 297 HA LEU 41 HA LEU 41 11.272 3.345 2.051 298 HB2 LEU 41 HB2 LEU 41 12.963 5.816 2.599 299 HB3 LEU 41 HB1 LEU 41 13.291 4.210 3.239 300 HG LEU 41 HG LEU 41 13.442 5.081 0.331 301 HD11 LEU 41 HD11 LEU 41 15.360 5.768 1.689 302 HD12 LEU 41 HD12 LEU 41 15.815 4.544 0.509 303 HD13 LEU 41 HD13 LEU 41 15.611 4.098 2.207 304 HD21 LEU 41 HD21 LEU 41 12.516 2.838 0.388 305 HD22 LEU 41 HD22 LEU 41 13.794 2.294 1.479 306 HD23 LEU 41 HD23 LEU 41 14.183 2.779 -0.174 307 H ASP 42 HN ASP 42 10.556 6.624 3.146 308 HA ASP 42 HA ASP 42 10.152 5.959 5.932 309 HB2 ASP 42 HB2 ASP 42 9.451 8.480 4.362 310 HB3 ASP 42 HB1 ASP 42 9.271 8.315 6.109 311 H ILE 43 HN ILE 43 8.065 6.462 3.115 312 HA ILE 43 HA ILE 43 5.538 6.207 4.322 313 HB ILE 43 HB ILE 43 6.486 5.331 1.553 314 HG12 ILE 43 HG12 ILE 43 4.908 7.797 2.421 315 HG13 ILE 43 HG11 ILE 43 6.604 7.773 1.947 316 HG21 ILE 43 HG21 ILE 43 4.111 5.197 0.857 317 HG22 ILE 43 HG22 ILE 43 3.607 5.468 2.526 318 HG23 ILE 43 HG23 ILE 43 4.498 4.007 2.098 319 HD11 ILE 43 HD11 ILE 43 5.225 8.647 0.172 320 HD12 ILE 43 HD12 ILE 43 4.237 7.187 0.168 321 HD13 ILE 43 HD13 ILE 43 5.932 7.110 -0.326 322 H ALA 44 HN ALA 44 7.838 3.787 3.108 323 HA ALA 44 HA ALA 44 6.128 1.516 3.481 324 HB1 ALA 44 HB1 ALA 44 9.105 1.672 2.853 325 HB2 ALA 44 HB2 ALA 44 7.802 1.595 1.667 326 HB3 ALA 44 HB3 ALA 44 8.098 0.223 2.736 327 H PHE 45 HN PHE 45 8.752 3.061 5.284 328 HA PHE 45 HA PHE 45 9.062 1.249 7.393 329 HB2 PHE 45 HB2 PHE 45 10.565 3.176 7.016 330 HB3 PHE 45 HB1 PHE 45 9.267 4.295 7.413 331 HD1 PHE 45 HD1 PHE 45 11.348 1.537 8.873 332 HD2 PHE 45 HD2 PHE 45 8.978 5.006 9.684 333 HE1 PHE 45 HE1 PHE 45 12.033 1.462 11.231 334 HE2 PHE 45 HE2 PHE 45 9.678 4.920 12.044 335 HZ PHE 45 HZ PHE 45 11.203 3.148 12.819 336 H ALA 46 HN ALA 46 6.741 3.917 6.976 337 HA ALA 46 HA ALA 46 5.454 3.599 9.523 338 HB1 ALA 46 HB1 ALA 46 4.507 5.049 7.033 339 HB2 ALA 46 HB2 ALA 46 5.454 5.748 8.347 340 HB3 ALA 46 HB3 ALA 46 3.802 5.205 8.648 341 H ILE 47 HN ILE 47 4.891 2.333 6.279 342 HA ILE 47 HA ILE 47 2.388 1.047 6.724 343 HB ILE 47 HB ILE 47 4.631 0.523 4.728 344 HG12 ILE 47 HG12 ILE 47 1.843 1.690 4.297 345 HG13 ILE 47 HG11 ILE 47 3.315 2.642 4.450 346 HG21 ILE 47 HG21 ILE 47 3.147 -0.988 3.486 347 HG22 ILE 47 HG22 ILE 47 1.932 -0.864 4.756 348 HG23 ILE 47 HG23 ILE 47 3.489 -1.623 5.094 349 HD11 ILE 47 HD11 ILE 47 2.716 0.664 2.242 350 HD12 ILE 47 HD12 ILE 47 4.179 1.644 2.391 351 HD13 ILE 47 HD13 ILE 47 2.617 2.420 2.133 352 H ASP 48 HN ASP 48 5.727 -0.023 6.946 353 HA ASP 48 HA ASP 48 5.537 -2.705 7.535 354 HB2 ASP 48 HB2 ASP 48 7.629 -1.387 7.069 355 HB3 ASP 48 HB1 ASP 48 7.515 -0.678 8.674 356 H LYS 49 HN LYS 49 5.580 0.040 9.772 357 HA LYS 49 HA LYS 49 5.216 -1.473 12.165 358 HB2 LYS 49 HB2 LYS 49 4.831 1.498 11.657 359 HB3 LYS 49 HB1 LYS 49 4.916 0.744 13.250 360 HG2 LYS 49 HG2 LYS 49 7.247 0.011 12.747 361 HG3 LYS 49 HG1 LYS 49 7.146 0.824 11.184 362 HD2 LYS 49 HD2 LYS 49 8.332 2.248 12.774 363 HD3 LYS 49 HD1 LYS 49 6.787 2.992 12.344 364 HE2 LYS 49 HE2 LYS 49 5.841 1.946 14.491 365 HE3 LYS 49 HE1 LYS 49 7.506 1.556 14.931 366 HZ1 LYS 49 HZ1 LYS 49 6.388 4.259 14.437 367 HZ2 LYS 49 HZ2 LYS 49 8.005 3.936 14.797 368 HZ3 LYS 49 HZ3 LYS 49 6.807 3.603 15.939 369 H ALA 50 HN ALA 50 2.966 0.562 10.225 370 HA ALA 50 HA ALA 50 0.771 0.462 11.985 371 HB1 ALA 50 HB1 ALA 50 -0.566 1.353 10.130 372 HB2 ALA 50 HB2 ALA 50 0.713 0.929 8.986 373 HB3 ALA 50 HB3 ALA 50 1.000 2.163 10.215 374 H PHE 51 HN PHE 51 1.538 -1.576 9.179 375 HA PHE 51 HA PHE 51 -0.813 -3.267 9.550 376 HB2 PHE 51 HB2 PHE 51 1.440 -3.280 7.514 377 HB3 PHE 51 HB1 PHE 51 0.167 -4.495 7.539 378 HD1 PHE 51 HD1 PHE 51 -2.208 -3.844 7.107 379 HD2 PHE 51 HD2 PHE 51 1.008 -1.065 6.615 380 HE1 PHE 51 HE1 PHE 51 -3.646 -2.410 5.730 381 HE2 PHE 51 HE2 PHE 51 -0.441 0.349 5.221 382 HZ PHE 51 HZ PHE 51 -2.760 -0.325 4.781 383 H GLY 52 HN GLY 52 2.247 -3.160 10.921 384 HA2 GLY 52 HA2 GLY 52 3.328 -4.564 12.379 385 HA3 GLY 52 HA1 GLY 52 1.833 -5.483 12.469 386 H ILE 53 HN ILE 53 4.086 -4.877 9.832 387 HA ILE 53 HA ILE 53 4.638 -7.760 9.479 388 HB ILE 53 HB ILE 53 4.403 -7.444 6.988 389 HG12 ILE 53 HG12 ILE 53 3.068 -4.783 7.702 390 HG13 ILE 53 HG11 ILE 53 4.650 -4.927 6.948 391 HG21 ILE 53 HG21 ILE 53 1.946 -7.551 6.937 392 HG22 ILE 53 HG22 ILE 53 1.873 -6.919 8.580 393 HG23 ILE 53 HG23 ILE 53 2.601 -8.499 8.272 394 HD11 ILE 53 HD11 ILE 53 3.583 -5.989 5.004 395 HD12 ILE 53 HD12 ILE 53 2.972 -4.370 5.328 396 HD13 ILE 53 HD13 ILE 53 2.007 -5.776 5.774 397 H LYS 54 HN LYS 54 6.377 -7.938 7.630 398 HA LYS 54 HA LYS 54 8.373 -5.756 7.832 399 HB2 LYS 54 HB2 LYS 54 8.936 -8.021 9.024 400 HB3 LYS 54 HB1 LYS 54 9.138 -8.682 7.408 401 HG2 LYS 54 HG2 LYS 54 10.701 -6.308 8.506 402 HG3 LYS 54 HG1 LYS 54 11.272 -7.976 8.570 403 HD2 LYS 54 HD2 LYS 54 10.709 -6.391 6.017 404 HD3 LYS 54 HD1 LYS 54 12.306 -6.670 6.719 405 HE2 LYS 54 HE2 LYS 54 10.431 -8.821 5.665 406 HE3 LYS 54 HE1 LYS 54 11.860 -8.204 4.839 407 HZ1 LYS 54 HZ1 LYS 54 13.233 -9.051 6.638 408 HZ2 LYS 54 HZ2 LYS 54 12.308 -10.293 5.956 409 HZ3 LYS 54 HZ3 LYS 54 11.863 -9.629 7.443 410 H LEU 55 HN LEU 55 8.326 -4.731 5.938 411 HA LEU 55 HA LEU 55 7.514 -5.969 3.464 412 HB2 LEU 55 HB2 LEU 55 8.739 -3.237 3.991 413 HB3 LEU 55 HB1 LEU 55 8.080 -3.767 2.447 414 HG LEU 55 HG LEU 55 6.500 -3.302 5.019 415 HD11 LEU 55 HD11 LEU 55 5.435 -1.476 3.772 416 HD12 LEU 55 HD12 LEU 55 6.478 -1.793 2.384 417 HD13 LEU 55 HD13 LEU 55 7.173 -1.230 3.906 418 HD21 LEU 55 HD21 LEU 55 5.476 -4.235 2.309 419 HD22 LEU 55 HD22 LEU 55 4.475 -3.776 3.686 420 HD23 LEU 55 HD23 LEU 55 5.518 -5.189 3.794 421 HA PRO 56 HA PRO 56 11.858 -6.908 2.188 422 HB2 PRO 56 HB2 PRO 56 10.712 -8.256 -0.152 423 HB3 PRO 56 HB1 PRO 56 11.577 -8.973 1.210 424 HG2 PRO 56 HG2 PRO 56 8.899 -9.375 0.756 425 HG3 PRO 56 HG1 PRO 56 9.638 -9.445 2.369 426 HD2 PRO 56 HD2 PRO 56 8.117 -7.177 1.080 427 HD3 PRO 56 HD1 PRO 56 8.002 -7.817 2.735 428 H LEU 57 HN LEU 57 11.092 -4.414 1.904 429 HA LEU 57 HA LEU 57 10.344 -3.365 -0.586 430 HB2 LEU 57 HB2 LEU 57 10.230 -2.203 1.663 431 HB3 LEU 57 HB1 LEU 57 11.965 -2.027 1.636 432 HG LEU 57 HG LEU 57 10.646 0.071 1.110 433 HD11 LEU 57 HD11 LEU 57 12.537 -0.747 -1.100 434 HD12 LEU 57 HD12 LEU 57 12.999 -0.083 0.467 435 HD13 LEU 57 HD13 LEU 57 12.071 0.900 -0.663 436 HD21 LEU 57 HD21 LEU 57 9.661 0.364 -1.108 437 HD22 LEU 57 HD22 LEU 57 8.849 -0.912 -0.206 438 HD23 LEU 57 HD23 LEU 57 9.986 -1.329 -1.490 439 H GLU 58 HN GLU 58 13.492 -4.019 0.882 440 HA GLU 58 HA GLU 58 15.203 -2.918 -1.015 441 HB2 GLU 58 HB2 GLU 58 16.922 -4.489 -0.156 442 HB3 GLU 58 HB1 GLU 58 16.027 -3.712 1.141 443 HG2 GLU 58 HG2 GLU 58 14.776 -5.713 1.590 444 HG3 GLU 58 HG1 GLU 58 15.401 -6.502 0.145 445 H LYS 59 HN LYS 59 13.641 -6.113 -1.003 446 HA LYS 59 HA LYS 59 15.012 -7.220 -3.238 447 HB2 LYS 59 HB2 LYS 59 13.793 -8.617 -1.586 448 HB3 LYS 59 HB1 LYS 59 12.268 -7.912 -2.092 449 HG2 LYS 59 HG2 LYS 59 12.476 -10.119 -3.060 450 HG3 LYS 59 HG1 LYS 59 12.570 -8.923 -4.347 451 HD2 LYS 59 HD2 LYS 59 14.221 -10.626 -4.791 452 HD3 LYS 59 HD1 LYS 59 15.077 -9.162 -4.315 453 HE2 LYS 59 HE2 LYS 59 15.281 -10.109 -1.990 454 HE3 LYS 59 HE1 LYS 59 14.558 -11.604 -2.580 455 HZ1 LYS 59 HZ1 LYS 59 16.397 -11.845 -4.114 456 HZ2 LYS 59 HZ2 LYS 59 16.954 -11.727 -2.522 457 HZ3 LYS 59 HZ3 LYS 59 17.077 -10.401 -3.559 458 H TRP 60 HN TRP 60 11.960 -5.475 -2.859 459 HA TRP 60 HA TRP 60 10.930 -5.701 -5.472 460 HB2 TRP 60 HB2 TRP 60 10.499 -3.407 -3.500 461 HB3 TRP 60 HB1 TRP 60 9.467 -3.799 -4.872 462 HD1 TRP 60 HD1 TRP 60 9.829 -7.123 -3.821 463 HE1 TRP 60 HE1 TRP 60 8.171 -7.837 -2.006 464 HE3 TRP 60 HE3 TRP 60 8.307 -2.509 -2.224 465 HZ2 TRP 60 HZ2 TRP 60 6.455 -6.647 -0.155 466 HZ3 TRP 60 HZ3 TRP 60 6.640 -2.389 -0.418 467 HH2 TRP 60 HH2 TRP 60 5.730 -4.421 0.592 468 H THR 61 HN THR 61 12.821 -3.128 -3.941 469 HA THR 61 HA THR 61 13.033 -1.327 -6.082 470 HB THR 61 HB THR 61 14.925 -1.756 -3.717 471 HG1 THR 61 HG1 THR 61 12.751 -1.287 -3.113 472 HG21 THR 61 HG21 THR 61 15.601 0.607 -4.021 473 HG22 THR 61 HG22 THR 61 14.599 0.723 -5.468 474 HG23 THR 61 HG23 THR 61 16.005 -0.344 -5.453 475 H GLN 62 HN GLN 62 15.138 -4.031 -5.074 476 HA GLN 62 HA GLN 62 17.265 -3.438 -6.892 477 HB2 GLN 62 HB2 GLN 62 16.651 -5.896 -5.214 478 HB3 GLN 62 HB1 GLN 62 18.074 -5.784 -6.254 479 HG2 GLN 62 HG2 GLN 62 18.830 -3.786 -4.981 480 HG3 GLN 62 HG1 GLN 62 17.422 -3.941 -3.934 481 HE21 GLN 62 HE21 GLN 62 20.532 -5.325 -4.779 482 HE22 GLN 62 HE22 GLN 62 20.650 -6.373 -3.411 483 H GLU 63 HN GLU 63 14.511 -5.728 -7.019 484 HA GLU 63 HA GLU 63 15.204 -7.091 -9.381 485 HB2 GLU 63 HB2 GLU 63 12.466 -6.503 -8.189 486 HB3 GLU 63 HB1 GLU 63 12.703 -7.532 -9.603 487 HG2 GLU 63 HG2 GLU 63 13.871 -8.051 -6.843 488 HG3 GLU 63 HG1 GLU 63 12.414 -8.806 -7.489 489 H VAL 64 HN VAL 64 13.359 -4.089 -8.914 490 HA VAL 64 HA VAL 64 12.732 -3.486 -11.584 491 HB VAL 64 HB VAL 64 13.400 -1.559 -9.304 492 HG11 VAL 64 HG11 VAL 64 12.183 0.174 -10.615 493 HG12 VAL 64 HG12 VAL 64 12.019 -0.961 -11.956 494 HG13 VAL 64 HG13 VAL 64 13.618 -0.391 -11.475 495 HG21 VAL 64 HG21 VAL 64 10.934 -1.378 -9.040 496 HG22 VAL 64 HG22 VAL 64 11.472 -3.044 -8.814 497 HG23 VAL 64 HG23 VAL 64 10.706 -2.563 -10.330 498 H ASN 65 HN ASN 65 15.602 -2.628 -9.678 499 HA ASN 65 HA ASN 65 17.025 -1.253 -11.691 500 HB2 ASN 65 HB2 ASN 65 17.973 -2.575 -9.116 501 HB3 ASN 65 HB1 ASN 65 18.984 -1.522 -10.108 502 HD21 ASN 65 HD21 ASN 65 17.749 -1.316 -7.319 503 HD22 ASN 65 HD22 ASN 65 17.044 0.258 -7.301 504 H ASP 66 HN ASP 66 16.917 -4.724 -10.906 505 HA ASP 66 HA ASP 66 19.128 -5.437 -12.594 506 HB2 ASP 66 HB2 ASP 66 16.957 -7.102 -11.271 507 HB3 ASP 66 HB1 ASP 66 18.283 -7.802 -12.197 508 H GLY 67 HN GLY 67 16.167 -4.268 -13.488 509 HA2 GLY 67 HA2 GLY 67 14.812 -4.429 -15.313 510 HA3 GLY 67 HA1 GLY 67 16.118 -5.289 -16.113 511 H LYS 68 HN LYS 68 14.902 -6.633 -13.183 512 HA LYS 68 HA LYS 68 13.741 -8.950 -14.471 513 HB2 LYS 68 HB2 LYS 68 13.993 -8.088 -11.565 514 HB3 LYS 68 HB1 LYS 68 13.210 -9.589 -12.043 515 HG2 LYS 68 HG2 LYS 68 16.114 -8.865 -12.573 516 HG3 LYS 68 HG1 LYS 68 15.540 -9.947 -11.298 517 HD2 LYS 68 HD2 LYS 68 15.282 -10.390 -14.307 518 HD3 LYS 68 HD1 LYS 68 16.380 -11.247 -13.216 519 HE2 LYS 68 HE2 LYS 68 14.474 -12.262 -12.057 520 HE3 LYS 68 HE1 LYS 68 13.338 -11.330 -13.031 521 HZ1 LYS 68 HZ1 LYS 68 15.155 -13.462 -13.962 522 HZ2 LYS 68 HZ2 LYS 68 14.239 -12.481 -14.986 523 HZ3 LYS 68 HZ3 LYS 68 13.468 -13.503 -13.888 524 H ALA 69 HN ALA 69 12.678 -5.944 -13.155 525 HA ALA 69 HA ALA 69 9.948 -6.335 -14.070 526 HB1 ALA 69 HB1 ALA 69 8.942 -5.709 -11.890 527 HB2 ALA 69 HB2 ALA 69 10.542 -5.714 -11.138 528 HB3 ALA 69 HB3 ALA 69 9.850 -7.218 -11.750 529 H THR 70 HN THR 70 8.749 -4.225 -13.742 530 HA THR 70 HA THR 70 10.549 -1.863 -13.912 531 HB THR 70 HB THR 70 8.617 -0.650 -14.952 532 HG1 THR 70 HG1 THR 70 6.754 -1.706 -15.466 533 HG21 THR 70 HG21 THR 70 8.661 -1.745 -17.153 534 HG22 THR 70 HG22 THR 70 9.329 -3.210 -16.430 535 HG23 THR 70 HG23 THR 70 10.276 -1.719 -16.438 536 H THR 71 HN THR 71 9.467 0.173 -12.927 537 HA THR 71 HA THR 71 9.252 -0.226 -10.182 538 HB THR 71 HB THR 71 8.406 2.175 -10.053 539 HG1 THR 71 HG1 THR 71 8.499 1.896 -12.884 540 HG21 THR 71 HG21 THR 71 10.878 1.744 -11.784 541 HG22 THR 71 HG22 THR 71 10.826 1.720 -10.019 542 HG23 THR 71 HG23 THR 71 10.482 3.214 -10.888 543 H GLU 72 HN GLU 72 6.652 0.184 -12.595 544 HA GLU 72 HA GLU 72 4.485 0.669 -10.984 545 HB2 GLU 72 HB2 GLU 72 3.056 -0.128 -12.794 546 HB3 GLU 72 HB1 GLU 72 4.420 0.787 -13.435 547 HG2 GLU 72 HG2 GLU 72 5.546 -1.410 -13.939 548 HG3 GLU 72 HG1 GLU 72 4.051 -2.218 -13.468 549 H GLN 73 HN GLN 73 5.887 -2.507 -11.676 550 HA GLN 73 HA GLN 73 3.810 -4.142 -10.839 551 HB2 GLN 73 HB2 GLN 73 5.806 -4.886 -12.133 552 HB3 GLN 73 HB1 GLN 73 6.798 -4.748 -10.685 553 HG2 GLN 73 HG2 GLN 73 5.498 -6.515 -9.595 554 HG3 GLN 73 HG1 GLN 73 4.413 -6.599 -10.976 555 HE21 GLN 73 HE21 GLN 73 7.561 -7.418 -9.767 556 HE22 GLN 73 HE22 GLN 73 7.984 -8.518 -11.021 557 H TYR 74 HN TYR 74 6.204 -2.482 -8.863 558 HA TYR 74 HA TYR 74 5.030 -3.681 -6.405 559 HB2 TYR 74 HB2 TYR 74 7.733 -2.289 -6.714 560 HB3 TYR 74 HB1 TYR 74 7.140 -3.129 -5.281 561 HD1 TYR 74 HD2 TYR 74 6.537 -5.679 -5.595 562 HD2 TYR 74 HD1 TYR 74 9.075 -3.479 -8.253 563 HE1 TYR 74 HE2 TYR 74 7.528 -7.777 -6.398 564 HE2 TYR 74 HE1 TYR 74 10.052 -5.579 -9.053 565 HH TYR 74 HH TYR 74 8.713 -8.637 -8.323 566 H PHE 75 HN PHE 75 5.500 -0.669 -8.135 567 HA PHE 75 HA PHE 75 5.016 0.944 -5.710 568 HB2 PHE 75 HB2 PHE 75 6.573 1.673 -8.238 569 HB3 PHE 75 HB1 PHE 75 6.338 2.724 -6.845 570 HD1 PHE 75 HD1 PHE 75 7.265 1.847 -4.544 571 HD2 PHE 75 HD2 PHE 75 8.534 0.274 -8.307 572 HE1 PHE 75 HE1 PHE 75 9.300 0.951 -3.496 573 HE2 PHE 75 HE2 PHE 75 10.570 -0.611 -7.250 574 HZ PHE 75 HZ PHE 75 10.950 -0.280 -4.839 575 H VAL 76 HN VAL 76 3.109 -0.272 -7.850 576 HA VAL 76 HA VAL 76 1.479 2.203 -8.102 577 HB VAL 76 HB VAL 76 1.092 -0.552 -9.382 578 HG11 VAL 76 HG11 VAL 76 -0.888 1.764 -9.450 579 HG12 VAL 76 HG12 VAL 76 -1.129 0.223 -8.623 580 HG13 VAL 76 HG13 VAL 76 -1.019 0.270 -10.382 581 HG21 VAL 76 HG21 VAL 76 2.626 0.974 -10.582 582 HG22 VAL 76 HG22 VAL 76 1.353 2.195 -10.665 583 HG23 VAL 76 HG23 VAL 76 1.163 0.658 -11.517 584 H LEU 77 HN LEU 77 -0.461 2.275 -6.965 585 HA LEU 77 HA LEU 77 -0.276 1.479 -4.338 586 HB2 LEU 77 HB2 LEU 77 -2.384 2.803 -5.998 587 HB3 LEU 77 HB1 LEU 77 -2.882 2.220 -4.429 588 HG LEU 77 HG LEU 77 -2.291 4.580 -4.323 589 HD11 LEU 77 HD11 LEU 77 -0.819 4.507 -2.393 590 HD12 LEU 77 HD12 LEU 77 -0.311 2.866 -2.794 591 HD13 LEU 77 HD13 LEU 77 -1.986 3.190 -2.336 592 HD21 LEU 77 HD21 LEU 77 -0.635 4.705 -6.123 593 HD22 LEU 77 HD22 LEU 77 0.521 3.774 -5.165 594 HD23 LEU 77 HD23 LEU 77 0.013 5.380 -4.631 595 H LYS 78 HN LYS 78 -2.293 -0.031 -6.860 596 HA LYS 78 HA LYS 78 -3.708 -1.838 -5.180 597 HB2 LYS 78 HB2 LYS 78 -4.160 -3.153 -7.266 598 HB3 LYS 78 HB1 LYS 78 -4.488 -1.433 -7.459 599 HG2 LYS 78 HG2 LYS 78 -2.388 -1.120 -8.658 600 HG3 LYS 78 HG1 LYS 78 -1.956 -2.811 -8.403 601 HD2 LYS 78 HD2 LYS 78 -3.897 -3.491 -9.797 602 HD3 LYS 78 HD1 LYS 78 -4.285 -1.788 -10.068 603 HE2 LYS 78 HE2 LYS 78 -2.129 -1.460 -11.214 604 HE3 LYS 78 HE1 LYS 78 -1.680 -3.141 -10.890 605 HZ1 LYS 78 HZ1 LYS 78 -3.582 -3.830 -12.232 606 HZ2 LYS 78 HZ2 LYS 78 -2.487 -2.901 -13.120 607 HZ3 LYS 78 HZ3 LYS 78 -3.935 -2.215 -12.586 608 H ASN 79 HN ASN 79 -0.618 -2.086 -6.854 609 HA ASN 79 HA ASN 79 -0.160 -4.881 -6.369 610 HB2 ASN 79 HB2 ASN 79 1.735 -2.679 -7.315 611 HB3 ASN 79 HB1 ASN 79 2.074 -4.405 -7.376 612 HD21 ASN 79 HD21 ASN 79 1.825 -2.324 -9.502 613 HD22 ASN 79 HD22 ASN 79 0.714 -2.986 -10.640 614 H LEU 80 HN LEU 80 0.995 -1.846 -5.031 615 HA LEU 80 HA LEU 80 2.814 -2.747 -3.117 616 HB2 LEU 80 HB2 LEU 80 2.657 -0.384 -3.815 617 HB3 LEU 80 HB1 LEU 80 1.039 -0.269 -3.148 618 HG LEU 80 HG LEU 80 1.971 -0.601 -0.856 619 HD11 LEU 80 HD11 LEU 80 3.979 -1.884 -1.370 620 HD12 LEU 80 HD12 LEU 80 4.389 -0.443 -0.445 621 HD13 LEU 80 HD13 LEU 80 4.697 -0.487 -2.183 622 HD21 LEU 80 HD21 LEU 80 2.967 1.632 -0.607 623 HD22 LEU 80 HD22 LEU 80 1.561 1.672 -1.669 624 HD23 LEU 80 HD23 LEU 80 3.185 1.740 -2.357 625 H ALA 81 HN ALA 81 -0.629 -1.855 -2.800 626 HA ALA 81 HA ALA 81 -1.016 -2.637 -0.121 627 HB1 ALA 81 HB1 ALA 81 -2.554 -1.137 -1.322 628 HB2 ALA 81 HB2 ALA 81 -3.419 -2.491 -0.591 629 HB3 ALA 81 HB3 ALA 81 -3.090 -2.483 -2.328 630 H ALA 82 HN ALA 82 -1.069 -4.513 -3.091 631 HA ALA 82 HA ALA 82 -2.259 -6.900 -2.069 632 HB1 ALA 82 HB1 ALA 82 -1.293 -7.991 -4.061 633 HB2 ALA 82 HB2 ALA 82 -0.319 -6.553 -4.385 634 HB3 ALA 82 HB3 ALA 82 -2.079 -6.468 -4.482 635 H ARG 83 HN ARG 83 1.128 -5.882 -2.541 636 HA ARG 83 HA ARG 83 2.513 -8.078 -1.497 637 HB2 ARG 83 HB2 ARG 83 3.276 -5.126 -1.382 638 HB3 ARG 83 HB1 ARG 83 4.384 -6.455 -1.081 639 HG2 ARG 83 HG2 ARG 83 2.975 -6.179 -3.740 640 HG3 ARG 83 HG1 ARG 83 4.439 -5.272 -3.385 641 HD2 ARG 83 HD2 ARG 83 5.147 -7.196 -4.567 642 HD3 ARG 83 HD1 ARG 83 5.574 -7.492 -2.885 643 HE ARG 83 HE ARG 83 3.320 -8.809 -2.910 644 HH11 ARG 83 HH11 ARG 83 5.584 -8.637 -5.580 645 HH12 ARG 83 HH12 ARG 83 5.281 -10.257 -6.101 646 HH21 ARG 83 HH21 ARG 83 2.905 -10.932 -3.644 647 HH22 ARG 83 HH22 ARG 83 3.752 -11.542 -5.033 648 H ILE 84 HN ILE 84 1.345 -5.168 0.113 649 HA ILE 84 HA ILE 84 2.292 -5.643 2.723 650 HB ILE 84 HB ILE 84 -0.041 -3.990 1.664 651 HG12 ILE 84 HG12 ILE 84 2.738 -3.035 2.505 652 HG13 ILE 84 HG11 ILE 84 2.330 -3.456 0.847 653 HG21 ILE 84 HG21 ILE 84 1.216 -3.846 4.423 654 HG22 ILE 84 HG22 ILE 84 -0.417 -4.391 4.044 655 HG23 ILE 84 HG23 ILE 84 0.033 -2.709 3.774 656 HD11 ILE 84 HD11 ILE 84 1.023 -1.275 2.457 657 HD12 ILE 84 HD12 ILE 84 0.690 -1.678 0.769 658 HD13 ILE 84 HD13 ILE 84 2.274 -1.064 1.235 659 H ASP 85 HN ASP 85 -0.944 -6.156 1.277 660 HA ASP 85 HA ASP 85 -2.288 -7.122 3.532 661 HB2 ASP 85 HB2 ASP 85 -3.456 -6.303 1.532 662 HB3 ASP 85 HB1 ASP 85 -2.841 -7.646 0.580 663 H GLU 86 HN GLU 86 -0.535 -8.898 1.016 664 HA GLU 86 HA GLU 86 -1.272 -11.525 1.905 665 HB2 GLU 86 HB2 GLU 86 0.388 -12.382 0.332 666 HB3 GLU 86 HB1 GLU 86 -0.538 -11.092 -0.427 667 HG2 GLU 86 HG2 GLU 86 1.342 -9.529 0.057 668 HG3 GLU 86 HG1 GLU 86 2.275 -10.889 0.672 669 H LEU 87 HN LEU 87 1.404 -9.327 2.656 670 HA LEU 87 HA LEU 87 2.813 -11.126 4.377 671 HB2 LEU 87 HB2 LEU 87 2.799 -8.095 4.272 672 HB3 LEU 87 HB1 LEU 87 3.869 -9.022 5.313 673 HG LEU 87 HG LEU 87 3.851 -9.193 2.275 674 HD11 LEU 87 HD11 LEU 87 4.610 -6.995 3.024 675 HD12 LEU 87 HD12 LEU 87 5.928 -7.925 2.321 676 HD13 LEU 87 HD13 LEU 87 5.813 -7.749 4.075 677 HD21 LEU 87 HD21 LEU 87 4.632 -11.282 3.306 678 HD22 LEU 87 HD22 LEU 87 5.808 -10.388 4.273 679 HD23 LEU 87 HD23 LEU 87 5.961 -10.438 2.515 680 H VAL 88 HN VAL 88 0.141 -8.834 4.956 681 HA VAL 88 HA VAL 88 0.044 -9.030 7.802 682 HB VAL 88 HB VAL 88 -2.270 -8.403 5.890 683 HG11 VAL 88 HG11 VAL 88 -2.020 -7.856 8.884 684 HG12 VAL 88 HG12 VAL 88 -3.102 -9.033 8.135 685 HG13 VAL 88 HG13 VAL 88 -3.348 -7.309 7.854 686 HG21 VAL 88 HG21 VAL 88 -0.398 -6.810 5.612 687 HG22 VAL 88 HG22 VAL 88 -0.400 -6.483 7.342 688 HG23 VAL 88 HG23 VAL 88 -1.785 -6.009 6.354 689 H ALA 89 HN ALA 89 -1.495 -10.792 5.208 690 HA ALA 89 HA ALA 89 -3.003 -12.649 6.737 691 HB1 ALA 89 HB1 ALA 89 -1.983 -12.881 3.879 692 HB2 ALA 89 HB2 ALA 89 -3.514 -12.159 4.374 693 HB3 ALA 89 HB3 ALA 89 -3.237 -13.883 4.614 694 H ALA 90 HN ALA 90 0.274 -12.685 5.368 695 HA ALA 90 HA ALA 90 1.012 -15.339 5.958 696 HB1 ALA 90 HB1 ALA 90 2.816 -12.898 5.789 697 HB2 ALA 90 HB2 ALA 90 2.286 -13.880 4.424 698 HB3 ALA 90 HB3 ALA 90 3.332 -14.584 5.658 699 H LYS 91 HN LYS 91 1.197 -12.366 7.908 700 HA LYS 91 HA LYS 91 2.698 -13.674 10.053 701 HB2 LYS 91 HB2 LYS 91 3.102 -11.519 10.934 702 HB3 LYS 91 HB1 LYS 91 3.100 -11.249 9.203 703 HG2 LYS 91 HG2 LYS 91 1.794 -9.459 9.797 704 HG3 LYS 91 HG1 LYS 91 0.510 -10.670 9.686 705 HD2 LYS 91 HD2 LYS 91 0.703 -11.023 12.178 706 HD3 LYS 91 HD1 LYS 91 1.909 -9.735 12.243 707 HE2 LYS 91 HE2 LYS 91 -0.980 -9.415 11.359 708 HE3 LYS 91 HE1 LYS 91 -0.321 -8.935 12.925 709 HZ1 LYS 91 HZ1 LYS 91 -0.504 -7.090 11.380 710 HZ2 LYS 91 HZ2 LYS 91 0.548 -7.866 10.310 711 HZ3 LYS 91 HZ3 LYS 91 1.098 -7.374 11.826 712 H GLY 92 HN GLY 92 -0.552 -13.002 9.195 713 HA2 GLY 92 HA2 GLY 92 -1.948 -12.507 11.475 714 HA3 GLY 92 HA1 GLY 92 -2.585 -13.452 10.145 715 H ALA 93 HN ALA 93 -0.533 -15.589 10.667 716 HA ALA 93 HA ALA 93 -2.043 -17.207 12.529 717 HB1 ALA 93 HB1 ALA 93 -0.973 -18.176 10.524 718 HB2 ALA 93 HB2 ALA 93 -0.399 -18.962 11.996 719 HB3 ALA 93 HB3 ALA 93 0.618 -17.777 11.173 720 H LEU 94 HN LEU 94 0.335 -14.911 12.977 721 HA LEU 94 HA LEU 94 1.202 -15.870 15.627 722 HB2 LEU 94 HB2 LEU 94 2.674 -14.026 13.694 723 HB3 LEU 94 HB1 LEU 94 3.246 -14.486 15.293 724 HG LEU 94 HG LEU 94 2.901 -16.379 12.929 725 HD11 LEU 94 HD11 LEU 94 4.773 -14.830 12.592 726 HD12 LEU 94 HD12 LEU 94 5.359 -16.465 12.877 727 HD13 LEU 94 HD13 LEU 94 5.446 -15.263 14.170 728 HD21 LEU 94 HD21 LEU 94 4.034 -18.044 14.332 729 HD22 LEU 94 HD22 LEU 94 2.520 -17.525 15.064 730 HD23 LEU 94 HD23 LEU 94 4.055 -16.914 15.690 731 H GLU 95 HN GLU 95 1.883 -13.943 16.977 732 HA GLU 95 HA GLU 95 -0.280 -12.005 17.137 733 HB2 GLU 95 HB2 GLU 95 1.345 -11.428 19.327 734 HB3 GLU 95 HB1 GLU 95 -0.008 -12.533 19.339 735 HG2 GLU 95 HG2 GLU 95 1.855 -13.574 20.445 736 HG3 GLU 95 HG1 GLU 95 1.523 -14.432 18.944 737 H HIS 96 HN HIS 96 3.088 -11.231 18.014 738 HA HIS 96 HA HIS 96 4.512 -9.567 17.578 739 HB2 HIS 96 HB2 HIS 96 3.177 -9.572 14.842 740 HB3 HIS 96 HB1 HIS 96 4.597 -8.606 15.232 741 HD1 HIS 96 HD1 HIS 96 6.648 -9.666 14.410 742 HD2 HIS 96 HD2 HIS 96 3.843 -12.520 15.522 743 HE1 HIS 96 HE1 HIS 96 7.723 -11.875 13.939 744 HE2 HIS 96 HE2 HIS 96 6.072 -13.584 14.745 745 H HIS 97 HN HIS 97 1.813 -8.251 15.651 746 HA HIS 97 HA HIS 97 0.938 -6.474 17.767 747 HB2 HIS 97 HB2 HIS 97 2.930 -5.341 16.511 748 HB3 HIS 97 HB1 HIS 97 1.822 -5.170 15.155 749 HD1 HIS 97 HD1 HIS 97 -0.266 -3.570 15.553 750 HD2 HIS 97 HD2 HIS 97 2.588 -3.532 18.559 751 HE1 HIS 97 HE1 HIS 97 -0.810 -1.564 16.956 752 HE2 HIS 97 HE2 HIS 97 1.036 -1.475 18.669 753 H HIS 98 HN HIS 98 -0.269 -8.638 16.578 754 HA HIS 98 HA HIS 98 -2.031 -8.037 14.447 755 HB2 HIS 98 HB2 HIS 98 -1.543 -10.364 15.195 756 HB3 HIS 98 HB1 HIS 98 -2.405 -10.063 16.697 757 HD1 HIS 98 HD1 HIS 98 -2.911 -11.050 13.167 758 HD2 HIS 98 HD2 HIS 98 -5.290 -9.860 16.366 759 HE1 HIS 98 HE1 HIS 98 -5.260 -11.675 12.531 760 HE2 HIS 98 HE2 HIS 98 -6.658 -11.063 14.534 761 H HIS 99 HN HIS 99 -3.195 -8.615 17.804 762 HA HIS 99 HA HIS 99 -4.122 -5.952 18.227 763 HB2 HIS 99 HB2 HIS 99 -6.185 -8.017 17.391 764 HB3 HIS 99 HB1 HIS 99 -6.635 -6.830 18.600 765 HD1 HIS 99 HD1 HIS 99 -5.412 -4.291 17.510 766 HD2 HIS 99 HD2 HIS 99 -7.346 -7.069 15.106 767 HE1 HIS 99 HE1 HIS 99 -6.082 -3.034 15.448 768 HE2 HIS 99 HE2 HIS 99 -7.459 -4.679 14.133 769 H HIS 100 HN HIS 100 -3.562 -5.714 20.282 770 HA HIS 100 HA HIS 100 -4.668 -7.383 22.371 771 HB2 HIS 100 HB2 HIS 100 -2.604 -8.090 23.408 772 HB3 HIS 100 HB1 HIS 100 -2.475 -8.549 21.720 773 HD1 HIS 100 HD1 HIS 100 -0.750 -6.702 24.348 774 HD2 HIS 100 HD2 HIS 100 -0.734 -6.716 20.190 775 HE1 HIS 100 HE1 HIS 100 1.344 -5.491 23.684 776 HE2 HIS 100 HE2 HIS 100 1.265 -5.397 21.168 777 H HIS 101 HN HIS 101 -4.442 -6.384 24.485 778 HA HIS 101 HA HIS 101 -3.126 -3.853 24.861 779 HB2 HIS 101 HB2 HIS 101 -5.227 -2.552 25.407 780 HB3 HIS 101 HB1 HIS 101 -5.075 -2.958 23.703 781 HD1 HIS 101 HD1 HIS 101 -6.933 -4.179 26.800 782 HD2 HIS 101 HD2 HIS 101 -7.259 -4.221 22.660 783 HE1 HIS 101 HE1 HIS 101 -9.178 -5.187 26.311 784 HE2 HIS 101 HE2 HIS 101 -9.342 -5.234 23.797 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -13.881 0.391 3.697 2 H2 MET 1 HT2 MET 1 -14.521 0.514 5.253 3 H3 MET 1 HT3 MET 1 -15.360 -0.340 4.062 4 HA MET 1 HA MET 1 -14.269 -1.827 5.606 5 HB2 MET 1 HB2 MET 1 -12.891 -1.856 2.884 6 HB3 MET 1 HB1 MET 1 -13.151 -3.238 3.941 7 HG2 MET 1 HG2 MET 1 -15.528 -3.186 3.521 8 HG3 MET 1 HG1 MET 1 -15.384 -1.666 2.629 9 HE1 MET 1 HE1 MET 1 -16.272 -4.241 -0.232 10 HE2 MET 1 HE2 MET 1 -16.713 -2.706 0.511 11 HE3 MET 1 HE3 MET 1 -16.914 -4.210 1.411 12 H THR 2 HN THR 2 -12.119 -2.765 6.221 13 HA THR 2 HA THR 2 -10.097 -0.732 6.764 14 HB THR 2 HB THR 2 -10.023 -3.713 7.449 15 HG1 THR 2 HG1 THR 2 -10.849 -1.563 9.125 16 HG21 THR 2 HG21 THR 2 -8.504 -1.363 8.684 17 HG22 THR 2 HG22 THR 2 -7.797 -2.607 7.652 18 HG23 THR 2 HG23 THR 2 -8.432 -3.040 9.240 19 H SER 3 HN SER 3 -10.027 -0.554 4.288 20 HA SER 3 HA SER 3 -8.762 -2.548 2.698 21 HB2 SER 3 HB2 SER 3 -10.237 -0.913 1.644 22 HB3 SER 3 HB1 SER 3 -9.255 0.428 2.223 23 HG SER 3 HG SER 3 -8.852 -1.296 0.093 24 H THR 4 HN THR 4 -6.662 -2.964 2.474 25 HA THR 4 HA THR 4 -4.549 -1.877 3.918 26 HB THR 4 HB THR 4 -4.479 -3.339 1.231 27 HG1 THR 4 HG1 THR 4 -4.752 -5.110 2.378 28 HG21 THR 4 HG21 THR 4 -2.314 -2.264 1.686 29 HG22 THR 4 HG22 THR 4 -2.182 -4.012 1.884 30 HG23 THR 4 HG23 THR 4 -2.283 -2.969 3.304 31 H PHE 5 HN PHE 5 -5.559 -1.300 0.567 32 HA PHE 5 HA PHE 5 -3.749 0.636 -0.255 33 HB2 PHE 5 HB2 PHE 5 -5.104 -0.234 -1.980 34 HB3 PHE 5 HB1 PHE 5 -6.591 -0.052 -1.057 35 HD1 PHE 5 HD1 PHE 5 -3.917 2.014 -2.717 36 HD2 PHE 5 HD2 PHE 5 -8.024 1.766 -1.541 37 HE1 PHE 5 HE1 PHE 5 -4.370 4.175 -3.784 38 HE2 PHE 5 HE2 PHE 5 -8.456 3.918 -2.636 39 HZ PHE 5 HZ PHE 5 -6.632 5.124 -3.742 40 H ASP 6 HN ASP 6 -6.845 1.046 1.464 41 HA ASP 6 HA ASP 6 -7.051 3.852 1.385 42 HB2 ASP 6 HB2 ASP 6 -8.907 2.360 2.088 43 HB3 ASP 6 HB1 ASP 6 -8.025 1.935 3.548 44 H ARG 7 HN ARG 7 -5.579 1.697 3.785 45 HA ARG 7 HA ARG 7 -4.835 3.718 5.640 46 HB2 ARG 7 HB2 ARG 7 -3.643 0.939 5.325 47 HB3 ARG 7 HB1 ARG 7 -3.465 1.982 6.735 48 HG2 ARG 7 HG2 ARG 7 -5.991 0.615 5.753 49 HG3 ARG 7 HG1 ARG 7 -5.093 0.283 7.235 50 HD2 ARG 7 HD2 ARG 7 -5.669 2.640 7.990 51 HD3 ARG 7 HD1 ARG 7 -6.727 2.758 6.579 52 HE ARG 7 HE ARG 7 -7.065 0.848 8.816 53 HH11 ARG 7 HH11 ARG 7 -8.525 2.740 6.227 54 HH12 ARG 7 HH12 ARG 7 -10.144 2.340 6.703 55 HH21 ARG 7 HH21 ARG 7 -9.164 0.343 9.422 56 HH22 ARG 7 HH22 ARG 7 -10.510 0.979 8.527 57 H VAL 8 HN VAL 8 -3.149 2.214 2.880 58 HA VAL 8 HA VAL 8 -0.568 3.348 3.445 59 HB VAL 8 HB VAL 8 -1.681 2.078 0.901 60 HG11 VAL 8 HG11 VAL 8 0.218 3.556 0.331 61 HG12 VAL 8 HG12 VAL 8 0.677 1.860 0.158 62 HG13 VAL 8 HG13 VAL 8 1.214 2.773 1.571 63 HG21 VAL 8 HG21 VAL 8 -1.568 0.533 2.845 64 HG22 VAL 8 HG22 VAL 8 0.149 0.903 3.030 65 HG23 VAL 8 HG23 VAL 8 -0.427 0.085 1.577 66 H ALA 9 HN ALA 9 -3.345 4.236 1.447 67 HA ALA 9 HA ALA 9 -2.244 6.446 0.080 68 HB1 ALA 9 HB1 ALA 9 -5.150 5.938 0.868 69 HB2 ALA 9 HB2 ALA 9 -4.370 5.396 -0.619 70 HB3 ALA 9 HB3 ALA 9 -4.602 7.120 -0.325 71 H THR 10 HN THR 10 -3.919 6.113 3.194 72 HA THR 10 HA THR 10 -3.860 8.797 4.045 73 HB THR 10 HB THR 10 -3.726 6.288 5.785 74 HG1 THR 10 HG1 THR 10 -5.628 6.065 4.836 75 HG21 THR 10 HG21 THR 10 -4.741 7.678 7.562 76 HG22 THR 10 HG22 THR 10 -4.658 9.096 6.515 77 HG23 THR 10 HG23 THR 10 -3.174 8.332 7.091 78 H ILE 11 HN ILE 11 -1.499 6.140 4.533 79 HA ILE 11 HA ILE 11 0.431 7.461 6.058 80 HB ILE 11 HB ILE 11 0.602 5.126 4.115 81 HG12 ILE 11 HG12 ILE 11 0.793 5.198 7.163 82 HG13 ILE 11 HG11 ILE 11 -0.670 4.832 6.263 83 HG21 ILE 11 HG21 ILE 11 2.832 6.122 4.092 84 HG22 ILE 11 HG22 ILE 11 2.861 4.590 4.967 85 HG23 ILE 11 HG23 ILE 11 2.875 6.113 5.858 86 HD11 ILE 11 HD11 ILE 11 0.356 2.821 7.124 87 HD12 ILE 11 HD12 ILE 11 1.857 3.179 6.271 88 HD13 ILE 11 HD13 ILE 11 0.385 2.816 5.363 89 H ILE 12 HN ILE 12 0.200 7.138 2.509 90 HA ILE 12 HA ILE 12 2.423 8.612 1.726 91 HB ILE 12 HB ILE 12 -0.254 8.065 0.385 92 HG12 ILE 12 HG12 ILE 12 2.553 6.994 -0.127 93 HG13 ILE 12 HG11 ILE 12 1.246 6.129 0.668 94 HG21 ILE 12 HG21 ILE 12 0.661 8.900 -1.766 95 HG22 ILE 12 HG22 ILE 12 2.066 9.534 -0.909 96 HG23 ILE 12 HG23 ILE 12 0.463 10.186 -0.573 97 HD11 ILE 12 HD11 ILE 12 1.332 6.965 -2.226 98 HD12 ILE 12 HD12 ILE 12 -0.010 6.131 -1.439 99 HD13 ILE 12 HD13 ILE 12 1.559 5.340 -1.582 100 H ALA 13 HN ALA 13 -0.959 9.684 2.124 101 HA ALA 13 HA ALA 13 -0.746 12.377 1.644 102 HB1 ALA 13 HB1 ALA 13 -2.790 12.623 2.992 103 HB2 ALA 13 HB2 ALA 13 -2.530 11.015 3.677 104 HB3 ALA 13 HB3 ALA 13 -2.867 11.194 1.951 105 H GLU 14 HN GLU 14 -0.224 10.746 4.775 106 HA GLU 14 HA GLU 14 0.338 13.001 6.362 107 HB2 GLU 14 HB2 GLU 14 1.300 10.125 6.655 108 HB3 GLU 14 HB1 GLU 14 1.425 11.351 7.916 109 HG2 GLU 14 HG2 GLU 14 -1.171 10.316 6.733 110 HG3 GLU 14 HG1 GLU 14 -0.468 9.779 8.253 111 H THR 15 HN THR 15 2.375 11.108 4.188 112 HA THR 15 HA THR 15 4.877 12.248 5.133 113 HB THR 15 HB THR 15 4.337 10.379 2.779 114 HG1 THR 15 HG1 THR 15 3.766 9.485 4.824 115 HG21 THR 15 HG21 THR 15 6.737 9.803 2.938 116 HG22 THR 15 HG22 THR 15 6.955 11.004 4.211 117 HG23 THR 15 HG23 THR 15 6.535 11.520 2.575 118 H CYS 16 HN CYS 16 2.555 12.957 2.529 119 HA CYS 16 HA CYS 16 4.647 14.360 0.964 120 HB2 CYS 16 HB2 CYS 16 2.227 12.849 -0.099 121 HB3 CYS 16 HB1 CYS 16 3.425 13.704 -1.075 122 HG CYS 16 HG CYS 16 3.700 10.754 0.560 123 H ASP 17 HN ASP 17 2.131 14.966 2.939 124 HA ASP 17 HA ASP 17 0.471 16.443 3.252 125 HB2 ASP 17 HB2 ASP 17 2.568 17.815 3.419 126 HB3 ASP 17 HB1 ASP 17 2.344 18.309 1.746 127 H ILE 18 HN ILE 18 -0.848 15.121 1.761 128 HA ILE 18 HA ILE 18 -2.103 16.721 -0.352 129 HB ILE 18 HB ILE 18 -2.182 14.650 -1.888 130 HG12 ILE 18 HG12 ILE 18 0.093 13.716 -0.076 131 HG13 ILE 18 HG11 ILE 18 -1.475 12.941 -0.256 132 HG21 ILE 18 HG21 ILE 18 0.546 15.937 -1.519 133 HG22 ILE 18 HG22 ILE 18 -0.794 16.583 -2.471 134 HG23 ILE 18 HG23 ILE 18 -0.012 15.081 -2.963 135 HD11 ILE 18 HD11 ILE 18 0.682 13.141 -2.347 136 HD12 ILE 18 HD12 ILE 18 -0.912 12.432 -2.605 137 HD13 ILE 18 HD13 ILE 18 0.198 11.710 -1.445 138 HA PRO 19 HA PRO 19 -5.766 14.667 1.415 139 HB2 PRO 19 HB2 PRO 19 -7.192 14.775 -1.195 140 HB3 PRO 19 HB1 PRO 19 -7.525 15.667 0.293 141 HG2 PRO 19 HG2 PRO 19 -6.538 16.888 -1.922 142 HG3 PRO 19 HG1 PRO 19 -6.120 17.427 -0.281 143 HD2 PRO 19 HD2 PRO 19 -4.506 15.688 -2.165 144 HD3 PRO 19 HD1 PRO 19 -3.976 17.067 -1.171 145 H ARG 20 HN ARG 20 -5.932 12.477 1.798 146 HA ARG 20 HA ARG 20 -4.522 10.604 0.215 147 HB2 ARG 20 HB2 ARG 20 -5.008 9.015 1.910 148 HB3 ARG 20 HB1 ARG 20 -4.846 10.553 2.722 149 HG2 ARG 20 HG2 ARG 20 -6.711 9.888 3.841 150 HG3 ARG 20 HG1 ARG 20 -7.561 10.495 2.420 151 HD2 ARG 20 HD2 ARG 20 -7.578 8.209 1.472 152 HD3 ARG 20 HD1 ARG 20 -6.731 7.607 2.897 153 HE ARG 20 HE ARG 20 -8.714 8.276 4.213 154 HH11 ARG 20 HH11 ARG 20 -9.153 7.771 0.761 155 HH12 ARG 20 HH12 ARG 20 -10.821 7.345 0.915 156 HH21 ARG 20 HH21 ARG 20 -10.885 7.671 4.397 157 HH22 ARG 20 HH22 ARG 20 -11.806 7.293 2.978 158 H GLU 21 HN GLU 21 -7.784 11.619 0.059 159 HA GLU 21 HA GLU 21 -8.881 9.130 -0.999 160 HB2 GLU 21 HB2 GLU 21 -11.050 10.506 -1.158 161 HB3 GLU 21 HB1 GLU 21 -10.433 10.174 0.449 162 HG2 GLU 21 HG2 GLU 21 -9.706 12.793 -0.857 163 HG3 GLU 21 HG1 GLU 21 -11.334 12.592 -0.218 164 H THR 22 HN THR 22 -7.353 11.926 -2.267 165 HA THR 22 HA THR 22 -8.527 11.724 -4.935 166 HB THR 22 HB THR 22 -6.851 13.394 -5.629 167 HG1 THR 22 HG1 THR 22 -5.810 13.712 -3.066 168 HG21 THR 22 HG21 THR 22 -8.059 14.147 -2.940 169 HG22 THR 22 HG22 THR 22 -8.868 14.277 -4.505 170 HG23 THR 22 HG23 THR 22 -7.456 15.276 -4.157 171 H ILE 23 HN ILE 23 -6.057 10.112 -3.127 172 HA ILE 23 HA ILE 23 -4.413 9.259 -5.355 173 HB ILE 23 HB ILE 23 -4.537 8.388 -2.419 174 HG12 ILE 23 HG12 ILE 23 -2.116 9.206 -2.408 175 HG13 ILE 23 HG11 ILE 23 -2.366 9.801 -4.041 176 HG21 ILE 23 HG21 ILE 23 -4.066 6.354 -3.693 177 HG22 ILE 23 HG22 ILE 23 -2.613 6.869 -2.837 178 HG23 ILE 23 HG23 ILE 23 -2.765 7.168 -4.570 179 HD11 ILE 23 HD11 ILE 23 -3.801 10.739 -1.570 180 HD12 ILE 23 HD12 ILE 23 -4.055 11.350 -3.207 181 HD13 ILE 23 HD13 ILE 23 -2.496 11.569 -2.418 182 H THR 24 HN THR 24 -5.139 7.810 -6.776 183 HA THR 24 HA THR 24 -7.441 6.073 -6.226 184 HB THR 24 HB THR 24 -7.328 5.646 -8.723 185 HG1 THR 24 HG1 THR 24 -5.812 7.462 -9.681 186 HG21 THR 24 HG21 THR 24 -7.358 8.600 -7.961 187 HG22 THR 24 HG22 THR 24 -8.740 7.501 -7.883 188 HG23 THR 24 HG23 THR 24 -8.026 7.911 -9.445 189 HA PRO 25 HA PRO 25 -5.019 2.266 -5.769 190 HB2 PRO 25 HB2 PRO 25 -6.792 0.963 -7.830 191 HB3 PRO 25 HB1 PRO 25 -6.403 0.444 -6.182 192 HG2 PRO 25 HG2 PRO 25 -8.785 1.515 -6.702 193 HG3 PRO 25 HG1 PRO 25 -7.924 1.940 -5.206 194 HD2 PRO 25 HD2 PRO 25 -8.178 3.546 -7.762 195 HD3 PRO 25 HD1 PRO 25 -8.301 4.088 -6.071 196 H GLU 26 HN GLU 26 -5.453 3.706 -8.911 197 HA GLU 26 HA GLU 26 -3.466 1.985 -10.224 198 HB2 GLU 26 HB2 GLU 26 -4.157 3.164 -12.302 199 HB3 GLU 26 HB1 GLU 26 -5.521 2.410 -11.480 200 HG2 GLU 26 HG2 GLU 26 -6.141 4.614 -10.525 201 HG3 GLU 26 HG1 GLU 26 -4.809 5.360 -11.407 202 H SER 27 HN SER 27 -3.250 4.519 -8.199 203 HA SER 27 HA SER 27 -1.575 6.377 -9.631 204 HB2 SER 27 HB2 SER 27 -1.931 6.008 -6.613 205 HB3 SER 27 HB1 SER 27 -1.144 7.384 -7.397 206 HG SER 27 HG SER 27 -3.757 6.703 -8.156 207 H HIS 28 HN HIS 28 0.494 5.974 -10.182 208 HA HIS 28 HA HIS 28 2.123 4.000 -8.790 209 HB2 HIS 28 HB2 HIS 28 2.280 4.444 -11.308 210 HB3 HIS 28 HB1 HIS 28 3.033 5.992 -10.926 211 HD2 HIS 28 HD2 HIS 28 3.934 2.333 -11.339 212 HE1 HIS 28 HE1 HIS 28 7.302 4.213 -9.660 213 HE2 HIS 28 HE2 HIS 28 6.486 2.255 -11.017 214 H ALA 29 HN ALA 29 3.114 4.572 -6.927 215 HA ALA 29 HA ALA 29 3.095 6.907 -5.572 216 HB1 ALA 29 HB1 ALA 29 4.969 6.023 -4.243 217 HB2 ALA 29 HB2 ALA 29 5.320 4.843 -5.513 218 HB3 ALA 29 HB3 ALA 29 3.799 4.757 -4.623 219 H ILE 30 HN ILE 30 5.490 6.044 -8.090 220 HA ILE 30 HA ILE 30 7.208 8.316 -7.270 221 HB ILE 30 HB ILE 30 7.862 5.944 -9.080 222 HG12 ILE 30 HG12 ILE 30 8.739 6.538 -6.212 223 HG13 ILE 30 HG11 ILE 30 7.602 5.286 -6.698 224 HG21 ILE 30 HG21 ILE 30 9.714 8.148 -8.092 225 HG22 ILE 30 HG22 ILE 30 9.153 7.929 -9.751 226 HG23 ILE 30 HG23 ILE 30 10.209 6.725 -9.013 227 HD11 ILE 30 HD11 ILE 30 10.544 5.377 -7.377 228 HD12 ILE 30 HD12 ILE 30 9.408 4.122 -7.885 229 HD13 ILE 30 HD13 ILE 30 9.765 4.348 -6.173 230 H ASP 31 HN ASP 31 5.603 6.865 -10.108 231 HA ASP 31 HA ASP 31 6.539 8.939 -11.918 232 HB2 ASP 31 HB2 ASP 31 6.386 6.532 -12.620 233 HB3 ASP 31 HB1 ASP 31 4.631 6.623 -12.490 234 H ASP 32 HN ASP 32 3.505 8.082 -10.308 235 HA ASP 32 HA ASP 32 1.966 10.109 -11.787 236 HB2 ASP 32 HB2 ASP 32 0.959 7.872 -11.479 237 HB3 ASP 32 HB1 ASP 32 1.087 8.022 -9.736 238 H LEU 33 HN LEU 33 2.610 9.219 -8.371 239 HA LEU 33 HA LEU 33 1.519 11.704 -7.354 240 HB2 LEU 33 HB2 LEU 33 2.886 9.408 -5.907 241 HB3 LEU 33 HB1 LEU 33 2.062 10.748 -5.123 242 HG LEU 33 HG LEU 33 0.726 8.640 -6.883 243 HD11 LEU 33 HD11 LEU 33 -0.309 7.822 -4.816 244 HD12 LEU 33 HD12 LEU 33 0.616 8.989 -3.868 245 HD13 LEU 33 HD13 LEU 33 1.445 7.700 -4.746 246 HD21 LEU 33 HD21 LEU 33 -0.529 10.920 -5.312 247 HD22 LEU 33 HD22 LEU 33 -1.410 9.643 -6.161 248 HD23 LEU 33 HD23 LEU 33 -0.429 10.789 -7.071 249 H GLY 34 HN GLY 34 4.584 10.750 -8.479 250 HA2 GLY 34 HA2 GLY 34 6.614 11.824 -8.550 251 HA3 GLY 34 HA1 GLY 34 5.807 13.245 -7.916 252 H ILE 35 HN ILE 35 6.052 10.122 -6.285 253 HA ILE 35 HA ILE 35 7.338 11.333 -3.939 254 HB ILE 35 HB ILE 35 6.219 8.524 -4.436 255 HG12 ILE 35 HG12 ILE 35 5.111 10.766 -2.701 256 HG13 ILE 35 HG11 ILE 35 4.500 10.341 -4.296 257 HG21 ILE 35 HG21 ILE 35 8.041 8.383 -2.787 258 HG22 ILE 35 HG22 ILE 35 6.480 8.086 -2.022 259 HG23 ILE 35 HG23 ILE 35 7.278 9.645 -1.819 260 HD11 ILE 35 HD11 ILE 35 4.435 8.585 -1.837 261 HD12 ILE 35 HD12 ILE 35 3.842 8.128 -3.437 262 HD13 ILE 35 HD13 ILE 35 3.080 9.451 -2.555 263 H ASP 36 HN ASP 36 9.544 11.243 -3.716 264 HA ASP 36 HA ASP 36 11.228 9.684 -5.429 265 HB2 ASP 36 HB2 ASP 36 11.774 11.935 -4.233 266 HB3 ASP 36 HB1 ASP 36 12.086 10.971 -2.799 267 H SER 37 HN SER 37 12.740 8.040 -4.650 268 HA SER 37 HA SER 37 11.501 5.921 -3.271 269 HB2 SER 37 HB2 SER 37 14.454 6.312 -3.888 270 HB3 SER 37 HB1 SER 37 13.679 4.781 -3.462 271 HG SER 37 HG SER 37 13.122 6.380 -5.746 272 H LEU 38 HN LEU 38 13.449 8.610 -2.103 273 HA LEU 38 HA LEU 38 14.165 7.398 0.416 274 HB2 LEU 38 HB2 LEU 38 15.066 9.613 1.019 275 HB3 LEU 38 HB1 LEU 38 15.662 9.043 -0.522 276 HG LEU 38 HG LEU 38 13.728 10.634 -1.498 277 HD11 LEU 38 HD11 LEU 38 14.290 12.011 1.145 278 HD12 LEU 38 HD12 LEU 38 12.754 11.306 0.636 279 HD13 LEU 38 HD13 LEU 38 13.408 12.696 -0.226 280 HD21 LEU 38 HD21 LEU 38 16.102 10.879 -2.030 281 HD22 LEU 38 HD22 LEU 38 16.383 11.728 -0.509 282 HD23 LEU 38 HD23 LEU 38 15.362 12.456 -1.753 283 H ASP 39 HN ASP 39 11.610 9.551 -0.782 284 HA ASP 39 HA ASP 39 10.268 9.935 1.715 285 HB2 ASP 39 HB2 ASP 39 9.210 10.050 -1.148 286 HB3 ASP 39 HB1 ASP 39 8.264 10.510 0.263 287 H PHE 40 HN PHE 40 10.138 7.484 -0.848 288 HA PHE 40 HA PHE 40 7.786 6.135 0.018 289 HB2 PHE 40 HB2 PHE 40 8.849 6.002 -2.323 290 HB3 PHE 40 HB1 PHE 40 10.045 4.908 -1.634 291 HD1 PHE 40 HD1 PHE 40 6.454 5.323 -2.455 292 HD2 PHE 40 HD2 PHE 40 9.461 2.578 -1.129 293 HE1 PHE 40 HE1 PHE 40 4.902 3.450 -2.787 294 HE2 PHE 40 HE2 PHE 40 7.895 0.709 -1.473 295 HZ PHE 40 HZ PHE 40 5.618 1.141 -2.303 296 H LEU 41 HN LEU 41 11.162 5.995 1.009 297 HA LEU 41 HA LEU 41 11.141 3.610 2.528 298 HB2 LEU 41 HB2 LEU 41 12.664 6.199 3.010 299 HB3 LEU 41 HB1 LEU 41 12.977 4.697 3.869 300 HG LEU 41 HG LEU 41 13.386 5.174 0.891 301 HD11 LEU 41 HD11 LEU 41 15.068 6.286 2.242 302 HD12 LEU 41 HD12 LEU 41 15.766 4.923 1.375 303 HD13 LEU 41 HD13 LEU 41 15.415 4.779 3.100 304 HD21 LEU 41 HD21 LEU 41 12.674 2.873 1.246 305 HD22 LEU 41 HD22 LEU 41 13.892 2.656 2.505 306 HD23 LEU 41 HD23 LEU 41 14.387 2.916 0.829 307 H ASP 42 HN ASP 42 10.034 6.907 3.288 308 HA ASP 42 HA ASP 42 9.355 6.439 6.041 309 HB2 ASP 42 HB2 ASP 42 8.202 8.552 4.161 310 HB3 ASP 42 HB1 ASP 42 8.085 8.560 5.921 311 H ILE 43 HN ILE 43 7.543 6.285 2.969 312 HA ILE 43 HA ILE 43 5.013 5.609 4.022 313 HB ILE 43 HB ILE 43 6.243 5.045 1.295 314 HG12 ILE 43 HG12 ILE 43 4.214 6.505 0.563 315 HG13 ILE 43 HG11 ILE 43 4.005 6.872 2.268 316 HG21 ILE 43 HG21 ILE 43 3.467 4.136 2.130 317 HG22 ILE 43 HG22 ILE 43 4.822 3.098 1.677 318 HG23 ILE 43 HG23 ILE 43 4.078 4.150 0.473 319 HD11 ILE 43 HD11 ILE 43 6.231 7.879 2.289 320 HD12 ILE 43 HD12 ILE 43 5.139 8.630 1.125 321 HD13 ILE 43 HD13 ILE 43 6.392 7.522 0.567 322 H ALA 44 HN ALA 44 7.795 3.550 3.135 323 HA ALA 44 HA ALA 44 6.489 1.046 3.457 324 HB1 ALA 44 HB1 ALA 44 8.773 0.114 3.245 325 HB2 ALA 44 HB2 ALA 44 9.456 1.736 3.425 326 HB3 ALA 44 HB3 ALA 44 8.468 1.344 2.018 327 H PHE 45 HN PHE 45 8.544 3.054 5.486 328 HA PHE 45 HA PHE 45 8.918 1.471 7.744 329 HB2 PHE 45 HB2 PHE 45 10.045 3.657 7.182 330 HB3 PHE 45 HB1 PHE 45 8.572 4.502 7.627 331 HD1 PHE 45 HD1 PHE 45 11.334 2.375 8.962 332 HD2 PHE 45 HD2 PHE 45 8.147 5.068 9.924 333 HE1 PHE 45 HE1 PHE 45 12.176 2.561 11.262 334 HE2 PHE 45 HE2 PHE 45 8.998 5.245 12.224 335 HZ PHE 45 HZ PHE 45 11.014 3.998 12.893 336 H ALA 46 HN ALA 46 6.311 3.844 7.078 337 HA ALA 46 HA ALA 46 4.962 3.465 9.567 338 HB1 ALA 46 HB1 ALA 46 4.701 5.520 8.271 339 HB2 ALA 46 HB2 ALA 46 3.133 4.770 8.569 340 HB3 ALA 46 HB3 ALA 46 3.899 4.630 6.982 341 H ILE 47 HN ILE 47 4.677 1.925 6.401 342 HA ILE 47 HA ILE 47 2.321 0.393 6.837 343 HB ILE 47 HB ILE 47 4.737 -0.051 5.026 344 HG12 ILE 47 HG12 ILE 47 1.895 0.764 4.266 345 HG13 ILE 47 HG11 ILE 47 3.184 1.924 4.564 346 HG21 ILE 47 HG21 ILE 47 3.756 -2.262 5.479 347 HG22 ILE 47 HG22 ILE 47 3.435 -1.772 3.817 348 HG23 ILE 47 HG23 ILE 47 2.156 -1.664 5.025 349 HD11 ILE 47 HD11 ILE 47 2.803 1.496 2.175 350 HD12 ILE 47 HD12 ILE 47 3.242 -0.194 2.413 351 HD13 ILE 47 HD13 ILE 47 4.439 1.074 2.678 352 H ASP 48 HN ASP 48 5.751 -0.285 7.372 353 HA ASP 48 HA ASP 48 5.753 -2.932 8.179 354 HB2 ASP 48 HB2 ASP 48 7.762 -1.561 7.727 355 HB3 ASP 48 HB1 ASP 48 7.465 -0.603 9.164 356 H LYS 49 HN LYS 49 5.352 -0.018 10.193 357 HA LYS 49 HA LYS 49 4.962 -1.517 12.627 358 HB2 LYS 49 HB2 LYS 49 4.794 1.454 12.015 359 HB3 LYS 49 HB1 LYS 49 4.338 0.808 13.587 360 HG2 LYS 49 HG2 LYS 49 6.577 1.541 13.840 361 HG3 LYS 49 HG1 LYS 49 6.659 -0.220 13.734 362 HD2 LYS 49 HD2 LYS 49 7.243 0.045 11.278 363 HD3 LYS 49 HD1 LYS 49 7.334 1.787 11.541 364 HE2 LYS 49 HE2 LYS 49 9.570 0.894 11.606 365 HE3 LYS 49 HE1 LYS 49 9.137 1.352 13.257 366 HZ1 LYS 49 HZ1 LYS 49 9.014 -1.396 12.140 367 HZ2 LYS 49 HZ2 LYS 49 8.643 -0.956 13.730 368 HZ3 LYS 49 HZ3 LYS 49 10.222 -0.809 13.157 369 H ALA 50 HN ALA 50 2.749 0.390 10.513 370 HA ALA 50 HA ALA 50 0.452 0.186 12.113 371 HB1 ALA 50 HB1 ALA 50 0.678 1.827 10.279 372 HB2 ALA 50 HB2 ALA 50 -0.813 0.896 10.120 373 HB3 ALA 50 HB3 ALA 50 0.574 0.527 9.089 374 H PHE 51 HN PHE 51 1.422 -1.808 9.317 375 HA PHE 51 HA PHE 51 -0.808 -3.663 9.678 376 HB2 PHE 51 HB2 PHE 51 1.455 -3.619 7.634 377 HB3 PHE 51 HB1 PHE 51 0.133 -4.783 7.633 378 HD1 PHE 51 HD1 PHE 51 -2.172 -4.077 7.050 379 HD2 PHE 51 HD2 PHE 51 1.089 -1.310 6.884 380 HE1 PHE 51 HE1 PHE 51 -3.523 -2.543 5.682 381 HE2 PHE 51 HE2 PHE 51 -0.268 0.207 5.513 382 HZ PHE 51 HZ PHE 51 -2.570 -0.409 4.910 383 H GLY 52 HN GLY 52 2.224 -3.365 11.067 384 HA2 GLY 52 HA2 GLY 52 3.393 -4.698 12.520 385 HA3 GLY 52 HA1 GLY 52 1.989 -5.757 12.552 386 H ILE 53 HN ILE 53 3.946 -4.912 9.772 387 HA ILE 53 HA ILE 53 4.876 -7.708 9.433 388 HB ILE 53 HB ILE 53 4.590 -7.449 6.968 389 HG12 ILE 53 HG12 ILE 53 3.013 -4.894 7.544 390 HG13 ILE 53 HG11 ILE 53 4.675 -4.883 6.971 391 HG21 ILE 53 HG21 ILE 53 2.133 -7.697 6.867 392 HG22 ILE 53 HG22 ILE 53 1.997 -7.048 8.503 393 HG23 ILE 53 HG23 ILE 53 2.821 -8.585 8.231 394 HD11 ILE 53 HD11 ILE 53 3.136 -4.500 5.176 395 HD12 ILE 53 HD12 ILE 53 2.281 -5.999 5.531 396 HD13 ILE 53 HD13 ILE 53 3.944 -6.045 4.938 397 H LYS 54 HN LYS 54 6.622 -7.615 7.533 398 HA LYS 54 HA LYS 54 8.175 -5.102 7.602 399 HB2 LYS 54 HB2 LYS 54 9.356 -6.871 8.946 400 HB3 LYS 54 HB1 LYS 54 9.398 -7.907 7.521 401 HG2 LYS 54 HG2 LYS 54 10.760 -6.159 6.339 402 HG3 LYS 54 HG1 LYS 54 10.750 -5.193 7.817 403 HD2 LYS 54 HD2 LYS 54 12.859 -6.389 7.624 404 HD3 LYS 54 HD1 LYS 54 11.954 -7.023 9.001 405 HE2 LYS 54 HE2 LYS 54 11.291 -8.982 7.707 406 HE3 LYS 54 HE1 LYS 54 12.030 -8.317 6.249 407 HZ1 LYS 54 HZ1 LYS 54 13.434 -9.958 7.241 408 HZ2 LYS 54 HZ2 LYS 54 13.452 -9.130 8.717 409 HZ3 LYS 54 HZ3 LYS 54 14.178 -8.444 7.352 410 H LEU 55 HN LEU 55 8.393 -4.268 5.617 411 HA LEU 55 HA LEU 55 7.675 -5.770 3.248 412 HB2 LEU 55 HB2 LEU 55 8.800 -2.951 3.472 413 HB3 LEU 55 HB1 LEU 55 8.124 -3.680 2.019 414 HG LEU 55 HG LEU 55 6.633 -2.801 4.529 415 HD11 LEU 55 HD11 LEU 55 6.296 -1.960 1.632 416 HD12 LEU 55 HD12 LEU 55 7.130 -1.040 2.883 417 HD13 LEU 55 HD13 LEU 55 5.404 -1.340 3.025 418 HD21 LEU 55 HD21 LEU 55 5.508 -4.417 2.217 419 HD22 LEU 55 HD22 LEU 55 4.558 -3.652 3.494 420 HD23 LEU 55 HD23 LEU 55 5.683 -4.946 3.891 421 HA PRO 56 HA PRO 56 12.086 -6.738 2.284 422 HB2 PRO 56 HB2 PRO 56 10.924 -7.976 -0.167 423 HB3 PRO 56 HB1 PRO 56 11.905 -8.721 1.098 424 HG2 PRO 56 HG2 PRO 56 9.286 -9.303 0.854 425 HG3 PRO 56 HG1 PRO 56 10.065 -9.189 2.449 426 HD2 PRO 56 HD2 PRO 56 8.388 -7.104 1.020 427 HD3 PRO 56 HD1 PRO 56 8.282 -7.677 2.705 428 H LEU 57 HN LEU 57 11.585 -4.192 2.001 429 HA LEU 57 HA LEU 57 10.903 -3.088 -0.496 430 HB2 LEU 57 HB2 LEU 57 10.893 -1.954 1.811 431 HB3 LEU 57 HB1 LEU 57 12.625 -1.778 1.663 432 HG LEU 57 HG LEU 57 11.267 0.313 1.189 433 HD11 LEU 57 HD11 LEU 57 13.574 0.151 0.379 434 HD12 LEU 57 HD12 LEU 57 12.562 1.115 -0.693 435 HD13 LEU 57 HD13 LEU 57 13.000 -0.537 -1.144 436 HD21 LEU 57 HD21 LEU 57 10.105 0.545 -0.953 437 HD22 LEU 57 HD22 LEU 57 9.384 -0.724 0.036 438 HD23 LEU 57 HD23 LEU 57 10.422 -1.154 -1.328 439 H GLU 58 HN GLU 58 14.013 -3.928 0.975 440 HA GLU 58 HA GLU 58 15.789 -2.955 -0.949 441 HB2 GLU 58 HB2 GLU 58 17.403 -4.619 -0.071 442 HB3 GLU 58 HB1 GLU 58 16.551 -3.809 1.236 443 HG2 GLU 58 HG2 GLU 58 15.119 -5.766 1.570 444 HG3 GLU 58 HG1 GLU 58 15.855 -6.576 0.192 445 H LYS 59 HN LYS 59 14.079 -6.074 -0.798 446 HA LYS 59 HA LYS 59 15.217 -7.268 -3.102 447 HB2 LYS 59 HB2 LYS 59 14.169 -8.550 -1.272 448 HB3 LYS 59 HB1 LYS 59 12.606 -7.847 -1.644 449 HG2 LYS 59 HG2 LYS 59 12.705 -10.108 -2.510 450 HG3 LYS 59 HG1 LYS 59 12.627 -8.973 -3.859 451 HD2 LYS 59 HD2 LYS 59 14.242 -10.781 -4.321 452 HD3 LYS 59 HD1 LYS 59 15.067 -9.226 -4.229 453 HE2 LYS 59 HE2 LYS 59 15.799 -9.768 -1.918 454 HE3 LYS 59 HE1 LYS 59 14.970 -11.322 -2.026 455 HZ1 LYS 59 HZ1 LYS 59 16.438 -11.985 -3.767 456 HZ2 LYS 59 HZ2 LYS 59 17.361 -11.449 -2.456 457 HZ3 LYS 59 HZ3 LYS 59 17.168 -10.464 -3.812 458 H TRP 60 HN TRP 60 12.209 -5.471 -2.534 459 HA TRP 60 HA TRP 60 10.901 -5.908 -4.972 460 HB2 TRP 60 HB2 TRP 60 10.790 -3.521 -3.084 461 HB3 TRP 60 HB1 TRP 60 9.672 -3.762 -4.425 462 HD1 TRP 60 HD1 TRP 60 10.015 -7.129 -3.089 463 HE1 TRP 60 HE1 TRP 60 8.162 -7.646 -1.396 464 HE3 TRP 60 HE3 TRP 60 8.348 -2.379 -2.251 465 HZ2 TRP 60 HZ2 TRP 60 6.230 -6.239 0.088 466 HZ3 TRP 60 HZ3 TRP 60 6.485 -2.045 -0.685 467 HH2 TRP 60 HH2 TRP 60 5.449 -3.940 0.456 468 H THR 61 HN THR 61 12.964 -3.223 -3.929 469 HA THR 61 HA THR 61 12.902 -1.828 -6.422 470 HB THR 61 HB THR 61 14.908 -1.427 -4.156 471 HG1 THR 61 HG1 THR 61 13.047 -1.143 -3.092 472 HG21 THR 61 HG21 THR 61 13.780 0.513 -6.216 473 HG22 THR 61 HG22 THR 61 15.419 -0.142 -6.209 474 HG23 THR 61 HG23 THR 61 14.899 0.934 -4.912 475 H GLN 62 HN GLN 62 14.882 -4.418 -5.108 476 HA GLN 62 HA GLN 62 17.188 -4.146 -6.768 477 HB2 GLN 62 HB2 GLN 62 17.243 -5.387 -4.670 478 HB3 GLN 62 HB1 GLN 62 15.992 -6.486 -5.229 479 HG2 GLN 62 HG2 GLN 62 17.578 -7.357 -6.953 480 HG3 GLN 62 HG1 GLN 62 18.834 -6.310 -6.286 481 HE21 GLN 62 HE21 GLN 62 19.662 -6.787 -4.199 482 HE22 GLN 62 HE22 GLN 62 19.468 -8.349 -3.488 483 H GLU 63 HN GLU 63 14.253 -6.193 -6.922 484 HA GLU 63 HA GLU 63 14.775 -7.563 -9.315 485 HB2 GLU 63 HB2 GLU 63 12.035 -6.716 -8.282 486 HB3 GLU 63 HB1 GLU 63 12.367 -8.030 -9.413 487 HG2 GLU 63 HG2 GLU 63 13.104 -7.913 -6.474 488 HG3 GLU 63 HG1 GLU 63 11.872 -8.925 -7.212 489 H VAL 64 HN VAL 64 13.159 -4.514 -8.688 490 HA VAL 64 HA VAL 64 12.346 -3.807 -11.271 491 HB VAL 64 HB VAL 64 13.122 -2.110 -8.870 492 HG11 VAL 64 HG11 VAL 64 11.812 -1.202 -11.452 493 HG12 VAL 64 HG12 VAL 64 13.405 -0.717 -10.860 494 HG13 VAL 64 HG13 VAL 64 11.953 -0.223 -9.989 495 HG21 VAL 64 HG21 VAL 64 10.399 -2.849 -10.003 496 HG22 VAL 64 HG22 VAL 64 10.684 -1.841 -8.580 497 HG23 VAL 64 HG23 VAL 64 11.131 -3.550 -8.558 498 H ASN 65 HN ASN 65 15.318 -2.828 -9.513 499 HA ASN 65 HA ASN 65 16.523 -1.372 -11.603 500 HB2 ASN 65 HB2 ASN 65 17.777 -2.693 -9.154 501 HB3 ASN 65 HB1 ASN 65 18.651 -1.604 -10.229 502 HD21 ASN 65 HD21 ASN 65 18.098 -1.320 -7.391 503 HD22 ASN 65 HD22 ASN 65 17.233 0.161 -7.208 504 H ASP 66 HN ASP 66 16.671 -4.839 -10.816 505 HA ASP 66 HA ASP 66 18.820 -5.374 -12.695 506 HB2 ASP 66 HB2 ASP 66 18.448 -6.490 -10.381 507 HB3 ASP 66 HB1 ASP 66 17.173 -7.426 -11.153 508 H GLY 67 HN GLY 67 15.696 -4.661 -13.252 509 HA2 GLY 67 HA2 GLY 67 14.293 -4.911 -15.028 510 HA3 GLY 67 HA1 GLY 67 15.659 -5.610 -15.881 511 H LYS 68 HN LYS 68 14.511 -7.162 -12.986 512 HA LYS 68 HA LYS 68 13.423 -9.422 -14.496 513 HB2 LYS 68 HB2 LYS 68 13.973 -9.005 -11.535 514 HB3 LYS 68 HB1 LYS 68 13.261 -10.479 -12.194 515 HG2 LYS 68 HG2 LYS 68 15.284 -10.886 -13.530 516 HG3 LYS 68 HG1 LYS 68 16.006 -9.389 -12.933 517 HD2 LYS 68 HD2 LYS 68 15.212 -11.743 -11.166 518 HD3 LYS 68 HD1 LYS 68 16.843 -11.468 -11.786 519 HE2 LYS 68 HE2 LYS 68 17.031 -9.396 -10.523 520 HE3 LYS 68 HE1 LYS 68 15.335 -9.487 -10.047 521 HZ1 LYS 68 HZ1 LYS 68 17.494 -11.328 -9.225 522 HZ2 LYS 68 HZ2 LYS 68 15.858 -11.537 -8.858 523 HZ3 LYS 68 HZ3 LYS 68 16.691 -10.193 -8.263 524 H ALA 69 HN ALA 69 12.342 -6.705 -12.595 525 HA ALA 69 HA ALA 69 9.527 -7.394 -13.122 526 HB1 ALA 69 HB1 ALA 69 9.946 -8.125 -10.791 527 HB2 ALA 69 HB2 ALA 69 8.867 -6.731 -10.831 528 HB3 ALA 69 HB3 ALA 69 10.564 -6.522 -10.382 529 H THR 70 HN THR 70 8.203 -5.519 -13.254 530 HA THR 70 HA THR 70 9.576 -3.096 -14.096 531 HB THR 70 HB THR 70 6.545 -3.452 -13.881 532 HG1 THR 70 HG1 THR 70 8.361 -4.660 -15.645 533 HG21 THR 70 HG21 THR 70 6.500 -1.941 -15.838 534 HG22 THR 70 HG22 THR 70 8.265 -1.870 -15.844 535 HG23 THR 70 HG23 THR 70 7.357 -1.176 -14.495 536 H THR 71 HN THR 71 9.126 -0.977 -13.171 537 HA THR 71 HA THR 71 9.213 -0.634 -10.426 538 HB THR 71 HB THR 71 8.375 1.765 -10.984 539 HG1 THR 71 HG1 THR 71 8.519 2.053 -13.399 540 HG21 THR 71 HG21 THR 71 10.428 2.392 -12.218 541 HG22 THR 71 HG22 THR 71 10.742 0.692 -12.566 542 HG23 THR 71 HG23 THR 71 10.794 1.271 -10.900 543 H GLU 72 HN GLU 72 6.403 -0.360 -12.590 544 HA GLU 72 HA GLU 72 4.291 0.248 -11.076 545 HB2 GLU 72 HB2 GLU 72 4.098 -2.141 -12.962 546 HB3 GLU 72 HB1 GLU 72 2.847 -0.958 -12.590 547 HG2 GLU 72 HG2 GLU 72 5.300 -0.618 -14.321 548 HG3 GLU 72 HG1 GLU 72 3.611 -0.529 -14.804 549 H GLN 73 HN GLN 73 5.600 -3.002 -11.321 550 HA GLN 73 HA GLN 73 3.598 -4.475 -10.064 551 HB2 GLN 73 HB2 GLN 73 6.560 -5.111 -10.324 552 HB3 GLN 73 HB1 GLN 73 5.327 -6.285 -9.857 553 HG2 GLN 73 HG2 GLN 73 4.210 -6.011 -12.023 554 HG3 GLN 73 HG1 GLN 73 5.392 -4.787 -12.496 555 HE21 GLN 73 HE21 GLN 73 6.020 -6.004 -14.304 556 HE22 GLN 73 HE22 GLN 73 6.963 -7.448 -14.164 557 H TYR 74 HN TYR 74 6.088 -2.589 -8.514 558 HA TYR 74 HA TYR 74 5.171 -3.569 -5.867 559 HB2 TYR 74 HB2 TYR 74 7.885 -2.402 -6.610 560 HB3 TYR 74 HB1 TYR 74 7.406 -2.934 -5.001 561 HD1 TYR 74 HD2 TYR 74 6.542 -5.450 -4.871 562 HD2 TYR 74 HD1 TYR 74 9.089 -3.952 -7.950 563 HE1 TYR 74 HE2 TYR 74 7.305 -7.735 -5.349 564 HE2 TYR 74 HE1 TYR 74 9.849 -6.234 -8.435 565 HH TYR 74 HH TYR 74 10.022 -8.398 -7.320 566 H PHE 75 HN PHE 75 5.589 -0.677 -7.901 567 HA PHE 75 HA PHE 75 5.348 1.078 -5.533 568 HB2 PHE 75 HB2 PHE 75 6.575 1.643 -8.273 569 HB3 PHE 75 HB1 PHE 75 6.427 2.822 -6.975 570 HD1 PHE 75 HD1 PHE 75 7.612 2.215 -4.700 571 HD2 PHE 75 HD2 PHE 75 8.587 0.365 -8.435 572 HE1 PHE 75 HE1 PHE 75 9.812 1.555 -3.813 573 HE2 PHE 75 HE2 PHE 75 10.773 -0.306 -7.528 574 HZ PHE 75 HZ PHE 75 11.389 0.291 -5.221 575 H VAL 76 HN VAL 76 3.218 -0.202 -7.585 576 HA VAL 76 HA VAL 76 1.622 2.302 -7.837 577 HB VAL 76 HB VAL 76 1.084 -0.458 -9.047 578 HG11 VAL 76 HG11 VAL 76 -1.062 0.582 -8.399 579 HG12 VAL 76 HG12 VAL 76 -0.893 0.535 -10.155 580 HG13 VAL 76 HG13 VAL 76 -0.629 2.050 -9.286 581 HG21 VAL 76 HG21 VAL 76 1.676 2.176 -10.428 582 HG22 VAL 76 HG22 VAL 76 1.363 0.631 -11.225 583 HG23 VAL 76 HG23 VAL 76 2.817 0.843 -10.243 584 H LEU 77 HN LEU 77 -0.253 2.499 -6.671 585 HA LEU 77 HA LEU 77 -0.261 1.588 -4.076 586 HB2 LEU 77 HB2 LEU 77 -2.133 3.165 -5.784 587 HB3 LEU 77 HB1 LEU 77 -2.849 2.473 -4.342 588 HG LEU 77 HG LEU 77 -2.092 4.795 -3.994 589 HD11 LEU 77 HD11 LEU 77 -0.561 2.792 -2.309 590 HD12 LEU 77 HD12 LEU 77 -2.240 3.292 -2.083 591 HD13 LEU 77 HD13 LEU 77 -0.943 4.462 -1.871 592 HD21 LEU 77 HD21 LEU 77 0.278 5.378 -3.887 593 HD22 LEU 77 HD22 LEU 77 -0.157 4.838 -5.503 594 HD23 LEU 77 HD23 LEU 77 0.733 3.759 -4.426 595 H LYS 78 HN LYS 78 -2.183 0.259 -6.778 596 HA LYS 78 HA LYS 78 -3.740 -1.535 -5.170 597 HB2 LYS 78 HB2 LYS 78 -4.386 -2.621 -7.300 598 HB3 LYS 78 HB1 LYS 78 -4.505 -0.869 -7.402 599 HG2 LYS 78 HG2 LYS 78 -2.296 -0.830 -8.582 600 HG3 LYS 78 HG1 LYS 78 -2.302 -2.595 -8.590 601 HD2 LYS 78 HD2 LYS 78 -4.355 -2.588 -9.950 602 HD3 LYS 78 HD1 LYS 78 -4.399 -0.822 -9.891 603 HE2 LYS 78 HE2 LYS 78 -3.477 -1.535 -12.032 604 HE3 LYS 78 HE1 LYS 78 -2.209 -0.750 -11.089 605 HZ1 LYS 78 HZ1 LYS 78 -2.591 -3.678 -11.425 606 HZ2 LYS 78 HZ2 LYS 78 -1.389 -2.966 -10.481 607 HZ3 LYS 78 HZ3 LYS 78 -1.394 -2.743 -12.158 608 H ASN 79 HN ASN 79 -0.686 -1.871 -6.920 609 HA ASN 79 HA ASN 79 -0.361 -4.709 -6.530 610 HB2 ASN 79 HB2 ASN 79 1.654 -2.573 -7.375 611 HB3 ASN 79 HB1 ASN 79 1.921 -4.311 -7.473 612 HD21 ASN 79 HD21 ASN 79 1.879 -2.232 -9.550 613 HD22 ASN 79 HD22 ASN 79 0.771 -2.796 -10.734 614 H LEU 80 HN LEU 80 0.696 -1.797 -4.958 615 HA LEU 80 HA LEU 80 2.556 -2.873 -3.103 616 HB2 LEU 80 HB2 LEU 80 2.549 -0.491 -3.774 617 HB3 LEU 80 HB1 LEU 80 0.958 -0.277 -3.071 618 HG LEU 80 HG LEU 80 1.886 -0.627 -0.800 619 HD11 LEU 80 HD11 LEU 80 3.717 -2.156 -1.282 620 HD12 LEU 80 HD12 LEU 80 4.314 -0.746 -0.414 621 HD13 LEU 80 HD13 LEU 80 4.589 -0.891 -2.152 622 HD21 LEU 80 HD21 LEU 80 3.164 1.467 -0.618 623 HD22 LEU 80 HD22 LEU 80 1.767 1.653 -1.679 624 HD23 LEU 80 HD23 LEU 80 3.385 1.495 -2.370 625 H ALA 81 HN ALA 81 -0.889 -1.961 -2.963 626 HA ALA 81 HA ALA 81 -1.473 -2.715 -0.322 627 HB1 ALA 81 HB1 ALA 81 -3.828 -2.796 -1.053 628 HB2 ALA 81 HB2 ALA 81 -3.306 -2.786 -2.741 629 HB3 ALA 81 HB3 ALA 81 -3.001 -1.385 -1.719 630 H ALA 82 HN ALA 82 -1.408 -4.587 -3.321 631 HA ALA 82 HA ALA 82 -2.354 -7.053 -2.335 632 HB1 ALA 82 HB1 ALA 82 -2.173 -6.558 -4.741 633 HB2 ALA 82 HB2 ALA 82 -1.325 -8.048 -4.330 634 HB3 ALA 82 HB3 ALA 82 -0.415 -6.561 -4.621 635 H ARG 83 HN ARG 83 0.992 -5.826 -2.757 636 HA ARG 83 HA ARG 83 2.522 -7.936 -1.846 637 HB2 ARG 83 HB2 ARG 83 2.987 -4.960 -1.396 638 HB3 ARG 83 HB1 ARG 83 4.199 -6.189 -1.069 639 HG2 ARG 83 HG2 ARG 83 3.027 -5.616 -3.804 640 HG3 ARG 83 HG1 ARG 83 4.539 -4.955 -3.190 641 HD2 ARG 83 HD2 ARG 83 5.190 -6.771 -4.533 642 HD3 ARG 83 HD1 ARG 83 5.302 -7.383 -2.887 643 HE ARG 83 HE ARG 83 3.354 -8.701 -3.260 644 HH11 ARG 83 HH11 ARG 83 4.356 -7.012 -6.195 645 HH12 ARG 83 HH12 ARG 83 3.637 -8.180 -7.246 646 HH21 ARG 83 HH21 ARG 83 2.410 -10.202 -4.648 647 HH22 ARG 83 HH22 ARG 83 2.523 -9.991 -6.366 648 H ILE 84 HN ILE 84 1.175 -5.307 0.056 649 HA ILE 84 HA ILE 84 2.237 -6.009 2.599 650 HB ILE 84 HB ILE 84 -0.105 -4.243 1.779 651 HG12 ILE 84 HG12 ILE 84 2.719 -3.367 2.517 652 HG13 ILE 84 HG11 ILE 84 2.227 -3.684 0.857 653 HG21 ILE 84 HG21 ILE 84 -0.323 -4.832 4.155 654 HG22 ILE 84 HG22 ILE 84 0.083 -3.129 3.955 655 HG23 ILE 84 HG23 ILE 84 1.323 -4.273 4.452 656 HD11 ILE 84 HD11 ILE 84 1.029 -1.596 2.673 657 HD12 ILE 84 HD12 ILE 84 0.569 -1.909 0.996 658 HD13 ILE 84 HD13 ILE 84 2.185 -1.319 1.372 659 H ASP 85 HN ASP 85 -0.953 -6.509 1.046 660 HA ASP 85 HA ASP 85 -2.337 -7.697 3.192 661 HB2 ASP 85 HB2 ASP 85 -3.503 -6.846 1.199 662 HB3 ASP 85 HB1 ASP 85 -2.711 -8.043 0.178 663 H GLU 86 HN GLU 86 -0.305 -9.116 0.658 664 HA GLU 86 HA GLU 86 -0.698 -11.872 1.305 665 HB2 GLU 86 HB2 GLU 86 1.604 -10.492 -0.139 666 HB3 GLU 86 HB1 GLU 86 1.390 -12.240 -0.069 667 HG2 GLU 86 HG2 GLU 86 -0.652 -12.109 -1.342 668 HG3 GLU 86 HG1 GLU 86 -0.643 -10.347 -1.272 669 H LEU 87 HN LEU 87 1.636 -9.426 2.384 670 HA LEU 87 HA LEU 87 3.209 -11.198 4.011 671 HB2 LEU 87 HB2 LEU 87 2.966 -8.164 4.141 672 HB3 LEU 87 HB1 LEU 87 4.197 -9.121 4.956 673 HG LEU 87 HG LEU 87 3.869 -8.884 1.935 674 HD11 LEU 87 HD11 LEU 87 4.673 -6.814 2.911 675 HD12 LEU 87 HD12 LEU 87 5.931 -7.598 1.960 676 HD13 LEU 87 HD13 LEU 87 5.985 -7.677 3.725 677 HD21 LEU 87 HD21 LEU 87 5.999 -10.099 1.755 678 HD22 LEU 87 HD22 LEU 87 4.762 -11.079 2.533 679 HD23 LEU 87 HD23 LEU 87 6.026 -10.329 3.509 680 H VAL 88 HN VAL 88 0.316 -9.261 4.607 681 HA VAL 88 HA VAL 88 0.149 -9.696 7.440 682 HB VAL 88 HB VAL 88 -1.999 -8.937 5.397 683 HG11 VAL 88 HG11 VAL 88 -3.090 -10.006 7.354 684 HG12 VAL 88 HG12 VAL 88 -3.423 -8.275 7.329 685 HG13 VAL 88 HG13 VAL 88 -2.216 -8.923 8.442 686 HG21 VAL 88 HG21 VAL 88 -1.766 -6.648 6.337 687 HG22 VAL 88 HG22 VAL 88 -0.224 -7.214 5.695 688 HG23 VAL 88 HG23 VAL 88 -0.508 -7.218 7.436 689 H ALA 89 HN ALA 89 -1.001 -11.387 4.571 690 HA ALA 89 HA ALA 89 -2.500 -13.450 5.836 691 HB1 ALA 89 HB1 ALA 89 -1.145 -13.439 3.110 692 HB2 ALA 89 HB2 ALA 89 -2.782 -12.877 3.450 693 HB3 ALA 89 HB3 ALA 89 -2.381 -14.583 3.645 694 H ALA 90 HN ALA 90 0.867 -13.145 4.774 695 HA ALA 90 HA ALA 90 1.790 -15.744 5.338 696 HB1 ALA 90 HB1 ALA 90 2.994 -14.165 3.873 697 HB2 ALA 90 HB2 ALA 90 4.041 -14.755 5.167 698 HB3 ALA 90 HB3 ALA 90 3.343 -13.133 5.262 699 H LYS 91 HN LYS 91 1.672 -12.758 7.337 700 HA LYS 91 HA LYS 91 3.112 -13.956 9.553 701 HB2 LYS 91 HB2 LYS 91 2.860 -11.888 10.704 702 HB3 LYS 91 HB1 LYS 91 3.116 -11.446 9.019 703 HG2 LYS 91 HG2 LYS 91 0.879 -10.758 8.723 704 HG3 LYS 91 HG1 LYS 91 0.312 -11.646 10.137 705 HD2 LYS 91 HD2 LYS 91 1.550 -10.047 11.600 706 HD3 LYS 91 HD1 LYS 91 2.028 -9.131 10.169 707 HE2 LYS 91 HE2 LYS 91 -0.277 -8.524 9.710 708 HE3 LYS 91 HE1 LYS 91 -0.866 -9.628 10.956 709 HZ1 LYS 91 HZ1 LYS 91 0.231 -8.269 12.626 710 HZ2 LYS 91 HZ2 LYS 91 -0.873 -7.353 11.726 711 HZ3 LYS 91 HZ3 LYS 91 0.780 -7.208 11.429 712 H GLY 92 HN GLY 92 -0.136 -13.869 8.389 713 HA2 GLY 92 HA2 GLY 92 -1.616 -14.309 10.774 714 HA3 GLY 92 HA1 GLY 92 -2.112 -14.734 9.141 715 H ALA 93 HN ALA 93 0.168 -16.431 8.596 716 HA ALA 93 HA ALA 93 -0.646 -18.920 9.798 717 HB1 ALA 93 HB1 ALA 93 0.195 -18.807 7.479 718 HB2 ALA 93 HB2 ALA 93 1.177 -19.906 8.452 719 HB3 ALA 93 HB3 ALA 93 1.775 -18.288 8.067 720 H LEU 94 HN LEU 94 1.932 -16.588 10.290 721 HA LEU 94 HA LEU 94 3.372 -18.222 12.240 722 HB2 LEU 94 HB2 LEU 94 3.910 -15.502 10.991 723 HB3 LEU 94 HB1 LEU 94 4.832 -16.075 12.370 724 HG LEU 94 HG LEU 94 5.658 -18.001 11.047 725 HD11 LEU 94 HD11 LEU 94 3.804 -18.323 9.490 726 HD12 LEU 94 HD12 LEU 94 5.325 -18.141 8.622 727 HD13 LEU 94 HD13 LEU 94 4.185 -16.795 8.687 728 HD21 LEU 94 HD21 LEU 94 6.999 -15.965 11.135 729 HD22 LEU 94 HD22 LEU 94 6.157 -15.313 9.730 730 HD23 LEU 94 HD23 LEU 94 7.172 -16.747 9.565 731 H GLU 95 HN GLU 95 1.518 -18.313 13.636 732 HA GLU 95 HA GLU 95 0.655 -15.985 15.095 733 HB2 GLU 95 HB2 GLU 95 -0.217 -18.119 16.678 734 HB3 GLU 95 HB1 GLU 95 -1.130 -17.362 15.391 735 HG2 GLU 95 HG2 GLU 95 -1.265 -19.769 15.194 736 HG3 GLU 95 HG1 GLU 95 -0.403 -19.101 13.813 737 H HIS 96 HN HIS 96 2.521 -15.061 15.876 738 HA HIS 96 HA HIS 96 4.395 -16.244 17.631 739 HB2 HIS 96 HB2 HIS 96 4.781 -14.064 16.543 740 HB3 HIS 96 HB1 HIS 96 3.451 -13.354 17.448 741 HD1 HIS 96 HD1 HIS 96 4.408 -11.827 19.153 742 HD2 HIS 96 HD2 HIS 96 6.687 -15.277 18.723 743 HE1 HIS 96 HE1 HIS 96 6.272 -11.615 20.820 744 HE2 HIS 96 HE2 HIS 96 7.495 -13.806 20.687 745 H HIS 97 HN HIS 97 4.372 -16.596 19.793 746 HA HIS 97 HA HIS 97 3.712 -16.930 21.903 747 HB2 HIS 97 HB2 HIS 97 2.752 -14.770 22.258 748 HB3 HIS 97 HB1 HIS 97 1.363 -15.131 21.247 749 HD1 HIS 97 HD1 HIS 97 2.775 -15.868 24.677 750 HD2 HIS 97 HD2 HIS 97 -0.775 -16.298 22.586 751 HE1 HIS 97 HE1 HIS 97 1.074 -16.577 26.381 752 HE2 HIS 97 HE2 HIS 97 -1.103 -16.576 25.126 753 H HIS 98 HN HIS 98 1.372 -17.458 19.324 754 HA HIS 98 HA HIS 98 0.282 -19.251 18.572 755 HB2 HIS 98 HB2 HIS 98 2.105 -20.731 18.926 756 HB3 HIS 98 HB1 HIS 98 1.896 -20.708 20.668 757 HD1 HIS 98 HD1 HIS 98 -0.239 -21.840 17.707 758 HD2 HIS 98 HD2 HIS 98 0.842 -23.071 21.526 759 HE1 HIS 98 HE1 HIS 98 -1.420 -24.018 18.063 760 HE2 HIS 98 HE2 HIS 98 -0.886 -24.657 20.433 761 H HIS 99 HN HIS 99 0.224 -19.562 22.137 762 HA HIS 99 HA HIS 99 -2.201 -20.863 22.426 763 HB2 HIS 99 HB2 HIS 99 -0.500 -20.706 24.200 764 HB3 HIS 99 HB1 HIS 99 -0.818 -18.987 24.388 765 HD1 HIS 99 HD1 HIS 99 -1.275 -19.573 26.891 766 HD2 HIS 99 HD2 HIS 99 -4.038 -21.151 24.222 767 HE1 HIS 99 HE1 HIS 99 -3.226 -20.284 28.290 768 HE2 HIS 99 HE2 HIS 99 -4.969 -20.980 26.624 769 H HIS 100 HN HIS 100 -3.958 -20.147 21.436 770 HA HIS 100 HA HIS 100 -5.158 -17.565 22.280 771 HB2 HIS 100 HB2 HIS 100 -5.792 -19.195 19.774 772 HB3 HIS 100 HB1 HIS 100 -6.550 -17.674 20.234 773 HD1 HIS 100 HD1 HIS 100 -4.155 -18.860 17.971 774 HD2 HIS 100 HD2 HIS 100 -4.302 -15.568 20.499 775 HE1 HIS 100 HE1 HIS 100 -2.506 -17.228 17.033 776 HE2 HIS 100 HE2 HIS 100 -2.531 -15.298 18.633 777 H HIS 101 HN HIS 101 -7.294 -17.662 23.047 778 HA HIS 101 HA HIS 101 -8.750 -20.182 23.173 779 HB2 HIS 101 HB2 HIS 101 -7.275 -20.286 25.179 780 HB3 HIS 101 HB1 HIS 101 -7.900 -18.737 25.735 781 HD1 HIS 101 HD1 HIS 101 -8.866 -22.360 25.369 782 HD2 HIS 101 HD2 HIS 101 -10.369 -18.870 27.053 783 HE1 HIS 101 HE1 HIS 101 -10.765 -23.090 26.845 784 HE2 HIS 101 HE2 HIS 101 -11.728 -20.949 27.768 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -15.577 2.481 3.734 2 H2 MET 1 HT2 MET 1 -14.107 3.299 3.603 3 H3 MET 1 HT3 MET 1 -14.757 2.975 5.124 4 HA MET 1 HA MET 1 -14.467 0.635 4.821 5 HB2 MET 1 HB2 MET 1 -13.257 1.426 2.139 6 HB3 MET 1 HB1 MET 1 -13.254 -0.205 2.804 7 HG2 MET 1 HG2 MET 1 -15.717 -0.251 2.690 8 HG3 MET 1 HG1 MET 1 -15.716 1.385 2.028 9 HE1 MET 1 HE1 MET 1 -17.254 -0.985 0.587 10 HE2 MET 1 HE2 MET 1 -16.767 -0.743 -1.090 11 HE3 MET 1 HE3 MET 1 -17.163 0.645 -0.080 12 H THR 2 HN THR 2 -12.388 -0.429 5.301 13 HA THR 2 HA THR 2 -10.148 1.421 5.882 14 HB THR 2 HB THR 2 -10.019 0.386 8.223 15 HG1 THR 2 HG1 THR 2 -11.728 -0.745 8.980 16 HG21 THR 2 HG21 THR 2 -10.894 2.672 7.959 17 HG22 THR 2 HG22 THR 2 -11.743 1.814 9.246 18 HG23 THR 2 HG23 THR 2 -12.515 2.035 7.673 19 H SER 3 HN SER 3 -10.479 -0.788 3.932 20 HA SER 3 HA SER 3 -8.970 -3.062 4.875 21 HB2 SER 3 HB2 SER 3 -9.019 -3.817 2.510 22 HB3 SER 3 HB1 SER 3 -10.622 -3.311 3.037 23 HG SER 3 HG SER 3 -10.360 -1.403 1.922 24 H THR 4 HN THR 4 -7.029 -3.641 3.108 25 HA THR 4 HA THR 4 -4.825 -2.338 4.161 26 HB THR 4 HB THR 4 -4.936 -3.912 1.552 27 HG1 THR 4 HG1 THR 4 -5.110 -5.602 2.817 28 HG21 THR 4 HG21 THR 4 -2.547 -4.404 1.973 29 HG22 THR 4 HG22 THR 4 -2.562 -3.321 3.365 30 HG23 THR 4 HG23 THR 4 -2.806 -2.673 1.739 31 H PHE 5 HN PHE 5 -6.258 -1.821 0.883 32 HA PHE 5 HA PHE 5 -4.477 0.137 -0.043 33 HB2 PHE 5 HB2 PHE 5 -5.969 -0.755 -1.670 34 HB3 PHE 5 HB1 PHE 5 -7.387 -0.406 -0.693 35 HD1 PHE 5 HD1 PHE 5 -4.638 1.324 -2.600 36 HD2 PHE 5 HD2 PHE 5 -8.647 1.582 -1.097 37 HE1 PHE 5 HE1 PHE 5 -4.938 3.486 -3.731 38 HE2 PHE 5 HE2 PHE 5 -8.926 3.738 -2.247 39 HZ PHE 5 HZ PHE 5 -7.072 4.696 -3.556 40 H ASP 6 HN ASP 6 -7.460 0.538 1.856 41 HA ASP 6 HA ASP 6 -7.630 3.346 1.814 42 HB2 ASP 6 HB2 ASP 6 -8.598 1.411 3.965 43 HB3 ASP 6 HB1 ASP 6 -9.080 3.104 3.852 44 H ARG 7 HN ARG 7 -6.118 1.140 4.095 45 HA ARG 7 HA ARG 7 -5.153 3.018 5.967 46 HB2 ARG 7 HB2 ARG 7 -4.106 0.252 5.273 47 HB3 ARG 7 HB1 ARG 7 -3.658 1.160 6.710 48 HG2 ARG 7 HG2 ARG 7 -6.488 0.257 6.082 49 HG3 ARG 7 HG1 ARG 7 -5.356 -0.647 7.090 50 HD2 ARG 7 HD2 ARG 7 -5.210 1.331 8.620 51 HD3 ARG 7 HD1 ARG 7 -6.453 2.132 7.650 52 HE ARG 7 HE ARG 7 -7.359 -0.424 8.490 53 HH11 ARG 7 HH11 ARG 7 -6.856 2.818 9.729 54 HH12 ARG 7 HH12 ARG 7 -7.969 2.617 11.042 55 HH21 ARG 7 HH21 ARG 7 -8.788 -0.689 10.244 56 HH22 ARG 7 HH22 ARG 7 -9.050 0.618 11.352 57 H VAL 8 HN VAL 8 -3.638 1.571 3.036 58 HA VAL 8 HA VAL 8 -0.989 2.538 3.488 59 HB VAL 8 HB VAL 8 -2.369 1.557 0.934 60 HG11 VAL 8 HG11 VAL 8 -0.490 3.015 0.275 61 HG12 VAL 8 HG12 VAL 8 -0.102 1.328 -0.064 62 HG13 VAL 8 HG13 VAL 8 0.598 2.123 1.346 63 HG21 VAL 8 HG21 VAL 8 -0.378 0.156 2.758 64 HG22 VAL 8 HG22 VAL 8 -1.093 -0.515 1.289 65 HG23 VAL 8 HG23 VAL 8 -2.113 -0.167 2.685 66 H ALA 9 HN ALA 9 -3.734 3.670 1.573 67 HA ALA 9 HA ALA 9 -2.539 5.829 0.234 68 HB1 ALA 9 HB1 ALA 9 -5.456 5.439 0.998 69 HB2 ALA 9 HB2 ALA 9 -4.682 4.840 -0.471 70 HB3 ALA 9 HB3 ALA 9 -4.853 6.579 -0.209 71 H THR 10 HN THR 10 -4.308 5.623 3.302 72 HA THR 10 HA THR 10 -4.223 8.326 4.070 73 HB THR 10 HB THR 10 -4.321 5.842 5.844 74 HG1 THR 10 HG1 THR 10 -6.293 5.693 5.123 75 HG21 THR 10 HG21 THR 10 -3.772 7.859 7.184 76 HG22 THR 10 HG22 THR 10 -5.406 7.298 7.530 77 HG23 THR 10 HG23 THR 10 -5.162 8.702 6.491 78 H ILE 11 HN ILE 11 -1.966 5.641 4.743 79 HA ILE 11 HA ILE 11 -0.079 6.978 6.316 80 HB ILE 11 HB ILE 11 0.246 4.651 4.371 81 HG12 ILE 11 HG12 ILE 11 0.141 4.647 7.417 82 HG13 ILE 11 HG11 ILE 11 -1.253 4.347 6.393 83 HG21 ILE 11 HG21 ILE 11 2.406 4.125 5.495 84 HG22 ILE 11 HG22 ILE 11 2.302 5.653 6.375 85 HG23 ILE 11 HG23 ILE 11 2.459 5.657 4.614 86 HD11 ILE 11 HD11 ILE 11 1.236 2.644 6.551 87 HD12 ILE 11 HD12 ILE 11 -0.151 2.336 5.502 88 HD13 ILE 11 HD13 ILE 11 -0.339 2.282 7.253 89 H ILE 12 HN ILE 12 -0.128 6.546 2.757 90 HA ILE 12 HA ILE 12 2.251 7.896 2.145 91 HB ILE 12 HB ILE 12 -0.246 7.435 0.452 92 HG12 ILE 12 HG12 ILE 12 2.420 5.959 0.567 93 HG13 ILE 12 HG11 ILE 12 0.873 5.357 1.146 94 HG21 ILE 12 HG21 ILE 12 2.461 8.396 -0.544 95 HG22 ILE 12 HG22 ILE 12 0.968 9.337 -0.517 96 HG23 ILE 12 HG23 ILE 12 1.099 7.923 -1.562 97 HD11 ILE 12 HD11 ILE 12 1.626 5.879 -1.733 98 HD12 ILE 12 HD12 ILE 12 0.048 5.320 -1.178 99 HD13 ILE 12 HD13 ILE 12 1.473 4.310 -0.945 100 H ALA 13 HN ALA 13 -1.116 9.073 2.238 101 HA ALA 13 HA ALA 13 -0.798 11.744 1.666 102 HB1 ALA 13 HB1 ALA 13 -2.878 12.113 2.923 103 HB2 ALA 13 HB2 ALA 13 -2.701 10.531 3.685 104 HB3 ALA 13 HB3 ALA 13 -2.977 10.644 1.947 105 H GLU 14 HN GLU 14 -0.632 10.255 4.925 106 HA GLU 14 HA GLU 14 -0.057 12.664 6.317 107 HB2 GLU 14 HB2 GLU 14 0.213 9.756 7.173 108 HB3 GLU 14 HB1 GLU 14 0.431 11.128 8.262 109 HG2 GLU 14 HG2 GLU 14 -1.932 11.812 7.771 110 HG3 GLU 14 HG1 GLU 14 -2.119 10.342 6.812 111 H THR 15 HN THR 15 1.992 10.383 4.645 112 HA THR 15 HA THR 15 4.434 11.250 5.956 113 HB THR 15 HB THR 15 4.153 9.515 3.447 114 HG1 THR 15 HG1 THR 15 3.390 8.099 4.825 115 HG21 THR 15 HG21 THR 15 6.449 10.422 3.810 116 HG22 THR 15 HG22 THR 15 6.390 8.675 4.047 117 HG23 THR 15 HG23 THR 15 6.448 9.752 5.446 118 H CYS 16 HN CYS 16 2.931 11.721 2.691 119 HA CYS 16 HA CYS 16 5.200 13.374 1.850 120 HB2 CYS 16 HB2 CYS 16 3.025 11.942 0.284 121 HB3 CYS 16 HB1 CYS 16 4.285 12.927 -0.449 122 HG CYS 16 HG CYS 16 5.912 10.912 1.417 123 H ASP 17 HN ASP 17 2.399 14.126 3.336 124 HA ASP 17 HA ASP 17 0.932 15.825 3.424 125 HB2 ASP 17 HB2 ASP 17 3.064 17.018 3.859 126 HB3 ASP 17 HB1 ASP 17 3.235 17.349 2.142 127 H ILE 18 HN ILE 18 -0.238 14.494 1.757 128 HA ILE 18 HA ILE 18 -1.064 16.162 -0.523 129 HB ILE 18 HB ILE 18 -1.240 13.982 -1.943 130 HG12 ILE 18 HG12 ILE 18 0.890 13.018 0.031 131 HG13 ILE 18 HG11 ILE 18 -0.750 12.395 -0.041 132 HG21 ILE 18 HG21 ILE 18 1.042 14.198 -2.827 133 HG22 ILE 18 HG22 ILE 18 1.528 15.108 -1.394 134 HG23 ILE 18 HG23 ILE 18 0.329 15.781 -2.504 135 HD11 ILE 18 HD11 ILE 18 1.338 12.168 -2.204 136 HD12 ILE 18 HD12 ILE 18 -0.316 11.553 -2.310 137 HD13 ILE 18 HD13 ILE 18 0.800 10.893 -1.115 138 HA PRO 19 HA PRO 19 -5.159 14.959 0.945 139 HB2 PRO 19 HB2 PRO 19 -6.624 15.211 -1.395 140 HB3 PRO 19 HB1 PRO 19 -6.110 16.585 -0.400 141 HG2 PRO 19 HG2 PRO 19 -4.822 15.455 -2.884 142 HG3 PRO 19 HG1 PRO 19 -5.136 17.155 -2.466 143 HD2 PRO 19 HD2 PRO 19 -2.684 16.069 -2.153 144 HD3 PRO 19 HD1 PRO 19 -3.309 17.257 -0.993 145 H ARG 20 HN ARG 20 -5.440 12.892 1.476 146 HA ARG 20 HA ARG 20 -4.619 10.624 0.144 147 HB2 ARG 20 HB2 ARG 20 -5.092 10.682 2.542 148 HB3 ARG 20 HB1 ARG 20 -6.802 10.943 2.249 149 HG2 ARG 20 HG2 ARG 20 -5.627 8.445 1.089 150 HG3 ARG 20 HG1 ARG 20 -5.720 8.514 2.842 151 HD2 ARG 20 HD2 ARG 20 -8.070 8.574 2.843 152 HD3 ARG 20 HD1 ARG 20 -8.152 9.140 1.175 153 HE ARG 20 HE ARG 20 -7.284 6.862 0.583 154 HH11 ARG 20 HH11 ARG 20 -9.083 7.187 3.555 155 HH12 ARG 20 HH12 ARG 20 -9.882 5.660 3.371 156 HH21 ARG 20 HH21 ARG 20 -8.348 4.950 0.295 157 HH22 ARG 20 HH22 ARG 20 -9.479 4.395 1.488 158 H GLU 21 HN GLU 21 -7.570 12.404 -0.388 159 HA GLU 21 HA GLU 21 -9.169 10.226 -1.388 160 HB2 GLU 21 HB2 GLU 21 -10.790 11.969 -1.989 161 HB3 GLU 21 HB1 GLU 21 -10.207 12.191 -0.342 162 HG2 GLU 21 HG2 GLU 21 -8.796 14.037 -1.016 163 HG3 GLU 21 HG1 GLU 21 -9.131 13.743 -2.721 164 H THR 22 HN THR 22 -6.853 12.451 -2.795 165 HA THR 22 HA THR 22 -7.789 12.117 -5.537 166 HB THR 22 HB THR 22 -5.831 13.536 -6.158 167 HG1 THR 22 HG1 THR 22 -4.933 12.808 -3.725 168 HG21 THR 22 HG21 THR 22 -7.395 14.691 -3.814 169 HG22 THR 22 HG22 THR 22 -7.931 14.675 -5.498 170 HG23 THR 22 HG23 THR 22 -6.514 15.619 -5.035 171 H ILE 23 HN ILE 23 -6.021 10.226 -3.402 172 HA ILE 23 HA ILE 23 -4.262 8.960 -5.353 173 HB ILE 23 HB ILE 23 -4.798 8.536 -2.376 174 HG12 ILE 23 HG12 ILE 23 -2.289 8.867 -2.183 175 HG13 ILE 23 HG11 ILE 23 -2.239 9.211 -3.903 176 HG21 ILE 23 HG21 ILE 23 -3.217 6.632 -2.362 177 HG22 ILE 23 HG22 ILE 23 -3.167 6.669 -4.126 178 HG23 ILE 23 HG23 ILE 23 -4.676 6.288 -3.291 179 HD11 ILE 23 HD11 ILE 23 -3.660 10.834 -1.805 180 HD12 ILE 23 HD12 ILE 23 -3.621 11.189 -3.535 181 HD13 ILE 23 HD13 ILE 23 -2.131 11.225 -2.593 182 H THR 24 HN THR 24 -5.289 7.691 -6.775 183 HA THR 24 HA THR 24 -7.641 6.069 -6.068 184 HB THR 24 HB THR 24 -7.740 5.597 -8.520 185 HG1 THR 24 HG1 THR 24 -6.071 7.241 -9.630 186 HG21 THR 24 HG21 THR 24 -8.263 7.875 -9.323 187 HG22 THR 24 HG22 THR 24 -7.388 8.575 -7.961 188 HG23 THR 24 HG23 THR 24 -8.868 7.655 -7.677 189 HA PRO 25 HA PRO 25 -5.272 2.198 -5.816 190 HB2 PRO 25 HB2 PRO 25 -6.711 0.459 -7.455 191 HB3 PRO 25 HB1 PRO 25 -7.170 0.867 -5.797 192 HG2 PRO 25 HG2 PRO 25 -8.171 2.045 -8.386 193 HG3 PRO 25 HG1 PRO 25 -9.098 1.543 -6.954 194 HD2 PRO 25 HD2 PRO 25 -8.543 4.130 -7.368 195 HD3 PRO 25 HD1 PRO 25 -8.482 3.452 -5.724 196 H GLU 26 HN GLU 26 -5.786 3.825 -8.860 197 HA GLU 26 HA GLU 26 -3.930 2.091 -10.338 198 HB2 GLU 26 HB2 GLU 26 -5.561 4.474 -11.323 199 HB3 GLU 26 HB1 GLU 26 -4.706 3.292 -12.313 200 HG2 GLU 26 HG2 GLU 26 -7.172 2.799 -10.606 201 HG3 GLU 26 HG1 GLU 26 -7.108 2.880 -12.365 202 H SER 27 HN SER 27 -3.689 4.623 -8.236 203 HA SER 27 HA SER 27 -1.989 6.464 -9.634 204 HB2 SER 27 HB2 SER 27 -2.446 6.099 -6.637 205 HB3 SER 27 HB1 SER 27 -1.545 7.433 -7.369 206 HG SER 27 HG SER 27 -3.982 7.116 -8.526 207 H HIS 28 HN HIS 28 0.043 6.158 -10.139 208 HA HIS 28 HA HIS 28 1.747 4.183 -8.858 209 HB2 HIS 28 HB2 HIS 28 1.733 4.783 -11.364 210 HB3 HIS 28 HB1 HIS 28 2.564 6.271 -10.912 211 HD2 HIS 28 HD2 HIS 28 3.350 2.810 -11.940 212 HE1 HIS 28 HE1 HIS 28 6.748 4.071 -9.798 213 HE2 HIS 28 HE2 HIS 28 5.900 2.508 -11.577 214 H ALA 29 HN ALA 29 2.813 4.738 -7.002 215 HA ALA 29 HA ALA 29 2.963 7.050 -5.630 216 HB1 ALA 29 HB1 ALA 29 4.945 6.121 -4.489 217 HB2 ALA 29 HB2 ALA 29 5.168 4.959 -5.800 218 HB3 ALA 29 HB3 ALA 29 3.734 4.867 -4.776 219 H ILE 30 HN ILE 30 5.111 6.173 -8.343 220 HA ILE 30 HA ILE 30 6.935 8.404 -7.713 221 HB ILE 30 HB ILE 30 7.335 6.172 -9.759 222 HG12 ILE 30 HG12 ILE 30 8.436 6.305 -6.907 223 HG13 ILE 30 HG11 ILE 30 7.139 5.239 -7.439 224 HG21 ILE 30 HG21 ILE 30 9.343 8.127 -8.559 225 HG22 ILE 30 HG22 ILE 30 8.708 8.175 -10.204 226 HG23 ILE 30 HG23 ILE 30 9.722 6.827 -9.697 227 HD11 ILE 30 HD11 ILE 30 10.008 5.158 -8.368 228 HD12 ILE 30 HD12 ILE 30 8.714 4.107 -8.948 229 HD13 ILE 30 HD13 ILE 30 9.217 4.037 -7.261 230 H ASP 31 HN ASP 31 5.025 6.980 -10.341 231 HA ASP 31 HA ASP 31 5.771 8.956 -12.300 232 HB2 ASP 31 HB2 ASP 31 5.400 6.674 -13.027 233 HB3 ASP 31 HB1 ASP 31 3.777 6.665 -12.357 234 H ASP 32 HN ASP 32 2.878 8.412 -10.276 235 HA ASP 32 HA ASP 32 1.502 10.700 -11.534 236 HB2 ASP 32 HB2 ASP 32 0.510 8.547 -9.617 237 HB3 ASP 32 HB1 ASP 32 -0.456 9.958 -10.036 238 H LEU 33 HN LEU 33 2.247 9.515 -8.207 239 HA LEU 33 HA LEU 33 1.431 11.996 -7.012 240 HB2 LEU 33 HB2 LEU 33 2.839 9.611 -5.750 241 HB3 LEU 33 HB1 LEU 33 2.008 10.897 -4.879 242 HG LEU 33 HG LEU 33 0.686 8.856 -6.730 243 HD11 LEU 33 HD11 LEU 33 0.575 9.053 -3.705 244 HD12 LEU 33 HD12 LEU 33 1.452 7.842 -4.645 245 HD13 LEU 33 HD13 LEU 33 -0.307 7.899 -4.715 246 HD21 LEU 33 HD21 LEU 33 -0.618 11.033 -5.046 247 HD22 LEU 33 HD22 LEU 33 -1.472 9.778 -5.952 248 HD23 LEU 33 HD23 LEU 33 -0.521 10.988 -6.810 249 H GLY 34 HN GLY 34 4.405 10.926 -8.341 250 HA2 GLY 34 HA2 GLY 34 6.439 11.986 -8.578 251 HA3 GLY 34 HA1 GLY 34 5.760 13.380 -7.751 252 H ILE 35 HN ILE 35 6.094 10.081 -6.547 253 HA ILE 35 HA ILE 35 7.621 10.995 -4.192 254 HB ILE 35 HB ILE 35 6.152 8.382 -4.792 255 HG12 ILE 35 HG12 ILE 35 5.440 10.585 -2.809 256 HG13 ILE 35 HG11 ILE 35 4.683 10.367 -4.380 257 HG21 ILE 35 HG21 ILE 35 6.549 7.705 -2.467 258 HG22 ILE 35 HG22 ILE 35 7.522 9.149 -2.198 259 HG23 ILE 35 HG23 ILE 35 8.075 7.912 -3.329 260 HD11 ILE 35 HD11 ILE 35 3.274 9.525 -2.622 261 HD12 ILE 35 HD12 ILE 35 4.544 8.442 -2.063 262 HD13 ILE 35 HD13 ILE 35 3.806 8.194 -3.648 263 H ASP 36 HN ASP 36 9.809 10.814 -4.404 264 HA ASP 36 HA ASP 36 11.113 9.075 -6.288 265 HB2 ASP 36 HB2 ASP 36 11.983 11.357 -5.474 266 HB3 ASP 36 HB1 ASP 36 12.378 10.592 -3.943 267 H SER 37 HN SER 37 12.797 7.495 -5.546 268 HA SER 37 HA SER 37 11.782 5.400 -4.008 269 HB2 SER 37 HB2 SER 37 14.714 5.965 -4.638 270 HB3 SER 37 HB1 SER 37 14.019 4.391 -4.225 271 HG SER 37 HG SER 37 13.861 5.876 -6.578 272 H LEU 38 HN LEU 38 13.688 8.219 -3.009 273 HA LEU 38 HA LEU 38 14.546 7.132 -0.487 274 HB2 LEU 38 HB2 LEU 38 15.333 9.465 -0.003 275 HB3 LEU 38 HB1 LEU 38 15.995 8.739 -1.450 276 HG LEU 38 HG LEU 38 14.186 10.150 -2.733 277 HD11 LEU 38 HD11 LEU 38 14.245 11.745 -0.161 278 HD12 LEU 38 HD12 LEU 38 12.850 10.910 -0.848 279 HD13 LEU 38 HD13 LEU 38 13.556 12.281 -1.697 280 HD21 LEU 38 HD21 LEU 38 15.708 12.067 -2.911 281 HD22 LEU 38 HD22 LEU 38 16.595 10.543 -2.921 282 HD23 LEU 38 HD23 LEU 38 16.564 11.534 -1.459 283 H ASP 39 HN ASP 39 11.821 9.062 -1.605 284 HA ASP 39 HA ASP 39 10.743 9.722 0.976 285 HB2 ASP 39 HB2 ASP 39 9.290 9.484 -1.701 286 HB3 ASP 39 HB1 ASP 39 8.642 10.243 -0.248 287 H PHE 40 HN PHE 40 10.313 7.108 -1.344 288 HA PHE 40 HA PHE 40 8.073 5.891 -0.097 289 HB2 PHE 40 HB2 PHE 40 8.830 5.670 -2.549 290 HB3 PHE 40 HB1 PHE 40 10.015 4.500 -1.980 291 HD1 PHE 40 HD1 PHE 40 6.404 5.168 -2.430 292 HD2 PHE 40 HD2 PHE 40 9.314 2.254 -1.272 293 HE1 PHE 40 HE1 PHE 40 4.695 3.409 -2.529 294 HE2 PHE 40 HE2 PHE 40 7.596 0.499 -1.390 295 HZ PHE 40 HZ PHE 40 5.292 1.079 -2.023 296 H LEU 41 HN LEU 41 11.544 5.645 0.463 297 HA LEU 41 HA LEU 41 11.761 3.315 2.009 298 HB2 LEU 41 HB2 LEU 41 13.070 6.014 2.562 299 HB3 LEU 41 HB1 LEU 41 13.571 4.489 3.278 300 HG LEU 41 HG LEU 41 13.782 5.246 0.339 301 HD11 LEU 41 HD11 LEU 41 15.926 4.881 2.453 302 HD12 LEU 41 HD12 LEU 41 15.397 6.409 1.740 303 HD13 LEU 41 HD13 LEU 41 16.205 5.206 0.738 304 HD21 LEU 41 HD21 LEU 41 13.321 2.848 0.551 305 HD22 LEU 41 HD22 LEU 41 14.646 2.672 1.703 306 HD23 LEU 41 HD23 LEU 41 14.983 3.122 0.030 307 H ASP 42 HN ASP 42 10.842 6.577 3.008 308 HA ASP 42 HA ASP 42 10.360 5.983 5.775 309 HB2 ASP 42 HB2 ASP 42 9.569 8.407 4.100 310 HB3 ASP 42 HB1 ASP 42 9.446 8.315 5.861 311 H ILE 43 HN ILE 43 8.323 6.279 2.902 312 HA ILE 43 HA ILE 43 5.792 5.981 4.143 313 HB ILE 43 HB ILE 43 6.692 5.146 1.346 314 HG12 ILE 43 HG12 ILE 43 5.265 7.667 2.315 315 HG13 ILE 43 HG11 ILE 43 6.929 7.569 1.748 316 HG21 ILE 43 HG21 ILE 43 4.302 5.107 0.709 317 HG22 ILE 43 HG22 ILE 43 3.841 5.408 2.385 318 HG23 ILE 43 HG23 ILE 43 4.658 3.906 1.949 319 HD11 ILE 43 HD11 ILE 43 4.435 7.152 0.109 320 HD12 ILE 43 HD12 ILE 43 6.084 6.949 -0.496 321 HD13 ILE 43 HD13 ILE 43 5.532 8.531 0.056 322 H ALA 44 HN ALA 44 8.192 3.620 2.990 323 HA ALA 44 HA ALA 44 6.562 1.287 3.273 324 HB1 ALA 44 HB1 ALA 44 8.658 0.041 2.859 325 HB2 ALA 44 HB2 ALA 44 9.592 1.530 3.059 326 HB3 ALA 44 HB3 ALA 44 8.472 1.367 1.704 327 H PHE 45 HN PHE 45 8.979 2.917 5.290 328 HA PHE 45 HA PHE 45 9.115 1.124 7.467 329 HB2 PHE 45 HB2 PHE 45 10.670 3.071 7.020 330 HB3 PHE 45 HB1 PHE 45 9.399 4.168 7.541 331 HD1 PHE 45 HD2 PHE 45 8.739 4.240 9.968 332 HD2 PHE 45 HD1 PHE 45 12.001 1.830 8.630 333 HE1 PHE 45 HE2 PHE 45 9.559 4.062 12.277 334 HE2 PHE 45 HE1 PHE 45 12.815 1.657 10.939 335 HZ PHE 45 HZ PHE 45 11.600 2.774 12.764 336 H ALA 46 HN ALA 46 6.955 3.843 6.788 337 HA ALA 46 HA ALA 46 5.508 3.834 9.236 338 HB1 ALA 46 HB1 ALA 46 5.604 5.792 7.757 339 HB2 ALA 46 HB2 ALA 46 3.929 5.311 8.058 340 HB3 ALA 46 HB3 ALA 46 4.702 4.910 6.519 341 H ILE 47 HN ILE 47 4.879 2.368 6.065 342 HA ILE 47 HA ILE 47 2.394 1.120 6.616 343 HB ILE 47 HB ILE 47 4.592 0.501 4.602 344 HG12 ILE 47 HG12 ILE 47 1.837 1.748 4.190 345 HG13 ILE 47 HG11 ILE 47 3.343 2.653 4.286 346 HG21 ILE 47 HG21 ILE 47 3.051 -1.003 3.426 347 HG22 ILE 47 HG22 ILE 47 1.850 -0.794 4.697 348 HG23 ILE 47 HG23 ILE 47 3.381 -1.595 5.055 349 HD11 ILE 47 HD11 ILE 47 2.626 0.645 2.141 350 HD12 ILE 47 HD12 ILE 47 4.129 1.571 2.231 351 HD13 ILE 47 HD13 ILE 47 2.591 2.401 1.990 352 H ASP 48 HN ASP 48 5.742 0.047 6.889 353 HA ASP 48 HA ASP 48 5.575 -2.655 7.352 354 HB2 ASP 48 HB2 ASP 48 7.651 -1.229 7.058 355 HB3 ASP 48 HB1 ASP 48 7.479 -0.701 8.723 356 H LYS 49 HN LYS 49 5.607 -0.066 9.784 357 HA LYS 49 HA LYS 49 5.113 -1.878 11.985 358 HB2 LYS 49 HB2 LYS 49 5.441 1.118 11.812 359 HB3 LYS 49 HB1 LYS 49 4.878 0.375 13.300 360 HG2 LYS 49 HG2 LYS 49 7.210 0.653 13.563 361 HG3 LYS 49 HG1 LYS 49 6.958 -1.070 13.276 362 HD2 LYS 49 HD2 LYS 49 7.610 -0.683 10.862 363 HD3 LYS 49 HD1 LYS 49 7.982 0.995 11.280 364 HE2 LYS 49 HE2 LYS 49 9.358 -1.511 12.303 365 HE3 LYS 49 HE1 LYS 49 10.046 -0.239 11.291 366 HZ1 LYS 49 HZ1 LYS 49 9.744 1.307 13.163 367 HZ2 LYS 49 HZ2 LYS 49 10.788 0.034 13.531 368 HZ3 LYS 49 HZ3 LYS 49 9.211 0.024 14.131 369 H ALA 50 HN ALA 50 3.116 0.469 10.166 370 HA ALA 50 HA ALA 50 0.842 0.475 11.769 371 HB1 ALA 50 HB1 ALA 50 1.167 2.022 9.883 372 HB2 ALA 50 HB2 ALA 50 -0.402 1.216 9.785 373 HB3 ALA 50 HB3 ALA 50 0.926 0.693 8.742 374 H PHE 51 HN PHE 51 1.608 -1.722 9.069 375 HA PHE 51 HA PHE 51 -0.742 -3.382 9.532 376 HB2 PHE 51 HB2 PHE 51 1.509 -3.546 7.493 377 HB3 PHE 51 HB1 PHE 51 0.199 -4.724 7.585 378 HD1 PHE 51 HD1 PHE 51 -2.100 -4.109 6.989 379 HD2 PHE 51 HD2 PHE 51 1.075 -1.276 6.655 380 HE1 PHE 51 HE1 PHE 51 -3.513 -2.679 5.582 381 HE2 PHE 51 HE2 PHE 51 -0.342 0.137 5.241 382 HZ PHE 51 HZ PHE 51 -2.628 -0.566 4.705 383 H GLY 52 HN GLY 52 2.390 -3.297 10.815 384 HA2 GLY 52 HA2 GLY 52 3.573 -4.736 12.163 385 HA3 GLY 52 HA1 GLY 52 2.078 -5.631 12.377 386 H ILE 53 HN ILE 53 4.090 -4.996 9.569 387 HA ILE 53 HA ILE 53 4.692 -7.863 9.166 388 HB ILE 53 HB ILE 53 4.463 -7.517 6.700 389 HG12 ILE 53 HG12 ILE 53 3.118 -4.854 7.357 390 HG13 ILE 53 HG11 ILE 53 4.762 -4.979 6.751 391 HG21 ILE 53 HG21 ILE 53 2.606 -8.510 7.939 392 HG22 ILE 53 HG22 ILE 53 1.998 -7.542 6.597 393 HG23 ILE 53 HG23 ILE 53 1.923 -6.912 8.246 394 HD11 ILE 53 HD11 ILE 53 3.879 -6.029 4.706 395 HD12 ILE 53 HD12 ILE 53 3.236 -4.411 4.988 396 HD13 ILE 53 HD13 ILE 53 2.240 -5.824 5.337 397 H LYS 54 HN LYS 54 6.582 -8.118 7.647 398 HA LYS 54 HA LYS 54 8.506 -5.860 7.827 399 HB2 LYS 54 HB2 LYS 54 9.061 -8.851 7.508 400 HB3 LYS 54 HB1 LYS 54 10.292 -7.589 7.506 401 HG2 LYS 54 HG2 LYS 54 9.683 -7.004 9.825 402 HG3 LYS 54 HG1 LYS 54 8.466 -8.279 9.827 403 HD2 LYS 54 HD2 LYS 54 11.454 -8.752 9.463 404 HD3 LYS 54 HD1 LYS 54 10.600 -8.879 11.001 405 HE2 LYS 54 HE2 LYS 54 10.848 -11.104 10.159 406 HE3 LYS 54 HE1 LYS 54 9.155 -10.679 9.942 407 HZ1 LYS 54 HZ1 LYS 54 10.099 -11.827 8.040 408 HZ2 LYS 54 HZ2 LYS 54 11.221 -10.585 7.814 409 HZ3 LYS 54 HZ3 LYS 54 9.571 -10.281 7.622 410 H LEU 55 HN LEU 55 8.079 -4.731 5.960 411 HA LEU 55 HA LEU 55 7.604 -5.882 3.401 412 HB2 LEU 55 HB2 LEU 55 8.585 -3.119 4.192 413 HB3 LEU 55 HB1 LEU 55 8.221 -3.576 2.533 414 HG LEU 55 HG LEU 55 6.200 -3.476 4.820 415 HD11 LEU 55 HD11 LEU 55 5.247 -1.567 3.614 416 HD12 LEU 55 HD12 LEU 55 6.532 -1.659 2.410 417 HD13 LEU 55 HD13 LEU 55 6.914 -1.248 4.084 418 HD21 LEU 55 HD21 LEU 55 4.492 -3.908 3.096 419 HD22 LEU 55 HD22 LEU 55 5.630 -5.246 3.201 420 HD23 LEU 55 HD23 LEU 55 5.753 -4.092 1.875 421 HA PRO 56 HA PRO 56 12.035 -6.614 2.416 422 HB2 PRO 56 HB2 PRO 56 11.682 -8.201 0.274 423 HB3 PRO 56 HB1 PRO 56 11.354 -8.811 1.907 424 HG2 PRO 56 HG2 PRO 56 9.411 -7.798 -0.170 425 HG3 PRO 56 HG1 PRO 56 9.287 -9.240 0.864 426 HD2 PRO 56 HD2 PRO 56 8.049 -6.821 1.431 427 HD3 PRO 56 HD1 PRO 56 8.483 -8.019 2.666 428 H LEU 57 HN LEU 57 11.339 -4.179 2.045 429 HA LEU 57 HA LEU 57 10.752 -3.191 -0.534 430 HB2 LEU 57 HB2 LEU 57 10.492 -1.948 1.663 431 HB3 LEU 57 HB1 LEU 57 12.228 -1.785 1.747 432 HG LEU 57 HG LEU 57 10.894 0.279 1.017 433 HD11 LEU 57 HD11 LEU 57 13.096 -0.581 -0.867 434 HD12 LEU 57 HD12 LEU 57 13.309 0.183 0.708 435 HD13 LEU 57 HD13 LEU 57 12.526 1.070 -0.597 436 HD21 LEU 57 HD21 LEU 57 10.621 -1.239 -1.593 437 HD22 LEU 57 HD22 LEU 57 10.190 0.452 -1.317 438 HD23 LEU 57 HD23 LEU 57 9.312 -0.825 -0.481 439 H GLU 58 HN GLU 58 13.765 -3.940 1.156 440 HA GLU 58 HA GLU 58 15.643 -2.964 -0.681 441 HB2 GLU 58 HB2 GLU 58 17.240 -4.549 0.357 442 HB3 GLU 58 HB1 GLU 58 16.275 -3.721 1.572 443 HG2 GLU 58 HG2 GLU 58 14.847 -5.723 1.808 444 HG3 GLU 58 HG1 GLU 58 15.826 -6.557 0.602 445 H LYS 59 HN LYS 59 13.973 -6.122 -0.565 446 HA LYS 59 HA LYS 59 15.223 -7.417 -2.725 447 HB2 LYS 59 HB2 LYS 59 13.751 -8.581 -1.102 448 HB3 LYS 59 HB1 LYS 59 12.361 -7.705 -1.704 449 HG2 LYS 59 HG2 LYS 59 12.321 -9.969 -2.554 450 HG3 LYS 59 HG1 LYS 59 12.594 -8.851 -3.895 451 HD2 LYS 59 HD2 LYS 59 15.032 -9.399 -3.824 452 HD3 LYS 59 HD1 LYS 59 14.733 -10.526 -2.495 453 HE2 LYS 59 HE2 LYS 59 13.325 -11.901 -3.994 454 HE3 LYS 59 HE1 LYS 59 13.607 -10.760 -5.311 455 HZ1 LYS 59 HZ1 LYS 59 15.659 -12.422 -3.953 456 HZ2 LYS 59 HZ2 LYS 59 15.975 -11.278 -5.159 457 HZ3 LYS 59 HZ3 LYS 59 15.045 -12.641 -5.516 458 H TRP 60 HN TRP 60 12.230 -5.517 -2.577 459 HA TRP 60 HA TRP 60 11.410 -5.682 -5.248 460 HB2 TRP 60 HB2 TRP 60 10.911 -3.415 -3.266 461 HB3 TRP 60 HB1 TRP 60 9.994 -3.701 -4.742 462 HD1 TRP 60 HD1 TRP 60 10.207 -7.078 -3.675 463 HE1 TRP 60 HE1 TRP 60 8.276 -7.761 -2.132 464 HE3 TRP 60 HE3 TRP 60 8.511 -2.428 -2.339 465 HZ2 TRP 60 HZ2 TRP 60 6.297 -6.542 -0.584 466 HZ3 TRP 60 HZ3 TRP 60 6.574 -2.283 -0.819 467 HH2 TRP 60 HH2 TRP 60 5.490 -4.304 0.038 468 H THR 61 HN THR 61 13.423 -3.263 -3.602 469 HA THR 61 HA THR 61 13.840 -1.454 -5.700 470 HB THR 61 HB THR 61 15.693 -2.123 -3.369 471 HG1 THR 61 HG1 THR 61 13.372 -1.319 -3.062 472 HG21 THR 61 HG21 THR 61 16.897 -0.803 -5.064 473 HG22 THR 61 HG22 THR 61 16.568 0.184 -3.638 474 HG23 THR 61 HG23 THR 61 15.591 0.385 -5.096 475 H GLN 62 HN GLN 62 15.735 -4.354 -4.716 476 HA GLN 62 HA GLN 62 17.890 -4.043 -6.542 477 HB2 GLN 62 HB2 GLN 62 16.783 -6.510 -5.155 478 HB3 GLN 62 HB1 GLN 62 18.287 -6.503 -6.070 479 HG2 GLN 62 HG2 GLN 62 19.327 -5.004 -4.496 480 HG3 GLN 62 HG1 GLN 62 17.797 -4.733 -3.662 481 HE21 GLN 62 HE21 GLN 62 18.582 -5.437 -1.664 482 HE22 GLN 62 HE22 GLN 62 18.947 -7.095 -1.335 483 H GLU 63 HN GLU 63 14.817 -5.785 -6.693 484 HA GLU 63 HA GLU 63 15.169 -7.120 -9.150 485 HB2 GLU 63 HB2 GLU 63 12.617 -6.284 -7.715 486 HB3 GLU 63 HB1 GLU 63 12.670 -7.384 -9.097 487 HG2 GLU 63 HG2 GLU 63 13.981 -8.993 -7.832 488 HG3 GLU 63 HG1 GLU 63 14.078 -7.892 -6.460 489 H VAL 64 HN VAL 64 13.712 -3.961 -8.393 490 HA VAL 64 HA VAL 64 12.881 -3.349 -11.035 491 HB VAL 64 HB VAL 64 13.485 -1.498 -8.691 492 HG11 VAL 64 HG11 VAL 64 12.141 -0.827 -11.337 493 HG12 VAL 64 HG12 VAL 64 13.701 -0.222 -10.770 494 HG13 VAL 64 HG13 VAL 64 12.219 0.244 -9.935 495 HG21 VAL 64 HG21 VAL 64 11.024 -1.383 -8.438 496 HG22 VAL 64 HG22 VAL 64 11.590 -3.046 -8.301 497 HG23 VAL 64 HG23 VAL 64 10.820 -2.501 -9.790 498 H ASN 65 HN ASN 65 15.844 -2.416 -9.209 499 HA ASN 65 HA ASN 65 17.210 -1.039 -11.218 500 HB2 ASN 65 HB2 ASN 65 18.263 -2.656 -8.860 501 HB3 ASN 65 HB1 ASN 65 19.365 -1.867 -9.982 502 HD21 ASN 65 HD21 ASN 65 17.323 -1.421 -7.264 503 HD22 ASN 65 HD22 ASN 65 17.537 0.279 -7.092 504 H ASP 66 HN ASP 66 17.188 -4.558 -10.567 505 HA ASP 66 HA ASP 66 19.221 -5.090 -12.571 506 HB2 ASP 66 HB2 ASP 66 19.095 -6.269 -10.332 507 HB3 ASP 66 HB1 ASP 66 17.640 -7.079 -10.885 508 H GLY 67 HN GLY 67 16.051 -4.421 -12.958 509 HA2 GLY 67 HA2 GLY 67 14.502 -4.775 -14.588 510 HA3 GLY 67 HA1 GLY 67 15.765 -5.569 -15.514 511 H LYS 68 HN LYS 68 15.071 -6.939 -12.422 512 HA LYS 68 HA LYS 68 13.949 -9.384 -13.441 513 HB2 LYS 68 HB2 LYS 68 13.841 -8.327 -10.582 514 HB3 LYS 68 HB1 LYS 68 13.634 -10.006 -11.089 515 HG2 LYS 68 HG2 LYS 68 16.013 -10.074 -11.769 516 HG3 LYS 68 HG1 LYS 68 16.201 -8.387 -11.262 517 HD2 LYS 68 HD2 LYS 68 15.536 -9.077 -8.932 518 HD3 LYS 68 HD1 LYS 68 15.494 -10.757 -9.476 519 HE2 LYS 68 HE2 LYS 68 17.926 -8.938 -9.424 520 HE3 LYS 68 HE1 LYS 68 17.595 -10.282 -8.328 521 HZ1 LYS 68 HZ1 LYS 68 19.113 -11.014 -9.979 522 HZ2 LYS 68 HZ2 LYS 68 18.154 -10.435 -11.238 523 HZ3 LYS 68 HZ3 LYS 68 17.631 -11.754 -10.313 524 H ALA 69 HN ALA 69 12.755 -6.380 -12.138 525 HA ALA 69 HA ALA 69 10.017 -6.887 -12.992 526 HB1 ALA 69 HB1 ALA 69 9.070 -6.170 -10.807 527 HB2 ALA 69 HB2 ALA 69 10.697 -6.101 -10.118 528 HB3 ALA 69 HB3 ALA 69 10.019 -7.649 -10.626 529 H THR 70 HN THR 70 8.793 -4.820 -12.779 530 HA THR 70 HA THR 70 10.481 -2.410 -13.140 531 HB THR 70 HB THR 70 8.343 -1.637 -14.532 532 HG1 THR 70 HG1 THR 70 6.963 -3.168 -14.909 533 HG21 THR 70 HG21 THR 70 10.317 -3.629 -15.703 534 HG22 THR 70 HG22 THR 70 10.589 -1.891 -15.536 535 HG23 THR 70 HG23 THR 70 9.330 -2.489 -16.618 536 H THR 71 HN THR 71 9.228 -0.355 -12.671 537 HA THR 71 HA THR 71 8.959 -0.317 -9.901 538 HB THR 71 HB THR 71 8.086 2.084 -10.180 539 HG1 THR 71 HG1 THR 71 8.580 2.683 -12.571 540 HG21 THR 71 HG21 THR 71 10.489 1.616 -9.910 541 HG22 THR 71 HG22 THR 71 10.247 2.951 -11.037 542 HG23 THR 71 HG23 THR 71 10.646 1.345 -11.643 543 H GLU 72 HN GLU 72 6.299 0.095 -12.312 544 HA GLU 72 HA GLU 72 4.258 0.710 -10.551 545 HB2 GLU 72 HB2 GLU 72 2.689 0.304 -12.324 546 HB3 GLU 72 HB1 GLU 72 4.157 0.934 -13.053 547 HG2 GLU 72 HG2 GLU 72 3.159 -1.930 -13.102 548 HG3 GLU 72 HG1 GLU 72 3.211 -0.799 -14.451 549 H GLN 73 HN GLN 73 5.528 -2.435 -11.278 550 HA GLN 73 HA GLN 73 3.450 -4.101 -10.425 551 HB2 GLN 73 HB2 GLN 73 5.514 -4.661 -11.834 552 HB3 GLN 73 HB1 GLN 73 6.428 -4.743 -10.336 553 HG2 GLN 73 HG2 GLN 73 3.975 -6.454 -10.527 554 HG3 GLN 73 HG1 GLN 73 5.340 -6.902 -11.550 555 HE21 GLN 73 HE21 GLN 73 7.312 -7.501 -10.555 556 HE22 GLN 73 HE22 GLN 73 7.358 -8.061 -8.921 557 H TYR 74 HN TYR 74 5.896 -2.401 -8.557 558 HA TYR 74 HA TYR 74 4.716 -3.465 -6.050 559 HB2 TYR 74 HB2 TYR 74 7.433 -2.115 -6.415 560 HB3 TYR 74 HB1 TYR 74 6.803 -2.804 -4.917 561 HD1 TYR 74 HD2 TYR 74 6.051 -5.379 -5.136 562 HD2 TYR 74 HD1 TYR 74 8.941 -3.466 -7.647 563 HE1 TYR 74 HE2 TYR 74 7.001 -7.564 -5.710 564 HE2 TYR 74 HE1 TYR 74 9.879 -5.661 -8.224 565 HH TYR 74 HH TYR 74 9.950 -7.955 -7.257 566 H PHE 75 HN PHE 75 5.115 -0.553 -7.975 567 HA PHE 75 HA PHE 75 4.796 1.195 -5.620 568 HB2 PHE 75 HB2 PHE 75 6.158 1.664 -8.307 569 HB3 PHE 75 HB1 PHE 75 5.854 2.952 -7.150 570 HD1 PHE 75 HD2 PHE 75 7.881 -0.113 -7.773 571 HD2 PHE 75 HD1 PHE 75 7.243 3.214 -5.165 572 HE1 PHE 75 HE2 PHE 75 10.036 -0.552 -6.690 573 HE2 PHE 75 HE1 PHE 75 9.408 2.766 -4.098 574 HZ PHE 75 HZ PHE 75 10.808 0.892 -4.852 575 H VAL 76 HN VAL 76 2.702 -0.101 -7.669 576 HA VAL 76 HA VAL 76 1.102 2.406 -7.868 577 HB VAL 76 HB VAL 76 0.635 -0.301 -9.217 578 HG11 VAL 76 HG11 VAL 76 -1.216 2.121 -9.243 579 HG12 VAL 76 HG12 VAL 76 -1.550 0.564 -8.476 580 HG13 VAL 76 HG13 VAL 76 -1.411 0.668 -10.234 581 HG21 VAL 76 HG21 VAL 76 2.270 1.165 -10.345 582 HG22 VAL 76 HG22 VAL 76 1.075 2.458 -10.414 583 HG23 VAL 76 HG23 VAL 76 0.813 0.962 -11.314 584 H LEU 77 HN LEU 77 -0.800 2.530 -6.722 585 HA LEU 77 HA LEU 77 -0.702 1.609 -4.133 586 HB2 LEU 77 HB2 LEU 77 -2.656 3.147 -5.769 587 HB3 LEU 77 HB1 LEU 77 -3.341 2.397 -4.346 588 HG LEU 77 HG LEU 77 -2.669 4.720 -3.928 589 HD11 LEU 77 HD11 LEU 77 -2.746 3.171 -2.062 590 HD12 LEU 77 HD12 LEU 77 -1.481 4.373 -1.829 591 HD13 LEU 77 HD13 LEU 77 -1.052 2.729 -2.316 592 HD21 LEU 77 HD21 LEU 77 -0.316 5.399 -3.827 593 HD22 LEU 77 HD22 LEU 77 -0.773 4.913 -5.454 594 HD23 LEU 77 HD23 LEU 77 0.185 3.823 -4.451 595 H LYS 78 HN LYS 78 -2.643 0.227 -6.782 596 HA LYS 78 HA LYS 78 -4.080 -1.634 -5.132 597 HB2 LYS 78 HB2 LYS 78 -4.678 -2.774 -7.290 598 HB3 LYS 78 HB1 LYS 78 -4.989 -1.040 -7.317 599 HG2 LYS 78 HG2 LYS 78 -2.914 -0.667 -8.574 600 HG3 LYS 78 HG1 LYS 78 -2.571 -2.397 -8.533 601 HD2 LYS 78 HD2 LYS 78 -4.589 -2.822 -9.898 602 HD3 LYS 78 HD1 LYS 78 -4.940 -1.089 -9.920 603 HE2 LYS 78 HE2 LYS 78 -2.783 -0.689 -11.110 604 HE3 LYS 78 HE1 LYS 78 -2.470 -2.425 -11.102 605 HZ1 LYS 78 HZ1 LYS 78 -3.350 -1.746 -13.208 606 HZ2 LYS 78 HZ2 LYS 78 -4.709 -1.055 -12.474 607 HZ3 LYS 78 HZ3 LYS 78 -4.484 -2.730 -12.421 608 H ASN 79 HN ASN 79 -1.087 -1.902 -7.085 609 HA ASN 79 HA ASN 79 -0.650 -4.692 -6.651 610 HB2 ASN 79 HB2 ASN 79 1.310 -2.502 -7.457 611 HB3 ASN 79 HB1 ASN 79 1.702 -4.218 -7.442 612 HD21 ASN 79 HD21 ASN 79 1.992 -4.627 -9.547 613 HD22 ASN 79 HD22 ASN 79 0.844 -4.325 -10.797 614 H LEU 80 HN LEU 80 0.505 -1.788 -5.117 615 HA LEU 80 HA LEU 80 2.345 -2.844 -3.283 616 HB2 LEU 80 HB2 LEU 80 2.246 -0.446 -3.948 617 HB3 LEU 80 HB1 LEU 80 0.696 -0.284 -3.143 618 HG LEU 80 HG LEU 80 1.785 -0.707 -0.948 619 HD11 LEU 80 HD11 LEU 80 3.646 -2.121 -1.625 620 HD12 LEU 80 HD12 LEU 80 4.235 -0.727 -0.726 621 HD13 LEU 80 HD13 LEU 80 4.401 -0.774 -2.483 622 HD21 LEU 80 HD21 LEU 80 2.963 1.443 -0.747 623 HD22 LEU 80 HD22 LEU 80 1.487 1.605 -1.696 624 HD23 LEU 80 HD23 LEU 80 3.055 1.569 -2.508 625 H ALA 81 HN ALA 81 -1.081 -1.869 -2.942 626 HA ALA 81 HA ALA 81 -1.462 -2.645 -0.257 627 HB1 ALA 81 HB1 ALA 81 -3.035 -1.179 -1.456 628 HB2 ALA 81 HB2 ALA 81 -3.871 -2.554 -0.730 629 HB3 ALA 81 HB3 ALA 81 -3.541 -2.533 -2.466 630 H ALA 82 HN ALA 82 -1.631 -4.486 -3.263 631 HA ALA 82 HA ALA 82 -2.717 -6.885 -2.200 632 HB1 ALA 82 HB1 ALA 82 -1.899 -7.940 -4.265 633 HB2 ALA 82 HB2 ALA 82 -0.928 -6.509 -4.630 634 HB3 ALA 82 HB3 ALA 82 -2.689 -6.403 -4.614 635 H ARG 83 HN ARG 83 0.674 -5.872 -2.852 636 HA ARG 83 HA ARG 83 2.084 -8.099 -1.966 637 HB2 ARG 83 HB2 ARG 83 2.849 -5.159 -1.718 638 HB3 ARG 83 HB1 ARG 83 3.975 -6.487 -1.456 639 HG2 ARG 83 HG2 ARG 83 2.561 -6.014 -4.110 640 HG3 ARG 83 HG1 ARG 83 4.110 -5.285 -3.692 641 HD2 ARG 83 HD2 ARG 83 4.690 -7.172 -4.964 642 HD3 ARG 83 HD1 ARG 83 4.949 -7.691 -3.302 643 HE ARG 83 HE ARG 83 2.389 -8.507 -3.911 644 HH11 ARG 83 HH11 ARG 83 5.570 -9.129 -5.268 645 HH12 ARG 83 HH12 ARG 83 5.124 -10.692 -5.871 646 HH21 ARG 83 HH21 ARG 83 1.861 -10.561 -4.711 647 HH22 ARG 83 HH22 ARG 83 3.047 -11.497 -5.551 648 H ILE 84 HN ILE 84 1.077 -5.276 -0.131 649 HA ILE 84 HA ILE 84 2.197 -5.901 2.399 650 HB ILE 84 HB ILE 84 -0.080 -4.058 1.551 651 HG12 ILE 84 HG12 ILE 84 2.789 -3.323 2.277 652 HG13 ILE 84 HG11 ILE 84 2.275 -3.649 0.625 653 HG21 ILE 84 HG21 ILE 84 -0.334 -4.558 3.943 654 HG22 ILE 84 HG22 ILE 84 0.161 -2.886 3.698 655 HG23 ILE 84 HG23 ILE 84 1.339 -4.080 4.238 656 HD11 ILE 84 HD11 ILE 84 1.199 -1.458 2.391 657 HD12 ILE 84 HD12 ILE 84 0.749 -1.768 0.710 658 HD13 ILE 84 HD13 ILE 84 2.395 -1.275 1.108 659 H ASP 85 HN ASP 85 -1.073 -6.292 1.036 660 HA ASP 85 HA ASP 85 -2.408 -7.375 3.266 661 HB2 ASP 85 HB2 ASP 85 -3.525 -6.451 1.248 662 HB3 ASP 85 HB1 ASP 85 -2.948 -7.805 0.291 663 H GLU 86 HN GLU 86 -0.522 -8.916 0.713 664 HA GLU 86 HA GLU 86 -0.979 -11.641 1.359 665 HB2 GLU 86 HB2 GLU 86 1.361 -10.256 -0.002 666 HB3 GLU 86 HB1 GLU 86 1.222 -12.007 0.122 667 HG2 GLU 86 HG2 GLU 86 -0.711 -10.173 -1.326 668 HG3 GLU 86 HG1 GLU 86 0.527 -11.176 -2.078 669 H LEU 87 HN LEU 87 1.521 -9.324 2.375 670 HA LEU 87 HA LEU 87 2.970 -11.163 4.021 671 HB2 LEU 87 HB2 LEU 87 2.992 -8.122 4.123 672 HB3 LEU 87 HB1 LEU 87 4.198 -9.193 4.834 673 HG LEU 87 HG LEU 87 3.662 -8.788 1.865 674 HD11 LEU 87 HD11 LEU 87 5.884 -7.829 1.770 675 HD12 LEU 87 HD12 LEU 87 6.094 -8.072 3.508 676 HD13 LEU 87 HD13 LEU 87 4.869 -6.950 2.911 677 HD21 LEU 87 HD21 LEU 87 5.560 -10.308 1.433 678 HD22 LEU 87 HD22 LEU 87 4.224 -11.134 2.226 679 HD23 LEU 87 HD23 LEU 87 5.653 -10.684 3.156 680 H VAL 88 HN VAL 88 0.238 -9.030 4.596 681 HA VAL 88 HA VAL 88 0.115 -9.261 7.433 682 HB VAL 88 HB VAL 88 -2.068 -8.636 5.389 683 HG11 VAL 88 HG11 VAL 88 -3.456 -7.813 7.283 684 HG12 VAL 88 HG12 VAL 88 -2.251 -8.414 8.423 685 HG13 VAL 88 HG13 VAL 88 -3.152 -9.551 7.418 686 HG21 VAL 88 HG21 VAL 88 -0.525 -6.808 7.286 687 HG22 VAL 88 HG22 VAL 88 -1.782 -6.297 6.158 688 HG23 VAL 88 HG23 VAL 88 -0.256 -6.937 5.549 689 H ALA 89 HN ALA 89 -1.214 -11.189 4.778 690 HA ALA 89 HA ALA 89 -2.490 -13.177 6.378 691 HB1 ALA 89 HB1 ALA 89 -3.044 -12.877 4.000 692 HB2 ALA 89 HB2 ALA 89 -2.536 -14.538 4.323 693 HB3 ALA 89 HB3 ALA 89 -1.424 -13.407 3.543 694 H ALA 90 HN ALA 90 0.809 -12.786 5.137 695 HA ALA 90 HA ALA 90 1.832 -15.333 5.807 696 HB1 ALA 90 HB1 ALA 90 4.050 -14.317 5.489 697 HB2 ALA 90 HB2 ALA 90 3.330 -12.705 5.520 698 HB3 ALA 90 HB3 ALA 90 2.941 -13.818 4.208 699 H LYS 91 HN LYS 91 1.665 -12.262 7.643 700 HA LYS 91 HA LYS 91 3.066 -13.346 9.950 701 HB2 LYS 91 HB2 LYS 91 2.874 -11.147 10.930 702 HB3 LYS 91 HB1 LYS 91 3.287 -10.931 9.235 703 HG2 LYS 91 HG2 LYS 91 1.692 -9.284 9.464 704 HG3 LYS 91 HG1 LYS 91 0.676 -10.621 8.939 705 HD2 LYS 91 HD2 LYS 91 0.206 -11.052 11.437 706 HD3 LYS 91 HD1 LYS 91 0.993 -9.506 11.750 707 HE2 LYS 91 HE2 LYS 91 -1.467 -9.912 10.012 708 HE3 LYS 91 HE1 LYS 91 -1.457 -9.282 11.663 709 HZ1 LYS 91 HZ1 LYS 91 -0.132 -7.427 10.913 710 HZ2 LYS 91 HZ2 LYS 91 -1.575 -7.512 10.038 711 HZ3 LYS 91 HZ3 LYS 91 -0.125 -8.023 9.333 712 H GLY 92 HN GLY 92 -0.142 -13.041 8.733 713 HA2 GLY 92 HA2 GLY 92 -1.640 -13.348 11.155 714 HA3 GLY 92 HA1 GLY 92 -2.230 -13.555 9.513 715 H ALA 93 HN ALA 93 -0.131 -15.531 8.838 716 HA ALA 93 HA ALA 93 -0.955 -17.931 10.271 717 HB1 ALA 93 HB1 ALA 93 -0.500 -18.047 7.849 718 HB2 ALA 93 HB2 ALA 93 0.609 -19.084 8.744 719 HB3 ALA 93 HB3 ALA 93 1.166 -17.526 8.127 720 H LEU 94 HN LEU 94 2.351 -16.876 9.497 721 HA LEU 94 HA LEU 94 3.193 -15.995 12.033 722 HB2 LEU 94 HB2 LEU 94 3.791 -18.893 11.399 723 HB3 LEU 94 HB1 LEU 94 5.063 -17.954 12.156 724 HG LEU 94 HG LEU 94 2.321 -18.549 13.342 725 HD11 LEU 94 HD11 LEU 94 3.843 -20.468 13.403 726 HD12 LEU 94 HD12 LEU 94 3.554 -19.830 15.022 727 HD13 LEU 94 HD13 LEU 94 5.079 -19.483 14.197 728 HD21 LEU 94 HD21 LEU 94 4.576 -16.900 14.539 729 HD22 LEU 94 HD22 LEU 94 3.084 -17.371 15.361 730 HD23 LEU 94 HD23 LEU 94 3.019 -16.283 13.976 731 H GLU 95 HN GLU 95 4.706 -14.521 11.469 732 HA GLU 95 HA GLU 95 6.611 -15.086 9.254 733 HB2 GLU 95 HB2 GLU 95 5.067 -13.260 8.617 734 HB3 GLU 95 HB1 GLU 95 5.443 -12.395 10.105 735 HG2 GLU 95 HG2 GLU 95 7.825 -12.194 9.314 736 HG3 GLU 95 HG1 GLU 95 7.331 -12.948 7.797 737 H HIS 96 HN HIS 96 6.214 -12.945 12.103 738 HA HIS 96 HA HIS 96 8.715 -13.918 13.289 739 HB2 HIS 96 HB2 HIS 96 9.265 -11.893 11.811 740 HB3 HIS 96 HB1 HIS 96 8.237 -10.926 12.856 741 HD1 HIS 96 HD1 HIS 96 11.589 -12.573 12.691 742 HD2 HIS 96 HD2 HIS 96 9.411 -10.246 15.354 743 HE1 HIS 96 HE1 HIS 96 13.212 -11.899 14.484 744 HE2 HIS 96 HE2 HIS 96 11.837 -10.627 16.167 745 H HIS 97 HN HIS 97 6.172 -14.521 13.987 746 HA HIS 97 HA HIS 97 5.029 -14.982 15.866 747 HB2 HIS 97 HB2 HIS 97 7.007 -14.825 17.229 748 HB3 HIS 97 HB1 HIS 97 6.964 -13.065 17.210 749 HD1 HIS 97 HD1 HIS 97 5.017 -16.011 18.639 750 HD2 HIS 97 HD2 HIS 97 5.566 -11.946 19.320 751 HE1 HIS 97 HE1 HIS 97 3.783 -15.513 20.770 752 HE2 HIS 97 HE2 HIS 97 4.004 -13.026 21.082 753 H HIS 98 HN HIS 98 5.474 -11.487 15.306 754 HA HIS 98 HA HIS 98 3.249 -10.675 16.883 755 HB2 HIS 98 HB2 HIS 98 5.192 -9.192 16.523 756 HB3 HIS 98 HB1 HIS 98 4.825 -9.101 14.804 757 HD1 HIS 98 HD1 HIS 98 3.366 -8.097 18.161 758 HD2 HIS 98 HD2 HIS 98 3.023 -7.133 14.134 759 HE1 HIS 98 HE1 HIS 98 1.836 -6.107 18.073 760 HE2 HIS 98 HE2 HIS 98 1.514 -5.651 15.620 761 H HIS 99 HN HIS 99 1.345 -11.478 16.278 762 HA HIS 99 HA HIS 99 0.258 -11.175 13.580 763 HB2 HIS 99 HB2 HIS 99 -0.889 -12.217 16.204 764 HB3 HIS 99 HB1 HIS 99 -1.883 -12.012 14.766 765 HD1 HIS 99 HD1 HIS 99 -2.378 -14.347 14.125 766 HD2 HIS 99 HD2 HIS 99 1.667 -13.797 14.910 767 HE1 HIS 99 HE1 HIS 99 -1.279 -16.528 13.544 768 HE2 HIS 99 HE2 HIS 99 1.177 -16.104 13.834 769 H HIS 100 HN HIS 100 -2.157 -10.228 13.694 770 HA HIS 100 HA HIS 100 -2.150 -7.662 15.181 771 HB2 HIS 100 HB2 HIS 100 -2.277 -7.467 12.669 772 HB3 HIS 100 HB1 HIS 100 -3.780 -8.385 12.699 773 HD1 HIS 100 HD1 HIS 100 -2.347 -5.032 13.595 774 HD2 HIS 100 HD2 HIS 100 -6.028 -6.949 13.552 775 HE1 HIS 100 HE1 HIS 100 -4.050 -3.222 13.967 776 HE2 HIS 100 HE2 HIS 100 -6.242 -4.450 14.139 777 H HIS 101 HN HIS 101 -2.805 -8.732 17.063 778 HA HIS 101 HA HIS 101 -5.569 -9.787 17.166 779 HB2 HIS 101 HB2 HIS 101 -3.843 -11.393 17.924 780 HB3 HIS 101 HB1 HIS 101 -3.216 -10.218 19.072 781 HD1 HIS 101 HD1 HIS 101 -5.981 -12.648 18.539 782 HD2 HIS 101 HD2 HIS 101 -4.747 -9.944 21.431 783 HE1 HIS 101 HE1 HIS 101 -7.249 -13.271 20.606 784 HE2 HIS 101 HE2 HIS 101 -6.424 -11.675 22.376 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -15.841 -3.037 5.604 2 H2 MET 1 HT2 MET 1 -15.119 -3.940 4.377 3 H3 MET 1 HT3 MET 1 -16.673 -3.310 4.156 4 HA MET 1 HA MET 1 -15.025 -2.050 2.938 5 HB2 MET 1 HB2 MET 1 -15.699 0.179 3.705 6 HB3 MET 1 HB1 MET 1 -17.065 -0.920 3.823 7 HG2 MET 1 HG2 MET 1 -16.634 -1.129 6.266 8 HG3 MET 1 HG1 MET 1 -15.333 0.055 6.107 9 HE1 MET 1 HE1 MET 1 -18.871 0.022 4.253 10 HE2 MET 1 HE2 MET 1 -19.807 1.004 5.376 11 HE3 MET 1 HE3 MET 1 -19.212 -0.579 5.878 12 H THR 2 HN THR 2 -13.556 0.017 3.479 13 HA THR 2 HA THR 2 -11.505 0.756 3.992 14 HB THR 2 HB THR 2 -11.874 -0.678 6.659 15 HG1 THR 2 HG1 THR 2 -12.446 1.611 7.249 16 HG21 THR 2 HG21 THR 2 -10.061 1.656 5.925 17 HG22 THR 2 HG22 THR 2 -9.527 0.012 6.287 18 HG23 THR 2 HG23 THR 2 -10.282 0.992 7.544 19 H SER 3 HN SER 3 -10.557 -0.470 2.344 20 HA SER 3 HA SER 3 -9.612 -3.165 2.695 21 HB2 SER 3 HB2 SER 3 -8.672 -2.818 0.383 22 HB3 SER 3 HB1 SER 3 -10.380 -2.396 0.485 23 HG SER 3 HG SER 3 -9.910 -0.398 0.035 24 H THR 4 HN THR 4 -7.214 -3.584 1.973 25 HA THR 4 HA THR 4 -5.359 -2.359 3.728 26 HB THR 4 HB THR 4 -4.782 -3.942 1.181 27 HG1 THR 4 HG1 THR 4 -5.186 -5.681 2.348 28 HG21 THR 4 HG21 THR 4 -2.776 -2.773 2.016 29 HG22 THR 4 HG22 THR 4 -2.640 -4.510 2.282 30 HG23 THR 4 HG23 THR 4 -3.042 -3.445 3.631 31 H PHE 5 HN PHE 5 -6.118 -1.866 0.266 32 HA PHE 5 HA PHE 5 -4.298 0.154 -0.376 33 HB2 PHE 5 HB2 PHE 5 -5.526 -0.673 -2.230 34 HB3 PHE 5 HB1 PHE 5 -7.077 -0.479 -1.425 35 HD1 PHE 5 HD1 PHE 5 -4.197 1.704 -2.543 36 HD2 PHE 5 HD2 PHE 5 -8.439 1.285 -2.187 37 HE1 PHE 5 HE1 PHE 5 -4.510 3.932 -3.525 38 HE2 PHE 5 HE2 PHE 5 -8.737 3.518 -3.183 39 HZ PHE 5 HZ PHE 5 -6.771 4.844 -3.844 40 H ASP 6 HN ASP 6 -7.554 0.458 1.025 41 HA ASP 6 HA ASP 6 -7.863 3.205 1.179 42 HB2 ASP 6 HB2 ASP 6 -9.602 1.504 1.772 43 HB3 ASP 6 HB1 ASP 6 -8.739 1.150 3.258 44 H ARG 7 HN ARG 7 -6.392 1.019 3.573 45 HA ARG 7 HA ARG 7 -5.654 3.033 5.435 46 HB2 ARG 7 HB2 ARG 7 -4.769 0.146 5.152 47 HB3 ARG 7 HB1 ARG 7 -4.310 1.181 6.499 48 HG2 ARG 7 HG2 ARG 7 -7.160 0.405 5.787 49 HG3 ARG 7 HG1 ARG 7 -6.187 -0.332 7.061 50 HD2 ARG 7 HD2 ARG 7 -7.567 1.206 8.206 51 HD3 ARG 7 HD1 ARG 7 -6.018 2.047 8.075 52 HE ARG 7 HE ARG 7 -8.029 2.605 6.003 53 HH11 ARG 7 HH11 ARG 7 -6.394 3.757 8.902 54 HH12 ARG 7 HH12 ARG 7 -7.082 5.346 8.792 55 HH21 ARG 7 HH21 ARG 7 -8.865 4.699 5.847 56 HH22 ARG 7 HH22 ARG 7 -8.474 5.878 7.068 57 H VAL 8 HN VAL 8 -3.811 1.408 2.818 58 HA VAL 8 HA VAL 8 -1.228 2.355 3.607 59 HB VAL 8 HB VAL 8 -2.262 1.203 0.973 60 HG11 VAL 8 HG11 VAL 8 0.114 0.955 0.255 61 HG12 VAL 8 HG12 VAL 8 0.622 1.900 1.656 62 HG13 VAL 8 HG13 VAL 8 -0.364 2.650 0.401 63 HG21 VAL 8 HG21 VAL 8 -2.187 -0.382 2.868 64 HG22 VAL 8 HG22 VAL 8 -0.482 -0.009 3.122 65 HG23 VAL 8 HG23 VAL 8 -0.995 -0.814 1.638 66 H ALA 9 HN ALA 9 -3.683 3.445 1.340 67 HA ALA 9 HA ALA 9 -2.327 5.620 0.150 68 HB1 ALA 9 HB1 ALA 9 -4.564 6.369 -0.587 69 HB2 ALA 9 HB2 ALA 9 -5.319 5.208 0.507 70 HB3 ALA 9 HB3 ALA 9 -4.354 4.635 -0.854 71 H THR 10 HN THR 10 -4.408 5.307 3.024 72 HA THR 10 HA THR 10 -4.463 8.002 3.821 73 HB THR 10 HB THR 10 -4.695 5.497 5.554 74 HG1 THR 10 HG1 THR 10 -6.551 5.381 4.562 75 HG21 THR 10 HG21 THR 10 -4.206 7.482 6.973 76 HG22 THR 10 HG22 THR 10 -5.856 6.909 7.216 77 HG23 THR 10 HG23 THR 10 -5.563 8.339 6.228 78 H ILE 11 HN ILE 11 -2.199 5.358 4.688 79 HA ILE 11 HA ILE 11 -0.508 6.765 6.404 80 HB ILE 11 HB ILE 11 0.167 4.466 4.512 81 HG12 ILE 11 HG12 ILE 11 -0.428 4.430 7.506 82 HG13 ILE 11 HG11 ILE 11 -1.592 4.014 6.258 83 HG21 ILE 11 HG21 ILE 11 2.161 4.033 5.926 84 HG22 ILE 11 HG22 ILE 11 1.831 5.506 6.838 85 HG23 ILE 11 HG23 ILE 11 2.262 5.606 5.130 86 HD11 ILE 11 HD11 ILE 11 -0.683 2.034 7.277 87 HD12 ILE 11 HD12 ILE 11 0.958 2.531 6.869 88 HD13 ILE 11 HD13 ILE 11 -0.186 2.125 5.588 89 H ILE 12 HN ILE 12 -0.248 6.391 2.834 90 HA ILE 12 HA ILE 12 2.098 7.858 2.411 91 HB ILE 12 HB ILE 12 -0.317 7.639 0.549 92 HG12 ILE 12 HG12 ILE 12 2.232 5.969 0.684 93 HG13 ILE 12 HG11 ILE 12 0.619 5.432 1.134 94 HG21 ILE 12 HG21 ILE 12 1.193 8.212 -1.312 95 HG22 ILE 12 HG22 ILE 12 2.531 8.440 -0.185 96 HG23 ILE 12 HG23 ILE 12 1.140 9.522 -0.132 97 HD11 ILE 12 HD11 ILE 12 1.591 6.124 -1.638 98 HD12 ILE 12 HD12 ILE 12 -0.071 5.682 -1.234 99 HD13 ILE 12 HD13 ILE 12 1.234 4.521 -0.998 100 H ALA 13 HN ALA 13 -1.296 8.927 2.477 101 HA ALA 13 HA ALA 13 -1.006 11.641 2.041 102 HB1 ALA 13 HB1 ALA 13 -3.166 10.480 2.057 103 HB2 ALA 13 HB2 ALA 13 -3.200 11.885 3.125 104 HB3 ALA 13 HB3 ALA 13 -3.047 10.263 3.804 105 H GLU 14 HN GLU 14 -0.980 9.944 5.233 106 HA GLU 14 HA GLU 14 -0.640 12.244 6.821 107 HB2 GLU 14 HB2 GLU 14 0.155 9.382 7.492 108 HB3 GLU 14 HB1 GLU 14 -0.068 10.691 8.651 109 HG2 GLU 14 HG2 GLU 14 -2.189 9.305 6.993 110 HG3 GLU 14 HG1 GLU 14 -1.970 9.217 8.735 111 H THR 15 HN THR 15 1.656 10.124 5.202 112 HA THR 15 HA THR 15 3.996 10.962 6.622 113 HB THR 15 HB THR 15 3.783 9.508 3.936 114 HG1 THR 15 HG1 THR 15 3.199 7.865 5.116 115 HG21 THR 15 HG21 THR 15 6.060 10.402 4.292 116 HG22 THR 15 HG22 THR 15 6.056 8.646 4.461 117 HG23 THR 15 HG23 THR 15 6.107 9.665 5.899 118 H CYS 16 HN CYS 16 2.647 11.715 3.369 119 HA CYS 16 HA CYS 16 4.848 13.539 2.765 120 HB2 CYS 16 HB2 CYS 16 2.622 12.458 0.991 121 HB3 CYS 16 HB1 CYS 16 4.072 13.293 0.446 122 HG CYS 16 HG CYS 16 5.811 11.258 1.258 123 H ASP 17 HN ASP 17 2.083 14.059 4.377 124 HA ASP 17 HA ASP 17 0.269 15.417 4.419 125 HB2 ASP 17 HB2 ASP 17 2.090 16.839 5.306 126 HB3 ASP 17 HB1 ASP 17 2.436 17.428 3.687 127 H ILE 18 HN ILE 18 -0.830 14.450 2.633 128 HA ILE 18 HA ILE 18 -1.422 16.289 0.441 129 HB ILE 18 HB ILE 18 -1.344 14.293 -1.242 130 HG12 ILE 18 HG12 ILE 18 0.562 13.184 0.879 131 HG13 ILE 18 HG11 ILE 18 -0.966 12.471 0.394 132 HG21 ILE 18 HG21 ILE 18 0.990 14.725 -1.870 133 HG22 ILE 18 HG22 ILE 18 1.298 15.463 -0.297 134 HG23 ILE 18 HG23 ILE 18 0.168 16.222 -1.424 135 HD11 ILE 18 HD11 ILE 18 1.481 12.744 -1.335 136 HD12 ILE 18 HD12 ILE 18 -0.055 12.033 -1.837 137 HD13 ILE 18 HD13 ILE 18 0.897 11.272 -0.561 138 HA PRO 19 HA PRO 19 -5.634 14.750 1.224 139 HB2 PRO 19 HB2 PRO 19 -6.751 15.154 -1.301 140 HB3 PRO 19 HB1 PRO 19 -6.534 16.428 -0.094 141 HG2 PRO 19 HG2 PRO 19 -4.787 15.720 -2.448 142 HG3 PRO 19 HG1 PRO 19 -5.302 17.325 -1.883 143 HD2 PRO 19 HD2 PRO 19 -2.847 16.387 -1.327 144 HD3 PRO 19 HD1 PRO 19 -3.739 17.353 -0.130 145 H ARG 20 HN ARG 20 -6.182 12.656 1.375 146 HA ARG 20 HA ARG 20 -4.783 10.586 0.060 147 HB2 ARG 20 HB2 ARG 20 -5.705 10.550 2.401 148 HB3 ARG 20 HB1 ARG 20 -7.320 10.369 1.740 149 HG2 ARG 20 HG2 ARG 20 -5.272 8.359 0.899 150 HG3 ARG 20 HG1 ARG 20 -5.792 8.303 2.575 151 HD2 ARG 20 HD2 ARG 20 -7.742 8.216 0.258 152 HD3 ARG 20 HD1 ARG 20 -7.001 6.767 0.955 153 HE ARG 20 HE ARG 20 -8.339 8.508 2.860 154 HH11 ARG 20 HH11 ARG 20 -8.728 5.776 0.699 155 HH12 ARG 20 HH12 ARG 20 -10.066 5.109 1.576 156 HH21 ARG 20 HH21 ARG 20 -10.106 7.614 4.008 157 HH22 ARG 20 HH22 ARG 20 -10.859 6.158 3.437 158 H GLU 21 HN GLU 21 -7.574 12.301 -0.899 159 HA GLU 21 HA GLU 21 -9.027 10.204 -2.242 160 HB2 GLU 21 HB2 GLU 21 -10.434 12.102 -3.081 161 HB3 GLU 21 HB1 GLU 21 -10.243 12.116 -1.330 162 HG2 GLU 21 HG2 GLU 21 -8.543 13.888 -1.503 163 HG3 GLU 21 HG1 GLU 21 -8.673 13.862 -3.262 164 H THR 22 HN THR 22 -6.398 12.346 -3.016 165 HA THR 22 HA THR 22 -6.691 12.127 -5.902 166 HB THR 22 HB THR 22 -4.696 13.553 -6.035 167 HG1 THR 22 HG1 THR 22 -4.495 13.874 -3.270 168 HG21 THR 22 HG21 THR 22 -6.854 14.695 -5.608 169 HG22 THR 22 HG22 THR 22 -5.513 15.558 -4.850 170 HG23 THR 22 HG23 THR 22 -6.584 14.555 -3.867 171 H ILE 23 HN ILE 23 -5.356 10.209 -3.402 172 HA ILE 23 HA ILE 23 -3.364 8.902 -5.116 173 HB ILE 23 HB ILE 23 -4.137 8.413 -2.180 174 HG12 ILE 23 HG12 ILE 23 -1.711 9.087 -1.718 175 HG13 ILE 23 HG11 ILE 23 -1.586 9.595 -3.395 176 HG21 ILE 23 HG21 ILE 23 -2.273 6.773 -2.092 177 HG22 ILE 23 HG22 ILE 23 -2.036 6.959 -3.831 178 HG23 ILE 23 HG23 ILE 23 -3.542 6.277 -3.215 179 HD11 ILE 23 HD11 ILE 23 -3.384 10.778 -1.286 180 HD12 ILE 23 HD12 ILE 23 -3.316 11.286 -2.974 181 HD13 ILE 23 HD13 ILE 23 -1.902 11.477 -1.940 182 H THR 24 HN THR 24 -4.641 7.957 -6.660 183 HA THR 24 HA THR 24 -7.045 6.434 -6.078 184 HB THR 24 HB THR 24 -7.139 6.135 -8.549 185 HG1 THR 24 HG1 THR 24 -4.499 6.654 -8.399 186 HG21 THR 24 HG21 THR 24 -6.447 8.990 -7.769 187 HG22 THR 24 HG22 THR 24 -8.040 8.238 -7.635 188 HG23 THR 24 HG23 THR 24 -7.323 8.511 -9.225 189 HA PRO 25 HA PRO 25 -5.180 2.338 -5.800 190 HB2 PRO 25 HB2 PRO 25 -6.686 0.757 -7.514 191 HB3 PRO 25 HB1 PRO 25 -7.223 1.267 -5.908 192 HG2 PRO 25 HG2 PRO 25 -7.857 2.488 -8.593 193 HG3 PRO 25 HG1 PRO 25 -8.951 2.134 -7.237 194 HD2 PRO 25 HD2 PRO 25 -8.053 4.624 -7.665 195 HD3 PRO 25 HD1 PRO 25 -8.234 3.997 -6.008 196 H GLU 26 HN GLU 26 -5.366 3.839 -8.946 197 HA GLU 26 HA GLU 26 -3.260 2.048 -10.015 198 HB2 GLU 26 HB2 GLU 26 -5.241 3.850 -11.477 199 HB3 GLU 26 HB1 GLU 26 -3.981 2.895 -12.261 200 HG2 GLU 26 HG2 GLU 26 -5.026 0.813 -11.462 201 HG3 GLU 26 HG1 GLU 26 -6.265 1.735 -10.610 202 H SER 27 HN SER 27 -3.241 4.608 -8.200 203 HA SER 27 HA SER 27 -1.530 6.452 -9.578 204 HB2 SER 27 HB2 SER 27 -2.062 5.965 -6.611 205 HB3 SER 27 HB1 SER 27 -0.924 7.186 -7.182 206 HG SER 27 HG SER 27 -2.651 8.111 -8.349 207 H HIS 28 HN HIS 28 0.455 5.981 -10.234 208 HA HIS 28 HA HIS 28 2.111 3.972 -8.944 209 HB2 HIS 28 HB2 HIS 28 2.128 4.435 -11.460 210 HB3 HIS 28 HB1 HIS 28 2.920 5.967 -11.102 211 HD2 HIS 28 HD2 HIS 28 3.716 2.302 -11.587 212 HE1 HIS 28 HE1 HIS 28 7.223 4.108 -10.112 213 HE2 HIS 28 HE2 HIS 28 6.265 2.155 -11.387 214 H ALA 29 HN ALA 29 3.225 4.509 -7.133 215 HA ALA 29 HA ALA 29 3.486 6.742 -5.728 216 HB1 ALA 29 HB1 ALA 29 4.329 4.541 -5.012 217 HB2 ALA 29 HB2 ALA 29 5.528 5.804 -4.728 218 HB3 ALA 29 HB3 ALA 29 5.710 4.708 -6.100 219 H ILE 30 HN ILE 30 5.650 5.971 -8.495 220 HA ILE 30 HA ILE 30 7.337 8.307 -7.837 221 HB ILE 30 HB ILE 30 7.821 5.983 -9.759 222 HG12 ILE 30 HG12 ILE 30 9.126 6.558 -7.055 223 HG13 ILE 30 HG11 ILE 30 7.886 5.341 -7.335 224 HG21 ILE 30 HG21 ILE 30 10.135 6.821 -9.982 225 HG22 ILE 30 HG22 ILE 30 9.722 8.226 -9.000 226 HG23 ILE 30 HG23 ILE 30 8.960 7.997 -10.574 227 HD11 ILE 30 HD11 ILE 30 10.658 5.344 -8.536 228 HD12 ILE 30 HD12 ILE 30 9.415 4.120 -8.809 229 HD13 ILE 30 HD13 ILE 30 10.096 4.344 -7.197 230 H ASP 31 HN ASP 31 5.519 6.808 -10.492 231 HA ASP 31 HA ASP 31 6.177 8.787 -12.466 232 HB2 ASP 31 HB2 ASP 31 5.900 6.496 -13.166 233 HB3 ASP 31 HB1 ASP 31 4.305 6.399 -12.445 234 H ASP 32 HN ASP 32 3.357 8.133 -10.418 235 HA ASP 32 HA ASP 32 1.774 10.266 -11.709 236 HB2 ASP 32 HB2 ASP 32 0.642 8.103 -11.514 237 HB3 ASP 32 HB1 ASP 32 0.978 8.031 -9.790 238 H LEU 33 HN LEU 33 2.280 9.080 -8.351 239 HA LEU 33 HA LEU 33 1.470 11.520 -7.148 240 HB2 LEU 33 HB2 LEU 33 2.883 9.108 -5.965 241 HB3 LEU 33 HB1 LEU 33 2.166 10.404 -5.022 242 HG LEU 33 HG LEU 33 0.636 8.473 -6.820 243 HD11 LEU 33 HD11 LEU 33 1.493 7.346 -4.832 244 HD12 LEU 33 HD12 LEU 33 -0.255 7.523 -4.736 245 HD13 LEU 33 HD13 LEU 33 0.787 8.586 -3.787 246 HD21 LEU 33 HD21 LEU 33 -0.460 10.667 -6.757 247 HD22 LEU 33 HD22 LEU 33 -0.438 10.653 -4.990 248 HD23 LEU 33 HD23 LEU 33 -1.407 9.471 -5.875 249 H GLY 34 HN GLY 34 4.479 10.559 -8.468 250 HA2 GLY 34 HA2 GLY 34 6.440 11.731 -8.744 251 HA3 GLY 34 HA1 GLY 34 5.681 13.092 -7.939 252 H ILE 35 HN ILE 35 6.033 9.981 -6.392 253 HA ILE 35 HA ILE 35 7.346 11.159 -4.098 254 HB ILE 35 HB ILE 35 6.515 8.269 -4.635 255 HG12 ILE 35 HG12 ILE 35 5.077 10.371 -2.955 256 HG13 ILE 35 HG11 ILE 35 4.588 9.875 -4.571 257 HG21 ILE 35 HG21 ILE 35 7.367 9.554 -2.013 258 HG22 ILE 35 HG22 ILE 35 8.292 8.368 -2.936 259 HG23 ILE 35 HG23 ILE 35 6.760 7.907 -2.196 260 HD11 ILE 35 HD11 ILE 35 4.610 8.136 -2.099 261 HD12 ILE 35 HD12 ILE 35 4.156 7.606 -3.721 262 HD13 ILE 35 HD13 ILE 35 3.204 8.835 -2.897 263 H ASP 36 HN ASP 36 9.527 11.234 -3.923 264 HA ASP 36 HA ASP 36 11.357 9.925 -5.646 265 HB2 ASP 36 HB2 ASP 36 11.670 12.118 -4.251 266 HB3 ASP 36 HB1 ASP 36 12.067 11.057 -2.903 267 H SER 37 HN SER 37 13.012 8.342 -5.038 268 HA SER 37 HA SER 37 11.960 5.980 -3.925 269 HB2 SER 37 HB2 SER 37 14.859 6.677 -4.579 270 HB3 SER 37 HB1 SER 37 14.243 5.046 -4.290 271 HG SER 37 HG SER 37 14.327 5.486 -6.510 272 H LEU 38 HN LEU 38 14.195 8.430 -2.575 273 HA LEU 38 HA LEU 38 14.810 6.909 -0.195 274 HB2 LEU 38 HB2 LEU 38 15.945 8.935 0.624 275 HB3 LEU 38 HB1 LEU 38 16.441 8.508 -0.996 276 HG LEU 38 HG LEU 38 14.696 10.382 -1.722 277 HD11 LEU 38 HD11 LEU 38 14.528 12.282 -0.185 278 HD12 LEU 38 HD12 LEU 38 15.301 11.336 1.088 279 HD13 LEU 38 HD13 LEU 38 13.722 10.853 0.464 280 HD21 LEU 38 HD21 LEU 38 16.477 12.066 -1.738 281 HD22 LEU 38 HD22 LEU 38 17.093 10.478 -2.189 282 HD23 LEU 38 HD23 LEU 38 17.405 11.113 -0.573 283 H ASP 39 HN ASP 39 12.391 9.151 -1.180 284 HA ASP 39 HA ASP 39 11.312 9.819 1.407 285 HB2 ASP 39 HB2 ASP 39 11.087 11.265 -0.667 286 HB3 ASP 39 HB1 ASP 39 10.018 10.051 -1.356 287 H PHE 40 HN PHE 40 10.652 7.440 -1.109 288 HA PHE 40 HA PHE 40 8.191 6.451 -0.041 289 HB2 PHE 40 HB2 PHE 40 8.998 6.250 -2.471 290 HB3 PHE 40 HB1 PHE 40 10.077 4.972 -1.926 291 HD1 PHE 40 HD1 PHE 40 6.458 5.944 -1.825 292 HD2 PHE 40 HD2 PHE 40 9.279 2.734 -2.022 293 HE1 PHE 40 HE1 PHE 40 4.620 4.337 -2.076 294 HE2 PHE 40 HE2 PHE 40 7.421 1.133 -2.275 295 HZ PHE 40 HZ PHE 40 5.100 1.933 -2.298 296 H LEU 41 HN LEU 41 11.585 5.748 0.522 297 HA LEU 41 HA LEU 41 11.407 3.404 2.066 298 HB2 LEU 41 HB2 LEU 41 13.274 5.783 2.391 299 HB3 LEU 41 HB1 LEU 41 13.485 4.250 3.227 300 HG LEU 41 HG LEU 41 13.619 4.665 0.212 301 HD11 LEU 41 HD11 LEU 41 15.842 4.079 2.195 302 HD12 LEU 41 HD12 LEU 41 15.574 5.593 1.325 303 HD13 LEU 41 HD13 LEU 41 16.012 4.138 0.435 304 HD21 LEU 41 HD21 LEU 41 12.697 2.466 0.736 305 HD22 LEU 41 HD22 LEU 41 14.042 2.130 1.832 306 HD23 LEU 41 HD23 LEU 41 14.333 2.312 0.100 307 H ASP 42 HN ASP 42 10.937 6.825 3.007 308 HA ASP 42 HA ASP 42 10.439 6.420 5.789 309 HB2 ASP 42 HB2 ASP 42 9.421 8.682 4.004 310 HB3 ASP 42 HB1 ASP 42 9.359 8.683 5.765 311 H ILE 43 HN ILE 43 8.321 6.577 2.952 312 HA ILE 43 HA ILE 43 5.834 6.411 4.286 313 HB ILE 43 HB ILE 43 6.553 5.486 1.468 314 HG12 ILE 43 HG12 ILE 43 5.432 8.154 2.450 315 HG13 ILE 43 HG11 ILE 43 7.059 7.882 1.834 316 HG21 ILE 43 HG21 ILE 43 4.153 5.673 0.931 317 HG22 ILE 43 HG22 ILE 43 3.792 6.061 2.613 318 HG23 ILE 43 HG23 ILE 43 4.427 4.469 2.192 319 HD11 ILE 43 HD11 ILE 43 4.485 7.696 0.275 320 HD12 ILE 43 HD12 ILE 43 6.091 7.332 -0.367 321 HD13 ILE 43 HD13 ILE 43 5.708 8.964 0.179 322 H ALA 44 HN ALA 44 7.992 3.890 2.980 323 HA ALA 44 HA ALA 44 6.229 1.681 3.467 324 HB1 ALA 44 HB1 ALA 44 7.927 1.620 1.673 325 HB2 ALA 44 HB2 ALA 44 8.166 0.291 2.812 326 HB3 ALA 44 HB3 ALA 44 9.216 1.711 2.876 327 H PHE 45 HN PHE 45 8.932 3.175 5.153 328 HA PHE 45 HA PHE 45 9.274 1.485 7.351 329 HB2 PHE 45 HB2 PHE 45 10.640 3.547 6.597 330 HB3 PHE 45 HB1 PHE 45 9.453 4.531 7.438 331 HD1 PHE 45 HD1 PHE 45 11.830 1.688 7.992 332 HD2 PHE 45 HD2 PHE 45 9.868 5.066 9.720 333 HE1 PHE 45 HE1 PHE 45 13.194 1.441 10.016 334 HE2 PHE 45 HE2 PHE 45 11.239 4.810 11.753 335 HZ PHE 45 HZ PHE 45 12.904 2.998 11.900 336 H ALA 46 HN ALA 46 6.976 4.106 6.782 337 HA ALA 46 HA ALA 46 5.705 4.104 9.347 338 HB1 ALA 46 HB1 ALA 46 5.696 6.063 7.848 339 HB2 ALA 46 HB2 ALA 46 4.054 5.574 8.267 340 HB3 ALA 46 HB3 ALA 46 4.714 5.173 6.680 341 H ILE 47 HN ILE 47 5.003 2.534 6.241 342 HA ILE 47 HA ILE 47 2.499 1.351 6.900 343 HB ILE 47 HB ILE 47 4.601 0.547 4.839 344 HG12 ILE 47 HG12 ILE 47 1.941 1.988 4.421 345 HG13 ILE 47 HG11 ILE 47 3.493 2.804 4.538 346 HG21 ILE 47 HG21 ILE 47 3.226 -1.420 5.362 347 HG22 ILE 47 HG22 ILE 47 2.862 -0.819 3.748 348 HG23 ILE 47 HG23 ILE 47 1.754 -0.487 5.078 349 HD11 ILE 47 HD11 ILE 47 2.710 0.824 2.397 350 HD12 ILE 47 HD12 ILE 47 4.252 1.677 2.508 351 HD13 ILE 47 HD13 ILE 47 2.763 2.578 2.232 352 H ASP 48 HN ASP 48 5.822 0.213 7.080 353 HA ASP 48 HA ASP 48 5.612 -2.406 7.931 354 HB2 ASP 48 HB2 ASP 48 7.761 -1.389 7.365 355 HB3 ASP 48 HB1 ASP 48 7.610 -0.231 8.672 356 H LYS 49 HN LYS 49 5.682 0.562 9.894 357 HA LYS 49 HA LYS 49 5.357 -0.586 12.453 358 HB2 LYS 49 HB2 LYS 49 4.455 2.163 11.509 359 HB3 LYS 49 HB1 LYS 49 4.619 1.669 13.192 360 HG2 LYS 49 HG2 LYS 49 7.043 1.390 12.878 361 HG3 LYS 49 HG1 LYS 49 6.878 1.871 11.186 362 HD2 LYS 49 HD2 LYS 49 6.006 4.086 11.918 363 HD3 LYS 49 HD1 LYS 49 6.221 3.601 13.604 364 HE2 LYS 49 HE2 LYS 49 8.651 3.406 13.235 365 HE3 LYS 49 HE1 LYS 49 8.438 3.876 11.544 366 HZ1 LYS 49 HZ1 LYS 49 7.805 5.539 13.922 367 HZ2 LYS 49 HZ2 LYS 49 7.537 5.993 12.314 368 HZ3 LYS 49 HZ3 LYS 49 9.115 5.750 12.868 369 H ALA 50 HN ALA 50 2.956 0.884 10.271 370 HA ALA 50 HA ALA 50 0.727 0.756 11.950 371 HB1 ALA 50 HB1 ALA 50 0.790 0.775 8.913 372 HB2 ALA 50 HB2 ALA 50 0.875 2.194 9.957 373 HB3 ALA 50 HB3 ALA 50 -0.592 1.217 9.926 374 H PHE 51 HN PHE 51 1.670 -1.497 9.327 375 HA PHE 51 HA PHE 51 -0.544 -3.302 9.933 376 HB2 PHE 51 HB2 PHE 51 1.557 -3.285 7.737 377 HB3 PHE 51 HB1 PHE 51 0.404 -4.599 7.937 378 HD1 PHE 51 HD1 PHE 51 -1.979 -4.281 7.434 379 HD2 PHE 51 HD2 PHE 51 0.812 -1.082 6.883 380 HE1 PHE 51 HE1 PHE 51 -3.630 -3.075 6.077 381 HE2 PHE 51 HE2 PHE 51 -0.857 0.113 5.518 382 HZ PHE 51 HZ PHE 51 -3.073 -0.882 5.116 383 H GLY 52 HN GLY 52 2.713 -2.936 10.931 384 HA2 GLY 52 HA2 GLY 52 4.100 -4.233 12.212 385 HA3 GLY 52 HA1 GLY 52 2.735 -5.298 12.503 386 H ILE 53 HN ILE 53 4.080 -4.569 9.339 387 HA ILE 53 HA ILE 53 4.684 -7.451 8.931 388 HB ILE 53 HB ILE 53 4.354 -7.018 6.490 389 HG12 ILE 53 HG12 ILE 53 3.161 -4.315 7.262 390 HG13 ILE 53 HG11 ILE 53 4.807 -4.470 6.670 391 HG21 ILE 53 HG21 ILE 53 2.521 -7.959 7.802 392 HG22 ILE 53 HG22 ILE 53 1.898 -6.908 6.531 393 HG23 ILE 53 HG23 ILE 53 1.941 -6.338 8.202 394 HD11 ILE 53 HD11 ILE 53 3.960 -5.419 4.597 395 HD12 ILE 53 HD12 ILE 53 3.308 -3.812 4.913 396 HD13 ILE 53 HD13 ILE 53 2.305 -5.238 5.188 397 H LYS 54 HN LYS 54 6.521 -8.031 7.761 398 HA LYS 54 HA LYS 54 8.702 -6.076 7.692 399 HB2 LYS 54 HB2 LYS 54 8.648 -9.119 7.566 400 HB3 LYS 54 HB1 LYS 54 10.072 -8.228 7.043 401 HG2 LYS 54 HG2 LYS 54 10.432 -8.949 9.307 402 HG3 LYS 54 HG1 LYS 54 10.225 -7.197 9.316 403 HD2 LYS 54 HD2 LYS 54 7.848 -7.525 10.045 404 HD3 LYS 54 HD1 LYS 54 8.136 -9.268 10.117 405 HE2 LYS 54 HE2 LYS 54 8.304 -8.258 12.352 406 HE3 LYS 54 HE1 LYS 54 9.873 -8.890 11.850 407 HZ1 LYS 54 HZ1 LYS 54 10.032 -6.685 12.865 408 HZ2 LYS 54 HZ2 LYS 54 9.040 -6.046 11.659 409 HZ3 LYS 54 HZ3 LYS 54 10.560 -6.662 11.259 410 H LEU 55 HN LEU 55 8.239 -4.846 5.957 411 HA LEU 55 HA LEU 55 7.697 -5.812 3.320 412 HB2 LEU 55 HB2 LEU 55 8.657 -3.130 4.383 413 HB3 LEU 55 HB1 LEU 55 8.327 -3.411 2.682 414 HG LEU 55 HG LEU 55 6.218 -3.717 4.858 415 HD11 LEU 55 HD11 LEU 55 6.676 -1.330 3.037 416 HD12 LEU 55 HD12 LEU 55 6.941 -1.379 4.780 417 HD13 LEU 55 HD13 LEU 55 5.312 -1.554 4.139 418 HD21 LEU 55 HD21 LEU 55 4.622 -3.680 2.987 419 HD22 LEU 55 HD22 LEU 55 5.760 -5.012 2.824 420 HD23 LEU 55 HD23 LEU 55 5.958 -3.565 1.836 421 HA PRO 56 HA PRO 56 12.161 -6.278 2.259 422 HB2 PRO 56 HB2 PRO 56 11.895 -8.025 0.244 423 HB3 PRO 56 HB1 PRO 56 11.697 -8.568 1.918 424 HG2 PRO 56 HG2 PRO 56 9.595 -7.940 -0.139 425 HG3 PRO 56 HG1 PRO 56 9.647 -9.275 1.032 426 HD2 PRO 56 HD2 PRO 56 8.219 -6.879 1.385 427 HD3 PRO 56 HD1 PRO 56 8.688 -7.982 2.697 428 H LEU 57 HN LEU 57 11.070 -3.993 1.841 429 HA LEU 57 HA LEU 57 10.208 -3.212 -0.733 430 HB2 LEU 57 HB2 LEU 57 9.957 -1.963 1.529 431 HB3 LEU 57 HB1 LEU 57 11.600 -1.415 1.308 432 HG LEU 57 HG LEU 57 9.853 0.289 0.760 433 HD11 LEU 57 HD11 LEU 57 10.799 1.168 -1.291 434 HD12 LEU 57 HD12 LEU 57 11.564 -0.386 -1.633 435 HD13 LEU 57 HD13 LEU 57 12.062 0.552 -0.225 436 HD21 LEU 57 HD21 LEU 57 9.129 -1.513 -1.555 437 HD22 LEU 57 HD22 LEU 57 8.508 0.114 -1.257 438 HD23 LEU 57 HD23 LEU 57 8.141 -1.187 -0.128 439 H GLU 58 HN GLU 58 13.382 -3.351 0.832 440 HA GLU 58 HA GLU 58 14.922 -2.169 -1.200 441 HB2 GLU 58 HB2 GLU 58 16.853 -3.498 -0.117 442 HB3 GLU 58 HB1 GLU 58 15.992 -2.349 0.887 443 HG2 GLU 58 HG2 GLU 58 16.374 -4.235 2.265 444 HG3 GLU 58 HG1 GLU 58 14.670 -4.295 1.836 445 H LYS 59 HN LYS 59 13.764 -5.478 -0.756 446 HA LYS 59 HA LYS 59 15.263 -6.699 -2.841 447 HB2 LYS 59 HB2 LYS 59 14.055 -7.952 -0.965 448 HB3 LYS 59 HB1 LYS 59 12.545 -7.629 -1.796 449 HG2 LYS 59 HG2 LYS 59 12.872 -9.646 -2.777 450 HG3 LYS 59 HG1 LYS 59 14.004 -8.798 -3.823 451 HD2 LYS 59 HD2 LYS 59 14.645 -10.450 -1.350 452 HD3 LYS 59 HD1 LYS 59 15.044 -10.840 -3.014 453 HE2 LYS 59 HE2 LYS 59 17.090 -10.135 -2.145 454 HE3 LYS 59 HE1 LYS 59 16.500 -8.660 -2.903 455 HZ1 LYS 59 HZ1 LYS 59 17.390 -8.233 -0.710 456 HZ2 LYS 59 HZ2 LYS 59 16.316 -9.335 -0.022 457 HZ3 LYS 59 HZ3 LYS 59 15.731 -7.913 -0.718 458 H TRP 60 HN TRP 60 11.921 -5.498 -2.656 459 HA TRP 60 HA TRP 60 11.014 -6.083 -5.216 460 HB2 TRP 60 HB2 TRP 60 10.260 -3.806 -3.346 461 HB3 TRP 60 HB1 TRP 60 9.356 -4.211 -4.800 462 HD1 TRP 60 HD1 TRP 60 9.840 -7.519 -3.987 463 HE1 TRP 60 HE1 TRP 60 8.133 -8.470 -2.327 464 HE3 TRP 60 HE3 TRP 60 8.057 -3.135 -2.055 465 HZ2 TRP 60 HZ2 TRP 60 6.266 -7.513 -0.470 466 HZ3 TRP 60 HZ3 TRP 60 6.298 -3.243 -0.336 467 HH2 TRP 60 HH2 TRP 60 5.422 -5.392 0.439 468 H THR 61 HN THR 61 12.492 -3.100 -3.993 469 HA THR 61 HA THR 61 12.550 -1.618 -6.387 470 HB THR 61 HB THR 61 14.472 -1.377 -4.018 471 HG1 THR 61 HG1 THR 61 12.674 -0.876 -3.006 472 HG21 THR 61 HG21 THR 61 13.599 0.705 -6.064 473 HG22 THR 61 HG22 THR 61 15.192 -0.055 -5.992 474 HG23 THR 61 HG23 THR 61 14.654 0.996 -4.681 475 H GLN 62 HN GLN 62 14.780 -4.003 -5.010 476 HA GLN 62 HA GLN 62 17.029 -3.472 -6.676 477 HB2 GLN 62 HB2 GLN 62 17.217 -4.632 -4.506 478 HB3 GLN 62 HB1 GLN 62 16.248 -5.969 -5.116 479 HG2 GLN 62 HG2 GLN 62 18.032 -6.455 -6.781 480 HG3 GLN 62 HG1 GLN 62 19.003 -5.158 -6.083 481 HE21 GLN 62 HE21 GLN 62 20.661 -6.569 -5.522 482 HE22 GLN 62 HE22 GLN 62 20.522 -7.715 -4.241 483 H GLU 63 HN GLU 63 14.345 -5.803 -6.832 484 HA GLU 63 HA GLU 63 15.179 -7.225 -9.133 485 HB2 GLU 63 HB2 GLU 63 12.314 -6.891 -8.145 486 HB3 GLU 63 HB1 GLU 63 12.936 -8.190 -9.161 487 HG2 GLU 63 HG2 GLU 63 13.660 -7.688 -6.263 488 HG3 GLU 63 HG1 GLU 63 12.558 -8.921 -6.852 489 H VAL 64 HN VAL 64 13.184 -4.366 -8.661 490 HA VAL 64 HA VAL 64 12.359 -3.902 -11.309 491 HB VAL 64 HB VAL 64 12.919 -1.948 -9.037 492 HG11 VAL 64 HG11 VAL 64 11.652 -0.254 -10.333 493 HG12 VAL 64 HG12 VAL 64 11.603 -1.353 -11.715 494 HG13 VAL 64 HG13 VAL 64 13.148 -0.723 -11.140 495 HG21 VAL 64 HG21 VAL 64 11.052 -3.520 -8.625 496 HG22 VAL 64 HG22 VAL 64 10.291 -3.029 -10.137 497 HG23 VAL 64 HG23 VAL 64 10.450 -1.870 -8.816 498 H ASN 65 HN ASN 65 15.243 -2.664 -9.546 499 HA ASN 65 HA ASN 65 16.423 -1.344 -11.761 500 HB2 ASN 65 HB2 ASN 65 17.662 -2.266 -9.132 501 HB3 ASN 65 HB1 ASN 65 18.561 -1.368 -10.350 502 HD21 ASN 65 HD21 ASN 65 16.408 -1.134 -7.717 503 HD22 ASN 65 HD22 ASN 65 16.156 0.566 -7.786 504 H ASP 66 HN ASP 66 16.518 -4.707 -10.731 505 HA ASP 66 HA ASP 66 18.779 -5.359 -12.440 506 HB2 ASP 66 HB2 ASP 66 18.392 -6.327 -10.116 507 HB3 ASP 66 HB1 ASP 66 17.024 -7.208 -10.769 508 H GLY 67 HN GLY 67 15.650 -4.723 -13.131 509 HA2 GLY 67 HA2 GLY 67 14.319 -5.121 -14.924 510 HA3 GLY 67 HA1 GLY 67 15.650 -5.994 -15.655 511 H LYS 68 HN LYS 68 14.700 -7.333 -12.634 512 HA LYS 68 HA LYS 68 13.457 -9.647 -13.822 513 HB2 LYS 68 HB2 LYS 68 13.533 -8.783 -10.908 514 HB3 LYS 68 HB1 LYS 68 12.967 -10.351 -11.493 515 HG2 LYS 68 HG2 LYS 68 15.421 -10.476 -12.519 516 HG3 LYS 68 HG1 LYS 68 15.772 -9.277 -11.266 517 HD2 LYS 68 HD2 LYS 68 14.702 -10.918 -9.603 518 HD3 LYS 68 HD1 LYS 68 14.714 -12.108 -10.904 519 HE2 LYS 68 HE2 LYS 68 16.654 -12.482 -9.535 520 HE3 LYS 68 HE1 LYS 68 17.213 -11.783 -11.057 521 HZ1 LYS 68 HZ1 LYS 68 18.260 -10.791 -9.097 522 HZ2 LYS 68 HZ2 LYS 68 16.753 -10.244 -8.561 523 HZ3 LYS 68 HZ3 LYS 68 17.409 -9.653 -10.008 524 H ALA 69 HN ALA 69 12.403 -6.603 -12.569 525 HA ALA 69 HA ALA 69 9.616 -7.085 -13.330 526 HB1 ALA 69 HB1 ALA 69 8.751 -6.215 -11.187 527 HB2 ALA 69 HB2 ALA 69 10.388 -6.120 -10.532 528 HB3 ALA 69 HB3 ALA 69 9.682 -7.690 -10.922 529 H THR 70 HN THR 70 8.417 -5.032 -13.274 530 HA THR 70 HA THR 70 10.032 -2.652 -13.918 531 HB THR 70 HB THR 70 7.862 -1.749 -14.853 532 HG1 THR 70 HG1 THR 70 6.236 -3.592 -15.188 533 HG21 THR 70 HG21 THR 70 9.448 -2.894 -16.375 534 HG22 THR 70 HG22 THR 70 7.780 -3.196 -16.858 535 HG23 THR 70 HG23 THR 70 8.689 -4.450 -16.012 536 H THR 71 HN THR 71 9.133 -0.547 -13.087 537 HA THR 71 HA THR 71 9.056 -0.505 -10.294 538 HB THR 71 HB THR 71 8.337 1.902 -10.505 539 HG1 THR 71 HG1 THR 71 8.290 2.639 -12.810 540 HG21 THR 71 HG21 THR 71 10.740 1.408 -10.690 541 HG22 THR 71 HG22 THR 71 10.299 2.743 -11.758 542 HG23 THR 71 HG23 THR 71 10.564 1.131 -12.423 543 H GLU 72 HN GLU 72 6.455 -0.251 -12.679 544 HA GLU 72 HA GLU 72 4.183 0.323 -11.379 545 HB2 GLU 72 HB2 GLU 72 4.268 -2.063 -13.290 546 HB3 GLU 72 HB1 GLU 72 2.944 -0.928 -13.036 547 HG2 GLU 72 HG2 GLU 72 5.582 -0.383 -14.439 548 HG3 GLU 72 HG1 GLU 72 3.991 -0.536 -15.180 549 H GLN 73 HN GLN 73 5.550 -2.917 -11.535 550 HA GLN 73 HA GLN 73 3.459 -4.303 -10.295 551 HB2 GLN 73 HB2 GLN 73 6.377 -5.039 -10.720 552 HB3 GLN 73 HB1 GLN 73 5.187 -6.171 -10.078 553 HG2 GLN 73 HG2 GLN 73 3.874 -6.040 -12.128 554 HG3 GLN 73 HG1 GLN 73 4.930 -4.788 -12.773 555 HE21 GLN 73 HE21 GLN 73 6.892 -5.366 -13.650 556 HE22 GLN 73 HE22 GLN 73 7.366 -6.997 -13.947 557 H TYR 74 HN TYR 74 6.101 -2.554 -8.742 558 HA TYR 74 HA TYR 74 5.019 -3.455 -6.112 559 HB2 TYR 74 HB2 TYR 74 7.931 -2.794 -6.773 560 HB3 TYR 74 HB1 TYR 74 7.318 -3.261 -5.189 561 HD1 TYR 74 HD2 TYR 74 5.878 -5.568 -5.251 562 HD2 TYR 74 HD1 TYR 74 8.980 -4.510 -8.000 563 HE1 TYR 74 HE2 TYR 74 6.193 -7.938 -5.811 564 HE2 TYR 74 HE1 TYR 74 9.290 -6.882 -8.556 565 HH TYR 74 HH TYR 74 7.077 -9.300 -7.693 566 H PHE 75 HN PHE 75 5.233 -0.743 -8.100 567 HA PHE 75 HA PHE 75 5.238 1.122 -5.794 568 HB2 PHE 75 HB2 PHE 75 6.516 1.545 -8.544 569 HB3 PHE 75 HB1 PHE 75 6.278 2.825 -7.365 570 HD1 PHE 75 HD1 PHE 75 7.662 2.933 -5.314 571 HD2 PHE 75 HD2 PHE 75 8.312 -0.108 -8.250 572 HE1 PHE 75 HE1 PHE 75 9.869 2.448 -4.340 573 HE2 PHE 75 HE2 PHE 75 10.514 -0.587 -7.266 574 HZ PHE 75 HZ PHE 75 11.293 0.695 -5.310 575 H VAL 76 HN VAL 76 3.076 -0.242 -7.704 576 HA VAL 76 HA VAL 76 1.499 2.281 -7.946 577 HB VAL 76 HB VAL 76 0.838 -0.462 -9.137 578 HG11 VAL 76 HG11 VAL 76 -1.217 0.767 -8.531 579 HG12 VAL 76 HG12 VAL 76 -1.049 0.657 -10.284 580 HG13 VAL 76 HG13 VAL 76 -0.664 2.168 -9.451 581 HG21 VAL 76 HG21 VAL 76 2.682 0.659 -10.324 582 HG22 VAL 76 HG22 VAL 76 1.679 2.090 -10.570 583 HG23 VAL 76 HG23 VAL 76 1.239 0.555 -11.329 584 H LEU 77 HN LEU 77 -0.472 2.399 -6.823 585 HA LEU 77 HA LEU 77 -0.395 1.423 -4.221 586 HB2 LEU 77 HB2 LEU 77 -2.262 3.087 -5.820 587 HB3 LEU 77 HB1 LEU 77 -3.014 2.295 -4.453 588 HG LEU 77 HG LEU 77 -2.261 4.575 -3.907 589 HD11 LEU 77 HD11 LEU 77 -1.158 4.065 -1.793 590 HD12 LEU 77 HD12 LEU 77 -0.758 2.443 -2.362 591 HD13 LEU 77 HD13 LEU 77 -2.446 2.908 -2.131 592 HD21 LEU 77 HD21 LEU 77 0.567 3.568 -4.383 593 HD22 LEU 77 HD22 LEU 77 0.116 5.148 -3.731 594 HD23 LEU 77 HD23 LEU 77 -0.307 4.725 -5.389 595 H LYS 78 HN LYS 78 -2.245 0.131 -6.970 596 HA LYS 78 HA LYS 78 -3.890 -1.659 -5.454 597 HB2 LYS 78 HB2 LYS 78 -4.344 -2.772 -7.651 598 HB3 LYS 78 HB1 LYS 78 -4.514 -1.019 -7.754 599 HG2 LYS 78 HG2 LYS 78 -2.220 -0.901 -8.732 600 HG3 LYS 78 HG1 LYS 78 -2.146 -2.659 -8.710 601 HD2 LYS 78 HD2 LYS 78 -4.058 -2.746 -10.295 602 HD3 LYS 78 HD1 LYS 78 -4.113 -0.981 -10.319 603 HE2 LYS 78 HE2 LYS 78 -1.799 -0.932 -11.227 604 HE3 LYS 78 HE1 LYS 78 -1.771 -2.695 -11.219 605 HZ1 LYS 78 HZ1 LYS 78 -3.621 -2.668 -12.788 606 HZ2 LYS 78 HZ2 LYS 78 -2.259 -1.875 -13.402 607 HZ3 LYS 78 HZ3 LYS 78 -3.572 -0.980 -12.826 608 H ASN 79 HN ASN 79 -0.718 -1.946 -6.999 609 HA ASN 79 HA ASN 79 -0.330 -4.756 -6.570 610 HB2 ASN 79 HB2 ASN 79 1.659 -2.531 -7.215 611 HB3 ASN 79 HB1 ASN 79 2.042 -4.247 -7.238 612 HD21 ASN 79 HD21 ASN 79 1.385 -5.489 -8.988 613 HD22 ASN 79 HD22 ASN 79 0.655 -4.819 -10.403 614 H LEU 80 HN LEU 80 0.839 -1.821 -5.044 615 HA LEU 80 HA LEU 80 2.572 -2.858 -3.126 616 HB2 LEU 80 HB2 LEU 80 2.493 -0.462 -3.843 617 HB3 LEU 80 HB1 LEU 80 0.938 -0.285 -3.057 618 HG LEU 80 HG LEU 80 2.031 -0.716 -0.843 619 HD11 LEU 80 HD11 LEU 80 4.641 -0.627 -2.388 620 HD12 LEU 80 HD12 LEU 80 3.960 -2.025 -1.550 621 HD13 LEU 80 HD13 LEU 80 4.476 -0.618 -0.626 622 HD21 LEU 80 HD21 LEU 80 3.081 1.497 -0.626 623 HD22 LEU 80 HD22 LEU 80 1.601 1.588 -1.578 624 HD23 LEU 80 HD23 LEU 80 3.171 1.639 -2.385 625 H ALA 81 HN ALA 81 -0.858 -1.898 -2.911 626 HA ALA 81 HA ALA 81 -1.354 -2.603 -0.223 627 HB1 ALA 81 HB1 ALA 81 -3.733 -2.521 -0.824 628 HB2 ALA 81 HB2 ALA 81 -3.309 -2.541 -2.542 629 HB3 ALA 81 HB3 ALA 81 -2.856 -1.165 -1.536 630 H ALA 82 HN ALA 82 -1.524 -4.489 -3.228 631 HA ALA 82 HA ALA 82 -2.670 -6.854 -2.175 632 HB1 ALA 82 HB1 ALA 82 -0.793 -6.554 -4.547 633 HB2 ALA 82 HB2 ALA 82 -2.547 -6.393 -4.600 634 HB3 ALA 82 HB3 ALA 82 -1.820 -7.952 -4.207 635 H ARG 83 HN ARG 83 0.736 -5.872 -2.645 636 HA ARG 83 HA ARG 83 2.039 -8.183 -1.744 637 HB2 ARG 83 HB2 ARG 83 3.016 -5.299 -1.495 638 HB3 ARG 83 HB1 ARG 83 4.021 -6.735 -1.347 639 HG2 ARG 83 HG2 ARG 83 2.678 -5.681 -3.854 640 HG3 ARG 83 HG1 ARG 83 4.405 -5.731 -3.502 641 HD2 ARG 83 HD2 ARG 83 2.565 -8.096 -3.979 642 HD3 ARG 83 HD1 ARG 83 3.830 -7.509 -5.059 643 HE ARG 83 HE ARG 83 5.313 -8.082 -2.969 644 HH11 ARG 83 HH11 ARG 83 2.643 -10.005 -4.240 645 HH12 ARG 83 HH12 ARG 83 3.326 -11.498 -3.681 646 HH21 ARG 83 HH21 ARG 83 6.143 -10.055 -2.247 647 HH22 ARG 83 HH22 ARG 83 5.273 -11.518 -2.560 648 H ILE 84 HN ILE 84 1.077 -5.259 -0.022 649 HA ILE 84 HA ILE 84 2.133 -5.843 2.537 650 HB ILE 84 HB ILE 84 -0.008 -3.926 1.528 651 HG12 ILE 84 HG12 ILE 84 2.811 -3.344 2.545 652 HG13 ILE 84 HG11 ILE 84 2.429 -3.614 0.849 653 HG21 ILE 84 HG21 ILE 84 0.061 -2.729 3.685 654 HG22 ILE 84 HG22 ILE 84 1.076 -3.999 4.360 655 HG23 ILE 84 HG23 ILE 84 -0.576 -4.364 3.871 656 HD11 ILE 84 HD11 ILE 84 1.017 -1.637 0.846 657 HD12 ILE 84 HD12 ILE 84 2.660 -1.263 1.362 658 HD13 ILE 84 HD13 ILE 84 1.366 -1.373 2.556 659 H ASP 85 HN ASP 85 -1.101 -6.279 1.114 660 HA ASP 85 HA ASP 85 -2.446 -7.314 3.372 661 HB2 ASP 85 HB2 ASP 85 -3.589 -6.459 1.325 662 HB3 ASP 85 HB1 ASP 85 -2.996 -7.847 0.415 663 H GLU 86 HN GLU 86 -0.590 -8.896 0.802 664 HA GLU 86 HA GLU 86 -0.998 -11.598 1.541 665 HB2 GLU 86 HB2 GLU 86 1.280 -10.251 0.032 666 HB3 GLU 86 HB1 GLU 86 1.209 -11.994 0.285 667 HG2 GLU 86 HG2 GLU 86 -0.858 -10.344 -1.214 668 HG3 GLU 86 HG1 GLU 86 0.422 -11.306 -1.957 669 H LEU 87 HN LEU 87 1.454 -9.203 2.528 670 HA LEU 87 HA LEU 87 2.994 -10.983 4.141 671 HB2 LEU 87 HB2 LEU 87 2.870 -7.946 4.245 672 HB3 LEU 87 HB1 LEU 87 4.087 -8.935 5.041 673 HG LEU 87 HG LEU 87 3.696 -8.588 2.047 674 HD11 LEU 87 HD11 LEU 87 6.017 -7.789 3.816 675 HD12 LEU 87 HD12 LEU 87 4.803 -6.704 3.132 676 HD13 LEU 87 HD13 LEU 87 5.905 -7.570 2.065 677 HD21 LEU 87 HD21 LEU 87 5.650 -10.053 1.716 678 HD22 LEU 87 HD22 LEU 87 4.303 -10.917 2.450 679 HD23 LEU 87 HD23 LEU 87 5.675 -10.420 3.445 680 H VAL 88 HN VAL 88 0.254 -8.852 4.871 681 HA VAL 88 HA VAL 88 0.218 -9.158 7.708 682 HB VAL 88 HB VAL 88 -2.106 -8.609 5.787 683 HG11 VAL 88 HG11 VAL 88 -2.026 -8.314 8.820 684 HG12 VAL 88 HG12 VAL 88 -2.971 -9.496 7.912 685 HG13 VAL 88 HG13 VAL 88 -3.350 -7.779 7.779 686 HG21 VAL 88 HG21 VAL 88 -0.486 -6.662 7.488 687 HG22 VAL 88 HG22 VAL 88 -1.855 -6.238 6.454 688 HG23 VAL 88 HG23 VAL 88 -0.365 -6.847 5.738 689 H ALA 89 HN ALA 89 -1.220 -10.948 5.042 690 HA ALA 89 HA ALA 89 -2.664 -12.864 6.566 691 HB1 ALA 89 HB1 ALA 89 -2.927 -14.037 4.424 692 HB2 ALA 89 HB2 ALA 89 -1.707 -12.992 3.688 693 HB3 ALA 89 HB3 ALA 89 -3.239 -12.310 4.242 694 H ALA 90 HN ALA 90 0.598 -12.800 5.167 695 HA ALA 90 HA ALA 90 1.320 -15.491 5.547 696 HB1 ALA 90 HB1 ALA 90 3.636 -14.708 5.198 697 HB2 ALA 90 HB2 ALA 90 3.108 -13.034 5.401 698 HB3 ALA 90 HB3 ALA 90 2.526 -13.980 4.032 699 H LYS 91 HN LYS 91 1.724 -12.618 7.591 700 HA LYS 91 HA LYS 91 3.212 -14.033 9.650 701 HB2 LYS 91 HB2 LYS 91 3.304 -11.922 10.823 702 HB3 LYS 91 HB1 LYS 91 3.632 -11.613 9.119 703 HG2 LYS 91 HG2 LYS 91 1.424 -10.708 8.784 704 HG3 LYS 91 HG1 LYS 91 0.922 -11.199 10.403 705 HD2 LYS 91 HD2 LYS 91 2.620 -9.622 11.355 706 HD3 LYS 91 HD1 LYS 91 2.980 -9.072 9.711 707 HE2 LYS 91 HE2 LYS 91 1.411 -7.552 10.844 708 HE3 LYS 91 HE1 LYS 91 0.648 -8.322 9.450 709 HZ1 LYS 91 HZ1 LYS 91 -0.444 -9.864 10.930 710 HZ2 LYS 91 HZ2 LYS 91 -0.793 -8.279 11.394 711 HZ3 LYS 91 HZ3 LYS 91 0.325 -9.189 12.273 712 H GLY 92 HN GLY 92 -0.088 -13.452 8.842 713 HA2 GLY 92 HA2 GLY 92 -1.158 -13.896 11.530 714 HA3 GLY 92 HA1 GLY 92 -2.074 -13.693 10.039 715 H ALA 93 HN ALA 93 -0.349 -15.657 8.633 716 HA ALA 93 HA ALA 93 -1.789 -18.104 9.318 717 HB1 ALA 93 HB1 ALA 93 -0.920 -18.954 7.173 718 HB2 ALA 93 HB2 ALA 93 0.083 -17.511 6.992 719 HB3 ALA 93 HB3 ALA 93 -1.677 -17.374 6.965 720 H LEU 94 HN LEU 94 0.917 -16.821 10.569 721 HA LEU 94 HA LEU 94 2.714 -19.014 10.739 722 HB2 LEU 94 HB2 LEU 94 2.167 -16.783 12.747 723 HB3 LEU 94 HB1 LEU 94 3.519 -17.899 12.848 724 HG LEU 94 HG LEU 94 3.084 -15.875 10.613 725 HD11 LEU 94 HD11 LEU 94 5.077 -15.800 12.901 726 HD12 LEU 94 HD12 LEU 94 3.672 -14.751 12.693 727 HD13 LEU 94 HD13 LEU 94 5.006 -14.666 11.547 728 HD21 LEU 94 HD21 LEU 94 4.252 -17.843 9.772 729 HD22 LEU 94 HD22 LEU 94 5.426 -17.746 11.086 730 HD23 LEU 94 HD23 LEU 94 5.357 -16.472 9.866 731 H GLU 95 HN GLU 95 3.082 -20.169 12.963 732 HA GLU 95 HA GLU 95 0.807 -21.800 13.417 733 HB2 GLU 95 HB2 GLU 95 2.180 -22.989 15.103 734 HB3 GLU 95 HB1 GLU 95 3.048 -22.748 13.603 735 HG2 GLU 95 HG2 GLU 95 4.695 -22.316 15.168 736 HG3 GLU 95 HG1 GLU 95 4.110 -20.695 14.794 737 H HIS 96 HN HIS 96 -0.403 -22.094 15.395 738 HA HIS 96 HA HIS 96 -1.414 -19.477 16.172 739 HB2 HIS 96 HB2 HIS 96 -2.552 -22.276 16.566 740 HB3 HIS 96 HB1 HIS 96 -3.392 -20.795 17.015 741 HD1 HIS 96 HD1 HIS 96 -5.312 -20.986 15.388 742 HD2 HIS 96 HD2 HIS 96 -1.627 -21.247 13.499 743 HE1 HIS 96 HE1 HIS 96 -5.809 -20.947 12.932 744 HE2 HIS 96 HE2 HIS 96 -3.557 -20.842 11.842 745 H HIS 97 HN HIS 97 1.025 -20.935 17.446 746 HA HIS 97 HA HIS 97 2.108 -21.020 19.406 747 HB2 HIS 97 HB2 HIS 97 0.078 -18.899 20.238 748 HB3 HIS 97 HB1 HIS 97 1.593 -19.243 21.072 749 HD1 HIS 97 HD1 HIS 97 0.262 -17.821 17.847 750 HD2 HIS 97 HD2 HIS 97 3.837 -18.022 19.950 751 HE1 HIS 97 HE1 HIS 97 1.839 -16.305 16.619 752 HE2 HIS 97 HE2 HIS 97 4.041 -16.587 17.802 753 H HIS 98 HN HIS 98 0.668 -23.153 19.111 754 HA HIS 98 HA HIS 98 -1.216 -23.922 21.025 755 HB2 HIS 98 HB2 HIS 98 -0.619 -26.229 20.540 756 HB3 HIS 98 HB1 HIS 98 -0.495 -25.324 19.039 757 HD1 HIS 98 HD1 HIS 98 1.457 -27.430 21.363 758 HD2 HIS 98 HD2 HIS 98 2.253 -24.890 18.170 759 HE1 HIS 98 HE1 HIS 98 3.817 -27.931 20.675 760 HE2 HIS 98 HE2 HIS 98 4.332 -26.263 18.864 761 H HIS 99 HN HIS 99 2.276 -23.695 21.216 762 HA HIS 99 HA HIS 99 2.208 -23.154 24.009 763 HB2 HIS 99 HB2 HIS 99 2.250 -25.760 23.887 764 HB3 HIS 99 HB1 HIS 99 3.887 -25.598 23.268 765 HD1 HIS 99 HD1 HIS 99 2.162 -26.120 26.335 766 HD2 HIS 99 HD2 HIS 99 5.496 -23.903 25.247 767 HE1 HIS 99 HE1 HIS 99 3.430 -25.726 28.464 768 HE2 HIS 99 HE2 HIS 99 5.329 -24.214 27.801 769 H HIS 100 HN HIS 100 3.296 -21.300 23.706 770 HA HIS 100 HA HIS 100 6.120 -21.352 23.094 771 HB2 HIS 100 HB2 HIS 100 4.160 -20.194 21.131 772 HB3 HIS 100 HB1 HIS 100 5.504 -19.137 21.536 773 HD1 HIS 100 HD1 HIS 100 5.084 -20.393 18.706 774 HD2 HIS 100 HD2 HIS 100 7.652 -21.859 21.622 775 HE1 HIS 100 HE1 HIS 100 6.885 -21.612 17.461 776 HE2 HIS 100 HE2 HIS 100 8.306 -22.658 19.254 777 H HIS 101 HN HIS 101 6.294 -20.828 25.237 778 HA HIS 101 HA HIS 101 6.001 -18.052 25.997 779 HB2 HIS 101 HB2 HIS 101 3.734 -18.963 26.528 780 HB3 HIS 101 HB1 HIS 101 4.463 -20.214 27.525 781 HD1 HIS 101 HD1 HIS 101 3.525 -16.605 27.521 782 HD2 HIS 101 HD2 HIS 101 5.341 -19.335 30.071 783 HE1 HIS 101 HE1 HIS 101 3.607 -15.479 29.762 784 HE2 HIS 101 HE2 HIS 101 4.722 -17.143 31.288 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -9.196 -5.736 8.590 2 H2 MET 1 HT2 MET 1 -8.231 -5.131 9.837 3 H3 MET 1 HT3 MET 1 -8.183 -4.412 8.311 4 HA MET 1 HA MET 1 -10.477 -4.480 10.167 5 HB2 MET 1 HB2 MET 1 -8.702 -2.926 10.892 6 HB3 MET 1 HB1 MET 1 -8.690 -2.160 9.309 7 HG2 MET 1 HG2 MET 1 -10.942 -1.304 9.675 8 HG3 MET 1 HG1 MET 1 -11.044 -2.165 11.212 9 HE1 MET 1 HE1 MET 1 -11.813 0.137 12.325 10 HE2 MET 1 HE2 MET 1 -11.609 1.013 10.804 11 HE3 MET 1 HE3 MET 1 -10.853 1.614 12.279 12 H THR 2 HN THR 2 -9.227 -2.967 7.179 13 HA THR 2 HA THR 2 -11.842 -3.236 5.865 14 HB THR 2 HB THR 2 -11.683 -0.941 6.956 15 HG1 THR 2 HG1 THR 2 -12.944 -1.287 5.059 16 HG21 THR 2 HG21 THR 2 -10.217 0.773 6.011 17 HG22 THR 2 HG22 THR 2 -9.486 -0.410 4.924 18 HG23 THR 2 HG23 THR 2 -9.248 -0.550 6.668 19 H SER 3 HN SER 3 -11.226 -1.954 3.482 20 HA SER 3 HA SER 3 -9.493 -3.623 2.060 21 HB2 SER 3 HB2 SER 3 -10.344 -0.771 1.380 22 HB3 SER 3 HB1 SER 3 -9.674 -1.945 0.240 23 HG SER 3 HG SER 3 -11.822 -2.943 1.617 24 H THR 4 HN THR 4 -7.349 -3.691 1.844 25 HA THR 4 HA THR 4 -5.571 -2.350 3.531 26 HB THR 4 HB THR 4 -4.815 -3.711 0.898 27 HG1 THR 4 HG1 THR 4 -5.160 -4.949 3.441 28 HG21 THR 4 HG21 THR 4 -2.917 -2.589 2.052 29 HG22 THR 4 HG22 THR 4 -2.747 -4.343 2.094 30 HG23 THR 4 HG23 THR 4 -3.292 -3.482 3.534 31 H PHE 5 HN PHE 5 -6.533 -1.628 0.164 32 HA PHE 5 HA PHE 5 -4.697 0.394 -0.453 33 HB2 PHE 5 HB2 PHE 5 -6.110 -0.394 -2.236 34 HB3 PHE 5 HB1 PHE 5 -7.578 -0.012 -1.343 35 HD1 PHE 5 HD1 PHE 5 -4.595 1.616 -2.944 36 HD2 PHE 5 HD2 PHE 5 -8.652 2.102 -1.670 37 HE1 PHE 5 HE1 PHE 5 -4.639 3.877 -3.899 38 HE2 PHE 5 HE2 PHE 5 -8.684 4.352 -2.659 39 HZ PHE 5 HZ PHE 5 -6.673 5.244 -3.759 40 H ASP 6 HN ASP 6 -7.890 0.665 1.138 41 HA ASP 6 HA ASP 6 -8.062 3.423 1.453 42 HB2 ASP 6 HB2 ASP 6 -9.123 1.191 3.239 43 HB3 ASP 6 HB1 ASP 6 -9.496 2.891 3.521 44 H ARG 7 HN ARG 7 -6.626 1.025 3.617 45 HA ARG 7 HA ARG 7 -5.623 2.712 5.599 46 HB2 ARG 7 HB2 ARG 7 -4.836 -0.029 4.600 47 HB3 ARG 7 HB1 ARG 7 -3.870 0.760 5.838 48 HG2 ARG 7 HG2 ARG 7 -6.836 0.182 6.089 49 HG3 ARG 7 HG1 ARG 7 -5.543 -0.820 6.759 50 HD2 ARG 7 HD2 ARG 7 -4.762 1.264 8.033 51 HD3 ARG 7 HD1 ARG 7 -6.264 2.032 7.514 52 HE ARG 7 HE ARG 7 -7.407 0.822 9.072 53 HH11 ARG 7 HH11 ARG 7 -4.270 -0.736 8.703 54 HH12 ARG 7 HH12 ARG 7 -4.433 -1.656 10.161 55 HH21 ARG 7 HH21 ARG 7 -7.582 -0.358 10.983 56 HH22 ARG 7 HH22 ARG 7 -6.315 -1.449 11.451 57 H VAL 8 HN VAL 8 -3.963 1.553 2.609 58 HA VAL 8 HA VAL 8 -1.426 2.667 3.296 59 HB VAL 8 HB VAL 8 -2.483 1.607 0.633 60 HG11 VAL 8 HG11 VAL 8 -0.569 3.119 0.205 61 HG12 VAL 8 HG12 VAL 8 -0.114 1.443 -0.093 62 HG13 VAL 8 HG13 VAL 8 0.404 2.242 1.392 63 HG21 VAL 8 HG21 VAL 8 -2.399 -0.086 2.457 64 HG22 VAL 8 HG22 VAL 8 -0.689 0.275 2.703 65 HG23 VAL 8 HG23 VAL 8 -1.229 -0.440 1.184 66 H ALA 9 HN ALA 9 -4.084 3.717 1.236 67 HA ALA 9 HA ALA 9 -2.997 5.955 -0.020 68 HB1 ALA 9 HB1 ALA 9 -5.338 6.680 -0.388 69 HB2 ALA 9 HB2 ALA 9 -5.901 5.504 0.803 70 HB3 ALA 9 HB3 ALA 9 -5.157 4.950 -0.699 71 H THR 10 HN THR 10 -4.769 5.630 3.044 72 HA THR 10 HA THR 10 -4.611 8.340 3.834 73 HB THR 10 HB THR 10 -4.977 5.853 5.545 74 HG1 THR 10 HG1 THR 10 -6.642 6.117 4.045 75 HG21 THR 10 HG21 THR 10 -4.306 7.740 6.993 76 HG22 THR 10 HG22 THR 10 -6.009 7.357 7.231 77 HG23 THR 10 HG23 THR 10 -5.556 8.760 6.263 78 H ILE 11 HN ILE 11 -2.431 5.545 4.560 79 HA ILE 11 HA ILE 11 -0.678 6.887 6.272 80 HB ILE 11 HB ILE 11 -0.052 4.618 4.333 81 HG12 ILE 11 HG12 ILE 11 -0.679 4.524 7.325 82 HG13 ILE 11 HG11 ILE 11 -1.830 4.140 6.052 83 HG21 ILE 11 HG21 ILE 11 2.055 5.703 4.985 84 HG22 ILE 11 HG22 ILE 11 1.922 4.140 5.785 85 HG23 ILE 11 HG23 ILE 11 1.599 5.615 6.692 86 HD11 ILE 11 HD11 ILE 11 -0.948 2.126 7.053 87 HD12 ILE 11 HD12 ILE 11 0.706 2.616 6.677 88 HD13 ILE 11 HD13 ILE 11 -0.427 2.239 5.374 89 H ILE 12 HN ILE 12 -0.426 6.524 2.700 90 HA ILE 12 HA ILE 12 1.908 8.018 2.316 91 HB ILE 12 HB ILE 12 -0.446 7.703 0.392 92 HG12 ILE 12 HG12 ILE 12 2.133 6.091 0.676 93 HG13 ILE 12 HG11 ILE 12 0.508 5.524 1.026 94 HG21 ILE 12 HG21 ILE 12 2.404 8.580 -0.222 95 HG22 ILE 12 HG22 ILE 12 0.968 9.606 -0.291 96 HG23 ILE 12 HG23 ILE 12 1.150 8.264 -1.421 97 HD11 ILE 12 HD11 ILE 12 1.281 4.601 -1.050 98 HD12 ILE 12 HD12 ILE 12 1.630 6.208 -1.691 99 HD13 ILE 12 HD13 ILE 12 -0.040 5.723 -1.378 100 H ALA 13 HN ALA 13 -1.509 9.037 2.338 101 HA ALA 13 HA ALA 13 -1.330 11.743 1.933 102 HB1 ALA 13 HB1 ALA 13 -3.448 10.498 2.173 103 HB2 ALA 13 HB2 ALA 13 -3.429 11.937 3.193 104 HB3 ALA 13 HB3 ALA 13 -3.163 10.345 3.907 105 H GLU 14 HN GLU 14 -1.241 10.161 5.160 106 HA GLU 14 HA GLU 14 -0.898 12.564 6.600 107 HB2 GLU 14 HB2 GLU 14 -0.327 9.708 7.486 108 HB3 GLU 14 HB1 GLU 14 -0.479 11.101 8.551 109 HG2 GLU 14 HG2 GLU 14 -2.672 9.864 6.859 110 HG3 GLU 14 HG1 GLU 14 -2.503 9.761 8.611 111 H THR 15 HN THR 15 1.404 10.242 5.284 112 HA THR 15 HA THR 15 3.698 11.160 6.725 113 HB THR 15 HB THR 15 3.581 9.509 4.156 114 HG1 THR 15 HG1 THR 15 4.000 8.487 6.771 115 HG21 THR 15 HG21 THR 15 5.835 9.816 6.184 116 HG22 THR 15 HG22 THR 15 5.825 10.487 4.550 117 HG23 THR 15 HG23 THR 15 5.845 8.738 4.788 118 H CYS 16 HN CYS 16 2.644 11.529 3.268 119 HA CYS 16 HA CYS 16 4.881 13.278 2.716 120 HB2 CYS 16 HB2 CYS 16 4.101 11.418 1.202 121 HB3 CYS 16 HB1 CYS 16 2.647 12.348 0.883 122 HG CYS 16 HG CYS 16 5.755 12.752 -0.302 123 H ASP 17 HN ASP 17 2.060 13.945 4.203 124 HA ASP 17 HA ASP 17 0.575 15.596 4.404 125 HB2 ASP 17 HB2 ASP 17 2.898 17.278 3.382 126 HB3 ASP 17 HB1 ASP 17 1.483 17.919 4.216 127 H ILE 18 HN ILE 18 -0.526 14.459 2.634 128 HA ILE 18 HA ILE 18 -1.375 16.296 0.535 129 HB ILE 18 HB ILE 18 -1.335 14.363 -1.192 130 HG12 ILE 18 HG12 ILE 18 0.763 13.224 0.722 131 HG13 ILE 18 HG11 ILE 18 -0.796 12.489 0.375 132 HG21 ILE 18 HG21 ILE 18 0.940 14.885 -1.953 133 HG22 ILE 18 HG22 ILE 18 1.338 15.550 -0.369 134 HG23 ILE 18 HG23 ILE 18 0.122 16.339 -1.377 135 HD11 ILE 18 HD11 ILE 18 1.461 12.872 -1.585 136 HD12 ILE 18 HD12 ILE 18 -0.101 12.130 -1.952 137 HD13 ILE 18 HD13 ILE 18 0.997 11.365 -0.799 138 HA PRO 19 HA PRO 19 -5.344 14.384 1.582 139 HB2 PRO 19 HB2 PRO 19 -6.344 14.761 -1.188 140 HB3 PRO 19 HB1 PRO 19 -6.840 15.588 0.291 141 HG2 PRO 19 HG2 PRO 19 -5.463 16.859 -1.660 142 HG3 PRO 19 HG1 PRO 19 -5.235 17.253 0.060 143 HD2 PRO 19 HD2 PRO 19 -3.532 15.489 -1.721 144 HD3 PRO 19 HD1 PRO 19 -3.025 16.771 -0.589 145 H ARG 20 HN ARG 20 -6.073 12.229 1.656 146 HA ARG 20 HA ARG 20 -4.666 10.245 0.175 147 HB2 ARG 20 HB2 ARG 20 -6.092 8.559 1.317 148 HB3 ARG 20 HB1 ARG 20 -5.349 9.696 2.416 149 HG2 ARG 20 HG2 ARG 20 -7.495 9.359 3.294 150 HG3 ARG 20 HG1 ARG 20 -7.609 10.911 2.472 151 HD2 ARG 20 HD2 ARG 20 -8.821 9.905 0.625 152 HD3 ARG 20 HD1 ARG 20 -8.538 8.287 1.262 153 HE ARG 20 HE ARG 20 -10.344 8.536 2.595 154 HH11 ARG 20 HH11 ARG 20 -9.336 11.818 1.743 155 HH12 ARG 20 HH12 ARG 20 -10.700 12.546 2.524 156 HH21 ARG 20 HH21 ARG 20 -12.080 9.539 3.621 157 HH22 ARG 20 HH22 ARG 20 -12.248 11.263 3.580 158 H GLU 21 HN GLU 21 -7.391 12.030 -0.697 159 HA GLU 21 HA GLU 21 -8.740 9.960 -2.237 160 HB2 GLU 21 HB2 GLU 21 -10.312 11.840 -2.872 161 HB3 GLU 21 HB1 GLU 21 -10.236 11.490 -1.152 162 HG2 GLU 21 HG2 GLU 21 -8.433 13.670 -2.123 163 HG3 GLU 21 HG1 GLU 21 -10.164 14.008 -2.201 164 H THR 22 HN THR 22 -6.328 12.452 -2.682 165 HA THR 22 HA THR 22 -6.490 12.473 -5.569 166 HB THR 22 HB THR 22 -4.416 13.800 -5.510 167 HG1 THR 22 HG1 THR 22 -4.116 12.650 -3.052 168 HG21 THR 22 HG21 THR 22 -6.522 15.006 -5.046 169 HG22 THR 22 HG22 THR 22 -5.172 15.729 -4.170 170 HG23 THR 22 HG23 THR 22 -6.324 14.699 -3.319 171 H ILE 23 HN ILE 23 -5.364 10.209 -3.308 172 HA ILE 23 HA ILE 23 -3.399 8.937 -5.088 173 HB ILE 23 HB ILE 23 -4.344 8.360 -2.236 174 HG12 ILE 23 HG12 ILE 23 -1.851 8.558 -1.708 175 HG13 ILE 23 HG11 ILE 23 -1.615 9.115 -3.359 176 HG21 ILE 23 HG21 ILE 23 -2.811 6.423 -2.152 177 HG22 ILE 23 HG22 ILE 23 -2.521 6.591 -3.885 178 HG23 ILE 23 HG23 ILE 23 -4.135 6.186 -3.295 179 HD11 ILE 23 HD11 ILE 23 -3.257 10.480 -1.240 180 HD12 ILE 23 HD12 ILE 23 -3.007 11.053 -2.891 181 HD13 ILE 23 HD13 ILE 23 -1.642 10.936 -1.784 182 H THR 24 HN THR 24 -4.299 7.665 -6.689 183 HA THR 24 HA THR 24 -6.928 6.354 -6.280 184 HB THR 24 HB THR 24 -6.913 6.026 -8.766 185 HG1 THR 24 HG1 THR 24 -4.975 7.714 -9.474 186 HG21 THR 24 HG21 THR 24 -7.938 8.085 -7.863 187 HG22 THR 24 HG22 THR 24 -7.182 8.391 -9.427 188 HG23 THR 24 HG23 THR 24 -6.377 8.908 -7.942 189 HA PRO 25 HA PRO 25 -5.134 2.228 -6.057 190 HB2 PRO 25 HB2 PRO 25 -7.134 1.192 -8.033 191 HB3 PRO 25 HB1 PRO 25 -6.861 0.715 -6.351 192 HG2 PRO 25 HG2 PRO 25 -9.013 2.155 -7.025 193 HG3 PRO 25 HG1 PRO 25 -8.150 2.471 -5.503 194 HD2 PRO 25 HD2 PRO 25 -7.976 3.979 -8.123 195 HD3 PRO 25 HD1 PRO 25 -8.131 4.616 -6.468 196 H GLU 26 HN GLU 26 -5.614 3.667 -9.219 197 HA GLU 26 HA GLU 26 -3.869 1.765 -10.610 198 HB2 GLU 26 HB2 GLU 26 -4.559 3.023 -12.651 199 HB3 GLU 26 HB1 GLU 26 -5.936 2.402 -11.747 200 HG2 GLU 26 HG2 GLU 26 -6.359 4.629 -10.800 201 HG3 GLU 26 HG1 GLU 26 -4.951 5.278 -11.646 202 H SER 27 HN SER 27 -3.307 4.277 -8.640 203 HA SER 27 HA SER 27 -1.559 5.941 -10.261 204 HB2 SER 27 HB2 SER 27 -2.900 7.008 -8.499 205 HB3 SER 27 HB1 SER 27 -2.168 5.986 -7.268 206 HG SER 27 HG SER 27 -0.423 7.477 -8.856 207 H HIS 28 HN HIS 28 0.604 5.771 -10.385 208 HA HIS 28 HA HIS 28 2.153 3.940 -8.760 209 HB2 HIS 28 HB2 HIS 28 2.612 4.550 -11.226 210 HB3 HIS 28 HB1 HIS 28 3.207 6.099 -10.641 211 HD2 HIS 28 HD2 HIS 28 4.317 2.469 -11.046 212 HE1 HIS 28 HE1 HIS 28 7.440 4.528 -9.104 213 HE2 HIS 28 HE2 HIS 28 6.833 2.488 -10.459 214 H ALA 29 HN ALA 29 2.579 4.510 -6.670 215 HA ALA 29 HA ALA 29 2.050 6.953 -5.486 216 HB1 ALA 29 HB1 ALA 29 3.140 6.004 -3.506 217 HB2 ALA 29 HB2 ALA 29 3.911 4.766 -4.506 218 HB3 ALA 29 HB3 ALA 29 2.157 4.785 -4.325 219 H ILE 30 HN ILE 30 4.873 6.092 -7.253 220 HA ILE 30 HA ILE 30 6.565 8.163 -5.996 221 HB ILE 30 HB ILE 30 7.190 5.798 -7.792 222 HG12 ILE 30 HG12 ILE 30 8.056 6.422 -4.937 223 HG13 ILE 30 HG11 ILE 30 6.773 5.302 -5.385 224 HG21 ILE 30 HG21 ILE 30 8.682 7.599 -8.516 225 HG22 ILE 30 HG22 ILE 30 9.585 6.340 -7.677 226 HG23 ILE 30 HG23 ILE 30 9.211 7.852 -6.851 227 HD11 ILE 30 HD11 ILE 30 9.699 4.995 -6.037 228 HD12 ILE 30 HD12 ILE 30 8.412 3.869 -6.483 229 HD13 ILE 30 HD13 ILE 30 8.798 4.139 -4.784 230 H ASP 31 HN ASP 31 5.142 7.181 -9.108 231 HA ASP 31 HA ASP 31 6.500 9.223 -10.648 232 HB2 ASP 31 HB2 ASP 31 6.001 6.988 -11.610 233 HB3 ASP 31 HB1 ASP 31 4.275 7.316 -11.478 234 H ASP 32 HN ASP 32 3.067 8.679 -9.677 235 HA ASP 32 HA ASP 32 2.103 11.004 -11.104 236 HB2 ASP 32 HB2 ASP 32 0.747 9.113 -9.138 237 HB3 ASP 32 HB1 ASP 32 -0.095 10.457 -9.911 238 H LEU 33 HN LEU 33 2.511 10.086 -7.717 239 HA LEU 33 HA LEU 33 1.564 12.572 -6.643 240 HB2 LEU 33 HB2 LEU 33 3.158 10.368 -5.288 241 HB3 LEU 33 HB1 LEU 33 2.255 11.641 -4.476 242 HG LEU 33 HG LEU 33 1.021 9.434 -6.186 243 HD11 LEU 33 HD11 LEU 33 0.167 8.509 -4.089 244 HD12 LEU 33 HD12 LEU 33 1.036 9.740 -3.168 245 HD13 LEU 33 HD13 LEU 33 1.928 8.539 -4.107 246 HD21 LEU 33 HD21 LEU 33 -1.158 10.225 -5.346 247 HD22 LEU 33 HD22 LEU 33 -0.338 11.486 -6.263 248 HD23 LEU 33 HD23 LEU 33 -0.363 11.556 -4.499 249 H GLY 34 HN GLY 34 4.525 11.664 -8.039 250 HA2 GLY 34 HA2 GLY 34 6.524 12.742 -8.339 251 HA3 GLY 34 HA1 GLY 34 5.789 14.177 -7.634 252 H ILE 35 HN ILE 35 6.200 11.028 -6.125 253 HA ILE 35 HA ILE 35 7.769 12.207 -3.917 254 HB ILE 35 HB ILE 35 6.179 9.598 -4.117 255 HG12 ILE 35 HG12 ILE 35 5.601 12.098 -2.458 256 HG13 ILE 35 HG11 ILE 35 4.764 11.658 -3.943 257 HG21 ILE 35 HG21 ILE 35 6.648 9.260 -1.704 258 HG22 ILE 35 HG22 ILE 35 7.698 10.675 -1.711 259 HG23 ILE 35 HG23 ILE 35 8.133 9.253 -2.660 260 HD11 ILE 35 HD11 ILE 35 4.715 10.142 -1.341 261 HD12 ILE 35 HD12 ILE 35 3.908 9.638 -2.827 262 HD13 ILE 35 HD13 ILE 35 3.423 11.129 -2.022 263 H ASP 36 HN ASP 36 9.956 11.721 -3.930 264 HA ASP 36 HA ASP 36 11.196 10.089 -5.864 265 HB2 ASP 36 HB2 ASP 36 12.280 10.955 -3.141 266 HB3 ASP 36 HB1 ASP 36 13.256 10.297 -4.450 267 H SER 37 HN SER 37 12.271 8.038 -5.645 268 HA SER 37 HA SER 37 10.855 6.006 -4.276 269 HB2 SER 37 HB2 SER 37 13.650 5.910 -5.496 270 HB3 SER 37 HB1 SER 37 12.662 4.507 -5.079 271 HG SER 37 HG SER 37 11.254 6.173 -6.657 272 H LEU 38 HN LEU 38 13.574 8.035 -3.424 273 HA LEU 38 HA LEU 38 14.516 6.530 -1.151 274 HB2 LEU 38 HB2 LEU 38 14.981 9.445 -1.888 275 HB3 LEU 38 HB1 LEU 38 15.859 8.545 -0.656 276 HG LEU 38 HG LEU 38 15.970 8.052 -3.662 277 HD11 LEU 38 HD11 LEU 38 17.159 10.074 -2.967 278 HD12 LEU 38 HD12 LEU 38 18.294 8.827 -3.472 279 HD13 LEU 38 HD13 LEU 38 18.054 9.156 -1.753 280 HD21 LEU 38 HD21 LEU 38 16.181 5.918 -2.485 281 HD22 LEU 38 HD22 LEU 38 17.427 6.589 -1.428 282 HD23 LEU 38 HD23 LEU 38 17.739 6.398 -3.156 283 H ASP 39 HN ASP 39 12.372 9.293 -1.728 284 HA ASP 39 HA ASP 39 11.772 9.864 1.022 285 HB2 ASP 39 HB2 ASP 39 11.588 11.524 -0.894 286 HB3 ASP 39 HB1 ASP 39 10.190 10.632 -1.480 287 H PHE 40 HN PHE 40 10.524 7.693 -1.398 288 HA PHE 40 HA PHE 40 8.049 7.015 -0.115 289 HB2 PHE 40 HB2 PHE 40 8.381 6.737 -2.555 290 HB3 PHE 40 HB1 PHE 40 9.625 5.530 -2.255 291 HD1 PHE 40 HD1 PHE 40 5.984 6.233 -1.817 292 HD2 PHE 40 HD2 PHE 40 9.031 3.224 -1.910 293 HE1 PHE 40 HE1 PHE 40 4.267 4.478 -1.762 294 HE2 PHE 40 HE2 PHE 40 7.298 1.479 -1.856 295 HZ PHE 40 HZ PHE 40 4.921 2.106 -1.785 296 H LEU 41 HN LEU 41 11.394 5.846 0.074 297 HA LEU 41 HA LEU 41 11.064 3.458 1.508 298 HB2 LEU 41 HB2 LEU 41 13.219 5.565 1.935 299 HB3 LEU 41 HB1 LEU 41 13.308 3.896 2.486 300 HG LEU 41 HG LEU 41 13.258 4.804 -0.420 301 HD11 LEU 41 HD11 LEU 41 15.381 5.342 0.658 302 HD12 LEU 41 HD12 LEU 41 15.585 4.046 -0.517 303 HD13 LEU 41 HD13 LEU 41 15.548 3.675 1.210 304 HD21 LEU 41 HD21 LEU 41 13.588 1.999 0.687 305 HD22 LEU 41 HD22 LEU 41 13.705 2.471 -1.011 306 HD23 LEU 41 HD23 LEU 41 12.169 2.616 -0.160 307 H ASP 42 HN ASP 42 10.827 6.795 2.584 308 HA ASP 42 HA ASP 42 10.644 6.294 5.407 309 HB2 ASP 42 HB2 ASP 42 11.356 8.497 4.445 310 HB3 ASP 42 HB1 ASP 42 9.727 8.739 3.831 311 H ILE 43 HN ILE 43 8.247 6.839 2.809 312 HA ILE 43 HA ILE 43 5.909 6.692 4.401 313 HB ILE 43 HB ILE 43 6.177 5.784 1.497 314 HG12 ILE 43 HG12 ILE 43 5.496 8.562 2.574 315 HG13 ILE 43 HG11 ILE 43 6.992 8.116 1.760 316 HG21 ILE 43 HG21 ILE 43 3.711 6.675 3.046 317 HG22 ILE 43 HG22 ILE 43 4.077 5.024 2.539 318 HG23 ILE 43 HG23 ILE 43 3.757 6.264 1.329 319 HD11 ILE 43 HD11 ILE 43 5.707 7.658 -0.292 320 HD12 ILE 43 HD12 ILE 43 5.526 9.323 0.267 321 HD13 ILE 43 HD13 ILE 43 4.231 8.157 0.541 322 H ALA 44 HN ALA 44 7.884 4.220 2.843 323 HA ALA 44 HA ALA 44 6.126 2.014 3.317 324 HB1 ALA 44 HB1 ALA 44 9.056 2.075 2.499 325 HB2 ALA 44 HB2 ALA 44 7.676 2.046 1.400 326 HB3 ALA 44 HB3 ALA 44 7.999 0.656 2.442 327 H PHE 45 HN PHE 45 8.927 3.449 4.943 328 HA PHE 45 HA PHE 45 9.362 1.655 7.024 329 HB2 PHE 45 HB2 PHE 45 10.600 3.849 6.349 330 HB3 PHE 45 HB1 PHE 45 9.432 4.689 7.353 331 HD1 PHE 45 HD1 PHE 45 12.358 2.457 7.325 332 HD2 PHE 45 HD2 PHE 45 9.540 4.487 9.821 333 HE1 PHE 45 HE1 PHE 45 13.815 2.101 9.268 334 HE2 PHE 45 HE2 PHE 45 11.009 4.123 11.758 335 HZ PHE 45 HZ PHE 45 13.147 2.933 11.485 336 H ALA 46 HN ALA 46 6.977 4.263 6.710 337 HA ALA 46 HA ALA 46 5.749 3.999 9.269 338 HB1 ALA 46 HB1 ALA 46 5.608 6.069 7.971 339 HB2 ALA 46 HB2 ALA 46 3.991 5.463 8.336 340 HB3 ALA 46 HB3 ALA 46 4.675 5.245 6.723 341 H ILE 47 HN ILE 47 4.955 2.714 6.045 342 HA ILE 47 HA ILE 47 2.510 1.425 6.688 343 HB ILE 47 HB ILE 47 4.529 0.857 4.467 344 HG12 ILE 47 HG12 ILE 47 1.879 2.370 4.342 345 HG13 ILE 47 HG11 ILE 47 3.462 3.131 4.405 346 HG21 ILE 47 HG21 ILE 47 2.744 -0.377 3.305 347 HG22 ILE 47 HG22 ILE 47 1.689 -0.187 4.704 348 HG23 ILE 47 HG23 ILE 47 3.165 -1.145 4.835 349 HD11 ILE 47 HD11 ILE 47 4.017 2.140 2.222 350 HD12 ILE 47 HD12 ILE 47 2.569 3.145 2.152 351 HD13 ILE 47 HD13 ILE 47 2.419 1.388 2.168 352 H ASP 48 HN ASP 48 5.852 0.315 6.597 353 HA ASP 48 HA ASP 48 5.666 -2.406 7.059 354 HB2 ASP 48 HB2 ASP 48 7.733 -1.109 6.482 355 HB3 ASP 48 HB1 ASP 48 7.758 -0.449 8.104 356 H LYS 49 HN LYS 49 5.942 0.235 9.423 357 HA LYS 49 HA LYS 49 5.623 -1.415 11.746 358 HB2 LYS 49 HB2 LYS 49 5.407 1.595 11.400 359 HB3 LYS 49 HB1 LYS 49 5.341 0.777 12.963 360 HG2 LYS 49 HG2 LYS 49 7.607 -0.185 12.491 361 HG3 LYS 49 HG1 LYS 49 7.675 0.804 11.027 362 HD2 LYS 49 HD2 LYS 49 7.597 2.851 12.344 363 HD3 LYS 49 HD1 LYS 49 7.300 1.939 13.828 364 HE2 LYS 49 HE2 LYS 49 9.547 0.916 13.649 365 HE3 LYS 49 HE1 LYS 49 9.848 1.820 12.166 366 HZ1 LYS 49 HZ1 LYS 49 9.367 3.015 14.841 367 HZ2 LYS 49 HZ2 LYS 49 9.701 3.868 13.423 368 HZ3 LYS 49 HZ3 LYS 49 10.874 2.852 14.089 369 H ALA 50 HN ALA 50 3.366 0.629 9.890 370 HA ALA 50 HA ALA 50 1.193 0.689 11.614 371 HB1 ALA 50 HB1 ALA 50 1.112 0.701 8.576 372 HB2 ALA 50 HB2 ALA 50 1.390 2.105 9.607 373 HB3 ALA 50 HB3 ALA 50 -0.167 1.280 9.654 374 H PHE 51 HN PHE 51 1.812 -1.634 8.983 375 HA PHE 51 HA PHE 51 -0.433 -3.332 9.761 376 HB2 PHE 51 HB2 PHE 51 1.632 -3.587 7.539 377 HB3 PHE 51 HB1 PHE 51 0.324 -4.735 7.801 378 HD1 PHE 51 HD2 PHE 51 1.127 -1.283 6.726 379 HD2 PHE 51 HD1 PHE 51 -1.969 -4.193 7.187 380 HE1 PHE 51 HE2 PHE 51 -0.367 0.073 5.317 381 HE2 PHE 51 HE1 PHE 51 -3.452 -2.826 5.779 382 HZ PHE 51 HZ PHE 51 -2.649 -0.701 4.840 383 H GLY 52 HN GLY 52 2.733 -2.970 10.822 384 HA2 GLY 52 HA2 GLY 52 4.115 -4.185 12.164 385 HA3 GLY 52 HA1 GLY 52 2.745 -5.237 12.485 386 H ILE 53 HN ILE 53 4.219 -4.654 9.352 387 HA ILE 53 HA ILE 53 4.844 -7.544 9.080 388 HB ILE 53 HB ILE 53 4.479 -7.226 6.630 389 HG12 ILE 53 HG12 ILE 53 3.371 -4.468 7.347 390 HG13 ILE 53 HG11 ILE 53 4.934 -4.721 6.589 391 HG21 ILE 53 HG21 ILE 53 2.076 -6.479 8.334 392 HG22 ILE 53 HG22 ILE 53 2.657 -8.113 8.015 393 HG23 ILE 53 HG23 ILE 53 2.013 -7.138 6.696 394 HD11 ILE 53 HD11 ILE 53 2.241 -5.406 5.446 395 HD12 ILE 53 HD12 ILE 53 3.790 -5.731 4.661 396 HD13 ILE 53 HD13 ILE 53 3.284 -4.068 4.968 397 H LYS 54 HN LYS 54 6.580 -8.001 7.450 398 HA LYS 54 HA LYS 54 8.666 -5.926 7.387 399 HB2 LYS 54 HB2 LYS 54 9.408 -8.087 8.341 400 HB3 LYS 54 HB1 LYS 54 8.921 -8.924 6.872 401 HG2 LYS 54 HG2 LYS 54 11.349 -8.588 6.904 402 HG3 LYS 54 HG1 LYS 54 10.617 -7.668 5.581 403 HD2 LYS 54 HD2 LYS 54 10.700 -5.611 7.025 404 HD3 LYS 54 HD1 LYS 54 11.525 -6.552 8.270 405 HE2 LYS 54 HE2 LYS 54 13.412 -6.940 6.701 406 HE3 LYS 54 HE1 LYS 54 12.570 -5.991 5.470 407 HZ1 LYS 54 HZ1 LYS 54 12.693 -4.070 6.893 408 HZ2 LYS 54 HZ2 LYS 54 14.244 -4.704 6.665 409 HZ3 LYS 54 HZ3 LYS 54 13.425 -4.968 8.119 410 H LEU 55 HN LEU 55 8.034 -4.684 5.695 411 HA LEU 55 HA LEU 55 7.505 -5.622 3.046 412 HB2 LEU 55 HB2 LEU 55 8.520 -2.936 4.080 413 HB3 LEU 55 HB1 LEU 55 8.088 -3.243 2.401 414 HG LEU 55 HG LEU 55 6.136 -3.381 4.746 415 HD11 LEU 55 HD11 LEU 55 6.866 -1.080 4.337 416 HD12 LEU 55 HD12 LEU 55 5.190 -1.302 3.840 417 HD13 LEU 55 HD13 LEU 55 6.468 -1.238 2.623 418 HD21 LEU 55 HD21 LEU 55 4.387 -3.515 3.027 419 HD22 LEU 55 HD22 LEU 55 5.495 -4.877 2.896 420 HD23 LEU 55 HD23 LEU 55 5.612 -3.535 1.758 421 HA PRO 56 HA PRO 56 12.001 -6.221 2.232 422 HB2 PRO 56 HB2 PRO 56 11.795 -7.988 0.218 423 HB3 PRO 56 HB1 PRO 56 11.526 -8.494 1.890 424 HG2 PRO 56 HG2 PRO 56 9.506 -7.868 -0.254 425 HG3 PRO 56 HG1 PRO 56 9.506 -9.198 0.926 426 HD2 PRO 56 HD2 PRO 56 8.071 -6.828 1.232 427 HD3 PRO 56 HD1 PRO 56 8.556 -7.886 2.571 428 H LEU 57 HN LEU 57 11.235 -3.892 1.732 429 HA LEU 57 HA LEU 57 10.461 -3.047 -0.856 430 HB2 LEU 57 HB2 LEU 57 10.544 -1.787 1.523 431 HB3 LEU 57 HB1 LEU 57 12.098 -1.242 0.950 432 HG LEU 57 HG LEU 57 10.467 0.498 0.569 433 HD11 LEU 57 HD11 LEU 57 12.150 0.293 -1.177 434 HD12 LEU 57 HD12 LEU 57 10.635 0.931 -1.809 435 HD13 LEU 57 HD13 LEU 57 11.079 -0.753 -2.110 436 HD21 LEU 57 HD21 LEU 57 8.460 0.228 -0.797 437 HD22 LEU 57 HD22 LEU 57 8.432 -0.837 0.607 438 HD23 LEU 57 HD23 LEU 57 8.806 -1.495 -0.986 439 H GLU 58 HN GLU 58 13.634 -3.535 0.697 440 HA GLU 58 HA GLU 58 15.278 -2.517 -1.377 441 HB2 GLU 58 HB2 GLU 58 17.116 -3.833 -0.335 442 HB3 GLU 58 HB1 GLU 58 16.211 -2.908 0.854 443 HG2 GLU 58 HG2 GLU 58 15.081 -4.890 1.646 444 HG3 GLU 58 HG1 GLU 58 15.740 -5.859 0.333 445 H LYS 59 HN LYS 59 14.044 -5.801 -0.743 446 HA LYS 59 HA LYS 59 15.204 -7.229 -2.839 447 HB2 LYS 59 HB2 LYS 59 14.080 -8.370 -1.039 448 HB3 LYS 59 HB1 LYS 59 12.581 -7.516 -1.337 449 HG2 LYS 59 HG2 LYS 59 12.304 -9.785 -2.020 450 HG3 LYS 59 HG1 LYS 59 12.309 -8.777 -3.468 451 HD2 LYS 59 HD2 LYS 59 14.640 -9.454 -3.944 452 HD3 LYS 59 HD1 LYS 59 14.678 -10.406 -2.452 453 HE2 LYS 59 HE2 LYS 59 12.804 -11.802 -3.364 454 HE3 LYS 59 HE1 LYS 59 12.920 -10.902 -4.879 455 HZ1 LYS 59 HZ1 LYS 59 14.097 -12.999 -4.965 456 HZ2 LYS 59 HZ2 LYS 59 15.081 -12.541 -3.670 457 HZ3 LYS 59 HZ3 LYS 59 15.166 -11.706 -5.134 458 H TRP 60 HN TRP 60 12.130 -5.451 -2.725 459 HA TRP 60 HA TRP 60 11.192 -6.057 -5.323 460 HB2 TRP 60 HB2 TRP 60 10.584 -3.655 -3.543 461 HB3 TRP 60 HB1 TRP 60 9.658 -4.097 -4.974 462 HD1 TRP 60 HD1 TRP 60 10.006 -7.382 -3.819 463 HE1 TRP 60 HE1 TRP 60 8.204 -8.091 -2.134 464 HE3 TRP 60 HE3 TRP 60 8.296 -2.761 -2.458 465 HZ2 TRP 60 HZ2 TRP 60 6.328 -6.880 -0.451 466 HZ3 TRP 60 HZ3 TRP 60 6.486 -2.625 -0.794 467 HH2 TRP 60 HH2 TRP 60 5.523 -4.647 0.183 468 H THR 61 HN THR 61 12.978 -3.295 -4.039 469 HA THR 61 HA THR 61 13.219 -1.752 -6.399 470 HB THR 61 HB THR 61 14.892 -1.789 -3.850 471 HG1 THR 61 HG1 THR 61 12.591 -1.236 -3.727 472 HG21 THR 61 HG21 THR 61 15.604 0.511 -4.449 473 HG22 THR 61 HG22 THR 61 14.798 0.344 -6.011 474 HG23 THR 61 HG23 THR 61 16.184 -0.674 -5.625 475 H GLN 62 HN GLN 62 15.092 -4.440 -5.084 476 HA GLN 62 HA GLN 62 17.432 -4.099 -6.716 477 HB2 GLN 62 HB2 GLN 62 17.467 -5.249 -4.507 478 HB3 GLN 62 HB1 GLN 62 16.408 -6.505 -5.139 479 HG2 GLN 62 HG2 GLN 62 18.185 -7.153 -6.756 480 HG3 GLN 62 HG1 GLN 62 19.242 -5.918 -6.068 481 HE21 GLN 62 HE21 GLN 62 17.701 -9.010 -5.512 482 HE22 GLN 62 HE22 GLN 62 18.670 -9.471 -4.160 483 H GLU 63 HN GLU 63 14.524 -6.174 -6.764 484 HA GLU 63 HA GLU 63 15.020 -7.641 -9.099 485 HB2 GLU 63 HB2 GLU 63 12.387 -6.801 -7.807 486 HB3 GLU 63 HB1 GLU 63 12.487 -7.924 -9.166 487 HG2 GLU 63 HG2 GLU 63 13.835 -9.467 -7.816 488 HG3 GLU 63 HG1 GLU 63 13.779 -8.348 -6.455 489 H VAL 64 HN VAL 64 13.620 -4.418 -8.677 490 HA VAL 64 HA VAL 64 12.953 -3.958 -11.403 491 HB VAL 64 HB VAL 64 13.718 -1.914 -9.271 492 HG11 VAL 64 HG11 VAL 64 12.367 -1.494 -11.964 493 HG12 VAL 64 HG12 VAL 64 13.989 -0.955 -11.520 494 HG13 VAL 64 HG13 VAL 64 12.576 -0.248 -10.731 495 HG21 VAL 64 HG21 VAL 64 10.957 -2.816 -10.198 496 HG22 VAL 64 HG22 VAL 64 11.285 -1.560 -9.000 497 HG23 VAL 64 HG23 VAL 64 11.715 -3.235 -8.658 498 H ASN 65 HN ASN 65 15.893 -3.279 -9.508 499 HA ASN 65 HA ASN 65 17.409 -1.994 -11.496 500 HB2 ASN 65 HB2 ASN 65 18.236 -3.467 -8.962 501 HB3 ASN 65 HB1 ASN 65 19.390 -2.594 -9.969 502 HD21 ASN 65 HD21 ASN 65 18.523 -2.130 -7.178 503 HD22 ASN 65 HD22 ASN 65 17.997 -0.483 -7.135 504 H ASP 66 HN ASP 66 17.298 -5.497 -10.637 505 HA ASP 66 HA ASP 66 19.206 -6.212 -12.704 506 HB2 ASP 66 HB2 ASP 66 17.562 -7.908 -10.788 507 HB3 ASP 66 HB1 ASP 66 18.695 -8.580 -11.957 508 H GLY 67 HN GLY 67 16.077 -5.315 -12.963 509 HA2 GLY 67 HA2 GLY 67 14.340 -5.675 -14.386 510 HA3 GLY 67 HA1 GLY 67 15.518 -6.405 -15.462 511 H LYS 68 HN LYS 68 14.843 -7.719 -12.306 512 HA LYS 68 HA LYS 68 13.743 -10.206 -13.278 513 HB2 LYS 68 HB2 LYS 68 13.816 -9.102 -10.445 514 HB3 LYS 68 HB1 LYS 68 13.564 -10.787 -10.897 515 HG2 LYS 68 HG2 LYS 68 16.136 -9.297 -11.501 516 HG3 LYS 68 HG1 LYS 68 15.858 -10.099 -9.960 517 HD2 LYS 68 HD2 LYS 68 17.118 -11.648 -11.206 518 HD3 LYS 68 HD1 LYS 68 15.467 -12.248 -11.320 519 HE2 LYS 68 HE2 LYS 68 15.290 -11.279 -13.595 520 HE3 LYS 68 HE1 LYS 68 16.947 -10.679 -13.473 521 HZ1 LYS 68 HZ1 LYS 68 17.669 -12.988 -13.206 522 HZ2 LYS 68 HZ2 LYS 68 16.889 -12.724 -14.680 523 HZ3 LYS 68 HZ3 LYS 68 16.079 -13.515 -13.426 524 H ALA 69 HN ALA 69 12.591 -7.179 -11.949 525 HA ALA 69 HA ALA 69 9.808 -7.762 -12.640 526 HB1 ALA 69 HB1 ALA 69 10.646 -6.807 -9.865 527 HB2 ALA 69 HB2 ALA 69 9.967 -8.392 -10.246 528 HB3 ALA 69 HB3 ALA 69 8.985 -6.941 -10.456 529 H THR 70 HN THR 70 8.524 -5.661 -12.424 530 HA THR 70 HA THR 70 10.162 -3.392 -13.410 531 HB THR 70 HB THR 70 7.882 -2.711 -14.459 532 HG1 THR 70 HG1 THR 70 6.471 -4.028 -13.411 533 HG21 THR 70 HG21 THR 70 8.139 -4.219 -16.388 534 HG22 THR 70 HG22 THR 70 9.163 -5.293 -15.430 535 HG23 THR 70 HG23 THR 70 9.720 -3.665 -15.821 536 H THR 71 HN THR 71 9.235 -1.184 -12.969 537 HA THR 71 HA THR 71 9.209 -0.684 -10.216 538 HB THR 71 HB THR 71 8.454 1.691 -10.895 539 HG1 THR 71 HG1 THR 71 8.481 2.081 -13.170 540 HG21 THR 71 HG21 THR 71 10.872 0.560 -12.347 541 HG22 THR 71 HG22 THR 71 10.850 1.125 -10.677 542 HG23 THR 71 HG23 THR 71 10.578 2.270 -11.994 543 H GLU 72 HN GLU 72 6.493 -0.059 -12.487 544 HA GLU 72 HA GLU 72 4.636 0.634 -10.559 545 HB2 GLU 72 HB2 GLU 72 2.909 0.112 -12.473 546 HB3 GLU 72 HB1 GLU 72 4.060 1.415 -12.653 547 HG2 GLU 72 HG2 GLU 72 3.886 0.291 -14.744 548 HG3 GLU 72 HG1 GLU 72 5.474 -0.057 -14.067 549 H GLN 73 HN GLN 73 5.449 -2.549 -11.673 550 HA GLN 73 HA GLN 73 3.322 -4.104 -10.799 551 HB2 GLN 73 HB2 GLN 73 5.170 -4.946 -12.169 552 HB3 GLN 73 HB1 GLN 73 6.298 -4.757 -10.834 553 HG2 GLN 73 HG2 GLN 73 5.179 -6.540 -9.596 554 HG3 GLN 73 HG1 GLN 73 3.941 -6.660 -10.848 555 HE21 GLN 73 HE21 GLN 73 4.420 -8.840 -11.159 556 HE22 GLN 73 HE22 GLN 73 5.850 -9.367 -11.977 557 H TYR 74 HN TYR 74 5.800 -2.573 -8.831 558 HA TYR 74 HA TYR 74 4.619 -3.747 -6.374 559 HB2 TYR 74 HB2 TYR 74 7.315 -2.383 -6.804 560 HB3 TYR 74 HB1 TYR 74 6.706 -2.914 -5.236 561 HD1 TYR 74 HD2 TYR 74 5.752 -5.482 -5.354 562 HD2 TYR 74 HD1 TYR 74 8.896 -3.864 -7.768 563 HE1 TYR 74 HE2 TYR 74 6.644 -7.734 -5.693 564 HE2 TYR 74 HE1 TYR 74 9.785 -6.139 -8.092 565 HH TYR 74 HH TYR 74 9.699 -8.323 -6.913 566 H PHE 75 HN PHE 75 5.439 -0.678 -8.001 567 HA PHE 75 HA PHE 75 4.820 0.821 -5.548 568 HB2 PHE 75 HB2 PHE 75 6.373 1.626 -8.049 569 HB3 PHE 75 HB1 PHE 75 6.176 2.616 -6.602 570 HD1 PHE 75 HD1 PHE 75 6.999 1.548 -4.343 571 HD2 PHE 75 HD2 PHE 75 8.288 0.188 -8.180 572 HE1 PHE 75 HE1 PHE 75 8.966 0.487 -3.310 573 HE2 PHE 75 HE2 PHE 75 10.256 -0.867 -7.146 574 HZ PHE 75 HZ PHE 75 10.598 -0.730 -4.708 575 H VAL 76 HN VAL 76 2.862 -0.232 -7.716 576 HA VAL 76 HA VAL 76 1.294 2.293 -7.903 577 HB VAL 76 HB VAL 76 1.011 -0.325 -9.444 578 HG11 VAL 76 HG11 VAL 76 -1.267 0.268 -8.723 579 HG12 VAL 76 HG12 VAL 76 -1.079 0.523 -10.457 580 HG13 VAL 76 HG13 VAL 76 -1.059 1.905 -9.357 581 HG21 VAL 76 HG21 VAL 76 2.537 1.380 -10.383 582 HG22 VAL 76 HG22 VAL 76 1.214 2.547 -10.398 583 HG23 VAL 76 HG23 VAL 76 1.136 1.112 -11.426 584 H LEU 77 HN LEU 77 -0.727 2.325 -6.894 585 HA LEU 77 HA LEU 77 -0.623 1.386 -4.291 586 HB2 LEU 77 HB2 LEU 77 -2.644 2.874 -5.918 587 HB3 LEU 77 HB1 LEU 77 -3.200 2.207 -4.401 588 HG LEU 77 HG LEU 77 -2.550 4.526 -4.125 589 HD11 LEU 77 HD11 LEU 77 -0.622 2.688 -2.683 590 HD12 LEU 77 HD12 LEU 77 -2.294 3.016 -2.222 591 HD13 LEU 77 HD13 LEU 77 -1.105 4.314 -2.184 592 HD21 LEU 77 HD21 LEU 77 0.246 3.722 -4.983 593 HD22 LEU 77 HD22 LEU 77 -0.231 5.296 -4.333 594 HD23 LEU 77 HD23 LEU 77 -0.878 4.751 -5.878 595 H LYS 78 HN LYS 78 -2.615 0.074 -6.956 596 HA LYS 78 HA LYS 78 -4.147 -1.769 -5.434 597 HB2 LYS 78 HB2 LYS 78 -4.474 -2.990 -7.610 598 HB3 LYS 78 HB1 LYS 78 -4.759 -1.258 -7.756 599 HG2 LYS 78 HG2 LYS 78 -2.567 -0.943 -8.778 600 HG3 LYS 78 HG1 LYS 78 -2.184 -2.647 -8.556 601 HD2 LYS 78 HD2 LYS 78 -4.005 -3.242 -10.132 602 HD3 LYS 78 HD1 LYS 78 -4.350 -1.523 -10.372 603 HE2 LYS 78 HE2 LYS 78 -2.059 -1.191 -11.275 604 HE3 LYS 78 HE1 LYS 78 -1.705 -2.903 -11.018 605 HZ1 LYS 78 HZ1 LYS 78 -3.830 -1.874 -12.811 606 HZ2 LYS 78 HZ2 LYS 78 -3.326 -3.480 -12.641 607 HZ3 LYS 78 HZ3 LYS 78 -2.286 -2.335 -13.315 608 H ASN 79 HN ASN 79 -0.982 -1.994 -6.930 609 HA ASN 79 HA ASN 79 -0.541 -4.803 -6.522 610 HB2 ASN 79 HB2 ASN 79 1.348 -2.544 -7.345 611 HB3 ASN 79 HB1 ASN 79 1.731 -4.264 -7.428 612 HD21 ASN 79 HD21 ASN 79 1.454 -2.122 -9.506 613 HD22 ASN 79 HD22 ASN 79 0.392 -2.787 -10.689 614 H LEU 80 HN LEU 80 0.621 -1.802 -5.101 615 HA LEU 80 HA LEU 80 2.493 -2.725 -3.266 616 HB2 LEU 80 HB2 LEU 80 2.293 -0.363 -3.990 617 HB3 LEU 80 HB1 LEU 80 0.743 -0.232 -3.178 618 HG LEU 80 HG LEU 80 1.908 -0.588 -0.980 619 HD11 LEU 80 HD11 LEU 80 3.882 -1.825 -1.740 620 HD12 LEU 80 HD12 LEU 80 4.352 -0.386 -0.841 621 HD13 LEU 80 HD13 LEU 80 4.465 -0.393 -2.600 622 HD21 LEU 80 HD21 LEU 80 1.372 1.679 -1.754 623 HD22 LEU 80 HD22 LEU 80 2.930 1.774 -2.583 624 HD23 LEU 80 HD23 LEU 80 2.869 1.656 -0.823 625 H ALA 81 HN ALA 81 -0.919 -1.794 -2.794 626 HA ALA 81 HA ALA 81 -1.173 -2.585 -0.102 627 HB1 ALA 81 HB1 ALA 81 -3.596 -2.443 -0.469 628 HB2 ALA 81 HB2 ALA 81 -3.341 -2.419 -2.218 629 HB3 ALA 81 HB3 ALA 81 -2.764 -1.081 -1.222 630 H ALA 82 HN ALA 82 -1.468 -4.437 -3.097 631 HA ALA 82 HA ALA 82 -2.503 -6.837 -1.966 632 HB1 ALA 82 HB1 ALA 82 -1.815 -7.892 -4.072 633 HB2 ALA 82 HB2 ALA 82 -0.863 -6.462 -4.490 634 HB3 ALA 82 HB3 ALA 82 -2.622 -6.349 -4.374 635 H ARG 83 HN ARG 83 0.853 -5.724 -2.627 636 HA ARG 83 HA ARG 83 2.276 -8.020 -1.836 637 HB2 ARG 83 HB2 ARG 83 3.225 -5.167 -1.324 638 HB3 ARG 83 HB1 ARG 83 4.225 -6.600 -1.505 639 HG2 ARG 83 HG2 ARG 83 2.722 -5.104 -3.675 640 HG3 ARG 83 HG1 ARG 83 4.463 -5.197 -3.445 641 HD2 ARG 83 HD2 ARG 83 4.018 -6.641 -5.259 642 HD3 ARG 83 HD1 ARG 83 4.224 -7.724 -3.884 643 HE ARG 83 HE ARG 83 1.570 -6.901 -4.913 644 HH11 ARG 83 HH11 ARG 83 3.723 -9.454 -3.818 645 HH12 ARG 83 HH12 ARG 83 2.510 -10.691 -3.952 646 HH21 ARG 83 HH21 ARG 83 0.020 -8.531 -5.112 647 HH22 ARG 83 HH22 ARG 83 0.425 -10.162 -4.690 648 H ILE 84 HN ILE 84 1.309 -5.176 -0.052 649 HA ILE 84 HA ILE 84 2.315 -5.696 2.513 650 HB ILE 84 HB ILE 84 -0.030 -4.034 1.501 651 HG12 ILE 84 HG12 ILE 84 2.708 -3.078 2.435 652 HG13 ILE 84 HG11 ILE 84 2.356 -3.470 0.755 653 HG21 ILE 84 HG21 ILE 84 -0.021 -2.803 3.637 654 HG22 ILE 84 HG22 ILE 84 1.145 -3.950 4.291 655 HG23 ILE 84 HG23 ILE 84 -0.475 -4.495 3.855 656 HD11 ILE 84 HD11 ILE 84 0.718 -1.697 0.663 657 HD12 ILE 84 HD12 ILE 84 2.279 -1.084 1.202 658 HD13 ILE 84 HD13 ILE 84 0.982 -1.329 2.370 659 H ASP 85 HN ASP 85 -0.867 -6.352 1.059 660 HA ASP 85 HA ASP 85 -2.123 -7.453 3.332 661 HB2 ASP 85 HB2 ASP 85 -3.314 -6.599 1.291 662 HB3 ASP 85 HB1 ASP 85 -2.783 -8.027 0.412 663 H GLU 86 HN GLU 86 -0.238 -8.986 0.740 664 HA GLU 86 HA GLU 86 -0.667 -11.692 1.529 665 HB2 GLU 86 HB2 GLU 86 1.531 -10.395 -0.113 666 HB3 GLU 86 HB1 GLU 86 1.477 -12.129 0.185 667 HG2 GLU 86 HG2 GLU 86 -0.753 -12.219 -0.912 668 HG3 GLU 86 HG1 GLU 86 -0.631 -10.499 -1.262 669 H LEU 87 HN LEU 87 1.667 -9.239 2.508 670 HA LEU 87 HA LEU 87 3.219 -10.948 4.216 671 HB2 LEU 87 HB2 LEU 87 2.968 -7.919 4.140 672 HB3 LEU 87 HB1 LEU 87 4.186 -8.803 5.057 673 HG LEU 87 HG LEU 87 3.923 -8.955 2.021 674 HD11 LEU 87 HD11 LEU 87 5.863 -7.485 1.872 675 HD12 LEU 87 HD12 LEU 87 5.853 -7.271 3.624 676 HD13 LEU 87 HD13 LEU 87 4.502 -6.679 2.652 677 HD21 LEU 87 HD21 LEU 87 5.008 -10.929 3.005 678 HD22 LEU 87 HD22 LEU 87 6.164 -9.896 3.848 679 HD23 LEU 87 HD23 LEU 87 6.168 -9.971 2.084 680 H VAL 88 HN VAL 88 0.347 -8.936 4.718 681 HA VAL 88 HA VAL 88 0.143 -9.263 7.560 682 HB VAL 88 HB VAL 88 -1.993 -8.601 5.465 683 HG11 VAL 88 HG11 VAL 88 -3.423 -7.828 7.360 684 HG12 VAL 88 HG12 VAL 88 -2.247 -8.495 8.496 685 HG13 VAL 88 HG13 VAL 88 -3.129 -9.566 7.410 686 HG21 VAL 88 HG21 VAL 88 -0.204 -6.892 5.719 687 HG22 VAL 88 HG22 VAL 88 -0.541 -6.804 7.448 688 HG23 VAL 88 HG23 VAL 88 -1.762 -6.282 6.286 689 H ALA 89 HN ALA 89 -0.998 -11.113 4.784 690 HA ALA 89 HA ALA 89 -2.382 -13.144 6.227 691 HB1 ALA 89 HB1 ALA 89 -2.766 -12.757 3.840 692 HB2 ALA 89 HB2 ALA 89 -2.270 -14.426 4.130 693 HB3 ALA 89 HB3 ALA 89 -1.114 -13.263 3.468 694 H ALA 90 HN ALA 90 0.980 -12.740 5.158 695 HA ALA 90 HA ALA 90 1.998 -15.281 5.763 696 HB1 ALA 90 HB1 ALA 90 3.439 -12.610 5.737 697 HB2 ALA 90 HB2 ALA 90 3.154 -13.649 4.340 698 HB3 ALA 90 HB3 ALA 90 4.206 -14.199 5.646 699 H LYS 91 HN LYS 91 1.651 -12.368 7.774 700 HA LYS 91 HA LYS 91 3.045 -13.531 10.048 701 HB2 LYS 91 HB2 LYS 91 2.592 -11.424 11.176 702 HB3 LYS 91 HB1 LYS 91 3.140 -11.091 9.533 703 HG2 LYS 91 HG2 LYS 91 0.881 -10.610 8.810 704 HG3 LYS 91 HG1 LYS 91 0.223 -11.076 10.376 705 HD2 LYS 91 HD2 LYS 91 2.093 -8.725 9.881 706 HD3 LYS 91 HD1 LYS 91 0.340 -8.611 10.036 707 HE2 LYS 91 HE2 LYS 91 0.519 -9.494 12.365 708 HE3 LYS 91 HE1 LYS 91 2.275 -9.524 12.194 709 HZ1 LYS 91 HZ1 LYS 91 1.291 -7.550 13.323 710 HZ2 LYS 91 HZ2 LYS 91 0.685 -7.069 11.822 711 HZ3 LYS 91 HZ3 LYS 91 2.351 -7.217 12.058 712 H GLY 92 HN GLY 92 -0.214 -13.355 8.834 713 HA2 GLY 92 HA2 GLY 92 -1.618 -13.799 11.313 714 HA3 GLY 92 HA1 GLY 92 -2.270 -13.950 9.688 715 H ALA 93 HN ALA 93 -0.494 -15.812 8.636 716 HA ALA 93 HA ALA 93 -1.321 -18.320 9.837 717 HB1 ALA 93 HB1 ALA 93 0.509 -17.740 7.480 718 HB2 ALA 93 HB2 ALA 93 -1.216 -18.094 7.395 719 HB3 ALA 93 HB3 ALA 93 -0.087 -19.341 7.938 720 H LEU 94 HN LEU 94 -0.287 -19.000 11.630 721 HA LEU 94 HA LEU 94 1.217 -19.409 13.243 722 HB2 LEU 94 HB2 LEU 94 2.278 -20.795 11.496 723 HB3 LEU 94 HB1 LEU 94 3.213 -19.411 10.960 724 HG LEU 94 HG LEU 94 4.373 -19.379 13.210 725 HD11 LEU 94 HD11 LEU 94 2.689 -20.472 14.581 726 HD12 LEU 94 HD12 LEU 94 4.204 -21.370 14.665 727 HD13 LEU 94 HD13 LEU 94 2.876 -21.976 13.672 728 HD21 LEU 94 HD21 LEU 94 5.822 -21.320 12.768 729 HD22 LEU 94 HD22 LEU 94 5.449 -20.437 11.290 730 HD23 LEU 94 HD23 LEU 94 4.627 -21.964 11.635 731 H GLU 95 HN GLU 95 3.499 -17.553 11.312 732 HA GLU 95 HA GLU 95 3.163 -14.970 12.195 733 HB2 GLU 95 HB2 GLU 95 3.796 -15.792 14.499 734 HB3 GLU 95 HB1 GLU 95 5.322 -16.394 13.850 735 HG2 GLU 95 HG2 GLU 95 5.804 -13.979 13.122 736 HG3 GLU 95 HG1 GLU 95 4.412 -13.507 14.095 737 H HIS 96 HN HIS 96 5.713 -17.396 11.856 738 HA HIS 96 HA HIS 96 7.328 -17.835 10.378 739 HB2 HIS 96 HB2 HIS 96 6.035 -15.675 8.685 740 HB3 HIS 96 HB1 HIS 96 7.454 -16.576 8.163 741 HD1 HIS 96 HD1 HIS 96 3.769 -16.898 8.677 742 HD2 HIS 96 HD2 HIS 96 6.949 -19.232 7.378 743 HE1 HIS 96 HE1 HIS 96 2.729 -18.889 7.567 744 HE2 HIS 96 HE2 HIS 96 4.665 -20.361 6.921 745 H HIS 97 HN HIS 97 9.405 -17.196 9.749 746 HA HIS 97 HA HIS 97 10.662 -15.120 11.277 747 HB2 HIS 97 HB2 HIS 97 11.829 -16.668 8.912 748 HB3 HIS 97 HB1 HIS 97 12.737 -15.815 10.158 749 HD1 HIS 97 HD1 HIS 97 11.667 -19.108 9.261 750 HD2 HIS 97 HD2 HIS 97 12.193 -17.074 12.848 751 HE1 HIS 97 HE1 HIS 97 11.836 -20.887 11.022 752 HE2 HIS 97 HE2 HIS 97 11.980 -19.627 13.193 753 H HIS 98 HN HIS 98 10.757 -13.003 10.739 754 HA HIS 98 HA HIS 98 9.522 -12.153 8.231 755 HB2 HIS 98 HB2 HIS 98 10.305 -10.516 10.680 756 HB3 HIS 98 HB1 HIS 98 9.345 -9.933 9.320 757 HD1 HIS 98 HD1 HIS 98 8.783 -10.848 12.600 758 HD2 HIS 98 HD2 HIS 98 7.022 -12.078 9.044 759 HE1 HIS 98 HE1 HIS 98 6.567 -11.813 13.252 760 HE2 HIS 98 HE2 HIS 98 5.622 -12.736 11.112 761 H HIS 99 HN HIS 99 11.632 -13.133 7.363 762 HA HIS 99 HA HIS 99 12.847 -11.117 5.870 763 HB2 HIS 99 HB2 HIS 99 15.193 -11.231 6.535 764 HB3 HIS 99 HB1 HIS 99 14.248 -10.773 7.944 765 HD1 HIS 99 HD1 HIS 99 14.040 -12.555 9.867 766 HD2 HIS 99 HD2 HIS 99 16.619 -13.611 6.781 767 HE1 HIS 99 HE1 HIS 99 15.421 -14.456 10.747 768 HE2 HIS 99 HE2 HIS 99 17.099 -14.938 8.947 769 H HIS 100 HN HIS 100 13.982 -12.010 4.098 770 HA HIS 100 HA HIS 100 14.396 -14.941 4.042 771 HB2 HIS 100 HB2 HIS 100 12.370 -14.285 2.666 772 HB3 HIS 100 HB1 HIS 100 13.406 -13.279 1.668 773 HD1 HIS 100 HD1 HIS 100 12.082 -16.655 1.917 774 HD2 HIS 100 HD2 HIS 100 15.430 -14.882 0.206 775 HE1 HIS 100 HE1 HIS 100 12.943 -18.313 0.241 776 HE2 HIS 100 HE2 HIS 100 15.021 -17.269 -0.703 777 H HIS 101 HN HIS 101 16.452 -14.116 4.878 778 HA HIS 101 HA HIS 101 18.506 -14.122 2.959 779 HB2 HIS 101 HB2 HIS 101 17.908 -11.759 2.540 780 HB3 HIS 101 HB1 HIS 101 18.022 -11.395 4.257 781 HD1 HIS 101 HD1 HIS 101 20.270 -12.576 1.430 782 HD2 HIS 101 HD2 HIS 101 20.490 -10.526 5.038 783 HE1 HIS 101 HE1 HIS 101 22.637 -11.762 1.597 784 HE2 HIS 101 HE2 HIS 101 22.781 -10.637 3.845 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -15.180 2.833 4.065 2 H2 MET 1 HT2 MET 1 -14.712 1.271 3.656 3 H3 MET 1 HT3 MET 1 -15.437 2.252 2.495 4 HA MET 1 HA MET 1 -13.125 2.154 2.064 5 HB2 MET 1 HB2 MET 1 -13.891 4.823 3.329 6 HB3 MET 1 HB1 MET 1 -12.562 4.588 2.197 7 HG2 MET 1 HG2 MET 1 -14.437 5.554 1.026 8 HG3 MET 1 HG1 MET 1 -14.220 3.898 0.463 9 HE1 MET 1 HE1 MET 1 -16.418 6.354 2.613 10 HE2 MET 1 HE2 MET 1 -15.959 5.172 3.841 11 HE3 MET 1 HE3 MET 1 -17.632 5.268 3.284 12 H THR 2 HN THR 2 -12.459 0.549 3.714 13 HA THR 2 HA THR 2 -10.664 1.687 5.772 14 HB THR 2 HB THR 2 -11.370 -0.079 7.411 15 HG1 THR 2 HG1 THR 2 -13.709 -0.830 6.620 16 HG21 THR 2 HG21 THR 2 -12.405 2.157 7.642 17 HG22 THR 2 HG22 THR 2 -13.530 0.882 8.112 18 HG23 THR 2 HG23 THR 2 -13.705 1.676 6.545 19 H SER 3 HN SER 3 -10.837 -0.163 3.066 20 HA SER 3 HA SER 3 -9.630 -2.637 3.802 21 HB2 SER 3 HB2 SER 3 -9.775 -1.267 1.081 22 HB3 SER 3 HB1 SER 3 -9.317 -2.954 1.348 23 HG SER 3 HG SER 3 -11.425 -3.209 2.349 24 H THR 4 HN THR 4 -7.511 -3.329 2.565 25 HA THR 4 HA THR 4 -5.328 -2.272 3.874 26 HB THR 4 HB THR 4 -5.232 -3.724 1.182 27 HG1 THR 4 HG1 THR 4 -5.284 -5.598 2.391 28 HG21 THR 4 HG21 THR 4 -3.033 -2.782 1.846 29 HG22 THR 4 HG22 THR 4 -3.028 -4.541 1.954 30 HG23 THR 4 HG23 THR 4 -3.166 -3.573 3.422 31 H PHE 5 HN PHE 5 -6.333 -1.601 0.486 32 HA PHE 5 HA PHE 5 -4.375 0.217 -0.279 33 HB2 PHE 5 HB2 PHE 5 -5.839 -0.484 -2.024 34 HB3 PHE 5 HB1 PHE 5 -7.281 -0.083 -1.101 35 HD1 PHE 5 HD1 PHE 5 -4.295 1.583 -2.684 36 HD2 PHE 5 HD2 PHE 5 -8.419 1.959 -1.574 37 HE1 PHE 5 HE1 PHE 5 -4.376 3.822 -3.685 38 HE2 PHE 5 HE2 PHE 5 -8.477 4.195 -2.601 39 HZ PHE 5 HZ PHE 5 -6.455 5.126 -3.647 40 H ASP 6 HN ASP 6 -7.458 0.872 1.400 41 HA ASP 6 HA ASP 6 -7.367 3.689 1.314 42 HB2 ASP 6 HB2 ASP 6 -8.775 1.898 3.345 43 HB3 ASP 6 HB1 ASP 6 -9.103 3.615 3.103 44 H ARG 7 HN ARG 7 -6.293 1.366 3.769 45 HA ARG 7 HA ARG 7 -5.410 3.182 5.736 46 HB2 ARG 7 HB2 ARG 7 -4.466 0.341 5.151 47 HB3 ARG 7 HB1 ARG 7 -4.117 1.230 6.631 48 HG2 ARG 7 HG2 ARG 7 -6.911 0.510 5.691 49 HG3 ARG 7 HG1 ARG 7 -5.971 -0.446 6.843 50 HD2 ARG 7 HD2 ARG 7 -5.981 1.385 8.444 51 HD3 ARG 7 HD1 ARG 7 -6.724 2.469 7.265 52 HE ARG 7 HE ARG 7 -8.762 1.590 7.744 53 HH11 ARG 7 HH11 ARG 7 -6.398 -0.694 9.031 54 HH12 ARG 7 HH12 ARG 7 -7.588 -1.598 9.910 55 HH21 ARG 7 HH21 ARG 7 -10.290 0.397 8.928 56 HH22 ARG 7 HH22 ARG 7 -9.785 -0.980 9.854 57 H VAL 8 HN VAL 8 -3.732 1.690 2.952 58 HA VAL 8 HA VAL 8 -1.107 2.661 3.553 59 HB VAL 8 HB VAL 8 -2.305 1.655 0.925 60 HG11 VAL 8 HG11 VAL 8 0.033 1.271 0.175 61 HG12 VAL 8 HG12 VAL 8 0.626 2.060 1.641 62 HG13 VAL 8 HG13 VAL 8 -0.292 2.985 0.452 63 HG21 VAL 8 HG21 VAL 8 -1.236 -0.480 1.464 64 HG22 VAL 8 HG22 VAL 8 -2.351 -0.014 2.750 65 HG23 VAL 8 HG23 VAL 8 -0.613 0.188 2.976 66 H ALA 9 HN ALA 9 -3.787 3.789 1.584 67 HA ALA 9 HA ALA 9 -2.530 5.947 0.269 68 HB1 ALA 9 HB1 ALA 9 -5.482 5.500 0.853 69 HB2 ALA 9 HB2 ALA 9 -4.615 4.937 -0.575 70 HB3 ALA 9 HB3 ALA 9 -4.830 6.669 -0.302 71 H THR 10 HN THR 10 -4.357 5.639 3.295 72 HA THR 10 HA THR 10 -4.284 8.314 4.157 73 HB THR 10 HB THR 10 -4.271 5.790 5.883 74 HG1 THR 10 HG1 THR 10 -6.197 5.586 5.051 75 HG21 THR 10 HG21 THR 10 -5.167 8.614 6.621 76 HG22 THR 10 HG22 THR 10 -3.720 7.809 7.232 77 HG23 THR 10 HG23 THR 10 -5.318 7.183 7.639 78 H ILE 11 HN ILE 11 -1.999 5.619 4.706 79 HA ILE 11 HA ILE 11 -0.092 6.900 6.271 80 HB ILE 11 HB ILE 11 0.155 4.637 4.251 81 HG12 ILE 11 HG12 ILE 11 0.243 4.551 7.302 82 HG13 ILE 11 HG11 ILE 11 -1.223 4.310 6.366 83 HG21 ILE 11 HG21 ILE 11 2.380 5.606 4.367 84 HG22 ILE 11 HG22 ILE 11 2.372 4.073 5.235 85 HG23 ILE 11 HG23 ILE 11 2.338 5.592 6.132 86 HD11 ILE 11 HD11 ILE 11 -0.316 2.203 7.094 87 HD12 ILE 11 HD12 ILE 11 1.223 2.556 6.316 88 HD13 ILE 11 HD13 ILE 11 -0.224 2.313 5.334 89 H ILE 12 HN ILE 12 -0.168 6.631 2.687 90 HA ILE 12 HA ILE 12 2.126 8.126 2.122 91 HB ILE 12 HB ILE 12 -0.389 7.782 0.420 92 HG12 ILE 12 HG12 ILE 12 2.249 6.249 0.443 93 HG13 ILE 12 HG11 ILE 12 0.680 5.631 0.939 94 HG21 ILE 12 HG21 ILE 12 0.889 9.727 -0.388 95 HG22 ILE 12 HG22 ILE 12 0.999 8.397 -1.537 96 HG23 ILE 12 HG23 ILE 12 2.358 8.750 -0.469 97 HD11 ILE 12 HD11 ILE 12 1.497 6.386 -1.868 98 HD12 ILE 12 HD12 ILE 12 -0.102 5.807 -1.389 99 HD13 ILE 12 HD13 ILE 12 1.304 4.759 -1.219 100 H ALA 13 HN ALA 13 -1.292 9.136 2.234 101 HA ALA 13 HA ALA 13 -1.133 11.824 1.759 102 HB1 ALA 13 HB1 ALA 13 -3.244 10.576 1.985 103 HB2 ALA 13 HB2 ALA 13 -3.257 12.037 2.976 104 HB3 ALA 13 HB3 ALA 13 -2.997 10.462 3.730 105 H GLU 14 HN GLU 14 -0.870 10.273 4.964 106 HA GLU 14 HA GLU 14 -0.440 12.635 6.435 107 HB2 GLU 14 HB2 GLU 14 0.162 9.734 7.104 108 HB3 GLU 14 HB1 GLU 14 0.286 11.058 8.263 109 HG2 GLU 14 HG2 GLU 14 -2.237 10.152 6.838 110 HG3 GLU 14 HG1 GLU 14 -1.815 9.819 8.517 111 H THR 15 HN THR 15 1.820 10.316 4.954 112 HA THR 15 HA THR 15 4.146 11.229 6.343 113 HB THR 15 HB THR 15 4.005 9.625 3.741 114 HG1 THR 15 HG1 THR 15 3.389 8.068 5.021 115 HG21 THR 15 HG21 THR 15 6.266 10.602 4.119 116 HG22 THR 15 HG22 THR 15 6.283 8.849 4.326 117 HG23 THR 15 HG23 THR 15 6.285 9.901 5.742 118 H CYS 16 HN CYS 16 2.809 11.839 3.071 119 HA CYS 16 HA CYS 16 5.028 13.549 2.323 120 HB2 CYS 16 HB2 CYS 16 2.598 12.659 0.727 121 HB3 CYS 16 HB1 CYS 16 4.085 13.355 0.083 122 HG CYS 16 HG CYS 16 5.639 11.123 0.980 123 H ASP 17 HN ASP 17 2.253 14.191 4.043 124 HA ASP 17 HA ASP 17 0.627 15.736 4.196 125 HB2 ASP 17 HB2 ASP 17 2.636 17.003 4.924 126 HB3 ASP 17 HB1 ASP 17 2.897 17.557 3.272 127 H ILE 18 HN ILE 18 -0.452 14.636 2.420 128 HA ILE 18 HA ILE 18 -1.254 16.452 0.268 129 HB ILE 18 HB ILE 18 -1.271 14.479 -1.404 130 HG12 ILE 18 HG12 ILE 18 0.657 13.269 0.635 131 HG13 ILE 18 HG11 ILE 18 -0.906 12.617 0.166 132 HG21 ILE 18 HG21 ILE 18 1.467 15.514 -0.577 133 HG22 ILE 18 HG22 ILE 18 0.323 16.342 -1.635 134 HG23 ILE 18 HG23 ILE 18 1.043 14.817 -2.146 135 HD11 ILE 18 HD11 ILE 18 1.536 12.826 -1.586 136 HD12 ILE 18 HD12 ILE 18 -0.035 12.209 -2.105 137 HD13 ILE 18 HD13 ILE 18 0.879 11.368 -0.853 138 HA PRO 19 HA PRO 19 -5.308 14.837 1.416 139 HB2 PRO 19 HB2 PRO 19 -6.235 14.929 -1.417 140 HB3 PRO 19 HB1 PRO 19 -6.796 15.862 -0.026 141 HG2 PRO 19 HG2 PRO 19 -5.358 17.016 -1.987 142 HG3 PRO 19 HG1 PRO 19 -5.163 17.500 -0.288 143 HD2 PRO 19 HD2 PRO 19 -3.423 15.654 -1.937 144 HD3 PRO 19 HD1 PRO 19 -2.947 16.978 -0.844 145 H ARG 20 HN ARG 20 -6.240 12.800 1.662 146 HA ARG 20 HA ARG 20 -4.872 10.528 0.723 147 HB2 ARG 20 HB2 ARG 20 -6.256 10.857 2.885 148 HB3 ARG 20 HB1 ARG 20 -7.679 10.512 1.917 149 HG2 ARG 20 HG2 ARG 20 -5.372 8.564 2.016 150 HG3 ARG 20 HG1 ARG 20 -6.544 8.611 3.324 151 HD2 ARG 20 HD2 ARG 20 -7.363 8.181 0.433 152 HD3 ARG 20 HD1 ARG 20 -6.890 6.848 1.495 153 HE ARG 20 HE ARG 20 -8.956 8.514 2.623 154 HH11 ARG 20 HH11 ARG 20 -8.443 5.870 0.361 155 HH12 ARG 20 HH12 ARG 20 -9.991 5.152 0.669 156 HH21 ARG 20 HH21 ARG 20 -10.999 7.572 2.999 157 HH22 ARG 20 HH22 ARG 20 -11.450 6.133 2.139 158 H GLU 21 HN GLU 21 -7.538 12.310 -0.641 159 HA GLU 21 HA GLU 21 -8.700 10.121 -2.134 160 HB2 GLU 21 HB2 GLU 21 -10.199 11.834 -3.085 161 HB3 GLU 21 HB1 GLU 21 -10.142 11.935 -1.330 162 HG2 GLU 21 HG2 GLU 21 -8.593 13.867 -1.490 163 HG3 GLU 21 HG1 GLU 21 -8.683 13.782 -3.253 164 H THR 22 HN THR 22 -6.112 12.400 -2.628 165 HA THR 22 HA THR 22 -6.179 12.244 -5.539 166 HB THR 22 HB THR 22 -4.189 13.697 -5.506 167 HG1 THR 22 HG1 THR 22 -4.230 13.902 -2.709 168 HG21 THR 22 HG21 THR 22 -5.136 15.672 -4.363 169 HG22 THR 22 HG22 THR 22 -6.257 14.636 -3.480 170 HG23 THR 22 HG23 THR 22 -6.400 14.790 -5.232 171 H ILE 23 HN ILE 23 -5.207 10.130 -3.154 172 HA ILE 23 HA ILE 23 -3.220 8.799 -4.886 173 HB ILE 23 HB ILE 23 -4.130 8.146 -2.027 174 HG12 ILE 23 HG12 ILE 23 -1.617 8.582 -1.505 175 HG13 ILE 23 HG11 ILE 23 -1.526 9.349 -3.083 176 HG21 ILE 23 HG21 ILE 23 -2.375 6.387 -2.034 177 HG22 ILE 23 HG22 ILE 23 -2.091 6.697 -3.751 178 HG23 ILE 23 HG23 ILE 23 -3.654 6.076 -3.210 179 HD11 ILE 23 HD11 ILE 23 -1.759 10.955 -1.273 180 HD12 ILE 23 HD12 ILE 23 -3.288 10.220 -0.795 181 HD13 ILE 23 HD13 ILE 23 -3.142 11.022 -2.361 182 H THR 24 HN THR 24 -4.186 7.548 -6.405 183 HA THR 24 HA THR 24 -6.864 6.369 -5.944 184 HB THR 24 HB THR 24 -6.993 6.181 -8.411 185 HG1 THR 24 HG1 THR 24 -5.263 7.095 -9.671 186 HG21 THR 24 HG21 THR 24 -7.711 8.329 -7.409 187 HG22 THR 24 HG22 THR 24 -7.016 8.574 -9.011 188 HG23 THR 24 HG23 THR 24 -6.067 8.954 -7.574 189 HA PRO 25 HA PRO 25 -5.213 2.192 -5.789 190 HB2 PRO 25 HB2 PRO 25 -6.844 0.717 -7.480 191 HB3 PRO 25 HB1 PRO 25 -7.324 1.240 -5.857 192 HG2 PRO 25 HG2 PRO 25 -7.911 2.544 -8.522 193 HG3 PRO 25 HG1 PRO 25 -9.024 2.212 -7.176 194 HD2 PRO 25 HD2 PRO 25 -8.010 4.664 -7.515 195 HD3 PRO 25 HD1 PRO 25 -8.185 3.996 -5.874 196 H GLU 26 HN GLU 26 -5.541 3.695 -8.968 197 HA GLU 26 HA GLU 26 -3.688 1.775 -10.222 198 HB2 GLU 26 HB2 GLU 26 -5.352 4.008 -11.468 199 HB3 GLU 26 HB1 GLU 26 -4.365 2.849 -12.357 200 HG2 GLU 26 HG2 GLU 26 -5.815 1.010 -11.569 201 HG3 GLU 26 HG1 GLU 26 -6.799 2.165 -10.672 202 H SER 27 HN SER 27 -3.325 4.426 -8.342 203 HA SER 27 HA SER 27 -1.684 6.119 -10.008 204 HB2 SER 27 HB2 SER 27 -1.245 7.444 -7.996 205 HB3 SER 27 HB1 SER 27 -2.960 7.052 -8.063 206 HG SER 27 HG SER 27 -2.068 5.136 -6.687 207 H HIS 28 HN HIS 28 0.410 5.922 -10.403 208 HA HIS 28 HA HIS 28 2.047 3.858 -9.193 209 HB2 HIS 28 HB2 HIS 28 2.073 4.555 -11.680 210 HB3 HIS 28 HB1 HIS 28 2.956 5.994 -11.167 211 HD2 HIS 28 HD2 HIS 28 3.573 2.440 -12.180 212 HE1 HIS 28 HE1 HIS 28 7.034 3.648 -10.087 213 HE2 HIS 28 HE2 HIS 28 6.097 2.057 -11.802 214 H ALA 29 HN ALA 29 2.995 4.307 -7.223 215 HA ALA 29 HA ALA 29 3.244 6.573 -5.801 216 HB1 ALA 29 HB1 ALA 29 3.756 4.307 -4.968 217 HB2 ALA 29 HB2 ALA 29 5.027 5.451 -4.532 218 HB3 ALA 29 HB3 ALA 29 5.277 4.316 -5.862 219 H ILE 30 HN ILE 30 5.493 5.640 -8.424 220 HA ILE 30 HA ILE 30 7.397 7.769 -7.651 221 HB ILE 30 HB ILE 30 7.708 5.505 -9.678 222 HG12 ILE 30 HG12 ILE 30 8.921 5.814 -6.883 223 HG13 ILE 30 HG11 ILE 30 7.635 4.693 -7.320 224 HG21 ILE 30 HG21 ILE 30 9.076 7.432 -10.344 225 HG22 ILE 30 HG22 ILE 30 10.111 6.127 -9.771 226 HG23 ILE 30 HG23 ILE 30 9.790 7.517 -8.731 227 HD11 ILE 30 HD11 ILE 30 9.754 3.543 -7.125 228 HD12 ILE 30 HD12 ILE 30 10.487 4.617 -8.316 229 HD13 ILE 30 HD13 ILE 30 9.207 3.501 -8.804 230 H ASP 31 HN ASP 31 5.744 6.515 -10.580 231 HA ASP 31 HA ASP 31 6.583 8.748 -12.220 232 HB2 ASP 31 HB2 ASP 31 4.885 6.287 -12.789 233 HB3 ASP 31 HB1 ASP 31 5.226 7.510 -14.012 234 H ASP 32 HN ASP 32 3.724 8.024 -10.370 235 HA ASP 32 HA ASP 32 2.155 10.095 -11.818 236 HB2 ASP 32 HB2 ASP 32 1.099 7.864 -11.781 237 HB3 ASP 32 HB1 ASP 32 1.182 7.822 -10.032 238 H LEU 33 HN LEU 33 2.427 8.849 -8.426 239 HA LEU 33 HA LEU 33 1.530 11.257 -7.222 240 HB2 LEU 33 HB2 LEU 33 3.009 8.908 -5.977 241 HB3 LEU 33 HB1 LEU 33 2.175 10.170 -5.083 242 HG LEU 33 HG LEU 33 0.860 8.104 -6.902 243 HD11 LEU 33 HD11 LEU 33 0.743 8.368 -3.878 244 HD12 LEU 33 HD12 LEU 33 1.632 7.138 -4.783 245 HD13 LEU 33 HD13 LEU 33 -0.127 7.184 -4.862 246 HD21 LEU 33 HD21 LEU 33 -0.386 10.191 -7.031 247 HD22 LEU 33 HD22 LEU 33 -0.435 10.318 -5.270 248 HD23 LEU 33 HD23 LEU 33 -1.300 9.014 -6.092 249 H GLY 34 HN GLY 34 4.622 10.238 -8.357 250 HA2 GLY 34 HA2 GLY 34 6.667 11.271 -8.468 251 HA3 GLY 34 HA1 GLY 34 5.853 12.740 -7.967 252 H ILE 35 HN ILE 35 6.127 9.750 -6.103 253 HA ILE 35 HA ILE 35 7.292 11.136 -3.824 254 HB ILE 35 HB ILE 35 6.592 8.182 -4.169 255 HG12 ILE 35 HG12 ILE 35 4.919 10.292 -2.722 256 HG13 ILE 35 HG11 ILE 35 4.605 9.801 -4.382 257 HG21 ILE 35 HG21 ILE 35 6.681 8.065 -1.696 258 HG22 ILE 35 HG22 ILE 35 7.164 9.760 -1.629 259 HG23 ILE 35 HG23 ILE 35 8.237 8.567 -2.363 260 HD11 ILE 35 HD11 ILE 35 4.497 7.994 -1.967 261 HD12 ILE 35 HD12 ILE 35 4.146 7.522 -3.630 262 HD13 ILE 35 HD13 ILE 35 3.115 8.692 -2.807 263 H ASP 36 HN ASP 36 9.455 11.306 -3.583 264 HA ASP 36 HA ASP 36 11.453 10.075 -5.128 265 HB2 ASP 36 HB2 ASP 36 11.654 11.243 -2.311 266 HB3 ASP 36 HB1 ASP 36 13.041 10.823 -3.310 267 H SER 37 HN SER 37 12.906 8.359 -4.660 268 HA SER 37 HA SER 37 11.819 6.018 -3.543 269 HB2 SER 37 HB2 SER 37 14.755 6.648 -4.096 270 HB3 SER 37 HB1 SER 37 14.054 5.036 -3.925 271 HG SER 37 HG SER 37 12.620 6.245 -5.756 272 H LEU 38 HN LEU 38 13.978 8.482 -2.208 273 HA LEU 38 HA LEU 38 14.645 7.069 0.199 274 HB2 LEU 38 HB2 LEU 38 15.600 9.303 0.926 275 HB3 LEU 38 HB1 LEU 38 16.261 8.607 -0.540 276 HG LEU 38 HG LEU 38 14.662 10.239 -1.812 277 HD11 LEU 38 HD11 LEU 38 14.676 11.699 0.842 278 HD12 LEU 38 HD12 LEU 38 13.267 10.995 0.046 279 HD13 LEU 38 HD13 LEU 38 14.112 12.346 -0.702 280 HD21 LEU 38 HD21 LEU 38 16.327 12.030 -1.774 281 HD22 LEU 38 HD22 LEU 38 17.098 10.446 -1.815 282 HD23 LEU 38 HD23 LEU 38 17.038 11.355 -0.304 283 H ASP 39 HN ASP 39 12.101 9.254 -0.772 284 HA ASP 39 HA ASP 39 11.087 9.807 1.885 285 HB2 ASP 39 HB2 ASP 39 10.757 11.386 -0.062 286 HB3 ASP 39 HB1 ASP 39 9.733 10.180 -0.838 287 H PHE 40 HN PHE 40 10.453 7.525 -0.715 288 HA PHE 40 HA PHE 40 7.998 6.482 0.294 289 HB2 PHE 40 HB2 PHE 40 8.793 6.408 -2.144 290 HB3 PHE 40 HB1 PHE 40 9.880 5.106 -1.671 291 HD1 PHE 40 HD1 PHE 40 6.271 6.083 -1.729 292 HD2 PHE 40 HD2 PHE 40 9.064 2.842 -1.596 293 HE1 PHE 40 HE1 PHE 40 4.430 4.481 -1.983 294 HE2 PHE 40 HE2 PHE 40 7.204 1.247 -1.862 295 HZ PHE 40 HZ PHE 40 4.893 2.065 -2.052 296 H LEU 41 HN LEU 41 11.391 5.814 0.901 297 HA LEU 41 HA LEU 41 11.212 3.349 2.241 298 HB2 LEU 41 HB2 LEU 41 13.004 5.729 2.809 299 HB3 LEU 41 HB1 LEU 41 13.232 4.139 3.526 300 HG LEU 41 HG LEU 41 13.420 4.774 0.551 301 HD11 LEU 41 HD11 LEU 41 15.832 4.401 0.791 302 HD12 LEU 41 HD12 LEU 41 15.639 4.170 2.531 303 HD13 LEU 41 HD13 LEU 41 15.292 5.740 1.801 304 HD21 LEU 41 HD21 LEU 41 13.972 2.162 2.012 305 HD22 LEU 41 HD22 LEU 41 14.282 2.472 0.300 306 HD23 LEU 41 HD23 LEU 41 12.630 2.482 0.906 307 H ASP 42 HN ASP 42 10.524 6.644 3.358 308 HA ASP 42 HA ASP 42 9.995 5.968 6.109 309 HB2 ASP 42 HB2 ASP 42 9.094 8.433 4.551 310 HB3 ASP 42 HB1 ASP 42 9.008 8.244 6.305 311 H ILE 43 HN ILE 43 7.987 6.468 3.208 312 HA ILE 43 HA ILE 43 5.440 6.137 4.379 313 HB ILE 43 HB ILE 43 6.348 5.422 1.550 314 HG12 ILE 43 HG12 ILE 43 5.049 7.949 2.669 315 HG13 ILE 43 HG11 ILE 43 6.688 7.809 2.037 316 HG21 ILE 43 HG21 ILE 43 3.962 5.510 0.890 317 HG22 ILE 43 HG22 ILE 43 3.498 5.747 2.575 318 HG23 ILE 43 HG23 ILE 43 4.251 4.232 2.072 319 HD11 ILE 43 HD11 ILE 43 5.290 8.920 0.457 320 HD12 ILE 43 HD12 ILE 43 4.108 7.616 0.490 321 HD13 ILE 43 HD13 ILE 43 5.713 7.338 -0.198 322 H ALA 44 HN ALA 44 7.735 3.790 3.036 323 HA ALA 44 HA ALA 44 5.998 1.519 3.173 324 HB1 ALA 44 HB1 ALA 44 7.813 1.669 1.503 325 HB2 ALA 44 HB2 ALA 44 8.016 0.243 2.524 326 HB3 ALA 44 HB3 ALA 44 9.015 1.674 2.797 327 H PHE 45 HN PHE 45 8.583 2.876 5.181 328 HA PHE 45 HA PHE 45 8.658 0.926 7.218 329 HB2 PHE 45 HB2 PHE 45 10.362 2.728 6.910 330 HB3 PHE 45 HB1 PHE 45 9.190 3.925 7.449 331 HD1 PHE 45 HD1 PHE 45 10.620 0.648 8.659 332 HD2 PHE 45 HD2 PHE 45 9.417 4.622 9.682 333 HE1 PHE 45 HE1 PHE 45 11.369 0.290 10.971 334 HE2 PHE 45 HE2 PHE 45 10.167 4.250 11.993 335 HZ PHE 45 HZ PHE 45 11.146 2.088 12.637 336 H ALA 46 HN ALA 46 6.601 3.773 6.737 337 HA ALA 46 HA ALA 46 5.221 3.653 9.248 338 HB1 ALA 46 HB1 ALA 46 5.360 5.736 7.964 339 HB2 ALA 46 HB2 ALA 46 3.673 5.286 8.224 340 HB3 ALA 46 HB3 ALA 46 4.429 5.013 6.652 341 H ILE 47 HN ILE 47 4.740 2.181 6.094 342 HA ILE 47 HA ILE 47 2.188 0.985 6.534 343 HB ILE 47 HB ILE 47 4.488 0.236 4.678 344 HG12 ILE 47 HG12 ILE 47 1.810 1.552 4.004 345 HG13 ILE 47 HG11 ILE 47 3.308 2.439 4.238 346 HG21 ILE 47 HG21 ILE 47 1.686 -0.941 4.685 347 HG22 ILE 47 HG22 ILE 47 3.175 -1.787 5.108 348 HG23 ILE 47 HG23 ILE 47 2.922 -1.230 3.456 349 HD11 ILE 47 HD11 ILE 47 4.291 1.326 2.303 350 HD12 ILE 47 HD12 ILE 47 2.787 2.146 1.887 351 HD13 ILE 47 HD13 ILE 47 2.805 0.395 2.077 352 H ASP 48 HN ASP 48 5.535 -0.065 7.048 353 HA ASP 48 HA ASP 48 5.075 -2.656 8.037 354 HB2 ASP 48 HB2 ASP 48 7.352 -0.720 8.610 355 HB3 ASP 48 HB1 ASP 48 7.359 -2.412 9.100 356 H LYS 49 HN LYS 49 5.209 0.467 9.650 357 HA LYS 49 HA LYS 49 4.955 -0.439 12.331 358 HB2 LYS 49 HB2 LYS 49 4.299 2.243 11.047 359 HB3 LYS 49 HB1 LYS 49 4.293 1.967 12.786 360 HG2 LYS 49 HG2 LYS 49 6.673 1.538 12.797 361 HG3 LYS 49 HG1 LYS 49 6.738 1.565 11.036 362 HD2 LYS 49 HD2 LYS 49 7.614 3.667 11.954 363 HD3 LYS 49 HD1 LYS 49 6.134 3.972 11.040 364 HE2 LYS 49 HE2 LYS 49 6.139 5.265 13.120 365 HE3 LYS 49 HE1 LYS 49 4.855 4.060 13.161 366 HZ1 LYS 49 HZ1 LYS 49 6.267 2.663 14.529 367 HZ2 LYS 49 HZ2 LYS 49 6.046 4.174 15.250 368 HZ3 LYS 49 HZ3 LYS 49 7.506 3.808 14.481 369 H ALA 50 HN ALA 50 2.542 0.900 10.050 370 HA ALA 50 HA ALA 50 0.315 0.740 11.763 371 HB1 ALA 50 HB1 ALA 50 0.333 0.796 8.728 372 HB2 ALA 50 HB2 ALA 50 0.398 2.207 9.784 373 HB3 ALA 50 HB3 ALA 50 -1.041 1.186 9.770 374 H PHE 51 HN PHE 51 1.409 -1.515 9.206 375 HA PHE 51 HA PHE 51 -0.821 -3.355 9.697 376 HB2 PHE 51 HB2 PHE 51 1.361 -3.311 7.578 377 HB3 PHE 51 HB1 PHE 51 0.195 -4.625 7.728 378 HD1 PHE 51 HD2 PHE 51 0.635 -1.080 6.775 379 HD2 PHE 51 HD1 PHE 51 -2.152 -4.309 7.124 380 HE1 PHE 51 HE2 PHE 51 -0.972 0.140 5.365 381 HE2 PHE 51 HE1 PHE 51 -3.755 -3.072 5.724 382 HZ PHE 51 HZ PHE 51 -3.161 -0.857 4.840 383 H GLY 52 HN GLY 52 2.356 -2.966 10.855 384 HA2 GLY 52 HA2 GLY 52 3.600 -4.244 12.312 385 HA3 GLY 52 HA1 GLY 52 2.291 -5.415 12.343 386 H ILE 53 HN ILE 53 3.832 -4.428 9.363 387 HA ILE 53 HA ILE 53 4.809 -7.202 8.926 388 HB ILE 53 HB ILE 53 4.603 -6.730 6.489 389 HG12 ILE 53 HG12 ILE 53 3.157 -4.148 7.249 390 HG13 ILE 53 HG11 ILE 53 4.810 -4.195 6.646 391 HG21 ILE 53 HG21 ILE 53 2.142 -6.852 6.322 392 HG22 ILE 53 HG22 ILE 53 2.012 -6.334 8.004 393 HG23 ILE 53 HG23 ILE 53 2.772 -7.876 7.614 394 HD11 ILE 53 HD11 ILE 53 2.329 -5.068 5.185 395 HD12 ILE 53 HD12 ILE 53 3.975 -5.200 4.562 396 HD13 ILE 53 HD13 ILE 53 3.280 -3.614 4.889 397 H LYS 54 HN LYS 54 6.538 -7.094 7.025 398 HA LYS 54 HA LYS 54 8.234 -4.698 7.112 399 HB2 LYS 54 HB2 LYS 54 9.120 -6.652 8.623 400 HB3 LYS 54 HB1 LYS 54 9.472 -7.496 7.119 401 HG2 LYS 54 HG2 LYS 54 10.613 -4.780 7.916 402 HG3 LYS 54 HG1 LYS 54 11.442 -6.323 8.143 403 HD2 LYS 54 HD2 LYS 54 11.478 -6.682 5.705 404 HD3 LYS 54 HD1 LYS 54 10.587 -5.179 5.454 405 HE2 LYS 54 HE2 LYS 54 12.527 -3.941 6.479 406 HE3 LYS 54 HE1 LYS 54 13.421 -5.468 6.515 407 HZ1 LYS 54 HZ1 LYS 54 13.939 -4.184 4.554 408 HZ2 LYS 54 HZ2 LYS 54 12.315 -4.155 4.095 409 HZ3 LYS 54 HZ3 LYS 54 13.159 -5.616 4.121 410 H LEU 55 HN LEU 55 7.846 -3.993 5.068 411 HA LEU 55 HA LEU 55 7.338 -5.640 2.805 412 HB2 LEU 55 HB2 LEU 55 8.176 -2.721 2.963 413 HB3 LEU 55 HB1 LEU 55 7.734 -3.530 1.467 414 HG LEU 55 HG LEU 55 5.872 -3.077 3.838 415 HD11 LEU 55 HD11 LEU 55 4.703 -1.482 2.367 416 HD12 LEU 55 HD12 LEU 55 5.939 -1.706 1.125 417 HD13 LEU 55 HD13 LEU 55 6.363 -0.975 2.676 418 HD21 LEU 55 HD21 LEU 55 5.256 -4.231 1.092 419 HD22 LEU 55 HD22 LEU 55 4.105 -3.938 2.395 420 HD23 LEU 55 HD23 LEU 55 5.355 -5.152 2.596 421 HA PRO 56 HA PRO 56 11.731 -6.398 1.704 422 HB2 PRO 56 HB2 PRO 56 10.579 -7.656 -0.740 423 HB3 PRO 56 HB1 PRO 56 11.574 -8.387 0.530 424 HG2 PRO 56 HG2 PRO 56 8.955 -8.988 0.276 425 HG3 PRO 56 HG1 PRO 56 9.738 -8.886 1.865 426 HD2 PRO 56 HD2 PRO 56 8.040 -6.809 0.464 427 HD3 PRO 56 HD1 PRO 56 7.947 -7.396 2.141 428 H LEU 57 HN LEU 57 11.234 -3.867 1.446 429 HA LEU 57 HA LEU 57 10.436 -2.835 -1.075 430 HB2 LEU 57 HB2 LEU 57 10.433 -1.770 1.339 431 HB3 LEU 57 HB1 LEU 57 12.072 -1.289 0.966 432 HG LEU 57 HG LEU 57 10.348 0.521 0.642 433 HD11 LEU 57 HD11 LEU 57 11.143 1.390 -1.487 434 HD12 LEU 57 HD12 LEU 57 11.793 -0.195 -1.914 435 HD13 LEU 57 HD13 LEU 57 12.465 0.697 -0.550 436 HD21 LEU 57 HD21 LEU 57 8.493 -0.869 -0.141 437 HD22 LEU 57 HD22 LEU 57 9.343 -1.186 -1.655 438 HD23 LEU 57 HD23 LEU 57 8.815 0.452 -1.262 439 H GLU 58 HN GLU 58 13.577 -3.241 0.506 440 HA GLU 58 HA GLU 58 15.192 -2.160 -1.553 441 HB2 GLU 58 HB2 GLU 58 17.095 -3.217 -0.403 442 HB3 GLU 58 HB1 GLU 58 16.055 -2.386 0.742 443 HG2 GLU 58 HG2 GLU 58 15.830 -5.367 0.287 444 HG3 GLU 58 HG1 GLU 58 17.027 -4.698 1.391 445 H LYS 59 HN LYS 59 14.121 -5.466 -0.804 446 HA LYS 59 HA LYS 59 15.445 -6.931 -2.774 447 HB2 LYS 59 HB2 LYS 59 14.219 -7.939 -0.894 448 HB3 LYS 59 HB1 LYS 59 12.701 -7.302 -1.500 449 HG2 LYS 59 HG2 LYS 59 12.775 -9.644 -1.967 450 HG3 LYS 59 HG1 LYS 59 12.924 -8.781 -3.504 451 HD2 LYS 59 HD2 LYS 59 15.391 -9.154 -3.436 452 HD3 LYS 59 HD1 LYS 59 15.204 -10.041 -1.920 453 HE2 LYS 59 HE2 LYS 59 15.409 -11.567 -3.857 454 HE3 LYS 59 HE1 LYS 59 13.842 -11.740 -3.058 455 HZ1 LYS 59 HZ1 LYS 59 13.697 -11.674 -5.493 456 HZ2 LYS 59 HZ2 LYS 59 14.327 -10.107 -5.495 457 HZ3 LYS 59 HZ3 LYS 59 12.827 -10.416 -4.770 458 H TRP 60 HN TRP 60 12.335 -5.253 -2.850 459 HA TRP 60 HA TRP 60 11.498 -5.950 -5.462 460 HB2 TRP 60 HB2 TRP 60 10.718 -3.640 -3.633 461 HB3 TRP 60 HB1 TRP 60 9.928 -3.958 -5.177 462 HD1 TRP 60 HD1 TRP 60 10.216 -7.326 -4.267 463 HE1 TRP 60 HE1 TRP 60 8.238 -8.172 -2.870 464 HE3 TRP 60 HE3 TRP 60 8.345 -2.832 -2.691 465 HZ2 TRP 60 HZ2 TRP 60 6.163 -7.104 -1.322 466 HZ3 TRP 60 HZ3 TRP 60 6.354 -2.835 -1.245 467 HH2 TRP 60 HH2 TRP 60 5.287 -4.931 -0.573 468 H THR 61 HN THR 61 13.177 -3.130 -4.132 469 HA THR 61 HA THR 61 13.313 -1.576 -6.485 470 HB THR 61 HB THR 61 15.088 -1.479 -4.005 471 HG1 THR 61 HG1 THR 61 12.665 -1.098 -3.910 472 HG21 THR 61 HG21 THR 61 15.554 0.875 -4.635 473 HG22 THR 61 HG22 THR 61 14.672 0.641 -6.145 474 HG23 THR 61 HG23 THR 61 16.165 -0.251 -5.850 475 H GLN 62 HN GLN 62 15.323 -4.173 -5.193 476 HA GLN 62 HA GLN 62 17.554 -3.807 -6.941 477 HB2 GLN 62 HB2 GLN 62 17.725 -5.089 -4.811 478 HB3 GLN 62 HB1 GLN 62 16.652 -6.319 -5.475 479 HG2 GLN 62 HG2 GLN 62 18.318 -6.872 -7.204 480 HG3 GLN 62 HG1 GLN 62 19.386 -5.600 -6.607 481 HE21 GLN 62 HE21 GLN 62 19.814 -8.504 -6.852 482 HE22 GLN 62 HE22 GLN 62 20.280 -9.035 -5.277 483 H GLU 63 HN GLU 63 14.650 -5.883 -6.962 484 HA GLU 63 HA GLU 63 15.048 -7.244 -9.392 485 HB2 GLU 63 HB2 GLU 63 12.462 -6.476 -7.971 486 HB3 GLU 63 HB1 GLU 63 12.534 -7.579 -9.348 487 HG2 GLU 63 HG2 GLU 63 13.920 -9.132 -8.054 488 HG3 GLU 63 HG1 GLU 63 13.927 -8.019 -6.686 489 H VAL 64 HN VAL 64 13.461 -4.141 -8.725 490 HA VAL 64 HA VAL 64 12.498 -3.592 -11.313 491 HB VAL 64 HB VAL 64 13.223 -1.689 -9.044 492 HG11 VAL 64 HG11 VAL 64 13.305 -0.416 -11.142 493 HG12 VAL 64 HG12 VAL 64 11.865 0.034 -10.230 494 HG13 VAL 64 HG13 VAL 64 11.724 -1.048 -11.618 495 HG21 VAL 64 HG21 VAL 64 11.367 -3.252 -8.529 496 HG22 VAL 64 HG22 VAL 64 10.510 -2.723 -9.978 497 HG23 VAL 64 HG23 VAL 64 10.781 -1.590 -8.651 498 H ASN 65 HN ASN 65 15.446 -2.422 -9.671 499 HA ASN 65 HA ASN 65 16.568 -1.075 -11.889 500 HB2 ASN 65 HB2 ASN 65 17.639 -1.912 -9.181 501 HB3 ASN 65 HB1 ASN 65 18.758 -1.293 -10.391 502 HD21 ASN 65 HD21 ASN 65 15.949 -0.456 -8.406 503 HD22 ASN 65 HD22 ASN 65 16.158 1.249 -8.527 504 H ASP 66 HN ASP 66 16.641 -4.480 -11.042 505 HA ASP 66 HA ASP 66 18.856 -5.044 -12.892 506 HB2 ASP 66 HB2 ASP 66 18.748 -6.043 -10.554 507 HB3 ASP 66 HB1 ASP 66 17.345 -6.971 -11.072 508 H GLY 67 HN GLY 67 15.724 -4.466 -13.375 509 HA2 GLY 67 HA2 GLY 67 14.192 -4.959 -14.985 510 HA3 GLY 67 HA1 GLY 67 15.478 -5.785 -15.839 511 H LYS 68 HN LYS 68 14.823 -7.036 -12.724 512 HA LYS 68 HA LYS 68 13.636 -9.480 -13.725 513 HB2 LYS 68 HB2 LYS 68 14.186 -8.543 -10.888 514 HB3 LYS 68 HB1 LYS 68 13.615 -10.155 -11.314 515 HG2 LYS 68 HG2 LYS 68 16.283 -8.970 -12.173 516 HG3 LYS 68 HG1 LYS 68 16.045 -10.024 -10.782 517 HD2 LYS 68 HD2 LYS 68 16.807 -11.544 -12.382 518 HD3 LYS 68 HD1 LYS 68 15.064 -11.719 -12.559 519 HE2 LYS 68 HE2 LYS 68 16.182 -11.631 -14.755 520 HE3 LYS 68 HE1 LYS 68 15.119 -10.243 -14.543 521 HZ1 LYS 68 HZ1 LYS 68 18.072 -10.255 -14.248 522 HZ2 LYS 68 HZ2 LYS 68 17.088 -8.925 -13.918 523 HZ3 LYS 68 HZ3 LYS 68 17.180 -9.533 -15.493 524 H ALA 69 HN ALA 69 12.565 -6.521 -12.271 525 HA ALA 69 HA ALA 69 9.776 -7.219 -12.868 526 HB1 ALA 69 HB1 ALA 69 10.066 -7.716 -10.463 527 HB2 ALA 69 HB2 ALA 69 9.012 -6.321 -10.698 528 HB3 ALA 69 HB3 ALA 69 10.689 -6.086 -10.190 529 H THR 70 HN THR 70 8.448 -5.286 -13.021 530 HA THR 70 HA THR 70 9.870 -2.871 -13.856 531 HB THR 70 HB THR 70 7.534 -2.108 -14.528 532 HG1 THR 70 HG1 THR 70 6.826 -4.783 -13.802 533 HG21 THR 70 HG21 THR 70 7.292 -3.644 -16.446 534 HG22 THR 70 HG22 THR 70 8.378 -4.800 -15.674 535 HG23 THR 70 HG23 THR 70 8.990 -3.228 -16.194 536 H THR 71 HN THR 71 9.044 -0.770 -13.114 537 HA THR 71 HA THR 71 9.065 -0.373 -10.348 538 HB THR 71 HB THR 71 8.131 1.938 -10.902 539 HG1 THR 71 HG1 THR 71 8.285 2.154 -13.420 540 HG21 THR 71 HG21 THR 71 10.564 1.585 -10.917 541 HG22 THR 71 HG22 THR 71 10.087 2.720 -12.182 542 HG23 THR 71 HG23 THR 71 10.485 1.054 -12.598 543 H GLU 72 HN GLU 72 6.333 -0.218 -12.641 544 HA GLU 72 HA GLU 72 4.259 0.403 -10.960 545 HB2 GLU 72 HB2 GLU 72 2.770 -0.427 -12.747 546 HB3 GLU 72 HB1 GLU 72 4.119 0.502 -13.394 547 HG2 GLU 72 HG2 GLU 72 5.272 -1.657 -13.940 548 HG3 GLU 72 HG1 GLU 72 3.825 -2.512 -13.415 549 H GLN 73 HN GLN 73 5.577 -2.798 -11.567 550 HA GLN 73 HA GLN 73 3.582 -4.442 -10.609 551 HB2 GLN 73 HB2 GLN 73 5.598 -5.239 -11.800 552 HB3 GLN 73 HB1 GLN 73 6.594 -4.865 -10.397 553 HG2 GLN 73 HG2 GLN 73 5.374 -6.564 -9.086 554 HG3 GLN 73 HG1 GLN 73 4.374 -6.940 -10.487 555 HE21 GLN 73 HE21 GLN 73 6.105 -8.677 -8.946 556 HE22 GLN 73 HE22 GLN 73 7.234 -9.347 -10.068 557 H TYR 74 HN TYR 74 5.965 -2.635 -8.716 558 HA TYR 74 HA TYR 74 4.734 -3.635 -6.200 559 HB2 TYR 74 HB2 TYR 74 7.538 -2.501 -6.593 560 HB3 TYR 74 HB1 TYR 74 6.883 -3.162 -5.096 561 HD1 TYR 74 HD2 TYR 74 5.786 -5.682 -5.539 562 HD2 TYR 74 HD1 TYR 74 9.057 -3.928 -7.667 563 HE1 TYR 74 HE2 TYR 74 6.588 -7.918 -6.150 564 HE2 TYR 74 HE1 TYR 74 9.858 -6.170 -8.258 565 HH TYR 74 HH TYR 74 9.671 -8.452 -7.470 566 H PHE 75 HN PHE 75 5.329 -0.799 -8.136 567 HA PHE 75 HA PHE 75 4.941 1.008 -5.840 568 HB2 PHE 75 HB2 PHE 75 6.484 1.461 -8.442 569 HB3 PHE 75 HB1 PHE 75 6.219 2.692 -7.213 570 HD1 PHE 75 HD2 PHE 75 7.221 2.330 -4.874 571 HD2 PHE 75 HD1 PHE 75 8.353 -0.058 -8.241 572 HE1 PHE 75 HE2 PHE 75 9.267 1.630 -3.701 573 HE2 PHE 75 HE1 PHE 75 10.393 -0.755 -7.053 574 HZ PHE 75 HZ PHE 75 10.852 0.087 -4.784 575 H VAL 76 HN VAL 76 2.951 -0.351 -7.842 576 HA VAL 76 HA VAL 76 1.364 2.162 -8.052 577 HB VAL 76 HB VAL 76 0.856 -0.578 -9.324 578 HG11 VAL 76 HG11 VAL 76 -1.246 0.345 -10.248 579 HG12 VAL 76 HG12 VAL 76 -1.015 1.827 -9.312 580 HG13 VAL 76 HG13 VAL 76 -1.293 0.290 -8.488 581 HG21 VAL 76 HG21 VAL 76 1.218 2.161 -10.602 582 HG22 VAL 76 HG22 VAL 76 0.909 0.646 -11.461 583 HG23 VAL 76 HG23 VAL 76 2.420 0.874 -10.575 584 H LEU 77 HN LEU 77 -0.574 2.239 -6.895 585 HA LEU 77 HA LEU 77 -0.354 1.300 -4.282 586 HB2 LEU 77 HB2 LEU 77 -2.262 2.986 -5.804 587 HB3 LEU 77 HB1 LEU 77 -2.943 2.251 -4.370 588 HG LEU 77 HG LEU 77 -2.058 4.529 -3.963 589 HD11 LEU 77 HD11 LEU 77 -0.905 4.023 -1.874 590 HD12 LEU 77 HD12 LEU 77 -0.618 2.366 -2.404 591 HD13 LEU 77 HD13 LEU 77 -2.267 2.932 -2.114 592 HD21 LEU 77 HD21 LEU 77 0.347 4.967 -3.888 593 HD22 LEU 77 HD22 LEU 77 -0.157 4.516 -5.516 594 HD23 LEU 77 HD23 LEU 77 0.680 3.343 -4.499 595 H LYS 78 HN LYS 78 -2.454 0.045 -6.875 596 HA LYS 78 HA LYS 78 -3.998 -1.685 -5.186 597 HB2 LYS 78 HB2 LYS 78 -4.703 -2.796 -7.325 598 HB3 LYS 78 HB1 LYS 78 -4.885 -1.045 -7.360 599 HG2 LYS 78 HG2 LYS 78 -2.709 -0.898 -8.598 600 HG3 LYS 78 HG1 LYS 78 -2.686 -2.660 -8.691 601 HD2 LYS 78 HD2 LYS 78 -4.755 -2.634 -10.016 602 HD3 LYS 78 HD1 LYS 78 -4.865 -0.879 -9.843 603 HE2 LYS 78 HE2 LYS 78 -3.975 -1.468 -12.049 604 HE3 LYS 78 HE1 LYS 78 -2.751 -0.620 -11.102 605 HZ1 LYS 78 HZ1 LYS 78 -2.908 -3.560 -11.511 606 HZ2 LYS 78 HZ2 LYS 78 -1.732 -2.752 -10.605 607 HZ3 LYS 78 HZ3 LYS 78 -1.825 -2.506 -12.272 608 H ASN 79 HN ASN 79 -1.069 -2.116 -7.121 609 HA ASN 79 HA ASN 79 -0.699 -4.907 -6.711 610 HB2 ASN 79 HB2 ASN 79 1.312 -2.730 -7.432 611 HB3 ASN 79 HB1 ASN 79 1.617 -4.458 -7.558 612 HD21 ASN 79 HD21 ASN 79 0.626 -5.622 -9.235 613 HD22 ASN 79 HD22 ASN 79 -0.099 -4.845 -10.594 614 H LEU 80 HN LEU 80 0.704 -2.039 -5.229 615 HA LEU 80 HA LEU 80 2.423 -3.131 -3.352 616 HB2 LEU 80 HB2 LEU 80 2.413 -0.747 -4.011 617 HB3 LEU 80 HB1 LEU 80 0.844 -0.529 -3.259 618 HG LEU 80 HG LEU 80 1.896 -0.998 -1.020 619 HD11 LEU 80 HD11 LEU 80 3.823 -2.336 -1.714 620 HD12 LEU 80 HD12 LEU 80 4.338 -0.943 -0.769 621 HD13 LEU 80 HD13 LEU 80 4.533 -0.932 -2.523 622 HD21 LEU 80 HD21 LEU 80 3.114 1.335 -2.535 623 HD22 LEU 80 HD22 LEU 80 2.982 1.189 -0.781 624 HD23 LEU 80 HD23 LEU 80 1.524 1.313 -1.763 625 H ALA 81 HN ALA 81 -0.982 -2.116 -2.996 626 HA ALA 81 HA ALA 81 -1.359 -2.766 -0.281 627 HB1 ALA 81 HB1 ALA 81 -3.769 -2.640 -0.747 628 HB2 ALA 81 HB2 ALA 81 -3.450 -2.720 -2.484 629 HB3 ALA 81 HB3 ALA 81 -2.906 -1.326 -1.550 630 H ALA 82 HN ALA 82 -1.639 -4.753 -3.190 631 HA ALA 82 HA ALA 82 -2.781 -7.067 -1.993 632 HB1 ALA 82 HB1 ALA 82 -1.031 -6.867 -4.470 633 HB2 ALA 82 HB2 ALA 82 -2.787 -6.705 -4.427 634 HB3 ALA 82 HB3 ALA 82 -2.037 -8.250 -4.023 635 H ARG 83 HN ARG 83 0.577 -6.054 -2.566 636 HA ARG 83 HA ARG 83 1.890 -8.362 -1.583 637 HB2 ARG 83 HB2 ARG 83 2.962 -5.507 -1.635 638 HB3 ARG 83 HB1 ARG 83 3.921 -6.983 -1.509 639 HG2 ARG 83 HG2 ARG 83 2.292 -6.079 -3.906 640 HG3 ARG 83 HG1 ARG 83 4.051 -6.093 -3.768 641 HD2 ARG 83 HD2 ARG 83 2.285 -8.569 -3.675 642 HD3 ARG 83 HD1 ARG 83 3.132 -7.990 -5.110 643 HE ARG 83 HE ARG 83 4.607 -8.727 -2.653 644 HH11 ARG 83 HH11 ARG 83 4.057 -9.191 -6.098 645 HH12 ARG 83 HH12 ARG 83 5.420 -10.247 -6.278 646 HH21 ARG 83 HH21 ARG 83 6.385 -10.125 -2.943 647 HH22 ARG 83 HH22 ARG 83 6.726 -10.759 -4.518 648 H ILE 84 HN ILE 84 0.963 -5.346 -0.028 649 HA ILE 84 HA ILE 84 2.057 -5.731 2.536 650 HB ILE 84 HB ILE 84 -0.326 -4.115 1.530 651 HG12 ILE 84 HG12 ILE 84 2.475 -3.181 2.299 652 HG13 ILE 84 HG11 ILE 84 2.007 -3.578 0.652 653 HG21 ILE 84 HG21 ILE 84 -0.683 -4.467 3.919 654 HG22 ILE 84 HG22 ILE 84 -0.223 -2.792 3.625 655 HG23 ILE 84 HG23 ILE 84 0.958 -3.926 4.278 656 HD11 ILE 84 HD11 ILE 84 0.852 -1.373 2.339 657 HD12 ILE 84 HD12 ILE 84 0.401 -1.756 0.672 658 HD13 ILE 84 HD13 ILE 84 2.035 -1.202 1.044 659 H ASP 85 HN ASP 85 -1.201 -6.359 1.254 660 HA ASP 85 HA ASP 85 -2.421 -7.346 3.573 661 HB2 ASP 85 HB2 ASP 85 -3.631 -6.568 1.542 662 HB3 ASP 85 HB1 ASP 85 -3.092 -7.995 0.666 663 H GLU 86 HN GLU 86 -0.746 -9.101 0.950 664 HA GLU 86 HA GLU 86 -1.301 -11.733 1.941 665 HB2 GLU 86 HB2 GLU 86 0.239 -12.581 0.280 666 HB3 GLU 86 HB1 GLU 86 -0.693 -11.277 -0.446 667 HG2 GLU 86 HG2 GLU 86 1.205 -9.750 -0.196 668 HG3 GLU 86 HG1 GLU 86 2.146 -11.013 0.593 669 H LEU 87 HN LEU 87 1.341 -9.438 2.468 670 HA LEU 87 HA LEU 87 2.996 -11.130 4.019 671 HB2 LEU 87 HB2 LEU 87 2.724 -8.115 3.924 672 HB3 LEU 87 HB1 LEU 87 3.855 -8.898 5.018 673 HG LEU 87 HG LEU 87 3.909 -9.087 1.977 674 HD11 LEU 87 HD11 LEU 87 4.621 -6.897 2.811 675 HD12 LEU 87 HD12 LEU 87 5.975 -7.787 2.122 676 HD13 LEU 87 HD13 LEU 87 5.803 -7.667 3.876 677 HD21 LEU 87 HD21 LEU 87 5.814 -10.312 4.007 678 HD22 LEU 87 HD22 LEU 87 6.030 -10.317 2.254 679 HD23 LEU 87 HD23 LEU 87 4.683 -11.190 2.974 680 H VAL 88 HN VAL 88 0.270 -9.010 4.946 681 HA VAL 88 HA VAL 88 0.457 -9.388 7.762 682 HB VAL 88 HB VAL 88 -2.094 -8.825 6.157 683 HG11 VAL 88 HG11 VAL 88 -2.995 -7.909 8.295 684 HG12 VAL 88 HG12 VAL 88 -1.516 -8.412 9.121 685 HG13 VAL 88 HG13 VAL 88 -2.595 -9.625 8.435 686 HG21 VAL 88 HG21 VAL 88 -0.193 -6.844 7.480 687 HG22 VAL 88 HG22 VAL 88 -1.722 -6.434 6.699 688 HG23 VAL 88 HG23 VAL 88 -0.390 -7.084 5.745 689 H ALA 89 HN ALA 89 -1.227 -11.102 5.197 690 HA ALA 89 HA ALA 89 -2.704 -12.952 6.746 691 HB1 ALA 89 HB1 ALA 89 -3.056 -14.130 4.608 692 HB2 ALA 89 HB2 ALA 89 -1.790 -13.153 3.856 693 HB3 ALA 89 HB3 ALA 89 -3.278 -12.388 4.420 694 H ALA 90 HN ALA 90 0.475 -13.154 5.163 695 HA ALA 90 HA ALA 90 0.934 -15.906 5.782 696 HB1 ALA 90 HB1 ALA 90 2.887 -13.788 4.833 697 HB2 ALA 90 HB2 ALA 90 1.903 -14.825 3.801 698 HB3 ALA 90 HB3 ALA 90 3.160 -15.531 4.818 699 H LYS 91 HN LYS 91 1.956 -12.841 7.319 700 HA LYS 91 HA LYS 91 3.943 -14.036 9.032 701 HB2 LYS 91 HB2 LYS 91 4.180 -11.866 10.073 702 HB3 LYS 91 HB1 LYS 91 3.976 -11.599 8.346 703 HG2 LYS 91 HG2 LYS 91 1.666 -10.922 8.666 704 HG3 LYS 91 HG1 LYS 91 1.732 -11.347 10.376 705 HD2 LYS 91 HD2 LYS 91 3.445 -9.554 10.706 706 HD3 LYS 91 HD1 LYS 91 3.249 -9.096 9.008 707 HE2 LYS 91 HE2 LYS 91 1.912 -7.636 10.469 708 HE3 LYS 91 HE1 LYS 91 0.860 -8.592 9.423 709 HZ1 LYS 91 HZ1 LYS 91 0.474 -10.105 11.264 710 HZ2 LYS 91 HZ2 LYS 91 0.049 -8.530 11.698 711 HZ3 LYS 91 HZ3 LYS 91 1.492 -9.204 12.262 712 H GLY 92 HN GLY 92 0.508 -13.310 9.290 713 HA2 GLY 92 HA2 GLY 92 0.412 -13.891 12.165 714 HA3 GLY 92 HA1 GLY 92 -0.894 -13.267 11.166 715 H ALA 93 HN ALA 93 -0.304 -15.326 9.067 716 HA ALA 93 HA ALA 93 -1.251 -17.242 8.326 717 HB1 ALA 93 HB1 ALA 93 0.571 -18.245 9.656 718 HB2 ALA 93 HB2 ALA 93 -0.857 -19.285 9.672 719 HB3 ALA 93 HB3 ALA 93 -0.475 -18.283 11.076 720 H LEU 94 HN LEU 94 -2.882 -19.193 9.443 721 HA LEU 94 HA LEU 94 -5.315 -17.778 10.174 722 HB2 LEU 94 HB2 LEU 94 -4.735 -20.767 9.993 723 HB3 LEU 94 HB1 LEU 94 -6.324 -20.042 10.181 724 HG LEU 94 HG LEU 94 -4.528 -19.745 7.735 725 HD11 LEU 94 HD11 LEU 94 -6.223 -21.075 6.562 726 HD12 LEU 94 HD12 LEU 94 -7.101 -21.304 8.077 727 HD13 LEU 94 HD13 LEU 94 -5.482 -21.976 7.884 728 HD21 LEU 94 HD21 LEU 94 -5.850 -17.694 8.056 729 HD22 LEU 94 HD22 LEU 94 -7.334 -18.642 8.176 730 HD23 LEU 94 HD23 LEU 94 -6.436 -18.593 6.657 731 H GLU 95 HN GLU 95 -5.759 -17.234 12.257 732 HA GLU 95 HA GLU 95 -4.059 -17.785 14.425 733 HB2 GLU 95 HB2 GLU 95 -5.553 -16.533 15.795 734 HB3 GLU 95 HB1 GLU 95 -5.678 -15.826 14.194 735 HG2 GLU 95 HG2 GLU 95 -7.709 -17.651 15.538 736 HG3 GLU 95 HG1 GLU 95 -7.859 -15.917 15.269 737 H HIS 96 HN HIS 96 -6.905 -19.429 13.304 738 HA HIS 96 HA HIS 96 -6.152 -21.815 14.872 739 HB2 HIS 96 HB2 HIS 96 -9.040 -21.125 14.088 740 HB3 HIS 96 HB1 HIS 96 -8.502 -22.461 15.102 741 HD1 HIS 96 HD1 HIS 96 -9.810 -19.086 15.276 742 HD2 HIS 96 HD2 HIS 96 -7.409 -21.474 17.694 743 HE1 HIS 96 HE1 HIS 96 -9.884 -18.028 17.555 744 HE2 HIS 96 HE2 HIS 96 -8.217 -19.340 18.908 745 H HIS 97 HN HIS 97 -5.915 -23.606 13.486 746 HA HIS 97 HA HIS 97 -5.818 -23.054 10.645 747 HB2 HIS 97 HB2 HIS 97 -5.094 -25.512 12.280 748 HB3 HIS 97 HB1 HIS 97 -4.992 -25.494 10.523 749 HD1 HIS 97 HD1 HIS 97 -2.469 -25.747 10.442 750 HD2 HIS 97 HD2 HIS 97 -3.686 -22.443 12.650 751 HE1 HIS 97 HE1 HIS 97 -0.382 -24.428 10.887 752 HE2 HIS 97 HE2 HIS 97 -1.116 -22.569 12.412 753 H HIS 98 HN HIS 98 -8.089 -22.605 10.438 754 HA HIS 98 HA HIS 98 -9.656 -24.927 9.534 755 HB2 HIS 98 HB2 HIS 98 -10.769 -22.703 11.321 756 HB3 HIS 98 HB1 HIS 98 -11.752 -23.899 10.493 757 HD1 HIS 98 HD1 HIS 98 -12.167 -26.073 11.710 758 HD2 HIS 98 HD2 HIS 98 -9.165 -23.822 13.496 759 HE1 HIS 98 HE1 HIS 98 -11.660 -27.231 13.882 760 HE2 HIS 98 HE2 HIS 98 -9.768 -25.922 14.893 761 H HIS 99 HN HIS 99 -11.756 -23.814 8.341 762 HA HIS 99 HA HIS 99 -10.703 -22.012 6.341 763 HB2 HIS 99 HB2 HIS 99 -13.393 -23.350 6.737 764 HB3 HIS 99 HB1 HIS 99 -13.217 -22.071 5.545 765 HD1 HIS 99 HD1 HIS 99 -12.004 -22.612 3.383 766 HD2 HIS 99 HD2 HIS 99 -11.983 -25.757 6.100 767 HE1 HIS 99 HE1 HIS 99 -11.151 -24.600 2.102 768 HE2 HIS 99 HE2 HIS 99 -11.003 -26.444 3.809 769 H HIS 100 HN HIS 100 -12.170 -21.566 9.369 770 HA HIS 100 HA HIS 100 -12.780 -19.796 10.621 771 HB2 HIS 100 HB2 HIS 100 -10.719 -18.764 9.487 772 HB3 HIS 100 HB1 HIS 100 -11.826 -17.964 8.381 773 HD1 HIS 100 HD1 HIS 100 -13.202 -15.958 9.329 774 HD2 HIS 100 HD2 HIS 100 -10.655 -17.717 12.099 775 HE1 HIS 100 HE1 HIS 100 -13.078 -14.344 11.252 776 HE2 HIS 100 HE2 HIS 100 -11.677 -15.517 12.980 777 H HIS 101 HN HIS 101 -14.456 -20.929 8.301 778 HA HIS 101 HA HIS 101 -16.893 -19.664 8.733 779 HB2 HIS 101 HB2 HIS 101 -15.991 -17.743 7.428 780 HB3 HIS 101 HB1 HIS 101 -15.601 -18.810 6.087 781 HD1 HIS 101 HD1 HIS 101 -18.723 -17.755 8.028 782 HD2 HIS 101 HD2 HIS 101 -17.545 -18.824 4.184 783 HE1 HIS 101 HE1 HIS 101 -20.780 -17.529 6.599 784 HE2 HIS 101 HE2 HIS 101 -20.021 -18.073 4.262 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -10.154 -6.192 7.641 2 H2 MET 1 HT2 MET 1 -11.041 -6.644 6.279 3 H3 MET 1 HT3 MET 1 -11.243 -7.477 7.739 4 HA MET 1 HA MET 1 -13.087 -5.998 7.333 5 HB2 MET 1 HB2 MET 1 -11.267 -5.078 9.606 6 HB3 MET 1 HB1 MET 1 -12.976 -4.679 9.475 7 HG2 MET 1 HG2 MET 1 -13.580 -7.025 9.704 8 HG3 MET 1 HG1 MET 1 -11.871 -7.485 9.736 9 HE1 MET 1 HE1 MET 1 -12.937 -8.120 13.463 10 HE2 MET 1 HE2 MET 1 -12.208 -8.816 12.018 11 HE3 MET 1 HE3 MET 1 -13.925 -8.406 12.030 12 H THR 2 HN THR 2 -10.209 -3.973 8.052 13 HA THR 2 HA THR 2 -11.200 -1.769 6.441 14 HB THR 2 HB THR 2 -8.932 -0.732 7.022 15 HG1 THR 2 HG1 THR 2 -7.688 -1.853 8.602 16 HG21 THR 2 HG21 THR 2 -9.452 -0.347 9.400 17 HG22 THR 2 HG22 THR 2 -10.567 -1.713 9.400 18 HG23 THR 2 HG23 THR 2 -10.928 -0.280 8.430 19 H SER 3 HN SER 3 -10.688 -1.387 4.369 20 HA SER 3 HA SER 3 -9.342 -3.264 2.724 21 HB2 SER 3 HB2 SER 3 -9.994 -0.361 2.037 22 HB3 SER 3 HB1 SER 3 -9.781 -1.707 0.912 23 HG SER 3 HG SER 3 -11.934 -1.108 2.610 24 H THR 4 HN THR 4 -7.220 -3.419 2.271 25 HA THR 4 HA THR 4 -5.250 -2.146 3.778 26 HB THR 4 HB THR 4 -4.826 -3.583 1.117 27 HG1 THR 4 HG1 THR 4 -4.839 -5.470 2.339 28 HG21 THR 4 HG21 THR 4 -2.617 -4.178 2.070 29 HG22 THR 4 HG22 THR 4 -2.980 -3.256 3.530 30 HG23 THR 4 HG23 THR 4 -2.796 -2.424 1.983 31 H PHE 5 HN PHE 5 -6.353 -1.511 0.439 32 HA PHE 5 HA PHE 5 -4.490 0.392 -0.381 33 HB2 PHE 5 HB2 PHE 5 -6.020 -0.476 -2.013 34 HB3 PHE 5 HB1 PHE 5 -7.425 0.018 -1.076 35 HD1 PHE 5 HD1 PHE 5 -4.459 1.492 -2.881 36 HD2 PHE 5 HD2 PHE 5 -8.526 2.038 -1.647 37 HE1 PHE 5 HE1 PHE 5 -4.552 3.628 -4.085 38 HE2 PHE 5 HE2 PHE 5 -8.601 4.173 -2.870 39 HZ PHE 5 HZ PHE 5 -6.613 4.971 -4.079 40 H ASP 6 HN ASP 6 -7.565 0.940 1.364 41 HA ASP 6 HA ASP 6 -7.455 3.756 1.517 42 HB2 ASP 6 HB2 ASP 6 -8.804 1.718 3.343 43 HB3 ASP 6 HB1 ASP 6 -9.015 3.460 3.519 44 H ARG 7 HN ARG 7 -6.284 1.249 3.759 45 HA ARG 7 HA ARG 7 -5.333 2.914 5.793 46 HB2 ARG 7 HB2 ARG 7 -4.479 0.129 4.902 47 HB3 ARG 7 HB1 ARG 7 -3.908 0.893 6.382 48 HG2 ARG 7 HG2 ARG 7 -6.822 0.257 5.770 49 HG3 ARG 7 HG1 ARG 7 -5.755 -0.731 6.776 50 HD2 ARG 7 HD2 ARG 7 -6.640 2.127 7.337 51 HD3 ARG 7 HD1 ARG 7 -7.149 0.674 8.203 52 HE ARG 7 HE ARG 7 -4.818 0.430 8.962 53 HH11 ARG 7 HH11 ARG 7 -5.829 3.635 7.906 54 HH12 ARG 7 HH12 ARG 7 -4.569 4.440 8.778 55 HH21 ARG 7 HH21 ARG 7 -3.165 1.502 10.059 56 HH22 ARG 7 HH22 ARG 7 -3.062 3.231 10.010 57 H VAL 8 HN VAL 8 -3.688 1.683 2.858 58 HA VAL 8 HA VAL 8 -1.073 2.659 3.473 59 HB VAL 8 HB VAL 8 -2.307 1.814 0.799 60 HG11 VAL 8 HG11 VAL 8 -0.310 3.218 0.411 61 HG12 VAL 8 HG12 VAL 8 0.012 1.543 -0.034 62 HG13 VAL 8 HG13 VAL 8 0.642 2.187 1.484 63 HG21 VAL 8 HG21 VAL 8 -1.190 -0.344 1.169 64 HG22 VAL 8 HG22 VAL 8 -2.285 0.013 2.503 65 HG23 VAL 8 HG23 VAL 8 -0.549 0.229 2.711 66 H ALA 9 HN ALA 9 -3.796 3.840 1.563 67 HA ALA 9 HA ALA 9 -2.593 6.060 0.327 68 HB1 ALA 9 HB1 ALA 9 -4.887 6.852 -0.116 69 HB2 ALA 9 HB2 ALA 9 -5.527 5.688 1.050 70 HB3 ALA 9 HB3 ALA 9 -4.751 5.123 -0.433 71 H THR 10 HN THR 10 -4.341 5.727 3.397 72 HA THR 10 HA THR 10 -4.249 8.408 4.262 73 HB THR 10 HB THR 10 -4.334 5.860 5.941 74 HG1 THR 10 HG1 THR 10 -6.119 6.872 4.264 75 HG21 THR 10 HG21 THR 10 -5.165 8.695 6.696 76 HG22 THR 10 HG22 THR 10 -3.773 7.828 7.349 77 HG23 THR 10 HG23 THR 10 -5.403 7.249 7.687 78 H ILE 11 HN ILE 11 -1.991 5.667 4.878 79 HA ILE 11 HA ILE 11 -0.118 6.971 6.489 80 HB ILE 11 HB ILE 11 0.252 4.725 4.462 81 HG12 ILE 11 HG12 ILE 11 0.097 4.605 7.509 82 HG13 ILE 11 HG11 ILE 11 -1.269 4.309 6.440 83 HG21 ILE 11 HG21 ILE 11 2.447 5.744 4.771 84 HG22 ILE 11 HG22 ILE 11 2.405 4.190 5.601 85 HG23 ILE 11 HG23 ILE 11 2.268 5.686 6.525 86 HD11 ILE 11 HD11 ILE 11 -0.312 2.239 7.249 87 HD12 ILE 11 HD12 ILE 11 1.257 2.663 6.570 88 HD13 ILE 11 HD13 ILE 11 -0.116 2.365 5.502 89 H ILE 12 HN ILE 12 -0.122 6.638 2.923 90 HA ILE 12 HA ILE 12 2.187 8.066 2.307 91 HB ILE 12 HB ILE 12 -0.379 7.658 0.706 92 HG12 ILE 12 HG12 ILE 12 2.317 6.249 0.659 93 HG13 ILE 12 HG11 ILE 12 0.776 5.565 1.151 94 HG21 ILE 12 HG21 ILE 12 0.832 8.324 -1.336 95 HG22 ILE 12 HG22 ILE 12 2.239 8.763 -0.365 96 HG23 ILE 12 HG23 ILE 12 0.731 9.659 -0.187 97 HD11 ILE 12 HD11 ILE 12 1.385 4.706 -0.989 98 HD12 ILE 12 HD12 ILE 12 1.628 6.326 -1.638 99 HD13 ILE 12 HD13 ILE 12 0.004 5.783 -1.203 100 H ALA 13 HN ALA 13 -1.181 9.166 2.447 101 HA ALA 13 HA ALA 13 -0.995 11.820 1.896 102 HB1 ALA 13 HB1 ALA 13 -3.102 10.600 2.221 103 HB2 ALA 13 HB2 ALA 13 -3.081 12.097 3.156 104 HB3 ALA 13 HB3 ALA 13 -2.811 10.548 3.961 105 H GLU 14 HN GLU 14 -0.880 10.463 5.201 106 HA GLU 14 HA GLU 14 -0.476 13.037 6.398 107 HB2 GLU 14 HB2 GLU 14 -0.243 10.313 7.731 108 HB3 GLU 14 HB1 GLU 14 -0.481 11.866 8.533 109 HG2 GLU 14 HG2 GLU 14 -2.450 10.355 6.793 110 HG3 GLU 14 HG1 GLU 14 -2.568 10.676 8.518 111 H THR 15 HN THR 15 1.712 10.512 5.333 112 HA THR 15 HA THR 15 3.957 11.460 6.917 113 HB THR 15 HB THR 15 3.952 9.453 4.616 114 HG1 THR 15 HG1 THR 15 2.700 8.836 6.506 115 HG21 THR 15 HG21 THR 15 6.224 10.347 5.034 116 HG22 THR 15 HG22 THR 15 6.103 8.665 5.555 117 HG23 THR 15 HG23 THR 15 6.065 9.963 6.751 118 H CYS 16 HN CYS 16 2.878 11.721 3.479 119 HA CYS 16 HA CYS 16 5.285 13.228 2.737 120 HB2 CYS 16 HB2 CYS 16 4.556 11.271 1.351 121 HB3 CYS 16 HB1 CYS 16 3.061 12.109 0.974 122 HG CYS 16 HG CYS 16 5.320 14.212 0.135 123 H ASP 17 HN ASP 17 2.274 14.058 3.923 124 HA ASP 17 HA ASP 17 0.876 15.795 3.891 125 HB2 ASP 17 HB2 ASP 17 2.949 17.011 4.537 126 HB3 ASP 17 HB1 ASP 17 3.284 17.335 2.839 127 H ILE 18 HN ILE 18 -0.104 14.448 2.140 128 HA ILE 18 HA ILE 18 -0.880 16.162 -0.100 129 HB ILE 18 HB ILE 18 -0.826 14.058 -1.675 130 HG12 ILE 18 HG12 ILE 18 1.303 13.184 0.343 131 HG13 ILE 18 HG11 ILE 18 -0.224 12.363 0.052 132 HG21 ILE 18 HG21 ILE 18 1.426 14.583 -2.500 133 HG22 ILE 18 HG22 ILE 18 1.804 15.420 -0.994 134 HG23 ILE 18 HG23 ILE 18 0.555 16.055 -2.068 135 HD11 ILE 18 HD11 ILE 18 1.623 11.220 -1.016 136 HD12 ILE 18 HD12 ILE 18 2.016 12.662 -1.946 137 HD13 ILE 18 HD13 ILE 18 0.487 11.819 -2.223 138 HA PRO 19 HA PRO 19 -4.898 14.474 1.085 139 HB2 PRO 19 HB2 PRO 19 -5.792 14.703 -1.765 140 HB3 PRO 19 HB1 PRO 19 -6.430 15.505 -0.321 141 HG2 PRO 19 HG2 PRO 19 -5.007 16.871 -2.139 142 HG3 PRO 19 HG1 PRO 19 -4.825 17.210 -0.405 143 HD2 PRO 19 HD2 PRO 19 -3.037 15.546 -2.201 144 HD3 PRO 19 HD1 PRO 19 -2.589 16.792 -1.008 145 H ARG 20 HN ARG 20 -5.423 12.328 1.429 146 HA ARG 20 HA ARG 20 -4.347 10.196 -0.103 147 HB2 ARG 20 HB2 ARG 20 -5.721 8.691 1.308 148 HB3 ARG 20 HB1 ARG 20 -4.832 9.860 2.251 149 HG2 ARG 20 HG2 ARG 20 -6.884 9.750 3.347 150 HG3 ARG 20 HG1 ARG 20 -7.038 11.206 2.366 151 HD2 ARG 20 HD2 ARG 20 -8.436 10.047 0.762 152 HD3 ARG 20 HD1 ARG 20 -8.122 8.496 1.536 153 HE ARG 20 HE ARG 20 -9.566 9.036 3.260 154 HH11 ARG 20 HH11 ARG 20 -9.354 11.750 1.020 155 HH12 ARG 20 HH12 ARG 20 -10.802 12.498 1.608 156 HH21 ARG 20 HH21 ARG 20 -11.435 10.040 4.024 157 HH22 ARG 20 HH22 ARG 20 -11.971 11.534 3.328 158 H GLU 21 HN GLU 21 -7.062 12.152 -0.686 159 HA GLU 21 HA GLU 21 -8.694 10.201 -2.078 160 HB2 GLU 21 HB2 GLU 21 -10.159 12.165 -2.554 161 HB3 GLU 21 HB1 GLU 21 -9.800 11.985 -0.836 162 HG2 GLU 21 HG2 GLU 21 -8.015 13.748 -1.105 163 HG3 GLU 21 HG1 GLU 21 -8.591 14.007 -2.751 164 H THR 22 HN THR 22 -6.131 12.489 -2.799 165 HA THR 22 HA THR 22 -6.469 12.246 -5.685 166 HB THR 22 HB THR 22 -4.423 13.641 -5.865 167 HG1 THR 22 HG1 THR 22 -3.759 12.749 -3.559 168 HG21 THR 22 HG21 THR 22 -6.589 14.802 -5.626 169 HG22 THR 22 HG22 THR 22 -5.297 15.722 -4.850 170 HG23 THR 22 HG23 THR 22 -6.426 14.778 -3.869 171 H ILE 23 HN ILE 23 -5.399 10.154 -3.369 172 HA ILE 23 HA ILE 23 -3.482 8.760 -5.101 173 HB ILE 23 HB ILE 23 -4.490 8.320 -2.249 174 HG12 ILE 23 HG12 ILE 23 -2.030 8.215 -1.688 175 HG13 ILE 23 HG11 ILE 23 -1.659 8.547 -3.370 176 HG21 ILE 23 HG21 ILE 23 -3.005 6.261 -3.890 177 HG22 ILE 23 HG22 ILE 23 -4.634 6.116 -3.233 178 HG23 ILE 23 HG23 ILE 23 -3.247 6.170 -2.146 179 HD11 ILE 23 HD11 ILE 23 -1.385 10.495 -1.961 180 HD12 ILE 23 HD12 ILE 23 -3.080 10.412 -1.483 181 HD13 ILE 23 HD13 ILE 23 -2.649 10.754 -3.160 182 H THR 24 HN THR 24 -4.187 7.090 -6.413 183 HA THR 24 HA THR 24 -6.990 6.112 -6.211 184 HB THR 24 HB THR 24 -7.015 5.976 -8.721 185 HG1 THR 24 HG1 THR 24 -4.580 7.437 -8.492 186 HG21 THR 24 HG21 THR 24 -7.358 8.378 -9.159 187 HG22 THR 24 HG22 THR 24 -6.506 8.789 -7.669 188 HG23 THR 24 HG23 THR 24 -8.048 7.931 -7.596 189 HA PRO 25 HA PRO 25 -5.547 1.869 -6.202 190 HB2 PRO 25 HB2 PRO 25 -7.247 1.369 -8.662 191 HB3 PRO 25 HB1 PRO 25 -7.160 0.451 -7.147 192 HG2 PRO 25 HG2 PRO 25 -9.205 2.096 -7.548 193 HG3 PRO 25 HG1 PRO 25 -8.418 2.045 -5.954 194 HD2 PRO 25 HD2 PRO 25 -8.139 4.108 -8.138 195 HD3 PRO 25 HD1 PRO 25 -8.242 4.332 -6.378 196 H GLU 26 HN GLU 26 -5.596 3.306 -9.476 197 HA GLU 26 HA GLU 26 -3.500 1.425 -10.390 198 HB2 GLU 26 HB2 GLU 26 -4.029 2.123 -12.694 199 HB3 GLU 26 HB1 GLU 26 -5.448 1.494 -11.875 200 HG2 GLU 26 HG2 GLU 26 -4.938 4.470 -12.068 201 HG3 GLU 26 HG1 GLU 26 -5.694 3.586 -13.393 202 H SER 27 HN SER 27 -3.400 4.075 -8.735 203 HA SER 27 HA SER 27 -1.694 5.849 -10.211 204 HB2 SER 27 HB2 SER 27 -2.988 6.772 -8.365 205 HB3 SER 27 HB1 SER 27 -2.290 5.628 -7.221 206 HG SER 27 HG SER 27 -1.298 7.986 -8.199 207 H HIS 28 HN HIS 28 0.452 5.615 -10.526 208 HA HIS 28 HA HIS 28 2.015 3.627 -9.092 209 HB2 HIS 28 HB2 HIS 28 2.316 4.286 -11.595 210 HB3 HIS 28 HB1 HIS 28 3.127 5.736 -10.998 211 HD2 HIS 28 HD2 HIS 28 3.853 2.117 -11.780 212 HE1 HIS 28 HE1 HIS 28 7.111 3.500 -9.474 213 HE2 HIS 28 HE2 HIS 28 6.333 1.773 -11.143 214 H ALA 29 HN ALA 29 2.779 4.139 -7.066 215 HA ALA 29 HA ALA 29 2.611 6.501 -5.726 216 HB1 ALA 29 HB1 ALA 29 4.699 4.343 -5.321 217 HB2 ALA 29 HB2 ALA 29 3.049 4.316 -4.698 218 HB3 ALA 29 HB3 ALA 29 4.187 5.533 -4.115 219 H ILE 30 HN ILE 30 5.194 5.610 -7.971 220 HA ILE 30 HA ILE 30 6.948 7.767 -6.991 221 HB ILE 30 HB ILE 30 7.461 5.638 -9.113 222 HG12 ILE 30 HG12 ILE 30 8.426 5.798 -6.217 223 HG13 ILE 30 HG11 ILE 30 7.256 4.646 -6.852 224 HG21 ILE 30 HG21 ILE 30 9.827 6.330 -8.999 225 HG22 ILE 30 HG22 ILE 30 9.398 7.627 -7.884 226 HG23 ILE 30 HG23 ILE 30 8.796 7.653 -9.543 227 HD11 ILE 30 HD11 ILE 30 10.186 4.794 -7.581 228 HD12 ILE 30 HD12 ILE 30 9.014 3.660 -8.260 229 HD13 ILE 30 HD13 ILE 30 9.407 3.597 -6.543 230 H ASP 31 HN ASP 31 5.456 6.637 -10.083 231 HA ASP 31 HA ASP 31 6.410 8.956 -11.542 232 HB2 ASP 31 HB2 ASP 31 4.588 6.675 -12.412 233 HB3 ASP 31 HB1 ASP 31 5.202 7.920 -13.495 234 H ASP 32 HN ASP 32 3.293 7.974 -10.190 235 HA ASP 32 HA ASP 32 1.833 10.037 -11.675 236 HB2 ASP 32 HB2 ASP 32 0.799 7.779 -11.455 237 HB3 ASP 32 HB1 ASP 32 0.808 7.939 -9.699 238 H LEU 33 HN LEU 33 2.135 9.046 -8.236 239 HA LEU 33 HA LEU 33 1.053 11.464 -7.161 240 HB2 LEU 33 HB2 LEU 33 2.735 9.308 -5.811 241 HB3 LEU 33 HB1 LEU 33 1.823 10.556 -4.967 242 HG LEU 33 HG LEU 33 0.645 8.308 -6.650 243 HD11 LEU 33 HD11 LEU 33 -0.208 7.429 -4.523 244 HD12 LEU 33 HD12 LEU 33 0.644 8.696 -3.637 245 HD13 LEU 33 HD13 LEU 33 1.552 7.487 -4.549 246 HD21 LEU 33 HD21 LEU 33 -0.787 10.491 -5.089 247 HD22 LEU 33 HD22 LEU 33 -1.558 9.089 -5.840 248 HD23 LEU 33 HD23 LEU 33 -0.753 10.290 -6.845 249 H GLY 34 HN GLY 34 4.203 10.573 -8.247 250 HA2 GLY 34 HA2 GLY 34 6.258 11.579 -8.227 251 HA3 GLY 34 HA1 GLY 34 5.419 13.073 -7.828 252 H ILE 35 HN ILE 35 5.525 10.089 -5.872 253 HA ILE 35 HA ILE 35 6.508 11.470 -3.548 254 HB ILE 35 HB ILE 35 6.349 8.455 -4.032 255 HG12 ILE 35 HG12 ILE 35 4.376 10.222 -2.506 256 HG13 ILE 35 HG11 ILE 35 4.111 9.636 -4.145 257 HG21 ILE 35 HG21 ILE 35 6.672 9.979 -1.413 258 HG22 ILE 35 HG22 ILE 35 7.928 9.035 -2.216 259 HG23 ILE 35 HG23 ILE 35 6.498 8.228 -1.575 260 HD11 ILE 35 HD11 ILE 35 4.382 7.919 -1.670 261 HD12 ILE 35 HD12 ILE 35 4.133 7.320 -3.312 262 HD13 ILE 35 HD13 ILE 35 2.893 8.298 -2.533 263 H ASP 36 HN ASP 36 8.533 12.157 -3.446 264 HA ASP 36 HA ASP 36 10.788 11.398 -4.880 265 HB2 ASP 36 HB2 ASP 36 10.624 13.483 -3.534 266 HB3 ASP 36 HB1 ASP 36 10.672 12.540 -2.054 267 H SER 37 HN SER 37 12.545 10.024 -4.437 268 HA SER 37 HA SER 37 11.888 7.432 -3.679 269 HB2 SER 37 HB2 SER 37 14.380 7.015 -3.839 270 HB3 SER 37 HB1 SER 37 13.706 7.874 -5.224 271 HG SER 37 HG SER 37 15.627 8.660 -3.527 272 H LEU 38 HN LEU 38 13.633 9.937 -1.838 273 HA LEU 38 HA LEU 38 14.321 8.308 0.407 274 HB2 LEU 38 HB2 LEU 38 14.002 11.331 0.298 275 HB3 LEU 38 HB1 LEU 38 14.843 10.429 1.553 276 HG LEU 38 HG LEU 38 15.703 10.731 -1.352 277 HD11 LEU 38 HD11 LEU 38 17.595 11.999 -0.466 278 HD12 LEU 38 HD12 LEU 38 16.987 11.814 1.181 279 HD13 LEU 38 HD13 LEU 38 16.068 12.745 -0.006 280 HD21 LEU 38 HD21 LEU 38 16.286 8.485 -0.571 281 HD22 LEU 38 HD22 LEU 38 17.071 9.151 0.864 282 HD23 LEU 38 HD23 LEU 38 17.737 9.466 -0.741 283 H ASP 39 HN ASP 39 11.676 10.584 -0.293 284 HA ASP 39 HA ASP 39 10.313 10.394 2.193 285 HB2 ASP 39 HB2 ASP 39 9.405 11.254 -0.583 286 HB3 ASP 39 HB1 ASP 39 8.310 11.273 0.799 287 H PHE 40 HN PHE 40 10.290 8.294 -0.634 288 HA PHE 40 HA PHE 40 7.889 6.879 0.077 289 HB2 PHE 40 HB2 PHE 40 8.857 6.925 -2.280 290 HB3 PHE 40 HB1 PHE 40 10.139 5.851 -1.718 291 HD1 PHE 40 HD1 PHE 40 6.463 6.134 -2.214 292 HD2 PHE 40 HD2 PHE 40 9.725 3.472 -1.447 293 HE1 PHE 40 HE1 PHE 40 4.975 4.210 -2.528 294 HE2 PHE 40 HE2 PHE 40 8.224 1.554 -1.775 295 HZ PHE 40 HZ PHE 40 5.846 1.918 -2.313 296 H LEU 41 HN LEU 41 11.352 6.501 0.745 297 HA LEU 41 HA LEU 41 11.304 3.999 2.075 298 HB2 LEU 41 HB2 LEU 41 13.105 6.393 2.611 299 HB3 LEU 41 HB1 LEU 41 13.426 4.748 3.144 300 HG LEU 41 HG LEU 41 13.341 5.692 0.248 301 HD11 LEU 41 HD11 LEU 41 15.760 5.330 0.224 302 HD12 LEU 41 HD12 LEU 41 15.734 4.924 1.942 303 HD13 LEU 41 HD13 LEU 41 15.303 6.552 1.409 304 HD21 LEU 41 HD21 LEU 41 14.164 3.446 -0.340 305 HD22 LEU 41 HD22 LEU 41 12.579 3.372 0.427 306 HD23 LEU 41 HD23 LEU 41 14.024 2.944 1.350 307 H ASP 42 HN ASP 42 10.742 7.312 3.206 308 HA ASP 42 HA ASP 42 10.272 6.832 5.970 309 HB2 ASP 42 HB2 ASP 42 9.313 9.032 4.090 310 HB3 ASP 42 HB1 ASP 42 8.885 9.023 5.797 311 H ILE 43 HN ILE 43 8.074 6.938 3.166 312 HA ILE 43 HA ILE 43 5.655 6.504 4.594 313 HB ILE 43 HB ILE 43 6.374 6.130 1.664 314 HG12 ILE 43 HG12 ILE 43 4.692 8.237 3.089 315 HG13 ILE 43 HG11 ILE 43 6.333 8.465 2.507 316 HG21 ILE 43 HG21 ILE 43 3.964 5.900 1.148 317 HG22 ILE 43 HG22 ILE 43 3.604 5.818 2.876 318 HG23 ILE 43 HG23 ILE 43 4.566 4.550 2.110 319 HD11 ILE 43 HD11 ILE 43 4.752 9.514 1.029 320 HD12 ILE 43 HD12 ILE 43 3.886 7.995 0.817 321 HD13 ILE 43 HD13 ILE 43 5.529 8.167 0.195 322 H ALA 44 HN ALA 44 7.984 4.260 3.109 323 HA ALA 44 HA ALA 44 6.284 1.944 3.223 324 HB1 ALA 44 HB1 ALA 44 8.316 0.700 2.545 325 HB2 ALA 44 HB2 ALA 44 9.297 2.147 2.809 326 HB3 ALA 44 HB3 ALA 44 8.077 2.128 1.534 327 H PHE 45 HN PHE 45 8.961 3.258 5.133 328 HA PHE 45 HA PHE 45 9.188 1.435 7.224 329 HB2 PHE 45 HB2 PHE 45 10.731 3.303 6.965 330 HB3 PHE 45 HB1 PHE 45 9.444 4.478 7.187 331 HD1 PHE 45 HD1 PHE 45 11.278 1.744 9.012 332 HD2 PHE 45 HD2 PHE 45 9.121 5.421 9.338 333 HE1 PHE 45 HE1 PHE 45 11.847 1.875 11.397 334 HE2 PHE 45 HE2 PHE 45 9.705 5.543 11.723 335 HZ PHE 45 HZ PHE 45 11.067 3.772 12.760 336 H ALA 46 HN ALA 46 6.881 4.091 6.823 337 HA ALA 46 HA ALA 46 5.558 3.773 9.353 338 HB1 ALA 46 HB1 ALA 46 3.908 5.359 8.443 339 HB2 ALA 46 HB2 ALA 46 4.616 5.183 6.833 340 HB3 ALA 46 HB3 ALA 46 5.559 5.913 8.134 341 H ILE 47 HN ILE 47 5.066 2.426 6.115 342 HA ILE 47 HA ILE 47 2.512 1.225 6.553 343 HB ILE 47 HB ILE 47 4.747 0.593 4.580 344 HG12 ILE 47 HG12 ILE 47 2.015 1.859 4.132 345 HG13 ILE 47 HG11 ILE 47 3.520 2.755 4.271 346 HG21 ILE 47 HG21 ILE 47 3.549 -1.506 4.935 347 HG22 ILE 47 HG22 ILE 47 3.176 -0.858 3.340 348 HG23 ILE 47 HG23 ILE 47 2.003 -0.700 4.646 349 HD11 ILE 47 HD11 ILE 47 4.339 1.698 2.210 350 HD12 ILE 47 HD12 ILE 47 2.814 2.545 1.955 351 HD13 ILE 47 HD13 ILE 47 2.830 0.787 2.078 352 H ASP 48 HN ASP 48 5.848 0.022 6.859 353 HA ASP 48 HA ASP 48 5.386 -2.654 7.503 354 HB2 ASP 48 HB2 ASP 48 7.659 -0.900 8.536 355 HB3 ASP 48 HB1 ASP 48 7.653 -2.660 8.516 356 H LYS 49 HN LYS 49 5.702 0.163 9.616 357 HA LYS 49 HA LYS 49 5.391 -1.200 12.100 358 HB2 LYS 49 HB2 LYS 49 4.975 1.735 11.408 359 HB3 LYS 49 HB1 LYS 49 5.057 1.096 13.050 360 HG2 LYS 49 HG2 LYS 49 7.387 0.361 12.629 361 HG3 LYS 49 HG1 LYS 49 7.290 1.014 10.994 362 HD2 LYS 49 HD2 LYS 49 8.445 2.655 12.251 363 HD3 LYS 49 HD1 LYS 49 6.814 3.287 12.059 364 HE2 LYS 49 HE2 LYS 49 7.807 1.866 14.565 365 HE3 LYS 49 HE1 LYS 49 7.811 3.614 14.359 366 HZ1 LYS 49 HZ1 LYS 49 5.367 3.466 14.054 367 HZ2 LYS 49 HZ2 LYS 49 5.899 3.016 15.591 368 HZ3 LYS 49 HZ3 LYS 49 5.442 1.830 14.478 369 H ALA 50 HN ALA 50 3.083 0.635 10.042 370 HA ALA 50 HA ALA 50 0.872 0.587 11.783 371 HB1 ALA 50 HB1 ALA 50 0.842 0.743 8.744 372 HB2 ALA 50 HB2 ALA 50 1.040 2.108 9.847 373 HB3 ALA 50 HB3 ALA 50 -0.479 1.209 9.820 374 H PHE 51 HN PHE 51 1.777 -1.647 9.182 375 HA PHE 51 HA PHE 51 -0.512 -3.406 9.696 376 HB2 PHE 51 HB2 PHE 51 1.660 -3.477 7.570 377 HB3 PHE 51 HB1 PHE 51 0.377 -4.675 7.695 378 HD1 PHE 51 HD1 PHE 51 -2.007 -4.013 7.309 379 HD2 PHE 51 HD2 PHE 51 1.215 -1.300 6.572 380 HE1 PHE 51 HE1 PHE 51 -3.482 -2.617 5.921 381 HE2 PHE 51 HE2 PHE 51 -0.267 0.087 5.195 382 HZ PHE 51 HZ PHE 51 -2.609 -0.571 4.866 383 H GLY 52 HN GLY 52 2.685 -3.154 10.835 384 HA2 GLY 52 HA2 GLY 52 3.919 -4.504 12.227 385 HA3 GLY 52 HA1 GLY 52 2.529 -5.572 12.341 386 H ILE 53 HN ILE 53 4.121 -4.706 9.364 387 HA ILE 53 HA ILE 53 5.166 -7.456 8.982 388 HB ILE 53 HB ILE 53 4.757 -7.171 6.543 389 HG12 ILE 53 HG12 ILE 53 3.214 -4.628 7.263 390 HG13 ILE 53 HG11 ILE 53 4.817 -4.629 6.537 391 HG21 ILE 53 HG21 ILE 53 2.235 -6.828 8.203 392 HG22 ILE 53 HG22 ILE 53 3.072 -8.346 7.871 393 HG23 ILE 53 HG23 ILE 53 2.305 -7.462 6.552 394 HD11 ILE 53 HD11 ILE 53 2.290 -5.707 5.298 395 HD12 ILE 53 HD12 ILE 53 3.893 -5.769 4.558 396 HD13 ILE 53 HD13 ILE 53 3.126 -4.214 4.879 397 H LYS 54 HN LYS 54 6.805 -7.354 7.025 398 HA LYS 54 HA LYS 54 8.234 -4.785 6.820 399 HB2 LYS 54 HB2 LYS 54 9.596 -6.275 8.296 400 HB3 LYS 54 HB1 LYS 54 9.606 -7.507 7.040 401 HG2 LYS 54 HG2 LYS 54 10.840 -5.941 5.539 402 HG3 LYS 54 HG1 LYS 54 10.848 -4.742 6.834 403 HD2 LYS 54 HD2 LYS 54 13.001 -5.873 6.745 404 HD3 LYS 54 HD1 LYS 54 12.180 -6.298 8.248 405 HE2 LYS 54 HE2 LYS 54 11.540 -8.470 7.312 406 HE3 LYS 54 HE1 LYS 54 12.242 -8.033 5.752 407 HZ1 LYS 54 HZ1 LYS 54 13.721 -9.433 6.996 408 HZ2 LYS 54 HZ2 LYS 54 13.715 -8.358 8.302 409 HZ3 LYS 54 HZ3 LYS 54 14.403 -7.895 6.830 410 H LEU 55 HN LEU 55 7.565 -4.246 4.816 411 HA LEU 55 HA LEU 55 7.345 -5.876 2.552 412 HB2 LEU 55 HB2 LEU 55 8.157 -2.942 2.671 413 HB3 LEU 55 HB1 LEU 55 7.601 -3.785 1.234 414 HG LEU 55 HG LEU 55 5.927 -3.199 3.715 415 HD11 LEU 55 HD11 LEU 55 5.820 -1.939 0.948 416 HD12 LEU 55 HD12 LEU 55 6.360 -1.163 2.441 417 HD13 LEU 55 HD13 LEU 55 4.676 -1.645 2.261 418 HD21 LEU 55 HD21 LEU 55 5.030 -4.463 1.107 419 HD22 LEU 55 HD22 LEU 55 4.040 -4.124 2.523 420 HD23 LEU 55 HD23 LEU 55 5.301 -5.336 2.615 421 HA PRO 56 HA PRO 56 11.820 -6.549 1.791 422 HB2 PRO 56 HB2 PRO 56 10.893 -7.879 -0.706 423 HB3 PRO 56 HB1 PRO 56 11.819 -8.551 0.641 424 HG2 PRO 56 HG2 PRO 56 9.248 -9.250 0.217 425 HG3 PRO 56 HG1 PRO 56 9.914 -9.098 1.860 426 HD2 PRO 56 HD2 PRO 56 8.228 -7.120 0.308 427 HD3 PRO 56 HD1 PRO 56 8.069 -7.656 1.998 428 H LEU 57 HN LEU 57 11.258 -4.046 1.421 429 HA LEU 57 HA LEU 57 10.787 -2.961 -1.126 430 HB2 LEU 57 HB2 LEU 57 10.551 -1.869 1.205 431 HB3 LEU 57 HB1 LEU 57 12.281 -1.627 1.185 432 HG LEU 57 HG LEU 57 10.921 0.418 0.658 433 HD11 LEU 57 HD11 LEU 57 13.241 0.331 -0.061 434 HD12 LEU 57 HD12 LEU 57 12.250 1.278 -1.164 435 HD13 LEU 57 HD13 LEU 57 12.753 -0.355 -1.614 436 HD21 LEU 57 HD21 LEU 57 10.179 -1.027 -1.896 437 HD22 LEU 57 HD22 LEU 57 9.828 0.661 -1.508 438 HD23 LEU 57 HD23 LEU 57 9.101 -0.624 -0.552 439 H GLU 58 HN GLU 58 13.741 -3.683 0.664 440 HA GLU 58 HA GLU 58 15.709 -2.683 -1.061 441 HB2 GLU 58 HB2 GLU 58 17.214 -4.408 0.047 442 HB3 GLU 58 HB1 GLU 58 16.311 -3.396 1.170 443 HG2 GLU 58 HG2 GLU 58 14.668 -5.221 1.486 444 HG3 GLU 58 HG1 GLU 58 15.593 -6.238 0.384 445 H LYS 59 HN LYS 59 14.133 -5.889 -1.026 446 HA LYS 59 HA LYS 59 15.615 -7.028 -3.174 447 HB2 LYS 59 HB2 LYS 59 14.429 -8.420 -1.493 448 HB3 LYS 59 HB1 LYS 59 12.881 -7.825 -2.077 449 HG2 LYS 59 HG2 LYS 59 13.329 -8.884 -4.294 450 HG3 LYS 59 HG1 LYS 59 14.855 -9.509 -3.664 451 HD2 LYS 59 HD2 LYS 59 13.202 -11.284 -3.587 452 HD3 LYS 59 HD1 LYS 59 13.580 -10.794 -1.935 453 HE2 LYS 59 HE2 LYS 59 11.175 -11.134 -2.164 454 HE3 LYS 59 HE1 LYS 59 11.498 -9.423 -1.896 455 HZ1 LYS 59 HZ1 LYS 59 9.855 -9.782 -3.628 456 HZ2 LYS 59 HZ2 LYS 59 10.966 -10.678 -4.532 457 HZ3 LYS 59 HZ3 LYS 59 11.238 -9.033 -4.248 458 H TRP 60 HN TRP 60 12.493 -5.410 -2.934 459 HA TRP 60 HA TRP 60 11.474 -5.896 -5.504 460 HB2 TRP 60 HB2 TRP 60 10.928 -3.654 -3.514 461 HB3 TRP 60 HB1 TRP 60 10.016 -3.853 -5.009 462 HD1 TRP 60 HD1 TRP 60 10.411 -7.291 -4.079 463 HE1 TRP 60 HE1 TRP 60 8.428 -8.130 -2.692 464 HE3 TRP 60 HE3 TRP 60 8.418 -2.794 -2.681 465 HZ2 TRP 60 HZ2 TRP 60 6.305 -7.069 -1.216 466 HZ3 TRP 60 HZ3 TRP 60 6.400 -2.800 -1.276 467 HH2 TRP 60 HH2 TRP 60 5.366 -4.897 -0.568 468 H THR 61 HN THR 61 13.255 -3.115 -4.202 469 HA THR 61 HA THR 61 13.355 -1.558 -6.564 470 HB THR 61 HB THR 61 15.302 -1.521 -4.206 471 HG1 THR 61 HG1 THR 61 13.538 -0.890 -3.206 472 HG21 THR 61 HG21 THR 61 16.167 -0.236 -6.145 473 HG22 THR 61 HG22 THR 61 15.710 0.841 -4.824 474 HG23 THR 61 HG23 THR 61 14.651 0.667 -6.225 475 H GLN 62 HN GLN 62 15.424 -4.154 -5.291 476 HA GLN 62 HA GLN 62 17.586 -3.804 -7.138 477 HB2 GLN 62 HB2 GLN 62 17.884 -4.903 -4.938 478 HB3 GLN 62 HB1 GLN 62 16.808 -6.209 -5.431 479 HG2 GLN 62 HG2 GLN 62 18.409 -6.927 -7.143 480 HG3 GLN 62 HG1 GLN 62 19.456 -5.558 -6.773 481 HE21 GLN 62 HE21 GLN 62 20.001 -8.454 -6.682 482 HE22 GLN 62 HE22 GLN 62 20.577 -8.761 -5.084 483 H GLU 63 HN GLU 63 14.674 -5.866 -7.058 484 HA GLU 63 HA GLU 63 15.132 -7.411 -9.368 485 HB2 GLU 63 HB2 GLU 63 12.519 -6.564 -8.043 486 HB3 GLU 63 HB1 GLU 63 12.604 -7.737 -9.362 487 HG2 GLU 63 HG2 GLU 63 13.910 -9.246 -7.996 488 HG3 GLU 63 HG1 GLU 63 14.021 -8.056 -6.703 489 H VAL 64 HN VAL 64 13.610 -4.258 -8.915 490 HA VAL 64 HA VAL 64 12.855 -3.791 -11.613 491 HB VAL 64 HB VAL 64 13.572 -1.776 -9.439 492 HG11 VAL 64 HG11 VAL 64 12.085 -1.326 -12.055 493 HG12 VAL 64 HG12 VAL 64 13.683 -0.704 -11.638 494 HG13 VAL 64 HG13 VAL 64 12.262 -0.130 -10.765 495 HG21 VAL 64 HG21 VAL 64 11.705 -3.256 -8.794 496 HG22 VAL 64 HG22 VAL 64 10.844 -2.839 -10.274 497 HG23 VAL 64 HG23 VAL 64 11.138 -1.604 -9.045 498 H ASN 65 HN ASN 65 15.820 -2.998 -9.765 499 HA ASN 65 HA ASN 65 17.297 -1.671 -11.735 500 HB2 ASN 65 HB2 ASN 65 18.302 -3.391 -9.425 501 HB3 ASN 65 HB1 ASN 65 19.348 -2.368 -10.409 502 HD21 ASN 65 HD21 ASN 65 18.756 -2.276 -7.530 503 HD22 ASN 65 HD22 ASN 65 18.143 -0.691 -7.216 504 H ASP 66 HN ASP 66 17.221 -5.194 -11.032 505 HA ASP 66 HA ASP 66 19.181 -5.841 -13.062 506 HB2 ASP 66 HB2 ASP 66 17.433 -7.606 -11.303 507 HB3 ASP 66 HB1 ASP 66 18.639 -8.231 -12.421 508 H GLY 67 HN GLY 67 16.055 -4.941 -13.447 509 HA2 GLY 67 HA2 GLY 67 14.386 -5.304 -14.943 510 HA3 GLY 67 HA1 GLY 67 15.598 -6.050 -15.968 511 H LYS 68 HN LYS 68 14.876 -7.354 -12.817 512 HA LYS 68 HA LYS 68 13.821 -9.854 -13.784 513 HB2 LYS 68 HB2 LYS 68 13.794 -8.673 -10.972 514 HB3 LYS 68 HB1 LYS 68 13.446 -10.353 -11.382 515 HG2 LYS 68 HG2 LYS 68 15.792 -10.636 -12.140 516 HG3 LYS 68 HG1 LYS 68 16.123 -8.949 -11.715 517 HD2 LYS 68 HD2 LYS 68 15.553 -9.462 -9.337 518 HD3 LYS 68 HD1 LYS 68 15.264 -11.147 -9.782 519 HE2 LYS 68 HE2 LYS 68 17.639 -11.360 -10.456 520 HE3 LYS 68 HE1 LYS 68 17.916 -9.677 -9.986 521 HZ1 LYS 68 HZ1 LYS 68 17.074 -11.888 -8.197 522 HZ2 LYS 68 HZ2 LYS 68 17.266 -10.278 -7.722 523 HZ3 LYS 68 HZ3 LYS 68 18.606 -11.166 -8.245 524 H ALA 69 HN ALA 69 12.538 -6.825 -12.552 525 HA ALA 69 HA ALA 69 9.806 -7.486 -13.365 526 HB1 ALA 69 HB1 ALA 69 8.843 -6.826 -11.186 527 HB2 ALA 69 HB2 ALA 69 10.466 -6.623 -10.516 528 HB3 ALA 69 HB3 ALA 69 9.907 -8.224 -11.001 529 H THR 70 HN THR 70 8.423 -5.581 -13.345 530 HA THR 70 HA THR 70 9.754 -3.064 -13.989 531 HB THR 70 HB THR 70 6.767 -3.778 -14.087 532 HG1 THR 70 HG1 THR 70 8.878 -4.198 -15.920 533 HG21 THR 70 HG21 THR 70 6.593 -1.937 -15.726 534 HG22 THR 70 HG22 THR 70 8.315 -1.597 -15.552 535 HG23 THR 70 HG23 THR 70 7.218 -1.329 -14.192 536 H THR 71 HN THR 71 9.141 -1.086 -12.989 537 HA THR 71 HA THR 71 9.156 -1.100 -10.195 538 HB THR 71 HB THR 71 8.153 1.358 -11.656 539 HG1 THR 71 HG1 THR 71 10.208 1.729 -12.535 540 HG21 THR 71 HG21 THR 71 10.381 0.916 -9.638 541 HG22 THR 71 HG22 THR 71 8.751 1.472 -9.250 542 HG23 THR 71 HG23 THR 71 9.816 2.483 -10.229 543 H GLU 72 HN GLU 72 6.532 -0.559 -12.517 544 HA GLU 72 HA GLU 72 4.280 -0.004 -11.131 545 HB2 GLU 72 HB2 GLU 72 4.521 -0.431 -13.595 546 HB3 GLU 72 HB1 GLU 72 4.549 -2.161 -13.295 547 HG2 GLU 72 HG2 GLU 72 2.205 -0.358 -12.636 548 HG3 GLU 72 HG1 GLU 72 2.382 -1.186 -14.173 549 H GLN 73 HN GLN 73 5.725 -3.211 -11.433 550 HA GLN 73 HA GLN 73 3.634 -4.713 -10.331 551 HB2 GLN 73 HB2 GLN 73 6.573 -5.433 -10.583 552 HB3 GLN 73 HB1 GLN 73 5.288 -6.581 -10.205 553 HG2 GLN 73 HG2 GLN 73 4.218 -5.950 -12.426 554 HG3 GLN 73 HG1 GLN 73 5.674 -5.021 -12.783 555 HE21 GLN 73 HE21 GLN 73 4.361 -8.239 -12.289 556 HE22 GLN 73 HE22 GLN 73 5.659 -9.102 -13.034 557 H TYR 74 HN TYR 74 6.112 -2.936 -8.595 558 HA TYR 74 HA TYR 74 4.972 -4.033 -6.075 559 HB2 TYR 74 HB2 TYR 74 7.758 -2.873 -6.491 560 HB3 TYR 74 HB1 TYR 74 7.142 -3.601 -5.013 561 HD1 TYR 74 HD2 TYR 74 6.162 -6.102 -5.387 562 HD2 TYR 74 HD1 TYR 74 9.167 -4.247 -7.810 563 HE1 TYR 74 HE2 TYR 74 6.938 -8.310 -6.120 564 HE2 TYR 74 HE1 TYR 74 9.937 -6.462 -8.539 565 HH TYR 74 HH TYR 74 9.884 -8.774 -7.744 566 H PHE 75 HN PHE 75 5.347 -1.105 -7.929 567 HA PHE 75 HA PHE 75 5.115 0.593 -5.508 568 HB2 PHE 75 HB2 PHE 75 6.599 1.179 -8.116 569 HB3 PHE 75 HB1 PHE 75 6.393 2.332 -6.806 570 HD1 PHE 75 HD2 PHE 75 8.154 -0.768 -7.836 571 HD2 PHE 75 HD1 PHE 75 7.747 2.180 -4.765 572 HE1 PHE 75 HE2 PHE 75 10.231 -1.569 -6.793 573 HE2 PHE 75 HE1 PHE 75 9.825 1.369 -3.733 574 HZ PHE 75 HZ PHE 75 11.070 -0.502 -4.738 575 H VAL 76 HN VAL 76 3.076 -0.565 -7.620 576 HA VAL 76 HA VAL 76 1.570 1.977 -7.973 577 HB VAL 76 HB VAL 76 1.066 -0.848 -9.011 578 HG11 VAL 76 HG11 VAL 76 -1.074 -0.088 -10.005 579 HG12 VAL 76 HG12 VAL 76 -0.928 1.445 -9.137 580 HG13 VAL 76 HG13 VAL 76 -1.130 -0.062 -8.239 581 HG21 VAL 76 HG21 VAL 76 1.029 0.261 -11.213 582 HG22 VAL 76 HG22 VAL 76 2.558 0.542 -10.368 583 HG23 VAL 76 HG23 VAL 76 1.336 1.818 -10.433 584 H LEU 77 HN LEU 77 -0.441 2.235 -6.886 585 HA LEU 77 HA LEU 77 -0.327 1.665 -4.176 586 HB2 LEU 77 HB2 LEU 77 -2.262 3.011 -6.002 587 HB3 LEU 77 HB1 LEU 77 -2.930 2.490 -4.469 588 HG LEU 77 HG LEU 77 -2.175 4.821 -4.397 589 HD11 LEU 77 HD11 LEU 77 -0.530 3.011 -2.600 590 HD12 LEU 77 HD12 LEU 77 -2.217 3.473 -2.356 591 HD13 LEU 77 HD13 LEU 77 -0.961 4.698 -2.302 592 HD21 LEU 77 HD21 LEU 77 0.197 5.420 -4.468 593 HD22 LEU 77 HD22 LEU 77 -0.321 4.717 -5.996 594 HD23 LEU 77 HD23 LEU 77 0.633 3.753 -4.864 595 H LYS 78 HN LYS 78 -2.706 0.305 -6.500 596 HA LYS 78 HA LYS 78 -4.073 -1.385 -4.675 597 HB2 LYS 78 HB2 LYS 78 -4.916 -2.562 -6.705 598 HB3 LYS 78 HB1 LYS 78 -4.986 -0.813 -6.900 599 HG2 LYS 78 HG2 LYS 78 -2.902 -0.864 -8.223 600 HG3 LYS 78 HG1 LYS 78 -2.826 -2.615 -8.051 601 HD2 LYS 78 HD2 LYS 78 -4.880 -2.860 -9.349 602 HD3 LYS 78 HD1 LYS 78 -5.059 -1.101 -9.443 603 HE2 LYS 78 HE2 LYS 78 -2.927 -0.956 -10.716 604 HE3 LYS 78 HE1 LYS 78 -2.757 -2.712 -10.615 605 HZ1 LYS 78 HZ1 LYS 78 -5.045 -1.340 -11.899 606 HZ2 LYS 78 HZ2 LYS 78 -4.702 -2.995 -11.915 607 HZ3 LYS 78 HZ3 LYS 78 -3.688 -1.916 -12.727 608 H ASN 79 HN ASN 79 -1.177 -1.790 -6.555 609 HA ASN 79 HA ASN 79 -0.979 -4.637 -6.425 610 HB2 ASN 79 HB2 ASN 79 -0.180 -3.064 -8.294 611 HB3 ASN 79 HB1 ASN 79 1.151 -2.605 -7.242 612 HD21 ASN 79 HD21 ASN 79 1.239 -3.846 -9.856 613 HD22 ASN 79 HD22 ASN 79 2.068 -5.351 -9.654 614 H LEU 80 HN LEU 80 0.783 -1.947 -5.024 615 HA LEU 80 HA LEU 80 2.500 -3.183 -3.231 616 HB2 LEU 80 HB2 LEU 80 2.658 -0.792 -3.836 617 HB3 LEU 80 HB1 LEU 80 1.109 -0.473 -3.082 618 HG LEU 80 HG LEU 80 2.087 -0.954 -0.848 619 HD11 LEU 80 HD11 LEU 80 4.720 -1.315 -2.299 620 HD12 LEU 80 HD12 LEU 80 3.805 -2.560 -1.444 621 HD13 LEU 80 HD13 LEU 80 4.506 -1.216 -0.548 622 HD21 LEU 80 HD21 LEU 80 3.455 1.071 -0.636 623 HD22 LEU 80 HD22 LEU 80 2.043 1.363 -1.650 624 HD23 LEU 80 HD23 LEU 80 3.633 1.157 -2.392 625 H ALA 81 HN ALA 81 -0.819 -1.975 -2.809 626 HA ALA 81 HA ALA 81 -1.210 -2.648 -0.097 627 HB1 ALA 81 HB1 ALA 81 -2.675 -1.076 -1.318 628 HB2 ALA 81 HB2 ALA 81 -3.612 -2.358 -0.549 629 HB3 ALA 81 HB3 ALA 81 -3.307 -2.408 -2.287 630 H ALA 82 HN ALA 82 -1.590 -4.525 -3.073 631 HA ALA 82 HA ALA 82 -2.800 -6.833 -1.919 632 HB1 ALA 82 HB1 ALA 82 -2.133 -7.985 -3.997 633 HB2 ALA 82 HB2 ALA 82 -1.099 -6.619 -4.430 634 HB3 ALA 82 HB3 ALA 82 -2.849 -6.407 -4.347 635 H ARG 83 HN ARG 83 0.601 -5.986 -2.665 636 HA ARG 83 HA ARG 83 1.907 -8.287 -1.769 637 HB2 ARG 83 HB2 ARG 83 2.939 -5.422 -1.509 638 HB3 ARG 83 HB1 ARG 83 3.922 -6.879 -1.456 639 HG2 ARG 83 HG2 ARG 83 2.398 -5.884 -3.888 640 HG3 ARG 83 HG1 ARG 83 4.115 -5.639 -3.588 641 HD2 ARG 83 HD2 ARG 83 3.910 -7.441 -5.149 642 HD3 ARG 83 HD1 ARG 83 4.394 -8.143 -3.610 643 HE ARG 83 HE ARG 83 2.315 -9.156 -3.404 644 HH11 ARG 83 HH11 ARG 83 2.378 -7.252 -6.369 645 HH12 ARG 83 HH12 ARG 83 0.940 -7.985 -6.988 646 HH21 ARG 83 HH21 ARG 83 0.415 -10.062 -4.258 647 HH22 ARG 83 HH22 ARG 83 -0.142 -9.568 -5.822 648 H ILE 84 HN ILE 84 0.989 -5.392 -0.004 649 HA ILE 84 HA ILE 84 2.032 -5.954 2.554 650 HB ILE 84 HB ILE 84 -0.316 -4.226 1.647 651 HG12 ILE 84 HG12 ILE 84 2.465 -3.326 2.490 652 HG13 ILE 84 HG11 ILE 84 2.040 -3.657 0.820 653 HG21 ILE 84 HG21 ILE 84 -0.202 -3.062 3.824 654 HG22 ILE 84 HG22 ILE 84 0.993 -4.230 4.386 655 HG23 ILE 84 HG23 ILE 84 -0.646 -4.759 4.008 656 HD11 ILE 84 HD11 ILE 84 0.803 -1.545 2.566 657 HD12 ILE 84 HD12 ILE 84 0.420 -1.853 0.868 658 HD13 ILE 84 HD13 ILE 84 2.030 -1.295 1.326 659 H ASP 85 HN ASP 85 -1.189 -6.439 1.139 660 HA ASP 85 HA ASP 85 -2.566 -7.425 3.378 661 HB2 ASP 85 HB2 ASP 85 -3.600 -6.560 1.262 662 HB3 ASP 85 HB1 ASP 85 -3.088 -8.021 0.427 663 H GLU 86 HN GLU 86 -0.698 -9.085 0.891 664 HA GLU 86 HA GLU 86 -1.277 -11.786 1.655 665 HB2 GLU 86 HB2 GLU 86 1.073 -10.625 0.098 666 HB3 GLU 86 HB1 GLU 86 0.739 -12.349 0.239 667 HG2 GLU 86 HG2 GLU 86 -1.321 -12.110 -0.989 668 HG3 GLU 86 HG1 GLU 86 -1.182 -10.355 -0.991 669 H LEU 87 HN LEU 87 1.367 -9.518 2.474 670 HA LEU 87 HA LEU 87 2.889 -11.332 4.067 671 HB2 LEU 87 HB2 LEU 87 2.808 -8.291 4.204 672 HB3 LEU 87 HB1 LEU 87 4.014 -9.301 4.990 673 HG LEU 87 HG LEU 87 3.627 -8.920 1.998 674 HD11 LEU 87 HD11 LEU 87 5.920 -8.118 3.803 675 HD12 LEU 87 HD12 LEU 87 4.724 -7.044 3.073 676 HD13 LEU 87 HD13 LEU 87 5.855 -7.918 2.047 677 HD21 LEU 87 HD21 LEU 87 5.573 -10.381 1.654 678 HD22 LEU 87 HD22 LEU 87 4.235 -11.251 2.394 679 HD23 LEU 87 HD23 LEU 87 5.610 -10.753 3.380 680 H VAL 88 HN VAL 88 0.211 -9.160 4.795 681 HA VAL 88 HA VAL 88 0.171 -9.491 7.634 682 HB VAL 88 HB VAL 88 -2.062 -8.632 5.722 683 HG11 VAL 88 HG11 VAL 88 -3.200 -7.682 7.722 684 HG12 VAL 88 HG12 VAL 88 -1.965 -8.399 8.758 685 HG13 VAL 88 HG13 VAL 88 -3.047 -9.436 7.830 686 HG21 VAL 88 HG21 VAL 88 -0.120 -7.091 5.702 687 HG22 VAL 88 HG22 VAL 88 -0.212 -6.933 7.455 688 HG23 VAL 88 HG23 VAL 88 -1.522 -6.317 6.445 689 H ALA 89 HN ALA 89 -1.394 -11.134 4.914 690 HA ALA 89 HA ALA 89 -3.011 -12.959 6.376 691 HB1 ALA 89 HB1 ALA 89 -3.409 -12.448 3.992 692 HB2 ALA 89 HB2 ALA 89 -3.222 -14.184 4.244 693 HB3 ALA 89 HB3 ALA 89 -1.893 -13.241 3.558 694 H ALA 90 HN ALA 90 0.273 -13.170 5.087 695 HA ALA 90 HA ALA 90 0.766 -15.909 5.585 696 HB1 ALA 90 HB1 ALA 90 2.048 -14.589 3.938 697 HB2 ALA 90 HB2 ALA 90 3.120 -15.354 5.109 698 HB3 ALA 90 HB3 ALA 90 2.756 -13.632 5.243 699 H LYS 91 HN LYS 91 1.244 -12.981 7.547 700 HA LYS 91 HA LYS 91 2.800 -14.387 9.590 701 HB2 LYS 91 HB2 LYS 91 3.049 -12.267 10.692 702 HB3 LYS 91 HB1 LYS 91 3.255 -11.981 8.966 703 HG2 LYS 91 HG2 LYS 91 1.017 -11.030 8.807 704 HG3 LYS 91 HG1 LYS 91 0.682 -11.439 10.492 705 HD2 LYS 91 HD2 LYS 91 2.536 -9.896 11.175 706 HD3 LYS 91 HD1 LYS 91 2.723 -9.419 9.481 707 HE2 LYS 91 HE2 LYS 91 1.366 -7.787 10.720 708 HE3 LYS 91 HE1 LYS 91 0.401 -8.575 9.471 709 HZ1 LYS 91 HZ1 LYS 91 -0.545 -10.013 11.162 710 HZ2 LYS 91 HZ2 LYS 91 -0.803 -8.391 11.561 711 HZ3 LYS 91 HZ3 LYS 91 0.394 -9.283 12.356 712 H GLY 92 HN GLY 92 -0.521 -13.432 9.017 713 HA2 GLY 92 HA2 GLY 92 -1.323 -13.666 11.837 714 HA3 GLY 92 HA1 GLY 92 -2.301 -13.079 10.504 715 H ALA 93 HN ALA 93 -1.462 -15.435 8.864 716 HA ALA 93 HA ALA 93 -2.254 -17.409 8.174 717 HB1 ALA 93 HB1 ALA 93 -1.296 -18.359 10.224 718 HB2 ALA 93 HB2 ALA 93 -2.788 -19.196 9.785 719 HB3 ALA 93 HB3 ALA 93 -2.787 -18.018 11.100 720 H LEU 94 HN LEU 94 -4.048 -17.523 7.009 721 HA LEU 94 HA LEU 94 -6.400 -16.062 7.534 722 HB2 LEU 94 HB2 LEU 94 -5.845 -18.288 5.534 723 HB3 LEU 94 HB1 LEU 94 -7.345 -17.369 5.558 724 HG LEU 94 HG LEU 94 -4.575 -16.189 5.052 725 HD11 LEU 94 HD11 LEU 94 -5.283 -17.602 3.190 726 HD12 LEU 94 HD12 LEU 94 -5.305 -15.906 2.720 727 HD13 LEU 94 HD13 LEU 94 -6.820 -16.740 3.078 728 HD21 LEU 94 HD21 LEU 94 -5.775 -14.112 4.456 729 HD22 LEU 94 HD22 LEU 94 -6.054 -14.559 6.136 730 HD23 LEU 94 HD23 LEU 94 -7.310 -14.852 4.930 731 H GLU 95 HN GLU 95 -7.364 -16.574 9.445 732 HA GLU 95 HA GLU 95 -8.195 -19.164 10.307 733 HB2 GLU 95 HB2 GLU 95 -9.273 -16.397 11.030 734 HB3 GLU 95 HB1 GLU 95 -9.642 -17.888 11.901 735 HG2 GLU 95 HG2 GLU 95 -7.269 -18.140 12.496 736 HG3 GLU 95 HG1 GLU 95 -6.879 -16.670 11.606 737 H HIS 96 HN HIS 96 -9.499 -16.753 8.193 738 HA HIS 96 HA HIS 96 -11.537 -18.657 7.226 739 HB2 HIS 96 HB2 HIS 96 -12.609 -16.716 8.437 740 HB3 HIS 96 HB1 HIS 96 -11.809 -15.604 7.341 741 HD1 HIS 96 HD1 HIS 96 -14.820 -17.660 7.714 742 HD2 HIS 96 HD2 HIS 96 -12.837 -15.760 4.597 743 HE1 HIS 96 HE1 HIS 96 -16.493 -17.512 5.848 744 HE2 HIS 96 HE2 HIS 96 -15.328 -16.182 4.057 745 H HIS 97 HN HIS 97 -10.367 -19.418 5.489 746 HA HIS 97 HA HIS 97 -8.757 -17.634 3.825 747 HB2 HIS 97 HB2 HIS 97 -8.086 -19.718 2.637 748 HB3 HIS 97 HB1 HIS 97 -7.813 -19.823 4.366 749 HD1 HIS 97 HD1 HIS 97 -9.219 -21.558 5.685 750 HD2 HIS 97 HD2 HIS 97 -9.945 -21.563 1.599 751 HE1 HIS 97 HE1 HIS 97 -10.460 -23.690 5.227 752 HE2 HIS 97 HE2 HIS 97 -10.632 -23.785 2.724 753 H HIS 98 HN HIS 98 -9.580 -19.475 1.394 754 HA HIS 98 HA HIS 98 -11.083 -19.679 -0.242 755 HB2 HIS 98 HB2 HIS 98 -12.879 -20.021 1.443 756 HB3 HIS 98 HB1 HIS 98 -13.095 -18.283 1.600 757 HD1 HIS 98 HD1 HIS 98 -14.539 -17.126 -0.157 758 HD2 HIS 98 HD2 HIS 98 -13.914 -21.153 -0.967 759 HE1 HIS 98 HE1 HIS 98 -16.217 -17.725 -1.914 760 HE2 HIS 98 HE2 HIS 98 -15.695 -20.106 -2.522 761 H HIS 99 HN HIS 99 -12.461 -16.551 0.794 762 HA HIS 99 HA HIS 99 -12.316 -14.445 0.016 763 HB2 HIS 99 HB2 HIS 99 -10.024 -14.722 0.960 764 HB3 HIS 99 HB1 HIS 99 -9.431 -15.208 -0.620 765 HD1 HIS 99 HD1 HIS 99 -10.672 -12.185 1.278 766 HD2 HIS 99 HD2 HIS 99 -8.753 -13.084 -2.301 767 HE1 HIS 99 HE1 HIS 99 -9.908 -9.976 0.342 768 HE2 HIS 99 HE2 HIS 99 -8.816 -10.537 -1.857 769 H HIS 100 HN HIS 100 -12.472 -16.858 -2.139 770 HA HIS 100 HA HIS 100 -12.886 -15.283 -4.488 771 HB2 HIS 100 HB2 HIS 100 -11.109 -16.268 -5.911 772 HB3 HIS 100 HB1 HIS 100 -10.394 -15.384 -4.574 773 HD1 HIS 100 HD1 HIS 100 -8.622 -16.574 -3.334 774 HD2 HIS 100 HD2 HIS 100 -11.067 -19.229 -5.389 775 HE1 HIS 100 HE1 HIS 100 -7.557 -18.831 -3.049 776 HE2 HIS 100 HE2 HIS 100 -9.099 -20.425 -4.239 777 H HIS 101 HN HIS 101 -13.486 -16.691 -6.354 778 HA HIS 101 HA HIS 101 -15.008 -19.039 -5.487 779 HB2 HIS 101 HB2 HIS 101 -14.879 -17.667 -8.217 780 HB3 HIS 101 HB1 HIS 101 -16.015 -18.928 -7.750 781 HD1 HIS 101 HD1 HIS 101 -17.935 -18.261 -6.108 782 HD2 HIS 101 HD2 HIS 101 -15.535 -15.099 -7.334 783 HE1 HIS 101 HE1 HIS 101 -19.152 -16.177 -5.400 784 HE2 HIS 101 HE2 HIS 101 -17.737 -14.272 -6.261 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -14.364 -2.559 5.064 2 H2 MET 1 HT2 MET 1 -14.625 -2.494 3.397 3 H3 MET 1 HT3 MET 1 -15.937 -2.515 4.462 4 HA MET 1 HA MET 1 -15.575 -0.325 3.563 5 HB2 MET 1 HB2 MET 1 -14.949 -0.590 6.539 6 HB3 MET 1 HB1 MET 1 -15.414 0.917 5.754 7 HG2 MET 1 HG2 MET 1 -17.589 -0.025 5.176 8 HG3 MET 1 HG1 MET 1 -17.133 -1.576 5.882 9 HE1 MET 1 HE1 MET 1 -16.396 2.097 7.333 10 HE2 MET 1 HE2 MET 1 -17.828 2.291 8.343 11 HE3 MET 1 HE3 MET 1 -17.990 2.197 6.591 12 H THR 2 HN THR 2 -12.980 -0.477 6.040 13 HA THR 2 HA THR 2 -11.208 1.014 4.262 14 HB THR 2 HB THR 2 -9.674 1.044 6.294 15 HG1 THR 2 HG1 THR 2 -10.641 0.404 8.289 16 HG21 THR 2 HG21 THR 2 -11.041 2.637 7.607 17 HG22 THR 2 HG22 THR 2 -12.489 2.098 6.760 18 HG23 THR 2 HG23 THR 2 -11.216 2.929 5.867 19 H SER 3 HN SER 3 -10.801 -0.494 2.682 20 HA SER 3 HA SER 3 -9.705 -3.099 3.095 21 HB2 SER 3 HB2 SER 3 -9.387 -1.369 0.597 22 HB3 SER 3 HB1 SER 3 -9.359 -3.134 0.698 23 HG SER 3 HG SER 3 -11.490 -1.384 0.621 24 H THR 4 HN THR 4 -7.427 -3.641 2.177 25 HA THR 4 HA THR 4 -5.449 -2.360 3.711 26 HB THR 4 HB THR 4 -5.005 -4.130 1.265 27 HG1 THR 4 HG1 THR 4 -5.490 -5.788 2.539 28 HG21 THR 4 HG21 THR 4 -2.926 -3.042 2.074 29 HG22 THR 4 HG22 THR 4 -2.910 -4.773 2.412 30 HG23 THR 4 HG23 THR 4 -3.248 -3.626 3.711 31 H PHE 5 HN PHE 5 -6.382 -1.940 0.300 32 HA PHE 5 HA PHE 5 -4.481 -0.073 -0.548 33 HB2 PHE 5 HB2 PHE 5 -5.933 -0.860 -2.265 34 HB3 PHE 5 HB1 PHE 5 -7.381 -0.528 -1.321 35 HD1 PHE 5 HD1 PHE 5 -4.491 1.312 -2.908 36 HD2 PHE 5 HD2 PHE 5 -8.648 1.399 -1.862 37 HE1 PHE 5 HE1 PHE 5 -4.718 3.529 -3.941 38 HE2 PHE 5 HE2 PHE 5 -8.858 3.618 -2.919 39 HZ PHE 5 HZ PHE 5 -6.893 4.683 -3.952 40 H ASP 6 HN ASP 6 -7.617 0.475 1.035 41 HA ASP 6 HA ASP 6 -7.606 3.277 1.119 42 HB2 ASP 6 HB2 ASP 6 -8.983 1.222 2.899 43 HB3 ASP 6 HB1 ASP 6 -9.279 2.956 3.049 44 H ARG 7 HN ARG 7 -6.400 0.904 3.450 45 HA ARG 7 HA ARG 7 -5.558 2.534 5.527 46 HB2 ARG 7 HB2 ARG 7 -4.154 0.028 4.495 47 HB3 ARG 7 HB1 ARG 7 -3.950 0.737 6.093 48 HG2 ARG 7 HG2 ARG 7 -6.480 -0.531 5.011 49 HG3 ARG 7 HG1 ARG 7 -5.351 -1.262 6.152 50 HD2 ARG 7 HD2 ARG 7 -5.862 0.690 7.718 51 HD3 ARG 7 HD1 ARG 7 -7.171 1.121 6.605 52 HE ARG 7 HE ARG 7 -7.988 -1.263 7.009 53 HH11 ARG 7 HH11 ARG 7 -6.316 0.580 9.485 54 HH12 ARG 7 HH12 ARG 7 -6.997 -0.333 10.791 55 HH21 ARG 7 HH21 ARG 7 -8.853 -2.480 8.734 56 HH22 ARG 7 HH22 ARG 7 -8.443 -2.057 10.370 57 H VAL 8 HN VAL 8 -3.784 1.540 2.592 58 HA VAL 8 HA VAL 8 -1.299 2.746 3.357 59 HB VAL 8 HB VAL 8 -2.219 1.620 0.667 60 HG11 VAL 8 HG11 VAL 8 0.180 1.450 0.088 61 HG12 VAL 8 HG12 VAL 8 0.612 2.250 1.601 62 HG13 VAL 8 HG13 VAL 8 -0.281 3.134 0.360 63 HG21 VAL 8 HG21 VAL 8 -1.003 -0.408 1.317 64 HG22 VAL 8 HG22 VAL 8 -2.252 -0.045 2.509 65 HG23 VAL 8 HG23 VAL 8 -0.563 0.324 2.866 66 H ALA 9 HN ALA 9 -3.980 3.638 1.213 67 HA ALA 9 HA ALA 9 -2.989 5.913 -0.030 68 HB1 ALA 9 HB1 ALA 9 -5.842 5.365 0.886 69 HB2 ALA 9 HB2 ALA 9 -5.136 4.857 -0.647 70 HB3 ALA 9 HB3 ALA 9 -5.359 6.575 -0.314 71 H THR 10 HN THR 10 -4.635 5.533 3.071 72 HA THR 10 HA THR 10 -4.512 8.189 3.965 73 HB THR 10 HB THR 10 -4.610 5.654 5.655 74 HG1 THR 10 HG1 THR 10 -6.483 5.457 4.698 75 HG21 THR 10 HG21 THR 10 -4.133 7.660 7.033 76 HG22 THR 10 HG22 THR 10 -5.768 7.071 7.333 77 HG23 THR 10 HG23 THR 10 -5.521 8.488 6.313 78 H ILE 11 HN ILE 11 -2.255 5.428 4.620 79 HA ILE 11 HA ILE 11 -0.454 6.691 6.322 80 HB ILE 11 HB ILE 11 0.132 4.518 4.252 81 HG12 ILE 11 HG12 ILE 11 -0.419 4.286 7.247 82 HG13 ILE 11 HG11 ILE 11 -1.591 3.933 5.989 83 HG21 ILE 11 HG21 ILE 11 2.158 3.969 5.597 84 HG22 ILE 11 HG22 ILE 11 1.856 5.382 6.610 85 HG23 ILE 11 HG23 ILE 11 2.252 5.590 4.903 86 HD11 ILE 11 HD11 ILE 11 0.971 2.426 6.506 87 HD12 ILE 11 HD12 ILE 11 -0.185 2.070 5.220 88 HD13 ILE 11 HD13 ILE 11 -0.663 1.903 6.911 89 H ILE 12 HN ILE 12 -0.188 6.382 2.775 90 HA ILE 12 HA ILE 12 2.166 7.800 2.357 91 HB ILE 12 HB ILE 12 -0.216 7.366 0.497 92 HG12 ILE 12 HG12 ILE 12 2.435 5.887 0.794 93 HG13 ILE 12 HG11 ILE 12 0.836 5.256 1.151 94 HG21 ILE 12 HG21 ILE 12 2.552 8.363 -0.257 95 HG22 ILE 12 HG22 ILE 12 1.058 9.298 -0.321 96 HG23 ILE 12 HG23 ILE 12 1.276 7.919 -1.393 97 HD11 ILE 12 HD11 ILE 12 1.947 5.920 -1.576 98 HD12 ILE 12 HD12 ILE 12 0.302 5.363 -1.262 99 HD13 ILE 12 HD13 ILE 12 1.671 4.318 -0.896 100 H ALA 13 HN ALA 13 -1.220 8.917 2.203 101 HA ALA 13 HA ALA 13 -0.950 11.587 1.655 102 HB1 ALA 13 HB1 ALA 13 -3.123 11.896 2.761 103 HB2 ALA 13 HB2 ALA 13 -2.947 10.330 3.561 104 HB3 ALA 13 HB3 ALA 13 -3.103 10.413 1.806 105 H GLU 14 HN GLU 14 -0.995 10.153 4.932 106 HA GLU 14 HA GLU 14 -0.663 12.563 6.366 107 HB2 GLU 14 HB2 GLU 14 -0.056 9.696 7.189 108 HB3 GLU 14 HB1 GLU 14 -0.139 11.060 8.299 109 HG2 GLU 14 HG2 GLU 14 -2.511 11.359 7.823 110 HG3 GLU 14 HG1 GLU 14 -2.455 10.074 6.610 111 H THR 15 HN THR 15 1.656 10.259 5.033 112 HA THR 15 HA THR 15 3.929 11.124 6.529 113 HB THR 15 HB THR 15 3.852 9.567 3.894 114 HG1 THR 15 HG1 THR 15 2.794 8.677 5.889 115 HG21 THR 15 HG21 THR 15 6.103 10.516 4.329 116 HG22 THR 15 HG22 THR 15 6.107 8.762 4.521 117 HG23 THR 15 HG23 THR 15 6.091 9.801 5.947 118 H CYS 16 HN CYS 16 2.922 11.651 3.093 119 HA CYS 16 HA CYS 16 5.120 13.547 2.703 120 HB2 CYS 16 HB2 CYS 16 3.269 12.059 0.801 121 HB3 CYS 16 HB1 CYS 16 4.525 13.178 0.278 122 HG CYS 16 HG CYS 16 6.265 11.357 2.096 123 H ASP 17 HN ASP 17 2.278 14.044 3.987 124 HA ASP 17 HA ASP 17 0.473 15.423 3.878 125 HB2 ASP 17 HB2 ASP 17 2.766 17.336 3.316 126 HB3 ASP 17 HB1 ASP 17 1.158 17.860 3.811 127 H ILE 18 HN ILE 18 -0.282 14.309 1.976 128 HA ILE 18 HA ILE 18 -0.778 16.084 -0.306 129 HB ILE 18 HB ILE 18 -0.567 14.059 -1.886 130 HG12 ILE 18 HG12 ILE 18 1.097 12.894 0.403 131 HG13 ILE 18 HG11 ILE 18 -0.490 12.305 -0.070 132 HG21 ILE 18 HG21 ILE 18 1.860 14.329 -2.229 133 HG22 ILE 18 HG22 ILE 18 2.016 15.085 -0.644 134 HG23 ILE 18 HG23 ILE 18 1.090 15.886 -1.918 135 HD11 ILE 18 HD11 ILE 18 2.001 12.267 -1.748 136 HD12 ILE 18 HD12 ILE 18 0.414 11.684 -2.260 137 HD13 ILE 18 HD13 ILE 18 1.259 10.900 -0.927 138 HA PRO 19 HA PRO 19 -4.936 14.947 0.590 139 HB2 PRO 19 HB2 PRO 19 -5.605 14.994 -2.328 140 HB3 PRO 19 HB1 PRO 19 -6.241 15.986 -1.010 141 HG2 PRO 19 HG2 PRO 19 -4.540 17.036 -2.790 142 HG3 PRO 19 HG1 PRO 19 -4.426 17.464 -1.067 143 HD2 PRO 19 HD2 PRO 19 -2.766 15.478 -2.632 144 HD3 PRO 19 HD1 PRO 19 -2.234 16.731 -1.484 145 H ARG 20 HN ARG 20 -5.570 12.987 1.227 146 HA ARG 20 HA ARG 20 -4.734 10.526 0.400 147 HB2 ARG 20 HB2 ARG 20 -5.819 11.197 2.570 148 HB3 ARG 20 HB1 ARG 20 -7.381 11.157 1.777 149 HG2 ARG 20 HG2 ARG 20 -5.604 8.703 1.966 150 HG3 ARG 20 HG1 ARG 20 -6.693 9.162 3.271 151 HD2 ARG 20 HD2 ARG 20 -8.527 9.116 1.361 152 HD3 ARG 20 HD1 ARG 20 -7.346 8.108 0.515 153 HE ARG 20 HE ARG 20 -8.061 7.344 3.248 154 HH11 ARG 20 HH11 ARG 20 -8.354 6.596 -0.174 155 HH12 ARG 20 HH12 ARG 20 -9.283 5.160 0.121 156 HH21 ARG 20 HH21 ARG 20 -9.269 5.508 3.588 157 HH22 ARG 20 HH22 ARG 20 -9.813 4.559 2.239 158 H GLU 21 HN GLU 21 -7.571 12.264 -0.842 159 HA GLU 21 HA GLU 21 -8.669 9.883 -2.105 160 HB2 GLU 21 HB2 GLU 21 -10.506 11.340 -2.937 161 HB3 GLU 21 HB1 GLU 21 -10.321 11.402 -1.191 162 HG2 GLU 21 HG2 GLU 21 -9.090 13.521 -2.962 163 HG3 GLU 21 HG1 GLU 21 -10.788 13.596 -2.500 164 H THR 22 HN THR 22 -6.399 12.307 -2.988 165 HA THR 22 HA THR 22 -6.815 12.009 -5.861 166 HB THR 22 HB THR 22 -4.859 13.464 -6.152 167 HG1 THR 22 HG1 THR 22 -4.189 12.621 -3.709 168 HG21 THR 22 HG21 THR 22 -7.006 14.587 -5.695 169 HG22 THR 22 HG22 THR 22 -5.661 15.507 -5.020 170 HG23 THR 22 HG23 THR 22 -6.677 14.528 -3.961 171 H ILE 23 HN ILE 23 -5.537 10.032 -3.497 172 HA ILE 23 HA ILE 23 -3.645 8.613 -5.212 173 HB ILE 23 HB ILE 23 -4.796 8.050 -2.426 174 HG12 ILE 23 HG12 ILE 23 -2.345 8.011 -1.734 175 HG13 ILE 23 HG11 ILE 23 -1.926 8.514 -3.363 176 HG21 ILE 23 HG21 ILE 23 -3.468 5.959 -2.326 177 HG22 ILE 23 HG22 ILE 23 -3.073 6.140 -4.035 178 HG23 ILE 23 HG23 ILE 23 -4.748 5.889 -3.538 179 HD11 ILE 23 HD11 ILE 23 -3.557 10.098 -1.395 180 HD12 ILE 23 HD12 ILE 23 -3.106 10.609 -3.024 181 HD13 ILE 23 HD13 ILE 23 -1.858 10.354 -1.804 182 H THR 24 HN THR 24 -4.250 6.840 -6.462 183 HA THR 24 HA THR 24 -7.028 5.784 -6.285 184 HB THR 24 HB THR 24 -6.947 5.430 -8.777 185 HG1 THR 24 HG1 THR 24 -4.677 7.141 -8.745 186 HG21 THR 24 HG21 THR 24 -7.319 7.776 -9.452 187 HG22 THR 24 HG22 THR 24 -6.567 8.334 -7.955 188 HG23 THR 24 HG23 THR 24 -8.091 7.441 -7.903 189 HA PRO 25 HA PRO 25 -5.163 1.673 -6.034 190 HB2 PRO 25 HB2 PRO 25 -6.587 0.229 -7.991 191 HB3 PRO 25 HB1 PRO 25 -7.115 0.486 -6.324 192 HG2 PRO 25 HG2 PRO 25 -7.868 2.008 -8.812 193 HG3 PRO 25 HG1 PRO 25 -8.898 1.495 -7.460 194 HD2 PRO 25 HD2 PRO 25 -8.078 4.034 -7.655 195 HD3 PRO 25 HD1 PRO 25 -8.143 3.238 -6.064 196 H GLU 26 HN GLU 26 -5.326 3.304 -9.183 197 HA GLU 26 HA GLU 26 -3.321 1.487 -10.361 198 HB2 GLU 26 HB2 GLU 26 -3.934 2.506 -12.511 199 HB3 GLU 26 HB1 GLU 26 -5.373 1.914 -11.681 200 HG2 GLU 26 HG2 GLU 26 -5.874 4.229 -10.935 201 HG3 GLU 26 HG1 GLU 26 -4.458 4.806 -11.819 202 H SER 27 HN SER 27 -3.224 4.190 -8.478 203 HA SER 27 HA SER 27 -1.491 5.896 -10.050 204 HB2 SER 27 HB2 SER 27 -1.279 7.274 -8.011 205 HB3 SER 27 HB1 SER 27 -2.966 6.876 -8.319 206 HG SER 27 HG SER 27 -2.113 4.975 -6.767 207 H HIS 28 HN HIS 28 0.655 5.850 -10.176 208 HA HIS 28 HA HIS 28 2.252 3.910 -8.702 209 HB2 HIS 28 HB2 HIS 28 2.552 4.459 -11.180 210 HB3 HIS 28 HB1 HIS 28 3.189 6.023 -10.694 211 HD2 HIS 28 HD2 HIS 28 4.310 2.398 -11.149 212 HE1 HIS 28 HE1 HIS 28 7.525 4.557 -9.466 213 HE2 HIS 28 HE2 HIS 28 6.864 2.486 -10.735 214 H ALA 29 HN ALA 29 3.035 4.451 -6.710 215 HA ALA 29 HA ALA 29 2.767 6.794 -5.373 216 HB1 ALA 29 HB1 ALA 29 4.362 5.892 -3.755 217 HB2 ALA 29 HB2 ALA 29 4.945 4.732 -4.957 218 HB3 ALA 29 HB3 ALA 29 3.286 4.631 -4.361 219 H ILE 30 HN ILE 30 5.303 6.167 -7.697 220 HA ILE 30 HA ILE 30 6.928 8.432 -6.689 221 HB ILE 30 HB ILE 30 7.720 6.254 -8.677 222 HG12 ILE 30 HG12 ILE 30 8.434 6.544 -5.714 223 HG13 ILE 30 HG11 ILE 30 7.315 5.357 -6.378 224 HG21 ILE 30 HG21 ILE 30 10.038 7.057 -8.370 225 HG22 ILE 30 HG22 ILE 30 9.454 8.360 -7.333 226 HG23 ILE 30 HG23 ILE 30 9.008 8.327 -9.040 227 HD11 ILE 30 HD11 ILE 30 9.167 4.320 -7.605 228 HD12 ILE 30 HD12 ILE 30 9.449 4.352 -5.864 229 HD13 ILE 30 HD13 ILE 30 10.280 5.501 -6.912 230 H ASP 31 HN ASP 31 5.751 7.034 -9.734 231 HA ASP 31 HA ASP 31 6.438 9.234 -11.403 232 HB2 ASP 31 HB2 ASP 31 6.289 7.023 -12.379 233 HB3 ASP 31 HB1 ASP 31 4.639 6.808 -11.815 234 H ASP 32 HN ASP 32 3.463 8.367 -9.697 235 HA ASP 32 HA ASP 32 1.946 10.517 -11.020 236 HB2 ASP 32 HB2 ASP 32 0.819 8.347 -10.974 237 HB3 ASP 32 HB1 ASP 32 1.036 8.216 -9.231 238 H LEU 33 HN LEU 33 2.384 9.283 -7.641 239 HA LEU 33 HA LEU 33 1.299 11.622 -6.457 240 HB2 LEU 33 HB2 LEU 33 2.915 9.375 -5.222 241 HB3 LEU 33 HB1 LEU 33 2.003 10.569 -4.313 242 HG LEU 33 HG LEU 33 0.804 8.489 -6.198 243 HD11 LEU 33 HD11 LEU 33 0.722 8.634 -3.167 244 HD12 LEU 33 HD12 LEU 33 1.635 7.469 -4.132 245 HD13 LEU 33 HD13 LEU 33 -0.126 7.461 -4.179 246 HD21 LEU 33 HD21 LEU 33 -0.589 10.556 -4.458 247 HD22 LEU 33 HD22 LEU 33 -1.389 9.254 -5.343 248 HD23 LEU 33 HD23 LEU 33 -0.546 10.522 -6.227 249 H GLY 34 HN GLY 34 4.403 11.143 -7.751 250 HA2 GLY 34 HA2 GLY 34 6.215 12.559 -7.881 251 HA3 GLY 34 HA1 GLY 34 5.286 13.755 -6.990 252 H ILE 35 HN ILE 35 6.123 10.523 -5.879 253 HA ILE 35 HA ILE 35 7.673 11.656 -3.614 254 HB ILE 35 HB ILE 35 6.077 9.062 -3.855 255 HG12 ILE 35 HG12 ILE 35 5.533 11.524 -2.127 256 HG13 ILE 35 HG11 ILE 35 4.696 11.163 -3.636 257 HG21 ILE 35 HG21 ILE 35 8.054 8.701 -2.422 258 HG22 ILE 35 HG22 ILE 35 6.572 8.667 -1.470 259 HG23 ILE 35 HG23 ILE 35 7.603 10.095 -1.436 260 HD11 ILE 35 HD11 ILE 35 4.634 9.520 -1.121 261 HD12 ILE 35 HD12 ILE 35 3.794 9.133 -2.626 262 HD13 ILE 35 HD13 ILE 35 3.371 10.583 -1.721 263 H ASP 36 HN ASP 36 9.845 11.328 -3.902 264 HA ASP 36 HA ASP 36 10.962 9.637 -5.885 265 HB2 ASP 36 HB2 ASP 36 12.010 11.740 -4.980 266 HB3 ASP 36 HB1 ASP 36 12.337 10.904 -3.468 267 H SER 37 HN SER 37 12.457 7.811 -5.492 268 HA SER 37 HA SER 37 11.206 5.699 -4.136 269 HB2 SER 37 HB2 SER 37 14.091 5.840 -5.123 270 HB3 SER 37 HB1 SER 37 13.179 4.364 -4.785 271 HG SER 37 HG SER 37 11.894 6.071 -6.509 272 H LEU 38 HN LEU 38 13.670 7.951 -3.035 273 HA LEU 38 HA LEU 38 14.608 6.502 -0.762 274 HB2 LEU 38 HB2 LEU 38 14.532 9.515 -1.211 275 HB3 LEU 38 HB1 LEU 38 15.465 8.689 0.031 276 HG LEU 38 HG LEU 38 15.916 8.539 -2.972 277 HD11 LEU 38 HD11 LEU 38 16.673 10.654 -1.974 278 HD12 LEU 38 HD12 LEU 38 18.039 9.680 -2.511 279 HD13 LEU 38 HD13 LEU 38 17.643 9.764 -0.793 280 HD21 LEU 38 HD21 LEU 38 17.447 7.119 -0.760 281 HD22 LEU 38 HD22 LEU 38 17.905 7.168 -2.462 282 HD23 LEU 38 HD23 LEU 38 16.420 6.359 -1.983 283 H ASP 39 HN ASP 39 12.187 9.053 -1.229 284 HA ASP 39 HA ASP 39 11.218 9.242 1.427 285 HB2 ASP 39 HB2 ASP 39 9.860 9.900 -1.222 286 HB3 ASP 39 HB1 ASP 39 9.232 10.381 0.353 287 H PHE 40 HN PHE 40 10.397 7.147 -1.279 288 HA PHE 40 HA PHE 40 7.961 6.110 -0.186 289 HB2 PHE 40 HB2 PHE 40 8.466 6.116 -2.641 290 HB3 PHE 40 HB1 PHE 40 9.731 4.918 -2.369 291 HD1 PHE 40 HD1 PHE 40 6.098 5.388 -1.486 292 HD2 PHE 40 HD2 PHE 40 9.120 2.699 -2.857 293 HE1 PHE 40 HE1 PHE 40 4.425 3.599 -1.667 294 HE2 PHE 40 HE2 PHE 40 7.437 0.914 -3.050 295 HZ PHE 40 HZ PHE 40 5.092 1.365 -2.455 296 H LEU 41 HN LEU 41 11.379 5.179 0.058 297 HA LEU 41 HA LEU 41 11.113 2.693 1.379 298 HB2 LEU 41 HB2 LEU 41 13.217 4.861 1.771 299 HB3 LEU 41 HB1 LEU 41 13.341 3.235 2.429 300 HG LEU 41 HG LEU 41 13.225 3.849 -0.553 301 HD11 LEU 41 HD11 LEU 41 15.275 4.786 0.439 302 HD12 LEU 41 HD12 LEU 41 15.630 3.416 -0.609 303 HD13 LEU 41 HD13 LEU 41 15.661 3.212 1.145 304 HD21 LEU 41 HD21 LEU 41 13.981 1.524 -0.831 305 HD22 LEU 41 HD22 LEU 41 12.428 1.592 0.001 306 HD23 LEU 41 HD23 LEU 41 13.907 1.277 0.915 307 H ASP 42 HN ASP 42 11.184 6.021 2.625 308 HA ASP 42 HA ASP 42 10.879 5.521 5.396 309 HB2 ASP 42 HB2 ASP 42 10.126 7.964 3.722 310 HB3 ASP 42 HB1 ASP 42 10.001 7.933 5.480 311 H ILE 43 HN ILE 43 8.457 6.031 2.823 312 HA ILE 43 HA ILE 43 6.149 6.054 4.487 313 HB ILE 43 HB ILE 43 6.375 5.240 1.551 314 HG12 ILE 43 HG12 ILE 43 5.568 7.908 2.802 315 HG13 ILE 43 HG11 ILE 43 7.073 7.585 1.943 316 HG21 ILE 43 HG21 ILE 43 3.866 5.912 3.150 317 HG22 ILE 43 HG22 ILE 43 4.304 4.320 2.527 318 HG23 ILE 43 HG23 ILE 43 3.925 5.628 1.411 319 HD11 ILE 43 HD11 ILE 43 4.294 7.551 0.768 320 HD12 ILE 43 HD12 ILE 43 5.783 7.183 -0.108 321 HD13 ILE 43 HD13 ILE 43 5.524 8.796 0.547 322 H ALA 44 HN ALA 44 7.858 3.456 2.779 323 HA ALA 44 HA ALA 44 5.899 1.427 3.247 324 HB1 ALA 44 HB1 ALA 44 7.389 1.370 1.298 325 HB2 ALA 44 HB2 ALA 44 7.573 -0.087 2.276 326 HB3 ALA 44 HB3 ALA 44 8.789 1.192 2.358 327 H PHE 45 HN PHE 45 8.883 2.488 4.810 328 HA PHE 45 HA PHE 45 9.089 0.489 6.789 329 HB2 PHE 45 HB2 PHE 45 10.814 2.289 6.064 330 HB3 PHE 45 HB1 PHE 45 9.959 3.393 7.131 331 HD1 PHE 45 HD1 PHE 45 11.240 -0.148 7.343 332 HD2 PHE 45 HD2 PHE 45 11.071 3.719 9.167 333 HE1 PHE 45 HE1 PHE 45 12.665 -0.947 9.177 334 HE2 PHE 45 HE2 PHE 45 12.497 2.907 10.997 335 HZ PHE 45 HZ PHE 45 13.300 0.578 11.005 336 H ALA 46 HN ALA 46 7.298 3.561 6.655 337 HA ALA 46 HA ALA 46 6.209 3.496 9.291 338 HB1 ALA 46 HB1 ALA 46 6.231 5.548 7.925 339 HB2 ALA 46 HB2 ALA 46 4.591 5.162 8.454 340 HB3 ALA 46 HB3 ALA 46 5.089 4.816 6.796 341 H ILE 47 HN ILE 47 5.206 2.092 6.218 342 HA ILE 47 HA ILE 47 2.672 1.036 6.983 343 HB ILE 47 HB ILE 47 4.653 0.189 4.822 344 HG12 ILE 47 HG12 ILE 47 2.020 1.722 4.593 345 HG13 ILE 47 HG11 ILE 47 3.619 2.455 4.544 346 HG21 ILE 47 HG21 ILE 47 3.290 -1.769 5.378 347 HG22 ILE 47 HG22 ILE 47 2.853 -1.147 3.786 348 HG23 ILE 47 HG23 ILE 47 1.815 -0.825 5.176 349 HD11 ILE 47 HD11 ILE 47 4.095 1.255 2.462 350 HD12 ILE 47 HD12 ILE 47 2.649 2.255 2.331 351 HD13 ILE 47 HD13 ILE 47 2.497 0.508 2.524 352 H ASP 48 HN ASP 48 5.990 -0.225 7.142 353 HA ASP 48 HA ASP 48 5.536 -2.869 7.919 354 HB2 ASP 48 HB2 ASP 48 7.853 -1.048 8.677 355 HB3 ASP 48 HB1 ASP 48 7.835 -2.786 8.964 356 H LYS 49 HN LYS 49 5.925 0.037 9.906 357 HA LYS 49 HA LYS 49 5.558 -1.294 12.425 358 HB2 LYS 49 HB2 LYS 49 5.569 1.631 11.622 359 HB3 LYS 49 HB1 LYS 49 5.080 1.170 13.244 360 HG2 LYS 49 HG2 LYS 49 7.423 1.802 13.270 361 HG3 LYS 49 HG1 LYS 49 7.272 0.077 13.599 362 HD2 LYS 49 HD2 LYS 49 7.864 -0.398 11.210 363 HD3 LYS 49 HD1 LYS 49 8.093 1.335 10.955 364 HE2 LYS 49 HE2 LYS 49 9.685 -0.431 12.838 365 HE3 LYS 49 HE1 LYS 49 10.240 0.225 11.298 366 HZ1 LYS 49 HZ1 LYS 49 9.981 2.461 12.236 367 HZ2 LYS 49 HZ2 LYS 49 11.089 1.528 13.108 368 HZ3 LYS 49 HZ3 LYS 49 9.540 1.783 13.720 369 H ALA 50 HN ALA 50 3.401 0.570 10.301 370 HA ALA 50 HA ALA 50 1.111 0.722 11.819 371 HB1 ALA 50 HB1 ALA 50 1.277 0.373 8.800 372 HB2 ALA 50 HB2 ALA 50 1.429 1.897 9.676 373 HB3 ALA 50 HB3 ALA 50 -0.103 1.024 9.694 374 H PHE 51 HN PHE 51 1.841 -1.826 9.429 375 HA PHE 51 HA PHE 51 -0.422 -3.457 10.311 376 HB2 PHE 51 HB2 PHE 51 1.547 -3.836 8.026 377 HB3 PHE 51 HB1 PHE 51 0.221 -4.933 8.379 378 HD1 PHE 51 HD2 PHE 51 1.109 -1.621 7.044 379 HD2 PHE 51 HD1 PHE 51 -2.102 -4.315 7.880 380 HE1 PHE 51 HE2 PHE 51 -0.373 -0.325 5.567 381 HE2 PHE 51 HE1 PHE 51 -3.575 -3.010 6.403 382 HZ PHE 51 HZ PHE 51 -2.701 -1.028 5.238 383 H GLY 52 HN GLY 52 2.835 -3.175 11.204 384 HA2 GLY 52 HA2 GLY 52 4.260 -4.495 12.424 385 HA3 GLY 52 HA1 GLY 52 2.928 -5.613 12.686 386 H ILE 53 HN ILE 53 4.074 -4.675 9.505 387 HA ILE 53 HA ILE 53 4.904 -7.471 8.942 388 HB ILE 53 HB ILE 53 4.387 -7.000 6.561 389 HG12 ILE 53 HG12 ILE 53 3.180 -4.339 7.456 390 HG13 ILE 53 HG11 ILE 53 4.781 -4.453 6.738 391 HG21 ILE 53 HG21 ILE 53 2.631 -8.036 7.922 392 HG22 ILE 53 HG22 ILE 53 1.910 -6.971 6.714 393 HG23 ILE 53 HG23 ILE 53 2.028 -6.445 8.394 394 HD11 ILE 53 HD11 ILE 53 3.763 -5.363 4.700 395 HD12 ILE 53 HD12 ILE 53 3.147 -3.765 5.121 396 HD13 ILE 53 HD13 ILE 53 2.171 -5.198 5.443 397 H LYS 54 HN LYS 54 6.390 -7.352 6.817 398 HA LYS 54 HA LYS 54 8.266 -5.086 6.886 399 HB2 LYS 54 HB2 LYS 54 9.316 -6.869 8.229 400 HB3 LYS 54 HB1 LYS 54 9.054 -8.042 6.936 401 HG2 LYS 54 HG2 LYS 54 10.562 -6.647 5.469 402 HG3 LYS 54 HG1 LYS 54 10.904 -5.628 6.871 403 HD2 LYS 54 HD2 LYS 54 11.892 -7.537 8.054 404 HD3 LYS 54 HD1 LYS 54 11.463 -8.617 6.726 405 HE2 LYS 54 HE2 LYS 54 12.957 -7.289 5.224 406 HE3 LYS 54 HE1 LYS 54 13.433 -6.317 6.615 407 HZ1 LYS 54 HZ1 LYS 54 14.251 -8.371 7.658 408 HZ2 LYS 54 HZ2 LYS 54 15.060 -7.987 6.226 409 HZ3 LYS 54 HZ3 LYS 54 13.903 -9.215 6.236 410 H LEU 55 HN LEU 55 7.878 -4.257 4.904 411 HA LEU 55 HA LEU 55 7.547 -5.882 2.521 412 HB2 LEU 55 HB2 LEU 55 7.960 -2.870 2.810 413 HB3 LEU 55 HB1 LEU 55 7.505 -3.705 1.329 414 HG LEU 55 HG LEU 55 5.796 -3.552 3.849 415 HD11 LEU 55 HD11 LEU 55 5.463 -2.080 1.207 416 HD12 LEU 55 HD12 LEU 55 5.941 -1.362 2.750 417 HD13 LEU 55 HD13 LEU 55 4.329 -2.050 2.564 418 HD21 LEU 55 HD21 LEU 55 5.085 -4.687 1.114 419 HD22 LEU 55 HD22 LEU 55 4.017 -4.575 2.513 420 HD23 LEU 55 HD23 LEU 55 5.416 -5.638 2.564 421 HA PRO 56 HA PRO 56 12.143 -5.950 1.964 422 HB2 PRO 56 HB2 PRO 56 11.427 -7.512 -0.489 423 HB3 PRO 56 HB1 PRO 56 12.503 -7.950 0.850 424 HG2 PRO 56 HG2 PRO 56 10.101 -9.127 0.591 425 HG3 PRO 56 HG1 PRO 56 10.725 -8.697 2.201 426 HD2 PRO 56 HD2 PRO 56 8.729 -7.193 0.480 427 HD3 PRO 56 HD1 PRO 56 8.630 -7.626 2.205 428 H LEU 57 HN LEU 57 11.318 -3.544 1.479 429 HA LEU 57 HA LEU 57 10.600 -2.810 -1.181 430 HB2 LEU 57 HB2 LEU 57 10.303 -1.593 1.236 431 HB3 LEU 57 HB1 LEU 57 11.724 -0.735 0.697 432 HG LEU 57 HG LEU 57 9.766 0.599 0.204 433 HD11 LEU 57 HD11 LEU 57 11.510 0.761 -1.485 434 HD12 LEU 57 HD12 LEU 57 9.917 0.988 -2.197 435 HD13 LEU 57 HD13 LEU 57 10.769 -0.545 -2.409 436 HD21 LEU 57 HD21 LEU 57 7.924 -0.162 -1.201 437 HD22 LEU 57 HD22 LEU 57 8.097 -1.177 0.225 438 HD23 LEU 57 HD23 LEU 57 8.663 -1.758 -1.341 439 H GLU 58 HN GLU 58 13.664 -2.740 0.653 440 HA GLU 58 HA GLU 58 15.277 -1.437 -1.239 441 HB2 GLU 58 HB2 GLU 58 17.198 -2.847 -0.129 442 HB3 GLU 58 HB1 GLU 58 16.344 -1.665 0.835 443 HG2 GLU 58 HG2 GLU 58 16.743 -3.660 2.149 444 HG3 GLU 58 HG1 GLU 58 15.012 -3.457 1.888 445 H LYS 59 HN LYS 59 14.194 -4.770 -1.073 446 HA LYS 59 HA LYS 59 15.932 -5.709 -3.195 447 HB2 LYS 59 HB2 LYS 59 15.263 -7.159 -1.279 448 HB3 LYS 59 HB1 LYS 59 13.603 -7.120 -1.848 449 HG2 LYS 59 HG2 LYS 59 14.149 -8.379 -3.820 450 HG3 LYS 59 HG1 LYS 59 15.883 -8.214 -3.529 451 HD2 LYS 59 HD2 LYS 59 14.040 -9.646 -1.578 452 HD3 LYS 59 HD1 LYS 59 14.782 -10.481 -2.943 453 HE2 LYS 59 HE2 LYS 59 16.099 -10.866 -0.931 454 HE3 LYS 59 HE1 LYS 59 17.032 -9.886 -2.050 455 HZ1 LYS 59 HZ1 LYS 59 17.244 -9.118 0.212 456 HZ2 LYS 59 HZ2 LYS 59 15.579 -8.873 0.330 457 HZ3 LYS 59 HZ3 LYS 59 16.501 -7.934 -0.734 458 H TRP 60 HN TRP 60 12.631 -4.570 -2.867 459 HA TRP 60 HA TRP 60 11.668 -5.332 -5.441 460 HB2 TRP 60 HB2 TRP 60 10.753 -3.115 -3.555 461 HB3 TRP 60 HB1 TRP 60 9.884 -3.606 -5.006 462 HD1 TRP 60 HD1 TRP 60 11.009 -6.783 -3.629 463 HE1 TRP 60 HE1 TRP 60 9.236 -7.858 -2.130 464 HE3 TRP 60 HE3 TRP 60 7.943 -2.751 -2.982 465 HZ2 TRP 60 HZ2 TRP 60 6.839 -7.124 -0.874 466 HZ3 TRP 60 HZ3 TRP 60 5.918 -3.031 -1.620 467 HH2 TRP 60 HH2 TRP 60 5.377 -5.173 -0.587 468 H THR 61 HN THR 61 13.161 -2.431 -4.122 469 HA THR 61 HA THR 61 13.312 -0.834 -6.433 470 HB THR 61 HB THR 61 15.137 -0.875 -3.988 471 HG1 THR 61 HG1 THR 61 12.737 -0.464 -3.792 472 HG21 THR 61 HG21 THR 61 16.188 0.401 -5.827 473 HG22 THR 61 HG22 THR 61 15.659 1.486 -4.536 474 HG23 THR 61 HG23 THR 61 14.713 1.351 -6.020 475 H GLN 62 HN GLN 62 15.346 -3.422 -5.168 476 HA GLN 62 HA GLN 62 17.579 -3.154 -6.918 477 HB2 GLN 62 HB2 GLN 62 17.812 -4.298 -4.778 478 HB3 GLN 62 HB1 GLN 62 16.545 -5.439 -5.181 479 HG2 GLN 62 HG2 GLN 62 18.749 -6.486 -5.286 480 HG3 GLN 62 HG1 GLN 62 17.974 -6.483 -6.870 481 HE21 GLN 62 HE21 GLN 62 18.916 -5.293 -8.545 482 HE22 GLN 62 HE22 GLN 62 20.457 -4.525 -8.414 483 H GLU 63 HN GLU 63 14.682 -5.239 -6.905 484 HA GLU 63 HA GLU 63 15.232 -6.832 -9.138 485 HB2 GLU 63 HB2 GLU 63 12.599 -6.073 -7.809 486 HB3 GLU 63 HB1 GLU 63 12.686 -7.219 -9.147 487 HG2 GLU 63 HG2 GLU 63 14.066 -8.721 -7.829 488 HG3 GLU 63 HG1 GLU 63 14.120 -7.561 -6.500 489 H VAL 64 HN VAL 64 13.253 -3.911 -8.853 490 HA VAL 64 HA VAL 64 12.490 -3.732 -11.561 491 HB VAL 64 HB VAL 64 12.547 -1.652 -9.340 492 HG11 VAL 64 HG11 VAL 64 11.258 -1.381 -12.078 493 HG12 VAL 64 HG12 VAL 64 12.619 -0.437 -11.471 494 HG13 VAL 64 HG13 VAL 64 11.029 -0.268 -10.724 495 HG21 VAL 64 HG21 VAL 64 11.004 -3.549 -8.963 496 HG22 VAL 64 HG22 VAL 64 10.267 -3.287 -10.547 497 HG23 VAL 64 HG23 VAL 64 10.092 -2.071 -9.283 498 H ASN 65 HN ASN 65 15.204 -2.279 -9.785 499 HA ASN 65 HA ASN 65 16.430 -0.864 -11.890 500 HB2 ASN 65 HB2 ASN 65 16.981 -0.750 -9.404 501 HB3 ASN 65 HB1 ASN 65 17.831 -2.276 -9.573 502 HD21 ASN 65 HD21 ASN 65 18.804 0.335 -8.714 503 HD22 ASN 65 HD22 ASN 65 20.136 0.710 -9.741 504 H ASP 66 HN ASP 66 16.613 -4.304 -10.963 505 HA ASP 66 HA ASP 66 18.837 -4.912 -12.739 506 HB2 ASP 66 HB2 ASP 66 18.658 -5.828 -10.412 507 HB3 ASP 66 HB1 ASP 66 17.185 -6.674 -10.870 508 H GLY 67 HN GLY 67 15.678 -4.441 -13.387 509 HA2 GLY 67 HA2 GLY 67 14.238 -5.052 -15.049 510 HA3 GLY 67 HA1 GLY 67 15.560 -5.931 -15.792 511 H LYS 68 HN LYS 68 14.787 -6.936 -12.599 512 HA LYS 68 HA LYS 68 13.584 -9.433 -13.361 513 HB2 LYS 68 HB2 LYS 68 13.675 -8.032 -10.662 514 HB3 LYS 68 HB1 LYS 68 13.129 -9.683 -10.901 515 HG2 LYS 68 HG2 LYS 68 15.958 -8.835 -11.611 516 HG3 LYS 68 HG1 LYS 68 15.501 -9.274 -9.967 517 HD2 LYS 68 HD2 LYS 68 16.352 -11.292 -10.797 518 HD3 LYS 68 HD1 LYS 68 14.618 -11.498 -11.020 519 HE2 LYS 68 HE2 LYS 68 15.778 -12.293 -13.000 520 HE3 LYS 68 HE1 LYS 68 14.904 -10.823 -13.419 521 HZ1 LYS 68 HZ1 LYS 68 16.967 -9.576 -13.196 522 HZ2 LYS 68 HZ2 LYS 68 17.124 -10.812 -14.339 523 HZ3 LYS 68 HZ3 LYS 68 17.798 -10.995 -12.803 524 H ALA 69 HN ALA 69 12.477 -6.260 -12.407 525 HA ALA 69 HA ALA 69 9.730 -6.820 -13.252 526 HB1 ALA 69 HB1 ALA 69 10.414 -5.525 -10.579 527 HB2 ALA 69 HB2 ALA 69 9.718 -7.131 -10.794 528 HB3 ALA 69 HB3 ALA 69 8.789 -5.704 -11.257 529 H THR 70 HN THR 70 8.512 -4.688 -13.422 530 HA THR 70 HA THR 70 10.222 -2.538 -14.509 531 HB THR 70 HB THR 70 7.239 -3.058 -14.987 532 HG1 THR 70 HG1 THR 70 9.565 -4.065 -16.226 533 HG21 THR 70 HG21 THR 70 9.238 -1.356 -16.540 534 HG22 THR 70 HG22 THR 70 7.939 -0.735 -15.519 535 HG23 THR 70 HG23 THR 70 7.553 -1.633 -16.988 536 H THR 71 HN THR 71 9.544 -0.258 -14.094 537 HA THR 71 HA THR 71 8.936 0.427 -11.429 538 HB THR 71 HB THR 71 8.651 2.786 -12.413 539 HG1 THR 71 HG1 THR 71 8.604 3.036 -14.535 540 HG21 THR 71 HG21 THR 71 10.882 2.000 -11.673 541 HG22 THR 71 HG22 THR 71 11.005 3.055 -13.081 542 HG23 THR 71 HG23 THR 71 11.169 1.309 -13.273 543 H GLU 72 HN GLU 72 7.004 -0.799 -11.025 544 HA GLU 72 HA GLU 72 4.468 0.391 -11.352 545 HB2 GLU 72 HB2 GLU 72 4.855 -0.263 -13.761 546 HB3 GLU 72 HB1 GLU 72 4.989 -1.946 -13.267 547 HG2 GLU 72 HG2 GLU 72 2.614 -1.804 -12.423 548 HG3 GLU 72 HG1 GLU 72 2.523 -0.180 -13.120 549 H GLN 73 HN GLN 73 5.934 -2.833 -11.517 550 HA GLN 73 HA GLN 73 3.779 -4.236 -10.428 551 HB2 GLN 73 HB2 GLN 73 6.703 -5.034 -10.683 552 HB3 GLN 73 HB1 GLN 73 5.407 -6.159 -10.274 553 HG2 GLN 73 HG2 GLN 73 4.317 -5.718 -12.440 554 HG3 GLN 73 HG1 GLN 73 5.572 -4.547 -12.841 555 HE21 GLN 73 HE21 GLN 73 4.886 -7.963 -12.383 556 HE22 GLN 73 HE22 GLN 73 6.265 -8.554 -13.239 557 H TYR 74 HN TYR 74 6.399 -2.674 -8.691 558 HA TYR 74 HA TYR 74 5.254 -3.677 -6.137 559 HB2 TYR 74 HB2 TYR 74 8.087 -2.699 -6.718 560 HB3 TYR 74 HB1 TYR 74 7.490 -3.202 -5.142 561 HD1 TYR 74 HD2 TYR 74 6.389 -5.666 -5.100 562 HD2 TYR 74 HD1 TYR 74 9.255 -4.329 -7.978 563 HE1 TYR 74 HE2 TYR 74 7.000 -7.995 -5.577 564 HE2 TYR 74 HE1 TYR 74 9.860 -6.665 -8.444 565 HH TYR 74 HH TYR 74 9.761 -8.847 -7.338 566 H PHE 75 HN PHE 75 5.557 -0.857 -8.075 567 HA PHE 75 HA PHE 75 5.580 0.951 -5.736 568 HB2 PHE 75 HB2 PHE 75 6.550 1.444 -8.581 569 HB3 PHE 75 HB1 PHE 75 6.565 2.636 -7.286 570 HD1 PHE 75 HD1 PHE 75 7.995 2.142 -5.202 571 HD2 PHE 75 HD2 PHE 75 8.413 -0.048 -8.847 572 HE1 PHE 75 HE1 PHE 75 10.229 1.384 -4.493 573 HE2 PHE 75 HE2 PHE 75 10.645 -0.789 -8.125 574 HZ PHE 75 HZ PHE 75 11.550 -0.083 -5.954 575 H VAL 76 HN VAL 76 3.311 -0.372 -7.533 576 HA VAL 76 HA VAL 76 1.693 2.108 -7.806 577 HB VAL 76 HB VAL 76 1.293 -0.650 -9.067 578 HG11 VAL 76 HG11 VAL 76 -0.784 0.208 -10.114 579 HG12 VAL 76 HG12 VAL 76 -0.653 1.691 -9.160 580 HG13 VAL 76 HG13 VAL 76 -0.925 0.141 -8.358 581 HG21 VAL 76 HG21 VAL 76 1.372 0.591 -11.211 582 HG22 VAL 76 HG22 VAL 76 2.866 0.788 -10.281 583 HG23 VAL 76 HG23 VAL 76 1.671 2.089 -10.324 584 H LEU 77 HN LEU 77 -0.236 2.212 -6.704 585 HA LEU 77 HA LEU 77 -0.184 1.404 -4.070 586 HB2 LEU 77 HB2 LEU 77 -2.105 2.846 -5.830 587 HB3 LEU 77 HB1 LEU 77 -2.827 2.154 -4.397 588 HG LEU 77 HG LEU 77 -2.168 4.530 -4.106 589 HD11 LEU 77 HD11 LEU 77 -2.390 3.077 -2.160 590 HD12 LEU 77 HD12 LEU 77 -1.135 4.285 -1.907 591 HD13 LEU 77 HD13 LEU 77 -0.687 2.616 -2.278 592 HD21 LEU 77 HD21 LEU 77 0.189 5.175 -3.883 593 HD22 LEU 77 HD22 LEU 77 -0.145 4.571 -5.502 594 HD23 LEU 77 HD23 LEU 77 0.702 3.547 -4.340 595 H LYS 78 HN LYS 78 -2.138 -0.052 -6.698 596 HA LYS 78 HA LYS 78 -3.626 -1.807 -4.996 597 HB2 LYS 78 HB2 LYS 78 -4.301 -2.964 -7.094 598 HB3 LYS 78 HB1 LYS 78 -4.481 -1.219 -7.209 599 HG2 LYS 78 HG2 LYS 78 -2.345 -1.095 -8.467 600 HG3 LYS 78 HG1 LYS 78 -2.221 -2.853 -8.399 601 HD2 LYS 78 HD2 LYS 78 -4.312 -3.044 -9.718 602 HD3 LYS 78 HD1 LYS 78 -4.436 -1.279 -9.770 603 HE2 LYS 78 HE2 LYS 78 -2.336 -1.141 -11.047 604 HE3 LYS 78 HE1 LYS 78 -2.124 -2.889 -10.917 605 HZ1 LYS 78 HZ1 LYS 78 -3.009 -2.285 -13.056 606 HZ2 LYS 78 HZ2 LYS 78 -4.328 -1.519 -12.338 607 HZ3 LYS 78 HZ3 LYS 78 -4.150 -3.194 -12.197 608 H ASN 79 HN ASN 79 -0.597 -2.207 -6.819 609 HA ASN 79 HA ASN 79 -0.244 -5.005 -6.324 610 HB2 ASN 79 HB2 ASN 79 1.807 -2.879 -7.076 611 HB3 ASN 79 HB1 ASN 79 2.141 -4.609 -7.041 612 HD21 ASN 79 HD21 ASN 79 2.367 -5.220 -9.098 613 HD22 ASN 79 HD22 ASN 79 1.302 -4.831 -10.400 614 H LEU 80 HN LEU 80 1.016 -2.076 -4.861 615 HA LEU 80 HA LEU 80 2.692 -3.095 -2.889 616 HB2 LEU 80 HB2 LEU 80 2.614 -0.713 -3.565 617 HB3 LEU 80 HB1 LEU 80 1.000 -0.558 -2.895 618 HG LEU 80 HG LEU 80 1.948 -0.972 -0.601 619 HD11 LEU 80 HD11 LEU 80 4.648 -0.840 -1.994 620 HD12 LEU 80 HD12 LEU 80 3.949 -2.249 -1.183 621 HD13 LEU 80 HD13 LEU 80 4.381 -0.819 -0.247 622 HD21 LEU 80 HD21 LEU 80 2.980 1.245 -0.342 623 HD22 LEU 80 HD22 LEU 80 1.558 1.322 -1.378 624 HD23 LEU 80 HD23 LEU 80 3.171 1.373 -2.093 625 H ALA 81 HN ALA 81 -0.731 -2.134 -2.688 626 HA ALA 81 HA ALA 81 -1.221 -2.866 -0.006 627 HB1 ALA 81 HB1 ALA 81 -2.643 -1.301 -1.259 628 HB2 ALA 81 HB2 ALA 81 -3.597 -2.618 -0.570 629 HB3 ALA 81 HB3 ALA 81 -3.198 -2.620 -2.293 630 H ALA 82 HN ALA 82 -1.361 -4.722 -3.004 631 HA ALA 82 HA ALA 82 -2.728 -7.006 -1.969 632 HB1 ALA 82 HB1 ALA 82 -2.549 -6.576 -4.387 633 HB2 ALA 82 HB2 ALA 82 -1.892 -8.164 -3.982 634 HB3 ALA 82 HB3 ALA 82 -0.801 -6.816 -4.314 635 H ARG 83 HN ARG 83 0.744 -6.318 -2.513 636 HA ARG 83 HA ARG 83 1.953 -8.578 -1.436 637 HB2 ARG 83 HB2 ARG 83 2.874 -5.676 -1.399 638 HB3 ARG 83 HB1 ARG 83 3.912 -7.006 -0.910 639 HG2 ARG 83 HG2 ARG 83 2.696 -6.889 -3.687 640 HG3 ARG 83 HG1 ARG 83 4.188 -6.044 -3.281 641 HD2 ARG 83 HD2 ARG 83 4.822 -8.134 -4.268 642 HD3 ARG 83 HD1 ARG 83 5.170 -8.249 -2.541 643 HE ARG 83 HE ARG 83 2.602 -9.324 -3.092 644 HH11 ARG 83 HH11 ARG 83 6.007 -10.108 -3.431 645 HH12 ARG 83 HH12 ARG 83 5.716 -11.811 -3.570 646 HH21 ARG 83 HH21 ARG 83 2.248 -11.539 -3.301 647 HH22 ARG 83 HH22 ARG 83 3.593 -12.615 -3.507 648 H ILE 84 HN ILE 84 1.036 -5.580 0.192 649 HA ILE 84 HA ILE 84 1.944 -6.077 2.805 650 HB ILE 84 HB ILE 84 -0.350 -4.360 1.749 651 HG12 ILE 84 HG12 ILE 84 2.428 -3.530 2.720 652 HG13 ILE 84 HG11 ILE 84 2.020 -3.804 1.030 653 HG21 ILE 84 HG21 ILE 84 -0.849 -4.811 4.101 654 HG22 ILE 84 HG22 ILE 84 -0.345 -3.135 3.912 655 HG23 ILE 84 HG23 ILE 84 0.777 -4.321 4.577 656 HD11 ILE 84 HD11 ILE 84 2.068 -1.448 1.619 657 HD12 ILE 84 HD12 ILE 84 0.795 -1.708 2.811 658 HD13 ILE 84 HD13 ILE 84 0.462 -1.952 1.095 659 H ASP 85 HN ASP 85 -1.290 -6.542 1.373 660 HA ASP 85 HA ASP 85 -2.602 -7.520 3.663 661 HB2 ASP 85 HB2 ASP 85 -3.739 -6.557 1.681 662 HB3 ASP 85 HB1 ASP 85 -3.273 -7.960 0.727 663 H GLU 86 HN GLU 86 -0.836 -9.190 1.117 664 HA GLU 86 HA GLU 86 -1.456 -11.876 1.807 665 HB2 GLU 86 HB2 GLU 86 0.972 -10.675 0.403 666 HB3 GLU 86 HB1 GLU 86 0.728 -12.410 0.588 667 HG2 GLU 86 HG2 GLU 86 -1.295 -12.323 -0.749 668 HG3 GLU 86 HG1 GLU 86 -1.214 -10.568 -0.837 669 H LEU 87 HN LEU 87 1.133 -9.674 2.827 670 HA LEU 87 HA LEU 87 2.439 -11.472 4.610 671 HB2 LEU 87 HB2 LEU 87 2.460 -8.427 4.560 672 HB3 LEU 87 HB1 LEU 87 3.558 -9.424 5.513 673 HG LEU 87 HG LEU 87 3.422 -9.360 2.463 674 HD11 LEU 87 HD11 LEU 87 4.370 -7.301 3.370 675 HD12 LEU 87 HD12 LEU 87 5.605 -8.254 2.557 676 HD13 LEU 87 HD13 LEU 87 5.535 -8.225 4.323 677 HD21 LEU 87 HD21 LEU 87 5.339 -10.882 4.269 678 HD22 LEU 87 HD22 LEU 87 5.453 -10.759 2.511 679 HD23 LEU 87 HD23 LEU 87 4.083 -11.586 3.245 680 H VAL 88 HN VAL 88 -0.137 -9.078 5.080 681 HA VAL 88 HA VAL 88 -0.262 -9.148 7.919 682 HB VAL 88 HB VAL 88 -2.417 -8.346 5.902 683 HG11 VAL 88 HG11 VAL 88 -3.502 -7.123 7.768 684 HG12 VAL 88 HG12 VAL 88 -2.299 -7.773 8.884 685 HG13 VAL 88 HG13 VAL 88 -3.441 -8.859 8.094 686 HG21 VAL 88 HG21 VAL 88 -0.361 -6.968 5.756 687 HG22 VAL 88 HG22 VAL 88 -0.471 -6.621 7.481 688 HG23 VAL 88 HG23 VAL 88 -1.720 -6.033 6.382 689 H ALA 89 HN ALA 89 -1.987 -10.884 5.381 690 HA ALA 89 HA ALA 89 -3.615 -12.542 6.979 691 HB1 ALA 89 HB1 ALA 89 -2.487 -13.120 4.220 692 HB2 ALA 89 HB2 ALA 89 -3.984 -12.250 4.560 693 HB3 ALA 89 HB3 ALA 89 -3.841 -13.958 4.978 694 H ALA 90 HN ALA 90 -0.274 -12.866 5.893 695 HA ALA 90 HA ALA 90 0.130 -15.586 6.608 696 HB1 ALA 90 HB1 ALA 90 2.516 -15.112 6.222 697 HB2 ALA 90 HB2 ALA 90 2.167 -13.379 6.180 698 HB3 ALA 90 HB3 ALA 90 1.505 -14.442 4.938 699 H LYS 91 HN LYS 91 0.705 -12.512 8.297 700 HA LYS 91 HA LYS 91 2.053 -13.839 10.540 701 HB2 LYS 91 HB2 LYS 91 2.411 -11.574 11.418 702 HB3 LYS 91 HB1 LYS 91 2.950 -11.702 9.750 703 HG2 LYS 91 HG2 LYS 91 1.257 -10.326 8.928 704 HG3 LYS 91 HG1 LYS 91 0.198 -10.593 10.311 705 HD2 LYS 91 HD2 LYS 91 2.802 -9.011 10.407 706 HD3 LYS 91 HD1 LYS 91 1.198 -8.292 10.208 707 HE2 LYS 91 HE2 LYS 91 0.532 -9.315 12.414 708 HE3 LYS 91 HE1 LYS 91 2.195 -9.873 12.610 709 HZ1 LYS 91 HZ1 LYS 91 2.940 -7.625 12.651 710 HZ2 LYS 91 HZ2 LYS 91 1.695 -7.808 13.780 711 HZ3 LYS 91 HZ3 LYS 91 1.387 -7.046 12.303 712 H GLY 92 HN GLY 92 -1.025 -12.414 9.703 713 HA2 GLY 92 HA2 GLY 92 -2.061 -12.193 12.402 714 HA3 GLY 92 HA1 GLY 92 -2.920 -11.887 10.900 715 H ALA 93 HN ALA 93 -1.726 -14.727 10.175 716 HA ALA 93 HA ALA 93 -2.518 -16.832 9.942 717 HB1 ALA 93 HB1 ALA 93 -3.401 -16.476 12.829 718 HB2 ALA 93 HB2 ALA 93 -1.816 -17.037 12.287 719 HB3 ALA 93 HB3 ALA 93 -3.250 -18.014 11.973 720 H LEU 94 HN LEU 94 -4.032 -14.952 8.853 721 HA LEU 94 HA LEU 94 -6.838 -15.117 9.585 722 HB2 LEU 94 HB2 LEU 94 -5.462 -13.694 7.263 723 HB3 LEU 94 HB1 LEU 94 -7.143 -13.479 7.742 724 HG LEU 94 HG LEU 94 -4.696 -12.693 9.394 725 HD11 LEU 94 HD11 LEU 94 -6.730 -10.936 7.978 726 HD12 LEU 94 HD12 LEU 94 -5.052 -11.199 7.493 727 HD13 LEU 94 HD13 LEU 94 -5.408 -10.379 9.008 728 HD21 LEU 94 HD21 LEU 94 -7.645 -12.323 10.069 729 HD22 LEU 94 HD22 LEU 94 -6.285 -11.671 10.987 730 HD23 LEU 94 HD23 LEU 94 -6.513 -13.412 10.880 731 H GLU 95 HN GLU 95 -5.310 -17.503 8.499 732 HA GLU 95 HA GLU 95 -6.377 -18.238 5.959 733 HB2 GLU 95 HB2 GLU 95 -4.252 -19.146 6.981 734 HB3 GLU 95 HB1 GLU 95 -5.222 -20.017 8.154 735 HG2 GLU 95 HG2 GLU 95 -4.637 -21.615 6.526 736 HG3 GLU 95 HG1 GLU 95 -6.317 -21.215 6.185 737 H HIS 96 HN HIS 96 -8.565 -17.679 6.379 738 HA HIS 96 HA HIS 96 -10.263 -19.863 7.046 739 HB2 HIS 96 HB2 HIS 96 -11.657 -18.591 8.767 740 HB3 HIS 96 HB1 HIS 96 -10.116 -19.198 9.341 741 HD1 HIS 96 HD1 HIS 96 -9.098 -17.606 10.907 742 HD2 HIS 96 HD2 HIS 96 -11.166 -15.608 7.910 743 HE1 HIS 96 HE1 HIS 96 -8.882 -15.171 11.457 744 HE2 HIS 96 HE2 HIS 96 -10.265 -13.992 9.717 745 H HIS 97 HN HIS 97 -9.879 -16.431 6.274 746 HA HIS 97 HA HIS 97 -12.086 -16.607 4.348 747 HB2 HIS 97 HB2 HIS 97 -11.865 -14.280 4.001 748 HB3 HIS 97 HB1 HIS 97 -11.511 -14.441 5.709 749 HD1 HIS 97 HD1 HIS 97 -8.882 -14.223 6.354 750 HD2 HIS 97 HD2 HIS 97 -9.920 -13.060 2.506 751 HE1 HIS 97 HE1 HIS 97 -6.911 -12.943 5.481 752 HE2 HIS 97 HE2 HIS 97 -7.632 -12.105 3.224 753 H HIS 98 HN HIS 98 -11.697 -17.315 2.319 754 HA HIS 98 HA HIS 98 -8.916 -17.452 1.279 755 HB2 HIS 98 HB2 HIS 98 -10.929 -19.667 0.738 756 HB3 HIS 98 HB1 HIS 98 -9.179 -19.707 0.553 757 HD1 HIS 98 HD1 HIS 98 -7.789 -19.992 2.843 758 HD2 HIS 98 HD2 HIS 98 -11.899 -20.545 3.136 759 HE1 HIS 98 HE1 HIS 98 -8.167 -21.127 5.049 760 HE2 HIS 98 HE2 HIS 98 -10.647 -21.535 5.165 761 H HIS 99 HN HIS 99 -11.638 -15.873 0.851 762 HA HIS 99 HA HIS 99 -13.212 -15.304 -0.645 763 HB2 HIS 99 HB2 HIS 99 -11.148 -16.112 -2.746 764 HB3 HIS 99 HB1 HIS 99 -12.629 -15.220 -3.083 765 HD1 HIS 99 HD1 HIS 99 -12.672 -12.720 -2.500 766 HD2 HIS 99 HD2 HIS 99 -9.102 -14.596 -1.493 767 HE1 HIS 99 HE1 HIS 99 -11.065 -10.865 -1.974 768 HE2 HIS 99 HE2 HIS 99 -8.986 -12.036 -1.189 769 H HIS 100 HN HIS 100 -14.338 -16.329 -2.871 770 HA HIS 100 HA HIS 100 -15.525 -17.972 -3.851 771 HB2 HIS 100 HB2 HIS 100 -13.595 -19.369 -4.130 772 HB3 HIS 100 HB1 HIS 100 -13.555 -19.802 -2.427 773 HD1 HIS 100 HD1 HIS 100 -14.843 -21.841 -1.715 774 HD2 HIS 100 HD2 HIS 100 -15.680 -20.701 -5.619 775 HE1 HIS 100 HE1 HIS 100 -16.255 -23.690 -2.664 776 HE2 HIS 100 HE2 HIS 100 -16.567 -23.062 -5.082 777 H HIS 101 HN HIS 101 -14.899 -19.322 -0.580 778 HA HIS 101 HA HIS 101 -17.466 -20.228 0.041 779 HB2 HIS 101 HB2 HIS 101 -15.578 -21.001 1.320 780 HB3 HIS 101 HB1 HIS 101 -15.119 -19.369 1.784 781 HD1 HIS 101 HD1 HIS 101 -16.414 -18.284 3.734 782 HD2 HIS 101 HD2 HIS 101 -17.577 -22.187 2.909 783 HE1 HIS 101 HE1 HIS 101 -17.765 -19.012 5.721 784 HE2 HIS 101 HE2 HIS 101 -18.275 -21.436 5.290 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -15.474 1.356 6.451 2 H2 MET 1 HT2 MET 1 -16.911 1.113 5.600 3 H3 MET 1 HT3 MET 1 -15.983 2.496 5.315 4 HA MET 1 HA MET 1 -15.138 -0.276 4.774 5 HB2 MET 1 HB2 MET 1 -15.976 1.908 2.811 6 HB3 MET 1 HB1 MET 1 -15.350 0.329 2.359 7 HG2 MET 1 HG2 MET 1 -17.757 0.390 2.079 8 HG3 MET 1 HG1 MET 1 -17.345 -0.729 3.383 9 HE1 MET 1 HE1 MET 1 -20.750 0.762 4.706 10 HE2 MET 1 HE2 MET 1 -19.851 -0.717 4.353 11 HE3 MET 1 HE3 MET 1 -20.356 0.344 3.036 12 H THR 2 HN THR 2 -13.199 0.150 5.914 13 HA THR 2 HA THR 2 -11.223 1.729 4.381 14 HB THR 2 HB THR 2 -10.012 2.037 6.641 15 HG1 THR 2 HG1 THR 2 -11.415 0.523 7.770 16 HG21 THR 2 HG21 THR 2 -11.284 4.044 7.274 17 HG22 THR 2 HG22 THR 2 -12.647 3.511 6.288 18 HG23 THR 2 HG23 THR 2 -11.116 3.940 5.519 19 H SER 3 HN SER 3 -10.504 -0.033 3.249 20 HA SER 3 HA SER 3 -9.655 -2.483 4.617 21 HB2 SER 3 HB2 SER 3 -10.997 -2.570 2.491 22 HB3 SER 3 HB1 SER 3 -9.668 -1.792 1.639 23 HG SER 3 HG SER 3 -9.959 -4.396 2.489 24 H THR 4 HN THR 4 -7.483 -3.312 3.153 25 HA THR 4 HA THR 4 -5.266 -2.108 4.302 26 HB THR 4 HB THR 4 -5.322 -3.718 1.703 27 HG1 THR 4 HG1 THR 4 -5.542 -5.428 2.962 28 HG21 THR 4 HG21 THR 4 -3.000 -4.358 2.307 29 HG22 THR 4 HG22 THR 4 -3.039 -3.239 3.669 30 HG23 THR 4 HG23 THR 4 -3.133 -2.620 2.019 31 H PHE 5 HN PHE 5 -6.565 -1.629 1.006 32 HA PHE 5 HA PHE 5 -4.669 0.159 -0.000 33 HB2 PHE 5 HB2 PHE 5 -6.208 -0.736 -1.578 34 HB3 PHE 5 HB1 PHE 5 -7.605 -0.266 -0.625 35 HD1 PHE 5 HD1 PHE 5 -4.718 1.314 -2.468 36 HD2 PHE 5 HD2 PHE 5 -8.824 1.643 -1.295 37 HE1 PHE 5 HE1 PHE 5 -4.922 3.414 -3.724 38 HE2 PHE 5 HE2 PHE 5 -9.010 3.746 -2.569 39 HZ PHE 5 HZ PHE 5 -7.058 4.625 -3.774 40 H ASP 6 HN ASP 6 -7.703 0.885 1.769 41 HA ASP 6 HA ASP 6 -7.576 3.690 1.769 42 HB2 ASP 6 HB2 ASP 6 -8.777 1.776 3.812 43 HB3 ASP 6 HB1 ASP 6 -8.929 3.525 3.953 44 H ARG 7 HN ARG 7 -6.274 1.329 4.074 45 HA ARG 7 HA ARG 7 -5.247 3.081 6.004 46 HB2 ARG 7 HB2 ARG 7 -4.492 0.234 5.226 47 HB3 ARG 7 HB1 ARG 7 -3.750 1.062 6.590 48 HG2 ARG 7 HG2 ARG 7 -6.725 0.526 6.316 49 HG3 ARG 7 HG1 ARG 7 -5.602 -0.482 7.235 50 HD2 ARG 7 HD2 ARG 7 -5.025 1.568 8.605 51 HD3 ARG 7 HD1 ARG 7 -6.336 2.412 7.776 52 HE ARG 7 HE ARG 7 -7.895 0.817 8.759 53 HH11 ARG 7 HH11 ARG 7 -4.692 0.869 10.200 54 HH12 ARG 7 HH12 ARG 7 -5.239 0.309 11.745 55 HH21 ARG 7 HH21 ARG 7 -8.615 0.070 10.801 56 HH22 ARG 7 HH22 ARG 7 -7.471 -0.145 12.087 57 H VAL 8 HN VAL 8 -3.750 1.656 3.097 58 HA VAL 8 HA VAL 8 -1.103 2.596 3.574 59 HB VAL 8 HB VAL 8 -2.475 1.630 1.016 60 HG11 VAL 8 HG11 VAL 8 -0.208 1.297 0.065 61 HG12 VAL 8 HG12 VAL 8 0.500 2.049 1.497 62 HG13 VAL 8 HG13 VAL 8 -0.517 2.999 0.413 63 HG21 VAL 8 HG21 VAL 8 -0.624 0.162 2.941 64 HG22 VAL 8 HG22 VAL 8 -1.312 -0.507 1.458 65 HG23 VAL 8 HG23 VAL 8 -2.369 -0.076 2.798 66 H ALA 9 HN ALA 9 -3.868 3.768 1.683 67 HA ALA 9 HA ALA 9 -2.711 5.992 0.422 68 HB1 ALA 9 HB1 ALA 9 -5.605 5.612 1.299 69 HB2 ALA 9 HB2 ALA 9 -4.917 5.074 -0.235 70 HB3 ALA 9 HB3 ALA 9 -5.038 6.800 0.120 71 H THR 10 HN THR 10 -4.379 5.678 3.526 72 HA THR 10 HA THR 10 -4.311 8.350 4.388 73 HB THR 10 HB THR 10 -4.359 5.797 6.077 74 HG1 THR 10 HG1 THR 10 -6.238 5.666 5.097 75 HG21 THR 10 HG21 THR 10 -5.444 7.172 7.828 76 HG22 THR 10 HG22 THR 10 -5.203 8.620 6.851 77 HG23 THR 10 HG23 THR 10 -3.810 7.749 7.489 78 H ILE 11 HN ILE 11 -2.023 5.659 5.062 79 HA ILE 11 HA ILE 11 -0.194 7.051 6.678 80 HB ILE 11 HB ILE 11 0.331 4.678 4.821 81 HG12 ILE 11 HG12 ILE 11 -0.178 4.677 7.834 82 HG13 ILE 11 HG11 ILE 11 -1.411 4.326 6.632 83 HG21 ILE 11 HG21 ILE 11 2.460 5.766 5.377 84 HG22 ILE 11 HG22 ILE 11 2.339 4.225 6.225 85 HG23 ILE 11 HG23 ILE 11 2.057 5.734 7.096 86 HD11 ILE 11 HD11 ILE 11 -0.534 2.305 7.645 87 HD12 ILE 11 HD12 ILE 11 1.094 2.705 7.100 88 HD13 ILE 11 HD13 ILE 11 -0.173 2.349 5.921 89 H ILE 12 HN ILE 12 -0.097 6.451 3.124 90 HA ILE 12 HA ILE 12 2.292 7.777 2.547 91 HB ILE 12 HB ILE 12 -0.165 7.277 0.808 92 HG12 ILE 12 HG12 ILE 12 2.568 5.920 0.916 93 HG13 ILE 12 HG11 ILE 12 1.053 5.244 1.494 94 HG21 ILE 12 HG21 ILE 12 2.506 8.367 -0.163 95 HG22 ILE 12 HG22 ILE 12 0.972 9.241 -0.149 96 HG23 ILE 12 HG23 ILE 12 1.176 7.838 -1.197 97 HD11 ILE 12 HD11 ILE 12 1.774 5.818 -1.382 98 HD12 ILE 12 HD12 ILE 12 0.223 5.184 -0.825 99 HD13 ILE 12 HD13 ILE 12 1.693 4.239 -0.600 100 H ALA 13 HN ALA 13 -1.060 8.993 2.392 101 HA ALA 13 HA ALA 13 -0.773 11.612 1.724 102 HB1 ALA 13 HB1 ALA 13 -2.938 10.515 2.060 103 HB2 ALA 13 HB2 ALA 13 -2.870 12.029 2.967 104 HB3 ALA 13 HB3 ALA 13 -2.674 10.487 3.805 105 H GLU 14 HN GLU 14 -0.582 10.338 5.042 106 HA GLU 14 HA GLU 14 -0.060 12.756 6.398 107 HB2 GLU 14 HB2 GLU 14 0.575 9.878 7.169 108 HB3 GLU 14 HB1 GLU 14 0.765 11.243 8.270 109 HG2 GLU 14 HG2 GLU 14 -1.635 11.701 8.151 110 HG3 GLU 14 HG1 GLU 14 -1.851 10.399 6.980 111 H THR 15 HN THR 15 2.087 10.520 4.731 112 HA THR 15 HA THR 15 4.509 11.723 5.857 113 HB THR 15 HB THR 15 4.453 9.552 3.712 114 HG1 THR 15 HG1 THR 15 3.468 8.351 5.148 115 HG21 THR 15 HG21 THR 15 6.416 10.190 5.946 116 HG22 THR 15 HG22 THR 15 6.663 10.537 4.232 117 HG23 THR 15 HG23 THR 15 6.570 8.865 4.793 118 H CYS 16 HN CYS 16 2.458 12.361 3.149 119 HA CYS 16 HA CYS 16 4.703 13.302 1.453 120 HB2 CYS 16 HB2 CYS 16 2.085 12.086 0.507 121 HB3 CYS 16 HB1 CYS 16 3.355 12.732 -0.535 122 HG CYS 16 HG CYS 16 3.825 10.128 1.615 123 H ASP 17 HN ASP 17 2.017 14.328 3.218 124 HA ASP 17 HA ASP 17 0.660 16.110 3.308 125 HB2 ASP 17 HB2 ASP 17 2.863 17.428 1.667 126 HB3 ASP 17 HB1 ASP 17 1.532 18.313 2.401 127 H ILE 18 HN ILE 18 -0.486 14.433 1.710 128 HA ILE 18 HA ILE 18 -1.538 15.972 -0.575 129 HB ILE 18 HB ILE 18 -1.527 13.916 -2.042 130 HG12 ILE 18 HG12 ILE 18 0.312 12.771 0.116 131 HG13 ILE 18 HG11 ILE 18 -1.287 12.171 -0.311 132 HG21 ILE 18 HG21 ILE 18 0.819 14.076 -2.754 133 HG22 ILE 18 HG22 ILE 18 1.244 14.880 -1.242 134 HG23 ILE 18 HG23 ILE 18 0.160 15.673 -2.388 135 HD11 ILE 18 HD11 ILE 18 0.416 10.733 -1.218 136 HD12 ILE 18 HD12 ILE 18 1.184 12.088 -2.041 137 HD13 ILE 18 HD13 ILE 18 -0.421 11.546 -2.541 138 HA PRO 19 HA PRO 19 -5.436 14.373 1.016 139 HB2 PRO 19 HB2 PRO 19 -7.094 14.732 -1.124 140 HB3 PRO 19 HB1 PRO 19 -6.462 16.087 -0.181 141 HG2 PRO 19 HG2 PRO 19 -5.513 15.003 -2.823 142 HG3 PRO 19 HG1 PRO 19 -5.721 16.694 -2.322 143 HD2 PRO 19 HD2 PRO 19 -3.284 15.418 -2.340 144 HD3 PRO 19 HD1 PRO 19 -3.675 16.752 -1.231 145 H ARG 20 HN ARG 20 -5.708 12.225 1.402 146 HA ARG 20 HA ARG 20 -4.741 10.184 -0.276 147 HB2 ARG 20 HB2 ARG 20 -5.678 8.583 1.362 148 HB3 ARG 20 HB1 ARG 20 -4.779 9.877 2.123 149 HG2 ARG 20 HG2 ARG 20 -6.588 9.652 3.557 150 HG3 ARG 20 HG1 ARG 20 -7.121 10.972 2.520 151 HD2 ARG 20 HD2 ARG 20 -8.479 9.370 1.205 152 HD3 ARG 20 HD1 ARG 20 -7.937 8.057 2.250 153 HE ARG 20 HE ARG 20 -9.207 8.960 4.029 154 HH11 ARG 20 HH11 ARG 20 -9.810 10.654 1.009 155 HH12 ARG 20 HH12 ARG 20 -11.314 11.328 1.547 156 HH21 ARG 20 HH21 ARG 20 -11.188 9.845 4.713 157 HH22 ARG 20 HH22 ARG 20 -12.098 10.860 3.638 158 H GLU 21 HN GLU 21 -7.715 11.803 -0.503 159 HA GLU 21 HA GLU 21 -9.376 9.683 -1.531 160 HB2 GLU 21 HB2 GLU 21 -10.952 11.514 -2.092 161 HB3 GLU 21 HB1 GLU 21 -10.359 11.652 -0.442 162 HG2 GLU 21 HG2 GLU 21 -8.724 13.380 -1.230 163 HG3 GLU 21 HG1 GLU 21 -9.469 13.307 -2.826 164 H THR 22 HN THR 22 -7.047 11.909 -2.889 165 HA THR 22 HA THR 22 -7.816 11.370 -5.677 166 HB THR 22 HB THR 22 -6.034 13.003 -6.273 167 HG1 THR 22 HG1 THR 22 -5.197 12.510 -3.767 168 HG21 THR 22 HG21 THR 22 -7.054 15.041 -5.315 169 HG22 THR 22 HG22 THR 22 -7.880 14.067 -4.096 170 HG23 THR 22 HG23 THR 22 -8.301 13.888 -5.802 171 H ILE 23 HN ILE 23 -6.057 9.807 -3.327 172 HA ILE 23 HA ILE 23 -3.966 8.697 -5.056 173 HB ILE 23 HB ILE 23 -4.652 8.387 -2.095 174 HG12 ILE 23 HG12 ILE 23 -2.281 9.069 -1.734 175 HG13 ILE 23 HG11 ILE 23 -2.033 9.157 -3.472 176 HG21 ILE 23 HG21 ILE 23 -2.870 6.692 -1.834 177 HG22 ILE 23 HG22 ILE 23 -2.679 6.623 -3.589 178 HG23 ILE 23 HG23 ILE 23 -4.194 6.110 -2.845 179 HD11 ILE 23 HD11 ILE 23 -3.830 10.910 -1.821 180 HD12 ILE 23 HD12 ILE 23 -3.646 11.004 -3.574 181 HD13 ILE 23 HD13 ILE 23 -2.274 11.341 -2.525 182 H THR 24 HN THR 24 -4.966 7.501 -6.574 183 HA THR 24 HA THR 24 -7.321 5.862 -6.017 184 HB THR 24 HB THR 24 -7.358 5.558 -8.513 185 HG1 THR 24 HG1 THR 24 -5.806 6.930 -9.694 186 HG21 THR 24 HG21 THR 24 -7.049 8.463 -7.652 187 HG22 THR 24 HG22 THR 24 -8.528 7.508 -7.524 188 HG23 THR 24 HG23 THR 24 -7.870 7.903 -9.114 189 HA PRO 25 HA PRO 25 -5.237 1.849 -5.899 190 HB2 PRO 25 HB2 PRO 25 -7.169 0.904 -8.015 191 HB3 PRO 25 HB1 PRO 25 -6.775 0.186 -6.444 192 HG2 PRO 25 HG2 PRO 25 -9.065 1.503 -6.753 193 HG3 PRO 25 HG1 PRO 25 -8.117 1.717 -5.262 194 HD2 PRO 25 HD2 PRO 25 -8.310 3.543 -7.667 195 HD3 PRO 25 HD1 PRO 25 -8.330 3.954 -5.935 196 H GLU 26 HN GLU 26 -5.701 3.489 -8.998 197 HA GLU 26 HA GLU 26 -3.776 1.729 -10.369 198 HB2 GLU 26 HB2 GLU 26 -4.566 2.842 -12.436 199 HB3 GLU 26 HB1 GLU 26 -5.897 2.119 -11.536 200 HG2 GLU 26 HG2 GLU 26 -6.481 4.360 -10.634 201 HG3 GLU 26 HG1 GLU 26 -5.180 5.074 -11.585 202 H SER 27 HN SER 27 -3.623 4.356 -8.436 203 HA SER 27 HA SER 27 -1.903 6.116 -9.954 204 HB2 SER 27 HB2 SER 27 -3.378 7.007 -8.169 205 HB3 SER 27 HB1 SER 27 -2.519 6.059 -6.959 206 HG SER 27 HG SER 27 -0.710 7.318 -7.279 207 H HIS 28 HN HIS 28 0.264 5.960 -10.127 208 HA HIS 28 HA HIS 28 1.767 3.935 -8.657 209 HB2 HIS 28 HB2 HIS 28 2.067 4.513 -11.152 210 HB3 HIS 28 HB1 HIS 28 2.868 5.985 -10.623 211 HD2 HIS 28 HD2 HIS 28 3.589 2.328 -11.289 212 HE1 HIS 28 HE1 HIS 28 7.015 3.912 -9.429 213 HE2 HIS 28 HE2 HIS 28 6.122 2.104 -10.936 214 H ALA 29 HN ALA 29 2.684 4.419 -6.705 215 HA ALA 29 HA ALA 29 2.746 6.746 -5.313 216 HB1 ALA 29 HB1 ALA 29 4.478 5.695 -3.920 217 HB2 ALA 29 HB2 ALA 29 4.809 4.520 -5.197 218 HB3 ALA 29 HB3 ALA 29 3.242 4.524 -4.385 219 H ILE 30 HN ILE 30 5.139 5.771 -7.771 220 HA ILE 30 HA ILE 30 6.949 7.961 -6.967 221 HB ILE 30 HB ILE 30 7.408 5.726 -8.998 222 HG12 ILE 30 HG12 ILE 30 8.474 6.041 -6.144 223 HG13 ILE 30 HG11 ILE 30 7.313 4.835 -6.693 224 HG21 ILE 30 HG21 ILE 30 9.387 7.788 -7.960 225 HG22 ILE 30 HG22 ILE 30 8.710 7.730 -9.589 226 HG23 ILE 30 HG23 ILE 30 9.776 6.442 -9.034 227 HD11 ILE 30 HD11 ILE 30 9.476 3.826 -6.407 228 HD12 ILE 30 HD12 ILE 30 10.225 5.010 -7.477 229 HD13 ILE 30 HD13 ILE 30 9.069 3.842 -8.122 230 H ASP 31 HN ASP 31 5.195 6.700 -9.801 231 HA ASP 31 HA ASP 31 6.184 8.733 -11.582 232 HB2 ASP 31 HB2 ASP 31 5.769 6.371 -12.289 233 HB3 ASP 31 HB1 ASP 31 4.044 6.609 -12.034 234 H ASP 32 HN ASP 32 3.185 8.212 -9.794 235 HA ASP 32 HA ASP 32 1.883 10.497 -11.150 236 HB2 ASP 32 HB2 ASP 32 0.730 8.255 -9.437 237 HB3 ASP 32 HB1 ASP 32 -0.209 9.667 -9.915 238 H LEU 33 HN LEU 33 2.331 9.217 -7.793 239 HA LEU 33 HA LEU 33 1.524 11.695 -6.589 240 HB2 LEU 33 HB2 LEU 33 2.929 9.323 -5.299 241 HB3 LEU 33 HB1 LEU 33 2.077 10.608 -4.454 242 HG LEU 33 HG LEU 33 0.815 8.507 -6.268 243 HD11 LEU 33 HD11 LEU 33 1.531 7.581 -4.114 244 HD12 LEU 33 HD12 LEU 33 -0.225 7.616 -4.247 245 HD13 LEU 33 HD13 LEU 33 0.606 8.819 -3.255 246 HD21 LEU 33 HD21 LEU 33 -0.556 10.730 -4.713 247 HD22 LEU 33 HD22 LEU 33 -1.365 9.428 -5.595 248 HD23 LEU 33 HD23 LEU 33 -0.405 10.616 -6.469 249 H GLY 34 HN GLY 34 4.442 10.755 -8.019 250 HA2 GLY 34 HA2 GLY 34 6.368 11.948 -8.371 251 HA3 GLY 34 HA1 GLY 34 5.645 13.276 -7.483 252 H ILE 35 HN ILE 35 6.254 10.034 -6.243 253 HA ILE 35 HA ILE 35 7.908 11.158 -4.066 254 HB ILE 35 HB ILE 35 6.489 8.464 -4.316 255 HG12 ILE 35 HG12 ILE 35 5.740 10.797 -2.498 256 HG13 ILE 35 HG11 ILE 35 4.965 10.481 -4.046 257 HG21 ILE 35 HG21 ILE 35 8.479 8.234 -2.930 258 HG22 ILE 35 HG22 ILE 35 7.037 8.145 -1.920 259 HG23 ILE 35 HG23 ILE 35 7.997 9.624 -1.951 260 HD11 ILE 35 HD11 ILE 35 4.159 8.325 -3.202 261 HD12 ILE 35 HD12 ILE 35 3.619 9.674 -2.202 262 HD13 ILE 35 HD13 ILE 35 4.937 8.646 -1.648 263 H ASP 36 HN ASP 36 10.106 10.850 -4.272 264 HA ASP 36 HA ASP 36 11.273 9.159 -6.259 265 HB2 ASP 36 HB2 ASP 36 12.289 11.311 -5.390 266 HB3 ASP 36 HB1 ASP 36 12.649 10.495 -3.872 267 H SER 37 HN SER 37 12.850 7.404 -5.757 268 HA SER 37 HA SER 37 11.679 5.301 -4.335 269 HB2 SER 37 HB2 SER 37 14.525 5.651 -5.359 270 HB3 SER 37 HB1 SER 37 13.859 4.122 -4.779 271 HG SER 37 HG SER 37 12.853 3.886 -6.602 272 H LEU 38 HN LEU 38 14.331 7.547 -3.333 273 HA LEU 38 HA LEU 38 14.911 6.030 -0.939 274 HB2 LEU 38 HB2 LEU 38 16.412 7.913 -0.293 275 HB3 LEU 38 HB1 LEU 38 16.768 7.204 -1.849 276 HG LEU 38 HG LEU 38 15.548 9.250 -2.879 277 HD11 LEU 38 HD11 LEU 38 14.423 10.131 -0.907 278 HD12 LEU 38 HD12 LEU 38 15.533 11.325 -1.570 279 HD13 LEU 38 HD13 LEU 38 15.975 10.421 -0.118 280 HD21 LEU 38 HD21 LEU 38 17.974 8.913 -2.999 281 HD22 LEU 38 HD22 LEU 38 18.175 9.688 -1.428 282 HD23 LEU 38 HD23 LEU 38 17.580 10.620 -2.804 283 H ASP 39 HN ASP 39 12.898 8.675 -1.836 284 HA ASP 39 HA ASP 39 12.179 9.618 0.757 285 HB2 ASP 39 HB2 ASP 39 11.948 10.921 -1.399 286 HB3 ASP 39 HB1 ASP 39 10.636 9.847 -1.876 287 H PHE 40 HN PHE 40 10.957 7.155 -1.452 288 HA PHE 40 HA PHE 40 8.516 6.654 -0.033 289 HB2 PHE 40 HB2 PHE 40 8.888 6.229 -2.542 290 HB3 PHE 40 HB1 PHE 40 9.791 4.789 -2.072 291 HD1 PHE 40 HD1 PHE 40 6.482 6.454 -1.504 292 HD2 PHE 40 HD2 PHE 40 8.578 2.738 -1.801 293 HE1 PHE 40 HE1 PHE 40 4.369 5.239 -1.236 294 HE2 PHE 40 HE2 PHE 40 6.445 1.527 -1.543 295 HZ PHE 40 HZ PHE 40 4.349 2.785 -1.255 296 H LEU 41 HN LEU 41 11.806 5.462 0.231 297 HA LEU 41 HA LEU 41 11.464 3.054 1.628 298 HB2 LEU 41 HB2 LEU 41 13.566 5.217 2.053 299 HB3 LEU 41 HB1 LEU 41 13.665 3.604 2.751 300 HG LEU 41 HG LEU 41 13.650 4.189 -0.242 301 HD11 LEU 41 HD11 LEU 41 16.033 3.653 -0.200 302 HD12 LEU 41 HD12 LEU 41 15.986 3.455 1.554 303 HD13 LEU 41 HD13 LEU 41 15.689 5.040 0.833 304 HD21 LEU 41 HD21 LEU 41 12.725 1.972 0.329 305 HD22 LEU 41 HD22 LEU 41 14.190 1.593 1.240 306 HD23 LEU 41 HD23 LEU 41 14.273 1.840 -0.504 307 H ASP 42 HN ASP 42 11.487 6.374 2.892 308 HA ASP 42 HA ASP 42 11.106 5.783 5.651 309 HB2 ASP 42 HB2 ASP 42 11.978 7.958 4.787 310 HB3 ASP 42 HB1 ASP 42 10.393 8.324 4.121 311 H ILE 43 HN ILE 43 8.867 6.441 3.001 312 HA ILE 43 HA ILE 43 6.448 6.550 4.515 313 HB ILE 43 HB ILE 43 6.760 5.781 1.571 314 HG12 ILE 43 HG12 ILE 43 6.471 8.558 2.810 315 HG13 ILE 43 HG11 ILE 43 7.898 7.931 2.002 316 HG21 ILE 43 HG21 ILE 43 4.445 6.626 1.314 317 HG22 ILE 43 HG22 ILE 43 4.362 6.950 3.047 318 HG23 ILE 43 HG23 ILE 43 4.516 5.291 2.466 319 HD11 ILE 43 HD11 ILE 43 5.237 8.527 0.737 320 HD12 ILE 43 HD12 ILE 43 6.633 7.845 -0.100 321 HD13 ILE 43 HD13 ILE 43 6.720 9.467 0.588 322 H ALA 44 HN ALA 44 8.221 3.993 2.900 323 HA ALA 44 HA ALA 44 6.223 1.943 3.147 324 HB1 ALA 44 HB1 ALA 44 7.858 1.915 1.309 325 HB2 ALA 44 HB2 ALA 44 7.966 0.445 2.282 326 HB3 ALA 44 HB3 ALA 44 9.173 1.721 2.471 327 H PHE 45 HN PHE 45 9.044 2.996 4.992 328 HA PHE 45 HA PHE 45 9.113 0.988 6.973 329 HB2 PHE 45 HB2 PHE 45 10.914 2.628 6.813 330 HB3 PHE 45 HB1 PHE 45 9.804 3.960 7.095 331 HD1 PHE 45 HD1 PHE 45 11.377 1.001 8.750 332 HD2 PHE 45 HD2 PHE 45 9.307 4.701 9.320 333 HE1 PHE 45 HE1 PHE 45 11.813 0.885 11.169 334 HE2 PHE 45 HE2 PHE 45 9.758 4.572 11.733 335 HZ PHE 45 HZ PHE 45 11.007 2.666 12.658 336 H ALA 46 HN ALA 46 7.214 3.956 6.649 337 HA ALA 46 HA ALA 46 5.909 3.891 9.165 338 HB1 ALA 46 HB1 ALA 46 5.004 5.191 6.564 339 HB2 ALA 46 HB2 ALA 46 6.060 5.916 7.777 340 HB3 ALA 46 HB3 ALA 46 4.382 5.557 8.178 341 H ILE 47 HN ILE 47 5.074 2.540 5.993 342 HA ILE 47 HA ILE 47 2.498 1.491 6.715 343 HB ILE 47 HB ILE 47 4.333 0.733 4.394 344 HG12 ILE 47 HG12 ILE 47 1.933 2.624 4.377 345 HG13 ILE 47 HG11 ILE 47 3.608 3.159 4.421 346 HG21 ILE 47 HG21 ILE 47 2.314 -0.204 3.329 347 HG22 ILE 47 HG22 ILE 47 1.381 0.142 4.785 348 HG23 ILE 47 HG23 ILE 47 2.697 -1.033 4.839 349 HD11 ILE 47 HD11 ILE 47 2.313 1.602 2.177 350 HD12 ILE 47 HD12 ILE 47 3.990 2.159 2.223 351 HD13 ILE 47 HD13 ILE 47 2.673 3.329 2.190 352 H ASP 48 HN ASP 48 5.701 0.075 6.292 353 HA ASP 48 HA ASP 48 5.450 -2.601 6.781 354 HB2 ASP 48 HB2 ASP 48 7.541 -1.515 6.141 355 HB3 ASP 48 HB1 ASP 48 7.594 -0.620 7.644 356 H LYS 49 HN LYS 49 6.077 -0.102 9.158 357 HA LYS 49 HA LYS 49 5.984 -1.793 11.454 358 HB2 LYS 49 HB2 LYS 49 7.399 0.249 11.206 359 HB3 LYS 49 HB1 LYS 49 5.946 1.236 11.225 360 HG2 LYS 49 HG2 LYS 49 5.504 0.621 13.541 361 HG3 LYS 49 HG1 LYS 49 6.860 -0.512 13.528 362 HD2 LYS 49 HD2 LYS 49 7.508 1.570 14.665 363 HD3 LYS 49 HD1 LYS 49 8.439 1.368 13.177 364 HE2 LYS 49 HE2 LYS 49 7.728 3.694 13.427 365 HE3 LYS 49 HE1 LYS 49 6.930 2.971 12.034 366 HZ1 LYS 49 HZ1 LYS 49 5.716 3.365 14.712 367 HZ2 LYS 49 HZ2 LYS 49 4.943 2.675 13.372 368 HZ3 LYS 49 HZ3 LYS 49 5.416 4.298 13.336 369 H ALA 50 HN ALA 50 3.663 0.436 9.919 370 HA ALA 50 HA ALA 50 1.700 0.481 11.958 371 HB1 ALA 50 HB1 ALA 50 0.176 1.339 10.227 372 HB2 ALA 50 HB2 ALA 50 1.316 0.856 8.965 373 HB3 ALA 50 HB3 ALA 50 1.756 2.116 10.119 374 H PHE 51 HN PHE 51 2.167 -1.693 9.212 375 HA PHE 51 HA PHE 51 -0.172 -3.323 9.891 376 HB2 PHE 51 HB2 PHE 51 1.777 -3.362 7.560 377 HB3 PHE 51 HB1 PHE 51 0.612 -4.652 7.819 378 HD1 PHE 51 HD2 PHE 51 0.995 -1.088 6.892 379 HD2 PHE 51 HD1 PHE 51 -1.759 -4.323 7.402 380 HE1 PHE 51 HE2 PHE 51 -0.717 0.159 5.638 381 HE2 PHE 51 HE1 PHE 51 -3.457 -3.066 6.147 382 HZ PHE 51 HZ PHE 51 -2.935 -0.838 5.260 383 H GLY 52 HN GLY 52 3.039 -3.211 10.871 384 HA2 GLY 52 HA2 GLY 52 4.364 -4.605 12.108 385 HA3 GLY 52 HA1 GLY 52 2.922 -5.546 12.440 386 H ILE 53 HN ILE 53 4.318 -4.972 9.280 387 HA ILE 53 HA ILE 53 5.090 -7.821 8.978 388 HB ILE 53 HB ILE 53 4.539 -7.598 6.540 389 HG12 ILE 53 HG12 ILE 53 3.129 -4.994 7.321 390 HG13 ILE 53 HG11 ILE 53 4.678 -5.051 6.492 391 HG21 ILE 53 HG21 ILE 53 2.962 -8.697 8.053 392 HG22 ILE 53 HG22 ILE 53 2.103 -7.832 6.778 393 HG23 ILE 53 HG23 ILE 53 2.187 -7.148 8.403 394 HD11 ILE 53 HD11 ILE 53 2.081 -6.147 5.426 395 HD12 ILE 53 HD12 ILE 53 3.638 -6.142 4.589 396 HD13 ILE 53 HD13 ILE 53 2.835 -4.619 4.972 397 H LYS 54 HN LYS 54 6.689 -8.078 7.122 398 HA LYS 54 HA LYS 54 8.636 -5.863 7.104 399 HB2 LYS 54 HB2 LYS 54 9.423 -8.097 8.009 400 HB3 LYS 54 HB1 LYS 54 9.151 -8.792 6.419 401 HG2 LYS 54 HG2 LYS 54 11.521 -8.271 6.729 402 HG3 LYS 54 HG1 LYS 54 10.826 -7.273 5.443 403 HD2 LYS 54 HD2 LYS 54 10.644 -5.360 6.989 404 HD3 LYS 54 HD1 LYS 54 11.269 -6.340 8.317 405 HE2 LYS 54 HE2 LYS 54 13.432 -6.551 7.137 406 HE3 LYS 54 HE1 LYS 54 12.793 -5.593 5.800 407 HZ1 LYS 54 HZ1 LYS 54 12.521 -3.729 7.315 408 HZ2 LYS 54 HZ2 LYS 54 14.128 -4.253 7.290 409 HZ3 LYS 54 HZ3 LYS 54 13.127 -4.651 8.595 410 H LEU 55 HN LEU 55 7.917 -4.634 5.434 411 HA LEU 55 HA LEU 55 7.356 -5.631 2.813 412 HB2 LEU 55 HB2 LEU 55 8.036 -2.849 3.840 413 HB3 LEU 55 HB1 LEU 55 7.707 -3.178 2.144 414 HG LEU 55 HG LEU 55 5.736 -3.575 4.437 415 HD11 LEU 55 HD11 LEU 55 5.774 -1.494 2.222 416 HD12 LEU 55 HD12 LEU 55 6.097 -1.206 3.935 417 HD13 LEU 55 HD13 LEU 55 4.492 -1.714 3.418 418 HD21 LEU 55 HD21 LEU 55 5.422 -5.264 2.667 419 HD22 LEU 55 HD22 LEU 55 5.317 -3.989 1.449 420 HD23 LEU 55 HD23 LEU 55 4.089 -4.117 2.708 421 HA PRO 56 HA PRO 56 11.814 -6.009 1.777 422 HB2 PRO 56 HB2 PRO 56 10.911 -7.384 -0.680 423 HB3 PRO 56 HB1 PRO 56 11.836 -8.037 0.678 424 HG2 PRO 56 HG2 PRO 56 9.261 -8.776 0.164 425 HG3 PRO 56 HG1 PRO 56 9.933 -8.735 1.807 426 HD2 PRO 56 HD2 PRO 56 8.215 -6.670 0.420 427 HD3 PRO 56 HD1 PRO 56 8.069 -7.337 2.063 428 H LEU 57 HN LEU 57 10.724 -3.534 1.442 429 HA LEU 57 HA LEU 57 10.146 -2.692 -1.205 430 HB2 LEU 57 HB2 LEU 57 9.561 -1.557 1.074 431 HB3 LEU 57 HB1 LEU 57 11.158 -0.858 1.004 432 HG LEU 57 HG LEU 57 9.411 0.727 0.293 433 HD11 LEU 57 HD11 LEU 57 11.603 1.085 -0.649 434 HD12 LEU 57 HD12 LEU 57 10.339 1.590 -1.765 435 HD13 LEU 57 HD13 LEU 57 11.200 0.070 -2.034 436 HD21 LEU 57 HD21 LEU 57 8.115 0.443 -1.732 437 HD22 LEU 57 HD22 LEU 57 7.796 -0.858 -0.590 438 HD23 LEU 57 HD23 LEU 57 8.829 -1.150 -1.993 439 H GLU 58 HN GLU 58 13.086 -2.603 0.789 440 HA GLU 58 HA GLU 58 14.754 -1.202 -1.015 441 HB2 GLU 58 HB2 GLU 58 16.648 -2.052 0.319 442 HB3 GLU 58 HB1 GLU 58 15.359 -1.475 1.362 443 HG2 GLU 58 HG2 GLU 58 14.657 -3.761 1.828 444 HG3 GLU 58 HG1 GLU 58 15.850 -4.388 0.699 445 H LYS 59 HN LYS 59 13.939 -4.632 -0.669 446 HA LYS 59 HA LYS 59 15.835 -5.581 -2.593 447 HB2 LYS 59 HB2 LYS 59 14.869 -7.100 -0.858 448 HB3 LYS 59 HB1 LYS 59 13.287 -6.970 -1.626 449 HG2 LYS 59 HG2 LYS 59 14.085 -8.099 -3.619 450 HG3 LYS 59 HG1 LYS 59 15.755 -8.038 -3.045 451 HD2 LYS 59 HD2 LYS 59 15.093 -9.532 -1.134 452 HD3 LYS 59 HD1 LYS 59 13.481 -9.673 -1.850 453 HE2 LYS 59 HE2 LYS 59 14.429 -10.716 -3.849 454 HE3 LYS 59 HE1 LYS 59 16.068 -10.473 -3.237 455 HZ1 LYS 59 HZ1 LYS 59 13.994 -12.192 -1.984 456 HZ2 LYS 59 HZ2 LYS 59 15.569 -11.958 -1.417 457 HZ3 LYS 59 HZ3 LYS 59 15.313 -12.730 -2.897 458 H TRP 60 HN TRP 60 12.445 -4.564 -2.701 459 HA TRP 60 HA TRP 60 11.848 -5.292 -5.376 460 HB2 TRP 60 HB2 TRP 60 10.629 -3.155 -3.582 461 HB3 TRP 60 HB1 TRP 60 9.985 -3.568 -5.172 462 HD1 TRP 60 HD1 TRP 60 10.616 -6.865 -4.421 463 HE1 TRP 60 HE1 TRP 60 8.769 -8.023 -3.077 464 HE3 TRP 60 HE3 TRP 60 8.235 -2.741 -2.562 465 HZ2 TRP 60 HZ2 TRP 60 6.592 -7.309 -1.445 466 HZ3 TRP 60 HZ3 TRP 60 6.276 -3.061 -1.111 467 HH2 TRP 60 HH2 TRP 60 5.467 -5.302 -0.563 468 H THR 61 HN THR 61 13.281 -2.445 -3.927 469 HA THR 61 HA THR 61 13.501 -0.779 -6.191 470 HB THR 61 HB THR 61 15.386 -0.974 -3.795 471 HG1 THR 61 HG1 THR 61 12.904 -0.525 -3.638 472 HG21 THR 61 HG21 THR 61 15.893 1.400 -4.229 473 HG22 THR 61 HG22 THR 61 14.829 1.393 -5.636 474 HG23 THR 61 HG23 THR 61 16.305 0.425 -5.643 475 H GLN 62 HN GLN 62 15.562 -3.366 -4.850 476 HA GLN 62 HA GLN 62 17.741 -3.046 -6.681 477 HB2 GLN 62 HB2 GLN 62 16.994 -5.236 -4.696 478 HB3 GLN 62 HB1 GLN 62 18.462 -5.290 -5.670 479 HG2 GLN 62 HG2 GLN 62 19.316 -3.288 -4.603 480 HG3 GLN 62 HG1 GLN 62 17.802 -3.043 -3.739 481 HE21 GLN 62 HE21 GLN 62 17.362 -4.314 -1.913 482 HE22 GLN 62 HE22 GLN 62 18.558 -5.291 -1.146 483 H GLU 63 HN GLU 63 14.811 -5.070 -6.569 484 HA GLU 63 HA GLU 63 15.303 -6.838 -8.649 485 HB2 GLU 63 HB2 GLU 63 12.617 -5.582 -7.896 486 HB3 GLU 63 HB1 GLU 63 12.819 -7.001 -8.917 487 HG2 GLU 63 HG2 GLU 63 13.480 -6.794 -5.967 488 HG3 GLU 63 HG1 GLU 63 12.102 -7.622 -6.675 489 H VAL 64 HN VAL 64 13.630 -3.705 -8.764 490 HA VAL 64 HA VAL 64 13.331 -3.548 -11.558 491 HB VAL 64 HB VAL 64 13.550 -1.175 -9.652 492 HG11 VAL 64 HG11 VAL 64 13.737 -0.499 -12.010 493 HG12 VAL 64 HG12 VAL 64 12.187 0.032 -11.354 494 HG13 VAL 64 HG13 VAL 64 12.261 -1.386 -12.404 495 HG21 VAL 64 HG21 VAL 64 11.072 -1.283 -9.495 496 HG22 VAL 64 HG22 VAL 64 11.820 -2.760 -8.878 497 HG23 VAL 64 HG23 VAL 64 11.072 -2.751 -10.477 498 H ASN 65 HN ASN 65 15.986 -2.463 -9.463 499 HA ASN 65 HA ASN 65 17.613 -1.154 -11.359 500 HB2 ASN 65 HB2 ASN 65 18.394 -2.673 -8.825 501 HB3 ASN 65 HB1 ASN 65 19.536 -1.719 -9.771 502 HD21 ASN 65 HD21 ASN 65 18.645 -1.395 -7.002 503 HD22 ASN 65 HD22 ASN 65 18.002 0.203 -6.888 504 H ASP 66 HN ASP 66 17.489 -4.628 -10.423 505 HA ASP 66 HA ASP 66 19.595 -5.332 -12.306 506 HB2 ASP 66 HB2 ASP 66 19.433 -6.345 -10.010 507 HB3 ASP 66 HB1 ASP 66 17.893 -7.071 -10.451 508 H GLY 67 HN GLY 67 16.474 -4.558 -12.803 509 HA2 GLY 67 HA2 GLY 67 14.956 -4.934 -14.462 510 HA3 GLY 67 HA1 GLY 67 16.195 -5.864 -15.283 511 H LYS 68 HN LYS 68 15.339 -6.993 -12.146 512 HA LYS 68 HA LYS 68 14.294 -9.489 -12.936 513 HB2 LYS 68 HB2 LYS 68 13.807 -8.025 -10.313 514 HB3 LYS 68 HB1 LYS 68 13.588 -9.752 -10.572 515 HG2 LYS 68 HG2 LYS 68 16.314 -8.526 -11.005 516 HG3 LYS 68 HG1 LYS 68 15.741 -8.772 -9.359 517 HD2 LYS 68 HD2 LYS 68 17.090 -10.668 -9.936 518 HD3 LYS 68 HD1 LYS 68 15.412 -11.214 -9.906 519 HE2 LYS 68 HE2 LYS 68 15.338 -11.114 -12.369 520 HE3 LYS 68 HE1 LYS 68 17.004 -10.533 -12.403 521 HZ1 LYS 68 HZ1 LYS 68 16.889 -12.881 -12.839 522 HZ2 LYS 68 HZ2 LYS 68 16.096 -13.153 -11.372 523 HZ3 LYS 68 HZ3 LYS 68 17.694 -12.605 -11.377 524 H ALA 69 HN ALA 69 12.777 -6.441 -12.103 525 HA ALA 69 HA ALA 69 10.237 -7.117 -13.341 526 HB1 ALA 69 HB1 ALA 69 9.919 -7.993 -11.041 527 HB2 ALA 69 HB2 ALA 69 8.883 -6.597 -11.337 528 HB3 ALA 69 HB3 ALA 69 10.352 -6.415 -10.375 529 H THR 70 HN THR 70 8.739 -5.111 -13.095 530 HA THR 70 HA THR 70 10.316 -2.632 -13.420 531 HB THR 70 HB THR 70 8.247 -1.817 -14.664 532 HG1 THR 70 HG1 THR 70 6.606 -3.175 -15.025 533 HG21 THR 70 HG21 THR 70 10.209 -2.623 -15.941 534 HG22 THR 70 HG22 THR 70 8.702 -3.058 -16.749 535 HG23 THR 70 HG23 THR 70 9.596 -4.279 -15.843 536 H THR 71 HN THR 71 9.027 -0.606 -12.801 537 HA THR 71 HA THR 71 8.990 -0.645 -10.005 538 HB THR 71 HB THR 71 8.138 1.746 -10.172 539 HG1 THR 71 HG1 THR 71 8.212 2.521 -12.474 540 HG21 THR 71 HG21 THR 71 10.152 2.667 -11.261 541 HG22 THR 71 HG22 THR 71 10.499 1.082 -11.955 542 HG23 THR 71 HG23 THR 71 10.559 1.307 -10.207 543 H GLU 72 HN GLU 72 6.242 -0.272 -12.273 544 HA GLU 72 HA GLU 72 4.245 0.421 -10.538 545 HB2 GLU 72 HB2 GLU 72 2.599 -0.317 -12.187 546 HB3 GLU 72 HB1 GLU 72 3.935 0.503 -12.974 547 HG2 GLU 72 HG2 GLU 72 4.036 -2.488 -12.836 548 HG3 GLU 72 HG1 GLU 72 2.843 -1.771 -13.908 549 H GLN 73 HN GLN 73 5.369 -2.830 -11.176 550 HA GLN 73 HA GLN 73 3.309 -4.391 -10.157 551 HB2 GLN 73 HB2 GLN 73 6.287 -4.988 -10.037 552 HB3 GLN 73 HB1 GLN 73 4.994 -6.179 -9.909 553 HG2 GLN 73 HG2 GLN 73 4.307 -5.686 -12.224 554 HG3 GLN 73 HG1 GLN 73 5.588 -4.476 -12.349 555 HE21 GLN 73 HE21 GLN 73 6.639 -5.518 -14.028 556 HE22 GLN 73 HE22 GLN 73 7.474 -7.019 -13.851 557 H TYR 74 HN TYR 74 5.773 -2.646 -8.409 558 HA TYR 74 HA TYR 74 4.738 -3.652 -5.816 559 HB2 TYR 74 HB2 TYR 74 7.450 -2.346 -6.335 560 HB3 TYR 74 HB1 TYR 74 6.938 -3.205 -4.885 561 HD1 TYR 74 HD2 TYR 74 6.063 -5.738 -5.433 562 HD2 TYR 74 HD1 TYR 74 8.905 -3.530 -7.739 563 HE1 TYR 74 HE2 TYR 74 6.935 -7.837 -6.356 564 HE2 TYR 74 HE1 TYR 74 9.784 -5.627 -8.666 565 HH TYR 74 HH TYR 74 8.179 -8.586 -8.400 566 H PHE 75 HN PHE 75 5.164 -0.755 -7.792 567 HA PHE 75 HA PHE 75 4.857 0.996 -5.429 568 HB2 PHE 75 HB2 PHE 75 6.267 1.490 -8.088 569 HB3 PHE 75 HB1 PHE 75 6.039 2.718 -6.849 570 HD1 PHE 75 HD2 PHE 75 7.127 2.358 -4.556 571 HD2 PHE 75 HD1 PHE 75 8.167 0.007 -7.971 572 HE1 PHE 75 HE2 PHE 75 9.233 1.703 -3.479 573 HE2 PHE 75 HE1 PHE 75 10.272 -0.649 -6.880 574 HZ PHE 75 HZ PHE 75 10.808 0.202 -4.629 575 H VAL 76 HN VAL 76 2.783 -0.265 -7.459 576 HA VAL 76 HA VAL 76 1.216 2.264 -7.731 577 HB VAL 76 HB VAL 76 0.753 -0.464 -9.035 578 HG11 VAL 76 HG11 VAL 76 -1.111 1.940 -9.140 579 HG12 VAL 76 HG12 VAL 76 -1.442 0.409 -8.326 580 HG13 VAL 76 HG13 VAL 76 -1.286 0.454 -10.083 581 HG21 VAL 76 HG21 VAL 76 0.927 0.753 -11.154 582 HG22 VAL 76 HG22 VAL 76 2.381 0.989 -10.182 583 HG23 VAL 76 HG23 VAL 76 1.173 2.269 -10.281 584 H LEU 77 HN LEU 77 -0.748 2.400 -6.622 585 HA LEU 77 HA LEU 77 -0.660 1.476 -4.015 586 HB2 LEU 77 HB2 LEU 77 -2.665 2.985 -5.648 587 HB3 LEU 77 HB1 LEU 77 -3.235 2.325 -4.134 588 HG LEU 77 HG LEU 77 -2.541 4.663 -3.895 589 HD11 LEU 77 HD11 LEU 77 -0.762 2.760 -2.350 590 HD12 LEU 77 HD12 LEU 77 -2.427 3.204 -1.959 591 HD13 LEU 77 HD13 LEU 77 -1.161 4.424 -1.903 592 HD21 LEU 77 HD21 LEU 77 0.260 3.745 -4.631 593 HD22 LEU 77 HD22 LEU 77 -0.190 5.347 -4.033 594 HD23 LEU 77 HD23 LEU 77 -0.793 4.791 -5.589 595 H LYS 78 HN LYS 78 -2.642 0.140 -6.678 596 HA LYS 78 HA LYS 78 -4.183 -1.670 -5.094 597 HB2 LYS 78 HB2 LYS 78 -4.672 -2.863 -7.231 598 HB3 LYS 78 HB1 LYS 78 -4.862 -1.121 -7.410 599 HG2 LYS 78 HG2 LYS 78 -2.735 -0.940 -8.546 600 HG3 LYS 78 HG1 LYS 78 -2.376 -2.636 -8.246 601 HD2 LYS 78 HD2 LYS 78 -4.279 -3.266 -9.722 602 HD3 LYS 78 HD1 LYS 78 -4.558 -1.553 -10.063 603 HE2 LYS 78 HE2 LYS 78 -2.299 -1.373 -11.052 604 HE3 LYS 78 HE1 LYS 78 -1.987 -3.069 -10.671 605 HZ1 LYS 78 HZ1 LYS 78 -3.804 -3.679 -12.144 606 HZ2 LYS 78 HZ2 LYS 78 -2.606 -2.807 -12.962 607 HZ3 LYS 78 HZ3 LYS 78 -4.055 -2.054 -12.527 608 H ASN 79 HN ASN 79 -1.062 -1.909 -6.684 609 HA ASN 79 HA ASN 79 -0.704 -4.746 -6.397 610 HB2 ASN 79 HB2 ASN 79 1.167 -2.489 -7.266 611 HB3 ASN 79 HB1 ASN 79 1.603 -4.194 -7.315 612 HD21 ASN 79 HD21 ASN 79 1.321 -2.202 -9.482 613 HD22 ASN 79 HD22 ASN 79 0.239 -2.915 -10.617 614 H LEU 80 HN LEU 80 0.683 -1.863 -4.964 615 HA LEU 80 HA LEU 80 2.452 -2.917 -3.109 616 HB2 LEU 80 HB2 LEU 80 2.368 -0.522 -3.779 617 HB3 LEU 80 HB1 LEU 80 0.808 -0.348 -2.995 618 HG LEU 80 HG LEU 80 1.905 -0.811 -0.786 619 HD11 LEU 80 HD11 LEU 80 3.850 -2.090 -1.507 620 HD12 LEU 80 HD12 LEU 80 4.349 -0.683 -0.572 621 HD13 LEU 80 HD13 LEU 80 4.511 -0.672 -2.330 622 HD21 LEU 80 HD21 LEU 80 2.936 1.405 -0.549 623 HD22 LEU 80 HD22 LEU 80 1.447 1.485 -1.486 624 HD23 LEU 80 HD23 LEU 80 3.008 1.570 -2.305 625 H ALA 81 HN ALA 81 -0.954 -1.849 -2.689 626 HA ALA 81 HA ALA 81 -1.244 -2.683 0.009 627 HB1 ALA 81 HB1 ALA 81 -3.656 -2.339 -0.309 628 HB2 ALA 81 HB2 ALA 81 -3.421 -2.250 -2.059 629 HB3 ALA 81 HB3 ALA 81 -2.728 -1.012 -1.010 630 H ALA 82 HN ALA 82 -1.589 -4.397 -3.033 631 HA ALA 82 HA ALA 82 -2.855 -6.748 -2.041 632 HB1 ALA 82 HB1 ALA 82 -2.082 -7.817 -4.116 633 HB2 ALA 82 HB2 ALA 82 -1.023 -6.445 -4.450 634 HB3 ALA 82 HB3 ALA 82 -2.776 -6.231 -4.452 635 H ARG 83 HN ARG 83 0.585 -5.856 -2.571 636 HA ARG 83 HA ARG 83 1.810 -8.210 -1.667 637 HB2 ARG 83 HB2 ARG 83 2.885 -5.374 -1.317 638 HB3 ARG 83 HB1 ARG 83 3.832 -6.851 -1.227 639 HG2 ARG 83 HG2 ARG 83 2.606 -5.582 -3.691 640 HG3 ARG 83 HG1 ARG 83 4.308 -5.816 -3.325 641 HD2 ARG 83 HD2 ARG 83 3.927 -7.508 -4.879 642 HD3 ARG 83 HD1 ARG 83 3.693 -8.381 -3.364 643 HE ARG 83 HE ARG 83 1.479 -7.317 -5.029 644 HH11 ARG 83 HH11 ARG 83 2.690 -9.856 -2.906 645 HH12 ARG 83 HH12 ARG 83 1.310 -10.875 -3.180 646 HH21 ARG 83 HH21 ARG 83 -0.292 -8.670 -5.349 647 HH22 ARG 83 HH22 ARG 83 -0.354 -10.207 -4.541 648 H ILE 84 HN ILE 84 0.907 -5.285 0.047 649 HA ILE 84 HA ILE 84 1.927 -5.860 2.597 650 HB ILE 84 HB ILE 84 -0.318 -4.013 1.677 651 HG12 ILE 84 HG12 ILE 84 2.519 -3.269 2.494 652 HG13 ILE 84 HG11 ILE 84 2.082 -3.636 0.833 653 HG21 ILE 84 HG21 ILE 84 -0.118 -2.800 3.812 654 HG22 ILE 84 HG22 ILE 84 1.011 -4.017 4.407 655 HG23 ILE 84 HG23 ILE 84 -0.661 -4.461 4.062 656 HD11 ILE 84 HD11 ILE 84 0.565 -1.749 0.796 657 HD12 ILE 84 HD12 ILE 84 2.196 -1.259 1.253 658 HD13 ILE 84 HD13 ILE 84 0.944 -1.396 2.484 659 H ASP 85 HN ASP 85 -1.392 -6.124 1.289 660 HA ASP 85 HA ASP 85 -2.709 -7.068 3.568 661 HB2 ASP 85 HB2 ASP 85 -3.892 -6.210 1.579 662 HB3 ASP 85 HB1 ASP 85 -3.351 -7.592 0.638 663 H GLU 86 HN GLU 86 -1.164 -8.858 0.920 664 HA GLU 86 HA GLU 86 -1.887 -11.462 1.873 665 HB2 GLU 86 HB2 GLU 86 0.191 -10.624 -0.190 666 HB3 GLU 86 HB1 GLU 86 -0.201 -12.302 0.180 667 HG2 GLU 86 HG2 GLU 86 -2.639 -11.645 -0.411 668 HG3 GLU 86 HG1 GLU 86 -1.927 -10.211 -1.153 669 H LEU 87 HN LEU 87 0.963 -9.387 2.383 670 HA LEU 87 HA LEU 87 2.483 -11.317 3.827 671 HB2 LEU 87 HB2 LEU 87 2.515 -8.278 3.998 672 HB3 LEU 87 HB1 LEU 87 3.656 -9.310 4.852 673 HG LEU 87 HG LEU 87 3.382 -9.053 1.830 674 HD11 LEU 87 HD11 LEU 87 5.593 -8.029 1.884 675 HD12 LEU 87 HD12 LEU 87 5.643 -8.158 3.645 676 HD13 LEU 87 HD13 LEU 87 4.455 -7.110 2.865 677 HD21 LEU 87 HD21 LEU 87 5.298 -10.795 3.413 678 HD22 LEU 87 HD22 LEU 87 5.338 -10.536 1.667 679 HD23 LEU 87 HD23 LEU 87 3.963 -11.353 2.398 680 H VAL 88 HN VAL 88 -0.001 -8.973 4.828 681 HA VAL 88 HA VAL 88 0.223 -9.463 7.656 682 HB VAL 88 HB VAL 88 -2.180 -8.269 6.172 683 HG11 VAL 88 HG11 VAL 88 -1.348 -7.987 9.088 684 HG12 VAL 88 HG12 VAL 88 -2.689 -8.966 8.494 685 HG13 VAL 88 HG13 VAL 88 -2.742 -7.211 8.330 686 HG21 VAL 88 HG21 VAL 88 -1.260 -6.044 6.648 687 HG22 VAL 88 HG22 VAL 88 -0.108 -6.978 5.696 688 HG23 VAL 88 HG23 VAL 88 0.151 -6.767 7.424 689 H ALA 89 HN ALA 89 -1.571 -10.843 4.998 690 HA ALA 89 HA ALA 89 -3.311 -12.532 6.535 691 HB1 ALA 89 HB1 ALA 89 -3.923 -11.775 4.279 692 HB2 ALA 89 HB2 ALA 89 -3.900 -13.536 4.373 693 HB3 ALA 89 HB3 ALA 89 -2.569 -12.677 3.590 694 H ALA 90 HN ALA 90 -0.155 -12.935 4.951 695 HA ALA 90 HA ALA 90 0.120 -15.739 5.214 696 HB1 ALA 90 HB1 ALA 90 2.509 -15.351 4.746 697 HB2 ALA 90 HB2 ALA 90 2.293 -13.622 5.034 698 HB3 ALA 90 HB3 ALA 90 1.491 -14.395 3.666 699 H LYS 91 HN LYS 91 0.910 -13.026 7.334 700 HA LYS 91 HA LYS 91 2.029 -14.757 9.415 701 HB2 LYS 91 HB2 LYS 91 2.509 -12.764 10.667 702 HB3 LYS 91 HB1 LYS 91 2.937 -12.422 8.993 703 HG2 LYS 91 HG2 LYS 91 1.110 -10.964 8.679 704 HG3 LYS 91 HG1 LYS 91 0.239 -11.599 10.072 705 HD2 LYS 91 HD2 LYS 91 1.949 -10.575 11.569 706 HD3 LYS 91 HD1 LYS 91 2.734 -9.862 10.156 707 HE2 LYS 91 HE2 LYS 91 0.744 -8.540 9.675 708 HE3 LYS 91 HE1 LYS 91 -0.140 -9.329 10.982 709 HZ1 LYS 91 HZ1 LYS 91 1.214 -8.318 12.579 710 HZ2 LYS 91 HZ2 LYS 91 0.790 -7.092 11.494 711 HZ3 LYS 91 HZ3 LYS 91 2.330 -7.783 11.433 712 H GLY 92 HN GLY 92 -0.961 -13.468 8.372 713 HA2 GLY 92 HA2 GLY 92 -2.388 -13.242 10.829 714 HA3 GLY 92 HA1 GLY 92 -3.074 -13.259 9.214 715 H ALA 93 HN ALA 93 -1.505 -15.937 8.902 716 HA ALA 93 HA ALA 93 -3.419 -17.854 9.682 717 HB1 ALA 93 HB1 ALA 93 -1.620 -19.500 9.199 718 HB2 ALA 93 HB2 ALA 93 -0.443 -18.184 9.160 719 HB3 ALA 93 HB3 ALA 93 -1.720 -18.260 7.945 720 H LEU 94 HN LEU 94 -0.565 -16.534 11.248 721 HA LEU 94 HA LEU 94 -0.855 -18.094 13.701 722 HB2 LEU 94 HB2 LEU 94 1.389 -17.581 12.698 723 HB3 LEU 94 HB1 LEU 94 1.097 -15.871 12.969 724 HG LEU 94 HG LEU 94 1.068 -16.275 15.432 725 HD11 LEU 94 HD11 LEU 94 1.792 -18.418 16.366 726 HD12 LEU 94 HD12 LEU 94 1.793 -19.143 14.757 727 HD13 LEU 94 HD13 LEU 94 0.279 -18.585 15.478 728 HD21 LEU 94 HD21 LEU 94 3.479 -16.667 15.713 729 HD22 LEU 94 HD22 LEU 94 3.153 -15.582 14.364 730 HD23 LEU 94 HD23 LEU 94 3.582 -17.267 14.054 731 H GLU 95 HN GLU 95 -1.556 -14.895 12.464 732 HA GLU 95 HA GLU 95 -2.313 -13.789 15.080 733 HB2 GLU 95 HB2 GLU 95 -2.423 -12.480 12.316 734 HB3 GLU 95 HB1 GLU 95 -2.570 -11.668 13.868 735 HG2 GLU 95 HG2 GLU 95 -0.087 -12.959 12.707 736 HG3 GLU 95 HG1 GLU 95 -0.383 -11.239 12.948 737 H HIS 96 HN HIS 96 -4.449 -12.110 14.182 738 HA HIS 96 HA HIS 96 -6.732 -13.797 14.239 739 HB2 HIS 96 HB2 HIS 96 -8.056 -11.787 14.059 740 HB3 HIS 96 HB1 HIS 96 -6.661 -11.377 15.043 741 HD1 HIS 96 HD1 HIS 96 -8.618 -10.012 12.455 742 HD2 HIS 96 HD2 HIS 96 -4.525 -10.153 13.158 743 HE1 HIS 96 HE1 HIS 96 -7.640 -8.169 11.059 744 HE2 HIS 96 HE2 HIS 96 -5.186 -8.173 11.626 745 H HIS 97 HN HIS 97 -8.152 -14.406 12.621 746 HA HIS 97 HA HIS 97 -7.166 -14.511 9.887 747 HB2 HIS 97 HB2 HIS 97 -9.793 -15.582 11.018 748 HB3 HIS 97 HB1 HIS 97 -9.058 -16.017 9.474 749 HD1 HIS 97 HD1 HIS 97 -9.428 -17.266 12.777 750 HD2 HIS 97 HD2 HIS 97 -6.323 -17.249 10.013 751 HE1 HIS 97 HE1 HIS 97 -7.864 -19.074 13.522 752 HE2 HIS 97 HE2 HIS 97 -5.901 -18.917 11.947 753 H HIS 98 HN HIS 98 -7.668 -12.998 8.395 754 HA HIS 98 HA HIS 98 -9.242 -10.718 9.022 755 HB2 HIS 98 HB2 HIS 98 -8.133 -11.607 6.328 756 HB3 HIS 98 HB1 HIS 98 -8.819 -10.016 6.658 757 HD1 HIS 98 HD1 HIS 98 -5.737 -11.973 6.933 758 HD2 HIS 98 HD2 HIS 98 -7.247 -8.436 8.484 759 HE1 HIS 98 HE1 HIS 98 -3.767 -10.779 7.913 760 HE2 HIS 98 HE2 HIS 98 -4.681 -8.562 8.695 761 H HIS 99 HN HIS 99 -10.971 -9.871 7.540 762 HA HIS 99 HA HIS 99 -13.207 -11.668 7.813 763 HB2 HIS 99 HB2 HIS 99 -13.130 -8.827 6.697 764 HB3 HIS 99 HB1 HIS 99 -14.566 -9.710 7.213 765 HD1 HIS 99 HD1 HIS 99 -11.695 -7.737 8.478 766 HD2 HIS 99 HD2 HIS 99 -14.861 -9.921 10.048 767 HE1 HIS 99 HE1 HIS 99 -11.762 -7.157 10.912 768 HE2 HIS 99 HE2 HIS 99 -13.569 -8.616 11.869 769 H HIS 100 HN HIS 100 -13.132 -13.268 6.301 770 HA HIS 100 HA HIS 100 -14.215 -12.628 3.723 771 HB2 HIS 100 HB2 HIS 100 -12.560 -13.826 2.335 772 HB3 HIS 100 HB1 HIS 100 -11.818 -12.457 3.147 773 HD1 HIS 100 HD1 HIS 100 -11.559 -16.118 2.748 774 HD2 HIS 100 HD2 HIS 100 -9.960 -13.187 5.226 775 HE1 HIS 100 HE1 HIS 100 -9.566 -17.184 3.847 776 HE2 HIS 100 HE2 HIS 100 -8.630 -15.399 5.362 777 H HIS 101 HN HIS 101 -15.634 -14.194 3.134 778 HA HIS 101 HA HIS 101 -15.456 -16.864 4.388 779 HB2 HIS 101 HB2 HIS 101 -17.176 -15.306 5.524 780 HB3 HIS 101 HB1 HIS 101 -18.111 -15.406 4.037 781 HD1 HIS 101 HD1 HIS 101 -18.733 -18.014 3.333 782 HD2 HIS 101 HD2 HIS 101 -17.712 -17.287 7.300 783 HE1 HIS 101 HE1 HIS 101 -19.504 -20.040 4.611 784 HE2 HIS 101 HE2 HIS 101 -18.777 -19.622 6.988 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -15.201 -2.223 4.757 2 H2 MET 1 HT2 MET 1 -15.012 -3.782 4.135 3 H3 MET 1 HT3 MET 1 -16.055 -2.689 3.377 4 HA MET 1 HA MET 1 -13.998 -2.978 2.180 5 HB2 MET 1 HB2 MET 1 -15.357 -0.789 2.239 6 HB3 MET 1 HB1 MET 1 -14.169 -0.174 3.376 7 HG2 MET 1 HG2 MET 1 -13.411 -1.130 0.610 8 HG3 MET 1 HG1 MET 1 -13.925 0.528 0.932 9 HE1 MET 1 HE1 MET 1 -10.109 1.060 0.413 10 HE2 MET 1 HE2 MET 1 -11.722 1.640 0.016 11 HE3 MET 1 HE3 MET 1 -11.207 0.027 -0.500 12 H THR 2 HN THR 2 -12.835 -0.597 4.557 13 HA THR 2 HA THR 2 -10.917 -0.377 5.760 14 HB THR 2 HB THR 2 -11.347 -3.277 6.613 15 HG1 THR 2 HG1 THR 2 -13.185 -2.733 7.500 16 HG21 THR 2 HG21 THR 2 -10.690 -2.464 8.844 17 HG22 THR 2 HG22 THR 2 -10.495 -0.829 8.214 18 HG23 THR 2 HG23 THR 2 -9.413 -2.118 7.674 19 H SER 3 HN SER 3 -10.412 -1.157 3.046 20 HA SER 3 HA SER 3 -8.712 -3.426 2.819 21 HB2 SER 3 HB2 SER 3 -10.065 -2.631 0.918 22 HB3 SER 3 HB1 SER 3 -9.157 -1.120 0.871 23 HG SER 3 HG SER 3 -8.156 -3.744 0.363 24 H THR 4 HN THR 4 -6.561 -3.479 2.162 25 HA THR 4 HA THR 4 -4.683 -2.177 3.708 26 HB THR 4 HB THR 4 -4.211 -3.448 0.968 27 HG1 THR 4 HG1 THR 4 -4.670 -5.272 1.924 28 HG21 THR 4 HG21 THR 4 -1.971 -3.968 1.860 29 HG22 THR 4 HG22 THR 4 -2.351 -3.105 3.350 30 HG23 THR 4 HG23 THR 4 -2.248 -2.224 1.824 31 H PHE 5 HN PHE 5 -5.658 -1.536 0.330 32 HA PHE 5 HA PHE 5 -3.943 0.546 -0.327 33 HB2 PHE 5 HB2 PHE 5 -5.217 -0.205 -2.171 34 HB3 PHE 5 HB1 PHE 5 -6.730 -0.171 -1.273 35 HD1 PHE 5 HD1 PHE 5 -4.100 2.184 -2.593 36 HD2 PHE 5 HD2 PHE 5 -8.243 1.626 -1.668 37 HE1 PHE 5 HE1 PHE 5 -4.600 4.442 -3.413 38 HE2 PHE 5 HE2 PHE 5 -8.721 3.889 -2.503 39 HZ PHE 5 HZ PHE 5 -6.903 5.298 -3.363 40 H ASP 6 HN ASP 6 -7.093 0.728 1.316 41 HA ASP 6 HA ASP 6 -7.418 3.518 1.321 42 HB2 ASP 6 HB2 ASP 6 -9.216 1.850 1.830 43 HB3 ASP 6 HB1 ASP 6 -8.443 1.498 3.369 44 H ARG 7 HN ARG 7 -6.002 1.339 3.745 45 HA ARG 7 HA ARG 7 -5.275 3.319 5.646 46 HB2 ARG 7 HB2 ARG 7 -4.271 0.473 5.233 47 HB3 ARG 7 HB1 ARG 7 -3.879 1.460 6.639 48 HG2 ARG 7 HG2 ARG 7 -6.649 0.512 5.829 49 HG3 ARG 7 HG1 ARG 7 -5.671 -0.122 7.156 50 HD2 ARG 7 HD2 ARG 7 -5.757 2.157 8.215 51 HD3 ARG 7 HD1 ARG 7 -6.861 2.663 6.934 52 HE ARG 7 HE ARG 7 -7.456 0.506 8.869 53 HH11 ARG 7 HH11 ARG 7 -8.602 3.199 6.907 54 HH12 ARG 7 HH12 ARG 7 -10.185 3.195 7.621 55 HH21 ARG 7 HH21 ARG 7 -9.522 0.517 9.802 56 HH22 ARG 7 HH22 ARG 7 -10.703 1.672 9.261 57 H VAL 8 HN VAL 8 -3.495 1.848 2.923 58 HA VAL 8 HA VAL 8 -0.917 2.907 3.624 59 HB VAL 8 HB VAL 8 -2.002 1.585 1.096 60 HG11 VAL 8 HG11 VAL 8 0.337 1.446 0.263 61 HG12 VAL 8 HG12 VAL 8 0.864 2.480 1.591 62 HG13 VAL 8 HG13 VAL 8 -0.227 3.116 0.359 63 HG21 VAL 8 HG21 VAL 8 -0.045 0.600 3.212 64 HG22 VAL 8 HG22 VAL 8 -0.602 -0.315 1.810 65 HG23 VAL 8 HG23 VAL 8 -1.743 0.126 3.080 66 H ALA 9 HN ALA 9 -3.509 3.891 1.467 67 HA ALA 9 HA ALA 9 -2.259 6.073 0.166 68 HB1 ALA 9 HB1 ALA 9 -4.317 5.023 -0.715 69 HB2 ALA 9 HB2 ALA 9 -4.552 6.757 -0.471 70 HB3 ALA 9 HB3 ALA 9 -5.223 5.602 0.684 71 H THR 10 HN THR 10 -4.080 5.723 3.172 72 HA THR 10 HA THR 10 -4.092 8.406 4.039 73 HB THR 10 HB THR 10 -4.071 5.828 5.653 74 HG1 THR 10 HG1 THR 10 -5.856 6.383 4.117 75 HG21 THR 10 HG21 THR 10 -3.388 7.696 7.126 76 HG22 THR 10 HG22 THR 10 -5.015 7.149 7.530 77 HG23 THR 10 HG23 THR 10 -4.791 8.635 6.605 78 H ILE 11 HN ILE 11 -1.730 5.764 4.686 79 HA ILE 11 HA ILE 11 0.085 7.218 6.240 80 HB ILE 11 HB ILE 11 0.543 4.849 4.380 81 HG12 ILE 11 HG12 ILE 11 0.262 4.999 7.417 82 HG13 ILE 11 HG11 ILE 11 -1.000 4.480 6.308 83 HG21 ILE 11 HG21 ILE 11 2.692 4.448 5.561 84 HG22 ILE 11 HG22 ILE 11 2.504 5.986 6.406 85 HG23 ILE 11 HG23 ILE 11 2.702 5.960 4.654 86 HD11 ILE 11 HD11 ILE 11 0.036 2.599 7.423 87 HD12 ILE 11 HD12 ILE 11 1.619 3.059 6.803 88 HD13 ILE 11 HD13 ILE 11 0.353 2.530 5.691 89 H ILE 12 HN ILE 12 0.062 6.737 2.690 90 HA ILE 12 HA ILE 12 2.271 8.263 1.961 91 HB ILE 12 HB ILE 12 -0.317 7.627 0.483 92 HG12 ILE 12 HG12 ILE 12 2.504 6.498 0.284 93 HG13 ILE 12 HG11 ILE 12 1.087 5.680 0.930 94 HG21 ILE 12 HG21 ILE 12 2.116 8.982 -0.725 95 HG22 ILE 12 HG22 ILE 12 0.524 9.709 -0.499 96 HG23 ILE 12 HG23 ILE 12 0.727 8.371 -1.628 97 HD11 ILE 12 HD11 ILE 12 1.649 4.826 -1.244 98 HD12 ILE 12 HD12 ILE 12 1.567 6.439 -1.948 99 HD13 ILE 12 HD13 ILE 12 0.104 5.672 -1.325 100 H ALA 13 HN ALA 13 -1.160 9.235 2.161 101 HA ALA 13 HA ALA 13 -1.051 11.892 1.547 102 HB1 ALA 13 HB1 ALA 13 -2.834 10.622 3.646 103 HB2 ALA 13 HB2 ALA 13 -3.128 10.621 1.907 104 HB3 ALA 13 HB3 ALA 13 -3.142 12.143 2.800 105 H GLU 14 HN GLU 14 -0.691 10.533 4.831 106 HA GLU 14 HA GLU 14 -0.310 13.068 6.095 107 HB2 GLU 14 HB2 GLU 14 0.269 10.293 7.210 108 HB3 GLU 14 HB1 GLU 14 0.105 11.777 8.148 109 HG2 GLU 14 HG2 GLU 14 -2.051 10.264 6.654 110 HG3 GLU 14 HG1 GLU 14 -1.932 10.543 8.386 111 H THR 15 HN THR 15 1.879 10.704 4.698 112 HA THR 15 HA THR 15 4.267 11.652 5.995 113 HB THR 15 HB THR 15 3.876 9.859 3.553 114 HG1 THR 15 HG1 THR 15 3.213 9.102 5.700 115 HG21 THR 15 HG21 THR 15 6.114 10.882 3.410 116 HG22 THR 15 HG22 THR 15 6.247 9.183 3.864 117 HG23 THR 15 HG23 THR 15 6.445 10.436 5.087 118 H CYS 16 HN CYS 16 2.854 12.070 2.698 119 HA CYS 16 HA CYS 16 5.008 13.872 1.916 120 HB2 CYS 16 HB2 CYS 16 2.742 12.605 0.323 121 HB3 CYS 16 HB1 CYS 16 4.091 13.512 -0.358 122 HG CYS 16 HG CYS 16 6.017 11.648 0.589 123 H ASP 17 HN ASP 17 2.336 14.416 3.624 124 HA ASP 17 HA ASP 17 0.642 15.885 3.841 125 HB2 ASP 17 HB2 ASP 17 2.775 17.155 4.368 126 HB3 ASP 17 HB1 ASP 17 2.714 17.837 2.747 127 H ILE 18 HN ILE 18 -0.466 14.732 2.020 128 HA ILE 18 HA ILE 18 -1.218 16.533 -0.176 129 HB ILE 18 HB ILE 18 -1.073 14.629 -1.858 130 HG12 ILE 18 HG12 ILE 18 0.665 13.288 0.268 131 HG13 ILE 18 HG11 ILE 18 -0.915 12.728 -0.257 132 HG21 ILE 18 HG21 ILE 18 0.586 16.429 -1.887 133 HG22 ILE 18 HG22 ILE 18 1.327 14.897 -2.335 134 HG23 ILE 18 HG23 ILE 18 1.589 15.560 -0.721 135 HD11 ILE 18 HD11 ILE 18 1.581 12.850 -1.943 136 HD12 ILE 18 HD12 ILE 18 0.001 12.287 -2.496 137 HD13 ILE 18 HD13 ILE 18 0.862 11.408 -1.232 138 HA PRO 19 HA PRO 19 -5.320 15.193 0.941 139 HB2 PRO 19 HB2 PRO 19 -6.071 15.268 -1.970 140 HB3 PRO 19 HB1 PRO 19 -6.763 16.156 -0.607 141 HG2 PRO 19 HG2 PRO 19 -5.185 17.392 -2.385 142 HG3 PRO 19 HG1 PRO 19 -5.098 17.796 -0.654 143 HD2 PRO 19 HD2 PRO 19 -3.250 16.061 -2.297 144 HD3 PRO 19 HD1 PRO 19 -2.853 17.276 -1.060 145 H ARG 20 HN ARG 20 -5.752 13.143 1.545 146 HA ARG 20 HA ARG 20 -4.814 10.777 0.536 147 HB2 ARG 20 HB2 ARG 20 -6.069 11.396 2.770 148 HB3 ARG 20 HB1 ARG 20 -7.520 10.903 1.916 149 HG2 ARG 20 HG2 ARG 20 -5.099 9.117 2.366 150 HG3 ARG 20 HG1 ARG 20 -6.498 9.159 3.431 151 HD2 ARG 20 HD2 ARG 20 -6.469 8.268 0.528 152 HD3 ARG 20 HD1 ARG 20 -6.595 7.223 1.947 153 HE ARG 20 HE ARG 20 -8.672 9.191 1.873 154 HH11 ARG 20 HH11 ARG 20 -7.774 6.045 0.590 155 HH12 ARG 20 HH12 ARG 20 -9.405 5.598 0.236 156 HH21 ARG 20 HH21 ARG 20 -10.780 8.622 1.377 157 HH22 ARG 20 HH22 ARG 20 -11.120 7.079 0.661 158 H GLU 21 HN GLU 21 -7.629 12.564 -0.562 159 HA GLU 21 HA GLU 21 -9.030 10.365 -1.782 160 HB2 GLU 21 HB2 GLU 21 -10.562 12.106 -2.640 161 HB3 GLU 21 HB1 GLU 21 -10.276 12.286 -0.914 162 HG2 GLU 21 HG2 GLU 21 -8.779 14.156 -1.297 163 HG3 GLU 21 HG1 GLU 21 -8.868 13.929 -3.042 164 H THR 22 HN THR 22 -6.543 12.585 -2.826 165 HA THR 22 HA THR 22 -7.071 12.339 -5.664 166 HB THR 22 HB THR 22 -4.989 13.661 -5.977 167 HG1 THR 22 HG1 THR 22 -4.458 12.777 -3.468 168 HG21 THR 22 HG21 THR 22 -6.728 14.813 -3.761 169 HG22 THR 22 HG22 THR 22 -7.071 14.906 -5.491 170 HG23 THR 22 HG23 THR 22 -5.662 15.733 -4.828 171 H ILE 23 HN ILE 23 -5.556 10.343 -3.339 172 HA ILE 23 HA ILE 23 -3.741 9.043 -5.241 173 HB ILE 23 HB ILE 23 -4.315 8.446 -2.286 174 HG12 ILE 23 HG12 ILE 23 -1.830 9.055 -2.007 175 HG13 ILE 23 HG11 ILE 23 -1.875 9.679 -3.647 176 HG21 ILE 23 HG21 ILE 23 -2.476 6.785 -2.405 177 HG22 ILE 23 HG22 ILE 23 -2.373 7.030 -4.150 178 HG23 ILE 23 HG23 ILE 23 -3.838 6.348 -3.438 179 HD11 ILE 23 HD11 ILE 23 -3.520 11.345 -2.944 180 HD12 ILE 23 HD12 ILE 23 -2.024 11.442 -2.018 181 HD13 ILE 23 HD13 ILE 23 -3.457 10.706 -1.299 182 H THR 24 HN THR 24 -4.965 7.968 -6.712 183 HA THR 24 HA THR 24 -7.407 6.528 -6.074 184 HB THR 24 HB THR 24 -7.407 5.969 -8.497 185 HG1 THR 24 HG1 THR 24 -4.782 6.368 -8.275 186 HG21 THR 24 HG21 THR 24 -7.535 8.260 -9.426 187 HG22 THR 24 HG22 THR 24 -6.694 8.891 -8.008 188 HG23 THR 24 HG23 THR 24 -8.302 8.182 -7.838 189 HA PRO 25 HA PRO 25 -5.694 2.437 -5.280 190 HB2 PRO 25 HB2 PRO 25 -7.117 0.771 -7.041 191 HB3 PRO 25 HB1 PRO 25 -7.697 1.309 -5.460 192 HG2 PRO 25 HG2 PRO 25 -8.276 2.452 -8.187 193 HG3 PRO 25 HG1 PRO 25 -9.387 2.180 -6.827 194 HD2 PRO 25 HD2 PRO 25 -8.458 4.638 -7.344 195 HD3 PRO 25 HD1 PRO 25 -8.631 4.088 -5.660 196 H GLU 26 HN GLU 26 -5.789 3.557 -8.594 197 HA GLU 26 HA GLU 26 -3.642 1.675 -9.378 198 HB2 GLU 26 HB2 GLU 26 -5.581 3.182 -11.178 199 HB3 GLU 26 HB1 GLU 26 -4.360 2.015 -11.696 200 HG2 GLU 26 HG2 GLU 26 -5.529 0.240 -10.390 201 HG3 GLU 26 HG1 GLU 26 -6.767 1.411 -9.937 202 H SER 27 HN SER 27 -3.524 4.391 -7.938 203 HA SER 27 HA SER 27 -1.907 6.117 -9.604 204 HB2 SER 27 HB2 SER 27 -2.279 5.939 -6.572 205 HB3 SER 27 HB1 SER 27 -1.170 7.093 -7.320 206 HG SER 27 HG SER 27 -2.792 8.286 -7.857 207 H HIS 28 HN HIS 28 0.187 5.740 -10.168 208 HA HIS 28 HA HIS 28 1.809 3.712 -8.871 209 HB2 HIS 28 HB2 HIS 28 1.917 4.321 -11.366 210 HB3 HIS 28 HB1 HIS 28 2.732 5.810 -10.891 211 HD2 HIS 28 HD2 HIS 28 3.544 2.196 -11.704 212 HE1 HIS 28 HE1 HIS 28 6.926 3.790 -9.738 213 HE2 HIS 28 HE2 HIS 28 6.104 2.038 -11.355 214 H ALA 29 HN ALA 29 2.633 4.208 -6.861 215 HA ALA 29 HA ALA 29 2.688 6.540 -5.507 216 HB1 ALA 29 HB1 ALA 29 3.067 4.318 -4.527 217 HB2 ALA 29 HB2 ALA 29 4.292 5.468 -3.991 218 HB3 ALA 29 HB3 ALA 29 4.684 4.275 -5.235 219 H ILE 30 HN ILE 30 5.179 5.496 -7.821 220 HA ILE 30 HA ILE 30 6.981 7.655 -6.951 221 HB ILE 30 HB ILE 30 7.496 5.410 -8.951 222 HG12 ILE 30 HG12 ILE 30 8.463 5.773 -6.073 223 HG13 ILE 30 HG11 ILE 30 7.323 4.558 -6.639 224 HG21 ILE 30 HG21 ILE 30 9.430 7.498 -7.869 225 HG22 ILE 30 HG22 ILE 30 8.816 7.412 -9.521 226 HG23 ILE 30 HG23 ILE 30 9.866 6.138 -8.905 227 HD11 ILE 30 HD11 ILE 30 9.114 3.524 -7.969 228 HD12 ILE 30 HD12 ILE 30 9.499 3.583 -6.251 229 HD13 ILE 30 HD13 ILE 30 10.250 4.729 -7.359 230 H ASP 31 HN ASP 31 5.534 6.425 -9.974 231 HA ASP 31 HA ASP 31 6.507 8.601 -11.570 232 HB2 ASP 31 HB2 ASP 31 6.302 6.331 -12.483 233 HB3 ASP 31 HB1 ASP 31 4.564 6.341 -12.210 234 H ASP 32 HN ASP 32 3.304 7.689 -10.295 235 HA ASP 32 HA ASP 32 1.921 9.811 -11.747 236 HB2 ASP 32 HB2 ASP 32 0.776 7.663 -11.538 237 HB3 ASP 32 HB1 ASP 32 0.960 7.671 -9.794 238 H LEU 33 HN LEU 33 2.369 8.897 -8.297 239 HA LEU 33 HA LEU 33 1.319 11.369 -7.294 240 HB2 LEU 33 HB2 LEU 33 2.840 9.162 -5.862 241 HB3 LEU 33 HB1 LEU 33 1.991 10.479 -5.065 242 HG LEU 33 HG LEU 33 0.713 8.260 -6.719 243 HD11 LEU 33 HD11 LEU 33 -0.258 7.489 -4.610 244 HD12 LEU 33 HD12 LEU 33 0.612 8.746 -3.725 245 HD13 LEU 33 HD13 LEU 33 1.503 7.468 -4.551 246 HD21 LEU 33 HD21 LEU 33 -1.463 9.188 -6.008 247 HD22 LEU 33 HD22 LEU 33 -0.564 10.316 -7.014 248 HD23 LEU 33 HD23 LEU 33 -0.639 10.566 -5.266 249 H GLY 34 HN GLY 34 4.384 10.531 -8.521 250 HA2 GLY 34 HA2 GLY 34 6.346 11.714 -8.719 251 HA3 GLY 34 HA1 GLY 34 5.493 13.104 -8.072 252 H ILE 35 HN ILE 35 5.947 10.027 -6.398 253 HA ILE 35 HA ILE 35 7.511 11.381 -4.270 254 HB ILE 35 HB ILE 35 5.915 8.771 -4.199 255 HG12 ILE 35 HG12 ILE 35 5.274 11.430 -2.850 256 HG13 ILE 35 HG11 ILE 35 4.518 10.859 -4.335 257 HG21 ILE 35 HG21 ILE 35 6.329 8.746 -1.764 258 HG22 ILE 35 HG22 ILE 35 7.356 10.172 -1.914 259 HG23 ILE 35 HG23 ILE 35 7.838 8.653 -2.674 260 HD11 ILE 35 HD11 ILE 35 3.086 10.509 -2.420 261 HD12 ILE 35 HD12 ILE 35 4.328 9.542 -1.630 262 HD13 ILE 35 HD13 ILE 35 3.565 8.961 -3.114 263 H ASP 36 HN ASP 36 9.679 10.941 -4.330 264 HA ASP 36 HA ASP 36 10.771 9.018 -6.155 265 HB2 ASP 36 HB2 ASP 36 11.850 11.261 -5.422 266 HB3 ASP 36 HB1 ASP 36 12.322 10.445 -3.939 267 H SER 37 HN SER 37 12.181 7.249 -5.546 268 HA SER 37 HA SER 37 11.051 5.395 -3.772 269 HB2 SER 37 HB2 SER 37 13.167 4.061 -4.253 270 HB3 SER 37 HB1 SER 37 12.301 4.620 -5.684 271 HG SER 37 HG SER 37 13.885 6.525 -5.419 272 H LEU 38 HN LEU 38 13.528 7.853 -3.221 273 HA LEU 38 HA LEU 38 14.635 6.663 -0.837 274 HB2 LEU 38 HB2 LEU 38 15.820 8.828 -0.537 275 HB3 LEU 38 HB1 LEU 38 16.071 8.109 -2.109 276 HG LEU 38 HG LEU 38 14.247 9.803 -2.942 277 HD11 LEU 38 HD11 LEU 38 15.019 11.255 -0.401 278 HD12 LEU 38 HD12 LEU 38 13.419 10.632 -0.810 279 HD13 LEU 38 HD13 LEU 38 14.119 11.937 -1.760 280 HD21 LEU 38 HD21 LEU 38 16.592 9.888 -3.601 281 HD22 LEU 38 HD22 LEU 38 16.990 10.810 -2.151 282 HD23 LEU 38 HD23 LEU 38 15.937 11.509 -3.384 283 H ASP 39 HN ASP 39 12.043 8.842 -1.606 284 HA ASP 39 HA ASP 39 11.483 9.701 1.109 285 HB2 ASP 39 HB2 ASP 39 11.069 11.113 -0.969 286 HB3 ASP 39 HB1 ASP 39 9.769 10.006 -1.406 287 H PHE 40 HN PHE 40 10.338 7.344 -1.222 288 HA PHE 40 HA PHE 40 7.987 6.515 0.140 289 HB2 PHE 40 HB2 PHE 40 8.443 6.179 -2.340 290 HB3 PHE 40 HB1 PHE 40 9.580 4.905 -1.906 291 HD1 PHE 40 HD1 PHE 40 5.994 5.903 -1.753 292 HD2 PHE 40 HD2 PHE 40 8.779 2.683 -1.335 293 HE1 PHE 40 HE1 PHE 40 4.138 4.306 -1.591 294 HE2 PHE 40 HE2 PHE 40 6.905 1.094 -1.180 295 HZ PHE 40 HZ PHE 40 4.592 1.908 -1.302 296 H LEU 41 HN LEU 41 11.391 5.690 0.495 297 HA LEU 41 HA LEU 41 11.371 3.320 1.935 298 HB2 LEU 41 HB2 LEU 41 13.011 5.818 2.508 299 HB3 LEU 41 HB1 LEU 41 13.346 4.247 3.216 300 HG LEU 41 HG LEU 41 13.530 4.937 0.257 301 HD11 LEU 41 HD11 LEU 41 15.331 5.944 1.567 302 HD12 LEU 41 HD12 LEU 41 15.942 4.660 0.529 303 HD13 LEU 41 HD13 LEU 41 15.735 4.369 2.259 304 HD21 LEU 41 HD21 LEU 41 14.486 2.690 -0.042 305 HD22 LEU 41 HD22 LEU 41 12.827 2.616 0.539 306 HD23 LEU 41 HD23 LEU 41 14.162 2.318 1.655 307 H ASP 42 HN ASP 42 10.620 6.571 3.122 308 HA ASP 42 HA ASP 42 10.207 5.876 5.877 309 HB2 ASP 42 HB2 ASP 42 10.825 8.175 5.201 310 HB3 ASP 42 HB1 ASP 42 9.302 8.343 4.336 311 H ILE 43 HN ILE 43 8.038 6.400 3.100 312 HA ILE 43 HA ILE 43 5.553 6.085 4.377 313 HB ILE 43 HB ILE 43 6.326 5.276 1.532 314 HG12 ILE 43 HG12 ILE 43 5.109 7.872 2.597 315 HG13 ILE 43 HG11 ILE 43 6.734 7.673 1.951 316 HG21 ILE 43 HG21 ILE 43 3.916 5.383 0.994 317 HG22 ILE 43 HG22 ILE 43 3.541 5.693 2.692 318 HG23 ILE 43 HG23 ILE 43 4.251 4.149 2.210 319 HD11 ILE 43 HD11 ILE 43 5.777 7.187 -0.260 320 HD12 ILE 43 HD12 ILE 43 5.291 8.767 0.354 321 HD13 ILE 43 HD13 ILE 43 4.157 7.417 0.404 322 H ALA 44 HN ALA 44 7.758 3.686 2.960 323 HA ALA 44 HA ALA 44 6.006 1.435 3.263 324 HB1 ALA 44 HB1 ALA 44 8.984 1.550 2.646 325 HB2 ALA 44 HB2 ALA 44 7.682 1.538 1.454 326 HB3 ALA 44 HB3 ALA 44 7.950 0.125 2.480 327 H PHE 45 HN PHE 45 8.744 2.805 5.052 328 HA PHE 45 HA PHE 45 9.061 0.854 7.044 329 HB2 PHE 45 HB2 PHE 45 10.651 2.735 6.616 330 HB3 PHE 45 HB1 PHE 45 9.479 3.875 7.268 331 HD1 PHE 45 HD1 PHE 45 11.114 0.641 8.330 332 HD2 PHE 45 HD2 PHE 45 9.929 4.595 9.453 333 HE1 PHE 45 HE1 PHE 45 12.098 0.316 10.556 334 HE2 PHE 45 HE2 PHE 45 10.915 4.255 11.676 335 HZ PHE 45 HZ PHE 45 12.003 2.119 12.227 336 H ALA 46 HN ALA 46 6.813 3.579 6.793 337 HA ALA 46 HA ALA 46 5.686 3.348 9.419 338 HB1 ALA 46 HB1 ALA 46 4.541 4.648 6.932 339 HB2 ALA 46 HB2 ALA 46 5.558 5.437 8.137 340 HB3 ALA 46 HB3 ALA 46 3.944 4.873 8.580 341 H ILE 47 HN ILE 47 4.765 2.118 6.215 342 HA ILE 47 HA ILE 47 2.328 0.824 6.871 343 HB ILE 47 HB ILE 47 4.393 0.118 4.734 344 HG12 ILE 47 HG12 ILE 47 1.815 1.710 4.368 345 HG13 ILE 47 HG11 ILE 47 3.396 2.450 4.580 346 HG21 ILE 47 HG21 ILE 47 2.606 -1.097 3.572 347 HG22 ILE 47 HG22 ILE 47 1.499 -0.776 4.903 348 HG23 ILE 47 HG23 ILE 47 2.917 -1.793 5.162 349 HD11 ILE 47 HD11 ILE 47 2.602 0.638 2.297 350 HD12 ILE 47 HD12 ILE 47 4.178 1.410 2.511 351 HD13 ILE 47 HD13 ILE 47 2.741 2.395 2.243 352 H ASP 48 HN ASP 48 5.650 -0.288 6.748 353 HA ASP 48 HA ASP 48 5.541 -2.980 7.305 354 HB2 ASP 48 HB2 ASP 48 7.555 -1.691 6.647 355 HB3 ASP 48 HB1 ASP 48 7.559 -0.871 8.195 356 H LYS 49 HN LYS 49 5.868 -0.315 9.592 357 HA LYS 49 HA LYS 49 5.760 -1.849 11.989 358 HB2 LYS 49 HB2 LYS 49 5.345 1.127 11.513 359 HB3 LYS 49 HB1 LYS 49 5.585 0.393 13.098 360 HG2 LYS 49 HG2 LYS 49 7.850 -0.275 12.502 361 HG3 LYS 49 HG1 LYS 49 7.608 0.246 10.837 362 HD2 LYS 49 HD2 LYS 49 8.862 1.996 11.760 363 HD3 LYS 49 HD1 LYS 49 7.217 2.614 11.832 364 HE2 LYS 49 HE2 LYS 49 8.743 1.382 14.156 365 HE3 LYS 49 HE1 LYS 49 8.508 3.106 13.887 366 HZ1 LYS 49 HZ1 LYS 49 6.965 2.319 15.504 367 HZ2 LYS 49 HZ2 LYS 49 6.405 1.104 14.472 368 HZ3 LYS 49 HZ3 LYS 49 6.108 2.726 14.107 369 H ALA 50 HN ALA 50 3.331 0.057 10.203 370 HA ALA 50 HA ALA 50 1.264 0.044 12.119 371 HB1 ALA 50 HB1 ALA 50 1.312 1.605 10.210 372 HB2 ALA 50 HB2 ALA 50 -0.216 0.723 10.260 373 HB3 ALA 50 HB3 ALA 50 1.030 0.269 9.091 374 H PHE 51 HN PHE 51 1.813 -2.102 9.316 375 HA PHE 51 HA PHE 51 -0.492 -3.777 9.948 376 HB2 PHE 51 HB2 PHE 51 1.525 -3.836 7.662 377 HB3 PHE 51 HB1 PHE 51 0.230 -5.012 7.833 378 HD1 PHE 51 HD2 PHE 51 0.916 -1.392 7.246 379 HD2 PHE 51 HD1 PHE 51 -2.014 -4.496 7.138 380 HE1 PHE 51 HE2 PHE 51 -0.605 0.085 6.005 381 HE2 PHE 51 HE1 PHE 51 -3.530 -3.015 5.894 382 HZ PHE 51 HZ PHE 51 -2.827 -0.726 5.324 383 H GLY 52 HN GLY 52 2.712 -3.641 10.934 384 HA2 GLY 52 HA2 GLY 52 3.959 -4.978 12.319 385 HA3 GLY 52 HA1 GLY 52 2.556 -6.024 12.481 386 H ILE 53 HN ILE 53 4.108 -5.240 9.457 387 HA ILE 53 HA ILE 53 4.857 -8.082 9.044 388 HB ILE 53 HB ILE 53 4.483 -7.681 6.623 389 HG12 ILE 53 HG12 ILE 53 3.311 -4.959 7.372 390 HG13 ILE 53 HG11 ILE 53 4.908 -5.150 6.667 391 HG21 ILE 53 HG21 ILE 53 2.016 -7.566 6.659 392 HG22 ILE 53 HG22 ILE 53 2.074 -6.969 8.320 393 HG23 ILE 53 HG23 ILE 53 2.644 -8.598 7.947 394 HD11 ILE 53 HD11 ILE 53 3.858 -6.148 4.677 395 HD12 ILE 53 HD12 ILE 53 3.297 -4.511 5.009 396 HD13 ILE 53 HD13 ILE 53 2.269 -5.884 5.408 397 H LYS 54 HN LYS 54 6.607 -8.268 7.275 398 HA LYS 54 HA LYS 54 8.535 -6.028 7.424 399 HB2 LYS 54 HB2 LYS 54 10.390 -7.527 7.123 400 HB3 LYS 54 HB1 LYS 54 9.432 -8.129 8.459 401 HG2 LYS 54 HG2 LYS 54 9.388 -9.291 5.656 402 HG3 LYS 54 HG1 LYS 54 10.403 -9.886 6.970 403 HD2 LYS 54 HD2 LYS 54 8.364 -10.450 8.278 404 HD3 LYS 54 HD1 LYS 54 7.355 -9.866 6.947 405 HE2 LYS 54 HE2 LYS 54 8.319 -11.610 5.468 406 HE3 LYS 54 HE1 LYS 54 9.314 -12.185 6.811 407 HZ1 LYS 54 HZ1 LYS 54 6.356 -12.168 6.723 408 HZ2 LYS 54 HZ2 LYS 54 7.293 -12.678 8.033 409 HZ3 LYS 54 HZ3 LYS 54 7.352 -13.522 6.571 410 H LEU 55 HN LEU 55 8.230 -4.819 5.703 411 HA LEU 55 HA LEU 55 7.523 -5.845 3.097 412 HB2 LEU 55 HB2 LEU 55 8.309 -3.068 4.050 413 HB3 LEU 55 HB1 LEU 55 7.970 -3.428 2.362 414 HG LEU 55 HG LEU 55 5.993 -3.629 4.669 415 HD11 LEU 55 HD11 LEU 55 4.840 -1.778 3.558 416 HD12 LEU 55 HD12 LEU 55 6.118 -1.690 2.344 417 HD13 LEU 55 HD13 LEU 55 6.474 -1.332 4.034 418 HD21 LEU 55 HD21 LEU 55 5.519 -4.175 1.716 419 HD22 LEU 55 HD22 LEU 55 4.296 -4.170 2.990 420 HD23 LEU 55 HD23 LEU 55 5.563 -5.387 2.999 421 HA PRO 56 HA PRO 56 11.964 -6.301 2.024 422 HB2 PRO 56 HB2 PRO 56 11.612 -7.849 -0.180 423 HB3 PRO 56 HB1 PRO 56 11.514 -8.523 1.454 424 HG2 PRO 56 HG2 PRO 56 9.287 -7.708 -0.404 425 HG3 PRO 56 HG1 PRO 56 9.424 -9.168 0.599 426 HD2 PRO 56 HD2 PRO 56 7.950 -6.964 1.336 427 HD3 PRO 56 HD1 PRO 56 8.703 -8.065 2.513 428 H LEU 57 HN LEU 57 10.923 -3.873 1.665 429 HA LEU 57 HA LEU 57 10.209 -3.012 -0.930 430 HB2 LEU 57 HB2 LEU 57 9.804 -1.832 1.320 431 HB3 LEU 57 HB1 LEU 57 11.478 -1.331 1.291 432 HG LEU 57 HG LEU 57 9.789 0.433 0.627 433 HD11 LEU 57 HD11 LEU 57 12.119 0.743 0.013 434 HD12 LEU 57 HD12 LEU 57 11.042 1.419 -1.206 435 HD13 LEU 57 HD13 LEU 57 11.858 -0.120 -1.503 436 HD21 LEU 57 HD21 LEU 57 8.251 -0.983 -0.611 437 HD22 LEU 57 HD22 LEU 57 9.459 -1.229 -1.877 438 HD23 LEU 57 HD23 LEU 57 8.786 0.379 -1.592 439 H GLU 58 HN GLU 58 13.249 -3.148 0.833 440 HA GLU 58 HA GLU 58 15.014 -1.990 -1.008 441 HB2 GLU 58 HB2 GLU 58 16.764 -3.365 0.230 442 HB3 GLU 58 HB1 GLU 58 15.719 -2.384 1.255 443 HG2 GLU 58 HG2 GLU 58 14.315 -4.459 1.659 444 HG3 GLU 58 HG1 GLU 58 15.564 -5.383 0.819 445 H LYS 59 HN LYS 59 13.818 -5.314 -0.736 446 HA LYS 59 HA LYS 59 15.434 -6.465 -2.786 447 HB2 LYS 59 HB2 LYS 59 14.432 -7.765 -0.917 448 HB3 LYS 59 HB1 LYS 59 12.826 -7.417 -1.530 449 HG2 LYS 59 HG2 LYS 59 13.494 -9.697 -2.064 450 HG3 LYS 59 HG1 LYS 59 13.274 -8.749 -3.540 451 HD2 LYS 59 HD2 LYS 59 15.675 -8.528 -3.834 452 HD3 LYS 59 HD1 LYS 59 15.993 -9.247 -2.251 453 HE2 LYS 59 HE2 LYS 59 16.382 -10.802 -4.178 454 HE3 LYS 59 HE1 LYS 59 15.205 -11.407 -3.013 455 HZ1 LYS 59 HZ1 LYS 59 14.544 -11.687 -5.367 456 HZ2 LYS 59 HZ2 LYS 59 14.470 -10.006 -5.515 457 HZ3 LYS 59 HZ3 LYS 59 13.432 -10.802 -4.451 458 H TRP 60 HN TRP 60 12.197 -5.054 -2.670 459 HA TRP 60 HA TRP 60 11.275 -5.764 -5.255 460 HB2 TRP 60 HB2 TRP 60 10.508 -3.425 -3.454 461 HB3 TRP 60 HB1 TRP 60 9.628 -3.877 -4.910 462 HD1 TRP 60 HD1 TRP 60 10.197 -7.152 -3.753 463 HE1 TRP 60 HE1 TRP 60 8.374 -7.989 -2.160 464 HE3 TRP 60 HE3 TRP 60 8.084 -2.674 -2.504 465 HZ2 TRP 60 HZ2 TRP 60 6.322 -6.918 -0.577 466 HZ3 TRP 60 HZ3 TRP 60 6.181 -2.666 -0.943 467 HH2 TRP 60 HH2 TRP 60 5.319 -4.749 -0.003 468 H THR 61 HN THR 61 12.830 -2.869 -3.969 469 HA THR 61 HA THR 61 12.997 -1.354 -6.347 470 HB THR 61 HB THR 61 14.820 -1.187 -3.899 471 HG1 THR 61 HG1 THR 61 12.375 -0.964 -3.662 472 HG21 THR 61 HG21 THR 61 15.675 0.137 -5.815 473 HG22 THR 61 HG22 THR 61 15.106 1.192 -4.520 474 HG23 THR 61 HG23 THR 61 14.111 0.945 -5.957 475 H GLN 62 HN GLN 62 15.029 -3.895 -4.930 476 HA GLN 62 HA GLN 62 17.335 -3.527 -6.558 477 HB2 GLN 62 HB2 GLN 62 17.363 -4.786 -4.400 478 HB3 GLN 62 HB1 GLN 62 16.365 -6.042 -5.122 479 HG2 GLN 62 HG2 GLN 62 18.174 -6.553 -6.727 480 HG3 GLN 62 HG1 GLN 62 19.168 -5.288 -6.009 481 HE21 GLN 62 HE21 GLN 62 19.762 -8.106 -6.262 482 HE22 GLN 62 HE22 GLN 62 20.013 -8.705 -4.660 483 H GLU 63 HN GLU 63 14.390 -5.537 -6.838 484 HA GLU 63 HA GLU 63 14.986 -6.946 -9.194 485 HB2 GLU 63 HB2 GLU 63 12.237 -5.920 -8.348 486 HB3 GLU 63 HB1 GLU 63 12.552 -7.217 -9.500 487 HG2 GLU 63 HG2 GLU 63 13.093 -7.248 -6.522 488 HG3 GLU 63 HG1 GLU 63 11.846 -8.144 -7.382 489 H VAL 64 HN VAL 64 13.575 -3.733 -8.718 490 HA VAL 64 HA VAL 64 12.961 -3.134 -11.416 491 HB VAL 64 HB VAL 64 13.633 -1.170 -9.179 492 HG11 VAL 64 HG11 VAL 64 13.740 -0.115 -11.410 493 HG12 VAL 64 HG12 VAL 64 12.344 0.478 -10.512 494 HG13 VAL 64 HG13 VAL 64 12.122 -0.720 -11.789 495 HG21 VAL 64 HG21 VAL 64 11.173 -1.030 -8.809 496 HG22 VAL 64 HG22 VAL 64 11.780 -2.661 -8.524 497 HG23 VAL 64 HG23 VAL 64 10.921 -2.293 -10.019 498 H ASN 65 HN ASN 65 15.756 -2.144 -9.417 499 HA ASN 65 HA ASN 65 17.179 -0.817 -11.465 500 HB2 ASN 65 HB2 ASN 65 18.033 -1.845 -8.729 501 HB3 ASN 65 HB1 ASN 65 19.176 -1.065 -9.817 502 HD21 ASN 65 HD21 ASN 65 16.524 -0.567 -7.651 503 HD22 ASN 65 HD22 ASN 65 16.518 1.152 -7.723 504 H ASP 66 HN ASP 66 17.210 -4.243 -10.487 505 HA ASP 66 HA ASP 66 19.498 -4.838 -12.191 506 HB2 ASP 66 HB2 ASP 66 19.070 -5.877 -9.904 507 HB3 ASP 66 HB1 ASP 66 17.730 -6.762 -10.615 508 H GLY 67 HN GLY 67 16.413 -4.123 -12.943 509 HA2 GLY 67 HA2 GLY 67 15.109 -4.450 -14.777 510 HA3 GLY 67 HA1 GLY 67 16.451 -5.315 -15.494 511 H LYS 68 HN LYS 68 15.334 -6.675 -12.560 512 HA LYS 68 HA LYS 68 14.331 -9.048 -13.858 513 HB2 LYS 68 HB2 LYS 68 14.436 -8.261 -10.919 514 HB3 LYS 68 HB1 LYS 68 13.857 -9.825 -11.496 515 HG2 LYS 68 HG2 LYS 68 16.154 -10.124 -12.583 516 HG3 LYS 68 HG1 LYS 68 16.666 -8.699 -11.672 517 HD2 LYS 68 HD2 LYS 68 16.154 -9.836 -9.554 518 HD3 LYS 68 HD1 LYS 68 15.531 -11.235 -10.429 519 HE2 LYS 68 HE2 LYS 68 17.814 -11.589 -11.399 520 HE3 LYS 68 HE1 LYS 68 18.409 -10.264 -10.394 521 HZ1 LYS 68 HZ1 LYS 68 17.169 -12.766 -9.401 522 HZ2 LYS 68 HZ2 LYS 68 17.743 -11.498 -8.443 523 HZ3 LYS 68 HZ3 LYS 68 18.817 -12.403 -9.379 524 H ALA 69 HN ALA 69 12.918 -6.177 -12.462 525 HA ALA 69 HA ALA 69 10.280 -6.889 -13.455 526 HB1 ALA 69 HB1 ALA 69 9.116 -6.554 -11.297 527 HB2 ALA 69 HB2 ALA 69 10.667 -6.354 -10.473 528 HB3 ALA 69 HB3 ALA 69 10.244 -7.908 -11.190 529 H THR 70 HN THR 70 8.749 -5.011 -13.000 530 HA THR 70 HA THR 70 10.124 -2.431 -13.429 531 HB THR 70 HB THR 70 7.203 -3.190 -13.957 532 HG1 THR 70 HG1 THR 70 8.547 -2.814 -16.224 533 HG21 THR 70 HG21 THR 70 7.148 -1.172 -15.395 534 HG22 THR 70 HG22 THR 70 8.809 -0.790 -14.933 535 HG23 THR 70 HG23 THR 70 7.522 -0.742 -13.723 536 H THR 71 HN THR 71 9.302 -0.537 -12.306 537 HA THR 71 HA THR 71 8.926 -0.697 -9.567 538 HB THR 71 HB THR 71 7.893 1.687 -9.790 539 HG1 THR 71 HG1 THR 71 8.846 2.068 -12.286 540 HG21 THR 71 HG21 THR 71 10.643 1.228 -10.986 541 HG22 THR 71 HG22 THR 71 10.277 1.377 -9.269 542 HG23 THR 71 HG23 THR 71 10.033 2.755 -10.344 543 H GLU 72 HN GLU 72 6.427 -0.360 -12.105 544 HA GLU 72 HA GLU 72 4.200 0.245 -10.667 545 HB2 GLU 72 HB2 GLU 72 2.857 -0.658 -12.503 546 HB3 GLU 72 HB1 GLU 72 4.284 0.163 -13.127 547 HG2 GLU 72 HG2 GLU 72 5.384 -2.008 -13.507 548 HG3 GLU 72 HG1 GLU 72 3.978 -2.834 -12.851 549 H GLN 73 HN GLN 73 5.496 -2.997 -11.088 550 HA GLN 73 HA GLN 73 3.334 -4.510 -10.143 551 HB2 GLN 73 HB2 GLN 73 5.376 -5.272 -11.493 552 HB3 GLN 73 HB1 GLN 73 6.267 -5.319 -9.982 553 HG2 GLN 73 HG2 GLN 73 3.714 -6.870 -10.073 554 HG3 GLN 73 HG1 GLN 73 5.029 -7.470 -11.078 555 HE21 GLN 73 HE21 GLN 73 6.871 -8.323 -10.083 556 HE22 GLN 73 HE22 GLN 73 6.910 -8.738 -8.411 557 H TYR 74 HN TYR 74 5.822 -2.803 -8.412 558 HA TYR 74 HA TYR 74 4.827 -3.822 -5.814 559 HB2 TYR 74 HB2 TYR 74 7.441 -2.344 -6.311 560 HB3 TYR 74 HB1 TYR 74 6.976 -3.255 -4.875 561 HD1 TYR 74 HD2 TYR 74 6.545 -5.829 -5.233 562 HD2 TYR 74 HD1 TYR 74 8.789 -3.400 -7.946 563 HE1 TYR 74 HE2 TYR 74 7.647 -7.834 -6.127 564 HE2 TYR 74 HE1 TYR 74 9.882 -5.405 -8.841 565 HH TYR 74 HH TYR 74 10.375 -7.679 -8.161 566 H PHE 75 HN PHE 75 5.001 -0.931 -7.784 567 HA PHE 75 HA PHE 75 4.686 0.830 -5.427 568 HB2 PHE 75 HB2 PHE 75 6.277 1.327 -7.991 569 HB3 PHE 75 HB1 PHE 75 5.982 2.546 -6.761 570 HD1 PHE 75 HD1 PHE 75 7.007 2.247 -4.447 571 HD2 PHE 75 HD2 PHE 75 8.112 -0.237 -7.744 572 HE1 PHE 75 HE1 PHE 75 9.071 1.590 -3.284 573 HE2 PHE 75 HE2 PHE 75 10.170 -0.891 -6.572 574 HZ PHE 75 HZ PHE 75 10.653 0.025 -4.336 575 H VAL 76 HN VAL 76 2.742 -0.428 -7.547 576 HA VAL 76 HA VAL 76 1.213 2.107 -7.903 577 HB VAL 76 HB VAL 76 0.733 -0.661 -9.116 578 HG11 VAL 76 HG11 VAL 76 -1.065 1.800 -9.287 579 HG12 VAL 76 HG12 VAL 76 -1.451 0.274 -8.482 580 HG13 VAL 76 HG13 VAL 76 -1.271 0.325 -10.235 581 HG21 VAL 76 HG21 VAL 76 1.000 0.472 -11.282 582 HG22 VAL 76 HG22 VAL 76 2.430 0.715 -10.277 583 HG23 VAL 76 HG23 VAL 76 1.256 2.017 -10.463 584 H LEU 77 HN LEU 77 -0.596 2.382 -6.667 585 HA LEU 77 HA LEU 77 -0.500 1.465 -4.093 586 HB2 LEU 77 HB2 LEU 77 -2.392 3.135 -5.671 587 HB3 LEU 77 HB1 LEU 77 -3.082 2.436 -4.222 588 HG LEU 77 HG LEU 77 -2.221 4.714 -3.843 589 HD11 LEU 77 HD11 LEU 77 -1.017 4.268 -1.772 590 HD12 LEU 77 HD12 LEU 77 -0.719 2.601 -2.274 591 HD13 LEU 77 HD13 LEU 77 -2.369 3.157 -1.972 592 HD21 LEU 77 HD21 LEU 77 -0.348 4.718 -5.429 593 HD22 LEU 77 HD22 LEU 77 0.539 3.574 -4.417 594 HD23 LEU 77 HD23 LEU 77 0.179 5.198 -3.820 595 H LYS 78 HN LYS 78 -2.487 0.083 -6.683 596 HA LYS 78 HA LYS 78 -3.924 -1.670 -4.870 597 HB2 LYS 78 HB2 LYS 78 -4.858 -2.709 -7.004 598 HB3 LYS 78 HB1 LYS 78 -5.214 -1.017 -6.734 599 HG2 LYS 78 HG2 LYS 78 -4.727 -0.975 -8.986 600 HG3 LYS 78 HG1 LYS 78 -3.138 -0.610 -8.318 601 HD2 LYS 78 HD2 LYS 78 -2.493 -2.993 -8.601 602 HD3 LYS 78 HD1 LYS 78 -4.091 -3.334 -9.274 603 HE2 LYS 78 HE2 LYS 78 -3.603 -1.727 -11.124 604 HE3 LYS 78 HE1 LYS 78 -1.972 -1.516 -10.474 605 HZ1 LYS 78 HZ1 LYS 78 -1.908 -3.105 -12.217 606 HZ2 LYS 78 HZ2 LYS 78 -3.176 -3.998 -11.547 607 HZ3 LYS 78 HZ3 LYS 78 -1.678 -3.949 -10.766 608 H ASN 79 HN ASN 79 -1.166 -2.041 -7.077 609 HA ASN 79 HA ASN 79 -0.778 -4.854 -6.671 610 HB2 ASN 79 HB2 ASN 79 1.095 -2.660 -7.665 611 HB3 ASN 79 HB1 ASN 79 1.603 -4.340 -7.527 612 HD21 ASN 79 HD21 ASN 79 1.403 -2.663 -9.890 613 HD22 ASN 79 HD22 ASN 79 0.379 -3.513 -10.987 614 H LEU 80 HN LEU 80 0.892 -2.011 -5.398 615 HA LEU 80 HA LEU 80 2.435 -2.916 -3.370 616 HB2 LEU 80 HB2 LEU 80 2.311 -0.561 -4.119 617 HB3 LEU 80 HB1 LEU 80 0.687 -0.425 -3.467 618 HG LEU 80 HG LEU 80 1.622 -0.717 -1.157 619 HD11 LEU 80 HD11 LEU 80 4.342 -0.557 -2.491 620 HD12 LEU 80 HD12 LEU 80 3.664 -1.953 -1.648 621 HD13 LEU 80 HD13 LEU 80 4.032 -0.482 -0.753 622 HD21 LEU 80 HD21 LEU 80 2.567 1.550 -0.988 623 HD22 LEU 80 HD22 LEU 80 1.140 1.509 -2.017 624 HD23 LEU 80 HD23 LEU 80 2.746 1.613 -2.745 625 H ALA 81 HN ALA 81 -1.049 -2.029 -3.156 626 HA ALA 81 HA ALA 81 -1.493 -2.719 -0.464 627 HB1 ALA 81 HB1 ALA 81 -3.891 -2.834 -1.024 628 HB2 ALA 81 HB2 ALA 81 -3.494 -2.842 -2.748 629 HB3 ALA 81 HB3 ALA 81 -3.132 -1.424 -1.763 630 H ALA 82 HN ALA 82 -1.530 -4.670 -3.406 631 HA ALA 82 HA ALA 82 -2.564 -7.057 -2.260 632 HB1 ALA 82 HB1 ALA 82 -1.823 -8.138 -4.334 633 HB2 ALA 82 HB2 ALA 82 -0.854 -6.723 -4.753 634 HB3 ALA 82 HB3 ALA 82 -2.614 -6.603 -4.694 635 H ARG 83 HN ARG 83 0.779 -5.890 -2.857 636 HA ARG 83 HA ARG 83 2.259 -8.107 -2.027 637 HB2 ARG 83 HB2 ARG 83 3.075 -5.220 -1.476 638 HB3 ARG 83 HB1 ARG 83 4.141 -6.607 -1.624 639 HG2 ARG 83 HG2 ARG 83 2.572 -5.318 -3.877 640 HG3 ARG 83 HG1 ARG 83 4.281 -5.078 -3.548 641 HD2 ARG 83 HD2 ARG 83 4.159 -6.600 -5.372 642 HD3 ARG 83 HD1 ARG 83 4.590 -7.569 -3.967 643 HE ARG 83 HE ARG 83 2.350 -8.404 -3.903 644 HH11 ARG 83 HH11 ARG 83 3.065 -6.660 -6.886 645 HH12 ARG 83 HH12 ARG 83 1.778 -7.421 -7.765 646 HH21 ARG 83 HH21 ARG 83 0.697 -9.382 -5.065 647 HH22 ARG 83 HH22 ARG 83 0.452 -8.976 -6.728 648 H ILE 84 HN ILE 84 1.176 -5.336 -0.166 649 HA ILE 84 HA ILE 84 2.248 -5.999 2.389 650 HB ILE 84 HB ILE 84 -0.032 -4.134 1.575 651 HG12 ILE 84 HG12 ILE 84 2.860 -3.362 2.168 652 HG13 ILE 84 HG11 ILE 84 2.291 -3.724 0.545 653 HG21 ILE 84 HG21 ILE 84 1.522 -4.134 4.187 654 HG22 ILE 84 HG22 ILE 84 -0.152 -4.650 3.991 655 HG23 ILE 84 HG23 ILE 84 0.293 -2.965 3.715 656 HD11 ILE 84 HD11 ILE 84 1.236 -1.516 2.303 657 HD12 ILE 84 HD12 ILE 84 0.744 -1.869 0.644 658 HD13 ILE 84 HD13 ILE 84 2.390 -1.335 0.982 659 H ASP 85 HN ASP 85 -0.977 -6.374 0.918 660 HA ASP 85 HA ASP 85 -2.437 -7.241 3.159 661 HB2 ASP 85 HB2 ASP 85 -3.396 -6.408 0.987 662 HB3 ASP 85 HB1 ASP 85 -2.959 -7.934 0.229 663 H GLU 86 HN GLU 86 -0.704 -9.074 0.687 664 HA GLU 86 HA GLU 86 -1.334 -11.697 1.631 665 HB2 GLU 86 HB2 GLU 86 1.009 -10.756 -0.071 666 HB3 GLU 86 HB1 GLU 86 0.612 -12.447 0.224 667 HG2 GLU 86 HG2 GLU 86 -1.090 -10.422 -1.257 668 HG3 GLU 86 HG1 GLU 86 -0.172 -11.746 -1.964 669 H LEU 87 HN LEU 87 1.298 -9.418 2.340 670 HA LEU 87 HA LEU 87 2.765 -11.190 4.034 671 HB2 LEU 87 HB2 LEU 87 2.782 -8.152 3.896 672 HB3 LEU 87 HB1 LEU 87 3.915 -9.104 4.850 673 HG LEU 87 HG LEU 87 3.662 -9.173 1.815 674 HD11 LEU 87 HD11 LEU 87 4.656 -7.092 2.604 675 HD12 LEU 87 HD12 LEU 87 5.838 -8.085 1.757 676 HD13 LEU 87 HD13 LEU 87 5.867 -7.992 3.522 677 HD21 LEU 87 HD21 LEU 87 5.664 -10.599 1.834 678 HD22 LEU 87 HD22 LEU 87 4.315 -11.365 2.665 679 HD23 LEU 87 HD23 LEU 87 5.628 -10.645 3.601 680 H VAL 88 HN VAL 88 0.050 -8.975 4.632 681 HA VAL 88 HA VAL 88 0.069 -9.164 7.494 682 HB VAL 88 HB VAL 88 -2.313 -8.530 5.680 683 HG11 VAL 88 HG11 VAL 88 -3.050 -9.169 7.949 684 HG12 VAL 88 HG12 VAL 88 -3.303 -7.443 7.690 685 HG13 VAL 88 HG13 VAL 88 -1.937 -7.996 8.661 686 HG21 VAL 88 HG21 VAL 88 -0.462 -6.953 5.313 687 HG22 VAL 88 HG22 VAL 88 -0.373 -6.621 7.040 688 HG23 VAL 88 HG23 VAL 88 -1.805 -6.149 6.120 689 H ALA 89 HN ALA 89 -1.551 -10.941 4.908 690 HA ALA 89 HA ALA 89 -2.984 -12.816 6.465 691 HB1 ALA 89 HB1 ALA 89 -3.432 -12.486 4.067 692 HB2 ALA 89 HB2 ALA 89 -3.046 -14.178 4.393 693 HB3 ALA 89 HB3 ALA 89 -1.833 -13.119 3.660 694 H ALA 90 HN ALA 90 0.336 -12.745 5.209 695 HA ALA 90 HA ALA 90 1.115 -15.374 5.919 696 HB1 ALA 90 HB1 ALA 90 2.315 -14.036 4.224 697 HB2 ALA 90 HB2 ALA 90 3.414 -14.601 5.485 698 HB3 ALA 90 HB3 ALA 90 2.861 -12.923 5.481 699 H LYS 91 HN LYS 91 1.276 -12.252 7.665 700 HA LYS 91 HA LYS 91 2.958 -13.292 9.788 701 HB2 LYS 91 HB2 LYS 91 2.916 -11.072 10.749 702 HB3 LYS 91 HB1 LYS 91 3.123 -10.914 9.019 703 HG2 LYS 91 HG2 LYS 91 1.620 -9.215 9.392 704 HG3 LYS 91 HG1 LYS 91 0.516 -10.523 9.023 705 HD2 LYS 91 HD2 LYS 91 -0.316 -9.243 10.916 706 HD3 LYS 91 HD1 LYS 91 0.126 -10.865 11.455 707 HE2 LYS 91 HE2 LYS 91 2.301 -9.940 12.284 708 HE3 LYS 91 HE1 LYS 91 1.754 -8.327 11.818 709 HZ1 LYS 91 HZ1 LYS 91 0.477 -10.100 13.818 710 HZ2 LYS 91 HZ2 LYS 91 -0.113 -8.589 13.344 711 HZ3 LYS 91 HZ3 LYS 91 1.377 -8.703 14.138 712 H GLY 92 HN GLY 92 -0.431 -12.919 9.149 713 HA2 GLY 92 HA2 GLY 92 -1.349 -13.259 11.884 714 HA3 GLY 92 HA1 GLY 92 -2.331 -13.223 10.426 715 H ALA 93 HN ALA 93 -0.888 -15.199 8.993 716 HA ALA 93 HA ALA 93 -1.953 -17.660 10.078 717 HB1 ALA 93 HB1 ALA 93 -1.079 -18.690 8.008 718 HB2 ALA 93 HB2 ALA 93 -0.243 -17.189 7.602 719 HB3 ALA 93 HB3 ALA 93 -2.005 -17.230 7.646 720 H LEU 94 HN LEU 94 1.079 -15.969 10.133 721 HA LEU 94 HA LEU 94 2.868 -18.115 10.692 722 HB2 LEU 94 HB2 LEU 94 3.585 -15.827 9.912 723 HB3 LEU 94 HB1 LEU 94 3.136 -15.176 11.478 724 HG LEU 94 HG LEU 94 4.885 -16.676 12.531 725 HD11 LEU 94 HD11 LEU 94 5.721 -17.229 9.667 726 HD12 LEU 94 HD12 LEU 94 5.030 -18.392 10.803 727 HD13 LEU 94 HD13 LEU 94 6.612 -17.691 11.123 728 HD21 LEU 94 HD21 LEU 94 6.811 -15.280 11.874 729 HD22 LEU 94 HD22 LEU 94 5.363 -14.309 12.115 730 HD23 LEU 94 HD23 LEU 94 5.910 -14.677 10.477 731 H GLU 95 HN GLU 95 1.666 -19.339 12.164 732 HA GLU 95 HA GLU 95 1.163 -18.441 14.858 733 HB2 GLU 95 HB2 GLU 95 0.556 -20.885 15.218 734 HB3 GLU 95 HB1 GLU 95 -0.374 -20.067 13.977 735 HG2 GLU 95 HG2 GLU 95 0.035 -22.114 12.964 736 HG3 GLU 95 HG1 GLU 95 1.330 -21.123 12.306 737 H HIS 96 HN HIS 96 2.168 -19.836 16.702 738 HA HIS 96 HA HIS 96 4.002 -20.055 18.004 739 HB2 HIS 96 HB2 HIS 96 5.058 -21.352 15.470 740 HB3 HIS 96 HB1 HIS 96 6.055 -21.248 16.914 741 HD1 HIS 96 HD1 HIS 96 3.962 -23.546 15.287 742 HD2 HIS 96 HD2 HIS 96 4.445 -22.420 19.256 743 HE1 HIS 96 HE1 HIS 96 3.111 -25.479 16.639 744 HE2 HIS 96 HE2 HIS 96 3.635 -24.867 19.022 745 H HIS 97 HN HIS 97 3.611 -17.545 16.504 746 HA HIS 97 HA HIS 97 6.266 -16.446 16.059 747 HB2 HIS 97 HB2 HIS 97 4.419 -15.582 14.692 748 HB3 HIS 97 HB1 HIS 97 3.506 -15.135 16.129 749 HD1 HIS 97 HD1 HIS 97 4.065 -12.908 17.235 750 HD2 HIS 97 HD2 HIS 97 6.611 -13.836 14.087 751 HE1 HIS 97 HE1 HIS 97 5.380 -10.816 16.802 752 HE2 HIS 97 HE2 HIS 97 6.813 -11.362 14.804 753 H HIS 98 HN HIS 98 4.025 -16.782 18.697 754 HA HIS 98 HA HIS 98 4.949 -14.633 20.359 755 HB2 HIS 98 HB2 HIS 98 2.683 -15.539 20.608 756 HB3 HIS 98 HB1 HIS 98 3.317 -17.127 21.020 757 HD1 HIS 98 HD1 HIS 98 3.951 -17.540 23.436 758 HD2 HIS 98 HD2 HIS 98 2.961 -13.573 22.691 759 HE1 HIS 98 HE1 HIS 98 3.763 -16.461 25.692 760 HE2 HIS 98 HE2 HIS 98 3.086 -14.084 25.224 761 H HIS 99 HN HIS 99 7.245 -14.997 20.202 762 HA HIS 99 HA HIS 99 8.364 -16.128 22.529 763 HB2 HIS 99 HB2 HIS 99 9.796 -17.873 21.645 764 HB3 HIS 99 HB1 HIS 99 8.158 -18.250 21.145 765 HD1 HIS 99 HD1 HIS 99 11.507 -17.953 19.874 766 HD2 HIS 99 HD2 HIS 99 7.705 -17.478 18.286 767 HE1 HIS 99 HE1 HIS 99 11.796 -18.154 17.389 768 HE2 HIS 99 HE2 HIS 99 9.455 -18.083 16.482 769 H HIS 100 HN HIS 100 10.361 -15.217 22.931 770 HA HIS 100 HA HIS 100 12.142 -14.185 20.993 771 HB2 HIS 100 HB2 HIS 100 10.313 -12.403 20.884 772 HB3 HIS 100 HB1 HIS 100 10.701 -11.985 22.552 773 HD1 HIS 100 HD1 HIS 100 11.903 -9.801 22.396 774 HD2 HIS 100 HD2 HIS 100 13.222 -12.490 19.511 775 HE1 HIS 100 HE1 HIS 100 13.804 -8.655 21.231 776 HE2 HIS 100 HE2 HIS 100 14.460 -10.222 19.374 777 H HIS 101 HN HIS 101 11.084 -14.520 24.284 778 HA HIS 101 HA HIS 101 13.883 -14.364 25.223 779 HB2 HIS 101 HB2 HIS 101 12.974 -13.576 27.461 780 HB3 HIS 101 HB1 HIS 101 12.869 -12.407 26.158 781 HD1 HIS 101 HD1 HIS 101 10.441 -11.967 25.164 782 HD2 HIS 101 HD2 HIS 101 10.554 -14.200 28.669 783 HE1 HIS 101 HE1 HIS 101 8.097 -11.922 26.070 784 HE2 HIS 101 HE2 HIS 101 8.256 -13.080 28.303 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -11.793 3.620 4.671 2 H2 MET 1 HT2 MET 1 -12.029 4.102 6.272 3 H3 MET 1 HT3 MET 1 -13.358 3.742 5.292 4 HA MET 1 HA MET 1 -11.276 1.810 6.125 5 HB2 MET 1 HB2 MET 1 -14.193 1.936 7.023 6 HB3 MET 1 HB1 MET 1 -12.971 0.800 7.586 7 HG2 MET 1 HG2 MET 1 -13.296 2.427 9.300 8 HG3 MET 1 HG1 MET 1 -11.726 2.763 8.563 9 HE1 MET 1 HE1 MET 1 -12.901 6.406 9.386 10 HE2 MET 1 HE2 MET 1 -11.549 5.274 9.439 11 HE3 MET 1 HE3 MET 1 -13.008 4.954 10.382 12 H THR 2 HN THR 2 -10.978 0.664 4.258 13 HA THR 2 HA THR 2 -13.305 -0.462 2.827 14 HB THR 2 HB THR 2 -11.058 1.048 1.407 15 HG1 THR 2 HG1 THR 2 -12.292 2.647 2.092 16 HG21 THR 2 HG21 THR 2 -12.416 0.784 -0.634 17 HG22 THR 2 HG22 THR 2 -13.590 -0.181 0.259 18 HG23 THR 2 HG23 THR 2 -11.952 -0.793 0.018 19 H SER 3 HN SER 3 -9.730 -0.265 2.801 20 HA SER 3 HA SER 3 -9.336 -3.121 2.686 21 HB2 SER 3 HB2 SER 3 -10.019 -2.574 0.323 22 HB3 SER 3 HB1 SER 3 -8.686 -1.429 0.217 23 HG SER 3 HG SER 3 -8.680 -4.072 -0.190 24 H THR 4 HN THR 4 -6.824 -3.432 2.022 25 HA THR 4 HA THR 4 -5.135 -2.112 3.830 26 HB THR 4 HB THR 4 -4.379 -3.542 1.238 27 HG1 THR 4 HG1 THR 4 -4.848 -5.297 2.302 28 HG21 THR 4 HG21 THR 4 -2.199 -3.953 2.330 29 HG22 THR 4 HG22 THR 4 -2.694 -2.962 3.704 30 HG23 THR 4 HG23 THR 4 -2.488 -2.221 2.114 31 H PHE 5 HN PHE 5 -5.760 -1.531 0.361 32 HA PHE 5 HA PHE 5 -3.986 0.574 -0.136 33 HB2 PHE 5 HB2 PHE 5 -5.060 -0.343 -2.052 34 HB3 PHE 5 HB1 PHE 5 -6.668 -0.133 -1.368 35 HD1 PHE 5 HD1 PHE 5 -3.701 2.001 -2.334 36 HD2 PHE 5 HD2 PHE 5 -7.965 1.646 -2.240 37 HE1 PHE 5 HE1 PHE 5 -3.926 4.197 -3.401 38 HE2 PHE 5 HE2 PHE 5 -8.157 3.842 -3.327 39 HZ PHE 5 HZ PHE 5 -6.140 5.114 -3.897 40 H ASP 6 HN ASP 6 -7.270 0.693 1.177 41 HA ASP 6 HA ASP 6 -7.742 3.425 1.373 42 HB2 ASP 6 HB2 ASP 6 -9.439 1.736 1.861 43 HB3 ASP 6 HB1 ASP 6 -8.522 1.147 3.232 44 H ARG 7 HN ARG 7 -6.239 1.259 3.750 45 HA ARG 7 HA ARG 7 -5.565 3.212 5.674 46 HB2 ARG 7 HB2 ARG 7 -4.244 0.512 5.192 47 HB3 ARG 7 HB1 ARG 7 -4.130 1.472 6.668 48 HG2 ARG 7 HG2 ARG 7 -6.642 0.173 5.549 49 HG3 ARG 7 HG1 ARG 7 -5.709 -0.377 6.945 50 HD2 ARG 7 HD2 ARG 7 -6.261 1.755 8.113 51 HD3 ARG 7 HD1 ARG 7 -7.243 2.242 6.724 52 HE ARG 7 HE ARG 7 -8.085 -0.294 7.701 53 HH11 ARG 7 HH11 ARG 7 -8.300 3.123 8.468 54 HH12 ARG 7 HH12 ARG 7 -9.743 2.947 9.411 55 HH21 ARG 7 HH21 ARG 7 -9.985 -0.520 8.909 56 HH22 ARG 7 HH22 ARG 7 -10.698 0.865 9.668 57 H VAL 8 HN VAL 8 -3.700 1.883 2.920 58 HA VAL 8 HA VAL 8 -1.165 2.993 3.664 59 HB VAL 8 HB VAL 8 -2.187 1.748 1.067 60 HG11 VAL 8 HG11 VAL 8 0.172 1.604 0.305 61 HG12 VAL 8 HG12 VAL 8 0.679 2.541 1.714 62 HG13 VAL 8 HG13 VAL 8 -0.347 3.283 0.487 63 HG21 VAL 8 HG21 VAL 8 -2.021 0.207 2.992 64 HG22 VAL 8 HG22 VAL 8 -0.329 0.655 3.215 65 HG23 VAL 8 HG23 VAL 8 -0.830 -0.205 1.755 66 H ALA 9 HN ALA 9 -3.785 3.994 1.538 67 HA ALA 9 HA ALA 9 -2.542 6.216 0.296 68 HB1 ALA 9 HB1 ALA 9 -4.808 6.923 -0.347 69 HB2 ALA 9 HB2 ALA 9 -5.513 5.768 0.791 70 HB3 ALA 9 HB3 ALA 9 -4.605 5.188 -0.608 71 H THR 10 HN THR 10 -4.460 5.828 3.264 72 HA THR 10 HA THR 10 -4.477 8.527 4.097 73 HB THR 10 HB THR 10 -4.582 6.017 5.827 74 HG1 THR 10 HG1 THR 10 -6.343 5.941 4.524 75 HG21 THR 10 HG21 THR 10 -4.081 8.017 7.196 76 HG22 THR 10 HG22 THR 10 -5.716 7.440 7.510 77 HG23 THR 10 HG23 THR 10 -5.466 8.856 6.490 78 H ILE 11 HN ILE 11 -2.138 5.868 4.786 79 HA ILE 11 HA ILE 11 -0.342 7.216 6.443 80 HB ILE 11 HB ILE 11 0.296 5.121 4.305 81 HG12 ILE 11 HG12 ILE 11 -0.213 4.737 7.287 82 HG13 ILE 11 HG11 ILE 11 -1.410 4.444 6.035 83 HG21 ILE 11 HG21 ILE 11 2.342 4.611 5.604 84 HG22 ILE 11 HG22 ILE 11 1.991 5.958 6.690 85 HG23 ILE 11 HG23 ILE 11 2.356 6.267 4.992 86 HD11 ILE 11 HD11 ILE 11 -0.452 2.375 6.817 87 HD12 ILE 11 HD12 ILE 11 1.175 2.935 6.434 88 HD13 ILE 11 HD13 ILE 11 0.013 2.640 5.136 89 H ILE 12 HN ILE 12 -0.273 6.956 2.873 90 HA ILE 12 HA ILE 12 1.955 8.577 2.371 91 HB ILE 12 HB ILE 12 -0.451 7.884 0.630 92 HG12 ILE 12 HG12 ILE 12 2.384 6.771 0.777 93 HG13 ILE 12 HG11 ILE 12 0.900 5.940 1.229 94 HG21 ILE 12 HG21 ILE 12 0.827 8.638 -1.349 95 HG22 ILE 12 HG22 ILE 12 2.100 9.251 -0.294 96 HG23 ILE 12 HG23 ILE 12 0.493 9.974 -0.246 97 HD11 ILE 12 HD11 ILE 12 1.766 6.707 -1.561 98 HD12 ILE 12 HD12 ILE 12 0.221 5.957 -1.153 99 HD13 ILE 12 HD13 ILE 12 1.726 5.090 -0.858 100 H ALA 13 HN ALA 13 -1.526 9.384 2.377 101 HA ALA 13 HA ALA 13 -1.600 12.028 1.824 102 HB1 ALA 13 HB1 ALA 13 -3.658 12.146 3.156 103 HB2 ALA 13 HB2 ALA 13 -3.223 10.641 3.975 104 HB3 ALA 13 HB3 ALA 13 -3.580 10.635 2.250 105 H GLU 14 HN GLU 14 -1.404 10.790 5.158 106 HA GLU 14 HA GLU 14 -1.101 13.339 6.373 107 HB2 GLU 14 HB2 GLU 14 -0.485 10.587 7.546 108 HB3 GLU 14 HB1 GLU 14 -0.681 12.076 8.473 109 HG2 GLU 14 HG2 GLU 14 -3.036 12.221 7.658 110 HG3 GLU 14 HG1 GLU 14 -2.818 10.671 6.841 111 H THR 15 HN THR 15 1.210 11.102 5.025 112 HA THR 15 HA THR 15 3.541 12.105 6.402 113 HB THR 15 HB THR 15 3.244 10.242 3.998 114 HG1 THR 15 HG1 THR 15 3.986 8.739 5.737 115 HG21 THR 15 HG21 THR 15 5.763 10.893 5.589 116 HG22 THR 15 HG22 THR 15 5.475 11.286 3.889 117 HG23 THR 15 HG23 THR 15 5.614 9.602 4.397 118 H CYS 16 HN CYS 16 2.118 12.575 3.103 119 HA CYS 16 HA CYS 16 4.356 14.344 2.346 120 HB2 CYS 16 HB2 CYS 16 3.735 12.286 0.955 121 HB3 CYS 16 HB1 CYS 16 2.240 13.108 0.537 122 HG CYS 16 HG CYS 16 5.376 14.274 -0.183 123 H ASP 17 HN ASP 17 1.577 14.846 3.845 124 HA ASP 17 HA ASP 17 -0.280 16.101 3.827 125 HB2 ASP 17 HB2 ASP 17 1.557 17.722 4.442 126 HB3 ASP 17 HB1 ASP 17 1.561 18.283 2.772 127 H ILE 18 HN ILE 18 -1.298 14.856 2.198 128 HA ILE 18 HA ILE 18 -2.254 16.450 -0.052 129 HB ILE 18 HB ILE 18 -2.135 14.264 -1.533 130 HG12 ILE 18 HG12 ILE 18 0.152 13.689 0.419 131 HG13 ILE 18 HG11 ILE 18 -1.293 12.711 0.208 132 HG21 ILE 18 HG21 ILE 18 0.388 15.893 -1.089 133 HG22 ILE 18 HG22 ILE 18 -0.971 16.341 -2.121 134 HG23 ILE 18 HG23 ILE 18 0.008 14.933 -2.521 135 HD11 ILE 18 HD11 ILE 18 0.891 13.136 -1.825 136 HD12 ILE 18 HD12 ILE 18 -0.565 12.170 -2.075 137 HD13 ILE 18 HD13 ILE 18 0.615 11.689 -0.857 138 HA PRO 19 HA PRO 19 -6.126 14.486 1.400 139 HB2 PRO 19 HB2 PRO 19 -7.624 14.817 -0.937 140 HB3 PRO 19 HB1 PRO 19 -7.410 16.070 0.289 141 HG2 PRO 19 HG2 PRO 19 -5.932 15.676 -2.307 142 HG3 PRO 19 HG1 PRO 19 -6.544 17.183 -1.588 143 HD2 PRO 19 HD2 PRO 19 -3.939 16.522 -1.431 144 HD3 PRO 19 HD1 PRO 19 -4.749 17.337 -0.074 145 H ARG 20 HN ARG 20 -6.549 12.307 1.453 146 HA ARG 20 HA ARG 20 -4.938 10.565 -0.156 147 HB2 ARG 20 HB2 ARG 20 -5.612 8.771 1.265 148 HB3 ARG 20 HB1 ARG 20 -5.391 10.187 2.265 149 HG2 ARG 20 HG2 ARG 20 -7.319 9.413 3.221 150 HG3 ARG 20 HG1 ARG 20 -8.051 10.397 1.951 151 HD2 ARG 20 HD2 ARG 20 -8.373 8.403 0.569 152 HD3 ARG 20 HD1 ARG 20 -7.501 7.413 1.748 153 HE ARG 20 HE ARG 20 -9.803 8.768 2.835 154 HH11 ARG 20 HH11 ARG 20 -8.806 5.892 1.118 155 HH12 ARG 20 HH12 ARG 20 -10.102 4.936 1.752 156 HH21 ARG 20 HH21 ARG 20 -11.497 7.491 3.626 157 HH22 ARG 20 HH22 ARG 20 -11.605 5.830 3.156 158 H GLU 21 HN GLU 21 -8.023 11.816 -0.722 159 HA GLU 21 HA GLU 21 -9.065 9.457 -2.123 160 HB2 GLU 21 HB2 GLU 21 -11.154 10.809 -2.451 161 HB3 GLU 21 HB1 GLU 21 -10.738 10.554 -0.764 162 HG2 GLU 21 HG2 GLU 21 -9.828 13.114 -2.043 163 HG3 GLU 21 HG1 GLU 21 -11.550 12.930 -1.720 164 H THR 22 HN THR 22 -7.086 12.146 -2.862 165 HA THR 22 HA THR 22 -7.690 12.009 -5.722 166 HB THR 22 HB THR 22 -5.672 13.455 -6.013 167 HG1 THR 22 HG1 THR 22 -5.399 13.911 -3.294 168 HG21 THR 22 HG21 THR 22 -7.565 14.468 -3.857 169 HG22 THR 22 HG22 THR 22 -7.851 14.550 -5.599 170 HG23 THR 22 HG23 THR 22 -6.533 15.473 -4.874 171 H ILE 23 HN ILE 23 -5.835 10.198 -3.414 172 HA ILE 23 HA ILE 23 -3.914 9.125 -5.329 173 HB ILE 23 HB ILE 23 -4.525 8.399 -2.418 174 HG12 ILE 23 HG12 ILE 23 -2.086 9.104 -2.066 175 HG13 ILE 23 HG11 ILE 23 -2.077 9.678 -3.724 176 HG21 ILE 23 HG21 ILE 23 -2.511 7.041 -4.248 177 HG22 ILE 23 HG22 ILE 23 -3.965 6.311 -3.562 178 HG23 ILE 23 HG23 ILE 23 -2.635 6.783 -2.504 179 HD11 ILE 23 HD11 ILE 23 -3.752 10.743 -1.465 180 HD12 ILE 23 HD12 ILE 23 -3.824 11.308 -3.135 181 HD13 ILE 23 HD13 ILE 23 -2.343 11.503 -2.200 182 H THR 24 HN THR 24 -4.696 7.785 -6.842 183 HA THR 24 HA THR 24 -7.104 6.155 -6.427 184 HB THR 24 HB THR 24 -6.946 5.685 -8.855 185 HG1 THR 24 HG1 THR 24 -4.366 6.534 -8.496 186 HG21 THR 24 HG21 THR 24 -7.193 7.969 -9.766 187 HG22 THR 24 HG22 THR 24 -6.474 8.642 -8.300 188 HG23 THR 24 HG23 THR 24 -8.033 7.814 -8.221 189 HA PRO 25 HA PRO 25 -4.772 2.334 -5.738 190 HB2 PRO 25 HB2 PRO 25 -6.177 0.459 -7.216 191 HB3 PRO 25 HB1 PRO 25 -6.711 1.072 -5.645 192 HG2 PRO 25 HG2 PRO 25 -7.559 1.942 -8.408 193 HG3 PRO 25 HG1 PRO 25 -8.565 1.639 -6.975 194 HD2 PRO 25 HD2 PRO 25 -7.901 4.150 -7.704 195 HD3 PRO 25 HD1 PRO 25 -8.010 3.695 -5.988 196 H GLU 26 HN GLU 26 -5.210 3.631 -8.934 197 HA GLU 26 HA GLU 26 -3.198 1.853 -10.145 198 HB2 GLU 26 HB2 GLU 26 -3.970 2.828 -12.290 199 HB3 GLU 26 HB1 GLU 26 -5.288 2.092 -11.392 200 HG2 GLU 26 HG2 GLU 26 -5.990 4.348 -10.612 201 HG3 GLU 26 HG1 GLU 26 -4.713 5.067 -11.592 202 H SER 27 HN SER 27 -3.077 4.472 -8.274 203 HA SER 27 HA SER 27 -1.383 6.286 -9.724 204 HB2 SER 27 HB2 SER 27 -1.834 5.890 -6.724 205 HB3 SER 27 HB1 SER 27 -0.781 7.140 -7.393 206 HG SER 27 HG SER 27 -2.495 8.132 -8.290 207 H HIS 28 HN HIS 28 0.688 5.872 -10.300 208 HA HIS 28 HA HIS 28 2.322 3.872 -8.975 209 HB2 HIS 28 HB2 HIS 28 2.508 4.530 -11.459 210 HB3 HIS 28 HB1 HIS 28 3.264 6.032 -10.921 211 HD2 HIS 28 HD2 HIS 28 4.140 2.458 -11.705 212 HE1 HIS 28 HE1 HIS 28 7.469 4.054 -9.669 213 HE2 HIS 28 HE2 HIS 28 6.674 2.301 -11.303 214 H ALA 29 HN ALA 29 3.072 4.373 -6.938 215 HA ALA 29 HA ALA 29 2.884 6.749 -5.621 216 HB1 ALA 29 HB1 ALA 29 4.408 5.773 -3.957 217 HB2 ALA 29 HB2 ALA 29 4.919 4.556 -5.133 218 HB3 ALA 29 HB3 ALA 29 3.253 4.576 -4.552 219 H ILE 30 HN ILE 30 5.547 5.780 -7.752 220 HA ILE 30 HA ILE 30 7.282 7.919 -6.700 221 HB ILE 30 HB ILE 30 7.972 5.692 -8.666 222 HG12 ILE 30 HG12 ILE 30 8.508 5.910 -5.662 223 HG13 ILE 30 HG11 ILE 30 7.453 4.741 -6.453 224 HG21 ILE 30 HG21 ILE 30 9.425 7.660 -8.960 225 HG22 ILE 30 HG22 ILE 30 10.333 6.322 -8.258 226 HG23 ILE 30 HG23 ILE 30 9.803 7.657 -7.235 227 HD11 ILE 30 HD11 ILE 30 10.461 4.891 -6.712 228 HD12 ILE 30 HD12 ILE 30 9.414 3.726 -7.532 229 HD13 ILE 30 HD13 ILE 30 9.536 3.717 -5.773 230 H ASP 31 HN ASP 31 5.780 6.816 -9.739 231 HA ASP 31 HA ASP 31 6.939 9.002 -11.297 232 HB2 ASP 31 HB2 ASP 31 6.890 6.742 -12.287 233 HB3 ASP 31 HB1 ASP 31 5.133 6.690 -12.138 234 H ASP 32 HN ASP 32 3.726 7.945 -10.201 235 HA ASP 32 HA ASP 32 2.333 10.034 -11.682 236 HB2 ASP 32 HB2 ASP 32 1.287 7.842 -11.619 237 HB3 ASP 32 HB1 ASP 32 1.343 7.806 -9.864 238 H LEU 33 HN LEU 33 2.445 8.992 -8.237 239 HA LEU 33 HA LEU 33 1.381 11.436 -7.225 240 HB2 LEU 33 HB2 LEU 33 2.895 9.250 -5.757 241 HB3 LEU 33 HB1 LEU 33 1.997 10.548 -4.983 242 HG LEU 33 HG LEU 33 0.829 8.276 -6.645 243 HD11 LEU 33 HD11 LEU 33 0.586 8.884 -3.680 244 HD12 LEU 33 HD12 LEU 33 1.538 7.587 -4.411 245 HD13 LEU 33 HD13 LEU 33 -0.219 7.569 -4.545 246 HD21 LEU 33 HD21 LEU 33 -1.400 9.198 -6.033 247 HD22 LEU 33 HD22 LEU 33 -0.481 10.276 -7.079 248 HD23 LEU 33 HD23 LEU 33 -0.609 10.624 -5.351 249 H GLY 34 HN GLY 34 4.521 10.563 -8.266 250 HA2 GLY 34 HA2 GLY 34 6.513 11.690 -8.354 251 HA3 GLY 34 HA1 GLY 34 5.649 13.122 -7.823 252 H ILE 35 HN ILE 35 6.006 10.086 -6.036 253 HA ILE 35 HA ILE 35 7.322 11.483 -3.796 254 HB ILE 35 HB ILE 35 6.216 8.639 -3.989 255 HG12 ILE 35 HG12 ILE 35 5.004 11.031 -2.525 256 HG13 ILE 35 HG11 ILE 35 4.478 10.489 -4.115 257 HG21 ILE 35 HG21 ILE 35 6.464 8.544 -1.527 258 HG22 ILE 35 HG22 ILE 35 7.218 10.138 -1.537 259 HG23 ILE 35 HG23 ILE 35 8.026 8.777 -2.321 260 HD11 ILE 35 HD11 ILE 35 2.985 9.719 -2.387 261 HD12 ILE 35 HD12 ILE 35 4.306 8.904 -1.555 262 HD13 ILE 35 HD13 ILE 35 3.787 8.346 -3.149 263 H ASP 36 HN ASP 36 9.511 11.482 -3.814 264 HA ASP 36 HA ASP 36 11.054 9.897 -5.619 265 HB2 ASP 36 HB2 ASP 36 11.647 12.254 -4.812 266 HB3 ASP 36 HB1 ASP 36 12.088 11.555 -3.264 267 H SER 37 HN SER 37 12.818 8.473 -4.932 268 HA SER 37 HA SER 37 11.768 6.239 -3.632 269 HB2 SER 37 HB2 SER 37 14.670 6.854 -4.318 270 HB3 SER 37 HB1 SER 37 14.011 5.250 -3.983 271 HG SER 37 HG SER 37 12.866 6.849 -6.004 272 H LEU 38 HN LEU 38 13.777 8.858 -2.337 273 HA LEU 38 HA LEU 38 14.548 7.459 0.069 274 HB2 LEU 38 HB2 LEU 38 15.467 9.668 0.797 275 HB3 LEU 38 HB1 LEU 38 16.063 9.104 -0.748 276 HG LEU 38 HG LEU 38 14.199 10.745 -1.736 277 HD11 LEU 38 HD11 LEU 38 13.858 12.776 -0.429 278 HD12 LEU 38 HD12 LEU 38 14.689 12.050 0.949 279 HD13 LEU 38 HD13 LEU 38 13.161 11.373 0.379 280 HD21 LEU 38 HD21 LEU 38 15.867 12.543 -1.890 281 HD22 LEU 38 HD22 LEU 38 16.601 10.965 -2.157 282 HD23 LEU 38 HD23 LEU 38 16.821 11.785 -0.609 283 H ASP 39 HN ASP 39 11.932 9.617 -0.857 284 HA ASP 39 HA ASP 39 10.825 9.977 1.787 285 HB2 ASP 39 HB2 ASP 39 9.423 10.259 -0.916 286 HB3 ASP 39 HB1 ASP 39 8.851 10.895 0.627 287 H PHE 40 HN PHE 40 10.481 7.670 -0.835 288 HA PHE 40 HA PHE 40 8.117 6.390 0.125 289 HB2 PHE 40 HB2 PHE 40 8.984 6.341 -2.292 290 HB3 PHE 40 HB1 PHE 40 10.161 5.144 -1.758 291 HD1 PHE 40 HD1 PHE 40 6.525 5.833 -2.113 292 HD2 PHE 40 HD2 PHE 40 9.493 2.830 -1.417 293 HE1 PHE 40 HE1 PHE 40 4.820 4.083 -2.329 294 HE2 PHE 40 HE2 PHE 40 7.765 1.091 -1.648 295 HZ PHE 40 HZ PHE 40 5.437 1.713 -2.103 296 H LEU 41 HN LEU 41 11.582 5.931 0.725 297 HA LEU 41 HA LEU 41 11.544 3.472 2.110 298 HB2 LEU 41 HB2 LEU 41 13.244 5.951 2.619 299 HB3 LEU 41 HB1 LEU 41 13.546 4.389 3.368 300 HG LEU 41 HG LEU 41 13.706 4.964 0.378 301 HD11 LEU 41 HD11 LEU 41 15.945 4.488 2.376 302 HD12 LEU 41 HD12 LEU 41 15.537 6.030 1.621 303 HD13 LEU 41 HD13 LEU 41 16.131 4.701 0.632 304 HD21 LEU 41 HD21 LEU 41 14.363 2.418 1.904 305 HD22 LEU 41 HD22 LEU 41 14.661 2.696 0.185 306 HD23 LEU 41 HD23 LEU 41 13.011 2.653 0.793 307 H ASP 42 HN ASP 42 10.860 6.758 3.208 308 HA ASP 42 HA ASP 42 10.419 6.217 5.972 309 HB2 ASP 42 HB2 ASP 42 10.929 8.486 5.165 310 HB3 ASP 42 HB1 ASP 42 9.453 8.516 4.209 311 H ILE 43 HN ILE 43 8.204 6.481 3.175 312 HA ILE 43 HA ILE 43 5.777 6.134 4.600 313 HB ILE 43 HB ILE 43 6.378 5.567 1.663 314 HG12 ILE 43 HG12 ILE 43 5.145 8.008 3.034 315 HG13 ILE 43 HG11 ILE 43 6.735 7.937 2.280 316 HG21 ILE 43 HG21 ILE 43 3.933 5.640 1.282 317 HG22 ILE 43 HG22 ILE 43 3.658 5.793 3.016 318 HG23 ILE 43 HG23 ILE 43 4.367 4.315 2.364 319 HD11 ILE 43 HD11 ILE 43 4.071 7.722 0.877 320 HD12 ILE 43 HD12 ILE 43 5.648 7.593 0.093 321 HD13 ILE 43 HD13 ILE 43 5.166 9.103 0.864 322 H ALA 44 HN ALA 44 7.952 3.815 3.001 323 HA ALA 44 HA ALA 44 6.155 1.590 3.132 324 HB1 ALA 44 HB1 ALA 44 7.890 1.754 1.375 325 HB2 ALA 44 HB2 ALA 44 8.072 0.267 2.310 326 HB3 ALA 44 HB3 ALA 44 9.154 1.636 2.602 327 H PHE 45 HN PHE 45 8.918 2.742 5.069 328 HA PHE 45 HA PHE 45 8.923 0.531 6.874 329 HB2 PHE 45 HB2 PHE 45 10.853 2.176 6.370 330 HB3 PHE 45 HB1 PHE 45 10.077 3.266 7.514 331 HD1 PHE 45 HD1 PHE 45 11.127 -0.330 7.274 332 HD2 PHE 45 HD2 PHE 45 10.826 3.135 9.765 333 HE1 PHE 45 HE1 PHE 45 12.215 -1.551 9.103 334 HE2 PHE 45 HE2 PHE 45 11.928 1.903 11.591 335 HZ PHE 45 HZ PHE 45 12.619 -0.441 11.262 336 H ALA 46 HN ALA 46 7.110 3.540 6.779 337 HA ALA 46 HA ALA 46 6.063 3.429 9.446 338 HB1 ALA 46 HB1 ALA 46 4.362 5.014 8.648 339 HB2 ALA 46 HB2 ALA 46 4.858 4.720 6.977 340 HB3 ALA 46 HB3 ALA 46 5.973 5.494 8.104 341 H ILE 47 HN ILE 47 4.958 2.218 6.300 342 HA ILE 47 HA ILE 47 2.535 0.965 7.039 343 HB ILE 47 HB ILE 47 4.539 0.248 4.850 344 HG12 ILE 47 HG12 ILE 47 1.936 1.819 4.586 345 HG13 ILE 47 HG11 ILE 47 3.523 2.560 4.703 346 HG21 ILE 47 HG21 ILE 47 3.107 -1.680 5.327 347 HG22 ILE 47 HG22 ILE 47 2.733 -0.999 3.748 348 HG23 ILE 47 HG23 ILE 47 1.665 -0.684 5.115 349 HD11 ILE 47 HD11 ILE 47 2.593 0.743 2.487 350 HD12 ILE 47 HD12 ILE 47 4.176 1.515 2.596 351 HD13 ILE 47 HD13 ILE 47 2.723 2.498 2.417 352 H ASP 48 HN ASP 48 5.850 -0.182 6.878 353 HA ASP 48 HA ASP 48 5.717 -2.873 7.465 354 HB2 ASP 48 HB2 ASP 48 7.712 -1.574 6.748 355 HB3 ASP 48 HB1 ASP 48 7.779 -0.802 8.319 356 H LYS 49 HN LYS 49 6.053 -0.153 9.738 357 HA LYS 49 HA LYS 49 5.819 -1.610 12.163 358 HB2 LYS 49 HB2 LYS 49 5.210 1.320 11.609 359 HB3 LYS 49 HB1 LYS 49 5.330 0.614 13.221 360 HG2 LYS 49 HG2 LYS 49 7.706 0.031 12.752 361 HG3 LYS 49 HG1 LYS 49 7.568 0.828 11.180 362 HD2 LYS 49 HD2 LYS 49 7.062 2.975 12.331 363 HD3 LYS 49 HD1 LYS 49 7.218 2.167 13.896 364 HE2 LYS 49 HE2 LYS 49 9.599 1.685 13.411 365 HE3 LYS 49 HE1 LYS 49 9.442 2.466 11.837 366 HZ1 LYS 49 HZ1 LYS 49 8.918 4.536 12.997 367 HZ2 LYS 49 HZ2 LYS 49 10.448 3.946 13.403 368 HZ3 LYS 49 HZ3 LYS 49 9.161 3.771 14.487 369 H ALA 50 HN ALA 50 3.416 0.186 10.243 370 HA ALA 50 HA ALA 50 1.273 0.214 12.012 371 HB1 ALA 50 HB1 ALA 50 1.139 0.156 8.977 372 HB2 ALA 50 HB2 ALA 50 1.406 1.592 9.969 373 HB3 ALA 50 HB3 ALA 50 -0.132 0.729 10.066 374 H PHE 51 HN PHE 51 1.859 -2.115 9.376 375 HA PHE 51 HA PHE 51 -0.434 -3.756 10.147 376 HB2 PHE 51 HB2 PHE 51 1.507 -3.946 7.803 377 HB3 PHE 51 HB1 PHE 51 0.147 -5.036 8.047 378 HD1 PHE 51 HD2 PHE 51 1.076 -1.532 7.216 379 HD2 PHE 51 HD1 PHE 51 -2.138 -4.337 7.557 380 HE1 PHE 51 HE2 PHE 51 -0.410 0.013 6.004 381 HE2 PHE 51 HE1 PHE 51 -3.614 -2.779 6.351 382 HZ PHE 51 HZ PHE 51 -2.749 -0.613 5.568 383 H GLY 52 HN GLY 52 2.783 -3.595 11.071 384 HA2 GLY 52 HA2 GLY 52 4.133 -4.956 12.337 385 HA3 GLY 52 HA1 GLY 52 2.726 -5.978 12.600 386 H ILE 53 HN ILE 53 4.374 -5.144 9.595 387 HA ILE 53 HA ILE 53 4.963 -8.004 9.035 388 HB ILE 53 HB ILE 53 4.496 -7.521 6.629 389 HG12 ILE 53 HG12 ILE 53 3.402 -4.826 7.579 390 HG13 ILE 53 HG11 ILE 53 4.923 -5.028 6.721 391 HG21 ILE 53 HG21 ILE 53 2.133 -6.907 8.439 392 HG22 ILE 53 HG22 ILE 53 2.710 -8.512 7.987 393 HG23 ILE 53 HG23 ILE 53 2.027 -7.448 6.757 394 HD11 ILE 53 HD11 ILE 53 3.666 -5.910 4.800 395 HD12 ILE 53 HD12 ILE 53 3.205 -4.265 5.238 396 HD13 ILE 53 HD13 ILE 53 2.165 -5.618 5.682 397 H LYS 54 HN LYS 54 6.725 -8.210 7.318 398 HA LYS 54 HA LYS 54 8.626 -5.936 7.379 399 HB2 LYS 54 HB2 LYS 54 10.417 -7.491 6.810 400 HB3 LYS 54 HB1 LYS 54 9.585 -8.065 8.245 401 HG2 LYS 54 HG2 LYS 54 8.474 -9.807 6.985 402 HG3 LYS 54 HG1 LYS 54 9.099 -9.168 5.463 403 HD2 LYS 54 HD2 LYS 54 11.426 -9.659 6.261 404 HD3 LYS 54 HD1 LYS 54 10.740 -10.394 7.713 405 HE2 LYS 54 HE2 LYS 54 9.585 -12.076 6.297 406 HE3 LYS 54 HE1 LYS 54 10.296 -11.340 4.859 407 HZ1 LYS 54 HZ1 LYS 54 11.794 -12.569 7.094 408 HZ2 LYS 54 HZ2 LYS 54 12.482 -11.878 5.713 409 HZ3 LYS 54 HZ3 LYS 54 11.529 -13.268 5.578 410 H LEU 55 HN LEU 55 8.570 -4.700 5.613 411 HA LEU 55 HA LEU 55 7.742 -5.785 3.021 412 HB2 LEU 55 HB2 LEU 55 8.561 -2.969 3.818 413 HB3 LEU 55 HB1 LEU 55 8.079 -3.437 2.195 414 HG LEU 55 HG LEU 55 6.314 -3.378 4.679 415 HD11 LEU 55 HD11 LEU 55 6.115 -1.802 2.092 416 HD12 LEU 55 HD12 LEU 55 6.678 -1.180 3.645 417 HD13 LEU 55 HD13 LEU 55 5.007 -1.704 3.463 418 HD21 LEU 55 HD21 LEU 55 4.450 -4.143 3.257 419 HD22 LEU 55 HD22 LEU 55 5.717 -5.361 3.368 420 HD23 LEU 55 HD23 LEU 55 5.564 -4.380 1.911 421 HA PRO 56 HA PRO 56 12.202 -6.445 2.043 422 HB2 PRO 56 HB2 PRO 56 11.119 -7.921 -0.305 423 HB3 PRO 56 HB1 PRO 56 12.152 -8.509 1.005 424 HG2 PRO 56 HG2 PRO 56 9.575 -9.286 0.798 425 HG3 PRO 56 HG1 PRO 56 10.348 -9.038 2.381 426 HD2 PRO 56 HD2 PRO 56 8.540 -7.150 0.845 427 HD3 PRO 56 HD1 PRO 56 8.456 -7.644 2.554 428 H LEU 57 HN LEU 57 11.457 -3.989 1.629 429 HA LEU 57 HA LEU 57 10.640 -3.126 -0.938 430 HB2 LEU 57 HB2 LEU 57 10.470 -1.893 1.323 431 HB3 LEU 57 HB1 LEU 57 12.156 -1.476 1.140 432 HG LEU 57 HG LEU 57 10.457 0.344 0.561 433 HD11 LEU 57 HD11 LEU 57 11.653 1.238 -1.358 434 HD12 LEU 57 HD12 LEU 57 12.404 -0.333 -1.651 435 HD13 LEU 57 HD13 LEU 57 12.770 0.561 -0.175 436 HD21 LEU 57 HD21 LEU 57 9.968 -1.387 -1.869 437 HD22 LEU 57 HD22 LEU 57 9.381 0.261 -1.640 438 HD23 LEU 57 HD23 LEU 57 8.817 -1.026 -0.579 439 H GLU 58 HN GLU 58 13.819 -3.484 0.578 440 HA GLU 58 HA GLU 58 15.459 -2.394 -1.410 441 HB2 GLU 58 HB2 GLU 58 17.271 -3.829 -0.455 442 HB3 GLU 58 HB1 GLU 58 16.389 -2.930 0.769 443 HG2 GLU 58 HG2 GLU 58 15.213 -4.904 1.487 444 HG3 GLU 58 HG1 GLU 58 15.821 -5.834 0.123 445 H LYS 59 HN LYS 59 14.211 -5.709 -1.023 446 HA LYS 59 HA LYS 59 15.591 -6.927 -3.171 447 HB2 LYS 59 HB2 LYS 59 14.598 -8.285 -1.397 448 HB3 LYS 59 HB1 LYS 59 12.993 -7.671 -1.762 449 HG2 LYS 59 HG2 LYS 59 13.208 -9.934 -2.592 450 HG3 LYS 59 HG1 LYS 59 13.034 -8.823 -3.947 451 HD2 LYS 59 HD2 LYS 59 14.707 -10.529 -4.462 452 HD3 LYS 59 HD1 LYS 59 15.485 -8.947 -4.350 453 HE2 LYS 59 HE2 LYS 59 16.821 -10.702 -3.248 454 HE3 LYS 59 HE1 LYS 59 16.283 -9.493 -2.087 455 HZ1 LYS 59 HZ1 LYS 59 15.062 -12.162 -2.515 456 HZ2 LYS 59 HZ2 LYS 59 14.491 -11.004 -1.427 457 HZ3 LYS 59 HZ3 LYS 59 16.012 -11.707 -1.200 458 H TRP 60 HN TRP 60 12.312 -5.584 -2.871 459 HA TRP 60 HA TRP 60 11.269 -6.042 -5.399 460 HB2 TRP 60 HB2 TRP 60 10.792 -3.631 -3.597 461 HB3 TRP 60 HB1 TRP 60 9.771 -4.092 -4.959 462 HD1 TRP 60 HD1 TRP 60 10.343 -7.350 -3.564 463 HE1 TRP 60 HE1 TRP 60 8.586 -7.987 -1.800 464 HE3 TRP 60 HE3 TRP 60 8.355 -2.721 -2.669 465 HZ2 TRP 60 HZ2 TRP 60 6.614 -6.723 -0.254 466 HZ3 TRP 60 HZ3 TRP 60 6.523 -2.524 -1.036 467 HH2 TRP 60 HH2 TRP 60 5.671 -4.487 0.141 468 H THR 61 HN THR 61 13.196 -3.316 -4.227 469 HA THR 61 HA THR 61 13.247 -1.766 -6.586 470 HB THR 61 HB THR 61 15.256 -1.862 -4.297 471 HG1 THR 61 HG1 THR 61 12.852 -1.286 -4.002 472 HG21 THR 61 HG21 THR 61 16.232 -0.676 -6.220 473 HG22 THR 61 HG22 THR 61 15.825 0.474 -4.944 474 HG23 THR 61 HG23 THR 61 14.785 0.325 -6.363 475 H GLN 62 HN GLN 62 15.467 -4.336 -5.377 476 HA GLN 62 HA GLN 62 17.516 -3.834 -7.325 477 HB2 GLN 62 HB2 GLN 62 17.062 -6.272 -5.542 478 HB3 GLN 62 HB1 GLN 62 18.495 -6.007 -6.530 479 HG2 GLN 62 HG2 GLN 62 17.596 -4.334 -4.173 480 HG3 GLN 62 HG1 GLN 62 18.962 -5.447 -4.218 481 HE21 GLN 62 HE21 GLN 62 20.867 -4.811 -5.357 482 HE22 GLN 62 HE22 GLN 62 21.152 -3.159 -5.766 483 H GLU 63 HN GLU 63 14.838 -6.149 -7.064 484 HA GLU 63 HA GLU 63 15.195 -7.700 -9.350 485 HB2 GLU 63 HB2 GLU 63 12.598 -6.722 -8.074 486 HB3 GLU 63 HB1 GLU 63 12.684 -7.999 -9.291 487 HG2 GLU 63 HG2 GLU 63 13.973 -9.402 -7.773 488 HG3 GLU 63 HG1 GLU 63 14.005 -8.121 -6.562 489 H VAL 64 HN VAL 64 13.443 -4.624 -8.955 490 HA VAL 64 HA VAL 64 12.619 -4.286 -11.614 491 HB VAL 64 HB VAL 64 13.188 -2.191 -9.485 492 HG11 VAL 64 HG11 VAL 64 11.817 -1.805 -12.175 493 HG12 VAL 64 HG12 VAL 64 13.352 -1.088 -11.668 494 HG13 VAL 64 HG13 VAL 64 11.852 -0.619 -10.875 495 HG21 VAL 64 HG21 VAL 64 11.344 -3.755 -8.936 496 HG22 VAL 64 HG22 VAL 64 10.556 -3.374 -10.469 497 HG23 VAL 64 HG23 VAL 64 10.727 -2.128 -9.231 498 H ASN 65 HN ASN 65 15.604 -3.091 -10.003 499 HA ASN 65 HA ASN 65 16.770 -1.789 -12.220 500 HB2 ASN 65 HB2 ASN 65 18.102 -3.088 -9.795 501 HB3 ASN 65 HB1 ASN 65 18.998 -2.183 -11.009 502 HD21 ASN 65 HD21 ASN 65 17.116 -1.970 -8.174 503 HD22 ASN 65 HD22 ASN 65 17.072 -0.251 -8.063 504 H ASP 66 HN ASP 66 16.816 -5.208 -11.250 505 HA ASP 66 HA ASP 66 18.871 -5.948 -13.164 506 HB2 ASP 66 HB2 ASP 66 18.703 -6.809 -10.791 507 HB3 ASP 66 HB1 ASP 66 17.219 -7.639 -11.239 508 H GLY 67 HN GLY 67 15.758 -5.215 -13.655 509 HA2 GLY 67 HA2 GLY 67 14.235 -5.643 -15.306 510 HA3 GLY 67 HA1 GLY 67 15.467 -6.611 -16.094 511 H LYS 68 HN LYS 68 14.563 -7.559 -12.896 512 HA LYS 68 HA LYS 68 13.185 -9.963 -13.753 513 HB2 LYS 68 HB2 LYS 68 13.631 -8.831 -10.958 514 HB3 LYS 68 HB1 LYS 68 12.909 -10.403 -11.296 515 HG2 LYS 68 HG2 LYS 68 15.748 -9.569 -11.993 516 HG3 LYS 68 HG1 LYS 68 15.273 -10.579 -10.623 517 HD2 LYS 68 HD2 LYS 68 14.353 -12.261 -12.263 518 HD3 LYS 68 HD1 LYS 68 14.984 -11.268 -13.578 519 HE2 LYS 68 HE2 LYS 68 17.285 -11.602 -12.703 520 HE3 LYS 68 HE1 LYS 68 16.635 -12.602 -11.401 521 HZ1 LYS 68 HZ1 LYS 68 15.786 -14.126 -13.087 522 HZ2 LYS 68 HZ2 LYS 68 17.464 -13.955 -13.171 523 HZ3 LYS 68 HZ3 LYS 68 16.478 -13.179 -14.304 524 H ALA 69 HN ALA 69 12.362 -6.761 -12.755 525 HA ALA 69 HA ALA 69 9.591 -7.119 -13.515 526 HB1 ALA 69 HB1 ALA 69 9.511 -7.721 -11.100 527 HB2 ALA 69 HB2 ALA 69 8.658 -6.207 -11.410 528 HB3 ALA 69 HB3 ALA 69 10.273 -6.178 -10.693 529 H THR 70 HN THR 70 8.475 -4.931 -13.280 530 HA THR 70 HA THR 70 10.278 -2.626 -13.811 531 HB THR 70 HB THR 70 7.353 -2.918 -14.690 532 HG1 THR 70 HG1 THR 70 9.663 -3.902 -15.774 533 HG21 THR 70 HG21 THR 70 8.123 -0.563 -14.500 534 HG22 THR 70 HG22 THR 70 7.845 -1.024 -16.184 535 HG23 THR 70 HG23 THR 70 9.491 -0.940 -15.555 536 H THR 71 HN THR 71 9.515 -0.541 -12.827 537 HA THR 71 HA THR 71 9.162 -0.739 -10.106 538 HB THR 71 HB THR 71 8.351 1.769 -10.278 539 HG1 THR 71 HG1 THR 71 8.190 1.145 -12.820 540 HG21 THR 71 HG21 THR 71 11.096 1.029 -11.334 541 HG22 THR 71 HG22 THR 71 10.642 1.128 -9.634 542 HG23 THR 71 HG23 THR 71 10.624 2.580 -10.637 543 H GLU 72 HN GLU 72 6.574 -0.206 -12.535 544 HA GLU 72 HA GLU 72 4.419 0.410 -10.985 545 HB2 GLU 72 HB2 GLU 72 4.429 -1.435 -13.411 546 HB3 GLU 72 HB1 GLU 72 2.962 -0.828 -12.674 547 HG2 GLU 72 HG2 GLU 72 3.273 0.574 -14.512 548 HG3 GLU 72 HG1 GLU 72 3.859 1.528 -13.165 549 H GLN 73 HN GLN 73 5.688 -2.834 -11.549 550 HA GLN 73 HA GLN 73 3.585 -4.352 -10.524 551 HB2 GLN 73 HB2 GLN 73 5.580 -5.057 -11.981 552 HB3 GLN 73 HB1 GLN 73 6.501 -5.207 -10.500 553 HG2 GLN 73 HG2 GLN 73 3.948 -6.712 -10.461 554 HG3 GLN 73 HG1 GLN 73 5.060 -7.240 -11.719 555 HE21 GLN 73 HE21 GLN 73 7.090 -8.107 -11.114 556 HE22 GLN 73 HE22 GLN 73 7.354 -8.740 -9.526 557 H TYR 74 HN TYR 74 6.183 -2.753 -8.734 558 HA TYR 74 HA TYR 74 5.086 -3.864 -6.199 559 HB2 TYR 74 HB2 TYR 74 7.891 -2.812 -6.788 560 HB3 TYR 74 HB1 TYR 74 7.324 -3.311 -5.194 561 HD1 TYR 74 HD2 TYR 74 6.323 -5.777 -5.075 562 HD2 TYR 74 HD1 TYR 74 9.041 -4.430 -8.093 563 HE1 TYR 74 HE2 TYR 74 6.976 -8.100 -5.517 564 HE2 TYR 74 HE1 TYR 74 9.692 -6.764 -8.529 565 HH TYR 74 HH TYR 74 9.689 -8.942 -7.298 566 H PHE 75 HN PHE 75 5.421 -0.920 -8.006 567 HA PHE 75 HA PHE 75 5.239 0.757 -5.567 568 HB2 PHE 75 HB2 PHE 75 6.757 1.369 -8.151 569 HB3 PHE 75 HB1 PHE 75 6.580 2.480 -6.797 570 HD1 PHE 75 HD1 PHE 75 7.650 1.893 -4.567 571 HD2 PHE 75 HD2 PHE 75 8.507 -0.320 -8.121 572 HE1 PHE 75 HE1 PHE 75 9.682 0.984 -3.525 573 HE2 PHE 75 HE2 PHE 75 10.537 -1.227 -7.068 574 HZ PHE 75 HZ PHE 75 11.127 -0.576 -4.765 575 H VAL 76 HN VAL 76 3.214 -0.334 -7.686 576 HA VAL 76 HA VAL 76 1.729 2.230 -7.942 577 HB VAL 76 HB VAL 76 1.233 -0.499 -9.226 578 HG11 VAL 76 HG11 VAL 76 -0.967 0.286 -8.438 579 HG12 VAL 76 HG12 VAL 76 -0.872 0.395 -10.199 580 HG13 VAL 76 HG13 VAL 76 -0.696 1.850 -9.215 581 HG21 VAL 76 HG21 VAL 76 2.779 1.007 -10.422 582 HG22 VAL 76 HG22 VAL 76 1.536 2.257 -10.471 583 HG23 VAL 76 HG23 VAL 76 1.295 0.738 -11.342 584 H LEU 77 HN LEU 77 -0.192 2.440 -6.796 585 HA LEU 77 HA LEU 77 -0.009 1.660 -4.159 586 HB2 LEU 77 HB2 LEU 77 -1.940 3.204 -5.805 587 HB3 LEU 77 HB1 LEU 77 -2.620 2.561 -4.329 588 HG LEU 77 HG LEU 77 -1.797 4.886 -4.074 589 HD11 LEU 77 HD11 LEU 77 -0.631 4.565 -1.960 590 HD12 LEU 77 HD12 LEU 77 -0.300 2.878 -2.360 591 HD13 LEU 77 HD13 LEU 77 -1.961 3.426 -2.124 592 HD21 LEU 77 HD21 LEU 77 0.598 5.387 -4.025 593 HD22 LEU 77 HD22 LEU 77 0.116 4.815 -5.618 594 HD23 LEU 77 HD23 LEU 77 0.983 3.736 -4.521 595 H LYS 78 HN LYS 78 -2.085 0.226 -6.651 596 HA LYS 78 HA LYS 78 -3.554 -1.470 -4.863 597 HB2 LYS 78 HB2 LYS 78 -4.343 -2.642 -6.905 598 HB3 LYS 78 HB1 LYS 78 -4.492 -0.895 -7.040 599 HG2 LYS 78 HG2 LYS 78 -2.343 -0.884 -8.353 600 HG3 LYS 78 HG1 LYS 78 -2.387 -2.648 -8.344 601 HD2 LYS 78 HD2 LYS 78 -4.491 -2.624 -9.601 602 HD3 LYS 78 HD1 LYS 78 -4.557 -0.859 -9.512 603 HE2 LYS 78 HE2 LYS 78 -2.457 -0.735 -10.858 604 HE3 LYS 78 HE1 LYS 78 -2.444 -2.499 -10.968 605 HZ1 LYS 78 HZ1 LYS 78 -4.595 -0.736 -12.006 606 HZ2 LYS 78 HZ2 LYS 78 -4.526 -2.420 -12.148 607 HZ3 LYS 78 HZ3 LYS 78 -3.381 -1.459 -12.935 608 H ASN 79 HN ASN 79 -0.579 -1.878 -6.716 609 HA ASN 79 HA ASN 79 -0.304 -4.716 -6.226 610 HB2 ASN 79 HB2 ASN 79 1.735 -2.731 -7.320 611 HB3 ASN 79 HB1 ASN 79 1.886 -4.487 -7.359 612 HD21 ASN 79 HD21 ASN 79 2.019 -2.829 -9.615 613 HD22 ASN 79 HD22 ASN 79 0.693 -3.197 -10.644 614 H LEU 80 HN LEU 80 1.006 -1.747 -4.938 615 HA LEU 80 HA LEU 80 2.869 -2.734 -3.085 616 HB2 LEU 80 HB2 LEU 80 2.773 -0.350 -3.770 617 HB3 LEU 80 HB1 LEU 80 1.187 -0.188 -3.037 618 HG LEU 80 HG LEU 80 2.234 -0.623 -0.781 619 HD11 LEU 80 HD11 LEU 80 4.669 -0.457 -0.513 620 HD12 LEU 80 HD12 LEU 80 4.872 -0.423 -2.265 621 HD13 LEU 80 HD13 LEU 80 4.222 -1.863 -1.477 622 HD21 LEU 80 HD21 LEU 80 3.347 1.778 -2.264 623 HD22 LEU 80 HD22 LEU 80 3.212 1.609 -0.514 624 HD23 LEU 80 HD23 LEU 80 1.756 1.672 -1.502 625 H ALA 81 HN ALA 81 -0.543 -1.729 -2.764 626 HA ALA 81 HA ALA 81 -0.936 -2.508 -0.070 627 HB1 ALA 81 HB1 ALA 81 -2.418 -0.918 -1.227 628 HB2 ALA 81 HB2 ALA 81 -3.336 -2.252 -0.521 629 HB3 ALA 81 HB3 ALA 81 -3.014 -2.216 -2.262 630 H ALA 82 HN ALA 82 -1.118 -4.273 -3.092 631 HA ALA 82 HA ALA 82 -2.390 -6.627 -2.152 632 HB1 ALA 82 HB1 ALA 82 -1.442 -7.716 -4.143 633 HB2 ALA 82 HB2 ALA 82 -0.385 -6.324 -4.419 634 HB3 ALA 82 HB3 ALA 82 -2.138 -6.146 -4.553 635 H ARG 83 HN ARG 83 1.071 -5.851 -2.650 636 HA ARG 83 HA ARG 83 2.323 -8.082 -1.604 637 HB2 ARG 83 HB2 ARG 83 3.142 -5.156 -1.466 638 HB3 ARG 83 HB1 ARG 83 4.214 -6.465 -0.984 639 HG2 ARG 83 HG2 ARG 83 3.052 -6.261 -3.781 640 HG3 ARG 83 HG1 ARG 83 4.552 -5.465 -3.306 641 HD2 ARG 83 HD2 ARG 83 5.218 -7.496 -4.323 642 HD3 ARG 83 HD1 ARG 83 5.406 -7.764 -2.591 643 HE ARG 83 HE ARG 83 2.899 -8.743 -3.178 644 HH11 ARG 83 HH11 ARG 83 6.120 -9.376 -4.433 645 HH12 ARG 83 HH12 ARG 83 5.785 -11.036 -4.780 646 HH21 ARG 83 HH21 ARG 83 2.479 -10.924 -3.641 647 HH22 ARG 83 HH22 ARG 83 3.727 -11.919 -4.322 648 H ILE 84 HN ILE 84 1.308 -5.165 0.094 649 HA ILE 84 HA ILE 84 2.235 -5.755 2.700 650 HB ILE 84 HB ILE 84 -0.028 -3.942 1.736 651 HG12 ILE 84 HG12 ILE 84 2.795 -3.115 2.545 652 HG13 ILE 84 HG11 ILE 84 2.370 -3.508 0.884 653 HG21 ILE 84 HG21 ILE 84 0.141 -2.736 3.875 654 HG22 ILE 84 HG22 ILE 84 1.322 -3.905 4.456 655 HG23 ILE 84 HG23 ILE 84 -0.334 -4.417 4.130 656 HD11 ILE 84 HD11 ILE 84 1.150 -1.299 2.523 657 HD12 ILE 84 HD12 ILE 84 0.775 -1.675 0.839 658 HD13 ILE 84 HD13 ILE 84 2.387 -1.113 1.282 659 H ASP 85 HN ASP 85 -0.963 -6.172 1.149 660 HA ASP 85 HA ASP 85 -2.385 -7.148 3.395 661 HB2 ASP 85 HB2 ASP 85 -3.477 -6.187 1.385 662 HB3 ASP 85 HB1 ASP 85 -2.938 -7.555 0.422 663 H GLU 86 HN GLU 86 -0.659 -8.816 0.794 664 HA GLU 86 HA GLU 86 -1.271 -11.510 1.425 665 HB2 GLU 86 HB2 GLU 86 1.183 -10.315 0.059 666 HB3 GLU 86 HB1 GLU 86 0.836 -12.044 0.117 667 HG2 GLU 86 HG2 GLU 86 -1.160 -11.744 -1.211 668 HG3 GLU 86 HG1 GLU 86 -0.994 -9.989 -1.150 669 H LEU 87 HN LEU 87 1.315 -9.323 2.472 670 HA LEU 87 HA LEU 87 2.644 -11.199 4.170 671 HB2 LEU 87 HB2 LEU 87 2.763 -8.163 4.080 672 HB3 LEU 87 HB1 LEU 87 3.849 -9.173 5.032 673 HG LEU 87 HG LEU 87 3.621 -9.246 1.995 674 HD11 LEU 87 HD11 LEU 87 5.832 -8.171 1.948 675 HD12 LEU 87 HD12 LEU 87 5.784 -7.992 3.704 676 HD13 LEU 87 HD13 LEU 87 4.611 -7.140 2.696 677 HD21 LEU 87 HD21 LEU 87 4.272 -11.419 2.919 678 HD22 LEU 87 HD22 LEU 87 5.585 -10.662 3.825 679 HD23 LEU 87 HD23 LEU 87 5.620 -10.677 2.061 680 H VAL 88 HN VAL 88 -0.016 -8.906 4.682 681 HA VAL 88 HA VAL 88 -0.157 -9.093 7.533 682 HB VAL 88 HB VAL 88 -2.354 -8.420 5.507 683 HG11 VAL 88 HG11 VAL 88 -2.422 -8.077 8.530 684 HG12 VAL 88 HG12 VAL 88 -3.398 -9.204 7.588 685 HG13 VAL 88 HG13 VAL 88 -3.642 -7.469 7.405 686 HG21 VAL 88 HG21 VAL 88 -0.671 -6.608 7.269 687 HG22 VAL 88 HG22 VAL 88 -1.956 -6.071 6.184 688 HG23 VAL 88 HG23 VAL 88 -0.494 -6.805 5.530 689 H ALA 89 HN ALA 89 -1.570 -10.952 4.894 690 HA ALA 89 HA ALA 89 -3.049 -12.819 6.456 691 HB1 ALA 89 HB1 ALA 89 -3.138 -14.173 4.400 692 HB2 ALA 89 HB2 ALA 89 -1.904 -13.150 3.659 693 HB3 ALA 89 HB3 ALA 89 -3.482 -12.475 4.062 694 H ALA 90 HN ALA 90 0.286 -12.754 5.253 695 HA ALA 90 HA ALA 90 1.026 -15.406 5.949 696 HB1 ALA 90 HB1 ALA 90 2.235 -14.085 4.260 697 HB2 ALA 90 HB2 ALA 90 3.332 -14.644 5.524 698 HB3 ALA 90 HB3 ALA 90 2.781 -12.966 5.510 699 H LYS 91 HN LYS 91 1.209 -12.292 7.674 700 HA LYS 91 HA LYS 91 2.581 -13.460 9.989 701 HB2 LYS 91 HB2 LYS 91 2.601 -11.207 10.918 702 HB3 LYS 91 HB1 LYS 91 3.072 -11.117 9.230 703 HG2 LYS 91 HG2 LYS 91 1.670 -9.305 9.296 704 HG3 LYS 91 HG1 LYS 91 0.506 -10.540 8.863 705 HD2 LYS 91 HD2 LYS 91 -0.454 -9.098 10.557 706 HD3 LYS 91 HD1 LYS 91 -0.186 -10.694 11.259 707 HE2 LYS 91 HE2 LYS 91 1.928 -9.837 12.284 708 HE3 LYS 91 HE1 LYS 91 1.558 -8.235 11.644 709 HZ1 LYS 91 HZ1 LYS 91 0.907 -8.465 13.938 710 HZ2 LYS 91 HZ2 LYS 91 -0.103 -9.762 13.559 711 HZ3 LYS 91 HZ3 LYS 91 -0.455 -8.221 12.963 712 H GLY 92 HN GLY 92 -0.577 -12.873 8.794 713 HA2 GLY 92 HA2 GLY 92 -2.065 -12.972 11.249 714 HA3 GLY 92 HA1 GLY 92 -2.699 -13.106 9.613 715 H ALA 93 HN ALA 93 -0.246 -15.349 9.866 716 HA ALA 93 HA ALA 93 -1.735 -17.697 10.081 717 HB1 ALA 93 HB1 ALA 93 1.173 -17.226 10.843 718 HB2 ALA 93 HB2 ALA 93 0.573 -17.611 9.230 719 HB3 ALA 93 HB3 ALA 93 0.433 -18.802 10.523 720 H LEU 94 HN LEU 94 -0.648 -15.488 12.567 721 HA LEU 94 HA LEU 94 -1.209 -17.132 14.858 722 HB2 LEU 94 HB2 LEU 94 -0.799 -14.138 14.488 723 HB3 LEU 94 HB1 LEU 94 -1.199 -14.830 16.049 724 HG LEU 94 HG LEU 94 0.935 -16.172 15.965 725 HD11 LEU 94 HD11 LEU 94 2.701 -15.624 14.382 726 HD12 LEU 94 HD12 LEU 94 1.624 -14.523 13.519 727 HD13 LEU 94 HD13 LEU 94 1.288 -16.256 13.537 728 HD21 LEU 94 HD21 LEU 94 2.432 -14.302 16.514 729 HD22 LEU 94 HD22 LEU 94 0.833 -14.056 17.207 730 HD23 LEU 94 HD23 LEU 94 1.310 -13.163 15.761 731 H GLU 95 HN GLU 95 -2.849 -15.519 16.452 732 HA GLU 95 HA GLU 95 -5.354 -16.650 15.883 733 HB2 GLU 95 HB2 GLU 95 -4.687 -14.390 17.816 734 HB3 GLU 95 HB1 GLU 95 -6.177 -15.330 17.826 735 HG2 GLU 95 HG2 GLU 95 -3.390 -16.425 18.337 736 HG3 GLU 95 HG1 GLU 95 -4.592 -16.054 19.571 737 H HIS 96 HN HIS 96 -6.844 -16.056 14.450 738 HA HIS 96 HA HIS 96 -7.063 -13.433 13.246 739 HB2 HIS 96 HB2 HIS 96 -8.874 -15.890 13.094 740 HB3 HIS 96 HB1 HIS 96 -9.145 -14.413 12.175 741 HD1 HIS 96 HD1 HIS 96 -8.795 -16.976 10.642 742 HD2 HIS 96 HD2 HIS 96 -5.626 -14.480 11.625 743 HE1 HIS 96 HE1 HIS 96 -7.002 -17.478 8.958 744 HE2 HIS 96 HE2 HIS 96 -5.058 -16.028 9.643 745 H HIS 97 HN HIS 97 -9.209 -12.304 13.212 746 HA HIS 97 HA HIS 97 -10.514 -10.813 14.274 747 HB2 HIS 97 HB2 HIS 97 -11.931 -12.883 14.534 748 HB3 HIS 97 HB1 HIS 97 -11.242 -13.127 16.131 749 HD1 HIS 97 HD1 HIS 97 -12.241 -11.799 18.042 750 HD2 HIS 97 HD2 HIS 97 -13.678 -10.584 14.337 751 HE1 HIS 97 HE1 HIS 97 -14.202 -10.306 18.529 752 HE2 HIS 97 HE2 HIS 97 -14.911 -9.433 16.285 753 H HIS 98 HN HIS 98 -8.060 -10.395 14.781 754 HA HIS 98 HA HIS 98 -6.977 -10.548 17.352 755 HB2 HIS 98 HB2 HIS 98 -5.738 -9.980 15.241 756 HB3 HIS 98 HB1 HIS 98 -6.484 -8.386 15.256 757 HD1 HIS 98 HD1 HIS 98 -5.046 -6.628 16.275 758 HD2 HIS 98 HD2 HIS 98 -4.131 -10.403 17.765 759 HE1 HIS 98 HE1 HIS 98 -3.047 -6.304 17.758 760 HE2 HIS 98 HE2 HIS 98 -2.534 -8.584 18.679 761 H HIS 99 HN HIS 99 -7.551 -9.557 19.215 762 HA HIS 99 HA HIS 99 -10.047 -8.362 19.396 763 HB2 HIS 99 HB2 HIS 99 -8.939 -9.698 21.208 764 HB3 HIS 99 HB1 HIS 99 -7.918 -8.305 21.562 765 HD1 HIS 99 HD1 HIS 99 -11.265 -9.731 22.225 766 HD2 HIS 99 HD2 HIS 99 -9.370 -6.062 22.694 767 HE1 HIS 99 HE1 HIS 99 -12.768 -8.382 23.726 768 HE2 HIS 99 HE2 HIS 99 -11.708 -6.107 23.809 769 H HIS 100 HN HIS 100 -10.302 -6.567 18.258 770 HA HIS 100 HA HIS 100 -9.981 -4.027 19.288 771 HB2 HIS 100 HB2 HIS 100 -7.520 -4.402 18.693 772 HB3 HIS 100 HB1 HIS 100 -8.001 -4.522 17.001 773 HD1 HIS 100 HD1 HIS 100 -7.110 -2.398 16.008 774 HD2 HIS 100 HD2 HIS 100 -9.058 -1.721 19.618 775 HE1 HIS 100 HE1 HIS 100 -7.101 0.094 16.330 776 HE2 HIS 100 HE2 HIS 100 -8.106 0.453 18.603 777 H HIS 101 HN HIS 101 -10.272 -6.122 16.492 778 HA HIS 101 HA HIS 101 -11.902 -4.207 14.971 779 HB2 HIS 101 HB2 HIS 101 -10.099 -5.406 13.763 780 HB3 HIS 101 HB1 HIS 101 -10.831 -6.952 14.186 781 HD1 HIS 101 HD1 HIS 101 -11.552 -3.850 12.137 782 HD2 HIS 101 HD2 HIS 101 -12.780 -7.806 12.408 783 HE1 HIS 101 HE1 HIS 101 -13.096 -4.210 10.193 784 HE2 HIS 101 HE2 HIS 101 -13.645 -6.667 10.264 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -15.657 2.657 5.761 2 H2 MET 1 HT2 MET 1 -16.793 1.480 6.182 3 H3 MET 1 HT3 MET 1 -15.809 1.262 4.824 4 HA MET 1 HA MET 1 -14.823 1.462 7.596 5 HB2 MET 1 HB2 MET 1 -14.430 -0.985 7.471 6 HB3 MET 1 HB1 MET 1 -16.137 -0.591 7.337 7 HG2 MET 1 HG2 MET 1 -16.066 -0.965 4.927 8 HG3 MET 1 HG1 MET 1 -14.328 -1.273 5.007 9 HE1 MET 1 HE1 MET 1 -13.241 -3.429 6.128 10 HE2 MET 1 HE2 MET 1 -14.170 -4.666 6.978 11 HE3 MET 1 HE3 MET 1 -14.019 -3.051 7.666 12 H THR 2 HN THR 2 -12.573 0.576 7.740 13 HA THR 2 HA THR 2 -10.886 1.624 5.596 14 HB THR 2 HB THR 2 -10.334 2.235 7.936 15 HG1 THR 2 HG1 THR 2 -8.575 2.247 6.614 16 HG21 THR 2 HG21 THR 2 -11.051 0.186 9.117 17 HG22 THR 2 HG22 THR 2 -9.376 0.579 9.507 18 HG23 THR 2 HG23 THR 2 -9.734 -0.718 8.366 19 H SER 3 HN SER 3 -8.953 0.347 4.969 20 HA SER 3 HA SER 3 -9.082 -2.547 4.912 21 HB2 SER 3 HB2 SER 3 -9.490 -0.934 2.352 22 HB3 SER 3 HB1 SER 3 -9.185 -2.672 2.408 23 HG SER 3 HG SER 3 -11.171 -2.510 3.933 24 H THR 4 HN THR 4 -7.255 -3.280 3.179 25 HA THR 4 HA THR 4 -4.809 -2.420 4.223 26 HB THR 4 HB THR 4 -5.224 -3.879 1.568 27 HG1 THR 4 HG1 THR 4 -5.608 -5.626 2.741 28 HG21 THR 4 HG21 THR 4 -2.967 -4.809 2.002 29 HG22 THR 4 HG22 THR 4 -2.820 -3.806 3.445 30 HG23 THR 4 HG23 THR 4 -2.909 -3.053 1.851 31 H PHE 5 HN PHE 5 -6.050 -1.832 0.874 32 HA PHE 5 HA PHE 5 -4.069 0.011 0.094 33 HB2 PHE 5 HB2 PHE 5 -5.307 -0.870 -1.718 34 HB3 PHE 5 HB1 PHE 5 -6.858 -0.578 -0.939 35 HD1 PHE 5 HD1 PHE 5 -3.904 1.383 -2.250 36 HD2 PHE 5 HD2 PHE 5 -8.147 1.232 -1.734 37 HE1 PHE 5 HE1 PHE 5 -4.134 3.556 -3.368 38 HE2 PHE 5 HE2 PHE 5 -8.351 3.401 -2.866 39 HZ PHE 5 HZ PHE 5 -6.346 4.568 -3.671 40 H ASP 6 HN ASP 6 -7.249 0.526 1.584 41 HA ASP 6 HA ASP 6 -7.467 3.296 1.430 42 HB2 ASP 6 HB2 ASP 6 -9.321 1.871 2.144 43 HB3 ASP 6 HB1 ASP 6 -8.446 1.384 3.591 44 H ARG 7 HN ARG 7 -5.836 1.311 3.861 45 HA ARG 7 HA ARG 7 -5.031 3.497 5.538 46 HB2 ARG 7 HB2 ARG 7 -4.076 0.613 5.444 47 HB3 ARG 7 HB1 ARG 7 -3.533 1.786 6.647 48 HG2 ARG 7 HG2 ARG 7 -5.867 2.030 7.434 49 HG3 ARG 7 HG1 ARG 7 -6.385 0.834 6.244 50 HD2 ARG 7 HD2 ARG 7 -6.183 -0.258 8.380 51 HD3 ARG 7 HD1 ARG 7 -4.872 -0.833 7.344 52 HE ARG 7 HE ARG 7 -3.993 1.377 8.894 53 HH11 ARG 7 HH11 ARG 7 -4.646 -2.069 9.179 54 HH12 ARG 7 HH12 ARG 7 -3.717 -2.232 10.632 55 HH21 ARG 7 HH21 ARG 7 -2.795 1.140 10.797 56 HH22 ARG 7 HH22 ARG 7 -2.656 -0.423 11.541 57 H VAL 8 HN VAL 8 -3.485 1.792 2.784 58 HA VAL 8 HA VAL 8 -0.861 2.881 3.225 59 HB VAL 8 HB VAL 8 -2.044 1.795 0.622 60 HG11 VAL 8 HG11 VAL 8 0.874 2.187 1.416 61 HG12 VAL 8 HG12 VAL 8 -0.010 3.134 0.217 62 HG13 VAL 8 HG13 VAL 8 0.312 1.423 -0.072 63 HG21 VAL 8 HG21 VAL 8 -0.971 -0.347 1.199 64 HG22 VAL 8 HG22 VAL 8 -2.150 0.120 2.423 65 HG23 VAL 8 HG23 VAL 8 -0.428 0.327 2.739 66 H ALA 9 HN ALA 9 -3.698 3.807 1.343 67 HA ALA 9 HA ALA 9 -2.759 6.095 0.037 68 HB1 ALA 9 HB1 ALA 9 -5.143 6.723 -0.182 69 HB2 ALA 9 HB2 ALA 9 -5.582 5.511 1.027 70 HB3 ALA 9 HB3 ALA 9 -4.910 5.007 -0.525 71 H THR 10 HN THR 10 -4.194 5.638 3.261 72 HA THR 10 HA THR 10 -4.154 8.280 4.190 73 HB THR 10 HB THR 10 -3.611 5.834 5.934 74 HG1 THR 10 HG1 THR 10 -5.719 6.277 4.384 75 HG21 THR 10 HG21 THR 10 -3.396 8.014 7.101 76 HG22 THR 10 HG22 THR 10 -4.793 7.107 7.683 77 HG23 THR 10 HG23 THR 10 -5.023 8.456 6.569 78 H ILE 11 HN ILE 11 -1.692 5.711 4.520 79 HA ILE 11 HA ILE 11 0.244 7.031 5.993 80 HB ILE 11 HB ILE 11 0.489 4.804 3.929 81 HG12 ILE 11 HG12 ILE 11 0.552 4.666 6.973 82 HG13 ILE 11 HG11 ILE 11 -0.883 4.373 6.011 83 HG21 ILE 11 HG21 ILE 11 2.715 4.259 4.883 84 HG22 ILE 11 HG22 ILE 11 2.647 5.734 5.851 85 HG23 ILE 11 HG23 ILE 11 2.695 5.837 4.091 86 HD11 ILE 11 HD11 ILE 11 1.638 2.728 5.953 87 HD12 ILE 11 HD12 ILE 11 0.182 2.423 5.001 88 HD13 ILE 11 HD13 ILE 11 0.129 2.310 6.761 89 H ILE 12 HN ILE 12 0.047 6.703 2.431 90 HA ILE 12 HA ILE 12 2.305 8.224 1.762 91 HB ILE 12 HB ILE 12 -0.234 7.616 0.187 92 HG12 ILE 12 HG12 ILE 12 2.564 6.406 0.169 93 HG13 ILE 12 HG11 ILE 12 1.081 5.630 0.705 94 HG21 ILE 12 HG21 ILE 12 2.293 8.901 -0.911 95 HG22 ILE 12 HG22 ILE 12 0.708 9.668 -0.775 96 HG23 ILE 12 HG23 ILE 12 0.939 8.311 -1.876 97 HD11 ILE 12 HD11 ILE 12 1.804 6.369 -2.129 98 HD12 ILE 12 HD12 ILE 12 0.273 5.646 -1.623 99 HD13 ILE 12 HD13 ILE 12 1.781 4.755 -1.417 100 H ALA 13 HN ALA 13 -1.136 9.154 1.926 101 HA ALA 13 HA ALA 13 -1.043 11.816 1.372 102 HB1 ALA 13 HB1 ALA 13 -2.791 10.514 3.481 103 HB2 ALA 13 HB2 ALA 13 -3.117 10.536 1.748 104 HB3 ALA 13 HB3 ALA 13 -3.111 12.046 2.659 105 H GLU 14 HN GLU 14 -0.520 10.369 4.587 106 HA GLU 14 HA GLU 14 -0.042 12.773 5.999 107 HB2 GLU 14 HB2 GLU 14 0.804 9.922 6.652 108 HB3 GLU 14 HB1 GLU 14 0.845 11.271 7.790 109 HG2 GLU 14 HG2 GLU 14 -1.600 11.487 7.620 110 HG3 GLU 14 HG1 GLU 14 -1.648 10.152 6.471 111 H THR 15 HN THR 15 2.101 10.570 4.240 112 HA THR 15 HA THR 15 4.564 11.446 5.383 113 HB THR 15 HB THR 15 4.087 9.990 2.738 114 HG1 THR 15 HG1 THR 15 3.678 8.349 3.992 115 HG21 THR 15 HG21 THR 15 6.418 9.198 2.966 116 HG22 THR 15 HG22 THR 15 6.628 10.208 4.394 117 HG23 THR 15 HG23 THR 15 6.356 10.959 2.821 118 H CYS 16 HN CYS 16 3.003 12.084 2.189 119 HA CYS 16 HA CYS 16 5.015 14.051 1.479 120 HB2 CYS 16 HB2 CYS 16 2.686 12.840 -0.057 121 HB3 CYS 16 HB1 CYS 16 3.923 13.877 -0.755 122 HG CYS 16 HG CYS 16 5.494 11.953 -1.384 123 H ASP 17 HN ASP 17 2.560 14.442 3.456 124 HA ASP 17 HA ASP 17 0.621 15.618 3.739 125 HB2 ASP 17 HB2 ASP 17 2.648 17.768 3.053 126 HB3 ASP 17 HB1 ASP 17 1.085 18.109 3.786 127 H ILE 18 HN ILE 18 -0.533 14.732 2.021 128 HA ILE 18 HA ILE 18 -1.399 16.604 -0.055 129 HB ILE 18 HB ILE 18 -1.465 14.645 -1.740 130 HG12 ILE 18 HG12 ILE 18 0.587 13.430 0.177 131 HG13 ILE 18 HG11 ILE 18 -1.031 12.812 -0.092 132 HG21 ILE 18 HG21 ILE 18 1.289 15.686 -0.985 133 HG22 ILE 18 HG22 ILE 18 0.117 16.514 -2.014 134 HG23 ILE 18 HG23 ILE 18 0.830 14.990 -2.542 135 HD11 ILE 18 HD11 ILE 18 1.213 12.880 -2.088 136 HD12 ILE 18 HD12 ILE 18 -0.427 12.326 -2.432 137 HD13 ILE 18 HD13 ILE 18 0.569 11.465 -1.257 138 HA PRO 19 HA PRO 19 -5.363 15.245 1.525 139 HB2 PRO 19 HB2 PRO 19 -6.942 15.466 -0.789 140 HB3 PRO 19 HB1 PRO 19 -6.540 16.790 0.300 141 HG2 PRO 19 HG2 PRO 19 -5.253 16.019 -2.295 142 HG3 PRO 19 HG1 PRO 19 -5.626 17.639 -1.672 143 HD2 PRO 19 HD2 PRO 19 -3.120 16.650 -1.594 144 HD3 PRO 19 HD1 PRO 19 -3.737 17.673 -0.279 145 H ARG 20 HN ARG 20 -6.040 13.288 1.971 146 HA ARG 20 HA ARG 20 -5.403 10.835 1.219 147 HB2 ARG 20 HB2 ARG 20 -6.918 11.405 3.069 148 HB3 ARG 20 HB1 ARG 20 -8.196 11.809 1.937 149 HG2 ARG 20 HG2 ARG 20 -8.752 9.707 2.883 150 HG3 ARG 20 HG1 ARG 20 -8.234 9.382 1.230 151 HD2 ARG 20 HD2 ARG 20 -6.241 8.346 1.930 152 HD3 ARG 20 HD1 ARG 20 -6.253 9.145 3.506 153 HE ARG 20 HE ARG 20 -7.650 6.713 2.758 154 HH11 ARG 20 HH11 ARG 20 -7.318 9.259 5.178 155 HH12 ARG 20 HH12 ARG 20 -8.310 8.437 6.337 156 HH21 ARG 20 HH21 ARG 20 -8.971 5.669 4.316 157 HH22 ARG 20 HH22 ARG 20 -9.247 6.432 5.846 158 H GLU 21 HN GLU 21 -7.796 12.764 -0.553 159 HA GLU 21 HA GLU 21 -9.047 10.604 -1.939 160 HB2 GLU 21 HB2 GLU 21 -10.303 12.379 -3.116 161 HB3 GLU 21 HB1 GLU 21 -10.248 12.674 -1.380 162 HG2 GLU 21 HG2 GLU 21 -8.363 14.305 -1.792 163 HG3 GLU 21 HG1 GLU 21 -8.636 14.107 -3.520 164 H THR 22 HN THR 22 -6.257 12.639 -2.620 165 HA THR 22 HA THR 22 -6.378 12.323 -5.498 166 HB THR 22 HB THR 22 -4.221 13.586 -5.528 167 HG1 THR 22 HG1 THR 22 -4.202 12.904 -2.882 168 HG21 THR 22 HG21 THR 22 -6.333 14.857 -5.521 169 HG22 THR 22 HG22 THR 22 -5.074 15.715 -4.632 170 HG23 THR 22 HG23 THR 22 -6.338 14.855 -3.753 171 H ILE 23 HN ILE 23 -5.379 10.237 -3.012 172 HA ILE 23 HA ILE 23 -3.357 8.907 -4.696 173 HB ILE 23 HB ILE 23 -4.237 8.205 -1.840 174 HG12 ILE 23 HG12 ILE 23 -1.794 8.960 -1.280 175 HG13 ILE 23 HG11 ILE 23 -1.812 9.774 -2.835 176 HG21 ILE 23 HG21 ILE 23 -1.969 7.062 -3.522 177 HG22 ILE 23 HG22 ILE 23 -3.461 6.232 -3.070 178 HG23 ILE 23 HG23 ILE 23 -2.289 6.671 -1.829 179 HD11 ILE 23 HD11 ILE 23 -3.668 10.334 -0.524 180 HD12 ILE 23 HD12 ILE 23 -3.659 11.180 -2.074 181 HD13 ILE 23 HD13 ILE 23 -2.266 11.290 -1.002 182 H THR 24 HN THR 24 -4.538 7.954 -6.297 183 HA THR 24 HA THR 24 -7.039 6.524 -5.787 184 HB THR 24 HB THR 24 -7.142 6.293 -8.261 185 HG1 THR 24 HG1 THR 24 -4.498 6.743 -8.109 186 HG21 THR 24 HG21 THR 24 -7.991 8.396 -7.256 187 HG22 THR 24 HG22 THR 24 -7.323 8.676 -8.864 188 HG23 THR 24 HG23 THR 24 -6.392 9.126 -7.433 189 HA PRO 25 HA PRO 25 -5.345 2.325 -5.694 190 HB2 PRO 25 HB2 PRO 25 -7.217 1.578 -7.934 191 HB3 PRO 25 HB1 PRO 25 -7.004 0.827 -6.344 192 HG2 PRO 25 HG2 PRO 25 -9.132 2.356 -6.809 193 HG3 PRO 25 HG1 PRO 25 -8.281 2.471 -5.254 194 HD2 PRO 25 HD2 PRO 25 -8.138 4.329 -7.632 195 HD3 PRO 25 HD1 PRO 25 -8.233 4.716 -5.896 196 H GLU 26 HN GLU 26 -5.531 3.982 -8.780 197 HA GLU 26 HA GLU 26 -3.654 2.156 -10.110 198 HB2 GLU 26 HB2 GLU 26 -4.299 3.356 -12.175 199 HB3 GLU 26 HB1 GLU 26 -5.711 2.716 -11.337 200 HG2 GLU 26 HG2 GLU 26 -6.245 4.935 -10.469 201 HG3 GLU 26 HG1 GLU 26 -4.790 5.608 -11.201 202 H SER 27 HN SER 27 -3.303 4.639 -8.068 203 HA SER 27 HA SER 27 -1.585 6.456 -9.446 204 HB2 SER 27 HB2 SER 27 -2.037 5.921 -6.486 205 HB3 SER 27 HB1 SER 27 -0.869 7.111 -7.056 206 HG SER 27 HG SER 27 -2.577 8.186 -8.110 207 H HIS 28 HN HIS 28 0.383 5.954 -10.200 208 HA HIS 28 HA HIS 28 2.112 3.980 -8.931 209 HB2 HIS 28 HB2 HIS 28 2.069 4.425 -11.452 210 HB3 HIS 28 HB1 HIS 28 2.829 5.981 -11.120 211 HD2 HIS 28 HD2 HIS 28 3.754 2.331 -11.644 212 HE1 HIS 28 HE1 HIS 28 7.201 4.256 -10.154 213 HE2 HIS 28 HE2 HIS 28 6.328 2.255 -11.418 214 H ALA 29 HN ALA 29 3.298 4.560 -7.151 215 HA ALA 29 HA ALA 29 3.502 6.803 -5.747 216 HB1 ALA 29 HB1 ALA 29 5.617 5.958 -4.812 217 HB2 ALA 29 HB2 ALA 29 5.812 4.876 -6.198 218 HB3 ALA 29 HB3 ALA 29 4.472 4.637 -5.073 219 H ILE 30 HN ILE 30 5.596 6.148 -8.593 220 HA ILE 30 HA ILE 30 7.234 8.526 -7.977 221 HB ILE 30 HB ILE 30 7.682 6.361 -10.086 222 HG12 ILE 30 HG12 ILE 30 9.021 6.629 -7.352 223 HG13 ILE 30 HG11 ILE 30 7.777 5.447 -7.751 224 HG21 ILE 30 HG21 ILE 30 8.803 8.468 -10.674 225 HG22 ILE 30 HG22 ILE 30 9.990 7.239 -10.235 226 HG23 ILE 30 HG23 ILE 30 9.583 8.517 -9.089 227 HD11 ILE 30 HD11 ILE 30 9.987 4.449 -7.765 228 HD12 ILE 30 HD12 ILE 30 10.532 5.598 -8.987 229 HD13 ILE 30 HD13 ILE 30 9.284 4.412 -9.382 230 H ASP 31 HN ASP 31 5.431 7.001 -10.636 231 HA ASP 31 HA ASP 31 5.835 9.100 -12.543 232 HB2 ASP 31 HB2 ASP 31 5.645 6.900 -13.420 233 HB3 ASP 31 HB1 ASP 31 4.194 6.547 -12.492 234 H ASP 32 HN ASP 32 3.170 8.266 -10.367 235 HA ASP 32 HA ASP 32 1.361 10.229 -11.611 236 HB2 ASP 32 HB2 ASP 32 0.497 7.917 -11.275 237 HB3 ASP 32 HB1 ASP 32 0.779 8.051 -9.553 238 H LEU 33 HN LEU 33 2.158 9.171 -8.248 239 HA LEU 33 HA LEU 33 1.176 11.577 -7.068 240 HB2 LEU 33 HB2 LEU 33 2.802 9.303 -5.874 241 HB3 LEU 33 HB1 LEU 33 1.972 10.545 -4.946 242 HG LEU 33 HG LEU 33 0.574 8.512 -6.742 243 HD11 LEU 33 HD11 LEU 33 1.603 7.385 -4.841 244 HD12 LEU 33 HD12 LEU 33 -0.152 7.394 -4.688 245 HD13 LEU 33 HD13 LEU 33 0.822 8.506 -3.721 246 HD21 LEU 33 HD21 LEU 33 -1.503 9.269 -5.639 247 HD22 LEU 33 HD22 LEU 33 -0.723 10.572 -6.525 248 HD23 LEU 33 HD23 LEU 33 -0.594 10.506 -4.764 249 H GLY 34 HN GLY 34 4.235 10.739 -8.405 250 HA2 GLY 34 HA2 GLY 34 6.207 11.905 -8.630 251 HA3 GLY 34 HA1 GLY 34 5.390 13.296 -7.938 252 H ILE 35 HN ILE 35 5.837 10.203 -6.375 253 HA ILE 35 HA ILE 35 7.106 11.357 -4.033 254 HB ILE 35 HB ILE 35 6.306 8.497 -4.744 255 HG12 ILE 35 HG12 ILE 35 4.962 10.427 -2.806 256 HG13 ILE 35 HG11 ILE 35 4.418 10.143 -4.456 257 HG21 ILE 35 HG21 ILE 35 6.635 7.905 -2.370 258 HG22 ILE 35 HG22 ILE 35 7.263 9.520 -2.047 259 HG23 ILE 35 HG23 ILE 35 8.148 8.429 -3.114 260 HD11 ILE 35 HD11 ILE 35 4.498 8.115 -2.235 261 HD12 ILE 35 HD12 ILE 35 4.000 7.786 -3.894 262 HD13 ILE 35 HD13 ILE 35 3.074 8.907 -2.898 263 H ASP 36 HN ASP 36 9.237 11.011 -3.431 264 HA ASP 36 HA ASP 36 11.088 10.028 -5.495 265 HB2 ASP 36 HB2 ASP 36 11.403 12.310 -4.376 266 HB3 ASP 36 HB1 ASP 36 11.771 11.456 -2.882 267 H SER 37 HN SER 37 12.914 8.677 -4.743 268 HA SER 37 HA SER 37 12.164 6.259 -3.627 269 HB2 SER 37 HB2 SER 37 14.972 7.443 -3.763 270 HB3 SER 37 HB1 SER 37 14.560 5.725 -3.637 271 HG SER 37 HG SER 37 13.559 5.886 -5.664 272 H LEU 38 HN LEU 38 13.570 9.114 -2.049 273 HA LEU 38 HA LEU 38 14.216 7.834 0.428 274 HB2 LEU 38 HB2 LEU 38 14.707 10.075 1.281 275 HB3 LEU 38 HB1 LEU 38 15.408 9.835 -0.300 276 HG LEU 38 HG LEU 38 13.137 11.136 -1.057 277 HD11 LEU 38 HD11 LEU 38 13.692 12.290 1.691 278 HD12 LEU 38 HD12 LEU 38 12.242 11.414 1.192 279 HD13 LEU 38 HD13 LEU 38 12.612 12.977 0.472 280 HD21 LEU 38 HD21 LEU 38 15.659 12.537 -0.101 281 HD22 LEU 38 HD22 LEU 38 14.454 13.213 -1.202 282 HD23 LEU 38 HD23 LEU 38 15.405 11.812 -1.693 283 H ASP 39 HN ASP 39 11.440 9.691 -0.756 284 HA ASP 39 HA ASP 39 9.985 9.822 1.699 285 HB2 ASP 39 HB2 ASP 39 8.931 9.987 -1.161 286 HB3 ASP 39 HB1 ASP 39 8.029 10.441 0.283 287 H PHE 40 HN PHE 40 10.160 7.515 -0.945 288 HA PHE 40 HA PHE 40 7.859 5.977 -0.299 289 HB2 PHE 40 HB2 PHE 40 9.118 6.006 -2.531 290 HB3 PHE 40 HB1 PHE 40 10.327 4.971 -1.783 291 HD1 PHE 40 HD1 PHE 40 6.646 5.162 -2.461 292 HD2 PHE 40 HD2 PHE 40 10.024 2.603 -1.860 293 HE1 PHE 40 HE1 PHE 40 5.267 3.207 -3.015 294 HE2 PHE 40 HE2 PHE 40 8.633 0.652 -2.433 295 HZ PHE 40 HZ PHE 40 6.254 0.951 -3.008 296 H LEU 41 HN LEU 41 11.259 5.825 0.728 297 HA LEU 41 HA LEU 41 11.210 3.455 2.255 298 HB2 LEU 41 HB2 LEU 41 12.773 6.012 2.785 299 HB3 LEU 41 HB1 LEU 41 13.071 4.479 3.595 300 HG LEU 41 HG LEU 41 13.517 5.111 0.652 301 HD11 LEU 41 HD11 LEU 41 15.881 4.695 1.150 302 HD12 LEU 41 HD12 LEU 41 15.494 4.409 2.849 303 HD13 LEU 41 HD13 LEU 41 15.241 6.007 2.140 304 HD21 LEU 41 HD21 LEU 41 14.373 2.804 0.416 305 HD22 LEU 41 HD22 LEU 41 12.659 2.832 0.817 306 HD23 LEU 41 HD23 LEU 41 13.847 2.438 2.063 307 H ASP 42 HN ASP 42 10.310 6.793 3.139 308 HA ASP 42 HA ASP 42 9.735 6.320 5.902 309 HB2 ASP 42 HB2 ASP 42 8.723 8.526 4.050 310 HB3 ASP 42 HB1 ASP 42 8.475 8.511 5.794 311 H ILE 43 HN ILE 43 7.720 6.425 2.992 312 HA ILE 43 HA ILE 43 5.190 5.902 4.069 313 HB ILE 43 HB ILE 43 6.384 5.070 1.384 314 HG12 ILE 43 HG12 ILE 43 4.482 7.365 2.029 315 HG13 ILE 43 HG11 ILE 43 6.227 7.544 1.878 316 HG21 ILE 43 HG21 ILE 43 4.473 3.594 1.838 317 HG22 ILE 43 HG22 ILE 43 4.086 4.720 0.539 318 HG23 ILE 43 HG23 ILE 43 3.441 4.989 2.160 319 HD11 ILE 43 HD11 ILE 43 4.346 6.678 -0.307 320 HD12 ILE 43 HD12 ILE 43 6.095 6.867 -0.463 321 HD13 ILE 43 HD13 ILE 43 5.080 8.268 -0.120 322 H ALA 44 HN ALA 44 7.787 3.688 3.076 323 HA ALA 44 HA ALA 44 6.280 1.276 3.306 324 HB1 ALA 44 HB1 ALA 44 9.283 1.731 3.113 325 HB2 ALA 44 HB2 ALA 44 8.181 1.542 1.748 326 HB3 ALA 44 HB3 ALA 44 8.444 0.195 2.853 327 H PHE 45 HN PHE 45 8.659 2.947 5.340 328 HA PHE 45 HA PHE 45 8.885 1.147 7.472 329 HB2 PHE 45 HB2 PHE 45 10.401 3.064 7.159 330 HB3 PHE 45 HB1 PHE 45 9.085 4.191 7.467 331 HD1 PHE 45 HD1 PHE 45 10.801 1.286 9.127 332 HD2 PHE 45 HD2 PHE 45 8.958 5.107 9.637 333 HE1 PHE 45 HE1 PHE 45 11.386 1.257 11.512 334 HE2 PHE 45 HE2 PHE 45 9.549 5.068 12.027 335 HZ PHE 45 HZ PHE 45 10.763 3.143 12.963 336 H ALA 46 HN ALA 46 6.591 3.784 6.892 337 HA ALA 46 HA ALA 46 5.152 3.548 9.351 338 HB1 ALA 46 HB1 ALA 46 5.165 5.632 8.033 339 HB2 ALA 46 HB2 ALA 46 3.517 5.058 8.302 340 HB3 ALA 46 HB3 ALA 46 4.289 4.818 6.733 341 H ILE 47 HN ILE 47 4.863 2.026 6.189 342 HA ILE 47 HA ILE 47 2.369 0.708 6.543 343 HB ILE 47 HB ILE 47 4.779 0.046 4.800 344 HG12 ILE 47 HG12 ILE 47 2.013 1.052 3.988 345 HG13 ILE 47 HG11 ILE 47 3.393 2.104 4.252 346 HG21 ILE 47 HG21 ILE 47 2.106 -1.401 4.780 347 HG22 ILE 47 HG22 ILE 47 3.659 -2.085 5.266 348 HG23 ILE 47 HG23 ILE 47 3.392 -1.610 3.590 349 HD11 ILE 47 HD11 ILE 47 3.216 -0.046 2.149 350 HD12 ILE 47 HD12 ILE 47 4.569 1.058 2.395 351 HD13 ILE 47 HD13 ILE 47 2.999 1.683 1.889 352 H ASP 48 HN ASP 48 5.732 -0.257 7.264 353 HA ASP 48 HA ASP 48 5.286 -2.864 8.191 354 HB2 ASP 48 HB2 ASP 48 7.363 -0.909 9.247 355 HB3 ASP 48 HB1 ASP 48 7.405 -2.658 9.437 356 H LYS 49 HN LYS 49 5.138 0.236 9.865 357 HA LYS 49 HA LYS 49 4.748 -0.767 12.508 358 HB2 LYS 49 HB2 LYS 49 4.112 1.966 11.307 359 HB3 LYS 49 HB1 LYS 49 4.091 1.607 13.034 360 HG2 LYS 49 HG2 LYS 49 6.501 1.123 12.974 361 HG3 LYS 49 HG1 LYS 49 6.531 1.410 11.235 362 HD2 LYS 49 HD2 LYS 49 7.404 3.365 12.401 363 HD3 LYS 49 HD1 LYS 49 5.874 3.779 11.625 364 HE2 LYS 49 HE2 LYS 49 5.972 4.753 13.868 365 HE3 LYS 49 HE1 LYS 49 4.718 3.516 13.814 366 HZ1 LYS 49 HZ1 LYS 49 7.454 3.166 14.922 367 HZ2 LYS 49 HZ2 LYS 49 6.256 1.976 14.867 368 HZ3 LYS 49 HZ3 LYS 49 6.032 3.350 15.821 369 H ALA 50 HN ALA 50 2.497 0.693 10.141 370 HA ALA 50 HA ALA 50 0.124 0.550 11.595 371 HB1 ALA 50 HB1 ALA 50 -1.014 0.897 9.431 372 HB2 ALA 50 HB2 ALA 50 0.481 0.479 8.580 373 HB3 ALA 50 HB3 ALA 50 0.409 1.927 9.585 374 H PHE 51 HN PHE 51 1.310 -1.689 9.106 375 HA PHE 51 HA PHE 51 -0.909 -3.536 9.533 376 HB2 PHE 51 HB2 PHE 51 1.364 -3.562 7.503 377 HB3 PHE 51 HB1 PHE 51 0.033 -4.714 7.540 378 HD1 PHE 51 HD1 PHE 51 -2.273 -4.003 6.955 379 HD2 PHE 51 HD2 PHE 51 1.013 -1.287 6.661 380 HE1 PHE 51 HE1 PHE 51 -3.628 -2.494 5.568 381 HE2 PHE 51 HE2 PHE 51 -0.352 0.209 5.266 382 HZ PHE 51 HZ PHE 51 -2.672 -0.397 4.721 383 H GLY 52 HN GLY 52 2.173 -3.117 10.841 384 HA2 GLY 52 HA2 GLY 52 3.338 -4.353 12.379 385 HA3 GLY 52 HA1 GLY 52 2.016 -5.507 12.398 386 H ILE 53 HN ILE 53 3.946 -4.611 9.580 387 HA ILE 53 HA ILE 53 4.819 -7.435 9.311 388 HB ILE 53 HB ILE 53 4.643 -7.157 6.839 389 HG12 ILE 53 HG12 ILE 53 3.074 -4.596 7.406 390 HG13 ILE 53 HG11 ILE 53 4.735 -4.600 6.831 391 HG21 ILE 53 HG21 ILE 53 2.193 -7.409 6.691 392 HG22 ILE 53 HG22 ILE 53 2.031 -6.773 8.330 393 HG23 ILE 53 HG23 ILE 53 2.865 -8.305 8.058 394 HD11 ILE 53 HD11 ILE 53 2.343 -5.719 5.392 395 HD12 ILE 53 HD12 ILE 53 4.006 -5.740 4.796 396 HD13 ILE 53 HD13 ILE 53 3.172 -4.203 5.035 397 H LYS 54 HN LYS 54 6.480 -7.566 7.468 398 HA LYS 54 HA LYS 54 8.501 -5.414 7.532 399 HB2 LYS 54 HB2 LYS 54 9.405 -7.248 8.840 400 HB3 LYS 54 HB1 LYS 54 8.856 -8.452 7.677 401 HG2 LYS 54 HG2 LYS 54 10.522 -7.510 6.029 402 HG3 LYS 54 HG1 LYS 54 11.119 -6.449 7.310 403 HD2 LYS 54 HD2 LYS 54 11.834 -8.353 8.639 404 HD3 LYS 54 HD1 LYS 54 11.056 -9.487 7.535 405 HE2 LYS 54 HE2 LYS 54 13.465 -9.503 7.181 406 HE3 LYS 54 HE1 LYS 54 12.672 -8.824 5.759 407 HZ1 LYS 54 HZ1 LYS 54 13.903 -7.211 7.919 408 HZ2 LYS 54 HZ2 LYS 54 13.301 -6.639 6.446 409 HZ3 LYS 54 HZ3 LYS 54 14.676 -7.621 6.476 410 H LEU 55 HN LEU 55 8.074 -4.493 5.540 411 HA LEU 55 HA LEU 55 7.550 -5.990 3.151 412 HB2 LEU 55 HB2 LEU 55 8.641 -3.157 3.432 413 HB3 LEU 55 HB1 LEU 55 8.056 -3.879 1.941 414 HG LEU 55 HG LEU 55 6.351 -3.202 4.381 415 HD11 LEU 55 HD11 LEU 55 6.496 -1.865 1.653 416 HD12 LEU 55 HD12 LEU 55 7.078 -1.197 3.179 417 HD13 LEU 55 HD13 LEU 55 5.356 -1.464 2.941 418 HD21 LEU 55 HD21 LEU 55 4.411 -3.781 2.986 419 HD22 LEU 55 HD22 LEU 55 5.465 -5.170 3.217 420 HD23 LEU 55 HD23 LEU 55 5.483 -4.301 1.683 421 HA PRO 56 HA PRO 56 12.031 -6.752 2.267 422 HB2 PRO 56 HB2 PRO 56 10.999 -8.267 -0.068 423 HB3 PRO 56 HB1 PRO 56 11.986 -8.840 1.284 424 HG2 PRO 56 HG2 PRO 56 9.405 -9.589 1.011 425 HG3 PRO 56 HG1 PRO 56 10.137 -9.334 2.610 426 HD2 PRO 56 HD2 PRO 56 8.398 -7.439 1.008 427 HD3 PRO 56 HD1 PRO 56 8.263 -7.913 2.720 428 H LEU 57 HN LEU 57 11.388 -4.352 1.898 429 HA LEU 57 HA LEU 57 10.446 -3.400 -0.595 430 HB2 LEU 57 HB2 LEU 57 10.448 -2.357 1.838 431 HB3 LEU 57 HB1 LEU 57 12.035 -1.763 1.424 432 HG LEU 57 HG LEU 57 10.287 -0.042 1.203 433 HD11 LEU 57 HD11 LEU 57 10.829 0.848 -0.988 434 HD12 LEU 57 HD12 LEU 57 11.475 -0.719 -1.481 435 HD13 LEU 57 HD13 LEU 57 12.260 0.191 -0.191 436 HD21 LEU 57 HD21 LEU 57 9.095 -1.756 -0.983 437 HD22 LEU 57 HD22 LEU 57 8.561 -0.142 -0.501 438 HD23 LEU 57 HD23 LEU 57 8.405 -1.491 0.621 439 H GLU 58 HN GLU 58 13.653 -3.721 0.878 440 HA GLU 58 HA GLU 58 15.263 -2.600 -1.121 441 HB2 GLU 58 HB2 GLU 58 17.117 -3.889 -0.118 442 HB3 GLU 58 HB1 GLU 58 16.100 -3.177 1.132 443 HG2 GLU 58 HG2 GLU 58 14.967 -5.396 1.405 444 HG3 GLU 58 HG1 GLU 58 16.101 -6.082 0.249 445 H LYS 59 HN LYS 59 14.013 -5.889 -0.746 446 HA LYS 59 HA LYS 59 15.372 -7.185 -2.848 447 HB2 LYS 59 HB2 LYS 59 14.319 -8.483 -1.097 448 HB3 LYS 59 HB1 LYS 59 12.757 -7.744 -1.388 449 HG2 LYS 59 HG2 LYS 59 12.715 -10.017 -2.179 450 HG3 LYS 59 HG1 LYS 59 12.605 -8.924 -3.565 451 HD2 LYS 59 HD2 LYS 59 14.991 -9.298 -4.072 452 HD3 LYS 59 HD1 LYS 59 15.154 -10.323 -2.639 453 HE2 LYS 59 HE2 LYS 59 13.553 -11.934 -3.619 454 HE3 LYS 59 HE1 LYS 59 13.398 -10.906 -5.050 455 HZ1 LYS 59 HZ1 LYS 59 15.730 -11.254 -5.510 456 HZ2 LYS 59 HZ2 LYS 59 14.929 -12.735 -5.394 457 HZ3 LYS 59 HZ3 LYS 59 15.904 -12.202 -4.120 458 H TRP 60 HN TRP 60 12.184 -5.676 -2.647 459 HA TRP 60 HA TRP 60 11.223 -6.158 -5.238 460 HB2 TRP 60 HB2 TRP 60 10.611 -3.884 -3.298 461 HB3 TRP 60 HB1 TRP 60 9.666 -4.234 -4.743 462 HD1 TRP 60 HD1 TRP 60 10.216 -7.586 -3.716 463 HE1 TRP 60 HE1 TRP 60 8.395 -8.453 -2.133 464 HE3 TRP 60 HE3 TRP 60 8.164 -3.122 -2.291 465 HZ2 TRP 60 HZ2 TRP 60 6.360 -7.422 -0.517 466 HZ3 TRP 60 HZ3 TRP 60 6.269 -3.156 -0.719 467 HH2 TRP 60 HH2 TRP 60 5.387 -5.267 0.148 468 H THR 61 HN THR 61 12.995 -3.424 -3.881 469 HA THR 61 HA THR 61 13.100 -1.799 -6.193 470 HB THR 61 HB THR 61 14.927 -1.849 -3.752 471 HG1 THR 61 HG1 THR 61 12.596 -1.435 -3.449 472 HG21 THR 61 HG21 THR 61 15.484 0.485 -4.305 473 HG22 THR 61 HG22 THR 61 14.523 0.378 -5.780 474 HG23 THR 61 HG23 THR 61 15.982 -0.599 -5.607 475 H GLN 62 HN GLN 62 15.225 -4.393 -4.978 476 HA GLN 62 HA GLN 62 17.400 -3.954 -6.786 477 HB2 GLN 62 HB2 GLN 62 16.593 -6.321 -5.058 478 HB3 GLN 62 HB1 GLN 62 17.990 -6.400 -6.131 479 HG2 GLN 62 HG2 GLN 62 19.074 -4.575 -4.928 480 HG3 GLN 62 HG1 GLN 62 17.655 -4.363 -3.906 481 HE21 GLN 62 HE21 GLN 62 17.242 -5.891 -2.270 482 HE22 GLN 62 HE22 GLN 62 18.437 -7.015 -1.736 483 H GLU 63 HN GLU 63 14.507 -6.005 -6.863 484 HA GLU 63 HA GLU 63 15.027 -7.403 -9.261 485 HB2 GLU 63 HB2 GLU 63 12.393 -6.646 -7.933 486 HB3 GLU 63 HB1 GLU 63 12.518 -7.754 -9.297 487 HG2 GLU 63 HG2 GLU 63 13.798 -9.330 -7.986 488 HG3 GLU 63 HG1 GLU 63 13.895 -8.203 -6.635 489 H VAL 64 HN VAL 64 13.440 -4.294 -8.647 490 HA VAL 64 HA VAL 64 12.681 -3.725 -11.322 491 HB VAL 64 HB VAL 64 13.290 -1.817 -9.023 492 HG11 VAL 64 HG11 VAL 64 13.496 -0.607 -11.140 493 HG12 VAL 64 HG12 VAL 64 12.015 -0.115 -10.321 494 HG13 VAL 64 HG13 VAL 64 11.937 -1.232 -11.687 495 HG21 VAL 64 HG21 VAL 64 10.832 -1.685 -8.745 496 HG22 VAL 64 HG22 VAL 64 11.394 -3.348 -8.558 497 HG23 VAL 64 HG23 VAL 64 10.614 -2.847 -10.058 498 H ASN 65 HN ASN 65 15.521 -2.712 -9.417 499 HA ASN 65 HA ASN 65 16.943 -1.314 -11.372 500 HB2 ASN 65 HB2 ASN 65 17.913 -2.820 -8.904 501 HB3 ASN 65 HB1 ASN 65 18.972 -1.809 -9.885 502 HD21 ASN 65 HD21 ASN 65 19.336 -0.601 -7.932 503 HD22 ASN 65 HD22 ASN 65 18.201 0.597 -7.423 504 H ASP 66 HN ASP 66 16.808 -4.802 -10.756 505 HA ASP 66 HA ASP 66 18.942 -5.406 -12.666 506 HB2 ASP 66 HB2 ASP 66 18.739 -6.554 -10.413 507 HB3 ASP 66 HB1 ASP 66 17.237 -7.279 -10.959 508 H GLY 67 HN GLY 67 15.805 -4.604 -13.083 509 HA2 GLY 67 HA2 GLY 67 14.219 -4.931 -14.673 510 HA3 GLY 67 HA1 GLY 67 15.465 -5.699 -15.632 511 H LYS 68 HN LYS 68 14.798 -7.270 -12.611 512 HA LYS 68 HA LYS 68 13.680 -9.642 -13.736 513 HB2 LYS 68 HB2 LYS 68 13.666 -8.613 -10.869 514 HB3 LYS 68 HB1 LYS 68 13.081 -10.209 -11.339 515 HG2 LYS 68 HG2 LYS 68 15.409 -10.691 -12.206 516 HG3 LYS 68 HG1 LYS 68 15.925 -9.168 -11.467 517 HD2 LYS 68 HD2 LYS 68 15.234 -9.983 -9.249 518 HD3 LYS 68 HD1 LYS 68 14.611 -11.473 -9.965 519 HE2 LYS 68 HE2 LYS 68 16.737 -11.967 -8.984 520 HE3 LYS 68 HE1 LYS 68 16.952 -11.983 -10.732 521 HZ1 LYS 68 HZ1 LYS 68 17.864 -9.767 -10.595 522 HZ2 LYS 68 HZ2 LYS 68 18.746 -10.840 -9.635 523 HZ3 LYS 68 HZ3 LYS 68 17.664 -9.755 -8.919 524 H ALA 69 HN ALA 69 12.332 -6.683 -12.427 525 HA ALA 69 HA ALA 69 9.680 -7.289 -13.468 526 HB1 ALA 69 HB1 ALA 69 9.557 -8.177 -11.142 527 HB2 ALA 69 HB2 ALA 69 8.512 -6.773 -11.362 528 HB3 ALA 69 HB3 ALA 69 10.054 -6.604 -10.516 529 H THR 70 HN THR 70 8.295 -5.293 -13.282 530 HA THR 70 HA THR 70 9.870 -2.908 -13.952 531 HB THR 70 HB THR 70 7.689 -1.912 -14.640 532 HG1 THR 70 HG1 THR 70 5.810 -2.961 -14.353 533 HG21 THR 70 HG21 THR 70 8.109 -4.702 -15.777 534 HG22 THR 70 HG22 THR 70 8.918 -3.230 -16.326 535 HG23 THR 70 HG23 THR 70 7.175 -3.409 -16.537 536 H THR 71 HN THR 71 9.265 -0.778 -13.006 537 HA THR 71 HA THR 71 9.251 -0.568 -10.225 538 HB THR 71 HB THR 71 8.395 1.802 -10.573 539 HG1 THR 71 HG1 THR 71 8.159 2.451 -12.825 540 HG21 THR 71 HG21 THR 71 10.313 2.641 -11.882 541 HG22 THR 71 HG22 THR 71 10.639 1.002 -12.451 542 HG23 THR 71 HG23 THR 71 10.808 1.393 -10.739 543 H GLU 72 HN GLU 72 6.607 -0.333 -12.523 544 HA GLU 72 HA GLU 72 4.399 0.289 -11.132 545 HB2 GLU 72 HB2 GLU 72 4.547 -1.885 -13.260 546 HB3 GLU 72 HB1 GLU 72 3.128 -0.923 -12.860 547 HG2 GLU 72 HG2 GLU 72 4.115 1.071 -13.757 548 HG3 GLU 72 HG1 GLU 72 5.694 0.307 -13.907 549 H GLN 73 HN GLN 73 5.707 -2.995 -11.401 550 HA GLN 73 HA GLN 73 3.691 -4.495 -10.227 551 HB2 GLN 73 HB2 GLN 73 6.679 -5.043 -10.079 552 HB3 GLN 73 HB1 GLN 73 5.419 -6.229 -9.766 553 HG2 GLN 73 HG2 GLN 73 5.909 -4.859 -12.427 554 HG3 GLN 73 HG1 GLN 73 6.471 -6.469 -11.991 555 HE21 GLN 73 HE21 GLN 73 5.373 -7.514 -13.609 556 HE22 GLN 73 HE22 GLN 73 3.657 -7.676 -13.650 557 H TYR 74 HN TYR 74 6.118 -2.558 -8.581 558 HA TYR 74 HA TYR 74 5.060 -3.438 -5.945 559 HB2 TYR 74 HB2 TYR 74 7.855 -2.381 -6.567 560 HB3 TYR 74 HB1 TYR 74 7.285 -2.971 -5.008 561 HD1 TYR 74 HD2 TYR 74 6.242 -5.462 -5.120 562 HD2 TYR 74 HD1 TYR 74 9.151 -3.898 -7.844 563 HE1 TYR 74 HE2 TYR 74 6.935 -7.739 -5.689 564 HE2 TYR 74 HE1 TYR 74 9.832 -6.192 -8.417 565 HH TYR 74 HH TYR 74 9.746 -8.462 -7.320 566 H PHE 75 HN PHE 75 5.443 -0.705 -8.062 567 HA PHE 75 HA PHE 75 5.357 1.224 -5.829 568 HB2 PHE 75 HB2 PHE 75 6.573 1.451 -8.621 569 HB3 PHE 75 HB1 PHE 75 6.327 2.840 -7.575 570 HD1 PHE 75 HD1 PHE 75 8.120 -0.473 -7.690 571 HD2 PHE 75 HD2 PHE 75 8.031 3.485 -6.068 572 HE1 PHE 75 HE1 PHE 75 10.351 -0.815 -6.715 573 HE2 PHE 75 HE2 PHE 75 10.260 3.130 -5.095 574 HZ PHE 75 HZ PHE 75 11.425 0.985 -5.414 575 H VAL 76 HN VAL 76 3.171 -0.231 -7.699 576 HA VAL 76 HA VAL 76 1.545 2.251 -7.955 577 HB VAL 76 HB VAL 76 0.941 -0.504 -9.145 578 HG11 VAL 76 HG11 VAL 76 -0.983 0.557 -10.271 579 HG12 VAL 76 HG12 VAL 76 -0.629 2.083 -9.455 580 HG13 VAL 76 HG13 VAL 76 -1.144 0.679 -8.517 581 HG21 VAL 76 HG21 VAL 76 1.699 2.067 -10.584 582 HG22 VAL 76 HG22 VAL 76 1.304 0.519 -11.339 583 HG23 VAL 76 HG23 VAL 76 2.749 0.666 -10.345 584 H LEU 77 HN LEU 77 -0.321 2.398 -6.780 585 HA LEU 77 HA LEU 77 -0.230 1.515 -4.173 586 HB2 LEU 77 HB2 LEU 77 -2.137 3.080 -5.836 587 HB3 LEU 77 HB1 LEU 77 -2.845 2.371 -4.404 588 HG LEU 77 HG LEU 77 -2.078 4.702 -4.043 589 HD11 LEU 77 HD11 LEU 77 -0.967 4.317 -1.904 590 HD12 LEU 77 HD12 LEU 77 -0.617 2.645 -2.359 591 HD13 LEU 77 HD13 LEU 77 -2.288 3.182 -2.154 592 HD21 LEU 77 HD21 LEU 77 0.735 3.611 -4.430 593 HD22 LEU 77 HD22 LEU 77 0.299 5.242 -3.912 594 HD23 LEU 77 HD23 LEU 77 -0.116 4.699 -5.532 595 H LYS 78 HN LYS 78 -2.225 0.198 -6.806 596 HA LYS 78 HA LYS 78 -3.808 -1.551 -5.213 597 HB2 LYS 78 HB2 LYS 78 -4.345 -2.699 -7.371 598 HB3 LYS 78 HB1 LYS 78 -4.501 -0.950 -7.491 599 HG2 LYS 78 HG2 LYS 78 -2.353 -0.793 -8.638 600 HG3 LYS 78 HG1 LYS 78 -2.096 -2.527 -8.447 601 HD2 LYS 78 HD2 LYS 78 -4.112 -2.926 -9.882 602 HD3 LYS 78 HD1 LYS 78 -4.235 -1.184 -10.142 603 HE2 LYS 78 HE2 LYS 78 -2.003 -1.185 -11.203 604 HE3 LYS 78 HE1 LYS 78 -1.855 -2.919 -10.910 605 HZ1 LYS 78 HZ1 LYS 78 -3.863 -3.216 -12.292 606 HZ2 LYS 78 HZ2 LYS 78 -2.539 -2.591 -13.141 607 HZ3 LYS 78 HZ3 LYS 78 -3.809 -1.570 -12.687 608 H ASN 79 HN ASN 79 -0.702 -1.947 -6.846 609 HA ASN 79 HA ASN 79 -0.459 -4.794 -6.458 610 HB2 ASN 79 HB2 ASN 79 1.563 -2.711 -7.408 611 HB3 ASN 79 HB1 ASN 79 1.809 -4.454 -7.472 612 HD21 ASN 79 HD21 ASN 79 1.703 -2.428 -9.611 613 HD22 ASN 79 HD22 ASN 79 0.531 -3.010 -10.731 614 H LEU 80 HN LEU 80 0.935 -1.904 -5.044 615 HA LEU 80 HA LEU 80 2.742 -3.039 -3.220 616 HB2 LEU 80 HB2 LEU 80 2.755 -0.640 -3.872 617 HB3 LEU 80 HB1 LEU 80 1.211 -0.405 -3.077 618 HG LEU 80 HG LEU 80 2.270 -0.855 -0.867 619 HD11 LEU 80 HD11 LEU 80 4.076 -2.352 -1.536 620 HD12 LEU 80 HD12 LEU 80 4.715 -0.983 -0.631 621 HD13 LEU 80 HD13 LEU 80 4.892 -1.036 -2.389 622 HD21 LEU 80 HD21 LEU 80 3.662 1.349 -2.436 623 HD22 LEU 80 HD22 LEU 80 3.532 1.247 -0.678 624 HD23 LEU 80 HD23 LEU 80 2.081 1.466 -1.653 625 H ALA 81 HN ALA 81 -0.651 -1.957 -2.860 626 HA ALA 81 HA ALA 81 -1.010 -2.675 -0.138 627 HB1 ALA 81 HB1 ALA 81 -2.472 -1.072 -1.298 628 HB2 ALA 81 HB2 ALA 81 -3.414 -2.380 -0.575 629 HB3 ALA 81 HB3 ALA 81 -3.100 -2.367 -2.315 630 H ALA 82 HN ALA 82 -1.462 -4.441 -3.167 631 HA ALA 82 HA ALA 82 -2.771 -6.732 -2.140 632 HB1 ALA 82 HB1 ALA 82 -2.069 -7.832 -4.233 633 HB2 ALA 82 HB2 ALA 82 -0.957 -6.503 -4.574 634 HB3 ALA 82 HB3 ALA 82 -2.699 -6.214 -4.550 635 H ARG 83 HN ARG 83 0.697 -6.010 -2.697 636 HA ARG 83 HA ARG 83 1.829 -8.392 -1.748 637 HB2 ARG 83 HB2 ARG 83 2.886 -5.544 -1.817 638 HB3 ARG 83 HB1 ARG 83 3.862 -6.860 -1.180 639 HG2 ARG 83 HG2 ARG 83 2.711 -6.956 -3.984 640 HG3 ARG 83 HG1 ARG 83 4.240 -6.151 -3.624 641 HD2 ARG 83 HD2 ARG 83 4.579 -8.473 -4.437 642 HD3 ARG 83 HD1 ARG 83 5.211 -8.239 -2.808 643 HE ARG 83 HE ARG 83 2.521 -9.375 -3.064 644 HH11 ARG 83 HH11 ARG 83 5.929 -10.081 -2.548 645 HH12 ARG 83 HH12 ARG 83 5.599 -11.564 -1.718 646 HH21 ARG 83 HH21 ARG 83 2.146 -11.305 -1.937 647 HH22 ARG 83 HH22 ARG 83 3.484 -12.267 -1.393 648 H ILE 84 HN ILE 84 1.036 -5.423 -0.022 649 HA ILE 84 HA ILE 84 2.043 -6.029 2.555 650 HB ILE 84 HB ILE 84 -0.205 -4.189 1.621 651 HG12 ILE 84 HG12 ILE 84 2.640 -3.453 2.439 652 HG13 ILE 84 HG11 ILE 84 2.166 -3.764 0.775 653 HG21 ILE 84 HG21 ILE 84 1.103 -4.232 4.361 654 HG22 ILE 84 HG22 ILE 84 -0.568 -4.655 3.994 655 HG23 ILE 84 HG23 ILE 84 -0.010 -2.997 3.780 656 HD11 ILE 84 HD11 ILE 84 1.060 -1.579 2.523 657 HD12 ILE 84 HD12 ILE 84 0.635 -1.883 0.836 658 HD13 ILE 84 HD13 ILE 84 2.276 -1.399 1.261 659 H ASP 85 HN ASP 85 -1.132 -6.483 1.047 660 HA ASP 85 HA ASP 85 -2.622 -7.449 3.212 661 HB2 ASP 85 HB2 ASP 85 -3.596 -6.677 1.076 662 HB3 ASP 85 HB1 ASP 85 -2.888 -8.045 0.233 663 H GLU 86 HN GLU 86 -0.717 -9.139 0.766 664 HA GLU 86 HA GLU 86 -1.238 -11.808 1.637 665 HB2 GLU 86 HB2 GLU 86 0.985 -10.675 -0.112 666 HB3 GLU 86 HB1 GLU 86 0.662 -12.394 0.083 667 HG2 GLU 86 HG2 GLU 86 -1.517 -12.158 -0.958 668 HG3 GLU 86 HG1 GLU 86 -1.339 -10.409 -1.034 669 H LEU 87 HN LEU 87 1.302 -9.445 2.421 670 HA LEU 87 HA LEU 87 2.992 -11.218 3.885 671 HB2 LEU 87 HB2 LEU 87 2.797 -8.187 4.102 672 HB3 LEU 87 HB1 LEU 87 4.077 -9.171 4.800 673 HG LEU 87 HG LEU 87 3.530 -8.702 1.853 674 HD11 LEU 87 HD11 LEU 87 4.696 -6.884 2.970 675 HD12 LEU 87 HD12 LEU 87 5.737 -7.693 1.804 676 HD13 LEU 87 HD13 LEU 87 5.941 -8.001 3.533 677 HD21 LEU 87 HD21 LEU 87 5.581 -10.595 3.038 678 HD22 LEU 87 HD22 LEU 87 5.433 -10.152 1.335 679 HD23 LEU 87 HD23 LEU 87 4.143 -11.050 2.121 680 H VAL 88 HN VAL 88 0.279 -9.143 4.845 681 HA VAL 88 HA VAL 88 0.484 -9.513 7.663 682 HB VAL 88 HB VAL 88 -1.980 -8.883 5.959 683 HG11 VAL 88 HG11 VAL 88 -3.044 -8.066 8.049 684 HG12 VAL 88 HG12 VAL 88 -1.658 -8.641 8.982 685 HG13 VAL 88 HG13 VAL 88 -2.689 -9.793 8.132 686 HG21 VAL 88 HG21 VAL 88 -0.212 -7.160 5.800 687 HG22 VAL 88 HG22 VAL 88 -0.199 -6.995 7.553 688 HG23 VAL 88 HG23 VAL 88 -1.634 -6.532 6.634 689 H ALA 89 HN ALA 89 -1.195 -11.267 5.085 690 HA ALA 89 HA ALA 89 -2.520 -13.206 6.670 691 HB1 ALA 89 HB1 ALA 89 -2.801 -14.422 4.534 692 HB2 ALA 89 HB2 ALA 89 -1.629 -13.348 3.762 693 HB3 ALA 89 HB3 ALA 89 -3.165 -12.705 4.348 694 H ALA 90 HN ALA 90 0.597 -13.236 4.951 695 HA ALA 90 HA ALA 90 1.326 -15.907 5.421 696 HB1 ALA 90 HB1 ALA 90 2.301 -14.507 3.633 697 HB2 ALA 90 HB2 ALA 90 3.556 -15.230 4.642 698 HB3 ALA 90 HB3 ALA 90 3.127 -13.529 4.848 699 H LYS 91 HN LYS 91 1.979 -12.931 7.272 700 HA LYS 91 HA LYS 91 3.900 -14.107 9.048 701 HB2 LYS 91 HB2 LYS 91 3.839 -12.061 10.301 702 HB3 LYS 91 HB1 LYS 91 3.687 -11.608 8.602 703 HG2 LYS 91 HG2 LYS 91 1.325 -11.226 8.844 704 HG3 LYS 91 HG1 LYS 91 1.322 -11.897 10.475 705 HD2 LYS 91 HD2 LYS 91 2.749 -10.003 11.221 706 HD3 LYS 91 HD1 LYS 91 2.656 -9.318 9.591 707 HE2 LYS 91 HE2 LYS 91 0.212 -9.124 9.802 708 HE3 LYS 91 HE1 LYS 91 0.277 -9.860 11.407 709 HZ1 LYS 91 HZ1 LYS 91 1.563 -8.022 12.182 710 HZ2 LYS 91 HZ2 LYS 91 0.138 -7.454 11.472 711 HZ3 LYS 91 HZ3 LYS 91 1.599 -7.340 10.640 712 H GLY 92 HN GLY 92 0.380 -13.923 8.962 713 HA2 GLY 92 HA2 GLY 92 -0.091 -14.690 11.715 714 HA3 GLY 92 HA1 GLY 92 -1.258 -14.681 10.394 715 H ALA 93 HN ALA 93 0.465 -16.265 8.660 716 HA ALA 93 HA ALA 93 0.932 -18.335 7.967 717 HB1 ALA 93 HB1 ALA 93 1.967 -19.930 9.507 718 HB2 ALA 93 HB2 ALA 93 1.406 -18.985 10.889 719 HB3 ALA 93 HB3 ALA 93 2.595 -18.300 9.782 720 H LEU 94 HN LEU 94 -0.517 -19.421 11.022 721 HA LEU 94 HA LEU 94 -3.077 -20.038 9.842 722 HB2 LEU 94 HB2 LEU 94 -1.441 -21.955 9.164 723 HB3 LEU 94 HB1 LEU 94 -1.450 -22.421 10.851 724 HG LEU 94 HG LEU 94 -2.969 -23.779 9.360 725 HD11 LEU 94 HD11 LEU 94 -4.896 -23.876 10.851 726 HD12 LEU 94 HD12 LEU 94 -4.430 -22.338 11.584 727 HD13 LEU 94 HD13 LEU 94 -3.387 -23.750 11.757 728 HD21 LEU 94 HD21 LEU 94 -3.712 -21.988 7.859 729 HD22 LEU 94 HD22 LEU 94 -4.634 -21.244 9.168 730 HD23 LEU 94 HD23 LEU 94 -5.083 -22.842 8.563 731 H GLU 95 HN GLU 95 -3.688 -18.601 11.495 732 HA GLU 95 HA GLU 95 -4.097 -19.966 14.094 733 HB2 GLU 95 HB2 GLU 95 -3.873 -16.943 13.647 734 HB3 GLU 95 HB1 GLU 95 -4.284 -17.725 15.173 735 HG2 GLU 95 HG2 GLU 95 -2.041 -18.801 15.193 736 HG3 GLU 95 HG1 GLU 95 -1.639 -17.957 13.699 737 H HIS 96 HN HIS 96 -5.680 -16.976 13.087 738 HA HIS 96 HA HIS 96 -8.022 -18.220 11.927 739 HB2 HIS 96 HB2 HIS 96 -8.175 -16.898 14.670 740 HB3 HIS 96 HB1 HIS 96 -9.579 -17.052 13.625 741 HD1 HIS 96 HD1 HIS 96 -7.462 -18.975 15.994 742 HD2 HIS 96 HD2 HIS 96 -10.494 -19.734 13.245 743 HE1 HIS 96 HE1 HIS 96 -8.261 -21.302 16.501 744 HE2 HIS 96 HE2 HIS 96 -10.228 -21.645 14.969 745 H HIS 97 HN HIS 97 -9.742 -16.381 11.655 746 HA HIS 97 HA HIS 97 -10.436 -14.471 10.758 747 HB2 HIS 97 HB2 HIS 97 -7.905 -13.232 11.921 748 HB3 HIS 97 HB1 HIS 97 -9.184 -12.308 11.139 749 HD1 HIS 97 HD1 HIS 97 -8.275 -13.943 14.330 750 HD2 HIS 97 HD2 HIS 97 -11.634 -12.187 12.629 751 HE1 HIS 97 HE1 HIS 97 -9.869 -13.558 16.229 752 HE2 HIS 97 HE2 HIS 97 -11.886 -12.478 15.183 753 H HIS 98 HN HIS 98 -6.926 -14.115 10.199 754 HA HIS 98 HA HIS 98 -5.607 -13.869 8.412 755 HB2 HIS 98 HB2 HIS 98 -7.885 -15.059 6.781 756 HB3 HIS 98 HB1 HIS 98 -6.283 -14.706 6.145 757 HD1 HIS 98 HD1 HIS 98 -4.476 -16.451 6.505 758 HD2 HIS 98 HD2 HIS 98 -7.926 -17.246 8.683 759 HE1 HIS 98 HE1 HIS 98 -4.164 -18.753 7.455 760 HE2 HIS 98 HE2 HIS 98 -6.359 -19.291 8.538 761 H HIS 99 HN HIS 99 -8.853 -13.055 7.195 762 HA HIS 99 HA HIS 99 -8.141 -10.184 7.279 763 HB2 HIS 99 HB2 HIS 99 -9.893 -11.500 5.141 764 HB3 HIS 99 HB1 HIS 99 -9.515 -9.785 5.265 765 HD1 HIS 99 HD1 HIS 99 -8.250 -12.976 3.925 766 HD2 HIS 99 HD2 HIS 99 -6.807 -9.131 4.542 767 HE1 HIS 99 HE1 HIS 99 -6.080 -12.869 2.662 768 HE2 HIS 99 HE2 HIS 99 -5.334 -10.476 2.899 769 H HIS 100 HN HIS 100 -10.938 -12.295 6.652 770 HA HIS 100 HA HIS 100 -12.240 -11.908 9.148 771 HB2 HIS 100 HB2 HIS 100 -12.756 -9.668 8.113 772 HB3 HIS 100 HB1 HIS 100 -13.508 -10.484 6.748 773 HD1 HIS 100 HD1 HIS 100 -15.954 -11.038 6.986 774 HD2 HIS 100 HD2 HIS 100 -14.197 -10.101 10.634 775 HE1 HIS 100 HE1 HIS 100 -17.846 -10.893 8.628 776 HE2 HIS 100 HE2 HIS 100 -16.734 -10.528 10.853 777 H HIS 101 HN HIS 101 -12.691 -14.054 9.252 778 HA HIS 101 HA HIS 101 -14.007 -15.404 6.967 779 HB2 HIS 101 HB2 HIS 101 -11.749 -16.289 7.779 780 HB3 HIS 101 HB1 HIS 101 -12.532 -16.736 9.291 781 HD1 HIS 101 HD1 HIS 101 -12.082 -17.806 5.772 782 HD2 HIS 101 HD2 HIS 101 -14.405 -18.915 9.038 783 HE1 HIS 101 HE1 HIS 101 -13.019 -20.064 5.198 784 HE2 HIS 101 HE2 HIS 101 -14.323 -20.770 7.235 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -16.470 1.465 5.482 2 H2 MET 1 HT2 MET 1 -15.775 0.514 6.693 3 H3 MET 1 HT3 MET 1 -17.151 -0.034 5.881 4 HA MET 1 HA MET 1 -15.182 -1.166 5.124 5 HB2 MET 1 HB2 MET 1 -16.317 0.746 3.028 6 HB3 MET 1 HB1 MET 1 -15.450 -0.745 2.685 7 HG2 MET 1 HG2 MET 1 -17.235 -2.049 3.739 8 HG3 MET 1 HG1 MET 1 -18.097 -0.565 4.133 9 HE1 MET 1 HE1 MET 1 -16.952 -2.995 1.248 10 HE2 MET 1 HE2 MET 1 -16.183 -1.488 0.743 11 HE3 MET 1 HE3 MET 1 -17.527 -2.143 -0.188 12 H THR 2 HN THR 2 -13.142 -0.770 5.764 13 HA THR 2 HA THR 2 -11.576 1.335 4.430 14 HB THR 2 HB THR 2 -11.450 0.835 7.452 15 HG1 THR 2 HG1 THR 2 -12.772 2.770 5.884 16 HG21 THR 2 HG21 THR 2 -9.960 2.823 7.509 17 HG22 THR 2 HG22 THR 2 -10.024 2.929 5.751 18 HG23 THR 2 HG23 THR 2 -9.258 1.542 6.522 19 H SER 3 HN SER 3 -10.780 -0.324 3.160 20 HA SER 3 HA SER 3 -9.659 -2.771 4.241 21 HB2 SER 3 HB2 SER 3 -11.012 -2.726 2.132 22 HB3 SER 3 HB1 SER 3 -9.782 -1.723 1.366 23 HG SER 3 HG SER 3 -9.152 -3.666 0.761 24 H THR 4 HN THR 4 -7.488 -3.345 2.761 25 HA THR 4 HA THR 4 -5.323 -2.291 4.082 26 HB THR 4 HB THR 4 -5.340 -3.509 1.281 27 HG1 THR 4 HG1 THR 4 -4.695 -4.930 3.626 28 HG21 THR 4 HG21 THR 4 -3.163 -2.456 1.744 29 HG22 THR 4 HG22 THR 4 -3.016 -4.214 1.784 30 HG23 THR 4 HG23 THR 4 -3.063 -3.299 3.294 31 H PHE 5 HN PHE 5 -6.388 -1.406 0.767 32 HA PHE 5 HA PHE 5 -4.421 0.505 0.194 33 HB2 PHE 5 HB2 PHE 5 -5.677 -0.237 -1.676 34 HB3 PHE 5 HB1 PHE 5 -7.219 0.070 -0.889 35 HD1 PHE 5 HD1 PHE 5 -4.212 1.871 -2.233 36 HD2 PHE 5 HD2 PHE 5 -8.397 2.061 -1.375 37 HE1 PHE 5 HE1 PHE 5 -4.329 4.098 -3.239 38 HE2 PHE 5 HE2 PHE 5 -8.498 4.295 -2.395 39 HZ PHE 5 HZ PHE 5 -6.461 5.312 -3.319 40 H ASP 6 HN ASP 6 -7.572 0.958 1.803 41 HA ASP 6 HA ASP 6 -7.657 3.786 1.856 42 HB2 ASP 6 HB2 ASP 6 -8.816 1.803 3.863 43 HB3 ASP 6 HB1 ASP 6 -9.244 3.511 3.772 44 H ARG 7 HN ARG 7 -6.324 1.436 4.166 45 HA ARG 7 HA ARG 7 -5.363 3.188 6.142 46 HB2 ARG 7 HB2 ARG 7 -4.119 0.537 5.300 47 HB3 ARG 7 HB1 ARG 7 -3.879 1.351 6.846 48 HG2 ARG 7 HG2 ARG 7 -6.517 0.218 5.853 49 HG3 ARG 7 HG1 ARG 7 -5.419 -0.592 6.973 50 HD2 ARG 7 HD2 ARG 7 -5.729 1.297 8.580 51 HD3 ARG 7 HD1 ARG 7 -6.894 2.022 7.461 52 HE ARG 7 HE ARG 7 -7.629 -0.660 8.039 53 HH11 ARG 7 HH11 ARG 7 -7.666 2.513 9.539 54 HH12 ARG 7 HH12 ARG 7 -8.992 2.130 10.590 55 HH21 ARG 7 HH21 ARG 7 -9.359 -1.156 9.418 56 HH22 ARG 7 HH22 ARG 7 -9.950 0.046 10.525 57 H VAL 8 HN VAL 8 -3.846 1.946 3.168 58 HA VAL 8 HA VAL 8 -1.207 2.912 3.692 59 HB VAL 8 HB VAL 8 -2.506 1.948 1.096 60 HG11 VAL 8 HG11 VAL 8 -0.197 1.547 0.284 61 HG12 VAL 8 HG12 VAL 8 0.449 2.295 1.745 62 HG13 VAL 8 HG13 VAL 8 -0.482 3.261 0.600 63 HG21 VAL 8 HG21 VAL 8 -2.532 0.255 2.896 64 HG22 VAL 8 HG22 VAL 8 -0.788 0.428 3.090 65 HG23 VAL 8 HG23 VAL 8 -1.449 -0.214 1.585 66 H ALA 9 HN ALA 9 -3.948 4.075 1.780 67 HA ALA 9 HA ALA 9 -2.780 6.221 0.429 68 HB1 ALA 9 HB1 ALA 9 -5.667 5.920 1.364 69 HB2 ALA 9 HB2 ALA 9 -5.003 5.330 -0.162 70 HB3 ALA 9 HB3 ALA 9 -5.092 7.065 0.144 71 H THR 10 HN THR 10 -4.406 6.020 3.588 72 HA THR 10 HA THR 10 -4.125 8.700 4.416 73 HB THR 10 HB THR 10 -4.309 6.161 6.099 74 HG1 THR 10 HG1 THR 10 -6.239 6.191 5.248 75 HG21 THR 10 HG21 THR 10 -5.180 7.622 7.908 76 HG22 THR 10 HG22 THR 10 -4.819 9.046 6.930 77 HG23 THR 10 HG23 THR 10 -3.506 8.015 7.507 78 H ILE 11 HN ILE 11 -1.963 5.855 4.966 79 HA ILE 11 HA ILE 11 0.030 7.060 6.512 80 HB ILE 11 HB ILE 11 0.227 4.801 4.467 81 HG12 ILE 11 HG12 ILE 11 0.122 4.703 7.517 82 HG13 ILE 11 HG11 ILE 11 -1.250 4.405 6.459 83 HG21 ILE 11 HG21 ILE 11 2.383 4.154 5.536 84 HG22 ILE 11 HG22 ILE 11 2.344 5.649 6.477 85 HG23 ILE 11 HG23 ILE 11 2.472 5.714 4.717 86 HD11 ILE 11 HD11 ILE 11 -0.315 2.338 7.321 87 HD12 ILE 11 HD12 ILE 11 1.255 2.723 6.613 88 HD13 ILE 11 HD13 ILE 11 -0.138 2.417 5.568 89 H ILE 12 HN ILE 12 -0.104 6.712 2.943 90 HA ILE 12 HA ILE 12 2.239 8.055 2.278 91 HB ILE 12 HB ILE 12 -0.354 7.742 0.707 92 HG12 ILE 12 HG12 ILE 12 2.287 6.232 0.632 93 HG13 ILE 12 HG11 ILE 12 0.736 5.608 1.171 94 HG21 ILE 12 HG21 ILE 12 0.906 8.341 -1.342 95 HG22 ILE 12 HG22 ILE 12 2.306 8.760 -0.355 96 HG23 ILE 12 HG23 ILE 12 0.813 9.691 -0.209 97 HD11 ILE 12 HD11 ILE 12 1.315 4.725 -0.992 98 HD12 ILE 12 HD12 ILE 12 1.490 6.349 -1.655 99 HD13 ILE 12 HD13 ILE 12 -0.097 5.768 -1.142 100 H ALA 13 HN ALA 13 -1.105 9.311 2.362 101 HA ALA 13 HA ALA 13 -0.870 11.914 1.668 102 HB1 ALA 13 HB1 ALA 13 -2.611 10.833 3.905 103 HB2 ALA 13 HB2 ALA 13 -2.998 10.785 2.185 104 HB3 ALA 13 HB3 ALA 13 -2.892 12.337 3.019 105 H GLU 14 HN GLU 14 -0.579 10.735 5.004 106 HA GLU 14 HA GLU 14 0.031 13.299 6.145 107 HB2 GLU 14 HB2 GLU 14 0.334 10.540 7.408 108 HB3 GLU 14 HB1 GLU 14 0.307 12.080 8.270 109 HG2 GLU 14 HG2 GLU 14 -2.009 12.454 7.467 110 HG3 GLU 14 HG1 GLU 14 -1.983 10.864 6.700 111 H THR 15 HN THR 15 2.017 10.766 4.779 112 HA THR 15 HA THR 15 4.500 11.783 5.947 113 HB THR 15 HB THR 15 4.112 9.598 3.842 114 HG1 THR 15 HG1 THR 15 3.475 8.445 5.492 115 HG21 THR 15 HG21 THR 15 6.519 10.238 5.601 116 HG22 THR 15 HG22 THR 15 6.422 10.484 3.852 117 HG23 THR 15 HG23 THR 15 6.368 8.852 4.521 118 H CYS 16 HN CYS 16 2.598 12.450 3.100 119 HA CYS 16 HA CYS 16 4.978 13.342 1.557 120 HB2 CYS 16 HB2 CYS 16 3.964 11.357 0.533 121 HB3 CYS 16 HB1 CYS 16 2.380 12.123 0.528 122 HG CYS 16 HG CYS 16 2.928 13.940 -1.438 123 H ASP 17 HN ASP 17 2.390 14.509 3.285 124 HA ASP 17 HA ASP 17 1.176 16.406 3.408 125 HB2 ASP 17 HB2 ASP 17 3.441 17.510 1.693 126 HB3 ASP 17 HB1 ASP 17 2.221 18.513 2.470 127 H ILE 18 HN ILE 18 -0.053 14.771 1.834 128 HA ILE 18 HA ILE 18 -1.211 16.398 -0.320 129 HB ILE 18 HB ILE 18 -1.351 14.352 -1.813 130 HG12 ILE 18 HG12 ILE 18 0.732 13.216 0.118 131 HG13 ILE 18 HG11 ILE 18 -0.885 12.580 -0.151 132 HG21 ILE 18 HG21 ILE 18 0.242 16.167 -2.273 133 HG22 ILE 18 HG22 ILE 18 0.886 14.604 -2.767 134 HG23 ILE 18 HG23 ILE 18 1.462 15.361 -1.281 135 HD11 ILE 18 HD11 ILE 18 0.758 11.218 -1.264 136 HD12 ILE 18 HD12 ILE 18 1.375 12.616 -2.141 137 HD13 ILE 18 HD13 ILE 18 -0.257 12.021 -2.465 138 HA PRO 19 HA PRO 19 -5.064 14.649 1.324 139 HB2 PRO 19 HB2 PRO 19 -6.280 14.839 -1.390 140 HB3 PRO 19 HB1 PRO 19 -6.693 15.723 0.081 141 HG2 PRO 19 HG2 PRO 19 -5.501 16.939 -2.012 142 HG3 PRO 19 HG1 PRO 19 -5.142 17.412 -0.335 143 HD2 PRO 19 HD2 PRO 19 -3.544 15.611 -2.180 144 HD3 PRO 19 HD1 PRO 19 -2.980 16.940 -1.134 145 H ARG 20 HN ARG 20 -5.626 12.498 1.622 146 HA ARG 20 HA ARG 20 -4.440 10.452 0.034 147 HB2 ARG 20 HB2 ARG 20 -5.363 8.877 1.572 148 HB3 ARG 20 HB1 ARG 20 -4.912 10.278 2.513 149 HG2 ARG 20 HG2 ARG 20 -6.939 9.914 3.494 150 HG3 ARG 20 HG1 ARG 20 -7.516 10.884 2.141 151 HD2 ARG 20 HD2 ARG 20 -8.033 8.798 0.895 152 HD3 ARG 20 HD1 ARG 20 -7.473 7.850 2.274 153 HE ARG 20 HE ARG 20 -9.387 9.429 3.366 154 HH11 ARG 20 HH11 ARG 20 -9.443 7.287 0.579 155 HH12 ARG 20 HH12 ARG 20 -11.127 6.920 0.764 156 HH21 ARG 20 HH21 ARG 20 -11.580 8.956 3.567 157 HH22 ARG 20 HH22 ARG 20 -12.336 7.861 2.449 158 H GLU 21 HN GLU 21 -7.290 12.253 -0.398 159 HA GLU 21 HA GLU 21 -8.905 10.232 -1.701 160 HB2 GLU 21 HB2 GLU 21 -10.467 12.099 -2.148 161 HB3 GLU 21 HB1 GLU 21 -9.967 12.084 -0.460 162 HG2 GLU 21 HG2 GLU 21 -8.330 13.894 -0.950 163 HG3 GLU 21 HG1 GLU 21 -8.915 13.952 -2.610 164 H THR 22 HN THR 22 -6.386 12.476 -2.595 165 HA THR 22 HA THR 22 -6.877 12.163 -5.468 166 HB THR 22 HB THR 22 -4.955 13.701 -5.772 167 HG1 THR 22 HG1 THR 22 -3.726 13.102 -3.920 168 HG21 THR 22 HG21 THR 22 -7.192 14.711 -5.422 169 HG22 THR 22 HG22 THR 22 -5.920 15.735 -4.757 170 HG23 THR 22 HG23 THR 22 -6.904 14.745 -3.679 171 H ILE 23 HN ILE 23 -5.714 10.155 -3.204 172 HA ILE 23 HA ILE 23 -3.753 8.851 -4.986 173 HB ILE 23 HB ILE 23 -4.442 8.424 -2.033 174 HG12 ILE 23 HG12 ILE 23 -1.940 8.694 -1.703 175 HG13 ILE 23 HG11 ILE 23 -1.801 9.073 -3.413 176 HG21 ILE 23 HG21 ILE 23 -4.301 6.201 -3.004 177 HG22 ILE 23 HG22 ILE 23 -2.887 6.494 -1.990 178 HG23 ILE 23 HG23 ILE 23 -2.749 6.588 -3.750 179 HD11 ILE 23 HD11 ILE 23 -3.155 11.055 -3.083 180 HD12 ILE 23 HD12 ILE 23 -1.729 11.044 -2.058 181 HD13 ILE 23 HD13 ILE 23 -3.305 10.672 -1.368 182 H THR 24 HN THR 24 -4.483 7.150 -6.169 183 HA THR 24 HA THR 24 -7.103 5.876 -5.554 184 HB THR 24 HB THR 24 -7.310 5.520 -8.083 185 HG1 THR 24 HG1 THR 24 -4.992 7.096 -7.983 186 HG21 THR 24 HG21 THR 24 -8.193 7.779 -8.550 187 HG22 THR 24 HG22 THR 24 -7.333 8.416 -7.146 188 HG23 THR 24 HG23 THR 24 -8.644 7.257 -6.926 189 HA PRO 25 HA PRO 25 -5.097 1.816 -5.705 190 HB2 PRO 25 HB2 PRO 25 -7.180 1.151 -7.802 191 HB3 PRO 25 HB1 PRO 25 -6.647 0.202 -6.400 192 HG2 PRO 25 HG2 PRO 25 -8.918 1.544 -6.243 193 HG3 PRO 25 HG1 PRO 25 -7.794 1.587 -4.866 194 HD2 PRO 25 HD2 PRO 25 -8.301 3.694 -6.965 195 HD3 PRO 25 HD1 PRO 25 -8.026 3.881 -5.216 196 H GLU 26 HN GLU 26 -5.726 3.573 -8.769 197 HA GLU 26 HA GLU 26 -3.964 1.777 -10.283 198 HB2 GLU 26 HB2 GLU 26 -4.813 2.903 -12.269 199 HB3 GLU 26 HB1 GLU 26 -6.172 2.439 -11.249 200 HG2 GLU 26 HG2 GLU 26 -6.239 4.796 -10.380 201 HG3 GLU 26 HG1 GLU 26 -4.998 5.224 -11.557 202 H SER 27 HN SER 27 -3.556 4.465 -8.345 203 HA SER 27 HA SER 27 -1.889 6.102 -10.079 204 HB2 SER 27 HB2 SER 27 -1.565 7.545 -8.114 205 HB3 SER 27 HB1 SER 27 -3.270 7.146 -8.275 206 HG SER 27 HG SER 27 -2.171 5.326 -6.697 207 H HIS 28 HN HIS 28 0.250 5.988 -10.315 208 HA HIS 28 HA HIS 28 1.855 4.019 -8.876 209 HB2 HIS 28 HB2 HIS 28 2.079 4.582 -11.400 210 HB3 HIS 28 HB1 HIS 28 2.863 6.079 -10.898 211 HD2 HIS 28 HD2 HIS 28 3.671 2.480 -11.613 212 HE1 HIS 28 HE1 HIS 28 7.002 4.026 -9.540 213 HE2 HIS 28 HE2 HIS 28 6.192 2.234 -11.123 214 H ALA 29 HN ALA 29 2.889 4.589 -6.992 215 HA ALA 29 HA ALA 29 2.930 6.910 -5.624 216 HB1 ALA 29 HB1 ALA 29 5.198 4.894 -5.691 217 HB2 ALA 29 HB2 ALA 29 3.721 4.770 -4.728 218 HB3 ALA 29 HB3 ALA 29 4.879 6.060 -4.400 219 H ILE 30 HN ILE 30 5.122 6.158 -8.315 220 HA ILE 30 HA ILE 30 6.849 8.456 -7.632 221 HB ILE 30 HB ILE 30 7.402 6.211 -9.635 222 HG12 ILE 30 HG12 ILE 30 8.495 6.570 -6.803 223 HG13 ILE 30 HG11 ILE 30 7.322 5.348 -7.291 224 HG21 ILE 30 HG21 ILE 30 9.723 7.062 -9.638 225 HG22 ILE 30 HG22 ILE 30 9.259 8.359 -8.537 226 HG23 ILE 30 HG23 ILE 30 8.595 8.310 -10.172 227 HD11 ILE 30 HD11 ILE 30 10.197 5.546 -8.211 228 HD12 ILE 30 HD12 ILE 30 9.029 4.340 -8.762 229 HD13 ILE 30 HD13 ILE 30 9.526 4.377 -7.071 230 H ASP 31 HN ASP 31 5.292 6.902 -10.479 231 HA ASP 31 HA ASP 31 5.802 9.042 -12.288 232 HB2 ASP 31 HB2 ASP 31 3.866 6.691 -12.459 233 HB3 ASP 31 HB1 ASP 31 4.099 7.842 -13.774 234 H ASP 32 HN ASP 32 2.941 8.223 -10.340 235 HA ASP 32 HA ASP 32 1.363 10.347 -11.636 236 HB2 ASP 32 HB2 ASP 32 0.375 8.052 -11.394 237 HB3 ASP 32 HB1 ASP 32 0.469 8.206 -9.645 238 H LEU 33 HN LEU 33 2.046 9.208 -8.288 239 HA LEU 33 HA LEU 33 1.161 11.651 -7.079 240 HB2 LEU 33 HB2 LEU 33 2.671 9.332 -5.817 241 HB3 LEU 33 HB1 LEU 33 1.764 10.569 -4.964 242 HG LEU 33 HG LEU 33 0.562 8.432 -6.779 243 HD11 LEU 33 HD11 LEU 33 -0.370 7.476 -4.719 244 HD12 LEU 33 HD12 LEU 33 0.487 8.677 -3.750 245 HD13 LEU 33 HD13 LEU 33 1.390 7.482 -4.686 246 HD21 LEU 33 HD21 LEU 33 -0.824 10.571 -5.130 247 HD22 LEU 33 HD22 LEU 33 -1.634 9.236 -5.957 248 HD23 LEU 33 HD23 LEU 33 -0.776 10.459 -6.890 249 H GLY 34 HN GLY 34 4.136 10.795 -8.528 250 HA2 GLY 34 HA2 GLY 34 6.091 11.991 -8.778 251 HA3 GLY 34 HA1 GLY 34 5.297 13.331 -7.967 252 H ILE 35 HN ILE 35 5.724 10.222 -6.414 253 HA ILE 35 HA ILE 35 7.331 11.469 -4.286 254 HB ILE 35 HB ILE 35 5.886 8.775 -4.408 255 HG12 ILE 35 HG12 ILE 35 5.149 11.257 -2.794 256 HG13 ILE 35 HG11 ILE 35 4.383 10.807 -4.315 257 HG21 ILE 35 HG21 ILE 35 6.365 8.552 -1.999 258 HG22 ILE 35 HG22 ILE 35 7.313 10.041 -2.035 259 HG23 ILE 35 HG23 ILE 35 7.856 8.623 -2.940 260 HD11 ILE 35 HD11 ILE 35 4.329 9.204 -1.760 261 HD12 ILE 35 HD12 ILE 35 3.553 8.745 -3.280 262 HD13 ILE 35 HD13 ILE 35 3.024 10.187 -2.413 263 H ASP 36 HN ASP 36 9.517 11.125 -4.313 264 HA ASP 36 HA ASP 36 10.763 9.450 -6.242 265 HB2 ASP 36 HB2 ASP 36 11.673 11.640 -5.172 266 HB3 ASP 36 HB1 ASP 36 12.144 10.645 -3.800 267 H SER 37 HN SER 37 12.257 7.701 -5.757 268 HA SER 37 HA SER 37 11.089 5.588 -4.350 269 HB2 SER 37 HB2 SER 37 12.622 5.236 -6.239 270 HB3 SER 37 HB1 SER 37 13.962 5.908 -5.309 271 HG SER 37 HG SER 37 14.161 4.093 -4.265 272 H LEU 38 HN LEU 38 13.518 7.960 -3.301 273 HA LEU 38 HA LEU 38 14.384 6.470 -0.996 274 HB2 LEU 38 HB2 LEU 38 15.629 8.529 -0.376 275 HB3 LEU 38 HB1 LEU 38 15.966 7.954 -1.989 276 HG LEU 38 HG LEU 38 14.207 9.825 -2.715 277 HD11 LEU 38 HD11 LEU 38 14.282 11.838 -1.310 278 HD12 LEU 38 HD12 LEU 38 15.134 10.941 -0.052 279 HD13 LEU 38 HD13 LEU 38 13.483 10.501 -0.493 280 HD21 LEU 38 HD21 LEU 38 16.549 9.799 -3.412 281 HD22 LEU 38 HD22 LEU 38 17.044 10.514 -1.878 282 HD23 LEU 38 HD23 LEU 38 16.047 11.437 -3.003 283 H ASP 39 HN ASP 39 11.923 8.899 -1.630 284 HA ASP 39 HA ASP 39 11.147 9.358 1.102 285 HB2 ASP 39 HB2 ASP 39 9.634 9.780 -1.515 286 HB3 ASP 39 HB1 ASP 39 9.019 10.277 0.058 287 H PHE 40 HN PHE 40 10.172 7.127 -1.475 288 HA PHE 40 HA PHE 40 7.857 6.106 -0.146 289 HB2 PHE 40 HB2 PHE 40 8.282 6.034 -2.672 290 HB3 PHE 40 HB1 PHE 40 9.395 4.698 -2.373 291 HD1 PHE 40 HD1 PHE 40 5.847 5.785 -1.939 292 HD2 PHE 40 HD2 PHE 40 8.541 2.467 -2.118 293 HE1 PHE 40 HE1 PHE 40 3.946 4.232 -1.958 294 HE2 PHE 40 HE2 PHE 40 6.629 0.923 -2.152 295 HZ PHE 40 HZ PHE 40 4.339 1.807 -2.079 296 H LEU 41 HN LEU 41 11.275 5.238 -0.093 297 HA LEU 41 HA LEU 41 11.216 2.779 1.250 298 HB2 LEU 41 HB2 LEU 41 13.119 5.132 1.545 299 HB3 LEU 41 HB1 LEU 41 13.406 3.570 2.299 300 HG LEU 41 HG LEU 41 13.198 3.993 -0.714 301 HD11 LEU 41 HD11 LEU 41 15.169 5.149 0.170 302 HD12 LEU 41 HD12 LEU 41 15.637 3.734 -0.766 303 HD13 LEU 41 HD13 LEU 41 15.686 3.677 0.998 304 HD21 LEU 41 HD21 LEU 41 14.143 1.723 -0.869 305 HD22 LEU 41 HD22 LEU 41 12.602 1.715 -0.016 306 HD23 LEU 41 HD23 LEU 41 14.112 1.580 0.892 307 H ASP 42 HN ASP 42 10.901 6.065 2.493 308 HA ASP 42 HA ASP 42 10.767 5.384 5.290 309 HB2 ASP 42 HB2 ASP 42 11.652 7.568 4.518 310 HB3 ASP 42 HB1 ASP 42 10.081 7.976 3.841 311 H ILE 43 HN ILE 43 8.399 6.235 2.773 312 HA ILE 43 HA ILE 43 6.051 6.265 4.345 313 HB ILE 43 HB ILE 43 6.338 5.487 1.404 314 HG12 ILE 43 HG12 ILE 43 5.679 8.174 2.684 315 HG13 ILE 43 HG11 ILE 43 7.164 7.768 1.836 316 HG21 ILE 43 HG21 ILE 43 3.932 5.998 1.174 317 HG22 ILE 43 HG22 ILE 43 3.817 6.291 2.910 318 HG23 ILE 43 HG23 ILE 43 4.194 4.673 2.310 319 HD11 ILE 43 HD11 ILE 43 5.761 9.133 0.459 320 HD12 ILE 43 HD12 ILE 43 4.411 8.017 0.638 321 HD13 ILE 43 HD13 ILE 43 5.858 7.521 -0.244 322 H ALA 44 HN ALA 44 7.729 3.647 2.662 323 HA ALA 44 HA ALA 44 5.727 1.650 3.163 324 HB1 ALA 44 HB1 ALA 44 8.578 1.341 2.179 325 HB2 ALA 44 HB2 ALA 44 7.141 1.546 1.171 326 HB3 ALA 44 HB3 ALA 44 7.322 0.093 2.157 327 H PHE 45 HN PHE 45 8.808 2.596 4.679 328 HA PHE 45 HA PHE 45 8.966 0.551 6.614 329 HB2 PHE 45 HB2 PHE 45 10.799 2.176 6.117 330 HB3 PHE 45 HB1 PHE 45 9.868 3.455 6.884 331 HD1 PHE 45 HD1 PHE 45 11.453 0.130 7.586 332 HD2 PHE 45 HD2 PHE 45 10.108 3.835 9.235 333 HE1 PHE 45 HE1 PHE 45 12.473 -0.454 9.742 334 HE2 PHE 45 HE2 PHE 45 11.125 3.233 11.391 335 HZ PHE 45 HZ PHE 45 12.311 1.094 11.645 336 H ALA 46 HN ALA 46 7.095 3.554 6.518 337 HA ALA 46 HA ALA 46 6.024 3.420 9.171 338 HB1 ALA 46 HB1 ALA 46 4.916 4.829 6.718 339 HB2 ALA 46 HB2 ALA 46 6.056 5.512 7.880 340 HB3 ALA 46 HB3 ALA 46 4.413 5.114 8.389 341 H ILE 47 HN ILE 47 5.018 2.159 6.016 342 HA ILE 47 HA ILE 47 2.496 1.071 6.719 343 HB ILE 47 HB ILE 47 4.497 0.253 4.574 344 HG12 ILE 47 HG12 ILE 47 1.875 1.788 4.311 345 HG13 ILE 47 HG11 ILE 47 3.466 2.539 4.345 346 HG21 ILE 47 HG21 ILE 47 2.716 -1.046 3.492 347 HG22 ILE 47 HG22 ILE 47 1.643 -0.737 4.855 348 HG23 ILE 47 HG23 ILE 47 3.106 -1.696 5.085 349 HD11 ILE 47 HD11 ILE 47 2.606 2.397 2.085 350 HD12 ILE 47 HD12 ILE 47 2.440 0.646 2.214 351 HD13 ILE 47 HD13 ILE 47 4.043 1.392 2.246 352 H ASP 48 HN ASP 48 5.791 -0.307 6.776 353 HA ASP 48 HA ASP 48 5.330 -2.914 7.603 354 HB2 ASP 48 HB2 ASP 48 7.624 -1.044 8.345 355 HB3 ASP 48 HB1 ASP 48 7.611 -2.754 8.765 356 H LYS 49 HN LYS 49 5.797 -0.039 9.587 357 HA LYS 49 HA LYS 49 5.626 -1.250 12.141 358 HB2 LYS 49 HB2 LYS 49 5.085 1.629 11.300 359 HB3 LYS 49 HB1 LYS 49 5.337 1.099 12.965 360 HG2 LYS 49 HG2 LYS 49 7.631 0.511 12.499 361 HG3 LYS 49 HG1 LYS 49 7.407 0.783 10.769 362 HD2 LYS 49 HD2 LYS 49 8.604 2.667 11.750 363 HD3 LYS 49 HD1 LYS 49 7.007 3.197 11.215 364 HE2 LYS 49 HE2 LYS 49 7.509 4.178 13.388 365 HE3 LYS 49 HE1 LYS 49 6.201 3.012 13.572 366 HZ1 LYS 49 HZ1 LYS 49 7.806 1.407 14.402 367 HZ2 LYS 49 HZ2 LYS 49 7.829 2.815 15.333 368 HZ3 LYS 49 HZ3 LYS 49 9.059 2.526 14.211 369 H ALA 50 HN ALA 50 3.207 0.540 10.222 370 HA ALA 50 HA ALA 50 1.099 0.531 12.085 371 HB1 ALA 50 HB1 ALA 50 -0.305 1.220 10.182 372 HB2 ALA 50 HB2 ALA 50 0.968 0.738 9.052 373 HB3 ALA 50 HB3 ALA 50 1.240 2.074 10.174 374 H PHE 51 HN PHE 51 1.713 -1.640 9.313 375 HA PHE 51 HA PHE 51 -0.622 -3.299 9.852 376 HB2 PHE 51 HB2 PHE 51 1.532 -3.375 7.714 377 HB3 PHE 51 HB1 PHE 51 0.337 -4.657 7.862 378 HD1 PHE 51 HD2 PHE 51 0.866 -1.132 6.898 379 HD2 PHE 51 HD1 PHE 51 -2.011 -4.277 7.287 380 HE1 PHE 51 HE2 PHE 51 -0.704 0.119 5.483 381 HE2 PHE 51 HE1 PHE 51 -3.569 -3.013 5.865 382 HZ PHE 51 HZ PHE 51 -2.914 -0.822 4.957 383 H GLY 52 HN GLY 52 2.552 -3.225 11.020 384 HA2 GLY 52 HA2 GLY 52 3.711 -4.634 12.422 385 HA3 GLY 52 HA1 GLY 52 2.272 -5.640 12.511 386 H ILE 53 HN ILE 53 3.894 -4.833 9.538 387 HA ILE 53 HA ILE 53 4.882 -7.594 9.158 388 HB ILE 53 HB ILE 53 4.434 -7.359 6.734 389 HG12 ILE 53 HG12 ILE 53 2.940 -4.772 7.402 390 HG13 ILE 53 HG11 ILE 53 4.537 -4.812 6.667 391 HG21 ILE 53 HG21 ILE 53 1.942 -6.940 8.425 392 HG22 ILE 53 HG22 ILE 53 2.762 -8.476 8.139 393 HG23 ILE 53 HG23 ILE 53 1.987 -7.633 6.798 394 HD11 ILE 53 HD11 ILE 53 2.816 -4.417 5.029 395 HD12 ILE 53 HD12 ILE 53 2.002 -5.911 5.479 396 HD13 ILE 53 HD13 ILE 53 3.597 -5.967 4.724 397 H LYS 54 HN LYS 54 6.479 -7.452 7.082 398 HA LYS 54 HA LYS 54 8.071 -4.982 7.119 399 HB2 LYS 54 HB2 LYS 54 9.048 -7.000 8.570 400 HB3 LYS 54 HB1 LYS 54 9.521 -7.658 7.007 401 HG2 LYS 54 HG2 LYS 54 10.315 -4.886 7.976 402 HG3 LYS 54 HG1 LYS 54 11.288 -6.324 8.272 403 HD2 LYS 54 HD2 LYS 54 11.709 -6.622 5.904 404 HD3 LYS 54 HD1 LYS 54 10.530 -5.378 5.481 405 HE2 LYS 54 HE2 LYS 54 12.902 -4.601 5.294 406 HE3 LYS 54 HE1 LYS 54 11.941 -3.643 6.416 407 HZ1 LYS 54 HZ1 LYS 54 13.781 -5.824 7.210 408 HZ2 LYS 54 HZ2 LYS 54 12.930 -4.801 8.254 409 HZ3 LYS 54 HZ3 LYS 54 14.154 -4.175 7.270 410 H LEU 55 HN LEU 55 7.238 -4.370 5.115 411 HA LEU 55 HA LEU 55 7.272 -5.925 2.748 412 HB2 LEU 55 HB2 LEU 55 7.743 -2.927 3.019 413 HB3 LEU 55 HB1 LEU 55 7.356 -3.765 1.524 414 HG LEU 55 HG LEU 55 5.494 -3.400 3.914 415 HD11 LEU 55 HD11 LEU 55 5.804 -1.328 2.641 416 HD12 LEU 55 HD12 LEU 55 4.180 -1.971 2.394 417 HD13 LEU 55 HD13 LEU 55 5.403 -2.168 1.135 418 HD21 LEU 55 HD21 LEU 55 4.930 -4.779 1.265 419 HD22 LEU 55 HD22 LEU 55 3.750 -4.455 2.535 420 HD23 LEU 55 HD23 LEU 55 5.078 -5.565 2.837 421 HA PRO 56 HA PRO 56 11.876 -5.825 2.296 422 HB2 PRO 56 HB2 PRO 56 12.065 -7.529 0.199 423 HB3 PRO 56 HB1 PRO 56 11.749 -8.125 1.838 424 HG2 PRO 56 HG2 PRO 56 9.794 -7.615 -0.414 425 HG3 PRO 56 HG1 PRO 56 9.912 -9.029 0.658 426 HD2 PRO 56 HD2 PRO 56 8.114 -7.012 1.082 427 HD3 PRO 56 HD1 PRO 56 8.824 -7.942 2.417 428 H LEU 57 HN LEU 57 10.831 -3.566 1.685 429 HA LEU 57 HA LEU 57 10.445 -2.779 -1.008 430 HB2 LEU 57 HB2 LEU 57 10.008 -1.544 1.381 431 HB3 LEU 57 HB1 LEU 57 11.528 -0.778 0.992 432 HG LEU 57 HG LEU 57 9.667 0.660 0.365 433 HD11 LEU 57 HD11 LEU 57 11.614 0.823 -1.065 434 HD12 LEU 57 HD12 LEU 57 10.136 1.161 -1.954 435 HD13 LEU 57 HD13 LEU 57 10.953 -0.396 -2.158 436 HD21 LEU 57 HD21 LEU 57 8.697 -1.548 -1.459 437 HD22 LEU 57 HD22 LEU 57 7.991 0.057 -1.281 438 HD23 LEU 57 HD23 LEU 57 7.960 -1.067 0.071 439 H GLU 58 HN GLU 58 13.276 -2.987 1.069 440 HA GLU 58 HA GLU 58 15.225 -1.828 -0.589 441 HB2 GLU 58 HB2 GLU 58 16.859 -3.143 0.749 442 HB3 GLU 58 HB1 GLU 58 15.664 -2.348 1.761 443 HG2 GLU 58 HG2 GLU 58 14.462 -4.462 2.064 444 HG3 GLU 58 HG1 GLU 58 15.588 -5.280 0.986 445 H LYS 59 HN LYS 59 13.993 -5.169 -0.422 446 HA LYS 59 HA LYS 59 15.710 -6.297 -2.391 447 HB2 LYS 59 HB2 LYS 59 14.587 -7.690 -0.701 448 HB3 LYS 59 HB1 LYS 59 13.014 -7.237 -1.332 449 HG2 LYS 59 HG2 LYS 59 13.601 -9.496 -2.028 450 HG3 LYS 59 HG1 LYS 59 13.491 -8.435 -3.438 451 HD2 LYS 59 HD2 LYS 59 15.967 -8.248 -3.483 452 HD3 LYS 59 HD1 LYS 59 16.079 -9.298 -2.067 453 HE2 LYS 59 HE2 LYS 59 15.055 -11.140 -3.381 454 HE3 LYS 59 HE1 LYS 59 14.972 -10.077 -4.789 455 HZ1 LYS 59 HZ1 LYS 59 16.883 -11.548 -4.853 456 HZ2 LYS 59 HZ2 LYS 59 17.467 -10.900 -3.406 457 HZ3 LYS 59 HZ3 LYS 59 17.369 -9.929 -4.789 458 H TRP 60 HN TRP 60 12.499 -4.841 -2.475 459 HA TRP 60 HA TRP 60 11.809 -5.563 -5.133 460 HB2 TRP 60 HB2 TRP 60 10.752 -3.345 -3.332 461 HB3 TRP 60 HB1 TRP 60 10.030 -3.799 -4.875 462 HD1 TRP 60 HD1 TRP 60 10.752 -7.080 -3.836 463 HE1 TRP 60 HE1 TRP 60 8.896 -8.147 -2.430 464 HE3 TRP 60 HE3 TRP 60 8.211 -2.857 -2.516 465 HZ2 TRP 60 HZ2 TRP 60 6.660 -7.325 -0.951 466 HZ3 TRP 60 HZ3 TRP 60 6.216 -3.077 -1.095 467 HH2 TRP 60 HH2 TRP 60 5.463 -5.271 -0.341 468 H THR 61 HN THR 61 13.277 -2.683 -3.694 469 HA THR 61 HA THR 61 13.614 -1.085 -5.983 470 HB THR 61 HB THR 61 15.275 -1.264 -3.434 471 HG1 THR 61 HG1 THR 61 13.519 -0.322 -2.707 472 HG21 THR 61 HG21 THR 61 16.134 0.996 -3.963 473 HG22 THR 61 HG22 THR 61 15.329 0.938 -5.530 474 HG23 THR 61 HG23 THR 61 16.647 -0.179 -5.178 475 H GLN 62 HN GLN 62 15.525 -3.754 -4.638 476 HA GLN 62 HA GLN 62 17.854 -3.459 -6.271 477 HB2 GLN 62 HB2 GLN 62 17.961 -4.525 -4.062 478 HB3 GLN 62 HB1 GLN 62 16.772 -5.727 -4.537 479 HG2 GLN 62 HG2 GLN 62 18.937 -6.761 -4.493 480 HG3 GLN 62 HG1 GLN 62 18.404 -6.651 -6.167 481 HE21 GLN 62 HE21 GLN 62 20.524 -6.853 -6.937 482 HE22 GLN 62 HE22 GLN 62 21.688 -5.583 -6.791 483 H GLU 63 HN GLU 63 14.957 -5.569 -6.370 484 HA GLU 63 HA GLU 63 15.552 -7.162 -8.594 485 HB2 GLU 63 HB2 GLU 63 12.833 -6.284 -7.509 486 HB3 GLU 63 HB1 GLU 63 13.045 -7.509 -8.765 487 HG2 GLU 63 HG2 GLU 63 14.351 -8.881 -7.172 488 HG3 GLU 63 HG1 GLU 63 14.056 -7.679 -5.913 489 H VAL 64 HN VAL 64 13.745 -4.121 -8.392 490 HA VAL 64 HA VAL 64 13.162 -3.808 -11.129 491 HB VAL 64 HB VAL 64 13.457 -1.675 -8.974 492 HG11 VAL 64 HG11 VAL 64 12.244 -1.408 -11.766 493 HG12 VAL 64 HG12 VAL 64 13.700 -0.601 -11.178 494 HG13 VAL 64 HG13 VAL 64 12.132 -0.195 -10.489 495 HG21 VAL 64 HG21 VAL 64 10.977 -1.743 -8.894 496 HG22 VAL 64 HG22 VAL 64 11.654 -3.330 -8.522 497 HG23 VAL 64 HG23 VAL 64 10.964 -3.018 -10.120 498 H ASN 65 HN ASN 65 15.976 -2.731 -9.217 499 HA ASN 65 HA ASN 65 17.390 -1.467 -11.327 500 HB2 ASN 65 HB2 ASN 65 18.359 -2.642 -8.690 501 HB3 ASN 65 HB1 ASN 65 19.428 -1.791 -9.803 502 HD21 ASN 65 HD21 ASN 65 18.677 -1.111 -7.067 503 HD22 ASN 65 HD22 ASN 65 18.008 0.475 -7.147 504 H ASP 66 HN ASP 66 17.231 -4.909 -10.319 505 HA ASP 66 HA ASP 66 19.336 -5.735 -12.123 506 HB2 ASP 66 HB2 ASP 66 17.343 -7.299 -10.435 507 HB3 ASP 66 HB1 ASP 66 18.558 -8.074 -11.446 508 H GLY 67 HN GLY 67 16.330 -4.685 -12.866 509 HA2 GLY 67 HA2 GLY 67 14.843 -4.998 -14.568 510 HA3 GLY 67 HA1 GLY 67 16.068 -5.975 -15.363 511 H LYS 68 HN LYS 68 15.141 -7.077 -12.254 512 HA LYS 68 HA LYS 68 13.938 -9.495 -13.223 513 HB2 LYS 68 HB2 LYS 68 14.240 -8.329 -10.426 514 HB3 LYS 68 HB1 LYS 68 13.514 -9.904 -10.740 515 HG2 LYS 68 HG2 LYS 68 15.611 -10.739 -11.658 516 HG3 LYS 68 HG1 LYS 68 16.352 -9.144 -11.496 517 HD2 LYS 68 HD2 LYS 68 17.034 -10.723 -9.688 518 HD3 LYS 68 HD1 LYS 68 16.239 -9.273 -9.069 519 HE2 LYS 68 HE2 LYS 68 15.488 -11.323 -7.894 520 HE3 LYS 68 HE1 LYS 68 14.157 -10.531 -8.725 521 HZ1 LYS 68 HZ1 LYS 68 14.367 -12.160 -10.502 522 HZ2 LYS 68 HZ2 LYS 68 14.083 -12.906 -9.014 523 HZ3 LYS 68 HZ3 LYS 68 15.635 -12.918 -9.682 524 H ALA 69 HN ALA 69 12.770 -6.442 -11.992 525 HA ALA 69 HA ALA 69 10.032 -7.036 -12.835 526 HB1 ALA 69 HB1 ALA 69 9.054 -6.301 -10.681 527 HB2 ALA 69 HB2 ALA 69 10.673 -6.152 -9.990 528 HB3 ALA 69 HB3 ALA 69 10.058 -7.736 -10.458 529 H THR 70 HN THR 70 8.715 -5.043 -12.803 530 HA THR 70 HA THR 70 10.270 -2.560 -13.200 531 HB THR 70 HB THR 70 7.407 -3.216 -14.073 532 HG1 THR 70 HG1 THR 70 9.915 -3.508 -15.293 533 HG21 THR 70 HG21 THR 70 7.564 -1.198 -15.492 534 HG22 THR 70 HG22 THR 70 9.166 -0.848 -14.842 535 HG23 THR 70 HG23 THR 70 7.750 -0.766 -13.791 536 H THR 71 HN THR 71 9.436 -0.609 -12.236 537 HA THR 71 HA THR 71 9.018 -0.617 -9.537 538 HB THR 71 HB THR 71 8.096 1.764 -9.841 539 HG1 THR 71 HG1 THR 71 8.245 2.521 -12.063 540 HG21 THR 71 HG21 THR 71 10.207 2.691 -10.716 541 HG22 THR 71 HG22 THR 71 10.666 1.099 -11.321 542 HG23 THR 71 HG23 THR 71 10.521 1.369 -9.583 543 H GLU 72 HN GLU 72 6.450 -0.327 -12.034 544 HA GLU 72 HA GLU 72 4.221 0.268 -10.600 545 HB2 GLU 72 HB2 GLU 72 4.372 -1.721 -12.897 546 HB3 GLU 72 HB1 GLU 72 2.889 -0.946 -12.333 547 HG2 GLU 72 HG2 GLU 72 3.904 1.274 -12.925 548 HG3 GLU 72 HG1 GLU 72 5.282 0.410 -13.618 549 H GLN 73 HN GLN 73 5.546 -2.978 -10.927 550 HA GLN 73 HA GLN 73 3.484 -4.546 -9.884 551 HB2 GLN 73 HB2 GLN 73 6.485 -5.042 -9.714 552 HB3 GLN 73 HB1 GLN 73 5.233 -6.269 -9.480 553 HG2 GLN 73 HG2 GLN 73 4.494 -5.961 -11.819 554 HG3 GLN 73 HG1 GLN 73 5.748 -4.739 -12.052 555 HE21 GLN 73 HE21 GLN 73 6.664 -5.962 -13.741 556 HE22 GLN 73 HE22 GLN 73 7.582 -7.395 -13.438 557 H TYR 74 HN TYR 74 5.849 -2.626 -8.168 558 HA TYR 74 HA TYR 74 4.757 -3.525 -5.561 559 HB2 TYR 74 HB2 TYR 74 7.521 -2.344 -6.066 560 HB3 TYR 74 HB1 TYR 74 6.946 -3.114 -4.594 561 HD1 TYR 74 HD2 TYR 74 6.018 -5.667 -5.097 562 HD2 TYR 74 HD1 TYR 74 9.051 -3.631 -7.322 563 HE1 TYR 74 HE2 TYR 74 6.916 -7.827 -5.851 564 HE2 TYR 74 HE1 TYR 74 9.943 -5.795 -8.078 565 HH TYR 74 HH TYR 74 9.937 -8.186 -7.255 566 H PHE 75 HN PHE 75 5.129 -0.748 -7.667 567 HA PHE 75 HA PHE 75 4.978 1.157 -5.408 568 HB2 PHE 75 HB2 PHE 75 6.395 1.408 -8.109 569 HB3 PHE 75 HB1 PHE 75 6.124 2.774 -7.038 570 HD1 PHE 75 HD2 PHE 75 7.811 -0.585 -7.150 571 HD2 PHE 75 HD1 PHE 75 7.735 3.304 -5.381 572 HE1 PHE 75 HE2 PHE 75 9.934 -1.063 -6.005 573 HE2 PHE 75 HE1 PHE 75 9.862 2.818 -4.247 574 HZ PHE 75 HZ PHE 75 10.957 0.638 -4.555 575 H VAL 76 HN VAL 76 2.936 -0.203 -7.510 576 HA VAL 76 HA VAL 76 1.346 2.301 -7.817 577 HB VAL 76 HB VAL 76 0.959 -0.423 -9.149 578 HG11 VAL 76 HG11 VAL 76 -1.262 0.460 -8.529 579 HG12 VAL 76 HG12 VAL 76 -1.039 0.517 -10.278 580 HG13 VAL 76 HG13 VAL 76 -0.889 1.997 -9.325 581 HG21 VAL 76 HG21 VAL 76 1.230 0.792 -11.261 582 HG22 VAL 76 HG22 VAL 76 2.641 1.019 -10.226 583 HG23 VAL 76 HG23 VAL 76 1.448 2.307 -10.386 584 H LEU 77 HN LEU 77 -0.588 2.427 -6.723 585 HA LEU 77 HA LEU 77 -0.538 1.441 -4.135 586 HB2 LEU 77 HB2 LEU 77 -2.427 3.093 -5.756 587 HB3 LEU 77 HB1 LEU 77 -3.074 2.425 -4.276 588 HG LEU 77 HG LEU 77 -2.225 4.720 -3.981 589 HD11 LEU 77 HD11 LEU 77 -0.652 2.678 -2.382 590 HD12 LEU 77 HD12 LEU 77 -2.323 3.164 -2.073 591 HD13 LEU 77 HD13 LEU 77 -1.023 4.338 -1.911 592 HD21 LEU 77 HD21 LEU 77 0.183 5.207 -3.968 593 HD22 LEU 77 HD22 LEU 77 -0.374 4.725 -5.569 594 HD23 LEU 77 HD23 LEU 77 0.526 3.578 -4.574 595 H LYS 78 HN LYS 78 -2.409 0.166 -6.862 596 HA LYS 78 HA LYS 78 -4.067 -1.583 -5.284 597 HB2 LYS 78 HB2 LYS 78 -4.631 -2.690 -7.465 598 HB3 LYS 78 HB1 LYS 78 -4.828 -0.941 -7.511 599 HG2 LYS 78 HG2 LYS 78 -2.666 -0.721 -8.683 600 HG3 LYS 78 HG1 LYS 78 -2.451 -2.470 -8.634 601 HD2 LYS 78 HD2 LYS 78 -4.448 -2.749 -10.069 602 HD3 LYS 78 HD1 LYS 78 -4.673 -0.995 -10.106 603 HE2 LYS 78 HE2 LYS 78 -2.505 -0.727 -11.262 604 HE3 LYS 78 HE1 LYS 78 -2.227 -2.467 -11.167 605 HZ1 LYS 78 HZ1 LYS 78 -3.024 -1.876 -13.329 606 HZ2 LYS 78 HZ2 LYS 78 -4.391 -1.123 -12.683 607 HZ3 LYS 78 HZ3 LYS 78 -4.204 -2.798 -12.541 608 H ASN 79 HN ASN 79 -1.041 -2.010 -7.084 609 HA ASN 79 HA ASN 79 -0.748 -4.815 -6.574 610 HB2 ASN 79 HB2 ASN 79 1.268 -2.735 -7.532 611 HB3 ASN 79 HB1 ASN 79 1.585 -4.468 -7.457 612 HD21 ASN 79 HD21 ASN 79 0.047 -1.939 -9.220 613 HD22 ASN 79 HD22 ASN 79 -0.486 -2.902 -10.544 614 H LEU 80 HN LEU 80 0.437 -1.876 -5.129 615 HA LEU 80 HA LEU 80 2.247 -2.857 -3.224 616 HB2 LEU 80 HB2 LEU 80 2.168 -0.482 -3.861 617 HB3 LEU 80 HB1 LEU 80 0.527 -0.337 -3.254 618 HG LEU 80 HG LEU 80 1.413 -0.805 -0.930 619 HD11 LEU 80 HD11 LEU 80 3.486 -1.967 -1.487 620 HD12 LEU 80 HD12 LEU 80 3.812 -0.561 -0.475 621 HD13 LEU 80 HD13 LEU 80 4.145 -0.493 -2.210 622 HD21 LEU 80 HD21 LEU 80 2.512 1.654 -2.323 623 HD22 LEU 80 HD22 LEU 80 2.309 1.458 -0.580 624 HD23 LEU 80 HD23 LEU 80 0.895 1.469 -1.631 625 H ALA 81 HN ALA 81 -1.218 -1.984 -3.014 626 HA ALA 81 HA ALA 81 -1.700 -2.738 -0.348 627 HB1 ALA 81 HB1 ALA 81 -4.084 -2.790 -0.970 628 HB2 ALA 81 HB2 ALA 81 -3.645 -2.778 -2.683 629 HB3 ALA 81 HB3 ALA 81 -3.272 -1.386 -1.670 630 H ALA 82 HN ALA 82 -1.648 -4.652 -3.320 631 HA ALA 82 HA ALA 82 -2.606 -7.104 -2.217 632 HB1 ALA 82 HB1 ALA 82 -0.874 -6.639 -4.674 633 HB2 ALA 82 HB2 ALA 82 -2.639 -6.625 -4.634 634 HB3 ALA 82 HB3 ALA 82 -1.769 -8.119 -4.293 635 H ARG 83 HN ARG 83 0.675 -5.764 -2.709 636 HA ARG 83 HA ARG 83 2.237 -7.923 -1.813 637 HB2 ARG 83 HB2 ARG 83 2.835 -4.951 -1.487 638 HB3 ARG 83 HB1 ARG 83 4.012 -6.244 -1.321 639 HG2 ARG 83 HG2 ARG 83 2.607 -5.427 -3.881 640 HG3 ARG 83 HG1 ARG 83 4.269 -5.056 -3.440 641 HD2 ARG 83 HD2 ARG 83 4.378 -6.867 -4.981 642 HD3 ARG 83 HD1 ARG 83 4.689 -7.565 -3.396 643 HE ARG 83 HE ARG 83 2.691 -8.702 -3.488 644 HH11 ARG 83 HH11 ARG 83 2.915 -6.593 -6.310 645 HH12 ARG 83 HH12 ARG 83 1.601 -7.375 -7.129 646 HH21 ARG 83 HH21 ARG 83 0.953 -9.668 -4.553 647 HH22 ARG 83 HH22 ARG 83 0.493 -9.117 -6.133 648 H ILE 84 HN ILE 84 0.948 -5.163 -0.053 649 HA ILE 84 HA ILE 84 1.954 -5.716 2.512 650 HB ILE 84 HB ILE 84 -0.489 -4.129 1.615 651 HG12 ILE 84 HG12 ILE 84 2.287 -3.111 2.370 652 HG13 ILE 84 HG11 ILE 84 1.789 -3.425 0.716 653 HG21 ILE 84 HG21 ILE 84 0.889 -4.057 4.319 654 HG22 ILE 84 HG22 ILE 84 -0.727 -4.677 3.996 655 HG23 ILE 84 HG23 ILE 84 -0.386 -2.962 3.791 656 HD11 ILE 84 HD11 ILE 84 0.530 -1.406 2.556 657 HD12 ILE 84 HD12 ILE 84 0.094 -1.707 0.871 658 HD13 ILE 84 HD13 ILE 84 1.689 -1.074 1.270 659 H ASP 85 HN ASP 85 -1.248 -6.359 1.056 660 HA ASP 85 HA ASP 85 -2.446 -7.511 3.333 661 HB2 ASP 85 HB2 ASP 85 -3.753 -6.577 1.459 662 HB3 ASP 85 HB1 ASP 85 -3.182 -7.862 0.397 663 H GLU 86 HN GLU 86 -0.690 -9.023 0.605 664 HA GLU 86 HA GLU 86 -1.307 -11.721 1.314 665 HB2 GLU 86 HB2 GLU 86 0.331 -12.445 -0.300 666 HB3 GLU 86 HB1 GLU 86 -0.485 -11.037 -0.977 667 HG2 GLU 86 HG2 GLU 86 1.431 -9.624 -0.398 668 HG3 GLU 86 HG1 GLU 86 2.252 -10.993 0.346 669 H LEU 87 HN LEU 87 1.401 -9.541 2.145 670 HA LEU 87 HA LEU 87 2.853 -11.457 3.683 671 HB2 LEU 87 HB2 LEU 87 2.951 -8.416 3.735 672 HB3 LEU 87 HB1 LEU 87 4.062 -9.452 4.633 673 HG LEU 87 HG LEU 87 3.801 -9.308 1.597 674 HD11 LEU 87 HD11 LEU 87 6.065 -8.368 1.649 675 HD12 LEU 87 HD12 LEU 87 6.054 -8.394 3.416 676 HD13 LEU 87 HD13 LEU 87 4.924 -7.361 2.534 677 HD21 LEU 87 HD21 LEU 87 5.668 -11.037 3.263 678 HD22 LEU 87 HD22 LEU 87 5.730 -10.848 1.507 679 HD23 LEU 87 HD23 LEU 87 4.329 -11.603 2.258 680 H VAL 88 HN VAL 88 0.248 -9.186 4.515 681 HA VAL 88 HA VAL 88 0.283 -9.597 7.346 682 HB VAL 88 HB VAL 88 -2.028 -8.770 5.509 683 HG11 VAL 88 HG11 VAL 88 -1.946 -8.715 8.555 684 HG12 VAL 88 HG12 VAL 88 -2.954 -9.770 7.563 685 HG13 VAL 88 HG13 VAL 88 -3.226 -8.027 7.553 686 HG21 VAL 88 HG21 VAL 88 -0.305 -7.076 7.366 687 HG22 VAL 88 HG22 VAL 88 -1.623 -6.484 6.349 688 HG23 VAL 88 HG23 VAL 88 -0.162 -7.133 5.606 689 H ALA 89 HN ALA 89 -1.361 -11.196 4.654 690 HA ALA 89 HA ALA 89 -2.920 -13.044 6.122 691 HB1 ALA 89 HB1 ALA 89 -3.393 -12.509 3.764 692 HB2 ALA 89 HB2 ALA 89 -3.165 -14.248 3.975 693 HB3 ALA 89 HB3 ALA 89 -1.875 -13.259 3.269 694 H ALA 90 HN ALA 90 0.307 -13.243 4.649 695 HA ALA 90 HA ALA 90 0.834 -15.974 5.099 696 HB1 ALA 90 HB1 ALA 90 3.157 -15.395 4.510 697 HB2 ALA 90 HB2 ALA 90 2.785 -13.675 4.685 698 HB3 ALA 90 HB3 ALA 90 2.014 -14.624 3.409 699 H LYS 91 HN LYS 91 1.604 -13.041 6.996 700 HA LYS 91 HA LYS 91 3.322 -14.399 8.873 701 HB2 LYS 91 HB2 LYS 91 3.472 -12.263 10.054 702 HB3 LYS 91 HB1 LYS 91 3.598 -11.987 8.327 703 HG2 LYS 91 HG2 LYS 91 2.183 -10.256 8.848 704 HG3 LYS 91 HG1 LYS 91 0.995 -11.503 8.527 705 HD2 LYS 91 HD2 LYS 91 0.327 -10.329 10.516 706 HD3 LYS 91 HD1 LYS 91 0.863 -11.941 11.007 707 HE2 LYS 91 HE2 LYS 91 3.010 -11.028 11.746 708 HE3 LYS 91 HE1 LYS 91 2.567 -9.426 11.144 709 HZ1 LYS 91 HZ1 LYS 91 0.716 -9.449 12.741 710 HZ2 LYS 91 HZ2 LYS 91 2.235 -9.505 13.471 711 HZ3 LYS 91 HZ3 LYS 91 1.299 -10.904 13.371 712 H GLY 92 HN GLY 92 -0.100 -13.859 8.581 713 HA2 GLY 92 HA2 GLY 92 -0.674 -14.589 11.377 714 HA3 GLY 92 HA1 GLY 92 -1.836 -14.115 10.144 715 H ALA 93 HN ALA 93 -0.270 -16.084 8.303 716 HA ALA 93 HA ALA 93 -1.984 -18.396 8.859 717 HB1 ALA 93 HB1 ALA 93 -2.033 -17.425 6.608 718 HB2 ALA 93 HB2 ALA 93 -1.432 -19.078 6.550 719 HB3 ALA 93 HB3 ALA 93 -0.306 -17.724 6.416 720 H LEU 94 HN LEU 94 0.994 -17.606 9.909 721 HA LEU 94 HA LEU 94 2.606 -19.865 9.221 722 HB2 LEU 94 HB2 LEU 94 2.864 -17.951 11.576 723 HB3 LEU 94 HB1 LEU 94 4.112 -19.063 11.022 724 HG LEU 94 HG LEU 94 3.026 -16.688 9.438 725 HD11 LEU 94 HD11 LEU 94 4.415 -15.976 11.326 726 HD12 LEU 94 HD12 LEU 94 5.195 -15.645 9.785 727 HD13 LEU 94 HD13 LEU 94 5.733 -17.010 10.766 728 HD21 LEU 94 HD21 LEU 94 5.272 -18.597 8.708 729 HD22 LEU 94 HD22 LEU 94 4.789 -17.159 7.803 730 HD23 LEU 94 HD23 LEU 94 3.682 -18.515 7.950 731 H GLU 95 HN GLU 95 3.474 -21.411 10.820 732 HA GLU 95 HA GLU 95 3.423 -23.013 12.393 733 HB2 GLU 95 HB2 GLU 95 2.807 -21.139 13.983 734 HB3 GLU 95 HB1 GLU 95 1.112 -21.532 13.731 735 HG2 GLU 95 HG2 GLU 95 1.437 -23.740 14.733 736 HG3 GLU 95 HG1 GLU 95 3.163 -23.442 14.912 737 H HIS 96 HN HIS 96 1.269 -22.720 10.034 738 HA HIS 96 HA HIS 96 -0.594 -24.851 10.878 739 HB2 HIS 96 HB2 HIS 96 -0.670 -23.018 8.442 740 HB3 HIS 96 HB1 HIS 96 -1.881 -24.236 8.826 741 HD1 HIS 96 HD1 HIS 96 -2.009 -20.926 8.759 742 HD2 HIS 96 HD2 HIS 96 -2.328 -23.480 12.016 743 HE1 HIS 96 HE1 HIS 96 -3.213 -19.608 10.523 744 HE2 HIS 96 HE2 HIS 96 -3.506 -21.215 12.441 745 H HIS 97 HN HIS 97 0.768 -24.183 7.615 746 HA HIS 97 HA HIS 97 2.148 -26.766 7.548 747 HB2 HIS 97 HB2 HIS 97 -0.226 -26.120 5.752 748 HB3 HIS 97 HB1 HIS 97 0.993 -27.296 5.289 749 HD1 HIS 97 HD1 HIS 97 -2.223 -27.249 6.696 750 HD2 HIS 97 HD2 HIS 97 1.259 -29.324 7.598 751 HE1 HIS 97 HE1 HIS 97 -2.954 -29.223 8.061 752 HE2 HIS 97 HE2 HIS 97 -0.856 -30.564 8.406 753 H HIS 98 HN HIS 98 1.158 -23.943 5.540 754 HA HIS 98 HA HIS 98 3.903 -23.434 4.751 755 HB2 HIS 98 HB2 HIS 98 3.343 -25.175 3.116 756 HB3 HIS 98 HB1 HIS 98 1.862 -24.333 2.679 757 HD1 HIS 98 HD1 HIS 98 2.067 -23.127 0.526 758 HD2 HIS 98 HD2 HIS 98 5.726 -23.355 2.482 759 HE1 HIS 98 HE1 HIS 98 3.705 -21.971 -0.988 760 HE2 HIS 98 HE2 HIS 98 5.930 -22.216 0.166 761 H HIS 99 HN HIS 99 0.531 -22.743 3.753 762 HA HIS 99 HA HIS 99 0.651 -19.941 4.414 763 HB2 HIS 99 HB2 HIS 99 1.977 -20.137 2.193 764 HB3 HIS 99 HB1 HIS 99 0.466 -20.602 1.423 765 HD1 HIS 99 HD1 HIS 99 -0.601 -18.653 0.268 766 HD2 HIS 99 HD2 HIS 99 1.577 -17.442 3.582 767 HE1 HIS 99 HE1 HIS 99 -0.675 -16.146 0.230 768 HE2 HIS 99 HE2 HIS 99 0.852 -15.453 2.103 769 H HIS 100 HN HIS 100 -0.832 -22.216 2.154 770 HA HIS 100 HA HIS 100 -2.776 -23.284 1.960 771 HB2 HIS 100 HB2 HIS 100 -2.604 -23.406 4.510 772 HB3 HIS 100 HB1 HIS 100 -3.740 -22.068 4.567 773 HD1 HIS 100 HD1 HIS 100 -6.155 -22.721 4.630 774 HD2 HIS 100 HD2 HIS 100 -3.758 -25.766 3.128 775 HE1 HIS 100 HE1 HIS 100 -7.682 -24.699 4.337 776 HE2 HIS 100 HE2 HIS 100 -6.171 -26.576 3.607 777 H HIS 101 HN HIS 101 -2.687 -19.888 2.129 778 HA HIS 101 HA HIS 101 -5.040 -19.573 0.486 779 HB2 HIS 101 HB2 HIS 101 -6.033 -19.511 2.765 780 HB3 HIS 101 HB1 HIS 101 -4.908 -18.244 3.243 781 HD1 HIS 101 HD1 HIS 101 -7.651 -18.760 0.643 782 HD2 HIS 101 HD2 HIS 101 -5.947 -15.747 2.942 783 HE1 HIS 101 HE1 HIS 101 -8.964 -16.682 0.121 784 HE2 HIS 101 HE2 HIS 101 -7.787 -14.854 1.369 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -11.135 4.638 6.480 2 H2 MET 1 HT2 MET 1 -9.721 3.809 6.055 3 H3 MET 1 HT3 MET 1 -10.124 4.016 7.675 4 HA MET 1 HA MET 1 -12.015 2.626 7.483 5 HB2 MET 1 HB2 MET 1 -11.137 2.086 4.609 6 HB3 MET 1 HB1 MET 1 -12.585 1.485 5.414 7 HG2 MET 1 HG2 MET 1 -13.202 3.216 3.867 8 HG3 MET 1 HG1 MET 1 -13.450 3.820 5.508 9 HE1 MET 1 HE1 MET 1 -13.549 6.383 4.669 10 HE2 MET 1 HE2 MET 1 -13.376 5.825 3.002 11 HE3 MET 1 HE3 MET 1 -12.326 7.099 3.618 12 H THR 2 HN THR 2 -11.621 0.527 8.224 13 HA THR 2 HA THR 2 -8.872 -0.336 8.444 14 HB THR 2 HB THR 2 -11.364 -1.865 9.345 15 HG1 THR 2 HG1 THR 2 -11.539 -0.177 10.626 16 HG21 THR 2 HG21 THR 2 -9.270 -3.238 9.335 17 HG22 THR 2 HG22 THR 2 -9.812 -2.922 10.985 18 HG23 THR 2 HG23 THR 2 -8.465 -2.006 10.308 19 H SER 3 HN SER 3 -8.373 -0.585 6.242 20 HA SER 3 HA SER 3 -8.631 -3.192 5.125 21 HB2 SER 3 HB2 SER 3 -9.702 -2.297 2.934 22 HB3 SER 3 HB1 SER 3 -10.790 -2.469 4.309 23 HG SER 3 HG SER 3 -10.562 -0.352 2.939 24 H THR 4 HN THR 4 -7.118 -3.428 3.343 25 HA THR 4 HA THR 4 -4.701 -2.356 4.168 26 HB THR 4 HB THR 4 -5.175 -3.671 1.461 27 HG1 THR 4 HG1 THR 4 -4.390 -5.063 3.795 28 HG21 THR 4 HG21 THR 4 -2.837 -4.462 1.745 29 HG22 THR 4 HG22 THR 4 -2.710 -3.556 3.254 30 HG23 THR 4 HG23 THR 4 -2.911 -2.701 1.723 31 H PHE 5 HN PHE 5 -6.259 -1.676 0.960 32 HA PHE 5 HA PHE 5 -4.355 0.219 0.099 33 HB2 PHE 5 HB2 PHE 5 -5.718 -0.660 -1.640 34 HB3 PHE 5 HB1 PHE 5 -7.213 -0.341 -0.767 35 HD1 PHE 5 HD1 PHE 5 -4.341 1.437 -2.443 36 HD2 PHE 5 HD2 PHE 5 -8.455 1.625 -1.253 37 HE1 PHE 5 HE1 PHE 5 -4.587 3.607 -3.569 38 HE2 PHE 5 HE2 PHE 5 -8.683 3.785 -2.397 39 HZ PHE 5 HZ PHE 5 -6.748 4.780 -3.554 40 H ASP 6 HN ASP 6 -7.450 0.677 1.797 41 HA ASP 6 HA ASP 6 -7.619 3.484 1.676 42 HB2 ASP 6 HB2 ASP 6 -8.718 1.526 3.739 43 HB3 ASP 6 HB1 ASP 6 -9.117 3.246 3.725 44 H ARG 7 HN ARG 7 -6.141 1.357 4.089 45 HA ARG 7 HA ARG 7 -5.269 3.361 5.897 46 HB2 ARG 7 HB2 ARG 7 -4.296 0.512 5.443 47 HB3 ARG 7 HB1 ARG 7 -3.678 1.541 6.733 48 HG2 ARG 7 HG2 ARG 7 -6.567 0.666 6.410 49 HG3 ARG 7 HG1 ARG 7 -5.402 -0.021 7.546 50 HD2 ARG 7 HD2 ARG 7 -5.209 2.186 8.667 51 HD3 ARG 7 HD1 ARG 7 -6.388 2.857 7.536 52 HE ARG 7 HE ARG 7 -8.014 1.255 8.473 53 HH11 ARG 7 HH11 ARG 7 -5.226 2.047 10.435 54 HH12 ARG 7 HH12 ARG 7 -6.054 1.787 11.939 55 HH21 ARG 7 HH21 ARG 7 -9.109 0.925 10.434 56 HH22 ARG 7 HH22 ARG 7 -8.269 1.129 11.938 57 H VAL 8 HN VAL 8 -3.730 1.852 3.055 58 HA VAL 8 HA VAL 8 -1.102 2.923 3.482 59 HB VAL 8 HB VAL 8 -2.438 1.728 1.000 60 HG11 VAL 8 HG11 VAL 8 -0.604 3.198 0.248 61 HG12 VAL 8 HG12 VAL 8 -0.131 1.508 0.048 62 HG13 VAL 8 HG13 VAL 8 0.502 2.448 1.402 63 HG21 VAL 8 HG21 VAL 8 -0.417 0.522 2.937 64 HG22 VAL 8 HG22 VAL 8 -1.110 -0.284 1.528 65 HG23 VAL 8 HG23 VAL 8 -2.141 0.145 2.895 66 H ALA 9 HN ALA 9 -3.912 3.901 1.564 67 HA ALA 9 HA ALA 9 -2.787 6.065 0.156 68 HB1 ALA 9 HB1 ALA 9 -5.122 6.739 -0.289 69 HB2 ALA 9 HB2 ALA 9 -5.687 5.607 0.945 70 HB3 ALA 9 HB3 ALA 9 -4.902 5.001 -0.513 71 H THR 10 HN THR 10 -4.496 5.869 3.267 72 HA THR 10 HA THR 10 -4.392 8.603 3.988 73 HB THR 10 HB THR 10 -4.478 6.186 5.857 74 HG1 THR 10 HG1 THR 10 -6.359 5.941 4.943 75 HG21 THR 10 HG21 THR 10 -3.967 8.293 7.063 76 HG22 THR 10 HG22 THR 10 -5.585 7.708 7.452 77 HG23 THR 10 HG23 THR 10 -5.382 9.055 6.331 78 H ILE 11 HN ILE 11 -2.132 5.896 4.674 79 HA ILE 11 HA ILE 11 -0.250 7.274 6.229 80 HB ILE 11 HB ILE 11 0.017 4.843 4.408 81 HG12 ILE 11 HG12 ILE 11 0.094 5.082 7.452 82 HG13 ILE 11 HG11 ILE 11 -1.338 4.652 6.529 83 HG21 ILE 11 HG21 ILE 11 2.220 5.962 6.188 84 HG22 ILE 11 HG22 ILE 11 2.252 5.855 4.425 85 HG23 ILE 11 HG23 ILE 11 2.254 4.383 5.396 86 HD11 ILE 11 HD11 ILE 11 -0.328 2.692 7.523 87 HD12 ILE 11 HD12 ILE 11 1.205 3.031 6.721 88 HD13 ILE 11 HD13 ILE 11 -0.217 2.600 5.766 89 H ILE 12 HN ILE 12 -0.323 6.801 2.672 90 HA ILE 12 HA ILE 12 1.970 8.220 1.967 91 HB ILE 12 HB ILE 12 -0.631 7.758 0.443 92 HG12 ILE 12 HG12 ILE 12 2.102 6.426 0.287 93 HG13 ILE 12 HG11 ILE 12 0.621 5.701 0.894 94 HG21 ILE 12 HG21 ILE 12 1.925 8.946 -0.680 95 HG22 ILE 12 HG22 ILE 12 0.372 9.767 -0.518 96 HG23 ILE 12 HG23 ILE 12 0.541 8.419 -1.640 97 HD11 ILE 12 HD11 ILE 12 1.206 6.469 -1.966 98 HD12 ILE 12 HD12 ILE 12 -0.320 5.796 -1.385 99 HD13 ILE 12 HD13 ILE 12 1.159 4.840 -1.289 100 H ALA 13 HN ALA 13 -1.396 9.342 2.222 101 HA ALA 13 HA ALA 13 -1.160 12.024 1.676 102 HB1 ALA 13 HB1 ALA 13 -3.235 12.316 2.960 103 HB2 ALA 13 HB2 ALA 13 -2.981 10.749 3.739 104 HB3 ALA 13 HB3 ALA 13 -3.299 10.832 2.006 105 H GLU 14 HN GLU 14 -0.840 10.488 4.887 106 HA GLU 14 HA GLU 14 -0.368 12.929 6.277 107 HB2 GLU 14 HB2 GLU 14 -0.121 10.021 7.100 108 HB3 GLU 14 HB1 GLU 14 0.145 11.358 8.217 109 HG2 GLU 14 HG2 GLU 14 -2.450 10.814 6.725 110 HG3 GLU 14 HG1 GLU 14 -2.133 10.384 8.403 111 H THR 15 HN THR 15 1.784 10.505 4.860 112 HA THR 15 HA THR 15 4.148 11.355 6.249 113 HB THR 15 HB THR 15 3.910 9.666 3.710 114 HG1 THR 15 HG1 THR 15 3.209 8.271 5.158 115 HG21 THR 15 HG21 THR 15 6.279 10.032 5.597 116 HG22 THR 15 HG22 THR 15 6.182 10.645 3.946 117 HG23 THR 15 HG23 THR 15 6.211 8.907 4.234 118 H CYS 16 HN CYS 16 2.991 11.751 2.838 119 HA CYS 16 HA CYS 16 5.220 13.504 2.234 120 HB2 CYS 16 HB2 CYS 16 2.955 12.375 0.533 121 HB3 CYS 16 HB1 CYS 16 4.260 13.381 -0.097 122 HG CYS 16 HG CYS 16 5.885 11.456 -0.521 123 H ASP 17 HN ASP 17 2.164 14.083 3.599 124 HA ASP 17 HA ASP 17 0.795 15.826 3.846 125 HB2 ASP 17 HB2 ASP 17 2.907 16.952 4.575 126 HB3 ASP 17 HB1 ASP 17 3.183 17.496 2.927 127 H ILE 18 HN ILE 18 -0.191 14.678 2.010 128 HA ILE 18 HA ILE 18 -0.920 16.544 -0.126 129 HB ILE 18 HB ILE 18 -0.983 14.589 -1.801 130 HG12 ILE 18 HG12 ILE 18 0.894 13.278 0.226 131 HG13 ILE 18 HG11 ILE 18 -0.714 12.706 -0.202 132 HG21 ILE 18 HG21 ILE 18 0.678 16.380 -2.008 133 HG22 ILE 18 HG22 ILE 18 1.359 14.831 -2.501 134 HG23 ILE 18 HG23 ILE 18 1.771 15.514 -0.925 135 HD11 ILE 18 HD11 ILE 18 1.670 12.817 -2.054 136 HD12 ILE 18 HD12 ILE 18 0.058 12.231 -2.473 137 HD13 ILE 18 HD13 ILE 18 1.018 11.382 -1.265 138 HA PRO 19 HA PRO 19 -5.020 15.056 1.009 139 HB2 PRO 19 HB2 PRO 19 -6.401 15.334 -1.378 140 HB3 PRO 19 HB1 PRO 19 -6.012 16.689 -0.314 141 HG2 PRO 19 HG2 PRO 19 -4.575 15.753 -2.794 142 HG3 PRO 19 HG1 PRO 19 -4.979 17.412 -2.299 143 HD2 PRO 19 HD2 PRO 19 -2.488 16.395 -1.956 144 HD3 PRO 19 HD1 PRO 19 -3.192 17.529 -0.782 145 H ARG 20 HN ARG 20 -5.525 12.943 1.329 146 HA ARG 20 HA ARG 20 -4.531 10.725 0.011 147 HB2 ARG 20 HB2 ARG 20 -5.440 10.439 2.214 148 HB3 ARG 20 HB1 ARG 20 -7.017 11.058 1.728 149 HG2 ARG 20 HG2 ARG 20 -7.317 9.043 0.276 150 HG3 ARG 20 HG1 ARG 20 -5.787 8.409 0.879 151 HD2 ARG 20 HD2 ARG 20 -6.684 8.084 3.052 152 HD3 ARG 20 HD1 ARG 20 -8.088 9.097 2.709 153 HE ARG 20 HE ARG 20 -8.171 7.039 0.868 154 HH11 ARG 20 HH11 ARG 20 -8.213 7.108 4.366 155 HH12 ARG 20 HH12 ARG 20 -9.402 5.852 4.472 156 HH21 ARG 20 HH21 ARG 20 -9.687 5.439 1.024 157 HH22 ARG 20 HH22 ARG 20 -10.232 4.890 2.573 158 H GLU 21 HN GLU 21 -7.228 12.701 -0.942 159 HA GLU 21 HA GLU 21 -8.817 10.737 -2.268 160 HB2 GLU 21 HB2 GLU 21 -10.031 12.708 -3.211 161 HB3 GLU 21 HB1 GLU 21 -9.836 12.788 -1.462 162 HG2 GLU 21 HG2 GLU 21 -7.989 14.381 -1.712 163 HG3 GLU 21 HG1 GLU 21 -8.114 14.278 -3.468 164 H THR 22 HN THR 22 -5.988 12.592 -3.257 165 HA THR 22 HA THR 22 -6.421 12.092 -6.109 166 HB THR 22 HB THR 22 -5.431 14.271 -5.313 167 HG1 THR 22 HG1 THR 22 -3.796 12.734 -7.069 168 HG21 THR 22 HG21 THR 22 -3.919 13.435 -3.548 169 HG22 THR 22 HG22 THR 22 -3.049 14.407 -4.731 170 HG23 THR 22 HG23 THR 22 -2.922 12.646 -4.765 171 H ILE 23 HN ILE 23 -5.447 10.102 -3.659 172 HA ILE 23 HA ILE 23 -3.439 8.634 -5.237 173 HB ILE 23 HB ILE 23 -4.267 8.367 -2.300 174 HG12 ILE 23 HG12 ILE 23 -1.718 8.825 -1.930 175 HG13 ILE 23 HG11 ILE 23 -1.712 9.415 -3.583 176 HG21 ILE 23 HG21 ILE 23 -2.252 6.663 -3.806 177 HG22 ILE 23 HG22 ILE 23 -3.815 6.139 -3.166 178 HG23 ILE 23 HG23 ILE 23 -2.531 6.629 -2.064 179 HD11 ILE 23 HD11 ILE 23 -1.858 11.216 -2.029 180 HD12 ILE 23 HD12 ILE 23 -3.288 10.511 -1.278 181 HD13 ILE 23 HD13 ILE 23 -3.364 11.109 -2.937 182 H THR 24 HN THR 24 -4.834 7.688 -6.764 183 HA THR 24 HA THR 24 -7.111 6.041 -5.916 184 HB THR 24 HB THR 24 -7.435 5.623 -8.358 185 HG1 THR 24 HG1 THR 24 -5.897 7.160 -9.649 186 HG21 THR 24 HG21 THR 24 -7.942 7.929 -9.078 187 HG22 THR 24 HG22 THR 24 -6.956 8.573 -7.766 188 HG23 THR 24 HG23 THR 24 -8.438 7.684 -7.403 189 HA PRO 25 HA PRO 25 -4.876 2.142 -5.755 190 HB2 PRO 25 HB2 PRO 25 -6.805 0.819 -7.646 191 HB3 PRO 25 HB1 PRO 25 -6.380 0.395 -5.981 192 HG2 PRO 25 HG2 PRO 25 -8.733 1.532 -6.529 193 HG3 PRO 25 HG1 PRO 25 -7.834 1.980 -5.063 194 HD2 PRO 25 HD2 PRO 25 -8.029 3.475 -7.690 195 HD3 PRO 25 HD1 PRO 25 -8.142 4.099 -6.027 196 H GLU 26 HN GLU 26 -5.447 3.575 -8.895 197 HA GLU 26 HA GLU 26 -3.523 1.798 -10.239 198 HB2 GLU 26 HB2 GLU 26 -4.271 2.839 -12.333 199 HB3 GLU 26 HB1 GLU 26 -5.655 2.238 -11.427 200 HG2 GLU 26 HG2 GLU 26 -6.247 4.472 -10.714 201 HG3 GLU 26 HG1 GLU 26 -4.774 5.139 -11.409 202 H SER 27 HN SER 27 -3.262 4.385 -8.294 203 HA SER 27 HA SER 27 -1.616 6.177 -9.861 204 HB2 SER 27 HB2 SER 27 -2.069 6.038 -6.844 205 HB3 SER 27 HB1 SER 27 -1.158 7.310 -7.668 206 HG SER 27 HG SER 27 -3.757 6.718 -8.512 207 H HIS 28 HN HIS 28 0.466 5.964 -10.240 208 HA HIS 28 HA HIS 28 2.176 4.086 -8.840 209 HB2 HIS 28 HB2 HIS 28 2.314 4.674 -11.344 210 HB3 HIS 28 HB1 HIS 28 3.009 6.224 -10.858 211 HD2 HIS 28 HD2 HIS 28 4.070 2.751 -11.665 212 HE1 HIS 28 HE1 HIS 28 7.283 4.421 -9.516 213 HE2 HIS 28 HE2 HIS 28 6.617 2.671 -11.204 214 H ALA 29 HN ALA 29 3.126 4.702 -6.937 215 HA ALA 29 HA ALA 29 2.965 7.043 -5.591 216 HB1 ALA 29 HB1 ALA 29 5.257 5.059 -5.480 217 HB2 ALA 29 HB2 ALA 29 3.717 4.921 -4.629 218 HB3 ALA 29 HB3 ALA 29 4.831 6.226 -4.218 219 H ILE 30 HN ILE 30 5.378 6.284 -8.083 220 HA ILE 30 HA ILE 30 6.990 8.658 -7.368 221 HB ILE 30 HB ILE 30 7.655 6.358 -9.273 222 HG12 ILE 30 HG12 ILE 30 8.713 6.961 -6.473 223 HG13 ILE 30 HG11 ILE 30 7.648 5.627 -6.903 224 HG21 ILE 30 HG21 ILE 30 9.426 8.672 -8.394 225 HG22 ILE 30 HG22 ILE 30 8.749 8.436 -10.008 226 HG23 ILE 30 HG23 ILE 30 9.939 7.300 -9.376 227 HD11 ILE 30 HD11 ILE 30 9.448 4.664 -8.280 228 HD12 ILE 30 HD12 ILE 30 9.909 4.853 -6.587 229 HD13 ILE 30 HD13 ILE 30 10.510 5.991 -7.795 230 H ASP 31 HN ASP 31 5.459 7.049 -10.167 231 HA ASP 31 HA ASP 31 6.139 9.083 -12.059 232 HB2 ASP 31 HB2 ASP 31 5.794 6.624 -12.583 233 HB3 ASP 31 HB1 ASP 31 4.064 6.856 -12.361 234 H ASP 32 HN ASP 32 3.109 8.258 -10.327 235 HA ASP 32 HA ASP 32 1.633 10.422 -11.667 236 HB2 ASP 32 HB2 ASP 32 0.782 8.166 -9.798 237 HB3 ASP 32 HB1 ASP 32 -0.304 9.505 -10.152 238 H LEU 33 HN LEU 33 2.265 9.369 -8.289 239 HA LEU 33 HA LEU 33 1.171 11.769 -7.159 240 HB2 LEU 33 HB2 LEU 33 2.698 9.497 -5.826 241 HB3 LEU 33 HB1 LEU 33 1.756 10.726 -4.994 242 HG LEU 33 HG LEU 33 0.604 8.658 -6.910 243 HD11 LEU 33 HD11 LEU 33 0.481 8.727 -3.876 244 HD12 LEU 33 HD12 LEU 33 1.407 7.593 -4.866 245 HD13 LEU 33 HD13 LEU 33 -0.353 7.580 -4.927 246 HD21 LEU 33 HD21 LEU 33 -1.610 9.426 -6.114 247 HD22 LEU 33 HD22 LEU 33 -0.725 10.725 -6.905 248 HD23 LEU 33 HD23 LEU 33 -0.831 10.684 -5.146 249 H GLY 34 HN GLY 34 4.249 11.066 -8.391 250 HA2 GLY 34 HA2 GLY 34 6.205 12.265 -8.482 251 HA3 GLY 34 HA1 GLY 34 5.321 13.611 -7.777 252 H ILE 35 HN ILE 35 5.767 10.488 -6.257 253 HA ILE 35 HA ILE 35 7.107 11.731 -3.951 254 HB ILE 35 HB ILE 35 5.876 8.957 -4.364 255 HG12 ILE 35 HG12 ILE 35 4.851 11.314 -2.726 256 HG13 ILE 35 HG11 ILE 35 4.228 10.843 -4.304 257 HG21 ILE 35 HG21 ILE 35 6.141 8.571 -1.953 258 HG22 ILE 35 HG22 ILE 35 6.966 10.123 -1.782 259 HG23 ILE 35 HG23 ILE 35 7.710 8.829 -2.724 260 HD11 ILE 35 HD11 ILE 35 3.503 8.687 -3.328 261 HD12 ILE 35 HD12 ILE 35 2.754 10.092 -2.567 262 HD13 ILE 35 HD13 ILE 35 4.069 9.252 -1.751 263 H ASP 36 HN ASP 36 9.291 11.614 -3.852 264 HA ASP 36 HA ASP 36 10.943 10.070 -5.578 265 HB2 ASP 36 HB2 ASP 36 11.563 12.260 -4.367 266 HB3 ASP 36 HB1 ASP 36 11.769 11.309 -2.903 267 H SER 37 HN SER 37 12.438 8.376 -4.902 268 HA SER 37 HA SER 37 11.222 6.198 -3.637 269 HB2 SER 37 HB2 SER 37 14.184 6.637 -4.205 270 HB3 SER 37 HB1 SER 37 13.399 5.081 -3.900 271 HG SER 37 HG SER 37 12.558 5.099 -5.842 272 H LEU 38 HN LEU 38 13.172 8.813 -2.283 273 HA LEU 38 HA LEU 38 13.864 7.464 0.166 274 HB2 LEU 38 HB2 LEU 38 14.785 9.560 0.928 275 HB3 LEU 38 HB1 LEU 38 15.263 9.281 -0.728 276 HG LEU 38 HG LEU 38 13.231 10.967 -1.258 277 HD11 LEU 38 HD11 LEU 38 12.415 11.217 1.025 278 HD12 LEU 38 HD12 LEU 38 13.006 12.756 0.409 279 HD13 LEU 38 HD13 LEU 38 13.988 11.830 1.550 280 HD21 LEU 38 HD21 LEU 38 14.819 12.856 -1.277 281 HD22 LEU 38 HD22 LEU 38 15.559 11.384 -1.904 282 HD23 LEU 38 HD23 LEU 38 15.940 11.929 -0.269 283 H ASP 39 HN ASP 39 11.346 9.747 -0.858 284 HA ASP 39 HA ASP 39 10.027 10.024 1.654 285 HB2 ASP 39 HB2 ASP 39 9.008 10.381 -1.197 286 HB3 ASP 39 HB1 ASP 39 8.028 10.746 0.219 287 H PHE 40 HN PHE 40 9.782 7.718 -1.019 288 HA PHE 40 HA PHE 40 7.475 6.338 -0.068 289 HB2 PHE 40 HB2 PHE 40 8.306 6.289 -2.476 290 HB3 PHE 40 HB1 PHE 40 9.606 5.221 -1.948 291 HD1 PHE 40 HD1 PHE 40 5.909 5.526 -2.286 292 HD2 PHE 40 HD2 PHE 40 9.172 2.855 -1.550 293 HE1 PHE 40 HE1 PHE 40 4.397 3.604 -2.497 294 HE2 PHE 40 HE2 PHE 40 7.645 0.941 -1.786 295 HZ PHE 40 HZ PHE 40 5.260 1.311 -2.259 296 H LEU 41 HN LEU 41 10.960 6.058 0.612 297 HA LEU 41 HA LEU 41 10.960 3.566 1.970 298 HB2 LEU 41 HB2 LEU 41 12.658 6.038 2.475 299 HB3 LEU 41 HB1 LEU 41 12.941 4.492 3.255 300 HG LEU 41 HG LEU 41 13.160 5.023 0.272 301 HD11 LEU 41 HD11 LEU 41 15.566 4.724 0.570 302 HD12 LEU 41 HD12 LEU 41 15.346 4.536 2.312 303 HD13 LEU 41 HD13 LEU 41 14.973 6.080 1.537 304 HD21 LEU 41 HD21 LEU 41 13.746 2.483 1.827 305 HD22 LEU 41 HD22 LEU 41 14.090 2.744 0.113 306 HD23 LEU 41 HD23 LEU 41 12.420 2.728 0.679 307 H ASP 42 HN ASP 42 10.196 6.859 3.049 308 HA ASP 42 HA ASP 42 9.769 6.239 5.826 309 HB2 ASP 42 HB2 ASP 42 8.849 8.638 4.178 310 HB3 ASP 42 HB1 ASP 42 8.737 8.531 5.937 311 H ILE 43 HN ILE 43 7.644 6.592 2.996 312 HA ILE 43 HA ILE 43 5.148 6.154 4.240 313 HB ILE 43 HB ILE 43 6.059 5.460 1.409 314 HG12 ILE 43 HG12 ILE 43 4.442 7.841 2.432 315 HG13 ILE 43 HG11 ILE 43 6.134 7.894 1.949 316 HG21 ILE 43 HG21 ILE 43 4.111 4.072 1.960 317 HG22 ILE 43 HG22 ILE 43 3.660 5.309 0.789 318 HG23 ILE 43 HG23 ILE 43 3.211 5.503 2.485 319 HD11 ILE 43 HD11 ILE 43 3.785 7.301 0.158 320 HD12 ILE 43 HD12 ILE 43 5.474 7.324 -0.349 321 HD13 ILE 43 HD13 ILE 43 4.705 8.801 0.227 322 H ALA 44 HN ALA 44 7.543 3.902 2.894 323 HA ALA 44 HA ALA 44 5.932 1.547 3.087 324 HB1 ALA 44 HB1 ALA 44 7.696 1.761 1.376 325 HB2 ALA 44 HB2 ALA 44 7.986 0.356 2.401 326 HB3 ALA 44 HB3 ALA 44 8.933 1.832 2.635 327 H PHE 45 HN PHE 45 8.474 3.070 5.020 328 HA PHE 45 HA PHE 45 8.742 1.083 7.019 329 HB2 PHE 45 HB2 PHE 45 10.349 2.988 6.529 330 HB3 PHE 45 HB1 PHE 45 9.222 4.086 7.314 331 HD1 PHE 45 HD1 PHE 45 11.092 0.891 7.981 332 HD2 PHE 45 HD2 PHE 45 9.550 4.532 9.613 333 HE1 PHE 45 HE1 PHE 45 12.177 0.396 10.130 334 HE2 PHE 45 HE2 PHE 45 10.651 4.031 11.752 335 HZ PHE 45 HZ PHE 45 11.964 1.964 12.012 336 H ALA 46 HN ALA 46 6.575 3.876 6.683 337 HA ALA 46 HA ALA 46 5.380 3.697 9.282 338 HB1 ALA 46 HB1 ALA 46 3.679 5.243 8.385 339 HB2 ALA 46 HB2 ALA 46 4.309 4.982 6.752 340 HB3 ALA 46 HB3 ALA 46 5.317 5.770 7.969 341 H ILE 47 HN ILE 47 4.601 2.330 6.112 342 HA ILE 47 HA ILE 47 2.170 0.989 6.743 343 HB ILE 47 HB ILE 47 4.305 0.434 4.637 344 HG12 ILE 47 HG12 ILE 47 1.537 1.670 4.295 345 HG13 ILE 47 HG11 ILE 47 3.029 2.598 4.418 346 HG21 ILE 47 HG21 ILE 47 1.562 -0.874 4.812 347 HG22 ILE 47 HG22 ILE 47 3.116 -1.664 5.086 348 HG23 ILE 47 HG23 ILE 47 2.719 -1.044 3.491 349 HD11 ILE 47 HD11 ILE 47 2.357 0.625 2.231 350 HD12 ILE 47 HD12 ILE 47 3.840 1.582 2.341 351 HD13 ILE 47 HD13 ILE 47 2.284 2.380 2.115 352 H ASP 48 HN ASP 48 5.540 0.018 6.712 353 HA ASP 48 HA ASP 48 5.504 -2.675 7.320 354 HB2 ASP 48 HB2 ASP 48 7.469 -1.267 6.644 355 HB3 ASP 48 HB1 ASP 48 7.472 -0.524 8.230 356 H LYS 49 HN LYS 49 5.715 0.071 9.540 357 HA LYS 49 HA LYS 49 5.588 -1.392 11.976 358 HB2 LYS 49 HB2 LYS 49 5.059 1.545 11.377 359 HB3 LYS 49 HB1 LYS 49 5.220 0.872 13.000 360 HG2 LYS 49 HG2 LYS 49 7.556 0.228 12.505 361 HG3 LYS 49 HG1 LYS 49 7.377 0.866 10.868 362 HD2 LYS 49 HD2 LYS 49 8.556 2.459 12.334 363 HD3 LYS 49 HD1 LYS 49 7.031 3.133 11.752 364 HE2 LYS 49 HE2 LYS 49 5.967 2.567 13.933 365 HE3 LYS 49 HE1 LYS 49 7.504 1.914 14.508 366 HZ1 LYS 49 HZ1 LYS 49 7.098 4.161 15.278 367 HZ2 LYS 49 HZ2 LYS 49 7.027 4.723 13.687 368 HZ3 LYS 49 HZ3 LYS 49 8.471 4.096 14.302 369 H ALA 50 HN ALA 50 3.101 0.434 10.144 370 HA ALA 50 HA ALA 50 1.025 0.314 12.043 371 HB1 ALA 50 HB1 ALA 50 1.058 1.904 10.158 372 HB2 ALA 50 HB2 ALA 50 -0.458 1.003 10.212 373 HB3 ALA 50 HB3 ALA 50 0.785 0.578 9.027 374 H PHE 51 HN PHE 51 1.695 -1.784 9.255 375 HA PHE 51 HA PHE 51 -0.534 -3.571 9.844 376 HB2 PHE 51 HB2 PHE 51 1.524 -3.498 7.600 377 HB3 PHE 51 HB1 PHE 51 0.337 -4.787 7.760 378 HD1 PHE 51 HD2 PHE 51 0.775 -1.181 6.990 379 HD2 PHE 51 HD1 PHE 51 -2.001 -4.431 7.203 380 HE1 PHE 51 HE2 PHE 51 -0.864 0.131 5.709 381 HE2 PHE 51 HE1 PHE 51 -3.639 -3.113 5.922 382 HZ PHE 51 HZ PHE 51 -3.068 -0.833 5.170 383 H GLY 52 HN GLY 52 2.630 -3.259 10.939 384 HA2 GLY 52 HA2 GLY 52 3.912 -4.551 12.336 385 HA3 GLY 52 HA1 GLY 52 2.521 -5.614 12.507 386 H ILE 53 HN ILE 53 4.119 -4.900 9.483 387 HA ILE 53 HA ILE 53 5.016 -7.720 9.198 388 HB ILE 53 HB ILE 53 4.549 -7.486 6.741 389 HG12 ILE 53 HG12 ILE 53 3.103 -4.888 7.456 390 HG13 ILE 53 HG11 ILE 53 4.681 -4.934 6.687 391 HG21 ILE 53 HG21 ILE 53 2.103 -7.010 8.488 392 HG22 ILE 53 HG22 ILE 53 2.872 -8.568 8.179 393 HG23 ILE 53 HG23 ILE 53 2.091 -7.696 6.859 394 HD11 ILE 53 HD11 ILE 53 2.102 -5.983 5.547 395 HD12 ILE 53 HD12 ILE 53 3.680 -6.061 4.757 396 HD13 ILE 53 HD13 ILE 53 2.933 -4.498 5.089 397 H LYS 54 HN LYS 54 6.900 -7.998 7.798 398 HA LYS 54 HA LYS 54 8.474 -5.549 7.375 399 HB2 LYS 54 HB2 LYS 54 10.402 -7.004 6.869 400 HB3 LYS 54 HB1 LYS 54 9.743 -7.308 8.457 401 HG2 LYS 54 HG2 LYS 54 10.255 -9.448 7.745 402 HG3 LYS 54 HG1 LYS 54 8.545 -9.339 7.333 403 HD2 LYS 54 HD2 LYS 54 9.953 -10.413 5.559 404 HD3 LYS 54 HD1 LYS 54 9.067 -9.005 4.985 405 HE2 LYS 54 HE2 LYS 54 11.384 -9.081 4.106 406 HE3 LYS 54 HE1 LYS 54 11.103 -7.649 5.093 407 HZ1 LYS 54 HZ1 LYS 54 12.228 -8.755 6.932 408 HZ2 LYS 54 HZ2 LYS 54 13.234 -8.650 5.580 409 HZ3 LYS 54 HZ3 LYS 54 12.498 -10.118 5.973 410 H LEU 55 HN LEU 55 8.321 -4.548 5.498 411 HA LEU 55 HA LEU 55 7.194 -5.820 3.151 412 HB2 LEU 55 HB2 LEU 55 8.446 -3.083 3.589 413 HB3 LEU 55 HB1 LEU 55 7.886 -3.622 2.012 414 HG LEU 55 HG LEU 55 6.142 -3.195 4.486 415 HD11 LEU 55 HD11 LEU 55 6.219 -1.668 1.863 416 HD12 LEU 55 HD12 LEU 55 6.818 -1.099 3.424 417 HD13 LEU 55 HD13 LEU 55 5.099 -1.397 3.203 418 HD21 LEU 55 HD21 LEU 55 4.211 -3.709 3.035 419 HD22 LEU 55 HD22 LEU 55 5.277 -5.096 3.220 420 HD23 LEU 55 HD23 LEU 55 5.311 -4.158 1.726 421 HA PRO 56 HA PRO 56 11.295 -7.116 1.572 422 HB2 PRO 56 HB2 PRO 56 9.970 -7.954 -0.918 423 HB3 PRO 56 HB1 PRO 56 10.663 -8.963 0.355 424 HG2 PRO 56 HG2 PRO 56 7.970 -8.827 -0.146 425 HG3 PRO 56 HG1 PRO 56 8.648 -9.202 1.451 426 HD2 PRO 56 HD2 PRO 56 7.595 -6.560 0.423 427 HD3 PRO 56 HD1 PRO 56 7.332 -7.351 1.992 428 H LEU 57 HN LEU 57 10.662 -4.366 1.457 429 HA LEU 57 HA LEU 57 10.468 -3.134 -1.065 430 HB2 LEU 57 HB2 LEU 57 10.234 -2.155 1.343 431 HB3 LEU 57 HB1 LEU 57 11.975 -1.984 1.340 432 HG LEU 57 HG LEU 57 10.746 0.141 0.884 433 HD11 LEU 57 HD11 LEU 57 12.057 0.952 -0.993 434 HD12 LEU 57 HD12 LEU 57 12.445 -0.704 -1.473 435 HD13 LEU 57 HD13 LEU 57 13.036 -0.067 0.063 436 HD21 LEU 57 HD21 LEU 57 9.861 -1.166 -1.703 437 HD22 LEU 57 HD22 LEU 57 9.597 0.517 -1.238 438 HD23 LEU 57 HD23 LEU 57 8.827 -0.776 -0.324 439 H GLU 58 HN GLU 58 13.250 -4.215 0.813 440 HA GLU 58 HA GLU 58 15.415 -3.418 -0.726 441 HB2 GLU 58 HB2 GLU 58 16.597 -5.400 0.314 442 HB3 GLU 58 HB1 GLU 58 15.707 -4.419 1.470 443 HG2 GLU 58 HG2 GLU 58 13.817 -6.108 1.306 444 HG3 GLU 58 HG1 GLU 58 14.909 -7.132 0.379 445 H LYS 59 HN LYS 59 13.500 -6.420 -0.998 446 HA LYS 59 HA LYS 59 14.900 -7.611 -3.142 447 HB2 LYS 59 HB2 LYS 59 13.471 -8.841 -1.517 448 HB3 LYS 59 HB1 LYS 59 12.049 -8.029 -2.152 449 HG2 LYS 59 HG2 LYS 59 12.074 -10.240 -3.044 450 HG3 LYS 59 HG1 LYS 59 12.474 -9.139 -4.370 451 HD2 LYS 59 HD2 LYS 59 14.887 -9.691 -4.082 452 HD3 LYS 59 HD1 LYS 59 14.472 -10.786 -2.755 453 HE2 LYS 59 HE2 LYS 59 13.032 -12.061 -4.430 454 HE3 LYS 59 HE1 LYS 59 13.788 -11.082 -5.694 455 HZ1 LYS 59 HZ1 LYS 59 15.176 -12.887 -3.794 456 HZ2 LYS 59 HZ2 LYS 59 15.941 -11.916 -4.951 457 HZ3 LYS 59 HZ3 LYS 59 14.910 -13.162 -5.441 458 H TRP 60 HN TRP 60 12.020 -5.581 -2.965 459 HA TRP 60 HA TRP 60 11.050 -5.792 -5.597 460 HB2 TRP 60 HB2 TRP 60 10.829 -3.491 -3.608 461 HB3 TRP 60 HB1 TRP 60 9.872 -3.627 -5.080 462 HD1 TRP 60 HD1 TRP 60 9.776 -7.050 -4.026 463 HE1 TRP 60 HE1 TRP 60 7.758 -7.550 -2.528 464 HE3 TRP 60 HE3 TRP 60 8.471 -2.268 -2.731 465 HZ2 TRP 60 HZ2 TRP 60 5.858 -6.153 -1.018 466 HZ3 TRP 60 HZ3 TRP 60 6.530 -1.946 -1.248 467 HH2 TRP 60 HH2 TRP 60 5.254 -3.850 -0.409 468 H THR 61 HN THR 61 13.243 -3.472 -4.084 469 HA THR 61 HA THR 61 13.789 -1.835 -6.314 470 HB THR 61 HB THR 61 15.484 -2.385 -3.839 471 HG1 THR 61 HG1 THR 61 13.340 -1.493 -3.487 472 HG21 THR 61 HG21 THR 61 15.664 -0.075 -5.818 473 HG22 THR 61 HG22 THR 61 16.868 -1.351 -5.602 474 HG23 THR 61 HG23 THR 61 16.557 -0.201 -4.302 475 H GLN 62 HN GLN 62 15.310 -4.867 -5.131 476 HA GLN 62 HA GLN 62 17.596 -4.850 -6.814 477 HB2 GLN 62 HB2 GLN 62 16.119 -7.123 -5.425 478 HB3 GLN 62 HB1 GLN 62 17.653 -7.327 -6.270 479 HG2 GLN 62 HG2 GLN 62 18.789 -5.908 -4.694 480 HG3 GLN 62 HG1 GLN 62 17.269 -5.450 -3.935 481 HE21 GLN 62 HE21 GLN 62 18.092 -8.750 -4.881 482 HE22 GLN 62 HE22 GLN 62 18.193 -9.371 -3.272 483 H GLU 63 HN GLU 63 14.323 -6.255 -7.125 484 HA GLU 63 HA GLU 63 14.562 -7.628 -9.528 485 HB2 GLU 63 HB2 GLU 63 12.170 -6.027 -8.551 486 HB3 GLU 63 HB1 GLU 63 12.120 -7.228 -9.845 487 HG2 GLU 63 HG2 GLU 63 12.740 -7.736 -6.923 488 HG3 GLU 63 HG1 GLU 63 11.243 -8.133 -7.757 489 H VAL 64 HN VAL 64 13.740 -4.201 -9.005 490 HA VAL 64 HA VAL 64 13.410 -3.547 -11.765 491 HB VAL 64 HB VAL 64 14.134 -1.594 -9.546 492 HG11 VAL 64 HG11 VAL 64 12.702 -1.190 -12.202 493 HG12 VAL 64 HG12 VAL 64 14.330 -0.627 -11.793 494 HG13 VAL 64 HG13 VAL 64 12.922 0.054 -10.970 495 HG21 VAL 64 HG21 VAL 64 11.360 -2.550 -10.372 496 HG22 VAL 64 HG22 VAL 64 11.702 -1.259 -9.213 497 HG23 VAL 64 HG23 VAL 64 12.177 -2.918 -8.847 498 H ASN 65 HN ASN 65 16.164 -3.251 -9.524 499 HA ASN 65 HA ASN 65 18.070 -2.066 -11.194 500 HB2 ASN 65 HB2 ASN 65 18.429 -3.965 -8.839 501 HB3 ASN 65 HB1 ASN 65 19.791 -3.186 -9.646 502 HD21 ASN 65 HD21 ASN 65 18.843 -2.954 -6.885 503 HD22 ASN 65 HD22 ASN 65 18.564 -1.269 -6.626 504 H ASP 66 HN ASP 66 17.400 -5.582 -10.729 505 HA ASP 66 HA ASP 66 19.322 -6.378 -12.716 506 HB2 ASP 66 HB2 ASP 66 17.196 -7.962 -11.209 507 HB3 ASP 66 HB1 ASP 66 18.374 -8.684 -12.299 508 H GLY 67 HN GLY 67 16.539 -4.796 -13.294 509 HA2 GLY 67 HA2 GLY 67 15.106 -4.611 -15.035 510 HA3 GLY 67 HA1 GLY 67 16.234 -5.593 -15.950 511 H LYS 68 HN LYS 68 14.817 -6.967 -13.115 512 HA LYS 68 HA LYS 68 13.455 -9.069 -14.573 513 HB2 LYS 68 HB2 LYS 68 13.540 -8.444 -11.578 514 HB3 LYS 68 HB1 LYS 68 12.854 -9.912 -12.283 515 HG2 LYS 68 HG2 LYS 68 15.091 -10.542 -13.136 516 HG3 LYS 68 HG1 LYS 68 15.766 -9.062 -12.433 517 HD2 LYS 68 HD2 LYS 68 15.135 -9.831 -10.169 518 HD3 LYS 68 HD1 LYS 68 14.411 -11.291 -10.856 519 HE2 LYS 68 HE2 LYS 68 16.653 -11.961 -11.710 520 HE3 LYS 68 HE1 LYS 68 17.354 -10.534 -10.939 521 HZ1 LYS 68 HZ1 LYS 68 17.606 -12.527 -9.606 522 HZ2 LYS 68 HZ2 LYS 68 15.928 -12.722 -9.536 523 HZ3 LYS 68 HZ3 LYS 68 16.656 -11.378 -8.810 524 H ALA 69 HN ALA 69 12.391 -6.770 -12.048 525 HA ALA 69 HA ALA 69 9.759 -6.494 -13.352 526 HB1 ALA 69 HB1 ALA 69 8.980 -5.601 -11.199 527 HB2 ALA 69 HB2 ALA 69 10.617 -5.685 -10.543 528 HB3 ALA 69 HB3 ALA 69 9.762 -7.167 -10.964 529 H THR 70 HN THR 70 8.807 -4.368 -13.092 530 HA THR 70 HA THR 70 10.637 -2.077 -13.572 531 HB THR 70 HB THR 70 8.612 -0.933 -14.564 532 HG1 THR 70 HG1 THR 70 7.435 -3.509 -14.180 533 HG21 THR 70 HG21 THR 70 9.292 -3.601 -15.875 534 HG22 THR 70 HG22 THR 70 10.200 -2.096 -16.072 535 HG23 THR 70 HG23 THR 70 8.546 -2.220 -16.683 536 H THR 71 HN THR 71 9.572 0.047 -12.671 537 HA THR 71 HA THR 71 9.453 -0.212 -9.852 538 HB THR 71 HB THR 71 8.774 2.226 -9.827 539 HG1 THR 71 HG1 THR 71 9.228 2.877 -12.332 540 HG21 THR 71 HG21 THR 71 10.904 3.074 -10.775 541 HG22 THR 71 HG22 THR 71 11.148 1.534 -11.604 542 HG23 THR 71 HG23 THR 71 11.164 1.593 -9.841 543 H GLU 72 HN GLU 72 6.878 0.384 -12.269 544 HA GLU 72 HA GLU 72 4.729 0.884 -10.599 545 HB2 GLU 72 HB2 GLU 72 3.260 0.248 -12.460 546 HB3 GLU 72 HB1 GLU 72 4.621 1.200 -13.033 547 HG2 GLU 72 HG2 GLU 72 5.699 -0.766 -13.954 548 HG3 GLU 72 HG1 GLU 72 4.497 -1.830 -13.230 549 H GLN 73 HN GLN 73 6.082 -2.205 -11.514 550 HA GLN 73 HA GLN 73 4.047 -3.951 -10.841 551 HB2 GLN 73 HB2 GLN 73 6.395 -4.254 -12.057 552 HB3 GLN 73 HB1 GLN 73 6.948 -4.733 -10.464 553 HG2 GLN 73 HG2 GLN 73 4.544 -6.073 -11.687 554 HG3 GLN 73 HG1 GLN 73 6.159 -6.532 -12.215 555 HE21 GLN 73 HE21 GLN 73 7.511 -7.618 -10.787 556 HE22 GLN 73 HE22 GLN 73 6.918 -8.393 -9.361 557 H TYR 74 HN TYR 74 6.289 -2.285 -8.698 558 HA TYR 74 HA TYR 74 4.878 -3.477 -6.370 559 HB2 TYR 74 HB2 TYR 74 7.838 -2.774 -6.589 560 HB3 TYR 74 HB1 TYR 74 7.037 -3.226 -5.088 561 HD1 TYR 74 HD2 TYR 74 5.619 -5.506 -5.251 562 HD2 TYR 74 HD1 TYR 74 8.960 -4.529 -7.742 563 HE1 TYR 74 HE2 TYR 74 5.960 -7.889 -5.713 564 HE2 TYR 74 HE1 TYR 74 9.295 -6.921 -8.215 565 HH TYR 74 HH TYR 74 8.760 -9.106 -7.216 566 H PHE 75 HN PHE 75 5.381 -0.568 -8.019 567 HA PHE 75 HA PHE 75 5.149 1.071 -5.559 568 HB2 PHE 75 HB2 PHE 75 6.540 1.688 -8.194 569 HB3 PHE 75 HB1 PHE 75 6.143 2.939 -7.026 570 HD1 PHE 75 HD2 PHE 75 8.053 -0.308 -7.295 571 HD2 PHE 75 HD1 PHE 75 7.729 3.495 -5.361 572 HE1 PHE 75 HE2 PHE 75 10.182 -0.706 -6.142 573 HE2 PHE 75 HE1 PHE 75 9.869 3.079 -4.217 574 HZ PHE 75 HZ PHE 75 11.093 0.980 -4.604 575 H VAL 76 HN VAL 76 3.114 -0.201 -7.636 576 HA VAL 76 HA VAL 76 1.440 2.253 -7.848 577 HB VAL 76 HB VAL 76 1.095 -0.480 -9.191 578 HG11 VAL 76 HG11 VAL 76 -1.145 0.287 -8.494 579 HG12 VAL 76 HG12 VAL 76 -0.974 0.422 -10.243 580 HG13 VAL 76 HG13 VAL 76 -0.858 1.868 -9.238 581 HG21 VAL 76 HG21 VAL 76 1.229 0.808 -11.292 582 HG22 VAL 76 HG22 VAL 76 2.684 1.033 -10.311 583 HG23 VAL 76 HG23 VAL 76 1.456 2.299 -10.373 584 H LEU 77 HN LEU 77 -0.497 2.309 -6.742 585 HA LEU 77 HA LEU 77 -0.455 1.416 -4.125 586 HB2 LEU 77 HB2 LEU 77 -2.422 2.834 -5.871 587 HB3 LEU 77 HB1 LEU 77 -3.092 2.126 -4.414 588 HG LEU 77 HG LEU 77 -2.507 4.478 -4.092 589 HD11 LEU 77 HD11 LEU 77 -1.291 4.259 -1.996 590 HD12 LEU 77 HD12 LEU 77 -0.774 2.628 -2.432 591 HD13 LEU 77 HD13 LEU 77 -2.488 2.977 -2.174 592 HD21 LEU 77 HD21 LEU 77 0.390 3.692 -4.594 593 HD22 LEU 77 HD22 LEU 77 -0.190 5.265 -4.043 594 HD23 LEU 77 HD23 LEU 77 -0.619 4.688 -5.647 595 H LYS 78 HN LYS 78 -2.327 0.009 -6.815 596 HA LYS 78 HA LYS 78 -3.855 -1.801 -5.198 597 HB2 LYS 78 HB2 LYS 78 -4.448 -2.909 -7.368 598 HB3 LYS 78 HB1 LYS 78 -4.686 -1.164 -7.404 599 HG2 LYS 78 HG2 LYS 78 -2.616 -0.859 -8.646 600 HG3 LYS 78 HG1 LYS 78 -2.257 -2.580 -8.533 601 HD2 LYS 78 HD2 LYS 78 -4.262 -3.066 -9.919 602 HD3 LYS 78 HD1 LYS 78 -4.572 -1.330 -10.060 603 HE2 LYS 78 HE2 LYS 78 -2.436 -1.012 -11.255 604 HE3 LYS 78 HE1 LYS 78 -2.025 -2.712 -11.014 605 HZ1 LYS 78 HZ1 LYS 78 -4.313 -1.703 -12.606 606 HZ2 LYS 78 HZ2 LYS 78 -3.909 -3.331 -12.380 607 HZ3 LYS 78 HZ3 LYS 78 -2.861 -2.308 -13.221 608 H ASN 79 HN ASN 79 -0.816 -2.096 -6.991 609 HA ASN 79 HA ASN 79 -0.355 -4.887 -6.622 610 HB2 ASN 79 HB2 ASN 79 1.630 -2.628 -7.193 611 HB3 ASN 79 HB1 ASN 79 2.011 -4.347 -7.282 612 HD21 ASN 79 HD21 ASN 79 2.510 -4.411 -9.423 613 HD22 ASN 79 HD22 ASN 79 1.400 -4.082 -10.701 614 H LEU 80 HN LEU 80 0.764 -1.984 -5.003 615 HA LEU 80 HA LEU 80 2.468 -3.027 -3.053 616 HB2 LEU 80 HB2 LEU 80 2.360 -0.641 -3.695 617 HB3 LEU 80 HB1 LEU 80 0.742 -0.512 -3.030 618 HG LEU 80 HG LEU 80 1.646 -0.851 -0.742 619 HD11 LEU 80 HD11 LEU 80 4.071 -0.821 -0.311 620 HD12 LEU 80 HD12 LEU 80 4.384 -0.910 -2.049 621 HD13 LEU 80 HD13 LEU 80 3.580 -2.249 -1.223 622 HD21 LEU 80 HD21 LEU 80 1.401 1.441 -1.589 623 HD22 LEU 80 HD22 LEU 80 3.046 1.396 -2.233 624 HD23 LEU 80 HD23 LEU 80 2.777 1.314 -0.488 625 H ALA 81 HN ALA 81 -1.003 -2.198 -2.883 626 HA ALA 81 HA ALA 81 -1.451 -2.950 -0.187 627 HB1 ALA 81 HB1 ALA 81 -3.453 -2.771 -2.470 628 HB2 ALA 81 HB2 ALA 81 -2.950 -1.436 -1.430 629 HB3 ALA 81 HB3 ALA 81 -3.843 -2.795 -0.746 630 H ALA 82 HN ALA 82 -1.610 -4.796 -3.213 631 HA ALA 82 HA ALA 82 -2.775 -7.178 -2.235 632 HB1 ALA 82 HB1 ALA 82 -1.754 -8.268 -4.200 633 HB2 ALA 82 HB2 ALA 82 -0.745 -6.842 -4.471 634 HB3 ALA 82 HB3 ALA 82 -2.498 -6.725 -4.637 635 H ARG 83 HN ARG 83 0.642 -6.230 -2.606 636 HA ARG 83 HA ARG 83 1.918 -8.497 -1.585 637 HB2 ARG 83 HB2 ARG 83 2.793 -5.587 -1.446 638 HB3 ARG 83 HB1 ARG 83 3.851 -6.956 -1.131 639 HG2 ARG 83 HG2 ARG 83 2.506 -6.369 -3.786 640 HG3 ARG 83 HG1 ARG 83 4.167 -5.957 -3.371 641 HD2 ARG 83 HD2 ARG 83 4.391 -7.928 -4.623 642 HD3 ARG 83 HD1 ARG 83 4.492 -8.503 -2.962 643 HE ARG 83 HE ARG 83 2.203 -9.308 -3.170 644 HH11 ARG 83 HH11 ARG 83 3.709 -8.443 -6.216 645 HH12 ARG 83 HH12 ARG 83 2.749 -9.547 -7.141 646 HH21 ARG 83 HH21 ARG 83 0.940 -10.735 -4.408 647 HH22 ARG 83 HH22 ARG 83 1.189 -10.843 -6.123 648 H ILE 84 HN ILE 84 0.865 -5.572 0.104 649 HA ILE 84 HA ILE 84 1.982 -6.053 2.658 650 HB ILE 84 HB ILE 84 -0.381 -4.354 1.761 651 HG12 ILE 84 HG12 ILE 84 2.438 -3.449 2.487 652 HG13 ILE 84 HG11 ILE 84 1.949 -3.826 0.838 653 HG21 ILE 84 HG21 ILE 84 1.024 -4.247 4.455 654 HG22 ILE 84 HG22 ILE 84 -0.630 -4.794 4.174 655 HG23 ILE 84 HG23 ILE 84 -0.194 -3.109 3.889 656 HD11 ILE 84 HD11 ILE 84 0.735 -1.679 2.568 657 HD12 ILE 84 HD12 ILE 84 0.317 -2.036 0.889 658 HD13 ILE 84 HD13 ILE 84 1.927 -1.440 1.294 659 H ASP 85 HN ASP 85 -1.343 -6.531 1.434 660 HA ASP 85 HA ASP 85 -2.530 -7.531 3.782 661 HB2 ASP 85 HB2 ASP 85 -3.833 -6.659 1.895 662 HB3 ASP 85 HB1 ASP 85 -3.272 -7.965 0.857 663 H GLU 86 HN GLU 86 -0.922 -9.217 1.112 664 HA GLU 86 HA GLU 86 -1.348 -11.907 1.931 665 HB2 GLU 86 HB2 GLU 86 0.884 -10.651 0.286 666 HB3 GLU 86 HB1 GLU 86 0.736 -12.389 0.521 667 HG2 GLU 86 HG2 GLU 86 -1.402 -12.399 -0.638 668 HG3 GLU 86 HG1 GLU 86 -1.348 -10.643 -0.813 669 H LEU 87 HN LEU 87 1.251 -9.574 2.671 670 HA LEU 87 HA LEU 87 2.895 -11.304 4.234 671 HB2 LEU 87 HB2 LEU 87 2.627 -8.272 4.247 672 HB3 LEU 87 HB1 LEU 87 3.870 -9.146 5.131 673 HG LEU 87 HG LEU 87 3.559 -9.226 2.106 674 HD11 LEU 87 HD11 LEU 87 5.510 -7.612 3.772 675 HD12 LEU 87 HD12 LEU 87 4.146 -6.978 2.847 676 HD13 LEU 87 HD13 LEU 87 5.492 -7.742 2.012 677 HD21 LEU 87 HD21 LEU 87 4.648 -11.241 3.012 678 HD22 LEU 87 HD22 LEU 87 5.822 -10.241 3.872 679 HD23 LEU 87 HD23 LEU 87 5.797 -10.260 2.104 680 H VAL 88 HN VAL 88 0.132 -9.217 5.084 681 HA VAL 88 HA VAL 88 0.319 -9.490 7.915 682 HB VAL 88 HB VAL 88 -2.192 -8.962 6.240 683 HG11 VAL 88 HG11 VAL 88 -2.747 -9.713 8.539 684 HG12 VAL 88 HG12 VAL 88 -3.146 -8.007 8.327 685 HG13 VAL 88 HG13 VAL 88 -1.688 -8.468 9.208 686 HG21 VAL 88 HG21 VAL 88 -0.454 -7.246 5.835 687 HG22 VAL 88 HG22 VAL 88 -0.291 -6.980 7.570 688 HG23 VAL 88 HG23 VAL 88 -1.797 -6.554 6.752 689 H ALA 89 HN ALA 89 -1.398 -11.322 5.412 690 HA ALA 89 HA ALA 89 -2.609 -13.274 7.060 691 HB1 ALA 89 HB1 ALA 89 -2.851 -14.598 4.992 692 HB2 ALA 89 HB2 ALA 89 -1.723 -13.522 4.161 693 HB3 ALA 89 HB3 ALA 89 -3.280 -12.909 4.720 694 H ALA 90 HN ALA 90 0.552 -13.144 5.443 695 HA ALA 90 HA ALA 90 1.454 -15.757 6.017 696 HB1 ALA 90 HB1 ALA 90 2.394 -14.346 4.216 697 HB2 ALA 90 HB2 ALA 90 3.658 -14.924 5.305 698 HB3 ALA 90 HB3 ALA 90 3.085 -13.257 5.422 699 H LYS 91 HN LYS 91 1.826 -12.659 7.786 700 HA LYS 91 HA LYS 91 3.706 -13.700 9.716 701 HB2 LYS 91 HB2 LYS 91 3.565 -11.567 10.816 702 HB3 LYS 91 HB1 LYS 91 3.540 -11.245 9.085 703 HG2 LYS 91 HG2 LYS 91 1.279 -10.619 9.090 704 HG3 LYS 91 HG1 LYS 91 0.937 -11.455 10.603 705 HD2 LYS 91 HD2 LYS 91 2.371 -9.737 11.779 706 HD3 LYS 91 HD1 LYS 91 2.467 -8.852 10.253 707 HE2 LYS 91 HE2 LYS 91 0.062 -8.493 10.248 708 HE3 LYS 91 HE1 LYS 91 -0.143 -9.554 11.647 709 HZ1 LYS 91 HZ1 LYS 91 1.116 -8.002 12.980 710 HZ2 LYS 91 HZ2 LYS 91 -0.204 -7.231 12.262 711 HZ3 LYS 91 HZ3 LYS 91 1.342 -6.991 11.642 712 H GLY 92 HN GLY 92 0.224 -13.629 9.366 713 HA2 GLY 92 HA2 GLY 92 -0.646 -14.062 12.009 714 HA3 GLY 92 HA1 GLY 92 -1.440 -14.682 10.562 715 H ALA 93 HN ALA 93 0.492 -16.306 9.521 716 HA ALA 93 HA ALA 93 1.596 -18.261 9.555 717 HB1 ALA 93 HB1 ALA 93 3.096 -17.052 11.099 718 HB2 ALA 93 HB2 ALA 93 3.024 -18.770 11.502 719 HB3 ALA 93 HB3 ALA 93 2.129 -17.596 12.469 720 H LEU 94 HN LEU 94 1.857 -20.410 10.982 721 HA LEU 94 HA LEU 94 -0.725 -21.602 11.370 722 HB2 LEU 94 HB2 LEU 94 2.077 -22.626 11.979 723 HB3 LEU 94 HB1 LEU 94 0.617 -23.608 12.056 724 HG LEU 94 HG LEU 94 1.617 -22.263 9.506 725 HD11 LEU 94 HD11 LEU 94 1.958 -25.164 10.325 726 HD12 LEU 94 HD12 LEU 94 3.239 -23.949 10.235 727 HD13 LEU 94 HD13 LEU 94 2.398 -24.447 8.769 728 HD21 LEU 94 HD21 LEU 94 -0.807 -22.675 9.512 729 HD22 LEU 94 HD22 LEU 94 -0.536 -24.374 9.901 730 HD23 LEU 94 HD23 LEU 94 0.007 -23.725 8.353 731 H GLU 95 HN GLU 95 1.711 -20.132 13.442 732 HA GLU 95 HA GLU 95 -0.123 -20.162 15.707 733 HB2 GLU 95 HB2 GLU 95 1.246 -22.255 16.009 734 HB3 GLU 95 HB1 GLU 95 2.715 -21.284 15.974 735 HG2 GLU 95 HG2 GLU 95 1.720 -20.025 17.993 736 HG3 GLU 95 HG1 GLU 95 0.557 -21.347 18.093 737 H HIS 96 HN HIS 96 -0.201 -17.904 15.400 738 HA HIS 96 HA HIS 96 2.123 -16.260 15.974 739 HB2 HIS 96 HB2 HIS 96 0.417 -15.338 14.487 740 HB3 HIS 96 HB1 HIS 96 -0.844 -15.634 15.676 741 HD1 HIS 96 HD1 HIS 96 -1.632 -13.433 16.422 742 HD2 HIS 96 HD2 HIS 96 2.507 -13.511 16.048 743 HE1 HIS 96 HE1 HIS 96 -0.847 -11.173 17.191 744 HE2 HIS 96 HE2 HIS 96 1.665 -11.278 17.048 745 H HIS 97 HN HIS 97 -0.846 -17.362 17.575 746 HA HIS 97 HA HIS 97 0.364 -17.337 20.213 747 HB2 HIS 97 HB2 HIS 97 -0.414 -15.033 20.197 748 HB3 HIS 97 HB1 HIS 97 -1.958 -15.506 19.511 749 HD1 HIS 97 HD1 HIS 97 -0.030 -15.752 22.758 750 HD2 HIS 97 HD2 HIS 97 -3.935 -16.022 21.360 751 HE1 HIS 97 HE1 HIS 97 -1.467 -15.908 24.804 752 HE2 HIS 97 HE2 HIS 97 -3.800 -16.273 23.931 753 H HIS 98 HN HIS 98 -2.792 -17.386 18.598 754 HA HIS 98 HA HIS 98 -3.239 -20.159 18.729 755 HB2 HIS 98 HB2 HIS 98 -3.601 -19.673 21.188 756 HB3 HIS 98 HB1 HIS 98 -4.885 -18.546 20.751 757 HD1 HIS 98 HD1 HIS 98 -4.123 -22.206 21.012 758 HD2 HIS 98 HD2 HIS 98 -7.318 -19.772 19.944 759 HE1 HIS 98 HE1 HIS 98 -6.128 -23.708 20.958 760 HE2 HIS 98 HE2 HIS 98 -8.079 -22.185 20.508 761 H HIS 99 HN HIS 99 -4.568 -20.477 17.000 762 HA HIS 99 HA HIS 99 -5.452 -18.146 15.546 763 HB2 HIS 99 HB2 HIS 99 -4.296 -20.035 14.418 764 HB3 HIS 99 HB1 HIS 99 -5.652 -21.095 14.790 765 HD1 HIS 99 HD1 HIS 99 -7.566 -21.110 13.133 766 HD2 HIS 99 HD2 HIS 99 -4.944 -17.949 12.466 767 HE1 HIS 99 HE1 HIS 99 -8.323 -20.036 10.992 768 HE2 HIS 99 HE2 HIS 99 -6.771 -18.094 10.642 769 H HIS 100 HN HIS 100 -7.006 -17.546 17.198 770 HA HIS 100 HA HIS 100 -9.702 -17.987 16.325 771 HB2 HIS 100 HB2 HIS 100 -8.878 -18.901 19.113 772 HB3 HIS 100 HB1 HIS 100 -10.512 -18.338 18.800 773 HD1 HIS 100 HD1 HIS 100 -11.940 -19.821 17.091 774 HD2 HIS 100 HD2 HIS 100 -8.416 -21.550 18.450 775 HE1 HIS 100 HE1 HIS 100 -12.157 -22.272 16.594 776 HE2 HIS 100 HE2 HIS 100 -10.120 -23.318 17.650 777 H HIS 101 HN HIS 101 -7.788 -16.844 19.106 778 HA HIS 101 HA HIS 101 -7.582 -14.942 20.252 779 HB2 HIS 101 HB2 HIS 101 -6.357 -14.300 18.197 780 HB3 HIS 101 HB1 HIS 101 -7.841 -13.653 17.501 781 HD1 HIS 101 HD1 HIS 101 -8.037 -11.191 17.747 782 HD2 HIS 101 HD2 HIS 101 -5.775 -12.860 20.805 783 HE1 HIS 101 HE1 HIS 101 -7.337 -9.260 19.205 784 HE2 HIS 101 HE2 HIS 101 -6.080 -10.310 21.109 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -15.610 1.505 5.192 2 H2 MET 1 HT2 MET 1 -14.367 0.678 5.986 3 H3 MET 1 HT3 MET 1 -14.437 0.687 4.296 4 HA MET 1 HA MET 1 -14.014 2.999 4.201 5 HB2 MET 1 HB2 MET 1 -13.968 2.824 7.247 6 HB3 MET 1 HB1 MET 1 -13.357 4.207 6.346 7 HG2 MET 1 HG2 MET 1 -15.598 4.609 5.434 8 HG3 MET 1 HG1 MET 1 -16.218 3.216 6.322 9 HE1 MET 1 HE1 MET 1 -13.550 5.905 7.647 10 HE2 MET 1 HE2 MET 1 -14.641 7.059 8.411 11 HE3 MET 1 HE3 MET 1 -14.657 6.857 6.660 12 H THR 2 HN THR 2 -12.213 1.755 7.038 13 HA THR 2 HA THR 2 -9.696 2.128 5.710 14 HB THR 2 HB THR 2 -8.770 1.220 7.929 15 HG1 THR 2 HG1 THR 2 -10.444 1.229 9.634 16 HG21 THR 2 HG21 THR 2 -9.357 3.238 9.216 17 HG22 THR 2 HG22 THR 2 -10.692 3.574 8.112 18 HG23 THR 2 HG23 THR 2 -9.026 3.653 7.531 19 H SER 3 HN SER 3 -10.195 0.611 3.956 20 HA SER 3 HA SER 3 -9.734 -2.226 4.373 21 HB2 SER 3 HB2 SER 3 -9.721 -2.295 1.881 22 HB3 SER 3 HB1 SER 3 -11.135 -1.427 2.474 23 HG SER 3 HG SER 3 -10.424 0.352 1.568 24 H THR 4 HN THR 4 -7.746 -3.139 2.913 25 HA THR 4 HA THR 4 -5.345 -2.219 4.056 26 HB THR 4 HB THR 4 -5.562 -3.802 1.451 27 HG1 THR 4 HG1 THR 4 -5.134 -5.530 3.272 28 HG21 THR 4 HG21 THR 4 -3.269 -2.977 1.907 29 HG22 THR 4 HG22 THR 4 -3.359 -4.726 2.111 30 HG23 THR 4 HG23 THR 4 -3.331 -3.679 3.531 31 H PHE 5 HN PHE 5 -6.652 -1.626 0.753 32 HA PHE 5 HA PHE 5 -4.653 0.090 -0.208 33 HB2 PHE 5 HB2 PHE 5 -6.141 -0.691 -1.867 34 HB3 PHE 5 HB1 PHE 5 -7.569 -0.297 -0.921 35 HD1 PHE 5 HD1 PHE 5 -4.676 1.470 -2.606 36 HD2 PHE 5 HD2 PHE 5 -8.836 1.591 -1.573 37 HE1 PHE 5 HE1 PHE 5 -4.916 3.626 -3.765 38 HE2 PHE 5 HE2 PHE 5 -9.054 3.745 -2.746 39 HZ PHE 5 HZ PHE 5 -7.093 4.766 -3.834 40 H ASP 6 HN ASP 6 -7.714 0.907 1.457 41 HA ASP 6 HA ASP 6 -7.523 3.706 1.258 42 HB2 ASP 6 HB2 ASP 6 -9.619 2.579 1.867 43 HB3 ASP 6 HB1 ASP 6 -8.915 2.031 3.385 44 H ARG 7 HN ARG 7 -6.407 1.487 3.785 45 HA ARG 7 HA ARG 7 -5.455 3.362 5.662 46 HB2 ARG 7 HB2 ARG 7 -4.678 0.467 5.147 47 HB3 ARG 7 HB1 ARG 7 -4.031 1.404 6.493 48 HG2 ARG 7 HG2 ARG 7 -6.260 1.677 7.437 49 HG3 ARG 7 HG1 ARG 7 -6.989 0.861 6.052 50 HD2 ARG 7 HD2 ARG 7 -5.922 -1.231 6.657 51 HD3 ARG 7 HD1 ARG 7 -4.997 -0.445 7.944 52 HE ARG 7 HE ARG 7 -7.810 -1.214 7.981 53 HH11 ARG 7 HH11 ARG 7 -5.242 0.542 9.625 54 HH12 ARG 7 HH12 ARG 7 -6.103 0.618 11.127 55 HH21 ARG 7 HH21 ARG 7 -8.913 -1.092 9.957 56 HH22 ARG 7 HH22 ARG 7 -8.178 -0.306 11.317 57 H VAL 8 HN VAL 8 -3.859 1.716 2.924 58 HA VAL 8 HA VAL 8 -1.206 2.571 3.496 59 HB VAL 8 HB VAL 8 -2.514 1.505 0.953 60 HG11 VAL 8 HG11 VAL 8 -0.238 1.157 0.025 61 HG12 VAL 8 HG12 VAL 8 0.455 2.010 1.405 62 HG13 VAL 8 HG13 VAL 8 -0.579 2.872 0.267 63 HG21 VAL 8 HG21 VAL 8 -1.313 -0.578 1.504 64 HG22 VAL 8 HG22 VAL 8 -2.352 -0.083 2.842 65 HG23 VAL 8 HG23 VAL 8 -0.612 0.191 2.929 66 H ALA 9 HN ALA 9 -3.767 3.761 1.359 67 HA ALA 9 HA ALA 9 -2.454 5.864 0.049 68 HB1 ALA 9 HB1 ALA 9 -5.410 5.705 0.804 69 HB2 ALA 9 HB2 ALA 9 -4.680 5.028 -0.656 70 HB3 ALA 9 HB3 ALA 9 -4.711 6.778 -0.418 71 H THR 10 HN THR 10 -4.254 5.782 3.093 72 HA THR 10 HA THR 10 -4.068 8.539 3.698 73 HB THR 10 HB THR 10 -4.516 6.268 5.678 74 HG1 THR 10 HG1 THR 10 -5.960 6.526 3.691 75 HG21 THR 10 HG21 THR 10 -4.097 8.459 6.763 76 HG22 THR 10 HG22 THR 10 -5.774 7.960 6.977 77 HG23 THR 10 HG23 THR 10 -5.371 9.194 5.781 78 H ILE 11 HN ILE 11 -2.062 5.736 4.727 79 HA ILE 11 HA ILE 11 -0.307 7.102 6.437 80 HB ILE 11 HB ILE 11 0.321 4.697 4.659 81 HG12 ILE 11 HG12 ILE 11 -0.524 4.711 7.590 82 HG13 ILE 11 HG11 ILE 11 -1.637 4.421 6.267 83 HG21 ILE 11 HG21 ILE 11 1.790 5.713 7.127 84 HG22 ILE 11 HG22 ILE 11 2.404 5.720 5.472 85 HG23 ILE 11 HG23 ILE 11 2.129 4.189 6.302 86 HD11 ILE 11 HD11 ILE 11 0.728 2.688 6.987 87 HD12 ILE 11 HD12 ILE 11 -0.413 2.388 5.671 88 HD13 ILE 11 HD13 ILE 11 -0.964 2.359 7.346 89 H ILE 12 HN ILE 12 -0.104 6.533 2.910 90 HA ILE 12 HA ILE 12 2.305 7.815 2.328 91 HB ILE 12 HB ILE 12 -0.229 7.631 0.628 92 HG12 ILE 12 HG12 ILE 12 2.289 5.906 0.646 93 HG13 ILE 12 HG11 ILE 12 0.693 5.417 1.190 94 HG21 ILE 12 HG21 ILE 12 2.567 8.374 -0.316 95 HG22 ILE 12 HG22 ILE 12 1.182 9.461 -0.222 96 HG23 ILE 12 HG23 ILE 12 1.160 8.112 -1.354 97 HD11 ILE 12 HD11 ILE 12 -0.111 5.638 -1.144 98 HD12 ILE 12 HD12 ILE 12 1.171 4.446 -0.948 99 HD13 ILE 12 HD13 ILE 12 1.542 6.024 -1.642 100 H ALA 13 HN ALA 13 -0.998 9.118 2.414 101 HA ALA 13 HA ALA 13 -0.596 11.773 1.804 102 HB1 ALA 13 HB1 ALA 13 -2.790 10.737 1.943 103 HB2 ALA 13 HB2 ALA 13 -2.743 12.163 2.977 104 HB3 ALA 13 HB3 ALA 13 -2.631 10.553 3.691 105 H GLU 14 HN GLU 14 -0.652 10.314 5.075 106 HA GLU 14 HA GLU 14 -0.301 12.685 6.553 107 HB2 GLU 14 HB2 GLU 14 0.230 9.779 7.314 108 HB3 GLU 14 HB1 GLU 14 0.170 11.112 8.464 109 HG2 GLU 14 HG2 GLU 14 -2.173 11.501 7.977 110 HG3 GLU 14 HG1 GLU 14 -2.148 10.291 6.697 111 H THR 15 HN THR 15 1.986 10.454 5.091 112 HA THR 15 HA THR 15 4.292 11.486 6.536 113 HB THR 15 HB THR 15 4.320 9.631 4.108 114 HG1 THR 15 HG1 THR 15 3.441 8.257 5.444 115 HG21 THR 15 HG21 THR 15 6.374 10.049 6.320 116 HG22 THR 15 HG22 THR 15 6.532 10.638 4.663 117 HG23 THR 15 HG23 THR 15 6.512 8.900 4.988 118 H CYS 16 HN CYS 16 2.933 11.801 3.208 119 HA CYS 16 HA CYS 16 5.267 13.312 2.299 120 HB2 CYS 16 HB2 CYS 16 4.372 11.372 0.972 121 HB3 CYS 16 HB1 CYS 16 2.874 12.254 0.738 122 HG CYS 16 HG CYS 16 5.313 14.188 -0.231 123 H ASP 17 HN ASP 17 2.314 14.059 3.718 124 HA ASP 17 HA ASP 17 0.787 15.682 3.716 125 HB2 ASP 17 HB2 ASP 17 3.171 17.345 2.846 126 HB3 ASP 17 HB1 ASP 17 1.626 18.055 3.303 127 H ILE 18 HN ILE 18 -0.186 14.429 2.014 128 HA ILE 18 HA ILE 18 -0.988 16.135 -0.237 129 HB ILE 18 HB ILE 18 -1.027 14.010 -1.744 130 HG12 ILE 18 HG12 ILE 18 1.040 13.018 0.283 131 HG13 ILE 18 HG11 ILE 18 -0.555 12.320 0.048 132 HG21 ILE 18 HG21 ILE 18 1.274 14.332 -2.551 133 HG22 ILE 18 HG22 ILE 18 1.692 15.171 -1.057 134 HG23 ILE 18 HG23 ILE 18 0.516 15.878 -2.163 135 HD11 ILE 18 HD11 ILE 18 1.685 12.359 -1.975 136 HD12 ILE 18 HD12 ILE 18 0.082 11.664 -2.236 137 HD13 ILE 18 HD13 ILE 18 1.155 10.980 -1.017 138 HA PRO 19 HA PRO 19 -4.983 14.464 1.114 139 HB2 PRO 19 HB2 PRO 19 -6.552 14.885 -1.097 140 HB3 PRO 19 HB1 PRO 19 -6.015 16.200 -0.044 141 HG2 PRO 19 HG2 PRO 19 -4.907 15.320 -2.702 142 HG3 PRO 19 HG1 PRO 19 -5.168 16.968 -2.089 143 HD2 PRO 19 HD2 PRO 19 -2.714 15.724 -2.093 144 HD3 PRO 19 HD1 PRO 19 -3.161 16.981 -0.924 145 H ARG 20 HN ARG 20 -5.224 12.309 1.401 146 HA ARG 20 HA ARG 20 -4.339 10.286 -0.373 147 HB2 ARG 20 HB2 ARG 20 -5.467 8.684 1.223 148 HB3 ARG 20 HB1 ARG 20 -4.348 9.797 1.965 149 HG2 ARG 20 HG2 ARG 20 -6.071 9.839 3.503 150 HG3 ARG 20 HG1 ARG 20 -6.461 11.238 2.507 151 HD2 ARG 20 HD2 ARG 20 -8.536 10.333 2.390 152 HD3 ARG 20 HD1 ARG 20 -7.846 9.245 1.196 153 HE ARG 20 HE ARG 20 -7.626 7.566 2.895 154 HH11 ARG 20 HH11 ARG 20 -9.576 10.328 3.860 155 HH12 ARG 20 HH12 ARG 20 -10.419 9.441 5.089 156 HH21 ARG 20 HH21 ARG 20 -8.742 6.435 4.510 157 HH22 ARG 20 HH22 ARG 20 -9.954 7.247 5.450 158 H GLU 21 HN GLU 21 -7.229 12.064 -0.466 159 HA GLU 21 HA GLU 21 -9.013 10.017 -1.446 160 HB2 GLU 21 HB2 GLU 21 -10.599 11.884 -1.766 161 HB3 GLU 21 HB1 GLU 21 -9.880 11.921 -0.158 162 HG2 GLU 21 HG2 GLU 21 -8.326 13.710 -0.909 163 HG3 GLU 21 HG1 GLU 21 -9.090 13.701 -2.500 164 H THR 22 HN THR 22 -6.725 12.291 -2.797 165 HA THR 22 HA THR 22 -7.694 12.051 -5.536 166 HB THR 22 HB THR 22 -5.809 13.522 -6.161 167 HG1 THR 22 HG1 THR 22 -5.051 13.662 -3.442 168 HG21 THR 22 HG21 THR 22 -7.841 14.630 -5.282 169 HG22 THR 22 HG22 THR 22 -6.390 15.535 -4.848 170 HG23 THR 22 HG23 THR 22 -7.191 14.526 -3.642 171 H ILE 23 HN ILE 23 -5.904 10.106 -3.476 172 HA ILE 23 HA ILE 23 -4.163 8.916 -5.503 173 HB ILE 23 HB ILE 23 -4.582 8.447 -2.517 174 HG12 ILE 23 HG12 ILE 23 -2.056 8.741 -2.444 175 HG13 ILE 23 HG11 ILE 23 -2.094 9.112 -4.158 176 HG21 ILE 23 HG21 ILE 23 -4.521 6.198 -3.415 177 HG22 ILE 23 HG22 ILE 23 -3.001 6.532 -2.585 178 HG23 ILE 23 HG23 ILE 23 -3.068 6.566 -4.348 179 HD11 ILE 23 HD11 ILE 23 -3.352 10.707 -1.942 180 HD12 ILE 23 HD12 ILE 23 -3.463 11.094 -3.662 181 HD13 ILE 23 HD13 ILE 23 -1.896 11.110 -2.851 182 H THR 24 HN THR 24 -4.988 7.418 -6.844 183 HA THR 24 HA THR 24 -7.448 5.906 -6.179 184 HB THR 24 HB THR 24 -7.558 5.425 -8.626 185 HG1 THR 24 HG1 THR 24 -5.689 7.217 -9.453 186 HG21 THR 24 HG21 THR 24 -8.669 7.485 -7.808 187 HG22 THR 24 HG22 THR 24 -8.039 7.711 -9.442 188 HG23 THR 24 HG23 THR 24 -7.173 8.393 -8.065 189 HA PRO 25 HA PRO 25 -5.122 2.031 -5.902 190 HB2 PRO 25 HB2 PRO 25 -6.561 0.210 -7.402 191 HB3 PRO 25 HB1 PRO 25 -7.070 0.770 -5.798 192 HG2 PRO 25 HG2 PRO 25 -7.941 1.750 -8.522 193 HG3 PRO 25 HG1 PRO 25 -8.943 1.348 -7.109 194 HD2 PRO 25 HD2 PRO 25 -8.333 3.902 -7.690 195 HD3 PRO 25 HD1 PRO 25 -8.402 3.350 -5.998 196 H GLU 26 HN GLU 26 -5.595 3.527 -9.025 197 HA GLU 26 HA GLU 26 -3.690 1.708 -10.364 198 HB2 GLU 26 HB2 GLU 26 -4.416 2.763 -12.456 199 HB3 GLU 26 HB1 GLU 26 -5.807 2.168 -11.556 200 HG2 GLU 26 HG2 GLU 26 -6.236 4.500 -10.758 201 HG3 GLU 26 HG1 GLU 26 -4.906 5.062 -11.771 202 H SER 27 HN SER 27 -3.561 4.332 -8.440 203 HA SER 27 HA SER 27 -1.873 6.171 -9.857 204 HB2 SER 27 HB2 SER 27 -3.313 6.922 -8.006 205 HB3 SER 27 HB1 SER 27 -2.477 5.859 -6.876 206 HG SER 27 HG SER 27 -1.435 8.113 -8.233 207 H HIS 28 HN HIS 28 0.279 5.977 -10.175 208 HA HIS 28 HA HIS 28 1.886 3.973 -8.795 209 HB2 HIS 28 HB2 HIS 28 2.072 4.561 -11.301 210 HB3 HIS 28 HB1 HIS 28 2.886 6.040 -10.803 211 HD2 HIS 28 HD2 HIS 28 3.670 2.453 -11.576 212 HE1 HIS 28 HE1 HIS 28 6.892 3.815 -9.209 213 HE2 HIS 28 HE2 HIS 28 6.154 2.130 -10.959 214 H ALA 29 HN ALA 29 2.764 4.483 -6.834 215 HA ALA 29 HA ALA 29 2.765 6.926 -5.574 216 HB1 ALA 29 HB1 ALA 29 4.244 5.881 -3.919 217 HB2 ALA 29 HB2 ALA 29 4.631 4.592 -5.065 218 HB3 ALA 29 HB3 ALA 29 2.987 4.757 -4.448 219 H ILE 30 HN ILE 30 5.240 5.707 -7.783 220 HA ILE 30 HA ILE 30 7.249 7.653 -6.808 221 HB ILE 30 HB ILE 30 7.648 5.500 -8.931 222 HG12 ILE 30 HG12 ILE 30 6.953 4.363 -6.850 223 HG13 ILE 30 HG11 ILE 30 8.644 4.034 -7.200 224 HG21 ILE 30 HG21 ILE 30 9.348 7.245 -8.987 225 HG22 ILE 30 HG22 ILE 30 10.051 5.731 -8.423 226 HG23 ILE 30 HG23 ILE 30 9.685 7.016 -7.270 227 HD11 ILE 30 HD11 ILE 30 8.297 4.378 -4.867 228 HD12 ILE 30 HD12 ILE 30 7.585 5.962 -5.155 229 HD13 ILE 30 HD13 ILE 30 9.293 5.679 -5.510 230 H ASP 31 HN ASP 31 5.455 6.715 -9.709 231 HA ASP 31 HA ASP 31 6.825 8.686 -11.403 232 HB2 ASP 31 HB2 ASP 31 6.659 6.309 -12.137 233 HB3 ASP 31 HB1 ASP 31 4.904 6.429 -12.125 234 H ASP 32 HN ASP 32 3.575 7.904 -10.197 235 HA ASP 32 HA ASP 32 2.308 10.002 -11.807 236 HB2 ASP 32 HB2 ASP 32 1.151 7.847 -11.628 237 HB3 ASP 32 HB1 ASP 32 1.145 7.955 -9.875 238 H LEU 33 HN LEU 33 2.637 9.147 -8.356 239 HA LEU 33 HA LEU 33 1.652 11.686 -7.400 240 HB2 LEU 33 HB2 LEU 33 3.034 9.431 -5.901 241 HB3 LEU 33 HB1 LEU 33 2.250 10.812 -5.146 242 HG LEU 33 HG LEU 33 0.863 8.639 -6.770 243 HD11 LEU 33 HD11 LEU 33 0.748 9.186 -3.787 244 HD12 LEU 33 HD12 LEU 33 1.576 7.839 -4.572 245 HD13 LEU 33 HD13 LEU 33 -0.178 7.962 -4.665 246 HD21 LEU 33 HD21 LEU 33 -0.275 10.756 -7.131 247 HD22 LEU 33 HD22 LEU 33 -0.350 11.061 -5.391 248 HD23 LEU 33 HD23 LEU 33 -1.258 9.720 -6.095 249 H GLY 34 HN GLY 34 4.632 10.591 -8.561 250 HA2 GLY 34 HA2 GLY 34 6.712 11.502 -8.749 251 HA3 GLY 34 HA1 GLY 34 5.976 13.026 -8.296 252 H ILE 35 HN ILE 35 6.016 10.195 -6.177 253 HA ILE 35 HA ILE 35 7.236 11.734 -4.041 254 HB ILE 35 HB ILE 35 6.402 8.798 -4.164 255 HG12 ILE 35 HG12 ILE 35 4.990 11.144 -2.813 256 HG13 ILE 35 HG11 ILE 35 4.534 10.493 -4.383 257 HG21 ILE 35 HG21 ILE 35 6.588 8.779 -1.702 258 HG22 ILE 35 HG22 ILE 35 7.217 10.425 -1.725 259 HG23 ILE 35 HG23 ILE 35 8.149 9.111 -2.450 260 HD11 ILE 35 HD11 ILE 35 3.972 8.356 -3.329 261 HD12 ILE 35 HD12 ILE 35 3.066 9.701 -2.640 262 HD13 ILE 35 HD13 ILE 35 4.426 9.018 -1.755 263 H ASP 36 HN ASP 36 9.365 11.844 -3.695 264 HA ASP 36 HA ASP 36 11.327 10.484 -5.224 265 HB2 ASP 36 HB2 ASP 36 11.530 12.794 -4.054 266 HB3 ASP 36 HB1 ASP 36 11.865 11.905 -2.578 267 H SER 37 HN SER 37 12.956 9.022 -4.445 268 HA SER 37 HA SER 37 11.824 6.759 -3.178 269 HB2 SER 37 HB2 SER 37 14.736 7.284 -3.902 270 HB3 SER 37 HB1 SER 37 14.006 5.706 -3.585 271 HG SER 37 HG SER 37 12.599 7.076 -5.461 272 H LEU 38 HN LEU 38 13.747 9.429 -1.911 273 HA LEU 38 HA LEU 38 14.569 8.090 0.514 274 HB2 LEU 38 HB2 LEU 38 15.436 10.251 1.241 275 HB3 LEU 38 HB1 LEU 38 15.903 9.927 -0.412 276 HG LEU 38 HG LEU 38 13.790 11.513 -0.965 277 HD11 LEU 38 HD11 LEU 38 13.569 13.381 0.609 278 HD12 LEU 38 HD12 LEU 38 14.625 12.555 1.757 279 HD13 LEU 38 HD13 LEU 38 13.054 11.865 1.345 280 HD21 LEU 38 HD21 LEU 38 16.085 11.954 -1.699 281 HD22 LEU 38 HD22 LEU 38 16.487 12.611 -0.112 282 HD23 LEU 38 HD23 LEU 38 15.311 13.435 -1.140 283 H ASP 39 HN ASP 39 11.878 10.106 -0.519 284 HA ASP 39 HA ASP 39 10.612 10.406 2.052 285 HB2 ASP 39 HB2 ASP 39 9.503 10.728 -0.785 286 HB3 ASP 39 HB1 ASP 39 8.591 11.106 0.671 287 H PHE 40 HN PHE 40 10.259 8.194 -0.706 288 HA PHE 40 HA PHE 40 7.981 6.809 0.319 289 HB2 PHE 40 HB2 PHE 40 8.609 6.945 -2.151 290 HB3 PHE 40 HB1 PHE 40 9.889 5.778 -1.828 291 HD1 PHE 40 HD1 PHE 40 6.183 6.269 -1.622 292 HD2 PHE 40 HD2 PHE 40 9.375 3.419 -1.791 293 HE1 PHE 40 HE1 PHE 40 4.552 4.443 -1.825 294 HE2 PHE 40 HE2 PHE 40 7.728 1.603 -2.001 295 HZ PHE 40 HZ PHE 40 5.315 2.110 -2.014 296 H LEU 41 HN LEU 41 11.436 6.487 0.761 297 HA LEU 41 HA LEU 41 11.581 3.931 1.920 298 HB2 LEU 41 HB2 LEU 41 13.425 5.808 1.428 299 HB3 LEU 41 HB1 LEU 41 13.146 6.237 3.101 300 HG LEU 41 HG LEU 41 14.204 3.572 2.058 301 HD11 LEU 41 HD11 LEU 41 16.291 4.170 3.205 302 HD12 LEU 41 HD12 LEU 41 15.598 5.725 3.674 303 HD13 LEU 41 HD13 LEU 41 15.864 5.352 1.969 304 HD21 LEU 41 HD21 LEU 41 12.837 3.118 4.044 305 HD22 LEU 41 HD22 LEU 41 13.730 4.330 4.962 306 HD23 LEU 41 HD23 LEU 41 14.546 2.873 4.391 307 H ASP 42 HN ASP 42 10.780 7.099 3.323 308 HA ASP 42 HA ASP 42 10.273 6.203 6.010 309 HB2 ASP 42 HB2 ASP 42 9.365 8.772 4.653 310 HB3 ASP 42 HB1 ASP 42 9.329 8.468 6.389 311 H ILE 43 HN ILE 43 8.254 6.822 3.177 312 HA ILE 43 HA ILE 43 5.714 6.584 4.391 313 HB ILE 43 HB ILE 43 6.622 6.106 1.518 314 HG12 ILE 43 HG12 ILE 43 5.135 8.422 2.842 315 HG13 ILE 43 HG11 ILE 43 6.795 8.443 2.262 316 HG21 ILE 43 HG21 ILE 43 4.246 6.130 0.824 317 HG22 ILE 43 HG22 ILE 43 3.751 6.125 2.518 318 HG23 ILE 43 HG23 ILE 43 4.619 4.743 1.847 319 HD11 ILE 43 HD11 ILE 43 4.305 8.232 0.579 320 HD12 ILE 43 HD12 ILE 43 5.959 8.194 -0.041 321 HD13 ILE 43 HD13 ILE 43 5.350 9.640 0.764 322 H ALA 44 HN ALA 44 7.801 4.181 2.763 323 HA ALA 44 HA ALA 44 5.982 1.984 3.020 324 HB1 ALA 44 HB1 ALA 44 7.642 2.065 1.194 325 HB2 ALA 44 HB2 ALA 44 7.862 0.617 2.180 326 HB3 ALA 44 HB3 ALA 44 8.957 1.990 2.371 327 H PHE 45 HN PHE 45 8.760 3.230 4.809 328 HA PHE 45 HA PHE 45 9.087 1.291 6.783 329 HB2 PHE 45 HB2 PHE 45 10.567 3.302 6.299 330 HB3 PHE 45 HB1 PHE 45 9.400 4.306 7.139 331 HD1 PHE 45 HD1 PHE 45 11.943 1.641 7.538 332 HD2 PHE 45 HD2 PHE 45 9.359 4.364 9.581 333 HE1 PHE 45 HE1 PHE 45 13.171 1.242 9.627 334 HE2 PHE 45 HE2 PHE 45 10.599 3.961 11.670 335 HZ PHE 45 HZ PHE 45 12.506 2.404 11.695 336 H ALA 46 HN ALA 46 6.806 4.028 6.616 337 HA ALA 46 HA ALA 46 5.791 3.669 9.297 338 HB1 ALA 46 HB1 ALA 46 5.812 5.882 8.215 339 HB2 ALA 46 HB2 ALA 46 4.174 5.428 8.692 340 HB3 ALA 46 HB3 ALA 46 4.668 5.312 6.999 341 H ILE 47 HN ILE 47 4.733 2.724 6.049 342 HA ILE 47 HA ILE 47 2.239 1.523 6.708 343 HB ILE 47 HB ILE 47 4.174 0.866 4.435 344 HG12 ILE 47 HG12 ILE 47 1.644 2.569 4.330 345 HG13 ILE 47 HG11 ILE 47 3.268 3.231 4.443 346 HG21 ILE 47 HG21 ILE 47 2.651 -1.018 4.819 347 HG22 ILE 47 HG22 ILE 47 2.263 -0.210 3.301 348 HG23 ILE 47 HG23 ILE 47 1.257 0.065 4.724 349 HD11 ILE 47 HD11 ILE 47 2.411 3.326 2.170 350 HD12 ILE 47 HD12 ILE 47 2.205 1.575 2.149 351 HD13 ILE 47 HD13 ILE 47 3.824 2.275 2.261 352 H ASP 48 HN ASP 48 5.510 0.306 6.450 353 HA ASP 48 HA ASP 48 5.351 -2.391 6.911 354 HB2 ASP 48 HB2 ASP 48 7.376 -1.083 6.304 355 HB3 ASP 48 HB1 ASP 48 7.410 -0.375 7.905 356 H LYS 49 HN LYS 49 5.721 0.184 9.340 357 HA LYS 49 HA LYS 49 5.536 -1.580 11.600 358 HB2 LYS 49 HB2 LYS 49 5.203 1.438 11.720 359 HB3 LYS 49 HB1 LYS 49 5.709 0.360 13.018 360 HG2 LYS 49 HG2 LYS 49 7.286 1.245 10.591 361 HG3 LYS 49 HG1 LYS 49 7.651 1.531 12.292 362 HD2 LYS 49 HD2 LYS 49 8.236 -0.798 12.616 363 HD3 LYS 49 HD1 LYS 49 7.645 -1.227 11.010 364 HE2 LYS 49 HE2 LYS 49 9.443 0.236 10.031 365 HE3 LYS 49 HE1 LYS 49 10.093 0.447 11.662 366 HZ1 LYS 49 HZ1 LYS 49 11.159 -1.330 10.329 367 HZ2 LYS 49 HZ2 LYS 49 9.704 -2.191 10.366 368 HZ3 LYS 49 HZ3 LYS 49 10.534 -1.865 11.803 369 H ALA 50 HN ALA 50 3.228 0.514 9.911 370 HA ALA 50 HA ALA 50 1.103 0.459 11.769 371 HB1 ALA 50 HB1 ALA 50 0.941 0.717 8.741 372 HB2 ALA 50 HB2 ALA 50 1.188 2.044 9.876 373 HB3 ALA 50 HB3 ALA 50 -0.335 1.153 9.884 374 H PHE 51 HN PHE 51 1.860 -1.678 9.047 375 HA PHE 51 HA PHE 51 -0.400 -3.454 9.599 376 HB2 PHE 51 HB2 PHE 51 1.571 -3.264 7.295 377 HB3 PHE 51 HB1 PHE 51 0.468 -4.625 7.467 378 HD1 PHE 51 HD2 PHE 51 0.660 -0.980 6.781 379 HD2 PHE 51 HD1 PHE 51 -1.902 -4.397 7.030 380 HE1 PHE 51 HE2 PHE 51 -1.120 0.260 5.612 381 HE2 PHE 51 HE1 PHE 51 -3.672 -3.148 5.866 382 HZ PHE 51 HZ PHE 51 -3.284 -0.826 5.152 383 H GLY 52 HN GLY 52 2.739 -3.169 10.695 384 HA2 GLY 52 HA2 GLY 52 3.992 -4.493 12.077 385 HA3 GLY 52 HA1 GLY 52 2.547 -5.471 12.292 386 H ILE 53 HN ILE 53 4.498 -4.846 9.429 387 HA ILE 53 HA ILE 53 5.321 -7.680 9.153 388 HB ILE 53 HB ILE 53 4.856 -7.503 6.658 389 HG12 ILE 53 HG12 ILE 53 3.206 -5.035 7.423 390 HG13 ILE 53 HG11 ILE 53 4.744 -4.976 6.570 391 HG21 ILE 53 HG21 ILE 53 3.333 -8.773 8.092 392 HG22 ILE 53 HG22 ILE 53 2.442 -7.979 6.793 393 HG23 ILE 53 HG23 ILE 53 2.396 -7.314 8.428 394 HD11 ILE 53 HD11 ILE 53 3.730 -6.184 4.702 395 HD12 ILE 53 HD12 ILE 53 2.886 -4.680 5.067 396 HD13 ILE 53 HD13 ILE 53 2.192 -6.222 5.569 397 H LYS 54 HN LYS 54 7.065 -7.831 7.368 398 HA LYS 54 HA LYS 54 8.672 -5.358 7.194 399 HB2 LYS 54 HB2 LYS 54 9.940 -7.302 8.041 400 HB3 LYS 54 HB1 LYS 54 9.495 -8.239 6.615 401 HG2 LYS 54 HG2 LYS 54 10.731 -6.579 5.193 402 HG3 LYS 54 HG1 LYS 54 11.233 -5.741 6.666 403 HD2 LYS 54 HD2 LYS 54 12.465 -7.741 7.400 404 HD3 LYS 54 HD1 LYS 54 11.915 -8.628 5.976 405 HE2 LYS 54 HE2 LYS 54 13.134 -6.986 4.535 406 HE3 LYS 54 HE1 LYS 54 13.728 -6.190 5.994 407 HZ1 LYS 54 HZ1 LYS 54 15.364 -7.698 5.104 408 HZ2 LYS 54 HZ2 LYS 54 14.282 -8.993 5.191 409 HZ3 LYS 54 HZ3 LYS 54 14.829 -8.257 6.611 410 H LEU 55 HN LEU 55 7.891 -4.216 5.470 411 HA LEU 55 HA LEU 55 7.203 -5.343 2.949 412 HB2 LEU 55 HB2 LEU 55 8.118 -2.532 3.687 413 HB3 LEU 55 HB1 LEU 55 7.594 -2.994 2.068 414 HG LEU 55 HG LEU 55 5.887 -2.943 4.591 415 HD11 LEU 55 HD11 LEU 55 5.684 -1.336 2.021 416 HD12 LEU 55 HD12 LEU 55 6.245 -0.742 3.587 417 HD13 LEU 55 HD13 LEU 55 4.573 -1.255 3.393 418 HD21 LEU 55 HD21 LEU 55 5.054 -3.886 1.821 419 HD22 LEU 55 HD22 LEU 55 4.012 -3.720 3.237 420 HD23 LEU 55 HD23 LEU 55 5.293 -4.918 3.234 421 HA PRO 56 HA PRO 56 11.549 -6.133 1.817 422 HB2 PRO 56 HB2 PRO 56 11.094 -7.574 -0.441 423 HB3 PRO 56 HB1 PRO 56 10.806 -8.252 1.168 424 HG2 PRO 56 HG2 PRO 56 8.839 -7.125 -0.809 425 HG3 PRO 56 HG1 PRO 56 8.696 -8.569 0.218 426 HD2 PRO 56 HD2 PRO 56 7.559 -6.113 0.828 427 HD3 PRO 56 HD1 PRO 56 7.970 -7.344 2.039 428 H LEU 57 HN LEU 57 10.956 -3.591 1.505 429 HA LEU 57 HA LEU 57 10.657 -2.450 -1.050 430 HB2 LEU 57 HB2 LEU 57 10.390 -1.364 1.258 431 HB3 LEU 57 HB1 LEU 57 12.131 -1.279 1.359 432 HG LEU 57 HG LEU 57 10.948 0.888 0.802 433 HD11 LEU 57 HD11 LEU 57 12.519 1.695 -0.863 434 HD12 LEU 57 HD12 LEU 57 12.962 0.037 -1.288 435 HD13 LEU 57 HD13 LEU 57 13.326 0.666 0.320 436 HD21 LEU 57 HD21 LEU 57 10.114 1.269 -1.461 437 HD22 LEU 57 HD22 LEU 57 9.202 0.006 -0.639 438 HD23 LEU 57 HD23 LEU 57 10.395 -0.427 -1.868 439 H GLU 58 HN GLU 58 13.487 -3.461 0.803 440 HA GLU 58 HA GLU 58 15.597 -2.663 -0.870 441 HB2 GLU 58 HB2 GLU 58 16.898 -4.490 0.306 442 HB3 GLU 58 HB1 GLU 58 16.020 -3.435 1.409 443 HG2 GLU 58 HG2 GLU 58 14.260 -5.132 1.678 444 HG3 GLU 58 HG1 GLU 58 15.072 -6.182 0.527 445 H LYS 59 HN LYS 59 13.737 -5.707 -0.826 446 HA LYS 59 HA LYS 59 15.071 -7.023 -2.937 447 HB2 LYS 59 HB2 LYS 59 13.757 -8.209 -1.225 448 HB3 LYS 59 HB1 LYS 59 12.290 -7.403 -1.756 449 HG2 LYS 59 HG2 LYS 59 12.221 -9.631 -2.598 450 HG3 LYS 59 HG1 LYS 59 12.526 -8.566 -3.975 451 HD2 LYS 59 HD2 LYS 59 14.977 -9.135 -3.791 452 HD3 LYS 59 HD1 LYS 59 14.569 -10.284 -2.506 453 HE2 LYS 59 HE2 LYS 59 13.711 -10.382 -5.413 454 HE3 LYS 59 HE1 LYS 59 14.769 -11.514 -4.570 455 HZ1 LYS 59 HZ1 LYS 59 12.854 -12.124 -3.170 456 HZ2 LYS 59 HZ2 LYS 59 12.602 -12.466 -4.803 457 HZ3 LYS 59 HZ3 LYS 59 11.860 -11.120 -4.097 458 H TRP 60 HN TRP 60 12.201 -4.959 -2.810 459 HA TRP 60 HA TRP 60 11.220 -5.346 -5.422 460 HB2 TRP 60 HB2 TRP 60 10.926 -2.950 -3.555 461 HB3 TRP 60 HB1 TRP 60 10.016 -3.157 -5.048 462 HD1 TRP 60 HD1 TRP 60 9.808 -6.517 -4.012 463 HE1 TRP 60 HE1 TRP 60 7.768 -6.986 -2.527 464 HE3 TRP 60 HE3 TRP 60 8.699 -1.727 -2.580 465 HZ2 TRP 60 HZ2 TRP 60 5.954 -5.557 -0.948 466 HZ3 TRP 60 HZ3 TRP 60 6.794 -1.368 -1.064 467 HH2 TRP 60 HH2 TRP 60 5.445 -3.250 -0.261 468 H THR 61 HN THR 61 13.478 -3.018 -4.017 469 HA THR 61 HA THR 61 14.040 -1.481 -6.319 470 HB THR 61 HB THR 61 15.806 -2.056 -3.896 471 HG1 THR 61 HG1 THR 61 13.564 -0.942 -3.798 472 HG21 THR 61 HG21 THR 61 16.954 0.075 -4.433 473 HG22 THR 61 HG22 THR 61 15.998 0.227 -5.909 474 HG23 THR 61 HG23 THR 61 17.155 -1.095 -5.738 475 H GLN 62 HN GLN 62 15.446 -4.561 -5.082 476 HA GLN 62 HA GLN 62 17.638 -4.695 -6.864 477 HB2 GLN 62 HB2 GLN 62 17.624 -5.990 -4.800 478 HB3 GLN 62 HB1 GLN 62 16.150 -6.825 -5.276 479 HG2 GLN 62 HG2 GLN 62 17.392 -7.936 -7.117 480 HG3 GLN 62 HG1 GLN 62 18.860 -7.092 -6.622 481 HE21 GLN 62 HE21 GLN 62 19.896 -9.085 -6.331 482 HE22 GLN 62 HE22 GLN 62 19.596 -10.079 -4.952 483 H GLU 63 HN GLU 63 14.383 -6.164 -6.927 484 HA GLU 63 HA GLU 63 14.555 -7.607 -9.285 485 HB2 GLU 63 HB2 GLU 63 12.126 -6.276 -8.026 486 HB3 GLU 63 HB1 GLU 63 12.038 -7.470 -9.317 487 HG2 GLU 63 HG2 GLU 63 13.214 -7.972 -6.561 488 HG3 GLU 63 HG1 GLU 63 11.576 -8.401 -7.054 489 H VAL 64 HN VAL 64 13.526 -4.237 -8.831 490 HA VAL 64 HA VAL 64 12.805 -3.767 -11.550 491 HB VAL 64 HB VAL 64 13.536 -1.747 -9.382 492 HG11 VAL 64 HG11 VAL 64 12.349 -0.078 -10.805 493 HG12 VAL 64 HG12 VAL 64 12.175 -1.286 -12.082 494 HG13 VAL 64 HG13 VAL 64 13.780 -0.719 -11.612 495 HG21 VAL 64 HG21 VAL 64 11.079 -1.454 -9.127 496 HG22 VAL 64 HG22 VAL 64 11.566 -3.114 -8.788 497 HG23 VAL 64 HG23 VAL 64 10.801 -2.723 -10.327 498 H ASN 65 HN ASN 65 15.748 -2.935 -9.690 499 HA ASN 65 HA ASN 65 17.117 -1.674 -11.838 500 HB2 ASN 65 HB2 ASN 65 17.960 -2.610 -9.077 501 HB3 ASN 65 HB1 ASN 65 19.187 -2.081 -10.225 502 HD21 ASN 65 HD21 ASN 65 16.286 -1.031 -8.477 503 HD22 ASN 65 HD22 ASN 65 16.649 0.651 -8.535 504 H ASP 66 HN ASP 66 17.036 -5.076 -10.797 505 HA ASP 66 HA ASP 66 19.108 -5.842 -12.710 506 HB2 ASP 66 HB2 ASP 66 19.005 -6.791 -10.384 507 HB3 ASP 66 HB1 ASP 66 17.456 -7.526 -10.769 508 H GLY 67 HN GLY 67 16.015 -5.000 -13.115 509 HA2 GLY 67 HA2 GLY 67 14.451 -5.302 -14.729 510 HA3 GLY 67 HA1 GLY 67 15.694 -6.119 -15.648 511 H LYS 68 HN LYS 68 14.786 -7.509 -12.613 512 HA LYS 68 HA LYS 68 13.510 -9.809 -13.829 513 HB2 LYS 68 HB2 LYS 68 13.912 -9.019 -10.924 514 HB3 LYS 68 HB1 LYS 68 13.242 -10.562 -11.453 515 HG2 LYS 68 HG2 LYS 68 16.052 -9.575 -12.073 516 HG3 LYS 68 HG1 LYS 68 15.625 -10.685 -10.776 517 HD2 LYS 68 HD2 LYS 68 16.336 -12.194 -12.399 518 HD3 LYS 68 HD1 LYS 68 14.609 -12.159 -12.736 519 HE2 LYS 68 HE2 LYS 68 15.889 -12.064 -14.828 520 HE3 LYS 68 HE1 LYS 68 15.022 -10.550 -14.590 521 HZ1 LYS 68 HZ1 LYS 68 17.298 -10.209 -15.345 522 HZ2 LYS 68 HZ2 LYS 68 17.883 -10.990 -13.967 523 HZ3 LYS 68 HZ3 LYS 68 17.054 -9.530 -13.813 524 H ALA 69 HN ALA 69 12.540 -6.828 -12.436 525 HA ALA 69 HA ALA 69 9.752 -7.259 -13.162 526 HB1 ALA 69 HB1 ALA 69 10.555 -6.379 -10.346 527 HB2 ALA 69 HB2 ALA 69 9.816 -7.924 -10.763 528 HB3 ALA 69 HB3 ALA 69 8.904 -6.431 -10.981 529 H THR 70 HN THR 70 8.622 -5.076 -12.753 530 HA THR 70 HA THR 70 10.411 -2.750 -13.107 531 HB THR 70 HB THR 70 8.234 -1.901 -14.505 532 HG1 THR 70 HG1 THR 70 7.179 -3.939 -14.267 533 HG21 THR 70 HG21 THR 70 9.379 -2.488 -16.608 534 HG22 THR 70 HG22 THR 70 10.419 -3.614 -15.734 535 HG23 THR 70 HG23 THR 70 10.529 -1.883 -15.409 536 H THR 71 HN THR 71 9.114 -0.672 -12.670 537 HA THR 71 HA THR 71 8.974 -0.700 -9.905 538 HB THR 71 HB THR 71 8.239 1.686 -10.038 539 HG1 THR 71 HG1 THR 71 8.427 1.839 -12.777 540 HG21 THR 71 HG21 THR 71 10.629 1.160 -10.282 541 HG22 THR 71 HG22 THR 71 10.188 2.550 -11.278 542 HG23 THR 71 HG23 THR 71 10.416 0.964 -12.021 543 H GLU 72 HN GLU 72 6.264 -0.279 -12.198 544 HA GLU 72 HA GLU 72 4.276 0.370 -10.395 545 HB2 GLU 72 HB2 GLU 72 2.668 -0.006 -12.154 546 HB3 GLU 72 HB1 GLU 72 4.127 0.675 -12.858 547 HG2 GLU 72 HG2 GLU 72 3.203 -2.213 -13.020 548 HG3 GLU 72 HG1 GLU 72 3.136 -1.013 -14.311 549 H GLN 73 HN GLN 73 5.296 -2.899 -11.299 550 HA GLN 73 HA GLN 73 3.260 -4.499 -10.299 551 HB2 GLN 73 HB2 GLN 73 6.262 -5.001 -10.235 552 HB3 GLN 73 HB1 GLN 73 5.054 -6.245 -9.910 553 HG2 GLN 73 HG2 GLN 73 4.214 -6.097 -12.179 554 HG3 GLN 73 HG1 GLN 73 5.247 -4.713 -12.516 555 HE21 GLN 73 HE21 GLN 73 6.271 -5.720 -14.246 556 HE22 GLN 73 HE22 GLN 73 7.375 -7.032 -14.040 557 H TYR 74 HN TYR 74 5.684 -2.756 -8.472 558 HA TYR 74 HA TYR 74 4.599 -3.806 -5.923 559 HB2 TYR 74 HB2 TYR 74 7.314 -2.516 -6.475 560 HB3 TYR 74 HB1 TYR 74 6.777 -3.183 -4.934 561 HD1 TYR 74 HD2 TYR 74 5.835 -5.754 -5.228 562 HD2 TYR 74 HD1 TYR 74 8.820 -3.894 -7.664 563 HE1 TYR 74 HE2 TYR 74 6.718 -7.962 -5.828 564 HE2 TYR 74 HE1 TYR 74 9.704 -6.110 -8.261 565 HH TYR 74 HH TYR 74 8.022 -9.003 -7.633 566 H PHE 75 HN PHE 75 5.093 -0.846 -7.831 567 HA PHE 75 HA PHE 75 4.704 0.828 -5.420 568 HB2 PHE 75 HB2 PHE 75 6.179 1.495 -8.008 569 HB3 PHE 75 HB1 PHE 75 6.020 2.558 -6.613 570 HD1 PHE 75 HD1 PHE 75 6.682 0.983 -4.303 571 HD2 PHE 75 HD2 PHE 75 8.414 0.784 -8.204 572 HE1 PHE 75 HE1 PHE 75 8.756 0.083 -3.351 573 HE2 PHE 75 HE2 PHE 75 10.484 -0.127 -7.240 574 HZ PHE 75 HZ PHE 75 10.656 -0.477 -4.807 575 H VAL 76 HN VAL 76 2.712 -0.336 -7.543 576 HA VAL 76 HA VAL 76 1.179 2.210 -7.805 577 HB VAL 76 HB VAL 76 0.798 -0.490 -9.184 578 HG11 VAL 76 HG11 VAL 76 -1.437 0.198 -8.428 579 HG12 VAL 76 HG12 VAL 76 -1.305 0.352 -10.181 580 HG13 VAL 76 HG13 VAL 76 -1.213 1.791 -9.158 581 HG21 VAL 76 HG21 VAL 76 2.321 1.093 -10.287 582 HG22 VAL 76 HG22 VAL 76 1.046 2.314 -10.313 583 HG23 VAL 76 HG23 VAL 76 0.863 0.825 -11.248 584 H LEU 77 HN LEU 77 -0.723 2.375 -6.671 585 HA LEU 77 HA LEU 77 -0.695 1.432 -4.095 586 HB2 LEU 77 HB2 LEU 77 -2.625 2.975 -5.760 587 HB3 LEU 77 HB1 LEU 77 -3.285 2.291 -4.293 588 HG LEU 77 HG LEU 77 -2.567 4.603 -3.966 589 HD11 LEU 77 HD11 LEU 77 -2.575 3.079 -2.067 590 HD12 LEU 77 HD12 LEU 77 -1.335 4.316 -1.902 591 HD13 LEU 77 HD13 LEU 77 -0.880 2.673 -2.362 592 HD21 LEU 77 HD21 LEU 77 -0.728 4.737 -5.573 593 HD22 LEU 77 HD22 LEU 77 0.263 3.681 -4.562 594 HD23 LEU 77 HD23 LEU 77 -0.213 5.280 -3.978 595 H LYS 78 HN LYS 78 -2.628 0.052 -6.759 596 HA LYS 78 HA LYS 78 -4.186 -1.714 -5.116 597 HB2 LYS 78 HB2 LYS 78 -4.782 -2.879 -7.239 598 HB3 LYS 78 HB1 LYS 78 -4.962 -1.134 -7.376 599 HG2 LYS 78 HG2 LYS 78 -2.815 -0.996 -8.577 600 HG3 LYS 78 HG1 LYS 78 -2.616 -2.742 -8.435 601 HD2 LYS 78 HD2 LYS 78 -4.609 -3.092 -9.838 602 HD3 LYS 78 HD1 LYS 78 -4.853 -1.345 -9.951 603 HE2 LYS 78 HE2 LYS 78 -2.684 -1.114 -11.128 604 HE3 LYS 78 HE1 LYS 78 -2.422 -2.856 -10.988 605 HZ1 LYS 78 HZ1 LYS 78 -3.267 -2.227 -13.170 606 HZ2 LYS 78 HZ2 LYS 78 -4.661 -1.578 -12.465 607 HZ3 LYS 78 HZ3 LYS 78 -4.355 -3.236 -12.358 608 H ASN 79 HN ASN 79 -1.151 -2.041 -6.870 609 HA ASN 79 HA ASN 79 -0.776 -4.864 -6.434 610 HB2 ASN 79 HB2 ASN 79 1.185 -2.729 -7.396 611 HB3 ASN 79 HB1 ASN 79 1.422 -4.469 -7.526 612 HD21 ASN 79 HD21 ASN 79 1.199 -2.259 -9.534 613 HD22 ASN 79 HD22 ASN 79 0.020 -2.799 -10.662 614 H LEU 80 HN LEU 80 0.232 -1.891 -4.979 615 HA LEU 80 HA LEU 80 2.300 -2.798 -3.267 616 HB2 LEU 80 HB2 LEU 80 2.068 -0.428 -3.978 617 HB3 LEU 80 HB1 LEU 80 0.527 -0.313 -3.153 618 HG LEU 80 HG LEU 80 1.653 -0.528 -0.958 619 HD11 LEU 80 HD11 LEU 80 4.110 -0.476 -0.769 620 HD12 LEU 80 HD12 LEU 80 4.256 -0.649 -2.520 621 HD13 LEU 80 HD13 LEU 80 3.545 -1.948 -1.557 622 HD21 LEU 80 HD21 LEU 80 2.789 1.657 -0.929 623 HD22 LEU 80 HD22 LEU 80 1.318 1.726 -1.895 624 HD23 LEU 80 HD23 LEU 80 2.892 1.645 -2.693 625 H ALA 81 HN ALA 81 -1.105 -1.864 -2.736 626 HA ALA 81 HA ALA 81 -1.386 -2.702 -0.068 627 HB1 ALA 81 HB1 ALA 81 -3.808 -2.585 -0.466 628 HB2 ALA 81 HB2 ALA 81 -3.531 -2.540 -2.209 629 HB3 ALA 81 HB3 ALA 81 -2.985 -1.205 -1.196 630 H ALA 82 HN ALA 82 -1.630 -4.503 -3.102 631 HA ALA 82 HA ALA 82 -2.672 -6.925 -2.076 632 HB1 ALA 82 HB1 ALA 82 -0.855 -6.519 -4.477 633 HB2 ALA 82 HB2 ALA 82 -2.617 -6.417 -4.490 634 HB3 ALA 82 HB3 ALA 82 -1.824 -7.956 -4.137 635 H ARG 83 HN ARG 83 0.744 -5.922 -2.723 636 HA ARG 83 HA ARG 83 2.080 -8.192 -1.803 637 HB2 ARG 83 HB2 ARG 83 3.076 -5.319 -1.491 638 HB3 ARG 83 HB1 ARG 83 4.073 -6.767 -1.405 639 HG2 ARG 83 HG2 ARG 83 2.652 -5.717 -3.873 640 HG3 ARG 83 HG1 ARG 83 4.366 -5.561 -3.519 641 HD2 ARG 83 HD2 ARG 83 4.184 -7.329 -5.106 642 HD3 ARG 83 HD1 ARG 83 4.486 -8.107 -3.554 643 HE ARG 83 HE ARG 83 2.363 -9.002 -3.569 644 HH11 ARG 83 HH11 ARG 83 2.660 -6.827 -6.342 645 HH12 ARG 83 HH12 ARG 83 1.211 -7.424 -7.089 646 HH21 ARG 83 HH21 ARG 83 0.479 -9.731 -4.557 647 HH22 ARG 83 HH22 ARG 83 -0.023 -9.062 -6.080 648 H ILE 84 HN ILE 84 1.164 -5.298 -0.042 649 HA ILE 84 HA ILE 84 2.218 -5.793 2.502 650 HB ILE 84 HB ILE 84 -0.207 -4.171 1.600 651 HG12 ILE 84 HG12 ILE 84 2.593 -3.177 2.292 652 HG13 ILE 84 HG11 ILE 84 2.096 -3.570 0.657 653 HG21 ILE 84 HG21 ILE 84 -0.051 -2.905 3.722 654 HG22 ILE 84 HG22 ILE 84 1.196 -4.013 4.295 655 HG23 ILE 84 HG23 ILE 84 -0.440 -4.602 4.002 656 HD11 ILE 84 HD11 ILE 84 2.057 -1.196 1.090 657 HD12 ILE 84 HD12 ILE 84 0.893 -1.434 2.392 658 HD13 ILE 84 HD13 ILE 84 0.443 -1.805 0.725 659 H ASP 85 HN ASP 85 -1.094 -6.337 1.269 660 HA ASP 85 HA ASP 85 -2.199 -7.423 3.627 661 HB2 ASP 85 HB2 ASP 85 -3.531 -6.423 1.803 662 HB3 ASP 85 HB1 ASP 85 -3.086 -7.745 0.733 663 H GLU 86 HN GLU 86 -0.578 -8.978 0.876 664 HA GLU 86 HA GLU 86 -1.122 -11.693 1.577 665 HB2 GLU 86 HB2 GLU 86 1.109 -10.462 -0.090 666 HB3 GLU 86 HB1 GLU 86 0.865 -12.202 0.065 667 HG2 GLU 86 HG2 GLU 86 -1.248 -12.086 -1.064 668 HG3 GLU 86 HG1 GLU 86 -1.253 -10.323 -1.013 669 H LEU 87 HN LEU 87 1.518 -9.448 2.386 670 HA LEU 87 HA LEU 87 3.093 -11.283 3.891 671 HB2 LEU 87 HB2 LEU 87 2.916 -8.256 4.131 672 HB3 LEU 87 HB1 LEU 87 4.164 -9.250 4.864 673 HG LEU 87 HG LEU 87 3.717 -8.962 1.868 674 HD11 LEU 87 HD11 LEU 87 5.759 -7.621 1.827 675 HD12 LEU 87 HD12 LEU 87 5.872 -7.707 3.587 676 HD13 LEU 87 HD13 LEU 87 4.518 -6.868 2.827 677 HD21 LEU 87 HD21 LEU 87 4.682 -11.143 2.440 678 HD22 LEU 87 HD22 LEU 87 5.973 -10.353 3.350 679 HD23 LEU 87 HD23 LEU 87 5.856 -10.132 1.601 680 H VAL 88 HN VAL 88 0.396 -9.143 4.761 681 HA VAL 88 HA VAL 88 0.471 -9.625 7.590 682 HB VAL 88 HB VAL 88 -1.872 -8.669 5.875 683 HG11 VAL 88 HG11 VAL 88 -2.803 -7.745 7.981 684 HG12 VAL 88 HG12 VAL 88 -1.467 -8.458 8.888 685 HG13 VAL 88 HG13 VAL 88 -2.638 -9.499 8.073 686 HG21 VAL 88 HG21 VAL 88 0.080 -7.149 5.686 687 HG22 VAL 88 HG22 VAL 88 0.155 -7.012 7.440 688 HG23 VAL 88 HG23 VAL 88 -1.240 -6.375 6.566 689 H ALA 89 HN ALA 89 -1.050 -11.193 4.837 690 HA ALA 89 HA ALA 89 -2.618 -13.102 6.242 691 HB1 ALA 89 HB1 ALA 89 -3.052 -12.546 3.886 692 HB2 ALA 89 HB2 ALA 89 -2.765 -14.277 4.083 693 HB3 ALA 89 HB3 ALA 89 -1.496 -13.240 3.426 694 H ALA 90 HN ALA 90 0.676 -13.087 4.961 695 HA ALA 90 HA ALA 90 1.412 -15.748 5.429 696 HB1 ALA 90 HB1 ALA 90 3.183 -13.283 5.339 697 HB2 ALA 90 HB2 ALA 90 2.661 -14.230 3.945 698 HB3 ALA 90 HB3 ALA 90 3.726 -14.954 5.153 699 H LYS 91 HN LYS 91 1.539 -12.877 7.538 700 HA LYS 91 HA LYS 91 2.959 -14.282 9.673 701 HB2 LYS 91 HB2 LYS 91 2.982 -12.210 10.857 702 HB3 LYS 91 HB1 LYS 91 3.278 -11.805 9.166 703 HG2 LYS 91 HG2 LYS 91 1.047 -10.962 8.881 704 HG3 LYS 91 HG1 LYS 91 0.538 -11.604 10.447 705 HD2 LYS 91 HD2 LYS 91 2.153 -10.033 11.545 706 HD3 LYS 91 HD1 LYS 91 2.496 -9.332 9.958 707 HE2 LYS 91 HE2 LYS 91 0.183 -8.588 9.753 708 HE3 LYS 91 HE1 LYS 91 -0.257 -9.410 11.254 709 HZ1 LYS 91 HZ1 LYS 91 0.074 -7.066 11.603 710 HZ2 LYS 91 HZ2 LYS 91 1.646 -7.164 10.994 711 HZ3 LYS 91 HZ3 LYS 91 1.249 -7.952 12.437 712 H GLY 92 HN GLY 92 -0.275 -13.835 8.617 713 HA2 GLY 92 HA2 GLY 92 -1.660 -14.275 11.107 714 HA3 GLY 92 HA1 GLY 92 -2.313 -14.444 9.481 715 H ALA 93 HN ALA 93 -0.071 -16.266 8.722 716 HA ALA 93 HA ALA 93 -1.142 -18.804 9.677 717 HB1 ALA 93 HB1 ALA 93 1.096 -18.214 7.698 718 HB2 ALA 93 HB2 ALA 93 -0.599 -18.486 7.286 719 HB3 ALA 93 HB3 ALA 93 0.358 -19.795 7.985 720 H LEU 94 HN LEU 94 1.194 -16.648 10.785 721 HA LEU 94 HA LEU 94 3.276 -18.475 11.591 722 HB2 LEU 94 HB2 LEU 94 3.621 -16.038 10.998 723 HB3 LEU 94 HB1 LEU 94 2.779 -15.604 12.473 724 HG LEU 94 HG LEU 94 4.600 -16.741 13.798 725 HD11 LEU 94 HD11 LEU 94 5.974 -17.019 11.109 726 HD12 LEU 94 HD12 LEU 94 5.385 -18.338 12.126 727 HD13 LEU 94 HD13 LEU 94 6.710 -17.323 12.684 728 HD21 LEU 94 HD21 LEU 94 6.299 -14.976 13.467 729 HD22 LEU 94 HD22 LEU 94 4.665 -14.312 13.473 730 HD23 LEU 94 HD23 LEU 94 5.527 -14.518 11.945 731 H GLU 95 HN GLU 95 1.471 -16.234 13.697 732 HA GLU 95 HA GLU 95 0.227 -18.239 15.303 733 HB2 GLU 95 HB2 GLU 95 1.482 -17.368 17.501 734 HB3 GLU 95 HB1 GLU 95 2.138 -18.688 16.556 735 HG2 GLU 95 HG2 GLU 95 3.954 -17.271 17.183 736 HG3 GLU 95 HG1 GLU 95 3.704 -17.080 15.452 737 H HIS 96 HN HIS 96 1.060 -14.875 14.751 738 HA HIS 96 HA HIS 96 -1.286 -13.867 16.142 739 HB2 HIS 96 HB2 HIS 96 0.789 -12.574 14.345 740 HB3 HIS 96 HB1 HIS 96 -0.639 -11.695 14.886 741 HD1 HIS 96 HD1 HIS 96 2.757 -12.247 15.827 742 HD2 HIS 96 HD2 HIS 96 -0.810 -11.822 17.909 743 HE1 HIS 96 HE1 HIS 96 3.413 -11.570 18.160 744 HE2 HIS 96 HE2 HIS 96 1.235 -11.195 19.354 745 H HIS 97 HN HIS 97 -2.654 -12.244 14.580 746 HA HIS 97 HA HIS 97 -3.704 -13.942 12.382 747 HB2 HIS 97 HB2 HIS 97 -5.311 -12.346 14.438 748 HB3 HIS 97 HB1 HIS 97 -6.001 -13.227 13.078 749 HD1 HIS 97 HD1 HIS 97 -4.074 -13.898 16.293 750 HD2 HIS 97 HD2 HIS 97 -6.546 -15.865 13.595 751 HE1 HIS 97 HE1 HIS 97 -4.461 -16.180 17.273 752 HE2 HIS 97 HE2 HIS 97 -6.016 -17.322 15.659 753 H HIS 98 HN HIS 98 -4.927 -10.779 13.422 754 HA HIS 98 HA HIS 98 -5.150 -8.766 12.468 755 HB2 HIS 98 HB2 HIS 98 -2.281 -9.391 11.727 756 HB3 HIS 98 HB1 HIS 98 -2.997 -7.817 11.403 757 HD1 HIS 98 HD1 HIS 98 -3.280 -6.220 13.370 758 HD2 HIS 98 HD2 HIS 98 -1.888 -9.966 14.494 759 HE1 HIS 98 HE1 HIS 98 -2.562 -5.976 15.758 760 HE2 HIS 98 HE2 HIS 98 -1.546 -8.195 16.344 761 H HIS 99 HN HIS 99 -5.957 -11.073 10.727 762 HA HIS 99 HA HIS 99 -5.353 -10.405 7.999 763 HB2 HIS 99 HB2 HIS 99 -7.459 -12.215 9.236 764 HB3 HIS 99 HB1 HIS 99 -7.302 -12.002 7.494 765 HD1 HIS 99 HD1 HIS 99 -6.697 -14.576 9.479 766 HD2 HIS 99 HD2 HIS 99 -4.048 -12.303 7.250 767 HE1 HIS 99 HE1 HIS 99 -4.777 -16.104 8.973 768 HE2 HIS 99 HE2 HIS 99 -3.297 -14.771 7.443 769 H HIS 100 HN HIS 100 -7.408 -8.957 10.257 770 HA HIS 100 HA HIS 100 -8.990 -7.374 10.229 771 HB2 HIS 100 HB2 HIS 100 -7.730 -6.064 8.649 772 HB3 HIS 100 HB1 HIS 100 -8.150 -7.124 7.315 773 HD1 HIS 100 HD1 HIS 100 -9.928 -6.226 5.819 774 HD2 HIS 100 HD2 HIS 100 -10.196 -4.640 9.652 775 HE1 HIS 100 HE1 HIS 100 -11.775 -4.528 5.718 776 HE2 HIS 100 HE2 HIS 100 -11.773 -3.453 7.989 777 H HIS 101 HN HIS 101 -9.702 -8.519 6.947 778 HA HIS 101 HA HIS 101 -11.759 -10.306 7.366 779 HB2 HIS 101 HB2 HIS 101 -12.956 -8.450 8.542 780 HB3 HIS 101 HB1 HIS 101 -12.801 -7.434 7.114 781 HD1 HIS 101 HD1 HIS 101 -14.561 -7.691 5.328 782 HD2 HIS 101 HD2 HIS 101 -14.761 -10.688 8.198 783 HE1 HIS 101 HE1 HIS 101 -16.685 -8.932 4.852 784 HE2 HIS 101 HE2 HIS 101 -16.666 -10.866 6.455
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