NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
637997 | 5zsw | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 8.081 -11.534 9.134 2 HA2 GLY 1 HA2 GLY 1 7.534 -9.161 9.045 3 HA3 GLY 1 HA3 GLY 1 9.155 -9.454 8.404 4 H HIS 2 H HIS 2 9.534 -9.156 6.187 5 HA HIS 2 HA HIS 2 7.893 -7.115 5.044 6 HB2 HIS 2 HB2 HIS 2 10.224 -8.604 3.800 7 HB3 HIS 2 HB3 HIS 2 9.657 -6.998 3.393 8 HD1 HIS 2 HD1 HIS 2 9.712 -5.396 6.091 9 HD2 HIS 2 HD2 HIS 2 12.384 -8.561 5.156 10 HE1 HIS 2 HE1 HIS 2 11.583 -5.277 7.778 11 H MET 3 H MET 3 8.267 -10.541 4.162 12 HA MET 3 HA MET 3 7.445 -11.775 2.459 13 HB2 MET 3 HB2 MET 3 4.896 -10.363 3.323 14 HB3 MET 3 HB3 MET 3 5.031 -11.900 2.460 15 HG2 MET 3 HG2 MET 3 6.637 -12.462 4.549 16 HG3 MET 3 HG3 MET 3 5.546 -11.326 5.322 17 HE1 MET 3 HE1 MET 3 2.863 -12.223 3.294 18 HE2 MET 3 HE2 MET 3 2.080 -13.364 4.392 19 HE3 MET 3 HE3 MET 3 2.649 -11.820 5.000 20 H ASP 4 H ASP 4 8.297 -8.976 1.356 21 HA ASP 4 HA ASP 4 8.557 -8.209 -0.773 22 HB2 ASP 4 HB2 ASP 4 7.991 -10.883 -1.251 23 HB3 ASP 4 HB3 ASP 4 6.683 -10.126 -2.104 24 H THR 5 H THR 5 6.330 -7.446 1.251 25 HA THR 5 HA THR 5 4.753 -5.919 -0.663 26 HB THR 5 HB THR 5 3.462 -7.948 1.210 27 HG1 THR 5 HG1 THR 5 4.384 -8.265 -1.218 28 HG21 THR 5 HG21 THR 5 2.098 -6.252 -0.908 29 HG22 THR 5 HG22 THR 5 2.026 -5.901 0.844 30 HG23 THR 5 HG23 THR 5 1.354 -7.407 0.199 31 H ILE 6 H ILE 6 3.938 -4.089 0.222 32 HA ILE 6 HA ILE 6 4.438 -3.584 3.128 33 HB ILE 6 HB ILE 6 4.553 -1.582 0.858 34 HG12 ILE 6 HG12 ILE 6 6.891 -2.821 2.393 35 HG13 ILE 6 HG13 ILE 6 6.492 -3.155 0.718 36 HG21 ILE 6 HG21 ILE 6 5.483 -0.061 2.584 37 HG22 ILE 6 HG22 ILE 6 3.929 -0.672 3.133 38 HG23 ILE 6 HG23 ILE 6 5.443 -1.354 3.779 39 HD11 ILE 6 HD11 ILE 6 8.304 -1.619 0.698 40 HD12 ILE 6 HD12 ILE 6 6.867 -0.730 0.174 41 HD13 ILE 6 HD13 ILE 6 7.512 -0.518 1.819 42 H ILE 7 H ILE 7 2.700 -2.916 4.209 43 HA ILE 7 HA ILE 7 0.068 -3.012 2.936 44 HB ILE 7 HB ILE 7 0.797 -3.042 5.879 45 HG12 ILE 7 HG12 ILE 7 0.048 -5.266 3.933 46 HG13 ILE 7 HG13 ILE 7 1.486 -5.098 4.911 47 HG21 ILE 7 HG21 ILE 7 -1.385 -1.951 5.383 48 HG22 ILE 7 HG22 ILE 7 -1.861 -3.400 4.455 49 HG23 ILE 7 HG23 ILE 7 -1.614 -3.464 6.222 50 HD11 ILE 7 HD11 ILE 7 -1.332 -5.647 5.968 51 HD12 ILE 7 HD12 ILE 7 -0.014 -6.800 5.875 52 HD13 ILE 7 HD13 ILE 7 0.122 -5.419 6.983 53 H LEU 8 H LEU 8 -0.380 -1.138 2.083 54 HA LEU 8 HA LEU 8 0.239 1.479 3.260 55 HB2 LEU 8 HB2 LEU 8 -1.646 0.609 1.011 56 HB3 LEU 8 HB3 LEU 8 -1.504 2.232 1.583 57 HG LEU 8 HG LEU 8 0.798 2.444 1.015 58 HD11 LEU 8 HD11 LEU 8 1.871 0.688 -0.472 59 HD12 LEU 8 HD12 LEU 8 0.673 -0.464 0.184 60 HD13 LEU 8 HD13 LEU 8 1.831 0.346 1.252 61 HD21 LEU 8 HD21 LEU 8 -0.958 1.349 -1.222 62 HD22 LEU 8 HD22 LEU 8 0.485 2.357 -1.454 63 HD23 LEU 8 HD23 LEU 8 -0.899 3.010 -0.582 64 H ARG 9 H ARG 9 -0.614 1.127 5.399 65 HA ARG 9 HA ARG 9 -3.399 0.430 5.883 66 HB2 ARG 9 HB2 ARG 9 -1.010 0.771 7.392 67 HB3 ARG 9 HB3 ARG 9 -2.100 2.048 7.955 68 HG2 ARG 9 HG2 ARG 9 -3.247 -0.672 7.808 69 HG3 ARG 9 HG3 ARG 9 -1.928 -0.446 8.935 70 HD2 ARG 9 HD2 ARG 9 -3.297 1.692 9.711 71 HD3 ARG 9 HD3 ARG 9 -4.657 0.822 8.973 72 HE ARG 9 HE ARG 9 -2.970 -0.735 10.779 73 HH11 ARG 9 HH11 ARG 9 -5.763 1.438 10.674 74 HH12 ARG 9 HH12 ARG 9 -6.320 1.014 12.251 75 HH21 ARG 9 HH21 ARG 9 -3.797 -1.413 12.847 76 HH22 ARG 9 HH22 ARG 9 -5.345 -0.860 13.347 77 H ASN 10 H ASN 10 -4.832 2.077 7.031 78 HA ASN 10 HA ASN 10 -6.008 3.985 7.131 79 HB2 ASN 10 HB2 ASN 10 -3.291 5.126 6.705 80 HB3 ASN 10 HB3 ASN 10 -4.626 6.178 6.288 81 HD21 ASN 10 HD21 ASN 10 -2.587 6.306 8.458 82 HD22 ASN 10 HD22 ASN 10 -3.480 6.380 9.920 83 H LEU 11 H LEU 11 -5.742 2.295 4.705 84 HA LEU 11 HA LEU 11 -5.963 4.036 2.440 85 HB2 LEU 11 HB2 LEU 11 -5.284 1.419 2.814 86 HB3 LEU 11 HB3 LEU 11 -6.910 1.218 2.243 87 HG LEU 11 HG LEU 11 -5.287 1.093 0.456 88 HD11 LEU 11 HD11 LEU 11 -6.413 2.484 -1.148 89 HD12 LEU 11 HD12 LEU 11 -6.786 3.730 0.066 90 HD13 LEU 11 HD13 LEU 11 -7.623 2.186 0.097 91 HD21 LEU 11 HD21 LEU 11 -3.712 2.601 -0.129 92 HD22 LEU 11 HD22 LEU 11 -3.694 2.754 1.625 93 HD23 LEU 11 HD23 LEU 11 -4.531 3.975 0.646 94 H ASN 12 H ASN 12 -7.615 5.420 2.787 95 HA ASN 12 HA ASN 12 -10.028 5.189 3.865 96 HB2 ASN 12 HB2 ASN 12 -9.022 7.286 2.878 97 HB3 ASN 12 HB3 ASN 12 -9.579 6.730 1.313 98 HD21 ASN 12 HD21 ASN 12 -11.457 7.689 0.701 99 HD22 ASN 12 HD22 ASN 12 -12.789 8.019 1.788 100 HA PRO 13 HA PRO 13 -12.484 2.342 1.473 101 HB2 PRO 13 HB2 PRO 13 -15.049 3.314 1.966 102 HB3 PRO 13 HB3 PRO 13 -14.088 2.258 3.059 103 HG2 PRO 13 HG2 PRO 13 -14.322 5.280 3.080 104 HG3 PRO 13 HG3 PRO 13 -14.435 4.160 4.452 105 HD2 PRO 13 HD2 PRO 13 -12.179 5.422 4.017 106 HD3 PRO 13 HD3 PRO 13 -12.057 3.683 4.318 107 H HIS 14 H HIS 14 -12.744 5.714 0.705 108 HA HIS 14 HA HIS 14 -13.626 4.934 -2.052 109 HB2 HIS 14 HB2 HIS 14 -14.097 7.532 -0.553 110 HB3 HIS 14 HB3 HIS 14 -14.567 7.217 -2.205 111 HD1 HIS 14 HD1 HIS 14 -17.065 6.621 -2.415 112 HD2 HIS 14 HD2 HIS 14 -15.341 5.705 1.291 113 HE1 HIS 14 HE1 HIS 14 -18.938 5.661 -0.956 114 H SER 15 H SER 15 -10.703 5.474 -0.745 115 HA SER 15 HA SER 15 -9.830 7.645 -2.522 116 HB2 SER 15 HB2 SER 15 -8.361 5.596 -0.842 117 HB3 SER 15 HB3 SER 15 -7.554 6.607 -2.051 118 HG SER 15 HG SER 15 -9.130 8.146 -0.499 119 H THR 16 H THR 16 -8.893 7.452 -4.499 120 HA THR 16 HA THR 16 -9.404 5.071 -6.070 121 HB THR 16 HB THR 16 -8.270 6.530 -7.834 122 HG1 THR 16 HG1 THR 16 -8.793 8.732 -6.152 123 HG21 THR 16 HG21 THR 16 -10.774 7.594 -6.438 124 HG22 THR 16 HG22 THR 16 -10.713 6.321 -7.669 125 HG23 THR 16 HG23 THR 16 -10.261 7.976 -8.100 126 H MET 17 H MET 17 -8.118 3.400 -5.842 127 HA MET 17 HA MET 17 -5.603 3.327 -4.664 128 HB2 MET 17 HB2 MET 17 -5.232 1.224 -5.715 129 HB3 MET 17 HB3 MET 17 -6.921 1.332 -5.254 130 HG2 MET 17 HG2 MET 17 -6.905 2.264 -7.909 131 HG3 MET 17 HG3 MET 17 -5.688 1.056 -7.825 132 HE1 MET 17 HE1 MET 17 -9.357 1.867 -8.191 133 HE2 MET 17 HE2 MET 17 -10.234 0.454 -7.577 134 HE3 MET 17 HE3 MET 17 -9.429 1.554 -6.433 135 H ASP 18 H ASP 18 -6.486 4.280 -7.965 136 HA ASP 18 HA ASP 18 -3.977 4.020 -9.197 137 HB2 ASP 18 HB2 ASP 18 -6.426 4.448 -10.085 138 HB3 ASP 18 HB3 ASP 18 -5.939 6.143 -10.065 139 H SER 19 H SER 19 -5.328 6.823 -7.299 140 HA SER 19 HA SER 19 -3.013 8.499 -8.009 141 HB2 SER 19 HB2 SER 19 -5.293 8.760 -6.002 142 HB3 SER 19 HB3 SER 19 -3.991 9.960 -6.204 143 HG SER 19 HG SER 19 -4.716 10.507 -8.123 144 H ILE 20 H ILE 20 -4.005 6.296 -5.410 145 HA ILE 20 HA ILE 20 -1.779 6.890 -3.620 146 HB ILE 20 HB ILE 20 -3.529 4.445 -3.864 147 HG12 ILE 20 HG12 ILE 20 -3.827 6.625 -1.798 148 HG13 ILE 20 HG13 ILE 20 -4.695 6.726 -3.322 149 HG21 ILE 20 HG21 ILE 20 -2.789 4.180 -1.405 150 HG22 ILE 20 HG22 ILE 20 -1.548 3.885 -2.614 151 HG23 ILE 20 HG23 ILE 20 -1.573 5.423 -1.729 152 HD11 ILE 20 HD11 ILE 20 -4.918 4.167 -1.769 153 HD12 ILE 20 HD12 ILE 20 -5.808 5.597 -1.236 154 HD13 ILE 20 HD13 ILE 20 -6.066 4.926 -2.869 155 H LEU 21 H LEU 21 -2.144 4.761 -6.494 156 HA LEU 21 HA LEU 21 -0.177 2.910 -5.850 157 HB2 LEU 21 HB2 LEU 21 -1.320 3.819 -8.513 158 HB3 LEU 21 HB3 LEU 21 0.029 2.732 -8.513 159 HG LEU 21 HG LEU 21 -2.630 2.089 -7.205 160 HD11 LEU 21 HD11 LEU 21 -3.071 0.602 -9.057 161 HD12 LEU 21 HD12 LEU 21 -1.539 0.996 -9.824 162 HD13 LEU 21 HD13 LEU 21 -2.816 2.225 -9.675 163 HD21 LEU 21 HD21 LEU 21 -0.520 0.927 -6.290 164 HD22 LEU 21 HD22 LEU 21 -0.433 0.121 -7.866 165 HD23 LEU 21 HD23 LEU 21 -1.860 -0.061 -6.821 166 H GLY 22 H GLY 22 0.491 5.563 -8.260 167 HA2 GLY 22 HA2 GLY 22 3.292 4.943 -8.193 168 HA3 GLY 22 HA3 GLY 22 2.552 6.420 -8.837 169 H ALA 23 H ALA 23 1.198 7.179 -6.348 170 HA ALA 23 HA ALA 23 3.187 8.691 -5.053 171 HB1 ALA 23 HB1 ALA 23 0.451 7.898 -3.988 172 HB2 ALA 23 HB2 ALA 23 1.437 9.288 -3.491 173 HB3 ALA 23 HB3 ALA 23 0.764 9.225 -5.127 174 H LEU 24 H LEU 24 2.446 5.315 -4.574 175 HA LEU 24 HA LEU 24 4.365 5.399 -2.327 176 HB2 LEU 24 HB2 LEU 24 1.608 4.643 -2.099 177 HB3 LEU 24 HB3 LEU 24 2.484 3.167 -2.105 178 HG LEU 24 HG LEU 24 2.356 3.686 0.155 179 HD11 LEU 24 HD11 LEU 24 4.474 4.389 1.093 180 HD12 LEU 24 HD12 LEU 24 4.991 5.096 -0.410 181 HD13 LEU 24 HD13 LEU 24 4.758 3.337 -0.317 182 HD21 LEU 24 HD21 LEU 24 2.888 6.583 -0.496 183 HD22 LEU 24 HD22 LEU 24 2.576 5.935 1.128 184 HD23 LEU 24 HD23 LEU 24 1.320 5.851 -0.122 185 H ALA 25 H ALA 25 4.281 4.659 -5.367 186 HA ALA 25 HA ALA 25 5.934 2.208 -5.063 187 HB1 ALA 25 HB1 ALA 25 4.750 1.045 -6.820 188 HB2 ALA 25 HB2 ALA 25 3.610 1.461 -5.515 189 HB3 ALA 25 HB3 ALA 25 3.654 2.401 -7.033 190 HA PRO 26 HA PRO 26 7.694 5.168 -8.222 191 HB2 PRO 26 HB2 PRO 26 10.053 5.764 -6.922 192 HB3 PRO 26 HB3 PRO 26 8.566 6.750 -6.790 193 HG2 PRO 26 HG2 PRO 26 9.577 4.636 -4.917 194 HG3 PRO 26 HG3 PRO 26 8.906 6.252 -4.522 195 HD2 PRO 26 HD2 PRO 26 7.392 3.969 -4.368 196 HD3 PRO 26 HD3 PRO 26 6.710 5.539 -4.890 197 H TYR 27 H TYR 27 8.783 2.415 -6.323 198 HA TYR 27 HA TYR 27 10.648 1.583 -8.515 199 HB2 TYR 27 HB2 TYR 27 10.878 0.976 -5.528 200 HB3 TYR 27 HB3 TYR 27 11.916 0.421 -6.798 201 HD1 TYR 27 HD1 TYR 27 11.199 3.135 -4.541 202 HD2 TYR 27 HD2 TYR 27 13.405 2.034 -8.059 203 HE1 TYR 27 HE1 TYR 27 12.580 5.142 -4.264 204 HE2 TYR 27 HE2 TYR 27 14.844 4.023 -7.795 205 HH TYR 27 HH TYR 27 15.272 5.937 -6.555 206 H ALA 28 H ALA 28 7.987 0.626 -6.485 207 HA ALA 28 HA ALA 28 8.176 -2.245 -7.073 208 HB1 ALA 28 HB1 ALA 28 5.942 -2.336 -6.027 209 HB2 ALA 28 HB2 ALA 28 7.112 -1.511 -4.985 210 HB3 ALA 28 HB3 ALA 28 5.909 -0.574 -5.891 211 H VAL 29 H VAL 29 7.643 -3.089 -8.990 212 HA VAL 29 HA VAL 29 6.826 -1.235 -11.000 213 HB VAL 29 HB VAL 29 7.635 -4.085 -11.544 214 HG11 VAL 29 HG11 VAL 29 8.656 -3.023 -13.500 215 HG12 VAL 29 HG12 VAL 29 6.955 -2.493 -13.351 216 HG13 VAL 29 HG13 VAL 29 8.261 -1.413 -12.853 217 HG21 VAL 29 HG21 VAL 29 9.309 -3.424 -9.879 218 HG22 VAL 29 HG22 VAL 29 10.005 -3.423 -11.492 219 HG23 VAL 29 HG23 VAL 29 9.561 -1.876 -10.741 220 H LEU 30 H LEU 30 4.583 -1.292 -9.976 221 HA LEU 30 HA LEU 30 2.947 -3.636 -10.965 222 HB2 LEU 30 HB2 LEU 30 1.847 -1.975 -8.782 223 HB3 LEU 30 HB3 LEU 30 1.702 -3.697 -9.065 224 HG LEU 30 HG LEU 30 4.113 -2.261 -7.886 225 HD11 LEU 30 HD11 LEU 30 3.434 -3.098 -5.787 226 HD12 LEU 30 HD12 LEU 30 2.114 -4.057 -6.486 227 HD13 LEU 30 HD13 LEU 30 2.038 -2.274 -6.496 228 HD21 LEU 30 HD21 LEU 30 5.034 -4.412 -7.292 229 HD22 LEU 30 HD22 LEU 30 4.733 -4.456 -9.032 230 HD23 LEU 30 HD23 LEU 30 3.627 -5.271 -7.921 231 H SER 31 H SER 31 0.495 -3.117 -11.131 232 HA SER 31 HA SER 31 -0.131 -0.350 -11.900 233 HB2 SER 31 HB2 SER 31 -0.652 -2.515 -13.980 234 HB3 SER 31 HB3 SER 31 -0.895 -0.785 -14.117 235 HG SER 31 HG SER 31 1.175 -0.501 -14.495 236 H SER 32 H SER 32 -1.365 -3.703 -12.204 237 HA SER 32 HA SER 32 -3.838 -2.890 -10.795 238 HB2 SER 32 HB2 SER 32 -3.638 -3.089 -13.575 239 HB3 SER 32 HB3 SER 32 -4.296 -4.643 -13.136 240 HG SER 32 HG SER 32 -5.932 -3.548 -11.978 241 H SER 33 H SER 33 -1.923 -5.697 -12.200 242 HA SER 33 HA SER 33 -3.440 -7.700 -10.939 243 HB2 SER 33 HB2 SER 33 -0.528 -7.732 -11.836 244 HB3 SER 33 HB3 SER 33 -1.600 -9.127 -11.648 245 HG SER 33 HG SER 33 -1.313 -8.457 -13.768 246 H ASN 34 H ASN 34 -2.097 -5.649 -9.082 247 HA ASN 34 HA ASN 34 -1.338 -7.612 -6.975 248 HB2 ASN 34 HB2 ASN 34 0.160 -5.094 -7.798 249 HB3 ASN 34 HB3 ASN 34 0.272 -5.745 -6.157 250 HD21 ASN 34 HD21 ASN 34 1.599 -6.075 -9.340 251 HD22 ASN 34 HD22 ASN 34 2.515 -7.491 -8.958 252 H VAL 35 H VAL 35 -3.411 -5.068 -7.876 253 HA VAL 35 HA VAL 35 -2.949 -3.464 -5.492 254 HB VAL 35 HB VAL 35 -4.849 -3.013 -7.836 255 HG11 VAL 35 HG11 VAL 35 -5.396 -1.633 -5.894 256 HG12 VAL 35 HG12 VAL 35 -3.685 -1.202 -5.662 257 HG13 VAL 35 HG13 VAL 35 -4.566 -0.637 -7.097 258 HG21 VAL 35 HG21 VAL 35 -2.568 -3.225 -8.707 259 HG22 VAL 35 HG22 VAL 35 -3.007 -1.534 -8.674 260 HG23 VAL 35 HG23 VAL 35 -1.937 -2.202 -7.419 261 H ARG 36 H ARG 36 -3.666 -4.706 -3.819 262 HA ARG 36 HA ARG 36 -6.565 -5.434 -3.840 263 HB2 ARG 36 HB2 ARG 36 -4.654 -7.247 -4.056 264 HB3 ARG 36 HB3 ARG 36 -4.426 -6.986 -2.353 265 HG2 ARG 36 HG2 ARG 36 -5.921 -8.800 -2.441 266 HG3 ARG 36 HG3 ARG 36 -6.969 -7.419 -2.081 267 HD2 ARG 36 HD2 ARG 36 -8.023 -8.780 -3.805 268 HD3 ARG 36 HD3 ARG 36 -7.564 -7.244 -4.528 269 HE ARG 36 HE ARG 36 -6.020 -8.299 -5.835 270 HH11 ARG 36 HH11 ARG 36 -7.151 -10.686 -3.452 271 HH12 ARG 36 HH12 ARG 36 -6.204 -11.983 -4.129 272 HH21 ARG 36 HH21 ARG 36 -4.821 -10.031 -6.743 273 HH22 ARG 36 HH22 ARG 36 -4.846 -11.588 -6.028 274 H VAL 37 H VAL 37 -7.437 -3.702 -2.636 275 HA VAL 37 HA VAL 37 -6.200 -3.150 -0.043 276 HB VAL 37 HB VAL 37 -8.725 -1.833 -0.936 277 HG11 VAL 37 HG11 VAL 37 -7.596 0.041 0.311 278 HG12 VAL 37 HG12 VAL 37 -7.870 -1.393 1.328 279 HG13 VAL 37 HG13 VAL 37 -6.269 -1.020 0.661 280 HG21 VAL 37 HG21 VAL 37 -5.972 -0.853 -1.852 281 HG22 VAL 37 HG22 VAL 37 -7.219 -1.471 -2.927 282 HG23 VAL 37 HG23 VAL 37 -7.517 0.006 -2.006 283 H ILE 38 H ILE 38 -7.113 -5.761 -0.448 284 HA ILE 38 HA ILE 38 -8.498 -7.429 0.187 285 HB ILE 38 HB ILE 38 -8.529 -5.889 2.792 286 HG12 ILE 38 HG12 ILE 38 -6.263 -5.721 2.119 287 HG13 ILE 38 HG13 ILE 38 -6.362 -6.971 3.346 288 HG21 ILE 38 HG21 ILE 38 -9.789 -7.977 3.002 289 HG22 ILE 38 HG22 ILE 38 -8.453 -8.897 2.302 290 HG23 ILE 38 HG23 ILE 38 -8.282 -8.099 3.884 291 HD11 ILE 38 HD11 ILE 38 -6.036 -7.386 0.341 292 HD12 ILE 38 HD12 ILE 38 -4.864 -7.702 1.628 293 HD13 ILE 38 HD13 ILE 38 -6.305 -8.712 1.505 294 H LYS 39 H LYS 39 -9.829 -5.328 -1.154 295 HA LYS 39 HA LYS 39 -11.934 -4.208 0.133 296 HB2 LYS 39 HB2 LYS 39 -12.838 -3.597 -2.075 297 HB3 LYS 39 HB3 LYS 39 -11.119 -3.330 -1.921 298 HG2 LYS 39 HG2 LYS 39 -11.084 -4.318 -3.987 299 HG3 LYS 39 HG3 LYS 39 -11.149 -5.796 -3.055 300 HD2 LYS 39 HD2 LYS 39 -13.583 -5.923 -3.338 301 HD3 LYS 39 HD3 LYS 39 -13.575 -4.352 -4.182 302 HE2 LYS 39 HE2 LYS 39 -12.020 -5.371 -5.893 303 HE3 LYS 39 HE3 LYS 39 -12.232 -6.932 -5.087 304 HZ1 LYS 39 HZ1 LYS 39 -14.597 -6.790 -5.570 305 HZ2 LYS 39 HZ2 LYS 39 -13.738 -6.664 -6.971 306 HZ3 LYS 39 HZ3 LYS 39 -14.388 -5.327 -6.289 307 H ASP 40 H ASP 40 -14.167 -4.345 0.113 308 HA ASP 40 HA ASP 40 -14.876 -7.046 0.761 309 HB2 ASP 40 HB2 ASP 40 -15.542 -4.876 1.973 310 HB3 ASP 40 HB3 ASP 40 -16.824 -4.746 0.736 311 H LYS 41 H LYS 41 -17.602 -7.164 0.229 312 HA LYS 41 HA LYS 41 -17.895 -7.586 -2.680 313 HB2 LYS 41 HB2 LYS 41 -18.891 -9.860 -1.906 314 HB3 LYS 41 HB3 LYS 41 -17.152 -9.744 -2.184 315 HG2 LYS 41 HG2 LYS 41 -18.332 -9.313 0.551 316 HG3 LYS 41 HG3 LYS 41 -18.142 -10.956 -0.043 317 HD2 LYS 41 HD2 LYS 41 -15.675 -9.295 -0.313 318 HD3 LYS 41 HD3 LYS 41 -16.207 -9.556 1.355 319 HE2 LYS 41 HE2 LYS 41 -16.070 -11.908 1.157 320 HE3 LYS 41 HE3 LYS 41 -15.945 -11.845 -0.606 321 HZ1 LYS 41 HZ1 LYS 41 -13.782 -11.060 -0.493 322 HZ2 LYS 41 HZ2 LYS 41 -13.848 -12.271 0.588 323 HZ3 LYS 41 HZ3 LYS 41 -13.826 -10.705 1.126 324 H GLN 42 H GLN 42 -19.176 -7.184 0.537 325 HA GLN 42 HA GLN 42 -22.010 -7.153 -0.322 326 HB2 GLN 42 HB2 GLN 42 -20.758 -6.669 2.428 327 HB3 GLN 42 HB3 GLN 42 -22.466 -6.844 2.065 328 HG2 GLN 42 HG2 GLN 42 -22.400 -9.073 2.101 329 HG3 GLN 42 HG3 GLN 42 -21.033 -9.181 1.035 330 HE21 GLN 42 HE21 GLN 42 -19.018 -7.787 2.793 331 HE22 GLN 42 HE22 GLN 42 -18.834 -8.828 4.165 332 H THR 43 H THR 43 -19.496 -5.022 1.201 333 HA THR 43 HA THR 43 -21.221 -2.692 0.531 334 HB THR 43 HB THR 43 -20.488 -3.019 2.867 335 HG1 THR 43 HG1 THR 43 -20.883 -1.016 2.453 336 HG21 THR 43 HG21 THR 43 -17.684 -2.756 1.748 337 HG22 THR 43 HG22 THR 43 -18.373 -4.077 2.727 338 HG23 THR 43 HG23 THR 43 -18.097 -2.504 3.437 339 H GLN 44 H GLN 44 -18.471 -4.289 -0.749 340 HA GLN 44 HA GLN 44 -16.828 -3.805 -2.226 341 HB2 GLN 44 HB2 GLN 44 -18.829 -1.812 -3.355 342 HB3 GLN 44 HB3 GLN 44 -17.423 -2.464 -4.190 343 HG2 GLN 44 HG2 GLN 44 -19.856 -4.052 -3.294 344 HG3 GLN 44 HG3 GLN 44 -19.478 -3.524 -4.936 345 HE21 GLN 44 HE21 GLN 44 -19.980 -6.169 -4.537 346 HE22 GLN 44 HE22 GLN 44 -18.512 -7.140 -4.522 347 H LEU 45 H LEU 45 -16.203 -2.662 0.131 348 HA LEU 45 HA LEU 45 -15.121 0.038 -0.571 349 HB2 LEU 45 HB2 LEU 45 -15.663 -1.181 2.159 350 HB3 LEU 45 HB3 LEU 45 -14.988 0.409 1.862 351 HG LEU 45 HG LEU 45 -17.782 -0.480 1.074 352 HD11 LEU 45 HD11 LEU 45 -16.873 1.384 3.296 353 HD12 LEU 45 HD12 LEU 45 -17.579 -0.264 3.474 354 HD13 LEU 45 HD13 LEU 45 -18.555 1.029 2.826 355 HD21 LEU 45 HD21 LEU 45 -17.278 1.066 -0.516 356 HD22 LEU 45 HD22 LEU 45 -16.247 2.054 0.546 357 HD23 LEU 45 HD23 LEU 45 -18.012 2.096 0.721 358 H ASN 46 H ASN 46 -13.043 0.486 0.055 359 HA ASN 46 HA ASN 46 -11.047 -1.616 0.137 360 HB2 ASN 46 HB2 ASN 46 -10.887 1.324 0.962 361 HB3 ASN 46 HB3 ASN 46 -9.556 0.261 0.927 362 HD21 ASN 46 HD21 ASN 46 -9.893 2.760 -0.559 363 HD22 ASN 46 HD22 ASN 46 -9.944 2.448 -2.253 364 H ARG 47 H ARG 47 -10.278 -2.701 1.997 365 HA ARG 47 HA ARG 47 -11.709 -2.472 4.499 366 HB2 ARG 47 HB2 ARG 47 -9.275 -3.982 3.559 367 HB3 ARG 47 HB3 ARG 47 -9.614 -3.938 5.264 368 HG2 ARG 47 HG2 ARG 47 -11.824 -4.774 3.388 369 HG3 ARG 47 HG3 ARG 47 -10.543 -5.910 3.801 370 HD2 ARG 47 HD2 ARG 47 -12.155 -4.486 5.934 371 HD3 ARG 47 HD3 ARG 47 -12.608 -6.051 5.233 372 HE ARG 47 HE ARG 47 -10.044 -6.508 5.992 373 HH11 ARG 47 HH11 ARG 47 -12.928 -5.375 7.783 374 HH12 ARG 47 HH12 ARG 47 -12.368 -6.014 9.295 375 HH21 ARG 47 HH21 ARG 47 -9.386 -7.389 7.914 376 HH22 ARG 47 HH22 ARG 47 -10.212 -7.140 9.401 377 H GLY 48 H GLY 48 -9.093 -0.542 3.369 378 HA2 GLY 48 HA2 GLY 48 -8.303 1.327 4.750 379 HA3 GLY 48 HA3 GLY 48 -8.471 0.327 6.152 380 H PHE 49 H PHE 49 -7.054 -1.507 3.560 381 HA PHE 49 HA PHE 49 -4.346 -0.657 4.082 382 HB2 PHE 49 HB2 PHE 49 -3.964 -3.214 4.738 383 HB3 PHE 49 HB3 PHE 49 -4.104 -1.905 5.884 384 HD1 PHE 49 HD1 PHE 49 -5.744 -4.848 4.417 385 HD2 PHE 49 HD2 PHE 49 -6.076 -1.687 7.337 386 HE1 PHE 49 HE1 PHE 49 -7.469 -6.145 5.631 387 HE2 PHE 49 HE2 PHE 49 -7.828 -2.974 8.533 388 HZ PHE 49 HZ PHE 49 -8.480 -5.211 7.713 389 H ALA 50 H ALA 50 -3.228 -0.912 2.157 390 HA ALA 50 HA ALA 50 -4.284 -2.912 0.205 391 HB1 ALA 50 HB1 ALA 50 -4.323 -0.467 -0.531 392 HB2 ALA 50 HB2 ALA 50 -2.559 -0.538 -0.533 393 HB3 ALA 50 HB3 ALA 50 -3.483 -1.598 -1.593 394 H PHE 51 H PHE 51 -2.980 -4.327 -0.790 395 HA PHE 51 HA PHE 51 -0.306 -4.734 0.430 396 HB2 PHE 51 HB2 PHE 51 -2.345 -6.495 -0.963 397 HB3 PHE 51 HB3 PHE 51 -0.671 -6.982 -0.835 398 HD1 PHE 51 HD1 PHE 51 -0.439 -8.675 0.760 399 HD2 PHE 51 HD2 PHE 51 -3.039 -5.337 1.667 400 HE1 PHE 51 HE1 PHE 51 -0.724 -9.503 3.056 401 HE2 PHE 51 HE2 PHE 51 -3.269 -6.151 3.968 402 HZ PHE 51 HZ PHE 51 -2.117 -8.240 4.689 403 H ILE 52 H ILE 52 0.644 -2.992 -0.738 404 HA ILE 52 HA ILE 52 1.112 -3.273 -3.630 405 HB ILE 52 HB ILE 52 2.345 -1.462 -1.550 406 HG12 ILE 52 HG12 ILE 52 0.007 -0.900 -1.860 407 HG13 ILE 52 HG13 ILE 52 1.010 0.327 -2.631 408 HG21 ILE 52 HG21 ILE 52 2.707 -1.231 -4.555 409 HG22 ILE 52 HG22 ILE 52 3.303 -0.120 -3.316 410 HG23 ILE 52 HG23 ILE 52 3.939 -1.765 -3.395 411 HD11 ILE 52 HD11 ILE 52 0.516 -0.713 -4.851 412 HD12 ILE 52 HD12 ILE 52 -0.556 -1.876 -4.035 413 HD13 ILE 52 HD13 ILE 52 -0.926 -0.149 -3.991 414 H GLN 53 H GLN 53 2.062 -5.068 -4.145 415 HA GLN 53 HA GLN 53 4.049 -6.481 -2.652 416 HB2 GLN 53 HB2 GLN 53 2.566 -7.547 -4.262 417 HB3 GLN 53 HB3 GLN 53 3.158 -6.519 -5.570 418 HG2 GLN 53 HG2 GLN 53 5.162 -7.690 -5.774 419 HG3 GLN 53 HG3 GLN 53 5.116 -8.301 -4.124 420 HE21 GLN 53 HE21 GLN 53 3.727 -10.108 -3.545 421 HE22 GLN 53 HE22 GLN 53 3.136 -11.115 -4.852 422 H LEU 54 H LEU 54 6.323 -6.779 -3.380 423 HA LEU 54 HA LEU 54 7.410 -4.276 -4.557 424 HB2 LEU 54 HB2 LEU 54 7.942 -5.660 -2.070 425 HB3 LEU 54 HB3 LEU 54 9.346 -5.883 -3.045 426 HG LEU 54 HG LEU 54 9.606 -3.940 -1.709 427 HD11 LEU 54 HD11 LEU 54 10.613 -3.821 -3.918 428 HD12 LEU 54 HD12 LEU 54 10.230 -2.257 -3.239 429 HD13 LEU 54 HD13 LEU 54 9.192 -2.915 -4.507 430 HD21 LEU 54 HD21 LEU 54 8.076 -2.033 -1.738 431 HD22 LEU 54 HD22 LEU 54 7.141 -3.522 -1.422 432 HD23 LEU 54 HD23 LEU 54 7.101 -2.786 -3.008 433 H SER 55 H SER 55 9.885 -4.811 -5.188 434 HA SER 55 HA SER 55 9.856 -6.832 -7.287 435 HB2 SER 55 HB2 SER 55 10.815 -4.531 -7.532 436 HB3 SER 55 HB3 SER 55 12.096 -4.991 -6.406 437 HG SER 55 HG SER 55 12.942 -6.292 -7.866 438 H THR 56 H THR 56 11.184 -6.457 -3.929 439 HA THR 56 HA THR 56 11.351 -9.314 -3.911 440 HB THR 56 HB THR 56 13.552 -9.423 -2.761 441 HG1 THR 56 HG1 THR 56 14.844 -7.389 -3.657 442 HG21 THR 56 HG21 THR 56 13.958 -8.410 -5.572 443 HG22 THR 56 HG22 THR 56 13.389 -10.035 -5.151 444 HG23 THR 56 HG23 THR 56 14.982 -9.518 -4.619 445 H ILE 57 H ILE 57 11.356 -10.161 -1.842 446 HA ILE 57 HA ILE 57 10.353 -8.986 0.456 447 HB ILE 57 HB ILE 57 11.472 -10.805 1.654 448 HG12 ILE 57 HG12 ILE 57 12.664 -12.493 -0.196 449 HG13 ILE 57 HG13 ILE 57 13.257 -10.930 -0.733 450 HG21 ILE 57 HG21 ILE 57 9.404 -11.299 0.531 451 HG22 ILE 57 HG22 ILE 57 10.264 -11.711 -0.977 452 HG23 ILE 57 HG23 ILE 57 10.454 -12.711 0.470 453 HD11 ILE 57 HD11 ILE 57 13.537 -12.166 2.038 454 HD12 ILE 57 HD12 ILE 57 14.803 -11.831 0.850 455 HD13 ILE 57 HD13 ILE 57 14.001 -10.493 1.676 456 H VAL 58 H VAL 58 13.518 -8.566 -0.851 457 HA VAL 58 HA VAL 58 14.692 -7.516 1.636 458 HB VAL 58 HB VAL 58 15.868 -7.513 -1.191 459 HG11 VAL 58 HG11 VAL 58 18.026 -7.224 0.041 460 HG12 VAL 58 HG12 VAL 58 16.947 -5.846 0.239 461 HG13 VAL 58 HG13 VAL 58 17.104 -7.032 1.553 462 HG21 VAL 58 HG21 VAL 58 15.534 -9.822 -0.461 463 HG22 VAL 58 HG22 VAL 58 17.246 -9.410 -0.355 464 HG23 VAL 58 HG23 VAL 58 16.267 -9.466 1.120 465 H GLU 59 H GLU 59 13.945 -6.155 -1.671 466 HA GLU 59 HA GLU 59 14.609 -3.504 -1.062 467 HB2 GLU 59 HB2 GLU 59 12.598 -4.694 -2.997 468 HB3 GLU 59 HB3 GLU 59 12.919 -2.951 -2.940 469 HG2 GLU 59 HG2 GLU 59 15.034 -5.069 -3.452 470 HG3 GLU 59 HG3 GLU 59 14.122 -4.236 -4.703 471 H ALA 60 H ALA 60 11.620 -5.254 -0.340 472 HA ALA 60 HA ALA 60 9.919 -3.092 0.271 473 HB1 ALA 60 HB1 ALA 60 8.806 -4.705 1.842 474 HB2 ALA 60 HB2 ALA 60 9.127 -5.397 0.240 475 HB3 ALA 60 HB3 ALA 60 10.180 -5.817 1.606 476 H ALA 61 H ALA 61 12.437 -4.568 2.380 477 HA ALA 61 HA ALA 61 11.680 -3.014 4.676 478 HB1 ALA 61 HB1 ALA 61 14.369 -4.316 4.155 479 HB2 ALA 61 HB2 ALA 61 13.645 -3.887 5.726 480 HB3 ALA 61 HB3 ALA 61 12.946 -5.188 4.742 481 H GLN 62 H GLN 62 13.880 -2.522 1.994 482 HA GLN 62 HA GLN 62 15.251 -0.245 3.182 483 HB2 GLN 62 HB2 GLN 62 15.340 -1.729 0.547 484 HB3 GLN 62 HB3 GLN 62 16.048 -0.125 0.671 485 HG2 GLN 62 HG2 GLN 62 17.688 -1.912 1.055 486 HG3 GLN 62 HG3 GLN 62 17.560 -0.787 2.416 487 HE21 GLN 62 HE21 GLN 62 16.078 -3.925 1.347 488 HE22 GLN 62 HE22 GLN 62 16.087 -4.644 2.913 489 H LEU 63 H LEU 63 12.750 -0.701 0.579 490 HA LEU 63 HA LEU 63 12.504 1.998 -0.119 491 HB2 LEU 63 HB2 LEU 63 10.887 -0.445 -0.509 492 HB3 LEU 63 HB3 LEU 63 9.898 0.969 -0.227 493 HG LEU 63 HG LEU 63 11.342 2.138 -2.060 494 HD11 LEU 63 HD11 LEU 63 12.392 0.647 -3.698 495 HD12 LEU 63 HD12 LEU 63 12.047 -0.757 -2.674 496 HD13 LEU 63 HD13 LEU 63 13.179 0.482 -2.121 497 HD21 LEU 63 HD21 LEU 63 9.825 1.339 -3.745 498 HD22 LEU 63 HD22 LEU 63 8.965 1.284 -2.220 499 HD23 LEU 63 HD23 LEU 63 9.590 -0.207 -2.905 500 H LEU 64 H LEU 64 11.075 0.272 2.617 501 HA LEU 64 HA LEU 64 9.353 2.279 3.570 502 HB2 LEU 64 HB2 LEU 64 9.833 -0.266 4.198 503 HB3 LEU 64 HB3 LEU 64 10.864 0.432 5.419 504 HG LEU 64 HG LEU 64 8.765 -0.208 6.345 505 HD11 LEU 64 HD11 LEU 64 7.883 1.675 7.442 506 HD12 LEU 64 HD12 LEU 64 8.440 2.784 6.181 507 HD13 LEU 64 HD13 LEU 64 9.616 1.963 7.241 508 HD21 LEU 64 HD21 LEU 64 7.494 -0.250 4.263 509 HD22 LEU 64 HD22 LEU 64 7.374 1.525 4.279 510 HD23 LEU 64 HD23 LEU 64 6.599 0.530 5.558 511 H GLN 65 H GLN 65 12.838 2.412 3.513 512 HA GLN 65 HA GLN 65 12.758 4.799 5.287 513 HB2 GLN 65 HB2 GLN 65 14.995 4.422 5.945 514 HB3 GLN 65 HB3 GLN 65 14.030 3.023 6.392 515 HG2 GLN 65 HG2 GLN 65 14.980 1.636 4.766 516 HG3 GLN 65 HG3 GLN 65 15.546 2.975 3.771 517 HE21 GLN 65 HE21 GLN 65 16.721 4.174 6.548 518 HE22 GLN 65 HE22 GLN 65 18.280 3.353 6.493 519 H ILE 66 H ILE 66 12.449 4.312 2.242 520 HA ILE 66 HA ILE 66 14.313 6.455 1.385 521 HB ILE 66 HB ILE 66 13.132 4.208 -0.301 522 HG12 ILE 66 HG12 ILE 66 16.039 4.642 0.443 523 HG13 ILE 66 HG13 ILE 66 15.026 3.520 1.289 524 HG21 ILE 66 HG21 ILE 66 14.552 5.104 -2.122 525 HG22 ILE 66 HG22 ILE 66 13.425 6.329 -1.560 526 HG23 ILE 66 HG23 ILE 66 15.117 6.401 -1.052 527 HD11 ILE 66 HD11 ILE 66 16.263 2.247 -0.270 528 HD12 ILE 66 HD12 ILE 66 14.597 2.292 -0.874 529 HD13 ILE 66 HD13 ILE 66 15.848 3.316 -1.622 530 H LEU 67 H LEU 67 11.052 4.933 0.947 531 HA LEU 67 HA LEU 67 10.236 6.781 -0.984 532 HB2 LEU 67 HB2 LEU 67 8.491 5.172 0.940 533 HB3 LEU 67 HB3 LEU 67 7.917 6.090 -0.447 534 HG LEU 67 HG LEU 67 9.340 3.452 -0.374 535 HD11 LEU 67 HD11 LEU 67 6.975 3.502 -0.689 536 HD12 LEU 67 HD12 LEU 67 7.691 3.054 -2.245 537 HD13 LEU 67 HD13 LEU 67 7.089 4.697 -1.998 538 HD21 LEU 67 HD21 LEU 67 9.836 3.696 -2.840 539 HD22 LEU 67 HD22 LEU 67 10.936 4.560 -1.762 540 HD23 LEU 67 HD23 LEU 67 9.668 5.448 -2.616 541 H GLN 68 H GLN 68 9.435 6.860 2.506 542 HA GLN 68 HA GLN 68 7.890 9.224 2.320 543 HB2 GLN 68 HB2 GLN 68 9.311 8.012 4.691 544 HB3 GLN 68 HB3 GLN 68 8.272 9.423 4.739 545 HG2 GLN 68 HG2 GLN 68 6.679 7.871 5.216 546 HG3 GLN 68 HG3 GLN 68 6.529 7.833 3.458 547 HE21 GLN 68 HE21 GLN 68 8.074 6.272 6.292 548 HE22 GLN 68 HE22 GLN 68 8.071 4.666 5.547 549 H ALA 69 H ALA 69 11.338 8.766 2.534 550 HA ALA 69 HA ALA 69 12.071 11.464 3.291 551 HB1 ALA 69 HB1 ALA 69 14.335 10.850 2.641 552 HB2 ALA 69 HB2 ALA 69 13.612 9.521 3.580 553 HB3 ALA 69 HB3 ALA 69 13.756 9.414 1.808 554 H LEU 70 H LEU 70 10.800 10.137 0.397 555 HA LEU 70 HA LEU 70 11.541 12.501 -1.224 556 HB2 LEU 70 HB2 LEU 70 10.386 9.838 -2.112 557 HB3 LEU 70 HB3 LEU 70 11.017 11.093 -3.150 558 HG LEU 70 HG LEU 70 12.621 9.391 -1.220 559 HD11 LEU 70 HD11 LEU 70 13.554 8.351 -3.235 560 HD12 LEU 70 HD12 LEU 70 12.446 9.336 -4.229 561 HD13 LEU 70 HD13 LEU 70 11.806 8.106 -3.116 562 HD21 LEU 70 HD21 LEU 70 13.517 11.526 -3.176 563 HD22 LEU 70 HD22 LEU 70 14.599 10.389 -2.320 564 HD23 LEU 70 HD23 LEU 70 13.628 11.541 -1.393 565 H HIS 71 H HIS 71 9.846 13.193 -2.607 566 HA HIS 71 HA HIS 71 7.854 14.193 -2.973 567 HB2 HIS 71 HB2 HIS 71 7.215 11.313 -2.519 568 HB3 HIS 71 HB3 HIS 71 5.848 12.395 -2.588 569 HD1 HIS 71 HD1 HIS 71 9.029 12.648 -4.834 570 HD2 HIS 71 HD2 HIS 71 4.915 11.768 -4.940 571 HE1 HIS 71 HE1 HIS 71 8.403 12.414 -7.300 572 HA PRO 72 HA PRO 72 6.007 15.980 0.570 573 HB2 PRO 72 HB2 PRO 72 3.398 16.548 -0.062 574 HB3 PRO 72 HB3 PRO 72 4.788 17.377 -0.829 575 HG2 PRO 72 HG2 PRO 72 3.250 14.979 -1.888 576 HG3 PRO 72 HG3 PRO 72 3.621 16.520 -2.742 577 HD2 PRO 72 HD2 PRO 72 5.180 14.359 -3.090 578 HD3 PRO 72 HD3 PRO 72 5.903 15.985 -2.910 579 HA PRO 73 HA PRO 73 3.856 12.876 3.001 580 HB2 PRO 73 HB2 PRO 73 2.126 14.431 4.555 581 HB3 PRO 73 HB3 PRO 73 3.850 14.118 4.901 582 HG2 PRO 73 HG2 PRO 73 2.595 16.518 3.568 583 HG3 PRO 73 HG3 PRO 73 3.925 16.460 4.766 584 HD2 PRO 73 HD2 PRO 73 4.357 16.804 2.104 585 HD3 PRO 73 HD3 PRO 73 5.493 15.861 3.111 586 H LEU 74 H LEU 74 2.578 11.609 1.837 587 HA LEU 74 HA LEU 74 0.415 12.476 0.176 588 HB2 LEU 74 HB2 LEU 74 1.755 10.440 -0.217 589 HB3 LEU 74 HB3 LEU 74 1.108 9.728 1.270 590 HG LEU 74 HG LEU 74 -1.176 9.792 0.302 591 HD11 LEU 74 HD11 LEU 74 -1.383 10.141 -2.198 592 HD12 LEU 74 HD12 LEU 74 0.243 10.843 -2.186 593 HD13 LEU 74 HD13 LEU 74 -1.079 11.623 -1.298 594 HD21 LEU 74 HD21 LEU 74 -0.805 7.960 -1.324 595 HD22 LEU 74 HD22 LEU 74 0.221 7.805 0.114 596 HD23 LEU 74 HD23 LEU 74 0.925 8.383 -1.396 597 H THR 75 H THR 75 -1.661 12.774 0.605 598 HA THR 75 HA THR 75 -2.991 11.553 2.863 599 HB THR 75 HB THR 75 -3.621 14.372 3.141 600 HG1 THR 75 HG1 THR 75 -1.533 14.805 2.483 601 HG21 THR 75 HG21 THR 75 -4.072 12.781 4.869 602 HG22 THR 75 HG22 THR 75 -2.849 13.898 5.503 603 HG23 THR 75 HG23 THR 75 -2.363 12.305 4.942 604 H ILE 76 H ILE 76 -4.454 10.648 1.524 605 HA ILE 76 HA ILE 76 -6.139 12.531 -0.122 606 HB ILE 76 HB ILE 76 -5.803 9.558 -0.564 607 HG12 ILE 76 HG12 ILE 76 -4.884 11.821 -2.398 608 HG13 ILE 76 HG13 ILE 76 -3.805 11.076 -1.246 609 HG21 ILE 76 HG21 ILE 76 -7.146 9.904 -2.615 610 HG22 ILE 76 HG22 ILE 76 -8.058 10.252 -1.165 611 HG23 ILE 76 HG23 ILE 76 -7.401 11.590 -2.135 612 HD11 ILE 76 HD11 ILE 76 -5.143 9.628 -3.548 613 HD12 ILE 76 HD12 ILE 76 -3.432 10.059 -3.389 614 HD13 ILE 76 HD13 ILE 76 -4.139 8.873 -2.283 615 H ASP 77 H ASP 77 -8.395 12.379 0.159 616 HA ASP 77 HA ASP 77 -10.226 12.437 1.490 617 HB2 ASP 77 HB2 ASP 77 -9.424 9.544 1.899 618 HB3 ASP 77 HB3 ASP 77 -10.966 10.228 2.398 619 H GLY 78 H GLY 78 -7.718 13.309 2.747 620 HA2 GLY 78 HA2 GLY 78 -6.953 14.008 4.780 621 HA3 GLY 78 HA3 GLY 78 -8.552 13.639 5.439 622 H LYS 79 H LYS 79 -6.769 10.957 3.953 623 HA LYS 79 HA LYS 79 -5.996 9.975 6.662 624 HB2 LYS 79 HB2 LYS 79 -6.414 8.283 4.176 625 HB3 LYS 79 HB3 LYS 79 -6.101 7.764 5.816 626 HG2 LYS 79 HG2 LYS 79 -8.664 8.813 4.589 627 HG3 LYS 79 HG3 LYS 79 -8.363 7.265 5.353 628 HD2 LYS 79 HD2 LYS 79 -8.208 8.431 7.589 629 HD3 LYS 79 HD3 LYS 79 -8.586 9.949 6.764 630 HE2 LYS 79 HE2 LYS 79 -10.727 9.426 7.298 631 HE3 LYS 79 HE3 LYS 79 -10.617 8.532 5.772 632 HZ1 LYS 79 HZ1 LYS 79 -11.525 7.085 7.356 633 HZ2 LYS 79 HZ2 LYS 79 -10.399 7.466 8.514 634 HZ3 LYS 79 HZ3 LYS 79 -9.976 6.566 7.221 635 H THR 80 H THR 80 -3.788 10.267 6.968 636 HA THR 80 HA THR 80 -1.891 10.195 4.793 637 HB THR 80 HB THR 80 -1.646 9.575 7.803 638 HG1 THR 80 HG1 THR 80 -0.957 12.046 6.663 639 HG21 THR 80 HG21 THR 80 0.353 8.805 6.662 640 HG22 THR 80 HG22 THR 80 0.731 10.237 7.599 641 HG23 THR 80 HG23 THR 80 0.543 10.356 5.831 642 H ILE 81 H ILE 81 -1.463 8.412 3.618 643 HA ILE 81 HA ILE 81 -2.120 5.729 4.349 644 HB ILE 81 HB ILE 81 0.104 6.743 2.520 645 HG12 ILE 81 HG12 ILE 81 -1.880 7.735 1.727 646 HG13 ILE 81 HG13 ILE 81 -1.584 6.364 0.658 647 HG21 ILE 81 HG21 ILE 81 -1.245 4.051 2.794 648 HG22 ILE 81 HG22 ILE 81 -0.285 4.529 1.365 649 HG23 ILE 81 HG23 ILE 81 0.478 4.428 2.960 650 HD11 ILE 81 HD11 ILE 81 -3.910 6.283 1.092 651 HD12 ILE 81 HD12 ILE 81 -3.256 5.062 2.207 652 HD13 ILE 81 HD13 ILE 81 -3.719 6.662 2.809 653 H ASN 82 H ASN 82 -1.174 4.339 5.797 654 HA ASN 82 HA ASN 82 1.263 5.223 7.254 655 HB2 ASN 82 HB2 ASN 82 -1.117 3.944 8.057 656 HB3 ASN 82 HB3 ASN 82 0.061 2.620 7.947 657 HD21 ASN 82 HD21 ASN 82 -1.366 3.989 10.209 658 HD22 ASN 82 HD22 ASN 82 -0.139 4.611 11.273 659 H VAL 83 H VAL 83 2.940 3.566 7.451 660 HA VAL 83 HA VAL 83 3.256 1.977 4.971 661 HB VAL 83 HB VAL 83 5.588 2.849 5.055 662 HG11 VAL 83 HG11 VAL 83 5.032 4.966 4.082 663 HG12 VAL 83 HG12 VAL 83 3.717 3.865 3.697 664 HG13 VAL 83 HG13 VAL 83 3.510 5.082 4.975 665 HG21 VAL 83 HG21 VAL 83 4.556 4.416 7.476 666 HG22 VAL 83 HG22 VAL 83 6.103 3.591 7.227 667 HG23 VAL 83 HG23 VAL 83 5.741 5.118 6.417 668 H GLU 84 H GLU 84 2.464 0.114 6.071 669 HA GLU 84 HA GLU 84 4.273 -0.892 8.268 670 HB2 GLU 84 HB2 GLU 84 1.461 -1.736 7.485 671 HB3 GLU 84 HB3 GLU 84 2.371 -2.362 8.837 672 HG2 GLU 84 HG2 GLU 84 1.399 0.519 8.541 673 HG3 GLU 84 HG3 GLU 84 0.610 -0.761 9.440 674 H PHE 85 H PHE 85 4.759 -3.336 8.193 675 HA PHE 85 HA PHE 85 5.197 -4.159 5.373 676 HB2 PHE 85 HB2 PHE 85 6.146 -5.318 8.017 677 HB3 PHE 85 HB3 PHE 85 6.469 -6.024 6.433 678 HD1 PHE 85 HD1 PHE 85 8.218 -4.532 8.839 679 HD2 PHE 85 HD2 PHE 85 7.220 -3.881 4.680 680 HE1 PHE 85 HE1 PHE 85 10.301 -3.211 8.547 681 HE2 PHE 85 HE2 PHE 85 9.239 -2.477 4.429 682 HZ PHE 85 HZ PHE 85 10.775 -2.127 6.383 683 H ALA 86 H ALA 86 4.570 -6.238 4.597 684 HA ALA 86 HA ALA 86 2.002 -7.155 5.542 685 HB1 ALA 86 HB1 ALA 86 3.887 -8.124 3.385 686 HB2 ALA 86 HB2 ALA 86 2.210 -8.669 3.595 687 HB3 ALA 86 HB3 ALA 86 2.532 -6.977 3.183 688 H LYS 87 H LYS 87 3.115 -7.545 7.771 689 HA LYS 87 HA LYS 87 4.485 -10.048 8.131 690 HB2 LYS 87 HB2 LYS 87 4.332 -8.299 9.920 691 HB3 LYS 87 HB3 LYS 87 2.599 -8.617 10.073 692 HG2 LYS 87 HG2 LYS 87 3.242 -11.086 10.566 693 HG3 LYS 87 HG3 LYS 87 4.906 -10.517 10.659 694 HD2 LYS 87 HD2 LYS 87 4.033 -8.857 12.458 695 HD3 LYS 87 HD3 LYS 87 2.516 -9.745 12.382 696 HE2 LYS 87 HE2 LYS 87 3.642 -10.757 14.161 697 HE3 LYS 87 HE3 LYS 87 3.897 -11.877 12.802 698 HZ1 LYS 87 HZ1 LYS 87 5.795 -9.930 13.930 699 HZ2 LYS 87 HZ2 LYS 87 6.074 -10.714 12.504 700 HZ3 LYS 87 HZ3 LYS 87 5.948 -11.579 13.893 701 H GLY 88 H GLY 88 3.711 -11.987 7.542 702 HA2 GLY 88 HA2 GLY 88 1.041 -12.841 8.464 703 HA3 GLY 88 HA3 GLY 88 1.458 -13.082 6.758 704 H SER 89 H SER 89 2.063 -14.110 10.052 705 HA SER 89 HA SER 89 3.464 -15.642 11.002 706 HB2 SER 89 HB2 SER 89 2.641 -17.154 8.507 707 HB3 SER 89 HB3 SER 89 3.172 -17.876 10.049 708 HG SER 89 HG SER 89 0.791 -17.561 9.553 Start of MODEL 2 1 H1 GLY 1 H GLY 1 7.895 -11.649 7.396 2 HA2 GLY 1 HA2 GLY 1 8.338 -9.380 9.237 3 HA3 GLY 1 HA3 GLY 1 9.604 -10.244 8.340 4 H HIS 2 H HIS 2 9.951 -9.717 6.143 5 HA HIS 2 HA HIS 2 8.484 -7.332 5.144 6 HB2 HIS 2 HB2 HIS 2 10.967 -8.467 3.854 7 HB3 HIS 2 HB3 HIS 2 10.307 -6.840 3.804 8 HD1 HIS 2 HD1 HIS 2 13.348 -7.861 4.761 9 HD2 HIS 2 HD2 HIS 2 10.119 -6.461 7.098 10 HE1 HIS 2 HE1 HIS 2 14.316 -7.116 6.994 11 H MET 3 H MET 3 9.953 -10.309 3.668 12 HA MET 3 HA MET 3 9.336 -11.487 1.861 13 HB2 MET 3 HB2 MET 3 7.948 -12.436 3.738 14 HB3 MET 3 HB3 MET 3 6.560 -11.551 3.082 15 HG2 MET 3 HG2 MET 3 6.868 -12.759 0.915 16 HG3 MET 3 HG3 MET 3 8.282 -13.568 1.585 17 HE1 MET 3 HE1 MET 3 6.010 -15.220 0.201 18 HE2 MET 3 HE2 MET 3 7.544 -15.758 0.903 19 HE3 MET 3 HE3 MET 3 6.043 -16.588 1.344 20 H ASP 4 H ASP 4 9.518 -8.923 1.164 21 HA ASP 4 HA ASP 4 8.958 -7.397 -0.415 22 HB2 ASP 4 HB2 ASP 4 8.569 -8.401 -2.649 23 HB3 ASP 4 HB3 ASP 4 9.931 -9.007 -1.749 24 H THR 5 H THR 5 6.806 -7.600 1.485 25 HA THR 5 HA THR 5 4.774 -6.431 -0.256 26 HB THR 5 HB THR 5 4.023 -8.442 1.881 27 HG1 THR 5 HG1 THR 5 5.109 -9.505 0.161 28 HG21 THR 5 HG21 THR 5 2.295 -6.718 1.137 29 HG22 THR 5 HG22 THR 5 1.822 -8.373 0.752 30 HG23 THR 5 HG23 THR 5 2.489 -7.327 -0.524 31 H ILE 6 H ILE 6 3.957 -4.641 0.590 32 HA ILE 6 HA ILE 6 4.431 -3.929 3.457 33 HB ILE 6 HB ILE 6 4.508 -2.091 1.032 34 HG12 ILE 6 HG12 ILE 6 6.723 -3.152 2.873 35 HG13 ILE 6 HG13 ILE 6 6.487 -3.579 1.190 36 HG21 ILE 6 HG21 ILE 6 5.270 -1.438 3.918 37 HG22 ILE 6 HG22 ILE 6 5.266 -0.329 2.539 38 HG23 ILE 6 HG23 ILE 6 3.741 -0.917 3.154 39 HD11 ILE 6 HD11 ILE 6 7.374 -0.870 2.259 40 HD12 ILE 6 HD12 ILE 6 8.330 -2.022 1.359 41 HD13 ILE 6 HD13 ILE 6 6.981 -1.198 0.548 42 H ILE 7 H ILE 7 2.817 -2.558 4.429 43 HA ILE 7 HA ILE 7 0.108 -2.857 3.329 44 HB ILE 7 HB ILE 7 0.966 -2.447 6.207 45 HG12 ILE 7 HG12 ILE 7 -0.067 -4.875 4.710 46 HG13 ILE 7 HG13 ILE 7 1.431 -4.652 5.578 47 HG21 ILE 7 HG21 ILE 7 -1.765 -2.602 4.916 48 HG22 ILE 7 HG22 ILE 7 -1.497 -2.687 6.687 49 HG23 ILE 7 HG23 ILE 7 -1.072 -1.234 5.816 50 HD11 ILE 7 HD11 ILE 7 0.171 -4.506 7.736 51 HD12 ILE 7 HD12 ILE 7 -1.320 -4.899 6.835 52 HD13 ILE 7 HD13 ILE 7 -0.008 -6.065 6.902 53 H LEU 8 H LEU 8 -0.387 -1.108 2.236 54 HA LEU 8 HA LEU 8 0.377 1.618 3.100 55 HB2 LEU 8 HB2 LEU 8 -1.804 0.886 1.107 56 HB3 LEU 8 HB3 LEU 8 -1.075 2.437 1.384 57 HG LEU 8 HG LEU 8 0.042 0.035 0.015 58 HD11 LEU 8 HD11 LEU 8 -1.227 1.605 -1.334 59 HD12 LEU 8 HD12 LEU 8 0.483 1.711 -1.803 60 HD13 LEU 8 HD13 LEU 8 -0.217 2.960 -0.773 61 HD21 LEU 8 HD21 LEU 8 2.231 1.192 -0.291 62 HD22 LEU 8 HD22 LEU 8 1.949 0.538 1.303 63 HD23 LEU 8 HD23 LEU 8 1.772 2.301 1.022 64 H ARG 9 H ARG 9 -0.323 1.452 5.258 65 HA ARG 9 HA ARG 9 -3.070 0.885 5.992 66 HB2 ARG 9 HB2 ARG 9 -0.608 1.331 7.311 67 HB3 ARG 9 HB3 ARG 9 -1.529 2.781 7.665 68 HG2 ARG 9 HG2 ARG 9 -2.771 0.090 8.116 69 HG3 ARG 9 HG3 ARG 9 -1.551 0.702 9.219 70 HD2 ARG 9 HD2 ARG 9 -3.229 2.934 8.963 71 HD3 ARG 9 HD3 ARG 9 -4.365 1.562 8.923 72 HE ARG 9 HE ARG 9 -2.255 2.006 11.010 73 HH11 ARG 9 HH11 ARG 9 -5.653 1.106 10.374 74 HH12 ARG 9 HH12 ARG 9 -5.922 0.731 12.050 75 HH21 ARG 9 HH21 ARG 9 -2.615 1.516 13.027 76 HH22 ARG 9 HH22 ARG 9 -4.145 0.908 13.610 77 H ASN 10 H ASN 10 -4.266 2.906 7.189 78 HA ASN 10 HA ASN 10 -5.426 4.780 6.939 79 HB2 ASN 10 HB2 ASN 10 -2.690 5.431 6.856 80 HB3 ASN 10 HB3 ASN 10 -3.394 6.333 5.513 81 HD21 ASN 10 HD21 ASN 10 -2.229 7.474 7.584 82 HD22 ASN 10 HD22 ASN 10 -3.259 8.145 8.817 83 H LEU 11 H LEU 11 -5.627 2.825 4.857 84 HA LEU 11 HA LEU 11 -5.780 4.278 2.339 85 HB2 LEU 11 HB2 LEU 11 -5.236 1.692 3.013 86 HB3 LEU 11 HB3 LEU 11 -6.945 1.538 2.626 87 HG LEU 11 HG LEU 11 -5.482 1.046 0.751 88 HD11 LEU 11 HD11 LEU 11 -6.949 3.653 0.169 89 HD12 LEU 11 HD12 LEU 11 -7.795 2.145 0.491 90 HD13 LEU 11 HD13 LEU 11 -6.725 2.248 -0.912 91 HD21 LEU 11 HD21 LEU 11 -4.569 3.905 0.530 92 HD22 LEU 11 HD22 LEU 11 -3.962 2.444 -0.273 93 HD23 LEU 11 HD23 LEU 11 -3.662 2.682 1.443 94 H ASN 12 H ASN 12 -7.486 5.750 2.099 95 HA ASN 12 HA ASN 12 -9.818 5.689 3.665 96 HB2 ASN 12 HB2 ASN 12 -8.879 7.672 2.349 97 HB3 ASN 12 HB3 ASN 12 -9.560 6.976 0.906 98 HD21 ASN 12 HD21 ASN 12 -11.426 8.173 0.303 99 HD22 ASN 12 HD22 ASN 12 -12.620 8.597 1.496 100 HA PRO 13 HA PRO 13 -12.014 2.391 1.847 101 HB2 PRO 13 HB2 PRO 13 -14.688 3.109 2.290 102 HB3 PRO 13 HB3 PRO 13 -13.584 2.292 3.433 103 HG2 PRO 13 HG2 PRO 13 -14.193 5.246 3.187 104 HG3 PRO 13 HG3 PRO 13 -14.056 4.249 4.658 105 HD2 PRO 13 HD2 PRO 13 -12.037 5.793 3.917 106 HD3 PRO 13 HD3 PRO 13 -11.632 4.143 4.413 107 H HIS 14 H HIS 14 -12.812 5.590 0.677 108 HA HIS 14 HA HIS 14 -13.751 4.407 -1.903 109 HB2 HIS 14 HB2 HIS 14 -14.068 7.221 -0.794 110 HB3 HIS 14 HB3 HIS 14 -14.659 6.662 -2.344 111 HD1 HIS 14 HD1 HIS 14 -17.203 6.756 -2.111 112 HD2 HIS 14 HD2 HIS 14 -15.265 5.118 1.245 113 HE1 HIS 14 HE1 HIS 14 -19.031 5.934 -0.530 114 H SER 15 H SER 15 -10.737 5.148 -0.738 115 HA SER 15 HA SER 15 -9.793 6.982 -2.720 116 HB2 SER 15 HB2 SER 15 -8.620 6.023 -0.576 117 HB3 SER 15 HB3 SER 15 -8.173 4.681 -1.614 118 HG SER 15 HG SER 15 -6.789 6.724 -1.390 119 H THR 16 H THR 16 -8.477 6.391 -4.700 120 HA THR 16 HA THR 16 -9.445 3.851 -5.892 121 HB THR 16 HB THR 16 -10.460 5.200 -7.311 122 HG1 THR 16 HG1 THR 16 -9.386 5.184 -9.137 123 HG21 THR 16 HG21 THR 16 -8.412 7.380 -6.872 124 HG22 THR 16 HG22 THR 16 -10.107 7.359 -6.378 125 HG23 THR 16 HG23 THR 16 -9.699 7.454 -8.094 126 H MET 17 H MET 17 -7.950 2.422 -6.522 127 HA MET 17 HA MET 17 -5.447 2.657 -5.191 128 HB2 MET 17 HB2 MET 17 -4.797 0.610 -6.217 129 HB3 MET 17 HB3 MET 17 -6.467 0.490 -5.660 130 HG2 MET 17 HG2 MET 17 -7.269 0.767 -7.976 131 HG3 MET 17 HG3 MET 17 -5.605 1.048 -8.519 132 HE1 MET 17 HE1 MET 17 -8.184 -1.541 -7.174 133 HE2 MET 17 HE2 MET 17 -7.242 -3.049 -7.134 134 HE3 MET 17 HE3 MET 17 -6.908 -1.770 -5.953 135 H ASP 18 H ASP 18 -6.390 3.497 -8.456 136 HA ASP 18 HA ASP 18 -3.878 3.590 -9.755 137 HB2 ASP 18 HB2 ASP 18 -6.158 3.723 -10.766 138 HB3 ASP 18 HB3 ASP 18 -6.344 5.352 -10.130 139 H SER 19 H SER 19 -5.617 5.892 -7.805 140 HA SER 19 HA SER 19 -3.933 8.232 -8.188 141 HB2 SER 19 HB2 SER 19 -6.300 7.391 -6.470 142 HB3 SER 19 HB3 SER 19 -5.639 8.973 -6.284 143 HG SER 19 HG SER 19 -6.244 7.900 -8.842 144 H ILE 20 H ILE 20 -4.342 5.694 -5.723 145 HA ILE 20 HA ILE 20 -2.412 6.767 -3.850 146 HB ILE 20 HB ILE 20 -3.410 3.953 -4.308 147 HG12 ILE 20 HG12 ILE 20 -4.283 5.762 -2.056 148 HG13 ILE 20 HG13 ILE 20 -5.110 5.846 -3.604 149 HG21 ILE 20 HG21 ILE 20 -1.250 4.008 -3.015 150 HG22 ILE 20 HG22 ILE 20 -2.023 5.070 -1.826 151 HG23 ILE 20 HG23 ILE 20 -2.599 3.413 -2.054 152 HD11 ILE 20 HD11 ILE 20 -5.997 3.701 -3.429 153 HD12 ILE 20 HD12 ILE 20 -4.789 3.181 -2.233 154 HD13 ILE 20 HD13 ILE 20 -6.044 4.326 -1.780 155 H LEU 21 H LEU 21 -2.251 4.253 -6.406 156 HA LEU 21 HA LEU 21 0.404 3.469 -6.032 157 HB2 LEU 21 HB2 LEU 21 -1.389 3.483 -8.493 158 HB3 LEU 21 HB3 LEU 21 0.229 2.793 -8.537 159 HG LEU 21 HG LEU 21 -1.835 1.851 -6.523 160 HD11 LEU 21 HD11 LEU 21 -2.734 1.577 -8.836 161 HD12 LEU 21 HD12 LEU 21 -2.473 0.049 -7.998 162 HD13 LEU 21 HD13 LEU 21 -1.305 0.593 -9.231 163 HD21 LEU 21 HD21 LEU 21 -0.432 -0.109 -6.345 164 HD22 LEU 21 HD22 LEU 21 0.573 1.315 -6.090 165 HD23 LEU 21 HD23 LEU 21 0.613 0.481 -7.646 166 H GLY 22 H GLY 22 -0.861 6.030 -8.236 167 HA2 GLY 22 HA2 GLY 22 1.627 6.551 -9.436 168 HA3 GLY 22 HA3 GLY 22 0.294 7.728 -9.302 169 H ALA 23 H ALA 23 0.589 7.502 -6.198 170 HA ALA 23 HA ALA 23 3.026 9.248 -5.995 171 HB1 ALA 23 HB1 ALA 23 0.441 9.339 -4.418 172 HB2 ALA 23 HB2 ALA 23 1.841 10.447 -4.296 173 HB3 ALA 23 HB3 ALA 23 0.870 10.418 -5.771 174 H LEU 24 H LEU 24 2.333 6.134 -5.373 175 HA LEU 24 HA LEU 24 4.083 6.104 -2.978 176 HB2 LEU 24 HB2 LEU 24 1.291 5.640 -2.803 177 HB3 LEU 24 HB3 LEU 24 1.967 4.053 -2.823 178 HG LEU 24 HG LEU 24 1.673 4.699 -0.579 179 HD11 LEU 24 HD11 LEU 24 3.872 4.556 0.434 180 HD12 LEU 24 HD12 LEU 24 4.650 5.009 -1.089 181 HD13 LEU 24 HD13 LEU 24 3.764 3.474 -0.964 182 HD21 LEU 24 HD21 LEU 24 2.716 6.707 0.457 183 HD22 LEU 24 HD22 LEU 24 1.504 7.101 -0.764 184 HD23 LEU 24 HD23 LEU 24 3.220 7.248 -1.150 185 H ALA 25 H ALA 25 3.964 5.248 -6.091 186 HA ALA 25 HA ALA 25 5.486 2.745 -5.528 187 HB1 ALA 25 HB1 ALA 25 3.249 2.093 -6.347 188 HB2 ALA 25 HB2 ALA 25 3.501 3.085 -7.804 189 HB3 ALA 25 HB3 ALA 25 4.560 1.698 -7.477 190 HA PRO 26 HA PRO 26 8.049 5.568 -8.011 191 HB2 PRO 26 HB2 PRO 26 10.202 5.686 -6.289 192 HB3 PRO 26 HB3 PRO 26 8.825 6.838 -6.266 193 HG2 PRO 26 HG2 PRO 26 9.233 4.398 -4.528 194 HG3 PRO 26 HG3 PRO 26 8.725 6.038 -4.028 195 HD2 PRO 26 HD2 PRO 26 6.972 4.002 -4.415 196 HD3 PRO 26 HD3 PRO 26 6.564 5.686 -4.828 197 H TYR 27 H TYR 27 8.560 2.505 -6.221 198 HA TYR 27 HA TYR 27 10.516 1.653 -8.323 199 HB2 TYR 27 HB2 TYR 27 10.632 1.039 -5.364 200 HB3 TYR 27 HB3 TYR 27 11.780 0.571 -6.574 201 HD1 TYR 27 HD1 TYR 27 10.880 3.007 -4.150 202 HD2 TYR 27 HD2 TYR 27 13.152 2.504 -7.753 203 HE1 TYR 27 HE1 TYR 27 12.170 5.042 -3.583 204 HE2 TYR 27 HE2 TYR 27 14.464 4.537 -7.213 205 HH TYR 27 HH TYR 27 14.591 6.507 -5.743 206 H ALA 28 H ALA 28 7.851 0.674 -6.209 207 HA ALA 28 HA ALA 28 7.767 -2.115 -7.080 208 HB1 ALA 28 HB1 ALA 28 6.564 -1.306 -5.056 209 HB2 ALA 28 HB2 ALA 28 5.567 -0.255 -6.079 210 HB3 ALA 28 HB3 ALA 28 5.466 -2.026 -6.244 211 H VAL 29 H VAL 29 7.080 -2.871 -9.045 212 HA VAL 29 HA VAL 29 5.783 -0.923 -10.913 213 HB VAL 29 HB VAL 29 7.842 -3.025 -11.667 214 HG11 VAL 29 HG11 VAL 29 6.506 -0.802 -13.273 215 HG12 VAL 29 HG12 VAL 29 7.797 -1.867 -13.865 216 HG13 VAL 29 HG13 VAL 29 6.215 -2.549 -13.471 217 HG21 VAL 29 HG21 VAL 29 9.298 -1.057 -12.227 218 HG22 VAL 29 HG22 VAL 29 8.129 0.004 -11.401 219 HG23 VAL 29 HG23 VAL 29 9.015 -1.246 -10.503 220 H LEU 30 H LEU 30 3.912 -1.767 -9.830 221 HA LEU 30 HA LEU 30 3.053 -4.457 -10.823 222 HB2 LEU 30 HB2 LEU 30 1.656 -3.125 -8.539 223 HB3 LEU 30 HB3 LEU 30 1.798 -4.826 -8.908 224 HG LEU 30 HG LEU 30 4.059 -3.124 -7.781 225 HD11 LEU 30 HD11 LEU 30 1.982 -3.602 -6.316 226 HD12 LEU 30 HD12 LEU 30 3.607 -3.930 -5.683 227 HD13 LEU 30 HD13 LEU 30 2.615 -5.270 -6.261 228 HD21 LEU 30 HD21 LEU 30 4.905 -5.079 -9.059 229 HD22 LEU 30 HD22 LEU 30 3.898 -6.144 -8.080 230 HD23 LEU 30 HD23 LEU 30 5.208 -5.220 -7.315 231 H SER 31 H SER 31 0.562 -4.584 -10.791 232 HA SER 31 HA SER 31 -0.839 -2.063 -10.878 233 HB2 SER 31 HB2 SER 31 -2.206 -2.703 -12.881 234 HB3 SER 31 HB3 SER 31 -0.532 -2.287 -13.242 235 HG SER 31 HG SER 31 -1.429 -4.213 -14.285 236 H SER 32 H SER 32 -3.236 -2.951 -11.222 237 HA SER 32 HA SER 32 -4.218 -3.351 -8.912 238 HB2 SER 32 HB2 SER 32 -5.494 -2.974 -11.016 239 HB3 SER 32 HB3 SER 32 -5.370 -4.720 -11.335 240 HG SER 32 HG SER 32 -6.749 -5.176 -9.776 241 H SER 33 H SER 33 -3.218 -6.340 -10.788 242 HA SER 33 HA SER 33 -4.676 -8.155 -9.192 243 HB2 SER 33 HB2 SER 33 -1.978 -8.619 -10.518 244 HB3 SER 33 HB3 SER 33 -3.165 -9.863 -10.068 245 HG SER 33 HG SER 33 -4.642 -8.829 -11.492 246 H ASN 34 H ASN 34 -1.672 -6.573 -8.595 247 HA ASN 34 HA ASN 34 -0.942 -8.238 -6.242 248 HB2 ASN 34 HB2 ASN 34 0.132 -5.696 -7.518 249 HB3 ASN 34 HB3 ASN 34 0.539 -6.089 -5.863 250 HD21 ASN 34 HD21 ASN 34 1.128 -7.007 -9.190 251 HD22 ASN 34 HD22 ASN 34 2.368 -8.174 -8.796 252 H VAL 35 H VAL 35 -2.361 -5.127 -6.994 253 HA VAL 35 HA VAL 35 -2.264 -4.076 -4.362 254 HB VAL 35 HB VAL 35 -3.654 -3.074 -6.885 255 HG11 VAL 35 HG11 VAL 35 -3.006 -1.795 -4.226 256 HG12 VAL 35 HG12 VAL 35 -3.117 -0.814 -5.711 257 HG13 VAL 35 HG13 VAL 35 -4.504 -1.760 -5.131 258 HG21 VAL 35 HG21 VAL 35 -0.836 -2.520 -5.852 259 HG22 VAL 35 HG22 VAL 35 -1.221 -3.497 -7.267 260 HG23 VAL 35 HG23 VAL 35 -1.595 -1.803 -7.290 261 H ARG 36 H ARG 36 -3.435 -5.366 -2.980 262 HA ARG 36 HA ARG 36 -6.399 -5.430 -3.474 263 HB2 ARG 36 HB2 ARG 36 -5.103 -7.638 -3.577 264 HB3 ARG 36 HB3 ARG 36 -4.805 -7.452 -1.859 265 HG2 ARG 36 HG2 ARG 36 -6.705 -8.919 -2.296 266 HG3 ARG 36 HG3 ARG 36 -7.216 -7.512 -1.389 267 HD2 ARG 36 HD2 ARG 36 -8.800 -8.277 -3.221 268 HD3 ARG 36 HD3 ARG 36 -8.371 -6.576 -3.229 269 HE ARG 36 HE ARG 36 -7.541 -6.800 -5.338 270 HH11 ARG 36 HH11 ARG 36 -7.364 -10.128 -3.904 271 HH12 ARG 36 HH12 ARG 36 -6.763 -10.752 -5.396 272 HH21 ARG 36 HH21 ARG 36 -6.871 -7.729 -7.184 273 HH22 ARG 36 HH22 ARG 36 -6.506 -9.428 -7.305 274 H VAL 37 H VAL 37 -7.328 -3.842 -2.243 275 HA VAL 37 HA VAL 37 -6.176 -3.344 0.423 276 HB VAL 37 HB VAL 37 -8.574 -1.911 -0.589 277 HG11 VAL 37 HG11 VAL 37 -6.106 -1.114 0.974 278 HG12 VAL 37 HG12 VAL 37 -7.440 -0.054 0.645 279 HG13 VAL 37 HG13 VAL 37 -7.686 -1.480 1.680 280 HG21 VAL 37 HG21 VAL 37 -7.282 -0.132 -1.669 281 HG22 VAL 37 HG22 VAL 37 -5.810 -1.135 -1.583 282 HG23 VAL 37 HG23 VAL 37 -7.167 -1.641 -2.584 283 H ILE 38 H ILE 38 -7.399 -5.885 -0.172 284 HA ILE 38 HA ILE 38 -9.096 -7.332 0.309 285 HB ILE 38 HB ILE 38 -9.081 -5.946 2.984 286 HG12 ILE 38 HG12 ILE 38 -6.770 -6.013 2.559 287 HG13 ILE 38 HG13 ILE 38 -7.154 -7.307 3.662 288 HG21 ILE 38 HG21 ILE 38 -10.644 -7.795 2.886 289 HG22 ILE 38 HG22 ILE 38 -9.375 -8.881 2.265 290 HG23 ILE 38 HG23 ILE 38 -9.287 -8.212 3.909 291 HD11 ILE 38 HD11 ILE 38 -5.521 -8.105 2.111 292 HD12 ILE 38 HD12 ILE 38 -7.041 -8.935 1.721 293 HD13 ILE 38 HD13 ILE 38 -6.460 -7.578 0.720 294 H LYS 39 H LYS 39 -10.133 -5.364 -1.243 295 HA LYS 39 HA LYS 39 -12.170 -3.743 -0.360 296 HB2 LYS 39 HB2 LYS 39 -13.293 -4.168 -2.575 297 HB3 LYS 39 HB3 LYS 39 -11.667 -3.516 -2.595 298 HG2 LYS 39 HG2 LYS 39 -10.742 -5.305 -3.551 299 HG3 LYS 39 HG3 LYS 39 -11.744 -6.499 -2.740 300 HD2 LYS 39 HD2 LYS 39 -12.815 -4.715 -4.944 301 HD3 LYS 39 HD3 LYS 39 -12.072 -6.304 -5.232 302 HE2 LYS 39 HE2 LYS 39 -13.852 -6.985 -3.301 303 HE3 LYS 39 HE3 LYS 39 -14.706 -5.595 -3.949 304 HZ1 LYS 39 HZ1 LYS 39 -13.799 -7.916 -5.549 305 HZ2 LYS 39 HZ2 LYS 39 -14.675 -6.648 -6.112 306 HZ3 LYS 39 HZ3 LYS 39 -15.342 -7.679 -5.028 307 H ASP 40 H ASP 40 -14.280 -3.913 0.269 308 HA ASP 40 HA ASP 40 -15.236 -6.470 1.123 309 HB2 ASP 40 HB2 ASP 40 -15.970 -4.037 1.873 310 HB3 ASP 40 HB3 ASP 40 -17.170 -4.254 0.563 311 H LYS 41 H LYS 41 -17.518 -7.212 0.370 312 HA LYS 41 HA LYS 41 -17.556 -7.430 -2.623 313 HB2 LYS 41 HB2 LYS 41 -18.808 -9.577 -2.033 314 HB3 LYS 41 HB3 LYS 41 -17.041 -9.603 -2.040 315 HG2 LYS 41 HG2 LYS 41 -18.563 -9.086 0.513 316 HG3 LYS 41 HG3 LYS 41 -18.491 -10.722 -0.087 317 HD2 LYS 41 HD2 LYS 41 -15.854 -9.307 0.041 318 HD3 LYS 41 HD3 LYS 41 -16.628 -9.603 1.593 319 HE2 LYS 41 HE2 LYS 41 -16.181 -11.784 -0.487 320 HE3 LYS 41 HE3 LYS 41 -15.003 -11.376 0.773 321 HZ1 LYS 41 HZ1 LYS 41 -16.408 -13.189 1.481 322 HZ2 LYS 41 HZ2 LYS 41 -17.766 -12.321 1.264 323 HZ3 LYS 41 HZ3 LYS 41 -16.684 -11.869 2.431 324 H GLN 42 H GLN 42 -19.345 -6.859 0.335 325 HA GLN 42 HA GLN 42 -21.969 -6.791 -1.032 326 HB2 GLN 42 HB2 GLN 42 -21.160 -5.988 1.798 327 HB3 GLN 42 HB3 GLN 42 -22.772 -5.912 1.134 328 HG2 GLN 42 HG2 GLN 42 -22.916 -7.858 2.272 329 HG3 GLN 42 HG3 GLN 42 -22.596 -8.426 0.644 330 HE21 GLN 42 HE21 GLN 42 -19.737 -7.191 2.503 331 HE22 GLN 42 HE22 GLN 42 -19.304 -8.761 3.120 332 H THR 43 H THR 43 -19.361 -4.584 -0.179 333 HA THR 43 HA THR 43 -20.904 -2.355 -1.416 334 HB THR 43 HB THR 43 -21.162 -2.238 0.970 335 HG1 THR 43 HG1 THR 43 -20.507 -0.199 1.302 336 HG21 THR 43 HG21 THR 43 -19.295 -3.460 1.825 337 HG22 THR 43 HG22 THR 43 -19.285 -1.834 2.486 338 HG23 THR 43 HG23 THR 43 -18.146 -2.252 1.192 339 H GLN 44 H GLN 44 -17.935 -4.034 -1.526 340 HA GLN 44 HA GLN 44 -15.825 -3.556 -2.222 341 HB2 GLN 44 HB2 GLN 44 -17.152 -1.807 -4.300 342 HB3 GLN 44 HB3 GLN 44 -15.576 -2.586 -4.375 343 HG2 GLN 44 HG2 GLN 44 -16.821 -3.970 -5.706 344 HG3 GLN 44 HG3 GLN 44 -16.886 -4.844 -4.172 345 HE21 GLN 44 HE21 GLN 44 -19.041 -5.578 -3.704 346 HE22 GLN 44 HE22 GLN 44 -20.441 -4.734 -4.239 347 H LEU 45 H LEU 45 -16.201 -2.208 0.000 348 HA LEU 45 HA LEU 45 -14.922 0.455 -0.452 349 HB2 LEU 45 HB2 LEU 45 -15.796 -0.892 2.126 350 HB3 LEU 45 HB3 LEU 45 -15.143 0.730 1.988 351 HG LEU 45 HG LEU 45 -17.727 -0.122 0.641 352 HD11 LEU 45 HD11 LEU 45 -17.477 1.451 3.232 353 HD12 LEU 45 HD12 LEU 45 -17.806 -0.295 3.175 354 HD13 LEU 45 HD13 LEU 45 -18.954 0.826 2.451 355 HD21 LEU 45 HD21 LEU 45 -16.629 2.638 1.226 356 HD22 LEU 45 HD22 LEU 45 -18.152 2.252 0.406 357 HD23 LEU 45 HD23 LEU 45 -16.609 1.826 -0.353 358 H ASN 46 H ASN 46 -12.896 0.713 0.360 359 HA ASN 46 HA ASN 46 -11.167 -1.666 0.388 360 HB2 ASN 46 HB2 ASN 46 -10.580 1.241 1.158 361 HB3 ASN 46 HB3 ASN 46 -9.430 -0.022 1.101 362 HD21 ASN 46 HD21 ASN 46 -9.863 2.573 -0.510 363 HD22 ASN 46 HD22 ASN 46 -9.998 2.116 -2.178 364 H ARG 47 H ARG 47 -10.350 -2.748 2.306 365 HA ARG 47 HA ARG 47 -11.751 -2.331 4.801 366 HB2 ARG 47 HB2 ARG 47 -9.471 -4.048 3.852 367 HB3 ARG 47 HB3 ARG 47 -9.655 -3.872 5.568 368 HG2 ARG 47 HG2 ARG 47 -11.938 -4.783 3.794 369 HG3 ARG 47 HG3 ARG 47 -10.808 -5.888 4.587 370 HD2 ARG 47 HD2 ARG 47 -12.741 -3.982 5.942 371 HD3 ARG 47 HD3 ARG 47 -12.859 -5.734 5.794 372 HE ARG 47 HE ARG 47 -10.816 -4.256 7.414 373 HH11 ARG 47 HH11 ARG 47 -12.734 -7.221 6.866 374 HH12 ARG 47 HH12 ARG 47 -12.185 -8.003 8.288 375 HH21 ARG 47 HH21 ARG 47 -10.083 -5.377 9.401 376 HH22 ARG 47 HH22 ARG 47 -10.443 -7.045 9.533 377 H GLY 48 H GLY 48 -8.997 -0.748 3.532 378 HA2 GLY 48 HA2 GLY 48 -8.320 1.275 4.612 379 HA3 GLY 48 HA3 GLY 48 -8.512 0.527 6.181 380 H PHE 49 H PHE 49 -6.939 -1.563 3.900 381 HA PHE 49 HA PHE 49 -4.237 -0.603 4.394 382 HB2 PHE 49 HB2 PHE 49 -3.820 -3.105 5.123 383 HB3 PHE 49 HB3 PHE 49 -4.145 -1.837 6.277 384 HD1 PHE 49 HD1 PHE 49 -5.463 -4.884 4.631 385 HD2 PHE 49 HD2 PHE 49 -6.255 -1.821 7.571 386 HE1 PHE 49 HE1 PHE 49 -7.146 -6.346 5.720 387 HE2 PHE 49 HE2 PHE 49 -7.971 -3.274 8.614 388 HZ PHE 49 HZ PHE 49 -8.379 -5.567 7.702 389 H ALA 50 H ALA 50 -3.217 -0.868 2.442 390 HA ALA 50 HA ALA 50 -4.293 -2.914 0.536 391 HB1 ALA 50 HB1 ALA 50 -4.144 -0.420 -0.209 392 HB2 ALA 50 HB2 ALA 50 -2.393 -0.692 -0.235 393 HB3 ALA 50 HB3 ALA 50 -3.441 -1.664 -1.257 394 H PHE 51 H PHE 51 -3.095 -4.645 0.061 395 HA PHE 51 HA PHE 51 -0.355 -4.822 1.174 396 HB2 PHE 51 HB2 PHE 51 -2.355 -6.810 0.060 397 HB3 PHE 51 HB3 PHE 51 -0.651 -7.199 0.222 398 HD1 PHE 51 HD1 PHE 51 -0.341 -8.674 1.991 399 HD2 PHE 51 HD2 PHE 51 -3.045 -5.365 2.560 400 HE1 PHE 51 HE1 PHE 51 -0.711 -9.370 4.324 401 HE2 PHE 51 HE2 PHE 51 -3.352 -6.029 4.924 402 HZ PHE 51 HZ PHE 51 -2.198 -8.040 5.815 403 H ILE 52 H ILE 52 1.112 -3.894 -0.118 404 HA ILE 52 HA ILE 52 0.917 -4.236 -3.088 405 HB ILE 52 HB ILE 52 2.473 -2.121 -1.537 406 HG12 ILE 52 HG12 ILE 52 0.088 -1.796 -1.079 407 HG13 ILE 52 HG13 ILE 52 0.783 -0.506 -2.064 408 HG21 ILE 52 HG21 ILE 52 1.649 -2.370 -4.493 409 HG22 ILE 52 HG22 ILE 52 2.409 -0.943 -3.788 410 HG23 ILE 52 HG23 ILE 52 3.292 -2.459 -3.842 411 HD11 ILE 52 HD11 ILE 52 -0.346 -1.248 -4.016 412 HD12 ILE 52 HD12 ILE 52 -0.787 -2.799 -3.269 413 HD13 ILE 52 HD13 ILE 52 -1.526 -1.277 -2.697 414 H GLN 53 H GLN 53 2.494 -5.428 -4.031 415 HA GLN 53 HA GLN 53 4.563 -6.515 -2.290 416 HB2 GLN 53 HB2 GLN 53 3.932 -7.091 -5.193 417 HB3 GLN 53 HB3 GLN 53 5.310 -7.766 -4.338 418 HG2 GLN 53 HG2 GLN 53 3.686 -8.573 -2.544 419 HG3 GLN 53 HG3 GLN 53 2.391 -8.273 -3.720 420 HE21 GLN 53 HE21 GLN 53 5.551 -10.011 -3.234 421 HE22 GLN 53 HE22 GLN 53 5.207 -11.283 -4.354 422 H LEU 54 H LEU 54 6.792 -6.679 -3.130 423 HA LEU 54 HA LEU 54 7.759 -4.281 -4.689 424 HB2 LEU 54 HB2 LEU 54 9.248 -5.935 -2.593 425 HB3 LEU 54 HB3 LEU 54 10.026 -4.791 -3.667 426 HG LEU 54 HG LEU 54 9.865 -3.759 -1.639 427 HD11 LEU 54 HD11 LEU 54 7.656 -2.525 -3.304 428 HD12 LEU 54 HD12 LEU 54 9.402 -2.296 -3.537 429 HD13 LEU 54 HD13 LEU 54 8.618 -1.740 -2.043 430 HD21 LEU 54 HD21 LEU 54 7.973 -3.452 -0.311 431 HD22 LEU 54 HD22 LEU 54 8.019 -5.180 -0.686 432 HD23 LEU 54 HD23 LEU 54 6.862 -4.115 -1.501 433 H SER 55 H SER 55 9.785 -4.788 -5.932 434 HA SER 55 HA SER 55 9.682 -7.388 -7.226 435 HB2 SER 55 HB2 SER 55 11.213 -4.834 -7.626 436 HB3 SER 55 HB3 SER 55 11.945 -6.348 -8.181 437 HG SER 55 HG SER 55 10.095 -6.786 -9.314 438 H THR 56 H THR 56 11.597 -6.027 -4.492 439 HA THR 56 HA THR 56 12.231 -8.881 -4.022 440 HB THR 56 HB THR 56 14.531 -8.206 -3.130 441 HG1 THR 56 HG1 THR 56 14.248 -6.149 -5.023 442 HG21 THR 56 HG21 THR 56 15.627 -8.578 -5.242 443 HG22 THR 56 HG22 THR 56 14.138 -8.255 -6.129 444 HG23 THR 56 HG23 THR 56 14.244 -9.659 -5.048 445 H ILE 57 H ILE 57 12.720 -9.523 -1.879 446 HA ILE 57 HA ILE 57 11.400 -8.197 0.220 447 HB ILE 57 HB ILE 57 12.545 -9.685 1.732 448 HG12 ILE 57 HG12 ILE 57 14.176 -11.440 0.384 449 HG13 ILE 57 HG13 ILE 57 14.620 -9.951 -0.411 450 HG21 ILE 57 HG21 ILE 57 11.825 -11.768 0.840 451 HG22 ILE 57 HG22 ILE 57 10.754 -10.537 0.182 452 HG23 ILE 57 HG23 ILE 57 12.031 -11.238 -0.826 453 HD11 ILE 57 HD11 ILE 57 14.684 -10.505 2.597 454 HD12 ILE 57 HD12 ILE 57 16.086 -10.416 1.511 455 HD13 ILE 57 HD13 ILE 57 15.136 -8.959 1.863 456 H VAL 58 H VAL 58 14.690 -7.780 -0.941 457 HA VAL 58 HA VAL 58 15.610 -6.215 1.300 458 HB VAL 58 HB VAL 58 16.774 -6.319 -1.515 459 HG11 VAL 58 HG11 VAL 58 18.912 -5.941 -0.335 460 HG12 VAL 58 HG12 VAL 58 17.761 -4.646 0.029 461 HG13 VAL 58 HG13 VAL 58 18.052 -5.914 1.224 462 HG21 VAL 58 HG21 VAL 58 17.256 -8.274 0.772 463 HG22 VAL 58 HG22 VAL 58 16.510 -8.640 -0.805 464 HG23 VAL 58 HG23 VAL 58 18.211 -8.184 -0.716 465 H GLU 59 H GLU 59 14.158 -5.489 -1.919 466 HA GLU 59 HA GLU 59 14.309 -2.646 -1.763 467 HB2 GLU 59 HB2 GLU 59 12.596 -4.658 -3.172 468 HB3 GLU 59 HB3 GLU 59 12.029 -2.995 -3.109 469 HG2 GLU 59 HG2 GLU 59 13.898 -2.162 -4.283 470 HG3 GLU 59 HG3 GLU 59 14.859 -3.617 -3.971 471 H ALA 60 H ALA 60 11.950 -5.003 -0.366 472 HA ALA 60 HA ALA 60 10.092 -3.101 0.494 473 HB1 ALA 60 HB1 ALA 60 9.841 -5.612 0.589 474 HB2 ALA 60 HB2 ALA 60 10.793 -5.582 2.080 475 HB3 ALA 60 HB3 ALA 60 9.230 -4.729 2.007 476 H ALA 61 H ALA 61 12.826 -4.345 2.488 477 HA ALA 61 HA ALA 61 12.243 -2.482 4.636 478 HB1 ALA 61 HB1 ALA 61 14.381 -3.272 5.569 479 HB2 ALA 61 HB2 ALA 61 13.359 -4.629 5.056 480 HB3 ALA 61 HB3 ALA 61 14.743 -4.123 4.051 481 H GLN 62 H GLN 62 14.114 -2.166 1.697 482 HA GLN 62 HA GLN 62 15.542 0.229 2.547 483 HB2 GLN 62 HB2 GLN 62 14.988 -1.080 -0.086 484 HB3 GLN 62 HB3 GLN 62 15.675 0.536 -0.002 485 HG2 GLN 62 HG2 GLN 62 17.556 -0.206 1.352 486 HG3 GLN 62 HG3 GLN 62 16.864 -1.838 1.478 487 HE21 GLN 62 HE21 GLN 62 16.308 -2.839 -0.612 488 HE22 GLN 62 HE22 GLN 62 17.032 -2.229 -2.103 489 H LEU 63 H LEU 63 12.830 -0.287 0.263 490 HA LEU 63 HA LEU 63 12.023 2.339 -0.069 491 HB2 LEU 63 HB2 LEU 63 10.559 -0.305 -0.325 492 HB3 LEU 63 HB3 LEU 63 9.648 1.185 -0.290 493 HG LEU 63 HG LEU 63 11.134 2.100 -2.101 494 HD11 LEU 63 HD11 LEU 63 12.942 0.423 -2.005 495 HD12 LEU 63 HD12 LEU 63 12.221 0.529 -3.615 496 HD13 LEU 63 HD13 LEU 63 11.792 -0.817 -2.544 497 HD21 LEU 63 HD21 LEU 63 9.295 1.724 -3.353 498 HD22 LEU 63 HD22 LEU 63 8.743 0.556 -2.182 499 HD23 LEU 63 HD23 LEU 63 9.713 0.012 -3.545 500 H LEU 64 H LEU 64 10.864 0.062 2.469 501 HA LEU 64 HA LEU 64 8.834 1.539 3.533 502 HB2 LEU 64 HB2 LEU 64 9.677 -0.741 4.223 503 HB3 LEU 64 HB3 LEU 64 10.890 0.050 5.226 504 HG LEU 64 HG LEU 64 8.982 -0.828 6.455 505 HD11 LEU 64 HD11 LEU 64 8.428 0.965 7.882 506 HD12 LEU 64 HD12 LEU 64 8.687 2.186 6.643 507 HD13 LEU 64 HD13 LEU 64 10.072 1.284 7.312 508 HD21 LEU 64 HD21 LEU 64 7.215 1.133 4.944 509 HD22 LEU 64 HD22 LEU 64 6.729 -0.102 6.137 510 HD23 LEU 64 HD23 LEU 64 7.362 -0.601 4.580 511 H GLN 65 H GLN 65 12.296 2.052 4.220 512 HA GLN 65 HA GLN 65 11.596 4.402 5.876 513 HB2 GLN 65 HB2 GLN 65 13.810 4.373 6.681 514 HB3 GLN 65 HB3 GLN 65 13.072 2.792 6.903 515 HG2 GLN 65 HG2 GLN 65 14.441 1.757 5.308 516 HG3 GLN 65 HG3 GLN 65 14.818 3.260 4.460 517 HE21 GLN 65 HE21 GLN 65 16.007 1.077 6.827 518 HE22 GLN 65 HE22 GLN 65 17.271 2.103 7.450 519 H ILE 66 H ILE 66 12.869 3.703 2.670 520 HA ILE 66 HA ILE 66 14.104 6.337 2.366 521 HB ILE 66 HB ILE 66 13.216 4.378 0.238 522 HG12 ILE 66 HG12 ILE 66 16.059 4.897 1.146 523 HG13 ILE 66 HG13 ILE 66 15.102 3.641 1.879 524 HG21 ILE 66 HG21 ILE 66 15.017 6.833 0.011 525 HG22 ILE 66 HG22 ILE 66 14.688 5.673 -1.298 526 HG23 ILE 66 HG23 ILE 66 13.386 6.665 -0.666 527 HD11 ILE 66 HD11 ILE 66 16.423 2.644 0.160 528 HD12 ILE 66 HD12 ILE 66 14.739 2.649 -0.438 529 HD13 ILE 66 HD13 ILE 66 15.917 3.827 -1.050 530 H LEU 67 H LEU 67 10.953 4.834 1.454 531 HA LEU 67 HA LEU 67 10.173 6.973 -0.155 532 HB2 LEU 67 HB2 LEU 67 8.342 5.107 1.400 533 HB3 LEU 67 HB3 LEU 67 7.852 6.198 0.135 534 HG LEU 67 HG LEU 67 9.106 3.536 -0.062 535 HD11 LEU 67 HD11 LEU 67 7.333 5.151 -1.926 536 HD12 LEU 67 HD12 LEU 67 6.789 4.003 -0.686 537 HD13 LEU 67 HD13 LEU 67 7.725 3.421 -2.064 538 HD21 LEU 67 HD21 LEU 67 10.991 4.681 -1.042 539 HD22 LEU 67 HD22 LEU 67 9.920 5.732 -2.009 540 HD23 LEU 67 HD23 LEU 67 10.020 3.999 -2.344 541 H GLN 68 H GLN 68 9.433 6.442 3.279 542 HA GLN 68 HA GLN 68 8.005 8.719 3.865 543 HB2 GLN 68 HB2 GLN 68 8.951 8.589 6.168 544 HB3 GLN 68 HB3 GLN 68 8.056 7.188 5.536 545 HG2 GLN 68 HG2 GLN 68 10.111 6.111 4.933 546 HG3 GLN 68 HG3 GLN 68 11.035 7.532 5.422 547 HE21 GLN 68 HE21 GLN 68 8.830 4.958 6.772 548 HE22 GLN 68 HE22 GLN 68 9.544 4.981 8.360 549 H ALA 69 H ALA 69 11.509 8.547 3.332 550 HA ALA 69 HA ALA 69 12.059 11.227 4.320 551 HB1 ALA 69 HB1 ALA 69 14.338 10.745 3.606 552 HB2 ALA 69 HB2 ALA 69 13.694 9.316 4.443 553 HB3 ALA 69 HB3 ALA 69 13.812 9.347 2.670 554 H LEU 70 H LEU 70 10.816 9.952 1.398 555 HA LEU 70 HA LEU 70 11.505 12.359 -0.185 556 HB2 LEU 70 HB2 LEU 70 10.567 9.623 -1.159 557 HB3 LEU 70 HB3 LEU 70 11.152 10.953 -2.153 558 HG LEU 70 HG LEU 70 12.808 9.226 -0.276 559 HD11 LEU 70 HD11 LEU 70 13.908 8.498 -2.348 560 HD12 LEU 70 HD12 LEU 70 12.803 9.520 -3.292 561 HD13 LEU 70 HD13 LEU 70 12.171 8.136 -2.374 562 HD21 LEU 70 HD21 LEU 70 13.678 11.473 -0.193 563 HD22 LEU 70 HD22 LEU 70 13.652 11.592 -1.975 564 HD23 LEU 70 HD23 LEU 70 14.753 10.453 -1.157 565 H HIS 71 H HIS 71 9.667 12.539 -1.963 566 HA HIS 71 HA HIS 71 7.595 13.013 -2.594 567 HB2 HIS 71 HB2 HIS 71 7.161 10.485 -1.046 568 HB3 HIS 71 HB3 HIS 71 5.750 11.392 -1.512 569 HD1 HIS 71 HD1 HIS 71 4.925 9.789 -3.501 570 HD2 HIS 71 HD2 HIS 71 8.910 11.179 -3.770 571 HE1 HIS 71 HE1 HIS 71 5.747 9.223 -5.827 572 HA PRO 72 HA PRO 72 5.707 15.775 0.286 573 HB2 PRO 72 HB2 PRO 72 3.143 16.041 -0.559 574 HB3 PRO 72 HB3 PRO 72 4.524 16.596 -1.542 575 HG2 PRO 72 HG2 PRO 72 3.011 13.979 -1.776 576 HG3 PRO 72 HG3 PRO 72 3.397 15.157 -3.081 577 HD2 PRO 72 HD2 PRO 72 4.933 12.980 -2.629 578 HD3 PRO 72 HD3 PRO 72 5.665 14.534 -3.098 579 HA PRO 73 HA PRO 73 3.141 13.346 3.254 580 HB2 PRO 73 HB2 PRO 73 1.313 15.124 4.189 581 HB3 PRO 73 HB3 PRO 73 3.029 15.163 4.694 582 HG2 PRO 73 HG2 PRO 73 1.686 16.847 2.548 583 HG3 PRO 73 HG3 PRO 73 2.763 17.385 3.861 584 HD2 PRO 73 HD2 PRO 73 3.710 16.944 1.363 585 HD3 PRO 73 HD3 PRO 73 4.671 16.521 2.802 586 H LEU 74 H LEU 74 2.050 11.838 1.996 587 HA LEU 74 HA LEU 74 0.194 12.830 -0.004 588 HB2 LEU 74 HB2 LEU 74 2.240 11.397 -0.482 589 HB3 LEU 74 HB3 LEU 74 1.383 10.061 0.281 590 HG LEU 74 HG LEU 74 1.189 10.041 -2.064 591 HD11 LEU 74 HD11 LEU 74 -1.578 10.786 -1.147 592 HD12 LEU 74 HD12 LEU 74 -0.775 9.238 -0.762 593 HD13 LEU 74 HD13 LEU 74 -1.123 9.711 -2.460 594 HD21 LEU 74 HD21 LEU 74 0.008 11.711 -3.442 595 HD22 LEU 74 HD22 LEU 74 1.405 12.425 -2.623 596 HD23 LEU 74 HD23 LEU 74 -0.247 12.718 -2.031 597 H THR 75 H THR 75 -1.700 12.935 0.540 598 HA THR 75 HA THR 75 -2.935 11.234 2.650 599 HB THR 75 HB THR 75 -2.906 14.239 2.657 600 HG1 THR 75 HG1 THR 75 -1.186 14.242 4.022 601 HG21 THR 75 HG21 THR 75 -4.575 13.203 4.106 602 HG22 THR 75 HG22 THR 75 -3.353 14.034 5.071 603 HG23 THR 75 HG23 THR 75 -3.308 12.286 4.966 604 H ILE 76 H ILE 76 -4.111 10.352 1.084 605 HA ILE 76 HA ILE 76 -5.905 12.042 -0.562 606 HB ILE 76 HB ILE 76 -5.825 8.999 -0.394 607 HG12 ILE 76 HG12 ILE 76 -4.585 10.978 -2.376 608 HG13 ILE 76 HG13 ILE 76 -3.707 9.964 -1.239 609 HG21 ILE 76 HG21 ILE 76 -7.164 9.094 -2.472 610 HG22 ILE 76 HG22 ILE 76 -8.014 9.855 -1.131 611 HG23 ILE 76 HG23 ILE 76 -7.204 10.853 -2.358 612 HD11 ILE 76 HD11 ILE 76 -3.487 8.975 -3.375 613 HD12 ILE 76 HD12 ILE 76 -4.538 7.946 -2.384 614 HD13 ILE 76 HD13 ILE 76 -5.237 8.983 -3.656 615 H ASP 77 H ASP 77 -7.853 12.592 0.037 616 HA ASP 77 HA ASP 77 -9.479 13.202 1.465 617 HB2 ASP 77 HB2 ASP 77 -10.139 10.958 0.306 618 HB3 ASP 77 HB3 ASP 77 -10.133 10.326 1.943 619 H GLY 78 H GLY 78 -7.287 13.603 2.805 620 HA2 GLY 78 HA2 GLY 78 -6.518 14.042 4.911 621 HA3 GLY 78 HA3 GLY 78 -8.065 13.473 5.525 622 H LYS 79 H LYS 79 -6.389 10.983 3.752 623 HA LYS 79 HA LYS 79 -5.583 9.749 6.363 624 HB2 LYS 79 HB2 LYS 79 -6.653 8.458 3.840 625 HB3 LYS 79 HB3 LYS 79 -6.202 7.669 5.321 626 HG2 LYS 79 HG2 LYS 79 -7.969 9.697 6.178 627 HG3 LYS 79 HG3 LYS 79 -8.588 9.257 4.576 628 HD2 LYS 79 HD2 LYS 79 -8.954 6.945 5.387 629 HD3 LYS 79 HD3 LYS 79 -8.385 7.445 7.005 630 HE2 LYS 79 HE2 LYS 79 -10.101 9.283 7.025 631 HE3 LYS 79 HE3 LYS 79 -10.591 8.825 5.403 632 HZ1 LYS 79 HZ1 LYS 79 -12.163 7.906 6.721 633 HZ2 LYS 79 HZ2 LYS 79 -11.140 7.353 7.895 634 HZ3 LYS 79 HZ3 LYS 79 -11.192 6.609 6.450 635 H THR 80 H THR 80 -3.337 10.227 6.429 636 HA THR 80 HA THR 80 -1.916 10.210 3.913 637 HB THR 80 HB THR 80 -1.515 11.799 5.869 638 HG1 THR 80 HG1 THR 80 0.884 10.388 5.121 639 HG21 THR 80 HG21 THR 80 -1.508 9.998 7.494 640 HG22 THR 80 HG22 THR 80 -0.094 11.060 7.604 641 HG23 THR 80 HG23 THR 80 0.060 9.455 6.799 642 H ILE 81 H ILE 81 -0.695 8.752 3.175 643 HA ILE 81 HA ILE 81 -1.307 6.004 3.973 644 HB ILE 81 HB ILE 81 0.625 6.814 1.796 645 HG12 ILE 81 HG12 ILE 81 -1.540 7.556 1.200 646 HG13 ILE 81 HG13 ILE 81 -1.227 6.107 0.284 647 HG21 ILE 81 HG21 ILE 81 1.252 4.609 2.470 648 HG22 ILE 81 HG22 ILE 81 -0.432 4.117 2.716 649 HG23 ILE 81 HG23 ILE 81 0.191 4.389 1.071 650 HD11 ILE 81 HD11 ILE 81 -2.570 4.799 2.080 651 HD12 ILE 81 HD12 ILE 81 -3.114 6.378 2.692 652 HD13 ILE 81 HD13 ILE 81 -3.475 5.888 1.030 653 H ASN 82 H ASN 82 -0.625 5.008 5.686 654 HA ASN 82 HA ASN 82 1.908 5.723 6.924 655 HB2 ASN 82 HB2 ASN 82 -0.433 4.655 7.894 656 HB3 ASN 82 HB3 ASN 82 0.577 3.193 7.736 657 HD21 ASN 82 HD21 ASN 82 -0.453 4.700 10.204 658 HD22 ASN 82 HD22 ASN 82 1.029 5.161 11.009 659 H VAL 83 H VAL 83 3.432 3.869 7.590 660 HA VAL 83 HA VAL 83 4.093 2.271 5.180 661 HB VAL 83 HB VAL 83 6.394 3.075 5.600 662 HG11 VAL 83 HG11 VAL 83 4.825 4.236 4.004 663 HG12 VAL 83 HG12 VAL 83 4.436 5.394 5.286 664 HG13 VAL 83 HG13 VAL 83 6.082 5.297 4.669 665 HG21 VAL 83 HG21 VAL 83 6.395 3.692 7.954 666 HG22 VAL 83 HG22 VAL 83 6.799 5.094 6.968 667 HG23 VAL 83 HG23 VAL 83 5.185 4.965 7.670 668 H GLU 84 H GLU 84 2.793 0.665 6.477 669 HA GLU 84 HA GLU 84 4.389 -0.570 8.699 670 HB2 GLU 84 HB2 GLU 84 1.503 -0.945 7.852 671 HB3 GLU 84 HB3 GLU 84 2.288 -1.863 9.131 672 HG2 GLU 84 HG2 GLU 84 1.931 1.173 9.128 673 HG3 GLU 84 HG3 GLU 84 0.866 0.040 9.932 674 H PHE 85 H PHE 85 4.996 -2.879 8.563 675 HA PHE 85 HA PHE 85 5.315 -3.843 5.806 676 HB2 PHE 85 HB2 PHE 85 6.089 -4.878 8.545 677 HB3 PHE 85 HB3 PHE 85 6.076 -5.958 7.165 678 HD1 PHE 85 HD1 PHE 85 8.200 -3.921 9.049 679 HD2 PHE 85 HD2 PHE 85 7.279 -4.902 4.934 680 HE1 PHE 85 HE1 PHE 85 10.504 -3.236 8.331 681 HE2 PHE 85 HE2 PHE 85 9.560 -4.199 4.274 682 HZ PHE 85 HZ PHE 85 11.166 -3.415 6.024 683 H ALA 86 H ALA 86 4.503 -5.892 5.024 684 HA ALA 86 HA ALA 86 1.962 -6.791 6.256 685 HB1 ALA 86 HB1 ALA 86 1.933 -6.116 3.825 686 HB2 ALA 86 HB2 ALA 86 3.146 -7.371 3.527 687 HB3 ALA 86 HB3 ALA 86 1.530 -7.824 4.081 688 H LYS 87 H LYS 87 1.585 -9.091 6.106 689 HA LYS 87 HA LYS 87 3.858 -10.978 6.010 690 HB2 LYS 87 HB2 LYS 87 1.729 -10.705 8.172 691 HB3 LYS 87 HB3 LYS 87 2.474 -12.251 7.799 692 HG2 LYS 87 HG2 LYS 87 4.668 -11.450 8.366 693 HG3 LYS 87 HG3 LYS 87 4.099 -9.787 8.583 694 HD2 LYS 87 HD2 LYS 87 3.092 -12.138 10.217 695 HD3 LYS 87 HD3 LYS 87 4.455 -11.127 10.719 696 HE2 LYS 87 HE2 LYS 87 3.075 -9.157 10.891 697 HE3 LYS 87 HE3 LYS 87 1.700 -9.992 10.158 698 HZ1 LYS 87 HZ1 LYS 87 1.691 -11.489 12.072 699 HZ2 LYS 87 HZ2 LYS 87 1.425 -9.918 12.506 700 HZ3 LYS 87 HZ3 LYS 87 2.889 -10.590 12.788 701 H GLY 88 H GLY 88 3.238 -12.758 4.692 702 HA2 GLY 88 HA2 GLY 88 0.754 -12.322 3.164 703 HA3 GLY 88 HA3 GLY 88 2.103 -13.402 2.777 704 H SER 89 H SER 89 0.210 -13.208 5.812 705 HA SER 89 HA SER 89 -0.135 -14.795 7.313 706 HB2 SER 89 HB2 SER 89 -1.023 -16.538 5.018 707 HB3 SER 89 HB3 SER 89 -1.210 -16.915 6.731 708 HG SER 89 HG SER 89 -2.545 -15.146 5.047 Start of MODEL 3 1 H1 GLY 1 H GLY 1 5.897 -7.494 8.047 2 HA2 GLY 1 HA2 GLY 1 8.146 -9.046 9.190 3 HA3 GLY 1 HA3 GLY 1 6.895 -9.711 8.108 4 H HIS 2 H HIS 2 8.098 -10.184 6.325 5 HA HIS 2 HA HIS 2 8.664 -7.865 4.637 6 HB2 HIS 2 HB2 HIS 2 10.716 -10.080 5.136 7 HB3 HIS 2 HB3 HIS 2 10.606 -9.261 3.599 8 HD1 HIS 2 HD1 HIS 2 11.126 -8.128 7.311 9 HD2 HIS 2 HD2 HIS 2 11.848 -7.034 3.308 10 HE1 HIS 2 HE1 HIS 2 12.446 -5.963 7.378 11 H MET 3 H MET 3 9.309 -11.263 4.126 12 HA MET 3 HA MET 3 8.985 -12.413 2.298 13 HB2 MET 3 HB2 MET 3 6.078 -11.698 2.758 14 HB3 MET 3 HB3 MET 3 6.607 -12.386 1.227 15 HG2 MET 3 HG2 MET 3 5.817 -14.154 2.597 16 HG3 MET 3 HG3 MET 3 7.538 -14.329 2.299 17 HE1 MET 3 HE1 MET 3 8.395 -15.900 4.127 18 HE2 MET 3 HE2 MET 3 7.529 -16.052 5.673 19 HE3 MET 3 HE3 MET 3 6.661 -16.267 4.136 20 H ASP 4 H ASP 4 6.686 -9.892 1.341 21 HA ASP 4 HA ASP 4 8.336 -8.520 -0.638 22 HB2 ASP 4 HB2 ASP 4 7.482 -9.900 -2.551 23 HB3 ASP 4 HB3 ASP 4 8.645 -10.753 -1.536 24 H THR 5 H THR 5 6.254 -7.824 1.298 25 HA THR 5 HA THR 5 4.499 -6.502 -0.532 26 HB THR 5 HB THR 5 3.251 -8.384 1.521 27 HG1 THR 5 HG1 THR 5 3.954 -9.366 -0.481 28 HG21 THR 5 HG21 THR 5 1.910 -6.356 1.336 29 HG22 THR 5 HG22 THR 5 1.122 -7.704 0.529 30 HG23 THR 5 HG23 THR 5 1.952 -6.465 -0.441 31 H ILE 6 H ILE 6 4.003 -4.576 0.191 32 HA ILE 6 HA ILE 6 4.532 -3.893 3.053 33 HB ILE 6 HB ILE 6 4.577 -2.094 0.626 34 HG12 ILE 6 HG12 ILE 6 6.884 -3.070 2.370 35 HG13 ILE 6 HG13 ILE 6 6.545 -3.621 0.735 36 HG21 ILE 6 HG21 ILE 6 5.384 -0.313 2.119 37 HG22 ILE 6 HG22 ILE 6 3.852 -0.891 2.730 38 HG23 ILE 6 HG23 ILE 6 5.378 -1.419 3.491 39 HD11 ILE 6 HD11 ILE 6 8.250 -2.041 0.488 40 HD12 ILE 6 HD12 ILE 6 6.794 -1.200 -0.027 41 HD13 ILE 6 HD13 ILE 6 7.508 -0.874 1.579 42 H ILE 7 H ILE 7 2.975 -2.631 4.077 43 HA ILE 7 HA ILE 7 0.238 -2.874 3.010 44 HB ILE 7 HB ILE 7 1.222 -2.995 5.873 45 HG12 ILE 7 HG12 ILE 7 0.290 -5.084 3.899 46 HG13 ILE 7 HG13 ILE 7 1.734 -5.054 4.895 47 HG21 ILE 7 HG21 ILE 7 -0.928 -1.766 5.669 48 HG22 ILE 7 HG22 ILE 7 -1.620 -3.206 4.853 49 HG23 ILE 7 HG23 ILE 7 -1.076 -3.267 6.557 50 HD11 ILE 7 HD11 ILE 7 0.156 -6.725 5.704 51 HD12 ILE 7 HD12 ILE 7 0.305 -5.422 6.920 52 HD13 ILE 7 HD13 ILE 7 -1.122 -5.519 5.862 53 H LEU 8 H LEU 8 -0.375 -0.953 2.242 54 HA LEU 8 HA LEU 8 0.439 1.536 3.633 55 HB2 LEU 8 HB2 LEU 8 -1.874 1.464 1.657 56 HB3 LEU 8 HB3 LEU 8 -0.832 2.742 2.196 57 HG LEU 8 HG LEU 8 -0.314 2.358 -0.016 58 HD11 LEU 8 HD11 LEU 8 1.691 2.745 1.352 59 HD12 LEU 8 HD12 LEU 8 2.025 1.726 -0.067 60 HD13 LEU 8 HD13 LEU 8 1.923 0.995 1.539 61 HD21 LEU 8 HD21 LEU 8 -1.160 -0.231 0.388 62 HD22 LEU 8 HD22 LEU 8 0.570 -0.450 0.104 63 HD23 LEU 8 HD23 LEU 8 -0.434 0.436 -1.082 64 H ARG 9 H ARG 9 -0.413 1.596 5.625 65 HA ARG 9 HA ARG 9 -3.128 0.738 6.351 66 HB2 ARG 9 HB2 ARG 9 -0.703 1.133 7.764 67 HB3 ARG 9 HB3 ARG 9 -1.676 2.550 8.198 68 HG2 ARG 9 HG2 ARG 9 -2.697 -0.207 8.401 69 HG3 ARG 9 HG3 ARG 9 -1.688 0.476 9.680 70 HD2 ARG 9 HD2 ARG 9 -3.543 2.517 9.322 71 HD3 ARG 9 HD3 ARG 9 -4.533 1.081 9.040 72 HE ARG 9 HE ARG 9 -4.500 0.690 11.273 73 HH11 ARG 9 HH11 ARG 9 -1.484 2.541 10.685 74 HH12 ARG 9 HH12 ARG 9 -1.348 3.077 12.303 75 HH21 ARG 9 HH21 ARG 9 -4.260 1.463 13.489 76 HH22 ARG 9 HH22 ARG 9 -2.867 2.378 13.902 77 H ASN 10 H ASN 10 -4.551 2.544 7.278 78 HA ASN 10 HA ASN 10 -5.665 4.483 7.188 79 HB2 ASN 10 HB2 ASN 10 -2.886 5.548 6.625 80 HB3 ASN 10 HB3 ASN 10 -4.268 6.610 6.565 81 HD21 ASN 10 HD21 ASN 10 -2.083 6.808 8.228 82 HD22 ASN 10 HD22 ASN 10 -2.640 6.711 9.871 83 H LEU 11 H LEU 11 -5.678 2.680 4.937 84 HA LEU 11 HA LEU 11 -6.064 4.494 2.604 85 HB2 LEU 11 HB2 LEU 11 -6.032 1.531 3.087 86 HB3 LEU 11 HB3 LEU 11 -7.005 2.130 1.773 87 HG LEU 11 HG LEU 11 -5.122 2.987 0.646 88 HD11 LEU 11 HD11 LEU 11 -4.028 4.219 2.394 89 HD12 LEU 11 HD12 LEU 11 -2.942 3.369 1.344 90 HD13 LEU 11 HD13 LEU 11 -3.315 2.730 2.986 91 HD21 LEU 11 HD21 LEU 11 -5.282 0.555 0.630 92 HD22 LEU 11 HD22 LEU 11 -3.892 0.570 1.731 93 HD23 LEU 11 HD23 LEU 11 -3.752 1.275 0.121 94 H ASN 12 H ASN 12 -7.708 5.809 2.868 95 HA ASN 12 HA ASN 12 -10.003 5.562 4.351 96 HB2 ASN 12 HB2 ASN 12 -9.151 7.571 3.017 97 HB3 ASN 12 HB3 ASN 12 -9.820 6.826 1.572 98 HD21 ASN 12 HD21 ASN 12 -11.799 7.889 1.111 99 HD22 ASN 12 HD22 ASN 12 -13.002 8.126 2.328 100 HA PRO 13 HA PRO 13 -12.155 2.199 2.506 101 HB2 PRO 13 HB2 PRO 13 -14.830 2.945 2.788 102 HB3 PRO 13 HB3 PRO 13 -13.798 2.148 3.997 103 HG2 PRO 13 HG2 PRO 13 -14.357 5.106 3.655 104 HG3 PRO 13 HG3 PRO 13 -14.316 4.161 5.158 105 HD2 PRO 13 HD2 PRO 13 -12.256 5.662 4.490 106 HD3 PRO 13 HD3 PRO 13 -11.857 4.052 5.087 107 H HIS 14 H HIS 14 -12.693 5.361 1.253 108 HA HIS 14 HA HIS 14 -13.487 4.245 -1.424 109 HB2 HIS 14 HB2 HIS 14 -13.922 6.986 -0.215 110 HB3 HIS 14 HB3 HIS 14 -14.373 6.541 -1.850 111 HD1 HIS 14 HD1 HIS 14 -16.899 6.722 -1.805 112 HD2 HIS 14 HD2 HIS 14 -15.284 4.677 1.499 113 HE1 HIS 14 HE1 HIS 14 -18.876 5.891 -0.388 114 H SER 15 H SER 15 -10.579 4.907 -0.152 115 HA SER 15 HA SER 15 -9.560 7.090 -1.743 116 HB2 SER 15 HB2 SER 15 -7.354 6.045 -1.253 117 HB3 SER 15 HB3 SER 15 -8.345 6.181 0.206 118 HG SER 15 HG SER 15 -8.664 3.893 -1.286 119 H THR 16 H THR 16 -8.417 7.021 -3.863 120 HA THR 16 HA THR 16 -9.115 4.621 -5.400 121 HB THR 16 HB THR 16 -8.500 5.989 -7.334 122 HG1 THR 16 HG1 THR 16 -8.094 8.115 -7.117 123 HG21 THR 16 HG21 THR 16 -10.580 7.284 -5.511 124 HG22 THR 16 HG22 THR 16 -10.848 5.819 -6.487 125 HG23 THR 16 HG23 THR 16 -10.527 7.371 -7.274 126 H MET 17 H MET 17 -7.727 3.104 -5.799 127 HA MET 17 HA MET 17 -5.117 2.997 -4.784 128 HB2 MET 17 HB2 MET 17 -4.723 1.144 -6.031 129 HB3 MET 17 HB3 MET 17 -6.338 1.075 -5.336 130 HG2 MET 17 HG2 MET 17 -6.078 2.134 -8.149 131 HG3 MET 17 HG3 MET 17 -5.619 0.523 -7.801 132 HE1 MET 17 HE1 MET 17 -8.338 2.339 -9.337 133 HE2 MET 17 HE2 MET 17 -9.861 1.955 -8.479 134 HE3 MET 17 HE3 MET 17 -8.683 3.069 -7.731 135 H ASP 18 H ASP 18 -6.199 4.642 -7.632 136 HA ASP 18 HA ASP 18 -3.860 4.428 -9.250 137 HB2 ASP 18 HB2 ASP 18 -6.020 5.068 -10.141 138 HB3 ASP 18 HB3 ASP 18 -6.055 6.527 -9.136 139 H SER 19 H SER 19 -4.844 6.761 -6.678 140 HA SER 19 HA SER 19 -2.400 8.371 -7.075 141 HB2 SER 19 HB2 SER 19 -4.869 8.524 -5.347 142 HB3 SER 19 HB3 SER 19 -3.347 9.178 -4.691 143 HG SER 19 HG SER 19 -4.347 9.837 -7.251 144 H ILE 20 H ILE 20 -3.716 5.877 -4.840 145 HA ILE 20 HA ILE 20 -1.506 6.071 -3.056 146 HB ILE 20 HB ILE 20 -3.297 3.719 -3.629 147 HG12 ILE 20 HG12 ILE 20 -3.660 5.634 -1.300 148 HG13 ILE 20 HG13 ILE 20 -4.419 5.936 -2.861 149 HG21 ILE 20 HG21 ILE 20 -1.255 3.062 -2.302 150 HG22 ILE 20 HG22 ILE 20 -1.573 4.392 -1.169 151 HG23 ILE 20 HG23 ILE 20 -2.669 2.999 -1.260 152 HD11 ILE 20 HD11 ILE 20 -5.856 4.151 -2.706 153 HD12 ILE 20 HD12 ILE 20 -4.791 3.228 -1.631 154 HD13 ILE 20 HD13 ILE 20 -5.668 4.622 -0.997 155 H LEU 21 H LEU 21 -1.900 4.320 -6.142 156 HA LEU 21 HA LEU 21 0.682 2.952 -6.000 157 HB2 LEU 21 HB2 LEU 21 -1.229 3.622 -8.285 158 HB3 LEU 21 HB3 LEU 21 0.366 2.947 -8.565 159 HG LEU 21 HG LEU 21 -1.898 1.554 -7.070 160 HD11 LEU 21 HD11 LEU 21 -1.814 0.005 -9.026 161 HD12 LEU 21 HD12 LEU 21 -0.658 1.090 -9.799 162 HD13 LEU 21 HD13 LEU 21 -2.305 1.652 -9.433 163 HD21 LEU 21 HD21 LEU 21 0.938 0.625 -7.757 164 HD22 LEU 21 HD22 LEU 21 -0.355 -0.436 -7.173 165 HD23 LEU 21 HD23 LEU 21 0.265 0.839 -6.124 166 H GLY 22 H GLY 22 -0.546 5.875 -7.806 167 HA2 GLY 22 HA2 GLY 22 2.010 6.314 -8.841 168 HA3 GLY 22 HA3 GLY 22 0.674 7.495 -8.872 169 H ALA 23 H ALA 23 0.901 7.234 -5.665 170 HA ALA 23 HA ALA 23 3.377 8.924 -5.384 171 HB1 ALA 23 HB1 ALA 23 2.146 10.038 -3.574 172 HB2 ALA 23 HB2 ALA 23 1.197 10.113 -5.074 173 HB3 ALA 23 HB3 ALA 23 0.767 8.952 -3.824 174 H LEU 24 H LEU 24 2.582 5.767 -4.846 175 HA LEU 24 HA LEU 24 4.481 5.650 -2.605 176 HB2 LEU 24 HB2 LEU 24 1.755 5.725 -1.985 177 HB3 LEU 24 HB3 LEU 24 2.068 4.012 -2.043 178 HG LEU 24 HG LEU 24 2.203 4.862 0.197 179 HD11 LEU 24 HD11 LEU 24 5.046 4.236 -0.633 180 HD12 LEU 24 HD12 LEU 24 3.789 3.019 -0.389 181 HD13 LEU 24 HD13 LEU 24 4.320 4.021 0.976 182 HD21 LEU 24 HD21 LEU 24 4.587 6.592 -0.545 183 HD22 LEU 24 HD22 LEU 24 3.722 6.469 1.023 184 HD23 LEU 24 HD23 LEU 24 2.942 7.200 -0.379 185 H ALA 25 H ALA 25 3.860 4.566 -5.575 186 HA ALA 25 HA ALA 25 5.129 1.943 -4.998 187 HB1 ALA 25 HB1 ALA 25 2.698 1.692 -5.478 188 HB2 ALA 25 HB2 ALA 25 2.969 2.479 -7.065 189 HB3 ALA 25 HB3 ALA 25 3.741 0.916 -6.692 190 HA PRO 26 HA PRO 26 7.334 4.335 -8.358 191 HB2 PRO 26 HB2 PRO 26 9.660 5.078 -7.065 192 HB3 PRO 26 HB3 PRO 26 8.140 6.015 -7.069 193 HG2 PRO 26 HG2 PRO 26 9.097 4.071 -4.971 194 HG3 PRO 26 HG3 PRO 26 8.512 5.746 -4.731 195 HD2 PRO 26 HD2 PRO 26 6.846 3.588 -4.420 196 HD3 PRO 26 HD3 PRO 26 6.310 5.121 -5.179 197 H TYR 27 H TYR 27 8.310 1.614 -6.365 198 HA TYR 27 HA TYR 27 10.378 0.890 -8.422 199 HB2 TYR 27 HB2 TYR 27 10.486 0.399 -5.427 200 HB3 TYR 27 HB3 TYR 27 11.625 -0.179 -6.597 201 HD1 TYR 27 HD1 TYR 27 10.645 2.653 -4.569 202 HD2 TYR 27 HD2 TYR 27 13.088 1.388 -7.869 203 HE1 TYR 27 HE1 TYR 27 11.931 4.762 -4.405 204 HE2 TYR 27 HE2 TYR 27 14.448 3.442 -7.673 205 HH TYR 27 HH TYR 27 13.451 6.140 -5.611 206 H ALA 28 H ALA 28 7.685 -0.088 -6.541 207 HA ALA 28 HA ALA 28 7.967 -2.971 -6.910 208 HB1 ALA 28 HB1 ALA 28 5.656 -3.064 -6.230 209 HB2 ALA 28 HB2 ALA 28 6.524 -2.022 -5.107 210 HB3 ALA 28 HB3 ALA 28 5.471 -1.301 -6.353 211 H VAL 29 H VAL 29 8.063 -3.713 -8.913 212 HA VAL 29 HA VAL 29 7.132 -2.193 -11.205 213 HB VAL 29 HB VAL 29 8.441 -4.939 -11.030 214 HG11 VAL 29 HG11 VAL 29 7.277 -4.252 -13.258 215 HG12 VAL 29 HG12 VAL 29 8.557 -3.029 -13.382 216 HG13 VAL 29 HG13 VAL 29 8.962 -4.767 -13.303 217 HG21 VAL 29 HG21 VAL 29 9.967 -3.379 -10.026 218 HG22 VAL 29 HG22 VAL 29 10.518 -3.627 -11.675 219 HG23 VAL 29 HG23 VAL 29 9.636 -2.148 -11.264 220 H LEU 30 H LEU 30 4.908 -2.221 -10.402 221 HA LEU 30 HA LEU 30 3.400 -4.676 -11.167 222 HB2 LEU 30 HB2 LEU 30 2.256 -2.858 -9.096 223 HB3 LEU 30 HB3 LEU 30 1.997 -4.580 -9.332 224 HG LEU 30 HG LEU 30 4.420 -3.277 -8.065 225 HD11 LEU 30 HD11 LEU 30 3.530 -3.886 -5.966 226 HD12 LEU 30 HD12 LEU 30 2.248 -4.854 -6.681 227 HD13 LEU 30 HD13 LEU 30 2.222 -3.078 -6.829 228 HD21 LEU 30 HD21 LEU 30 5.003 -5.526 -9.002 229 HD22 LEU 30 HD22 LEU 30 3.683 -6.240 -8.073 230 HD23 LEU 30 HD23 LEU 30 5.061 -5.491 -7.241 231 H SER 31 H SER 31 0.979 -4.049 -11.375 232 HA SER 31 HA SER 31 0.070 -1.459 -11.668 233 HB2 SER 31 HB2 SER 31 -0.363 -1.446 -14.207 234 HB3 SER 31 HB3 SER 31 1.239 -0.960 -13.659 235 HG SER 31 HG SER 31 1.219 -2.384 -15.472 236 H SER 32 H SER 32 -2.117 -1.617 -11.723 237 HA SER 32 HA SER 32 -4.016 -2.533 -11.095 238 HB2 SER 32 HB2 SER 32 -4.068 -2.526 -13.607 239 HB3 SER 32 HB3 SER 32 -3.714 -4.265 -13.567 240 HG SER 32 HG SER 32 -5.901 -2.853 -12.436 241 H SER 33 H SER 33 -2.485 -5.554 -12.286 242 HA SER 33 HA SER 33 -3.979 -7.355 -10.790 243 HB2 SER 33 HB2 SER 33 -1.267 -7.441 -12.210 244 HB3 SER 33 HB3 SER 33 -2.095 -8.892 -11.646 245 HG SER 33 HG SER 33 -3.728 -8.565 -12.964 246 H ASN 34 H ASN 34 -2.210 -5.420 -9.060 247 HA ASN 34 HA ASN 34 -1.679 -7.558 -7.028 248 HB2 ASN 34 HB2 ASN 34 0.215 -5.416 -7.980 249 HB3 ASN 34 HB3 ASN 34 0.189 -5.804 -6.267 250 HD21 ASN 34 HD21 ASN 34 1.521 -6.917 -9.285 251 HD22 ASN 34 HD22 ASN 34 2.137 -8.370 -8.559 252 H VAL 35 H VAL 35 -3.230 -4.595 -7.805 253 HA VAL 35 HA VAL 35 -3.151 -3.438 -5.156 254 HB VAL 35 HB VAL 35 -5.030 -2.880 -7.481 255 HG11 VAL 35 HG11 VAL 35 -5.644 -2.151 -5.015 256 HG12 VAL 35 HG12 VAL 35 -4.293 -1.016 -5.185 257 HG13 VAL 35 HG13 VAL 35 -5.695 -1.001 -6.305 258 HG21 VAL 35 HG21 VAL 35 -2.430 -1.504 -6.661 259 HG22 VAL 35 HG22 VAL 35 -2.691 -2.433 -8.154 260 HG23 VAL 35 HG23 VAL 35 -3.575 -0.919 -7.892 261 H ARG 36 H ARG 36 -3.815 -4.989 -3.701 262 HA ARG 36 HA ARG 36 -6.725 -5.647 -3.898 263 HB2 ARG 36 HB2 ARG 36 -4.893 -7.557 -3.979 264 HB3 ARG 36 HB3 ARG 36 -4.745 -7.236 -2.254 265 HG2 ARG 36 HG2 ARG 36 -6.372 -8.928 -2.413 266 HG3 ARG 36 HG3 ARG 36 -7.301 -7.459 -2.145 267 HD2 ARG 36 HD2 ARG 36 -8.439 -7.773 -4.103 268 HD3 ARG 36 HD3 ARG 36 -6.928 -7.770 -5.016 269 HE ARG 36 HE ARG 36 -8.302 -10.117 -3.825 270 HH11 ARG 36 HH11 ARG 36 -5.933 -8.992 -6.302 271 HH12 ARG 36 HH12 ARG 36 -5.198 -10.549 -6.446 272 HH21 ARG 36 HH21 ARG 36 -7.255 -12.081 -3.999 273 HH22 ARG 36 HH22 ARG 36 -6.180 -12.406 -5.336 274 H VAL 37 H VAL 37 -7.716 -4.062 -2.663 275 HA VAL 37 HA VAL 37 -6.411 -3.343 -0.101 276 HB VAL 37 HB VAL 37 -9.068 -2.218 -0.906 277 HG11 VAL 37 HG11 VAL 37 -7.937 -0.200 0.178 278 HG12 VAL 37 HG12 VAL 37 -8.067 -1.637 1.250 279 HG13 VAL 37 HG13 VAL 37 -6.561 -1.199 0.463 280 HG21 VAL 37 HG21 VAL 37 -6.540 -1.107 -2.156 281 HG22 VAL 37 HG22 VAL 37 -7.940 -1.807 -3.017 282 HG23 VAL 37 HG23 VAL 37 -8.138 -0.331 -2.054 283 H ILE 38 H ILE 38 -7.494 -6.037 -0.717 284 HA ILE 38 HA ILE 38 -8.853 -7.676 -0.046 285 HB ILE 38 HB ILE 38 -8.623 -6.278 2.621 286 HG12 ILE 38 HG12 ILE 38 -6.395 -6.152 1.731 287 HG13 ILE 38 HG13 ILE 38 -6.464 -7.364 2.983 288 HG21 ILE 38 HG21 ILE 38 -9.935 -8.350 2.761 289 HG22 ILE 38 HG22 ILE 38 -8.677 -9.236 1.891 290 HG23 ILE 38 HG23 ILE 38 -8.371 -8.590 3.519 291 HD11 ILE 38 HD11 ILE 38 -5.065 -8.093 1.111 292 HD12 ILE 38 HD12 ILE 38 -6.443 -9.178 1.299 293 HD13 ILE 38 HD13 ILE 38 -6.432 -7.970 -0.002 294 H LYS 39 H LYS 39 -10.227 -5.554 -1.259 295 HA LYS 39 HA LYS 39 -12.157 -4.302 0.375 296 HB2 LYS 39 HB2 LYS 39 -12.994 -3.373 -1.854 297 HB3 LYS 39 HB3 LYS 39 -11.340 -3.015 -1.392 298 HG2 LYS 39 HG2 LYS 39 -10.412 -4.543 -2.979 299 HG3 LYS 39 HG3 LYS 39 -11.974 -5.319 -3.288 300 HD2 LYS 39 HD2 LYS 39 -12.851 -3.242 -4.262 301 HD3 LYS 39 HD3 LYS 39 -11.325 -2.410 -3.901 302 HE2 LYS 39 HE2 LYS 39 -10.118 -3.920 -5.434 303 HE3 LYS 39 HE3 LYS 39 -11.621 -4.798 -5.783 304 HZ1 LYS 39 HZ1 LYS 39 -11.208 -1.916 -6.312 305 HZ2 LYS 39 HZ2 LYS 39 -12.517 -2.802 -6.746 306 HZ3 LYS 39 HZ3 LYS 39 -11.044 -3.067 -7.458 307 H ASP 40 H ASP 40 -14.420 -4.148 0.189 308 HA ASP 40 HA ASP 40 -15.416 -6.740 0.595 309 HB2 ASP 40 HB2 ASP 40 -16.088 -4.291 1.548 310 HB3 ASP 40 HB3 ASP 40 -17.380 -4.487 0.377 311 H LYS 41 H LYS 41 -16.905 -8.083 -0.440 312 HA LYS 41 HA LYS 41 -17.689 -7.532 -3.200 313 HB2 LYS 41 HB2 LYS 41 -19.183 -9.472 -2.908 314 HB3 LYS 41 HB3 LYS 41 -17.464 -9.845 -2.713 315 HG2 LYS 41 HG2 LYS 41 -17.711 -10.217 -0.394 316 HG3 LYS 41 HG3 LYS 41 -19.238 -9.357 -0.298 317 HD2 LYS 41 HD2 LYS 41 -18.894 -11.958 -1.820 318 HD3 LYS 41 HD3 LYS 41 -19.406 -11.852 -0.136 319 HE2 LYS 41 HE2 LYS 41 -21.430 -10.693 -0.677 320 HE3 LYS 41 HE3 LYS 41 -20.929 -10.446 -2.361 321 HZ1 LYS 41 HZ1 LYS 41 -22.543 -12.263 -1.984 322 HZ2 LYS 41 HZ2 LYS 41 -21.395 -13.117 -1.209 323 HZ3 LYS 41 HZ3 LYS 41 -21.185 -12.735 -2.794 324 H GLN 42 H GLN 42 -19.242 -7.211 -0.051 325 HA GLN 42 HA GLN 42 -21.911 -6.839 -1.141 326 HB2 GLN 42 HB2 GLN 42 -20.812 -6.438 1.667 327 HB3 GLN 42 HB3 GLN 42 -22.504 -6.356 1.233 328 HG2 GLN 42 HG2 GLN 42 -22.793 -8.556 1.208 329 HG3 GLN 42 HG3 GLN 42 -21.427 -8.836 0.167 330 HE21 GLN 42 HE21 GLN 42 -19.404 -7.731 2.324 331 HE22 GLN 42 HE22 GLN 42 -19.464 -8.935 3.573 332 H THR 43 H THR 43 -19.265 -4.645 -0.528 333 HA THR 43 HA THR 43 -21.085 -2.359 -1.073 334 HB THR 43 HB THR 43 -21.187 -2.741 1.294 335 HG1 THR 43 HG1 THR 43 -21.121 -0.828 1.760 336 HG21 THR 43 HG21 THR 43 -19.206 -3.914 1.844 337 HG22 THR 43 HG22 THR 43 -19.300 -2.457 2.810 338 HG23 THR 43 HG23 THR 43 -18.185 -2.515 1.429 339 H GLN 44 H GLN 44 -17.989 -3.777 -1.638 340 HA GLN 44 HA GLN 44 -16.012 -3.084 -2.344 341 HB2 GLN 44 HB2 GLN 44 -17.593 -1.171 -4.085 342 HB3 GLN 44 HB3 GLN 44 -15.926 -1.680 -4.294 343 HG2 GLN 44 HG2 GLN 44 -16.952 -3.096 -5.760 344 HG3 GLN 44 HG3 GLN 44 -16.899 -4.132 -4.331 345 HE21 GLN 44 HE21 GLN 44 -18.963 -4.956 -3.606 346 HE22 GLN 44 HE22 GLN 44 -20.449 -4.340 -4.259 347 H LEU 45 H LEU 45 -16.110 -2.328 -0.015 348 HA LEU 45 HA LEU 45 -14.990 0.424 0.037 349 HB2 LEU 45 HB2 LEU 45 -16.068 -1.171 2.380 350 HB3 LEU 45 HB3 LEU 45 -15.417 0.465 2.444 351 HG LEU 45 HG LEU 45 -17.940 -0.348 0.912 352 HD11 LEU 45 HD11 LEU 45 -19.216 0.715 2.626 353 HD12 LEU 45 HD12 LEU 45 -17.755 1.224 3.504 354 HD13 LEU 45 HD13 LEU 45 -18.204 -0.507 3.368 355 HD21 LEU 45 HD21 LEU 45 -16.845 1.540 -0.107 356 HD22 LEU 45 HD22 LEU 45 -16.740 2.383 1.449 357 HD23 LEU 45 HD23 LEU 45 -18.324 2.070 0.701 358 H ASN 46 H ASN 46 -13.058 0.564 0.970 359 HA ASN 46 HA ASN 46 -11.315 -1.764 0.699 360 HB2 ASN 46 HB2 ASN 46 -10.764 1.048 1.751 361 HB3 ASN 46 HB3 ASN 46 -9.574 -0.129 1.437 362 HD21 ASN 46 HD21 ASN 46 -9.721 2.484 0.162 363 HD22 ASN 46 HD22 ASN 46 -10.147 2.274 -1.523 364 H ARG 47 H ARG 47 -10.543 -3.095 2.410 365 HA ARG 47 HA ARG 47 -11.782 -2.997 5.031 366 HB2 ARG 47 HB2 ARG 47 -9.253 -4.310 3.992 367 HB3 ARG 47 HB3 ARG 47 -9.781 -4.508 5.649 368 HG2 ARG 47 HG2 ARG 47 -11.730 -5.225 3.423 369 HG3 ARG 47 HG3 ARG 47 -10.389 -6.293 3.832 370 HD2 ARG 47 HD2 ARG 47 -12.014 -7.199 5.112 371 HD3 ARG 47 HD3 ARG 47 -11.154 -6.186 6.272 372 HE ARG 47 HE ARG 47 -13.439 -4.950 4.919 373 HH11 ARG 47 HH11 ARG 47 -12.643 -7.179 7.514 374 HH12 ARG 47 HH12 ARG 47 -14.044 -6.896 8.470 375 HH21 ARG 47 HH21 ARG 47 -15.261 -4.380 6.181 376 HH22 ARG 47 HH22 ARG 47 -15.668 -5.311 7.595 377 H GLY 48 H GLY 48 -9.173 -1.286 3.635 378 HA2 GLY 48 HA2 GLY 48 -8.946 0.876 4.593 379 HA3 GLY 48 HA3 GLY 48 -8.744 0.174 6.185 380 H PHE 49 H PHE 49 -7.141 -1.634 3.697 381 HA PHE 49 HA PHE 49 -4.765 -0.095 3.516 382 HB2 PHE 49 HB2 PHE 49 -3.438 -2.075 4.662 383 HB3 PHE 49 HB3 PHE 49 -4.294 -1.006 5.751 384 HD1 PHE 49 HD1 PHE 49 -4.550 -4.325 4.049 385 HD2 PHE 49 HD2 PHE 49 -6.024 -1.781 7.176 386 HE1 PHE 49 HE1 PHE 49 -5.903 -6.221 4.965 387 HE2 PHE 49 HE2 PHE 49 -7.342 -3.680 8.115 388 HZ PHE 49 HZ PHE 49 -7.266 -5.904 7.001 389 H ALA 50 H ALA 50 -3.101 -1.354 2.236 390 HA ALA 50 HA ALA 50 -4.367 -3.477 0.567 391 HB1 ALA 50 HB1 ALA 50 -3.635 -2.385 -1.518 392 HB2 ALA 50 HB2 ALA 50 -4.757 -1.335 -0.665 393 HB3 ALA 50 HB3 ALA 50 -3.023 -1.003 -0.615 394 H PHE 51 H PHE 51 -2.960 -4.703 -0.686 395 HA PHE 51 HA PHE 51 -0.340 -5.074 0.649 396 HB2 PHE 51 HB2 PHE 51 -2.405 -6.844 -0.671 397 HB3 PHE 51 HB3 PHE 51 -0.758 -7.396 -0.462 398 HD1 PHE 51 HD1 PHE 51 -0.495 -8.905 1.281 399 HD2 PHE 51 HD2 PHE 51 -3.286 -5.648 1.787 400 HE1 PHE 51 HE1 PHE 51 -0.976 -9.673 3.569 401 HE2 PHE 51 HE2 PHE 51 -3.759 -6.453 4.088 402 HZ PHE 51 HZ PHE 51 -2.612 -8.453 4.982 403 H ILE 52 H ILE 52 0.615 -3.406 -0.719 404 HA ILE 52 HA ILE 52 1.035 -3.943 -3.578 405 HB ILE 52 HB ILE 52 2.323 -1.955 -1.718 406 HG12 ILE 52 HG12 ILE 52 -0.047 -1.524 -2.033 407 HG13 ILE 52 HG13 ILE 52 0.938 -0.279 -2.817 408 HG21 ILE 52 HG21 ILE 52 3.885 -2.385 -3.549 409 HG22 ILE 52 HG22 ILE 52 2.613 -2.085 -4.741 410 HG23 ILE 52 HG23 ILE 52 3.178 -0.774 -3.695 411 HD11 ILE 52 HD11 ILE 52 -0.984 -0.845 -4.192 412 HD12 ILE 52 HD12 ILE 52 0.478 -1.377 -5.025 413 HD13 ILE 52 HD13 ILE 52 -0.557 -2.557 -4.197 414 H GLN 53 H GLN 53 2.050 -5.646 -4.125 415 HA GLN 53 HA GLN 53 3.932 -7.159 -2.676 416 HB2 GLN 53 HB2 GLN 53 2.291 -7.743 -4.600 417 HB3 GLN 53 HB3 GLN 53 3.474 -7.031 -5.679 418 HG2 GLN 53 HG2 GLN 53 4.071 -9.199 -5.880 419 HG3 GLN 53 HG3 GLN 53 5.092 -8.829 -4.506 420 HE21 GLN 53 HE21 GLN 53 4.687 -10.000 -2.532 421 HE22 GLN 53 HE22 GLN 53 3.493 -11.266 -2.480 422 H LEU 54 H LEU 54 6.265 -7.451 -3.318 423 HA LEU 54 HA LEU 54 7.494 -5.142 -4.767 424 HB2 LEU 54 HB2 LEU 54 8.222 -6.467 -2.144 425 HB3 LEU 54 HB3 LEU 54 9.562 -6.054 -3.154 426 HG LEU 54 HG LEU 54 9.242 -4.313 -1.612 427 HD11 LEU 54 HD11 LEU 54 9.929 -3.943 -4.030 428 HD12 LEU 54 HD12 LEU 54 9.462 -2.526 -3.095 429 HD13 LEU 54 HD13 LEU 54 8.344 -3.218 -4.288 430 HD21 LEU 54 HD21 LEU 54 6.517 -3.712 -2.834 431 HD22 LEU 54 HD22 LEU 54 7.318 -2.863 -1.532 432 HD23 LEU 54 HD23 LEU 54 6.748 -4.538 -1.285 433 H SER 55 H SER 55 9.894 -5.765 -5.572 434 HA SER 55 HA SER 55 9.562 -8.254 -7.096 435 HB2 SER 55 HB2 SER 55 11.951 -6.643 -7.648 436 HB3 SER 55 HB3 SER 55 10.712 -7.284 -8.711 437 HG SER 55 HG SER 55 10.739 -4.908 -7.208 438 H THR 56 H THR 56 11.566 -6.945 -4.493 439 HA THR 56 HA THR 56 12.578 -9.666 -4.093 440 HB THR 56 HB THR 56 14.783 -8.722 -3.264 441 HG1 THR 56 HG1 THR 56 14.155 -6.541 -4.953 442 HG21 THR 56 HG21 THR 56 14.271 -8.736 -6.234 443 HG22 THR 56 HG22 THR 56 14.805 -10.073 -5.205 444 HG23 THR 56 HG23 THR 56 15.871 -8.674 -5.444 445 H ILE 57 H ILE 57 13.169 -10.031 -1.844 446 HA ILE 57 HA ILE 57 11.324 -8.812 -0.181 447 HB ILE 57 HB ILE 57 12.251 -10.000 1.651 448 HG12 ILE 57 HG12 ILE 57 14.468 -11.437 1.196 449 HG13 ILE 57 HG13 ILE 57 14.897 -10.110 0.111 450 HG21 ILE 57 HG21 ILE 57 13.059 -11.787 -0.681 451 HG22 ILE 57 HG22 ILE 57 12.180 -12.200 0.805 452 HG23 ILE 57 HG23 ILE 57 11.383 -11.302 -0.491 453 HD11 ILE 57 HD11 ILE 57 14.700 -8.540 2.110 454 HD12 ILE 57 HD12 ILE 57 14.182 -9.904 3.093 455 HD13 ILE 57 HD13 ILE 57 15.825 -9.855 2.425 456 H VAL 58 H VAL 58 14.643 -8.107 -0.837 457 HA VAL 58 HA VAL 58 15.307 -6.358 1.265 458 HB VAL 58 HB VAL 58 16.600 -6.411 -1.506 459 HG11 VAL 58 HG11 VAL 58 17.689 -5.931 1.312 460 HG12 VAL 58 HG12 VAL 58 18.666 -5.987 -0.185 461 HG13 VAL 58 HG13 VAL 58 17.465 -4.730 0.036 462 HG21 VAL 58 HG21 VAL 58 18.092 -8.222 -0.608 463 HG22 VAL 58 HG22 VAL 58 16.982 -8.432 0.748 464 HG23 VAL 58 HG23 VAL 58 16.454 -8.750 -0.927 465 H GLU 59 H GLU 59 13.883 -5.683 -1.946 466 HA GLU 59 HA GLU 59 14.191 -2.888 -2.072 467 HB2 GLU 59 HB2 GLU 59 12.016 -4.771 -2.980 468 HB3 GLU 59 HB3 GLU 59 11.828 -3.025 -3.148 469 HG2 GLU 59 HG2 GLU 59 13.477 -2.782 -4.701 470 HG3 GLU 59 HG3 GLU 59 14.385 -4.184 -4.140 471 H ALA 60 H ALA 60 11.841 -4.834 -0.189 472 HA ALA 60 HA ALA 60 10.158 -2.737 0.439 473 HB1 ALA 60 HB1 ALA 60 10.741 -5.142 2.204 474 HB2 ALA 60 HB2 ALA 60 9.302 -4.120 2.262 475 HB3 ALA 60 HB3 ALA 60 9.616 -5.097 0.819 476 H ALA 61 H ALA 61 12.978 -3.867 2.348 477 HA ALA 61 HA ALA 61 12.652 -1.918 4.470 478 HB1 ALA 61 HB1 ALA 61 13.722 -4.023 4.926 479 HB2 ALA 61 HB2 ALA 61 14.960 -3.732 3.670 480 HB3 ALA 61 HB3 ALA 61 14.899 -2.740 5.163 481 H GLN 62 H GLN 62 13.997 -1.645 1.325 482 HA GLN 62 HA GLN 62 15.737 0.652 1.997 483 HB2 GLN 62 HB2 GLN 62 14.932 -0.682 -0.558 484 HB3 GLN 62 HB3 GLN 62 15.772 0.858 -0.521 485 HG2 GLN 62 HG2 GLN 62 17.677 -0.023 0.612 486 HG3 GLN 62 HG3 GLN 62 16.843 -1.529 1.037 487 HE21 GLN 62 HE21 GLN 62 16.006 -2.843 -0.807 488 HE22 GLN 62 HE22 GLN 62 16.579 -2.457 -2.425 489 H LEU 63 H LEU 63 12.765 -0.062 0.146 490 HA LEU 63 HA LEU 63 11.920 2.520 -0.347 491 HB2 LEU 63 HB2 LEU 63 10.587 -0.176 -0.254 492 HB3 LEU 63 HB3 LEU 63 9.546 1.238 -0.197 493 HG LEU 63 HG LEU 63 10.744 2.142 -2.223 494 HD11 LEU 63 HD11 LEU 63 12.808 0.703 -2.130 495 HD12 LEU 63 HD12 LEU 63 11.973 0.612 -3.675 496 HD13 LEU 63 HD13 LEU 63 11.789 -0.704 -2.515 497 HD21 LEU 63 HD21 LEU 63 9.402 0.739 -3.695 498 HD22 LEU 63 HD22 LEU 63 8.540 1.060 -2.196 499 HD23 LEU 63 HD23 LEU 63 9.287 -0.513 -2.433 500 H LEU 64 H LEU 64 10.916 0.523 2.473 501 HA LEU 64 HA LEU 64 8.875 2.197 3.253 502 HB2 LEU 64 HB2 LEU 64 9.656 -0.164 4.050 503 HB3 LEU 64 HB3 LEU 64 10.624 0.689 5.244 504 HG LEU 64 HG LEU 64 8.551 -0.402 6.010 505 HD11 LEU 64 HD11 LEU 64 8.505 2.539 6.631 506 HD12 LEU 64 HD12 LEU 64 9.578 1.324 7.365 507 HD13 LEU 64 HD13 LEU 64 7.837 1.202 7.573 508 HD21 LEU 64 HD21 LEU 64 6.999 1.783 4.618 509 HD22 LEU 64 HD22 LEU 64 6.372 0.415 5.614 510 HD23 LEU 64 HD23 LEU 64 7.140 0.094 4.062 511 H GLN 65 H GLN 65 12.258 2.865 3.605 512 HA GLN 65 HA GLN 65 11.648 5.257 5.290 513 HB2 GLN 65 HB2 GLN 65 14.063 5.520 5.570 514 HB3 GLN 65 HB3 GLN 65 13.416 4.063 6.313 515 HG2 GLN 65 HG2 GLN 65 14.311 2.663 4.521 516 HG3 GLN 65 HG3 GLN 65 14.856 4.094 3.625 517 HE21 GLN 65 HE21 GLN 65 15.844 1.739 5.836 518 HE22 GLN 65 HE22 GLN 65 17.148 2.645 6.584 519 H ILE 66 H ILE 66 13.249 4.267 2.163 520 HA ILE 66 HA ILE 66 13.945 6.875 1.394 521 HB ILE 66 HB ILE 66 13.079 4.623 -0.435 522 HG12 ILE 66 HG12 ILE 66 15.943 5.387 0.210 523 HG13 ILE 66 HG13 ILE 66 15.101 4.194 1.163 524 HG21 ILE 66 HG21 ILE 66 13.072 6.774 -1.631 525 HG22 ILE 66 HG22 ILE 66 14.708 7.127 -1.050 526 HG23 ILE 66 HG23 ILE 66 14.419 5.794 -2.185 527 HD11 ILE 66 HD11 ILE 66 15.725 4.009 -1.807 528 HD12 ILE 66 HD12 ILE 66 16.355 3.016 -0.484 529 HD13 ILE 66 HD13 ILE 66 14.647 2.881 -0.964 530 H LEU 67 H LEU 67 10.813 5.160 0.811 531 HA LEU 67 HA LEU 67 9.890 7.307 -0.831 532 HB2 LEU 67 HB2 LEU 67 8.150 5.329 0.726 533 HB3 LEU 67 HB3 LEU 67 7.680 6.273 -0.676 534 HG LEU 67 HG LEU 67 9.373 3.788 -0.526 535 HD11 LEU 67 HD11 LEU 67 7.969 3.200 -2.501 536 HD12 LEU 67 HD12 LEU 67 7.115 4.747 -2.313 537 HD13 LEU 67 HD13 LEU 67 7.067 3.520 -1.022 538 HD21 LEU 67 HD21 LEU 67 10.045 4.164 -2.940 539 HD22 LEU 67 HD22 LEU 67 10.900 5.186 -1.806 540 HD23 LEU 67 HD23 LEU 67 9.563 5.866 -2.753 541 H GLN 68 H GLN 68 9.738 6.728 2.598 542 HA GLN 68 HA GLN 68 7.906 8.780 3.380 543 HB2 GLN 68 HB2 GLN 68 9.127 6.664 4.548 544 HB3 GLN 68 HB3 GLN 68 10.283 7.901 5.027 545 HG2 GLN 68 HG2 GLN 68 8.386 9.187 6.053 546 HG3 GLN 68 HG3 GLN 68 7.311 7.834 5.634 547 HE21 GLN 68 HE21 GLN 68 8.132 5.531 6.452 548 HE22 GLN 68 HE22 GLN 68 8.708 5.586 8.095 549 H ALA 69 H ALA 69 11.411 8.645 2.790 550 HA ALA 69 HA ALA 69 11.996 11.309 3.695 551 HB1 ALA 69 HB1 ALA 69 14.252 10.785 2.929 552 HB2 ALA 69 HB2 ALA 69 13.589 9.411 3.828 553 HB3 ALA 69 HB3 ALA 69 13.666 9.362 2.048 554 H LEU 70 H LEU 70 10.723 10.113 0.693 555 HA LEU 70 HA LEU 70 11.384 12.664 -0.696 556 HB2 LEU 70 HB2 LEU 70 10.504 10.040 -1.948 557 HB3 LEU 70 HB3 LEU 70 11.116 11.470 -2.780 558 HG LEU 70 HG LEU 70 12.669 9.551 -1.032 559 HD11 LEU 70 HD11 LEU 70 12.767 10.059 -4.005 560 HD12 LEU 70 HD12 LEU 70 12.287 8.577 -3.142 561 HD13 LEU 70 HD13 LEU 70 13.966 9.102 -3.105 562 HD21 LEU 70 HD21 LEU 70 14.697 10.765 -1.527 563 HD22 LEU 70 HD22 LEU 70 13.547 11.843 -0.745 564 HD23 LEU 70 HD23 LEU 70 13.795 11.949 -2.494 565 H HIS 71 H HIS 71 9.653 13.169 -2.366 566 HA HIS 71 HA HIS 71 7.694 13.870 -2.996 567 HB2 HIS 71 HB2 HIS 71 7.112 11.046 -2.123 568 HB3 HIS 71 HB3 HIS 71 5.814 12.028 -2.732 569 HD1 HIS 71 HD1 HIS 71 9.293 10.794 -4.015 570 HD2 HIS 71 HD2 HIS 71 5.584 12.328 -5.299 571 HE1 HIS 71 HE1 HIS 71 9.362 10.809 -6.550 572 HA PRO 72 HA PRO 72 5.443 16.106 -0.093 573 HB2 PRO 72 HB2 PRO 72 2.909 16.437 -1.212 574 HB3 PRO 72 HB3 PRO 72 4.379 17.287 -1.748 575 HG2 PRO 72 HG2 PRO 72 3.083 14.846 -2.934 576 HG3 PRO 72 HG3 PRO 72 3.793 16.248 -3.779 577 HD2 PRO 72 HD2 PRO 72 5.120 13.897 -3.493 578 HD3 PRO 72 HD3 PRO 72 5.979 15.451 -3.476 579 HA PRO 73 HA PRO 73 3.316 13.518 2.696 580 HB2 PRO 73 HB2 PRO 73 1.709 15.144 4.196 581 HB3 PRO 73 HB3 PRO 73 3.495 15.213 4.216 582 HG2 PRO 73 HG2 PRO 73 1.598 16.935 2.577 583 HG3 PRO 73 HG3 PRO 73 2.944 17.471 3.630 584 HD2 PRO 73 HD2 PRO 73 3.286 17.200 0.964 585 HD3 PRO 73 HD3 PRO 73 4.578 16.701 2.096 586 H LEU 74 H LEU 74 2.356 12.375 1.017 587 HA LEU 74 HA LEU 74 -0.099 12.525 -0.175 588 HB2 LEU 74 HB2 LEU 74 1.751 10.910 -0.587 589 HB3 LEU 74 HB3 LEU 74 1.334 10.056 0.895 590 HG LEU 74 HG LEU 74 -0.924 9.557 -0.079 591 HD11 LEU 74 HD11 LEU 74 -1.111 9.848 -2.632 592 HD12 LEU 74 HD12 LEU 74 0.218 11.002 -2.476 593 HD13 LEU 74 HD13 LEU 74 -1.315 11.297 -1.653 594 HD21 LEU 74 HD21 LEU 74 0.783 7.890 -0.185 595 HD22 LEU 74 HD22 LEU 74 1.608 8.714 -1.517 596 HD23 LEU 74 HD23 LEU 74 0.075 7.896 -1.801 597 H THR 75 H THR 75 -2.061 12.778 0.671 598 HA THR 75 HA THR 75 -2.955 11.208 2.975 599 HB THR 75 HB THR 75 -3.222 14.217 2.923 600 HG1 THR 75 HG1 THR 75 -1.039 13.699 3.239 601 HG21 THR 75 HG21 THR 75 -3.567 12.472 5.345 602 HG22 THR 75 HG22 THR 75 -4.904 12.968 4.286 603 HG23 THR 75 HG23 THR 75 -3.960 14.176 5.159 604 H ILE 76 H ILE 76 -4.519 10.214 1.763 605 HA ILE 76 HA ILE 76 -6.309 11.908 0.066 606 HB ILE 76 HB ILE 76 -6.202 8.884 0.285 607 HG12 ILE 76 HG12 ILE 76 -5.230 10.728 -1.957 608 HG13 ILE 76 HG13 ILE 76 -4.186 9.861 -0.827 609 HG21 ILE 76 HG21 ILE 76 -8.469 9.734 -0.291 610 HG22 ILE 76 HG22 ILE 76 -7.775 10.682 -1.623 611 HG23 ILE 76 HG23 ILE 76 -7.760 8.917 -1.659 612 HD11 ILE 76 HD11 ILE 76 -5.176 7.710 -1.618 613 HD12 ILE 76 HD12 ILE 76 -5.993 8.610 -2.928 614 HD13 ILE 76 HD13 ILE 76 -4.236 8.583 -2.842 615 H ASP 77 H ASP 77 -8.325 12.337 0.738 616 HA ASP 77 HA ASP 77 -10.118 12.634 2.085 617 HB2 ASP 77 HB2 ASP 77 -9.756 9.638 2.209 618 HB3 ASP 77 HB3 ASP 77 -11.219 10.471 2.727 619 H GLY 78 H GLY 78 -7.729 13.185 3.373 620 HA2 GLY 78 HA2 GLY 78 -6.919 13.835 5.393 621 HA3 GLY 78 HA3 GLY 78 -8.519 13.490 6.090 622 H LYS 79 H LYS 79 -6.705 10.908 4.488 623 HA LYS 79 HA LYS 79 -5.856 9.806 7.126 624 HB2 LYS 79 HB2 LYS 79 -6.199 8.196 4.607 625 HB3 LYS 79 HB3 LYS 79 -6.103 7.662 6.283 626 HG2 LYS 79 HG2 LYS 79 -8.460 8.928 4.787 627 HG3 LYS 79 HG3 LYS 79 -8.306 7.280 5.359 628 HD2 LYS 79 HD2 LYS 79 -8.537 7.976 7.683 629 HD3 LYS 79 HD3 LYS 79 -8.555 9.696 7.193 630 HE2 LYS 79 HE2 LYS 79 -10.524 9.273 5.751 631 HE3 LYS 79 HE3 LYS 79 -10.544 7.584 6.259 632 HZ1 LYS 79 HZ1 LYS 79 -10.984 8.338 8.504 633 HZ2 LYS 79 HZ2 LYS 79 -12.143 8.752 7.450 634 HZ3 LYS 79 HZ3 LYS 79 -11.079 9.930 7.971 635 H THR 80 H THR 80 -3.640 10.144 7.371 636 HA THR 80 HA THR 80 -1.981 10.662 5.026 637 HB THR 80 HB THR 80 -0.866 9.987 7.733 638 HG1 THR 80 HG1 THR 80 -2.035 12.516 7.266 639 HG21 THR 80 HG21 THR 80 0.690 11.795 7.282 640 HG22 THR 80 HG22 THR 80 -0.140 12.157 5.754 641 HG23 THR 80 HG23 THR 80 0.685 10.593 5.986 642 H ILE 81 H ILE 81 -1.066 9.026 3.819 643 HA ILE 81 HA ILE 81 -1.637 6.259 4.394 644 HB ILE 81 HB ILE 81 0.465 7.406 2.507 645 HG12 ILE 81 HG12 ILE 81 -1.470 8.541 1.805 646 HG13 ILE 81 HG13 ILE 81 -1.378 7.117 0.774 647 HG21 ILE 81 HG21 ILE 81 -1.119 4.821 2.528 648 HG22 ILE 81 HG22 ILE 81 -0.029 5.320 1.222 649 HG23 ILE 81 HG23 ILE 81 0.623 4.981 2.827 650 HD11 ILE 81 HD11 ILE 81 -3.344 7.688 3.019 651 HD12 ILE 81 HD12 ILE 81 -3.667 7.335 1.321 652 HD13 ILE 81 HD13 ILE 81 -3.081 6.062 2.412 653 H ASN 82 H ASN 82 -0.635 4.825 5.526 654 HA ASN 82 HA ASN 82 1.647 5.669 7.208 655 HB2 ASN 82 HB2 ASN 82 -0.689 4.405 7.748 656 HB3 ASN 82 HB3 ASN 82 0.352 3.011 7.394 657 HD21 ASN 82 HD21 ASN 82 -0.867 4.856 9.867 658 HD22 ASN 82 HD22 ASN 82 0.437 4.641 11.010 659 H VAL 83 H VAL 83 3.072 3.634 7.783 660 HA VAL 83 HA VAL 83 4.182 2.453 5.300 661 HB VAL 83 HB VAL 83 6.374 3.045 6.519 662 HG11 VAL 83 HG11 VAL 83 6.412 5.307 5.534 663 HG12 VAL 83 HG12 VAL 83 5.640 4.133 4.460 664 HG13 VAL 83 HG13 VAL 83 4.644 5.265 5.386 665 HG21 VAL 83 HG21 VAL 83 6.410 4.873 8.090 666 HG22 VAL 83 HG22 VAL 83 4.671 5.142 7.936 667 HG23 VAL 83 HG23 VAL 83 5.276 3.696 8.732 668 H GLU 84 H GLU 84 2.833 0.517 6.012 669 HA GLU 84 HA GLU 84 3.996 -0.787 8.411 670 HB2 GLU 84 HB2 GLU 84 1.215 -0.669 7.185 671 HB3 GLU 84 HB3 GLU 84 1.686 -2.097 8.083 672 HG2 GLU 84 HG2 GLU 84 1.808 0.764 9.153 673 HG3 GLU 84 HG3 GLU 84 0.489 -0.368 9.433 674 H PHE 85 H PHE 85 4.143 -3.131 8.338 675 HA PHE 85 HA PHE 85 4.807 -4.116 5.593 676 HB2 PHE 85 HB2 PHE 85 6.106 -4.592 8.284 677 HB3 PHE 85 HB3 PHE 85 6.313 -5.710 6.959 678 HD1 PHE 85 HD1 PHE 85 8.410 -4.073 8.556 679 HD2 PHE 85 HD2 PHE 85 6.634 -3.672 4.635 680 HE1 PHE 85 HE1 PHE 85 10.499 -3.072 7.699 681 HE2 PHE 85 HE2 PHE 85 8.705 -2.589 3.825 682 HZ PHE 85 HZ PHE 85 10.654 -2.336 5.336 683 H ALA 86 H ALA 86 4.532 -6.447 5.345 684 HA ALA 86 HA ALA 86 2.080 -7.482 6.595 685 HB1 ALA 86 HB1 ALA 86 2.225 -9.109 4.706 686 HB2 ALA 86 HB2 ALA 86 2.244 -7.431 4.124 687 HB3 ALA 86 HB3 ALA 86 3.749 -8.371 4.195 688 H LYS 87 H LYS 87 2.270 -9.025 8.222 689 HA LYS 87 HA LYS 87 4.830 -10.492 8.577 690 HB2 LYS 87 HB2 LYS 87 3.945 -11.189 10.700 691 HB3 LYS 87 HB3 LYS 87 3.964 -9.436 10.572 692 HG2 LYS 87 HG2 LYS 87 1.404 -9.915 9.769 693 HG3 LYS 87 HG3 LYS 87 1.661 -11.334 10.800 694 HD2 LYS 87 HD2 LYS 87 2.154 -9.889 12.713 695 HD3 LYS 87 HD3 LYS 87 2.116 -8.448 11.661 696 HE2 LYS 87 HE2 LYS 87 -0.238 -9.132 10.975 697 HE3 LYS 87 HE3 LYS 87 -0.192 -10.340 12.276 698 HZ1 LYS 87 HZ1 LYS 87 0.060 -8.567 13.867 699 HZ2 LYS 87 HZ2 LYS 87 -1.241 -8.274 12.900 700 HZ3 LYS 87 HZ3 LYS 87 0.149 -7.437 12.648 701 H GLY 88 H GLY 88 4.964 -12.255 7.373 702 HA2 GLY 88 HA2 GLY 88 2.528 -13.861 6.729 703 HA3 GLY 88 HA3 GLY 88 3.889 -13.618 5.625 704 H SER 89 H SER 89 3.974 -14.219 9.198 705 HA SER 89 HA SER 89 4.563 -16.927 8.992 706 HB2 SER 89 HB2 SER 89 6.799 -15.794 8.300 707 HB3 SER 89 HB3 SER 89 6.910 -15.228 9.974 708 HG SER 89 HG SER 89 7.794 -17.482 9.105 Start of MODEL 4 1 H1 GLY 1 H GLY 1 10.009 -7.329 9.412 2 HA2 GLY 1 HA2 GLY 1 9.985 -9.710 8.829 3 HA3 GLY 1 HA3 GLY 1 8.234 -9.697 9.140 4 H HIS 2 H HIS 2 9.880 -10.199 6.660 5 HA HIS 2 HA HIS 2 8.692 -8.182 4.813 6 HB2 HIS 2 HB2 HIS 2 10.934 -8.612 3.535 7 HB3 HIS 2 HB3 HIS 2 10.885 -7.452 4.838 8 HD1 HIS 2 HD1 HIS 2 12.334 -7.915 6.980 9 HD2 HIS 2 HD2 HIS 2 12.086 -11.160 4.308 10 HE1 HIS 2 HE1 HIS 2 14.018 -9.643 7.782 11 H MET 3 H MET 3 7.585 -9.100 3.258 12 HA MET 3 HA MET 3 8.245 -11.773 2.211 13 HB2 MET 3 HB2 MET 3 6.501 -11.913 4.143 14 HB3 MET 3 HB3 MET 3 5.406 -11.068 3.051 15 HG2 MET 3 HG2 MET 3 4.828 -13.179 2.534 16 HG3 MET 3 HG3 MET 3 6.164 -13.072 1.399 17 HE1 MET 3 HE1 MET 3 8.892 -15.267 3.303 18 HE2 MET 3 HE2 MET 3 8.540 -14.330 1.830 19 HE3 MET 3 HE3 MET 3 8.769 -13.511 3.394 20 H ASP 4 H ASP 4 8.926 -9.409 1.062 21 HA ASP 4 HA ASP 4 8.576 -7.785 -0.455 22 HB2 ASP 4 HB2 ASP 4 7.527 -9.188 -2.676 23 HB3 ASP 4 HB3 ASP 4 9.141 -8.734 -2.321 24 H THR 5 H THR 5 6.522 -7.515 1.385 25 HA THR 5 HA THR 5 4.460 -6.458 -0.376 26 HB THR 5 HB THR 5 3.682 -8.380 1.857 27 HG1 THR 5 HG1 THR 5 4.540 -9.649 0.236 28 HG21 THR 5 HG21 THR 5 1.486 -8.332 0.711 29 HG22 THR 5 HG22 THR 5 2.102 -7.166 -0.464 30 HG23 THR 5 HG23 THR 5 1.927 -6.698 1.248 31 H ILE 6 H ILE 6 3.466 -4.673 0.581 32 HA ILE 6 HA ILE 6 4.272 -3.910 3.369 33 HB ILE 6 HB ILE 6 4.087 -1.952 1.052 34 HG12 ILE 6 HG12 ILE 6 6.514 -3.448 2.111 35 HG13 ILE 6 HG13 ILE 6 5.934 -3.386 0.458 36 HG21 ILE 6 HG21 ILE 6 5.309 -1.846 3.829 37 HG22 ILE 6 HG22 ILE 6 5.264 -0.487 2.660 38 HG23 ILE 6 HG23 ILE 6 3.781 -1.061 3.362 39 HD11 ILE 6 HD11 ILE 6 6.603 -0.972 0.338 40 HD12 ILE 6 HD12 ILE 6 7.302 -1.086 1.960 41 HD13 ILE 6 HD13 ILE 6 7.943 -2.063 0.644 42 H ILE 7 H ILE 7 2.736 -2.695 4.579 43 HA ILE 7 HA ILE 7 -0.075 -2.878 3.719 44 HB ILE 7 HB ILE 7 1.092 -2.501 6.496 45 HG12 ILE 7 HG12 ILE 7 0.027 -4.901 5.022 46 HG13 ILE 7 HG13 ILE 7 1.527 -4.618 5.880 47 HG21 ILE 7 HG21 ILE 7 -1.813 -2.826 5.693 48 HG22 ILE 7 HG22 ILE 7 -1.179 -2.694 7.360 49 HG23 ILE 7 HG23 ILE 7 -1.065 -1.321 6.288 50 HD11 ILE 7 HD11 ILE 7 -1.179 -5.041 7.183 51 HD12 ILE 7 HD12 ILE 7 0.169 -6.177 7.143 52 HD13 ILE 7 HD13 ILE 7 0.337 -4.662 8.049 53 H LEU 8 H LEU 8 -0.578 -1.118 2.668 54 HA LEU 8 HA LEU 8 0.158 1.581 3.733 55 HB2 LEU 8 HB2 LEU 8 -1.168 0.613 1.180 56 HB3 LEU 8 HB3 LEU 8 -1.248 2.258 1.704 57 HG LEU 8 HG LEU 8 1.168 2.539 1.736 58 HD11 LEU 8 HD11 LEU 8 2.627 0.781 0.638 59 HD12 LEU 8 HD12 LEU 8 1.303 -0.379 0.881 60 HD13 LEU 8 HD13 LEU 8 2.080 0.397 2.261 61 HD21 LEU 8 HD21 LEU 8 -0.004 1.418 -0.835 62 HD22 LEU 8 HD22 LEU 8 1.521 2.339 -0.738 63 HD23 LEU 8 HD23 LEU 8 0.007 3.096 -0.256 64 H ARG 9 H ARG 9 -0.963 1.437 5.696 65 HA ARG 9 HA ARG 9 -3.783 0.763 5.933 66 HB2 ARG 9 HB2 ARG 9 -1.616 1.173 7.686 67 HB3 ARG 9 HB3 ARG 9 -2.588 2.621 7.932 68 HG2 ARG 9 HG2 ARG 9 -3.624 -0.209 8.188 69 HG3 ARG 9 HG3 ARG 9 -2.941 0.737 9.511 70 HD2 ARG 9 HD2 ARG 9 -4.728 2.541 8.858 71 HD3 ARG 9 HD3 ARG 9 -5.581 1.166 8.110 72 HE ARG 9 HE ARG 9 -4.770 0.429 10.723 73 HH11 ARG 9 HH11 ARG 9 -7.082 2.715 9.273 74 HH12 ARG 9 HH12 ARG 9 -7.961 2.945 10.740 75 HH21 ARG 9 HH21 ARG 9 -5.820 0.885 12.663 76 HH22 ARG 9 HH22 ARG 9 -7.262 1.853 12.720 77 H ASN 10 H ASN 10 -5.344 2.510 6.657 78 HA ASN 10 HA ASN 10 -6.472 4.450 6.545 79 HB2 ASN 10 HB2 ASN 10 -3.927 5.807 5.688 80 HB3 ASN 10 HB3 ASN 10 -5.256 6.553 6.488 81 HD21 ASN 10 HD21 ASN 10 -2.566 6.388 7.170 82 HD22 ASN 10 HD22 ASN 10 -2.745 6.213 8.841 83 H LEU 11 H LEU 11 -5.988 2.700 4.147 84 HA LEU 11 HA LEU 11 -5.572 4.316 1.878 85 HB2 LEU 11 HB2 LEU 11 -5.468 1.660 2.577 86 HB3 LEU 11 HB3 LEU 11 -6.921 1.665 1.615 87 HG LEU 11 HG LEU 11 -4.804 1.091 0.610 88 HD11 LEU 11 HD11 LEU 11 -5.975 3.416 -0.901 89 HD12 LEU 11 HD12 LEU 11 -6.665 1.789 -0.883 90 HD13 LEU 11 HD13 LEU 11 -5.059 2.052 -1.590 91 HD21 LEU 11 HD21 LEU 11 -3.062 2.546 0.018 92 HD22 LEU 11 HD22 LEU 11 -3.447 2.845 1.721 93 HD23 LEU 11 HD23 LEU 11 -4.007 3.970 0.487 94 H ASN 12 H ASN 12 -7.915 4.835 3.374 95 HA ASN 12 HA ASN 12 -10.066 5.392 3.607 96 HB2 ASN 12 HB2 ASN 12 -8.863 7.221 2.468 97 HB3 ASN 12 HB3 ASN 12 -9.441 6.601 0.931 98 HD21 ASN 12 HD21 ASN 12 -10.448 8.241 3.917 99 HD22 ASN 12 HD22 ASN 12 -12.013 8.627 3.234 100 HA PRO 13 HA PRO 13 -12.602 2.433 1.494 101 HB2 PRO 13 HB2 PRO 13 -15.164 3.220 2.171 102 HB3 PRO 13 HB3 PRO 13 -14.047 2.428 3.333 103 HG2 PRO 13 HG2 PRO 13 -14.580 5.394 2.936 104 HG3 PRO 13 HG3 PRO 13 -14.523 4.490 4.485 105 HD2 PRO 13 HD2 PRO 13 -12.414 5.884 3.670 106 HD3 PRO 13 HD3 PRO 13 -12.196 4.281 4.393 107 H HIS 14 H HIS 14 -12.741 5.754 0.711 108 HA HIS 14 HA HIS 14 -14.501 5.281 -1.670 109 HB2 HIS 14 HB2 HIS 14 -13.660 7.794 -0.191 110 HB3 HIS 14 HB3 HIS 14 -14.072 7.865 -1.874 111 HD1 HIS 14 HD1 HIS 14 -16.634 7.291 -2.577 112 HD2 HIS 14 HD2 HIS 14 -15.715 7.316 1.548 113 HE1 HIS 14 HE1 HIS 14 -18.826 7.282 -1.367 114 H SER 15 H SER 15 -11.096 5.738 -0.691 115 HA SER 15 HA SER 15 -10.394 6.704 -3.344 116 HB2 SER 15 HB2 SER 15 -8.677 5.742 -1.028 117 HB3 SER 15 HB3 SER 15 -8.091 6.575 -2.474 118 HG SER 15 HG SER 15 -9.446 8.352 -1.925 119 H THR 16 H THR 16 -8.383 5.489 -4.392 120 HA THR 16 HA THR 16 -8.905 2.602 -4.506 121 HB THR 16 HB THR 16 -8.709 2.719 -6.973 122 HG1 THR 16 HG1 THR 16 -8.954 5.524 -6.552 123 HG21 THR 16 HG21 THR 16 -10.965 2.620 -6.023 124 HG22 THR 16 HG22 THR 16 -10.936 3.597 -7.499 125 HG23 THR 16 HG23 THR 16 -11.032 4.399 -5.923 126 H MET 17 H MET 17 -7.131 1.339 -4.746 127 HA MET 17 HA MET 17 -4.646 2.411 -3.951 128 HB2 MET 17 HB2 MET 17 -3.618 0.395 -4.527 129 HB3 MET 17 HB3 MET 17 -5.173 0.045 -3.791 130 HG2 MET 17 HG2 MET 17 -5.452 0.262 -6.670 131 HG3 MET 17 HG3 MET 17 -4.091 -0.710 -6.260 132 HE1 MET 17 HE1 MET 17 -4.959 -2.786 -7.499 133 HE2 MET 17 HE2 MET 17 -6.582 -3.466 -7.324 134 HE3 MET 17 HE3 MET 17 -6.368 -1.852 -8.042 135 H ASP 18 H ASP 18 -6.096 2.459 -7.147 136 HA ASP 18 HA ASP 18 -3.668 2.723 -8.642 137 HB2 ASP 18 HB2 ASP 18 -6.391 2.291 -9.191 138 HB3 ASP 18 HB3 ASP 18 -6.072 3.887 -9.852 139 H SER 19 H SER 19 -5.442 5.005 -6.722 140 HA SER 19 HA SER 19 -4.005 7.344 -7.860 141 HB2 SER 19 HB2 SER 19 -5.752 6.964 -5.389 142 HB3 SER 19 HB3 SER 19 -4.790 8.413 -5.702 143 HG SER 19 HG SER 19 -6.657 8.907 -6.449 144 H ILE 20 H ILE 20 -4.047 5.334 -4.851 145 HA ILE 20 HA ILE 20 -1.779 6.669 -3.734 146 HB ILE 20 HB ILE 20 -2.941 4.018 -3.029 147 HG12 ILE 20 HG12 ILE 20 -3.689 5.556 -0.981 148 HG13 ILE 20 HG13 ILE 20 -3.481 6.837 -2.128 149 HG21 ILE 20 HG21 ILE 20 -0.963 5.777 -1.512 150 HG22 ILE 20 HG22 ILE 20 -1.790 4.356 -0.846 151 HG23 ILE 20 HG23 ILE 20 -0.642 4.170 -2.177 152 HD11 ILE 20 HD11 ILE 20 -5.302 6.079 -3.450 153 HD12 ILE 20 HD12 ILE 20 -5.254 4.456 -2.722 154 HD13 ILE 20 HD13 ILE 20 -5.822 5.852 -1.782 155 H LEU 21 H LEU 21 -1.878 3.943 -5.991 156 HA LEU 21 HA LEU 21 0.825 3.133 -5.849 157 HB2 LEU 21 HB2 LEU 21 -1.407 3.010 -7.918 158 HB3 LEU 21 HB3 LEU 21 0.213 2.552 -8.378 159 HG LEU 21 HG LEU 21 -1.254 1.250 -6.028 160 HD11 LEU 21 HD11 LEU 21 -0.849 0.154 -8.807 161 HD12 LEU 21 HD12 LEU 21 -2.379 0.808 -8.211 162 HD13 LEU 21 HD13 LEU 21 -1.691 -0.638 -7.458 163 HD21 LEU 21 HD21 LEU 21 1.338 0.661 -7.555 164 HD22 LEU 21 HD22 LEU 21 0.593 -0.489 -6.448 165 HD23 LEU 21 HD23 LEU 21 1.174 1.060 -5.837 166 H GLY 22 H GLY 22 -0.723 5.348 -8.310 167 HA2 GLY 22 HA2 GLY 22 1.703 6.233 -9.395 168 HA3 GLY 22 HA3 GLY 22 0.193 7.163 -9.373 169 H ALA 23 H ALA 23 0.086 7.175 -6.419 170 HA ALA 23 HA ALA 23 1.709 9.520 -5.895 171 HB1 ALA 23 HB1 ALA 23 0.402 9.719 -3.967 172 HB2 ALA 23 HB2 ALA 23 -0.711 9.119 -5.191 173 HB3 ALA 23 HB3 ALA 23 -0.056 8.005 -3.968 174 H LEU 24 H LEU 24 2.348 6.070 -5.261 175 HA LEU 24 HA LEU 24 4.621 6.844 -3.644 176 HB2 LEU 24 HB2 LEU 24 2.256 6.715 -2.309 177 HB3 LEU 24 HB3 LEU 24 2.646 5.036 -2.223 178 HG LEU 24 HG LEU 24 3.238 6.814 -0.348 179 HD11 LEU 24 HD11 LEU 24 5.266 4.679 -0.974 180 HD12 LEU 24 HD12 LEU 24 3.708 4.373 -0.203 181 HD13 LEU 24 HD13 LEU 24 4.911 5.388 0.601 182 HD21 LEU 24 HD21 LEU 24 4.630 8.261 -1.788 183 HD22 LEU 24 HD22 LEU 24 5.844 6.965 -1.866 184 HD23 LEU 24 HD23 LEU 24 5.440 7.710 -0.304 185 H ALA 25 H ALA 25 4.189 5.257 -6.112 186 HA ALA 25 HA ALA 25 5.689 2.845 -5.207 187 HB1 ALA 25 HB1 ALA 25 3.685 2.929 -7.479 188 HB2 ALA 25 HB2 ALA 25 4.702 1.554 -7.000 189 HB3 ALA 25 HB3 ALA 25 3.445 2.151 -5.893 190 HA PRO 26 HA PRO 26 8.033 5.526 -8.261 191 HB2 PRO 26 HB2 PRO 26 10.290 5.979 -6.732 192 HB3 PRO 26 HB3 PRO 26 8.863 7.045 -6.800 193 HG2 PRO 26 HG2 PRO 26 9.509 4.921 -4.752 194 HG3 PRO 26 HG3 PRO 26 8.931 6.590 -4.470 195 HD2 PRO 26 HD2 PRO 26 7.228 4.453 -4.444 196 HD3 PRO 26 HD3 PRO 26 6.750 6.033 -5.138 197 H TYR 27 H TYR 27 8.939 2.761 -6.214 198 HA TYR 27 HA TYR 27 10.868 1.840 -8.323 199 HB2 TYR 27 HB2 TYR 27 10.848 1.240 -5.370 200 HB3 TYR 27 HB3 TYR 27 12.031 0.681 -6.516 201 HD1 TYR 27 HD1 TYR 27 11.006 3.276 -4.278 202 HD2 TYR 27 HD2 TYR 27 13.696 2.390 -7.510 203 HE1 TYR 27 HE1 TYR 27 12.343 5.286 -3.690 204 HE2 TYR 27 HE2 TYR 27 15.047 4.387 -6.939 205 HH TYR 27 HH TYR 27 14.915 6.494 -5.784 206 H ALA 28 H ALA 28 8.093 0.954 -6.402 207 HA ALA 28 HA ALA 28 8.367 -1.916 -6.721 208 HB1 ALA 28 HB1 ALA 28 7.056 -0.942 -4.855 209 HB2 ALA 28 HB2 ALA 28 5.896 -0.266 -6.020 210 HB3 ALA 28 HB3 ALA 28 6.083 -2.028 -5.870 211 H VAL 29 H VAL 29 8.309 -2.768 -8.675 212 HA VAL 29 HA VAL 29 7.394 -1.196 -10.936 213 HB VAL 29 HB VAL 29 8.579 -3.973 -11.206 214 HG11 VAL 29 HG11 VAL 29 9.459 -2.971 -13.258 215 HG12 VAL 29 HG12 VAL 29 7.734 -2.583 -13.148 216 HG13 VAL 29 HG13 VAL 29 8.939 -1.349 -12.737 217 HG21 VAL 29 HG21 VAL 29 10.202 -1.483 -10.568 218 HG22 VAL 29 HG22 VAL 29 10.092 -2.955 -9.573 219 HG23 VAL 29 HG23 VAL 29 10.843 -3.037 -11.156 220 H LEU 30 H LEU 30 5.200 -1.553 -9.854 221 HA LEU 30 HA LEU 30 3.784 -4.013 -10.778 222 HB2 LEU 30 HB2 LEU 30 2.529 -1.916 -9.019 223 HB3 LEU 30 HB3 LEU 30 2.101 -3.607 -9.193 224 HG LEU 30 HG LEU 30 4.479 -2.404 -7.712 225 HD11 LEU 30 HD11 LEU 30 2.284 -2.287 -6.596 226 HD12 LEU 30 HD12 LEU 30 3.446 -3.323 -5.756 227 HD13 LEU 30 HD13 LEU 30 2.145 -4.061 -6.701 228 HD21 LEU 30 HD21 LEU 30 3.874 -5.384 -7.911 229 HD22 LEU 30 HD22 LEU 30 5.165 -4.609 -6.988 230 HD23 LEU 30 HD23 LEU 30 5.213 -4.580 -8.743 231 H SER 31 H SER 31 1.277 -3.074 -11.206 232 HA SER 31 HA SER 31 1.410 -0.388 -12.338 233 HB2 SER 31 HB2 SER 31 -0.065 -1.074 -14.315 234 HB3 SER 31 HB3 SER 31 1.680 -1.228 -14.415 235 HG SER 31 HG SER 31 0.712 -2.984 -15.277 236 H SER 32 H SER 32 -0.884 -3.135 -12.146 237 HA SER 32 HA SER 32 -2.264 -1.677 -9.958 238 HB2 SER 32 HB2 SER 32 -3.187 -0.932 -12.249 239 HB3 SER 32 HB3 SER 32 -3.855 -2.566 -12.389 240 HG SER 32 HG SER 32 -4.503 -0.411 -10.729 241 H SER 33 H SER 33 -2.574 -4.583 -12.055 242 HA SER 33 HA SER 33 -4.264 -5.893 -10.216 243 HB2 SER 33 HB2 SER 33 -2.713 -7.013 -12.561 244 HB3 SER 33 HB3 SER 33 -4.136 -7.725 -11.796 245 HG SER 33 HG SER 33 -5.360 -5.977 -12.524 246 H ASN 34 H ASN 34 -1.526 -5.394 -9.210 247 HA ASN 34 HA ASN 34 -1.004 -8.057 -7.918 248 HB2 ASN 34 HB2 ASN 34 0.430 -5.398 -7.886 249 HB3 ASN 34 HB3 ASN 34 0.376 -6.309 -6.381 250 HD21 ASN 34 HD21 ASN 34 1.843 -6.155 -9.514 251 HD22 ASN 34 HD22 ASN 34 2.976 -7.457 -9.157 252 H VAL 35 H VAL 35 -2.115 -4.674 -7.338 253 HA VAL 35 HA VAL 35 -1.972 -5.148 -4.545 254 HB VAL 35 HB VAL 35 -3.127 -2.773 -6.069 255 HG11 VAL 35 HG11 VAL 35 -2.451 -1.502 -4.006 256 HG12 VAL 35 HG12 VAL 35 -3.754 -2.638 -3.703 257 HG13 VAL 35 HG13 VAL 35 -2.092 -3.046 -3.204 258 HG21 VAL 35 HG21 VAL 35 -0.835 -1.822 -5.643 259 HG22 VAL 35 HG22 VAL 35 -0.289 -3.437 -5.163 260 HG23 VAL 35 HG23 VAL 35 -0.853 -3.126 -6.823 261 H ARG 36 H ARG 36 -3.543 -5.167 -2.964 262 HA ARG 36 HA ARG 36 -6.365 -5.237 -3.798 263 HB2 ARG 36 HB2 ARG 36 -5.358 -7.580 -3.676 264 HB3 ARG 36 HB3 ARG 36 -4.989 -7.286 -1.975 265 HG2 ARG 36 HG2 ARG 36 -7.000 -8.648 -2.327 266 HG3 ARG 36 HG3 ARG 36 -7.373 -7.167 -1.456 267 HD2 ARG 36 HD2 ARG 36 -8.711 -6.329 -3.138 268 HD3 ARG 36 HD3 ARG 36 -7.663 -6.938 -4.411 269 HE ARG 36 HE ARG 36 -9.887 -8.349 -3.102 270 HH11 ARG 36 HH11 ARG 36 -7.452 -8.406 -5.758 271 HH12 ARG 36 HH12 ARG 36 -7.666 -10.111 -6.018 272 HH21 ARG 36 HH21 ARG 36 -10.100 -10.588 -3.524 273 HH22 ARG 36 HH22 ARG 36 -9.413 -11.270 -4.941 274 H VAL 37 H VAL 37 -7.617 -4.092 -2.286 275 HA VAL 37 HA VAL 37 -6.284 -3.334 0.267 276 HB VAL 37 HB VAL 37 -8.654 -1.868 -0.772 277 HG11 VAL 37 HG11 VAL 37 -6.140 -0.954 0.668 278 HG12 VAL 37 HG12 VAL 37 -7.554 0.023 0.344 279 HG13 VAL 37 HG13 VAL 37 -7.666 -1.353 1.466 280 HG21 VAL 37 HG21 VAL 37 -7.359 -1.732 -2.786 281 HG22 VAL 37 HG22 VAL 37 -7.306 -0.190 -1.914 282 HG23 VAL 37 HG23 VAL 37 -5.896 -1.291 -1.882 283 H ILE 38 H ILE 38 -7.649 -5.807 -0.312 284 HA ILE 38 HA ILE 38 -9.359 -7.195 0.196 285 HB ILE 38 HB ILE 38 -9.401 -5.770 2.853 286 HG12 ILE 38 HG12 ILE 38 -7.078 -5.817 2.540 287 HG13 ILE 38 HG13 ILE 38 -7.495 -7.122 3.622 288 HG21 ILE 38 HG21 ILE 38 -9.546 -8.729 2.149 289 HG22 ILE 38 HG22 ILE 38 -9.681 -8.027 3.774 290 HG23 ILE 38 HG23 ILE 38 -10.927 -7.698 2.561 291 HD11 ILE 38 HD11 ILE 38 -7.239 -8.754 1.729 292 HD12 ILE 38 HD12 ILE 38 -6.671 -7.401 0.713 293 HD13 ILE 38 HD13 ILE 38 -5.765 -7.863 2.151 294 H LYS 39 H LYS 39 -10.527 -5.731 -1.506 295 HA LYS 39 HA LYS 39 -12.429 -3.776 -0.602 296 HB2 LYS 39 HB2 LYS 39 -11.980 -5.233 -3.220 297 HB3 LYS 39 HB3 LYS 39 -13.422 -4.253 -2.986 298 HG2 LYS 39 HG2 LYS 39 -10.873 -2.901 -2.202 299 HG3 LYS 39 HG3 LYS 39 -10.985 -3.288 -3.910 300 HD2 LYS 39 HD2 LYS 39 -13.229 -1.822 -2.476 301 HD3 LYS 39 HD3 LYS 39 -11.830 -0.980 -3.135 302 HE2 LYS 39 HE2 LYS 39 -12.238 -1.881 -5.365 303 HE3 LYS 39 HE3 LYS 39 -13.717 -2.667 -4.796 304 HZ1 LYS 39 HZ1 LYS 39 -14.627 -0.512 -4.329 305 HZ2 LYS 39 HZ2 LYS 39 -14.055 -0.489 -5.890 306 HZ3 LYS 39 HZ3 LYS 39 -13.233 0.262 -4.678 307 H ASP 40 H ASP 40 -14.404 -4.091 0.265 308 HA ASP 40 HA ASP 40 -14.840 -6.716 1.263 309 HB2 ASP 40 HB2 ASP 40 -15.358 -4.429 2.350 310 HB3 ASP 40 HB3 ASP 40 -16.853 -4.464 1.374 311 H LYS 41 H LYS 41 -16.337 -8.362 0.712 312 HA LYS 41 HA LYS 41 -17.541 -8.372 -1.830 313 HB2 LYS 41 HB2 LYS 41 -18.924 -10.200 -0.965 314 HB3 LYS 41 HB3 LYS 41 -17.173 -10.457 -0.738 315 HG2 LYS 41 HG2 LYS 41 -17.583 -9.919 1.722 316 HG3 LYS 41 HG3 LYS 41 -19.277 -9.653 1.336 317 HD2 LYS 41 HD2 LYS 41 -18.913 -11.888 2.300 318 HD3 LYS 41 HD3 LYS 41 -19.610 -11.948 0.686 319 HE2 LYS 41 HE2 LYS 41 -17.896 -13.685 0.989 320 HE3 LYS 41 HE3 LYS 41 -17.466 -12.562 -0.299 321 HZ1 LYS 41 HZ1 LYS 41 -15.989 -11.435 1.295 322 HZ2 LYS 41 HZ2 LYS 41 -15.580 -13.007 1.071 323 HZ3 LYS 41 HZ3 LYS 41 -16.369 -12.530 2.449 324 H GLN 42 H GLN 42 -18.848 -7.202 1.128 325 HA GLN 42 HA GLN 42 -21.628 -7.212 0.160 326 HB2 GLN 42 HB2 GLN 42 -20.429 -6.212 2.773 327 HB3 GLN 42 HB3 GLN 42 -22.118 -6.070 2.344 328 HG2 GLN 42 HG2 GLN 42 -22.529 -8.071 3.130 329 HG3 GLN 42 HG3 GLN 42 -21.653 -8.767 1.794 330 HE21 GLN 42 HE21 GLN 42 -19.041 -7.443 3.448 331 HE22 GLN 42 HE22 GLN 42 -18.839 -8.678 4.647 332 H THR 43 H THR 43 -19.079 -4.785 0.307 333 HA THR 43 HA THR 43 -21.045 -2.794 -0.732 334 HB THR 43 HB THR 43 -20.825 -2.523 1.701 335 HG1 THR 43 HG1 THR 43 -20.318 -0.443 1.772 336 HG21 THR 43 HG21 THR 43 -17.858 -2.317 1.162 337 HG22 THR 43 HG22 THR 43 -18.731 -3.457 2.225 338 HG23 THR 43 HG23 THR 43 -18.658 -1.747 2.621 339 H GLN 44 H GLN 44 -17.969 -4.232 -1.153 340 HA GLN 44 HA GLN 44 -16.111 -3.840 -2.227 341 HB2 GLN 44 HB2 GLN 44 -17.792 -2.326 -4.234 342 HB3 GLN 44 HB3 GLN 44 -16.200 -3.034 -4.480 343 HG2 GLN 44 HG2 GLN 44 -17.624 -4.614 -5.407 344 HG3 GLN 44 HG3 GLN 44 -17.214 -5.301 -3.826 345 HE21 GLN 44 HE21 GLN 44 -19.086 -6.320 -3.021 346 HE22 GLN 44 HE22 GLN 44 -20.695 -5.677 -3.153 347 H LEU 45 H LEU 45 -16.382 -2.189 -0.091 348 HA LEU 45 HA LEU 45 -14.961 0.305 -0.909 349 HB2 LEU 45 HB2 LEU 45 -15.978 -0.581 1.823 350 HB3 LEU 45 HB3 LEU 45 -15.283 0.984 1.422 351 HG LEU 45 HG LEU 45 -17.875 -0.132 0.282 352 HD11 LEU 45 HD11 LEU 45 -19.025 1.490 1.660 353 HD12 LEU 45 HD12 LEU 45 -17.481 2.044 2.367 354 HD13 LEU 45 HD13 LEU 45 -18.092 0.388 2.652 355 HD21 LEU 45 HD21 LEU 45 -16.670 2.621 -0.045 356 HD22 LEU 45 HD22 LEU 45 -18.264 2.070 -0.635 357 HD23 LEU 45 HD23 LEU 45 -16.799 1.365 -1.307 358 H ASN 46 H ASN 46 -12.922 0.703 0.116 359 HA ASN 46 HA ASN 46 -11.210 -1.636 0.370 360 HB2 ASN 46 HB2 ASN 46 -10.721 1.247 1.237 361 HB3 ASN 46 HB3 ASN 46 -9.519 -0.012 1.162 362 HD21 ASN 46 HD21 ASN 46 -9.458 2.612 -0.254 363 HD22 ASN 46 HD22 ASN 46 -9.636 2.284 -1.909 364 H ARG 47 H ARG 47 -10.825 -2.825 2.285 365 HA ARG 47 HA ARG 47 -12.028 -2.053 4.842 366 HB2 ARG 47 HB2 ARG 47 -9.747 -3.949 4.207 367 HB3 ARG 47 HB3 ARG 47 -10.435 -3.763 5.816 368 HG2 ARG 47 HG2 ARG 47 -12.450 -4.403 3.706 369 HG3 ARG 47 HG3 ARG 47 -11.277 -5.675 4.028 370 HD2 ARG 47 HD2 ARG 47 -12.867 -4.399 6.259 371 HD3 ARG 47 HD3 ARG 47 -13.469 -5.749 5.291 372 HE ARG 47 HE ARG 47 -10.885 -6.417 6.253 373 HH11 ARG 47 HH11 ARG 47 -14.315 -6.372 7.366 374 HH12 ARG 47 HH12 ARG 47 -13.890 -7.076 8.893 375 HH21 ARG 47 HH21 ARG 47 -10.582 -7.833 8.029 376 HH22 ARG 47 HH22 ARG 47 -11.870 -8.140 9.143 377 H GLY 48 H GLY 48 -9.245 -1.023 3.102 378 HA2 GLY 48 HA2 GLY 48 -8.517 1.187 3.620 379 HA3 GLY 48 HA3 GLY 48 -8.792 0.859 5.324 380 H PHE 49 H PHE 49 -7.115 -1.722 3.735 381 HA PHE 49 HA PHE 49 -4.474 -0.559 4.217 382 HB2 PHE 49 HB2 PHE 49 -3.937 -2.980 5.053 383 HB3 PHE 49 HB3 PHE 49 -4.391 -1.686 6.148 384 HD1 PHE 49 HD1 PHE 49 -5.520 -4.864 4.625 385 HD2 PHE 49 HD2 PHE 49 -6.566 -1.635 7.283 386 HE1 PHE 49 HE1 PHE 49 -7.277 -6.281 5.664 387 HE2 PHE 49 HE2 PHE 49 -8.380 -3.032 8.255 388 HZ PHE 49 HZ PHE 49 -8.715 -5.359 7.460 389 H ALA 50 H ALA 50 -3.423 -0.752 2.333 390 HA ALA 50 HA ALA 50 -4.332 -2.816 0.380 391 HB1 ALA 50 HB1 ALA 50 -2.928 -1.605 -1.273 392 HB2 ALA 50 HB2 ALA 50 -4.213 -0.583 -0.634 393 HB3 ALA 50 HB3 ALA 50 -2.554 -0.386 -0.066 394 H PHE 51 H PHE 51 -2.984 -4.355 -0.342 395 HA PHE 51 HA PHE 51 -0.373 -4.727 1.034 396 HB2 PHE 51 HB2 PHE 51 -2.411 -6.592 -0.203 397 HB3 PHE 51 HB3 PHE 51 -0.727 -7.067 -0.029 398 HD1 PHE 51 HD1 PHE 51 -0.441 -8.585 1.709 399 HD2 PHE 51 HD2 PHE 51 -3.160 -5.284 2.325 400 HE1 PHE 51 HE1 PHE 51 -0.790 -9.301 4.035 401 HE2 PHE 51 HE2 PHE 51 -3.471 -5.998 4.665 402 HZ PHE 51 HZ PHE 51 -2.299 -8.006 5.533 403 H ILE 52 H ILE 52 0.868 -3.346 -0.194 404 HA ILE 52 HA ILE 52 0.898 -3.455 -3.152 405 HB ILE 52 HB ILE 52 2.752 -2.081 -1.164 406 HG12 ILE 52 HG12 ILE 52 0.469 -1.135 -1.038 407 HG13 ILE 52 HG13 ILE 52 1.684 -0.001 -1.638 408 HG21 ILE 52 HG21 ILE 52 3.957 -2.341 -3.218 409 HG22 ILE 52 HG22 ILE 52 2.557 -1.847 -4.195 410 HG23 ILE 52 HG23 ILE 52 3.406 -0.673 -3.182 411 HD11 ILE 52 HD11 ILE 52 -0.474 0.129 -2.855 412 HD12 ILE 52 HD12 ILE 52 0.872 -0.259 -3.924 413 HD13 ILE 52 HD13 ILE 52 -0.247 -1.536 -3.397 414 H GLN 53 H GLN 53 2.294 -4.838 -4.284 415 HA GLN 53 HA GLN 53 3.890 -6.753 -2.761 416 HB2 GLN 53 HB2 GLN 53 2.409 -6.755 -5.161 417 HB3 GLN 53 HB3 GLN 53 4.046 -6.577 -5.736 418 HG2 GLN 53 HG2 GLN 53 3.690 -8.908 -5.703 419 HG3 GLN 53 HG3 GLN 53 4.593 -8.616 -4.220 420 HE21 GLN 53 HE21 GLN 53 3.724 -9.913 -2.588 421 HE22 GLN 53 HE22 GLN 53 2.048 -10.145 -2.282 422 H LEU 54 H LEU 54 6.194 -6.911 -3.101 423 HA LEU 54 HA LEU 54 7.404 -4.715 -4.710 424 HB2 LEU 54 HB2 LEU 54 8.056 -5.624 -1.952 425 HB3 LEU 54 HB3 LEU 54 9.449 -5.676 -2.964 426 HG LEU 54 HG LEU 54 9.376 -3.586 -1.841 427 HD11 LEU 54 HD11 LEU 54 8.731 -3.070 -4.775 428 HD12 LEU 54 HD12 LEU 54 10.289 -3.645 -4.164 429 HD13 LEU 54 HD13 LEU 54 9.689 -2.064 -3.693 430 HD21 LEU 54 HD21 LEU 54 6.775 -3.621 -1.692 431 HD22 LEU 54 HD22 LEU 54 6.818 -2.791 -3.251 432 HD23 LEU 54 HD23 LEU 54 7.589 -2.059 -1.832 433 H SER 55 H SER 55 9.699 -5.310 -5.456 434 HA SER 55 HA SER 55 9.675 -7.681 -6.994 435 HB2 SER 55 HB2 SER 55 11.978 -5.873 -6.165 436 HB3 SER 55 HB3 SER 55 12.055 -7.141 -7.391 437 HG SER 55 HG SER 55 11.669 -5.059 -8.258 438 H THR 56 H THR 56 11.422 -6.910 -3.885 439 HA THR 56 HA THR 56 11.399 -9.780 -3.280 440 HB THR 56 HB THR 56 13.837 -9.494 -2.535 441 HG1 THR 56 HG1 THR 56 14.246 -7.722 -4.602 442 HG21 THR 56 HG21 THR 56 14.711 -10.216 -4.680 443 HG22 THR 56 HG22 THR 56 13.302 -9.573 -5.525 444 HG23 THR 56 HG23 THR 56 13.122 -10.930 -4.398 445 H ILE 57 H ILE 57 11.714 -10.234 -1.106 446 HA ILE 57 HA ILE 57 10.898 -8.658 0.977 447 HB ILE 57 HB ILE 57 12.180 -10.132 2.412 448 HG12 ILE 57 HG12 ILE 57 13.504 -12.061 1.044 449 HG13 ILE 57 HG13 ILE 57 13.860 -10.706 -0.017 450 HG21 ILE 57 HG21 ILE 57 11.146 -11.795 0.089 451 HG22 ILE 57 HG22 ILE 57 11.230 -12.243 1.799 452 HG23 ILE 57 HG23 ILE 57 10.115 -10.979 1.277 453 HD11 ILE 57 HD11 ILE 57 14.723 -9.465 2.066 454 HD12 ILE 57 HD12 ILE 57 14.418 -10.945 2.968 455 HD13 ILE 57 HD13 ILE 57 15.613 -10.926 1.652 456 H VAL 58 H VAL 58 14.014 -8.497 -0.642 457 HA VAL 58 HA VAL 58 15.399 -6.936 1.272 458 HB VAL 58 HB VAL 58 15.854 -7.237 -1.726 459 HG11 VAL 58 HG11 VAL 58 17.650 -6.211 0.525 460 HG12 VAL 58 HG12 VAL 58 18.237 -6.690 -1.090 461 HG13 VAL 58 HG13 VAL 58 17.127 -5.348 -0.945 462 HG21 VAL 58 HG21 VAL 58 16.940 -8.746 0.708 463 HG22 VAL 58 HG22 VAL 58 15.924 -9.412 -0.587 464 HG23 VAL 58 HG23 VAL 58 17.574 -8.912 -0.943 465 H GLU 59 H GLU 59 13.884 -5.860 -1.876 466 HA GLU 59 HA GLU 59 14.304 -3.137 -1.147 467 HB2 GLU 59 HB2 GLU 59 12.292 -4.124 -3.180 468 HB3 GLU 59 HB3 GLU 59 13.042 -2.528 -3.089 469 HG2 GLU 59 HG2 GLU 59 14.216 -5.148 -3.966 470 HG3 GLU 59 HG3 GLU 59 14.175 -3.615 -4.826 471 H ALA 60 H ALA 60 11.690 -5.263 -0.319 472 HA ALA 60 HA ALA 60 9.720 -3.351 0.398 473 HB1 ALA 60 HB1 ALA 60 8.841 -5.032 1.871 474 HB2 ALA 60 HB2 ALA 60 9.377 -5.792 0.365 475 HB3 ALA 60 HB3 ALA 60 10.378 -5.941 1.828 476 H ALA 61 H ALA 61 12.827 -4.058 1.984 477 HA ALA 61 HA ALA 61 12.155 -2.431 4.335 478 HB1 ALA 61 HB1 ALA 61 14.519 -2.719 4.922 479 HB2 ALA 61 HB2 ALA 61 13.770 -4.283 4.553 480 HB3 ALA 61 HB3 ALA 61 14.821 -3.491 3.354 481 H GLN 62 H GLN 62 14.295 -2.062 1.426 482 HA GLN 62 HA GLN 62 15.270 0.492 2.091 483 HB2 GLN 62 HB2 GLN 62 14.893 -0.879 -0.599 484 HB3 GLN 62 HB3 GLN 62 15.506 0.757 -0.480 485 HG2 GLN 62 HG2 GLN 62 17.379 -0.714 -0.660 486 HG3 GLN 62 HG3 GLN 62 17.381 0.013 0.959 487 HE21 GLN 62 HE21 GLN 62 16.455 -2.878 -0.956 488 HE22 GLN 62 HE22 GLN 62 16.595 -4.000 0.408 489 H LEU 63 H LEU 63 12.320 -0.346 0.166 490 HA LEU 63 HA LEU 63 11.690 2.386 -0.446 491 HB2 LEU 63 HB2 LEU 63 10.062 -0.178 -0.347 492 HB3 LEU 63 HB3 LEU 63 9.256 1.385 -0.428 493 HG LEU 63 HG LEU 63 10.671 1.969 -2.448 494 HD11 LEU 63 HD11 LEU 63 12.460 0.292 -2.237 495 HD12 LEU 63 HD12 LEU 63 11.596 0.019 -3.744 496 HD13 LEU 63 HD13 LEU 63 11.264 -1.014 -2.359 497 HD21 LEU 63 HD21 LEU 63 8.721 -0.348 -2.585 498 HD22 LEU 63 HD22 LEU 63 9.209 0.625 -3.979 499 HD23 LEU 63 HD23 LEU 63 8.316 1.363 -2.640 500 H LEU 64 H LEU 64 10.735 0.253 2.293 501 HA LEU 64 HA LEU 64 9.099 2.290 3.406 502 HB2 LEU 64 HB2 LEU 64 8.920 -0.272 3.624 503 HB3 LEU 64 HB3 LEU 64 10.170 -0.157 4.873 504 HG LEU 64 HG LEU 64 8.395 1.796 5.752 505 HD11 LEU 64 HD11 LEU 64 6.130 0.964 5.445 506 HD12 LEU 64 HD12 LEU 64 6.733 -0.335 4.432 507 HD13 LEU 64 HD13 LEU 64 6.865 1.365 3.889 508 HD21 LEU 64 HD21 LEU 64 8.214 -1.176 6.366 509 HD22 LEU 64 HD22 LEU 64 7.526 0.145 7.341 510 HD23 LEU 64 HD23 LEU 64 9.277 0.041 7.138 511 H GLN 65 H GLN 65 11.818 3.227 3.099 512 HA GLN 65 HA GLN 65 12.066 4.457 5.668 513 HB2 GLN 65 HB2 GLN 65 14.492 4.049 5.999 514 HB3 GLN 65 HB3 GLN 65 13.486 2.641 6.206 515 HG2 GLN 65 HG2 GLN 65 14.147 2.023 3.772 516 HG3 GLN 65 HG3 GLN 65 15.415 3.241 3.939 517 HE21 GLN 65 HE21 GLN 65 14.109 0.163 5.120 518 HE22 GLN 65 HE22 GLN 65 15.500 -0.271 6.146 519 H ILE 66 H ILE 66 13.516 4.034 2.381 520 HA ILE 66 HA ILE 66 14.282 6.756 2.055 521 HB ILE 66 HB ILE 66 13.361 4.720 -0.002 522 HG12 ILE 66 HG12 ILE 66 16.226 5.419 0.730 523 HG13 ILE 66 HG13 ILE 66 15.396 4.061 1.455 524 HG21 ILE 66 HG21 ILE 66 14.973 7.277 -0.392 525 HG22 ILE 66 HG22 ILE 66 14.607 6.084 -1.659 526 HG23 ILE 66 HG23 ILE 66 13.305 7.007 -0.920 527 HD11 ILE 66 HD11 ILE 66 16.124 4.398 -1.473 528 HD12 ILE 66 HD12 ILE 66 16.646 3.149 -0.326 529 HD13 ILE 66 HD13 ILE 66 14.973 3.167 -0.903 530 H LEU 67 H LEU 67 11.149 5.067 1.275 531 HA LEU 67 HA LEU 67 10.222 7.317 -0.148 532 HB2 LEU 67 HB2 LEU 67 8.578 5.118 1.171 533 HB3 LEU 67 HB3 LEU 67 7.968 6.269 0.003 534 HG LEU 67 HG LEU 67 9.614 3.836 -0.396 535 HD11 LEU 67 HD11 LEU 67 8.242 3.641 -2.405 536 HD12 LEU 67 HD12 LEU 67 7.540 5.244 -2.083 537 HD13 LEU 67 HD13 LEU 67 7.294 3.906 -0.936 538 HD21 LEU 67 HD21 LEU 67 10.417 4.561 -2.620 539 HD22 LEU 67 HD22 LEU 67 11.236 5.429 -1.331 540 HD23 LEU 67 HD23 LEU 67 9.941 6.234 -2.249 541 H GLN 68 H GLN 68 9.891 6.574 3.277 542 HA GLN 68 HA GLN 68 7.893 8.479 3.959 543 HB2 GLN 68 HB2 GLN 68 10.265 7.291 5.428 544 HB3 GLN 68 HB3 GLN 68 9.173 8.439 6.213 545 HG2 GLN 68 HG2 GLN 68 7.299 7.038 6.016 546 HG3 GLN 68 HG3 GLN 68 8.049 6.032 4.774 547 HE21 GLN 68 HE21 GLN 68 8.046 4.025 5.705 548 HE22 GLN 68 HE22 GLN 68 8.797 3.660 7.247 549 H ALA 69 H ALA 69 11.314 8.927 3.146 550 HA ALA 69 HA ALA 69 11.456 11.611 4.267 551 HB1 ALA 69 HB1 ALA 69 13.324 10.082 2.383 552 HB2 ALA 69 HB2 ALA 69 13.710 11.550 3.261 553 HB3 ALA 69 HB3 ALA 69 13.407 10.056 4.158 554 H LEU 70 H LEU 70 10.377 10.238 1.267 555 HA LEU 70 HA LEU 70 10.800 12.767 -0.223 556 HB2 LEU 70 HB2 LEU 70 10.636 9.958 -1.374 557 HB3 LEU 70 HB3 LEU 70 11.165 11.424 -2.195 558 HG LEU 70 HG LEU 70 12.666 9.903 -0.039 559 HD11 LEU 70 HD11 LEU 70 14.246 9.406 -1.805 560 HD12 LEU 70 HD12 LEU 70 13.314 10.369 -2.974 561 HD13 LEU 70 HD13 LEU 70 12.625 8.876 -2.293 562 HD21 LEU 70 HD21 LEU 70 14.543 11.459 -0.470 563 HD22 LEU 70 HD22 LEU 70 13.152 12.278 0.232 564 HD23 LEU 70 HD23 LEU 70 13.479 12.451 -1.505 565 H HIS 71 H HIS 71 9.414 12.534 -2.365 566 HA HIS 71 HA HIS 71 7.502 12.800 -3.435 567 HB2 HIS 71 HB2 HIS 71 6.639 10.535 -1.653 568 HB3 HIS 71 HB3 HIS 71 5.409 11.430 -2.465 569 HD1 HIS 71 HD1 HIS 71 4.891 10.710 -4.918 570 HD2 HIS 71 HD2 HIS 71 8.724 9.595 -3.525 571 HE1 HIS 71 HE1 HIS 71 5.900 9.200 -6.691 572 HA PRO 72 HA PRO 72 5.372 16.058 -1.416 573 HB2 PRO 72 HB2 PRO 72 2.787 15.993 -2.438 574 HB3 PRO 72 HB3 PRO 72 4.234 16.541 -3.350 575 HG2 PRO 72 HG2 PRO 72 2.948 13.818 -3.390 576 HG3 PRO 72 HG3 PRO 72 3.404 14.853 -4.789 577 HD2 PRO 72 HD2 PRO 72 5.077 12.918 -3.997 578 HD3 PRO 72 HD3 PRO 72 5.728 14.522 -4.390 579 HA PRO 73 HA PRO 73 3.214 14.486 2.156 580 HB2 PRO 73 HB2 PRO 73 1.643 16.540 3.020 581 HB3 PRO 73 HB3 PRO 73 3.431 16.617 3.004 582 HG2 PRO 73 HG2 PRO 73 1.537 17.633 0.858 583 HG3 PRO 73 HG3 PRO 73 2.839 18.539 1.689 584 HD2 PRO 73 HD2 PRO 73 3.267 17.401 -0.705 585 HD3 PRO 73 HD3 PRO 73 4.529 17.324 0.558 586 H LEU 74 H LEU 74 2.317 13.008 0.613 587 HA LEU 74 HA LEU 74 -0.107 12.909 -0.662 588 HB2 LEU 74 HB2 LEU 74 2.010 11.373 -0.530 589 HB3 LEU 74 HB3 LEU 74 1.224 10.615 0.826 590 HG LEU 74 HG LEU 74 0.507 10.643 -2.080 591 HD11 LEU 74 HD11 LEU 74 2.059 8.932 -1.238 592 HD12 LEU 74 HD12 LEU 74 0.545 8.181 -1.766 593 HD13 LEU 74 HD13 LEU 74 0.853 8.399 -0.041 594 HD21 LEU 74 HD21 LEU 74 -1.387 9.732 0.109 595 HD22 LEU 74 HD22 LEU 74 -1.538 9.342 -1.627 596 HD23 LEU 74 HD23 LEU 74 -1.661 11.014 -1.107 597 H THR 75 H THR 75 -2.172 13.279 0.248 598 HA THR 75 HA THR 75 -2.890 11.760 2.619 599 HB THR 75 HB THR 75 -3.582 14.688 2.675 600 HG1 THR 75 HG1 THR 75 -1.165 14.404 2.620 601 HG21 THR 75 HG21 THR 75 -3.796 14.404 5.044 602 HG22 THR 75 HG22 THR 75 -3.017 12.814 4.971 603 HG23 THR 75 HG23 THR 75 -4.620 13.058 4.239 604 H ILE 76 H ILE 76 -4.287 10.623 1.257 605 HA ILE 76 HA ILE 76 -6.149 12.189 -0.422 606 HB ILE 76 HB ILE 76 -5.989 9.171 -0.178 607 HG12 ILE 76 HG12 ILE 76 -4.493 11.172 -1.930 608 HG13 ILE 76 HG13 ILE 76 -3.853 9.889 -0.889 609 HG21 ILE 76 HG21 ILE 76 -8.137 10.101 -1.088 610 HG22 ILE 76 HG22 ILE 76 -7.208 10.971 -2.331 611 HG23 ILE 76 HG23 ILE 76 -7.243 9.200 -2.298 612 HD11 ILE 76 HD11 ILE 76 -3.564 9.057 -3.020 613 HD12 ILE 76 HD12 ILE 76 -5.058 8.264 -2.441 614 HD13 ILE 76 HD13 ILE 76 -5.155 9.617 -3.580 615 H ASP 77 H ASP 77 -8.257 12.520 0.033 616 HA ASP 77 HA ASP 77 -10.072 12.884 1.366 617 HB2 ASP 77 HB2 ASP 77 -9.704 9.909 1.187 618 HB3 ASP 77 HB3 ASP 77 -10.976 10.517 2.233 619 H GLY 78 H GLY 78 -7.680 13.458 2.587 620 HA2 GLY 78 HA2 GLY 78 -6.696 14.099 4.491 621 HA3 GLY 78 HA3 GLY 78 -8.224 13.965 5.314 622 H LYS 79 H LYS 79 -6.972 11.091 3.821 623 HA LYS 79 HA LYS 79 -6.088 9.966 6.437 624 HB2 LYS 79 HB2 LYS 79 -6.564 8.504 3.809 625 HB3 LYS 79 HB3 LYS 79 -6.352 7.862 5.405 626 HG2 LYS 79 HG2 LYS 79 -8.802 9.082 4.207 627 HG3 LYS 79 HG3 LYS 79 -8.594 7.511 4.911 628 HD2 LYS 79 HD2 LYS 79 -8.639 10.102 6.518 629 HD3 LYS 79 HD3 LYS 79 -9.995 9.006 6.288 630 HE2 LYS 79 HE2 LYS 79 -8.705 7.161 7.349 631 HE3 LYS 79 HE3 LYS 79 -7.347 8.280 7.620 632 HZ1 LYS 79 HZ1 LYS 79 -10.054 8.652 8.767 633 HZ2 LYS 79 HZ2 LYS 79 -8.726 9.577 9.058 634 HZ3 LYS 79 HZ3 LYS 79 -8.766 8.049 9.580 635 H THR 80 H THR 80 -3.891 10.148 6.721 636 HA THR 80 HA THR 80 -2.093 10.529 4.405 637 HB THR 80 HB THR 80 -1.070 9.823 7.105 638 HG1 THR 80 HG1 THR 80 -1.943 12.470 6.907 639 HG21 THR 80 HG21 THR 80 -0.420 11.995 5.099 640 HG22 THR 80 HG22 THR 80 0.459 10.469 5.413 641 HG23 THR 80 HG23 THR 80 0.415 11.753 6.636 642 H ILE 81 H ILE 81 -1.172 8.626 3.441 643 HA ILE 81 HA ILE 81 -2.204 6.060 4.397 644 HB ILE 81 HB ILE 81 -0.185 6.572 2.200 645 HG12 ILE 81 HG12 ILE 81 -2.010 7.988 1.537 646 HG13 ILE 81 HG13 ILE 81 -2.059 6.544 0.555 647 HG21 ILE 81 HG21 ILE 81 -1.158 4.453 1.369 648 HG22 ILE 81 HG22 ILE 81 -0.423 4.283 2.979 649 HG23 ILE 81 HG23 ILE 81 -2.176 4.373 2.827 650 HD11 ILE 81 HD11 ILE 81 -4.321 7.163 1.228 651 HD12 ILE 81 HD12 ILE 81 -3.898 5.659 2.062 652 HD13 ILE 81 HD13 ILE 81 -3.878 7.194 2.940 653 H ASN 82 H ASN 82 -1.191 4.738 5.861 654 HA ASN 82 HA ASN 82 1.235 5.633 7.154 655 HB2 ASN 82 HB2 ASN 82 -0.533 3.232 7.461 656 HB3 ASN 82 HB3 ASN 82 0.931 3.427 8.401 657 HD21 ASN 82 HD21 ASN 82 -1.212 3.112 9.741 658 HD22 ASN 82 HD22 ASN 82 -1.858 4.545 10.485 659 H VAL 83 H VAL 83 2.859 3.786 7.687 660 HA VAL 83 HA VAL 83 3.799 2.442 5.228 661 HB VAL 83 HB VAL 83 6.018 3.406 5.806 662 HG11 VAL 83 HG11 VAL 83 4.526 4.506 4.139 663 HG12 VAL 83 HG12 VAL 83 3.901 5.564 5.422 664 HG13 VAL 83 HG13 VAL 83 5.601 5.639 4.966 665 HG21 VAL 83 HG21 VAL 83 5.876 3.937 8.179 666 HG22 VAL 83 HG22 VAL 83 6.055 5.458 7.317 667 HG23 VAL 83 HG23 VAL 83 4.477 4.981 7.920 668 H GLU 84 H GLU 84 2.556 0.676 6.597 669 HA GLU 84 HA GLU 84 4.426 -0.408 8.671 670 HB2 GLU 84 HB2 GLU 84 1.506 -0.933 8.074 671 HB3 GLU 84 HB3 GLU 84 2.458 -2.011 9.100 672 HG2 GLU 84 HG2 GLU 84 2.190 0.973 9.648 673 HG3 GLU 84 HG3 GLU 84 1.042 -0.202 10.246 674 H PHE 85 H PHE 85 5.367 -2.456 8.429 675 HA PHE 85 HA PHE 85 5.686 -3.531 5.749 676 HB2 PHE 85 HB2 PHE 85 6.646 -4.123 8.503 677 HB3 PHE 85 HB3 PHE 85 6.319 -5.558 7.581 678 HD1 PHE 85 HD1 PHE 85 8.900 -3.463 8.447 679 HD2 PHE 85 HD2 PHE 85 7.222 -5.364 4.951 680 HE1 PHE 85 HE1 PHE 85 11.137 -3.473 7.364 681 HE2 PHE 85 HE2 PHE 85 9.487 -5.538 3.983 682 HZ PHE 85 HZ PHE 85 11.440 -4.566 5.156 683 H ALA 86 H ALA 86 4.682 -5.459 4.831 684 HA ALA 86 HA ALA 86 2.311 -6.462 6.305 685 HB1 ALA 86 HB1 ALA 86 1.542 -7.365 4.215 686 HB2 ALA 86 HB2 ALA 86 2.036 -5.704 3.871 687 HB3 ALA 86 HB3 ALA 86 3.101 -7.059 3.452 688 H LYS 87 H LYS 87 1.855 -8.636 6.364 689 HA LYS 87 HA LYS 87 3.943 -10.562 5.723 690 HB2 LYS 87 HB2 LYS 87 4.495 -9.856 8.047 691 HB3 LYS 87 HB3 LYS 87 2.849 -10.265 8.557 692 HG2 LYS 87 HG2 LYS 87 3.173 -12.589 8.143 693 HG3 LYS 87 HG3 LYS 87 4.668 -12.308 7.231 694 HD2 LYS 87 HD2 LYS 87 5.876 -11.667 9.156 695 HD3 LYS 87 HD3 LYS 87 4.404 -11.525 10.153 696 HE2 LYS 87 HE2 LYS 87 3.997 -13.922 9.978 697 HE3 LYS 87 HE3 LYS 87 5.376 -14.101 8.865 698 HZ1 LYS 87 HZ1 LYS 87 6.835 -13.452 10.584 699 HZ2 LYS 87 HZ2 LYS 87 5.925 -14.726 11.094 700 HZ3 LYS 87 HZ3 LYS 87 5.595 -13.238 11.680 701 H GLY 88 H GLY 88 2.950 -12.233 4.785 702 HA2 GLY 88 HA2 GLY 88 0.771 -13.464 6.128 703 HA3 GLY 88 HA3 GLY 88 0.466 -13.131 4.400 704 H SER 89 H SER 89 0.666 -15.808 4.956 705 HA SER 89 HA SER 89 2.745 -16.426 3.132 706 HB2 SER 89 HB2 SER 89 3.485 -18.408 4.665 707 HB3 SER 89 HB3 SER 89 4.298 -16.847 4.766 708 HG SER 89 HG SER 89 2.171 -17.726 6.431 Start of MODEL 5 1 H1 GLY 1 H GLY 1 6.618 -14.217 -2.415 2 HA2 GLY 1 HA2 GLY 1 8.956 -13.905 -0.616 3 HA3 GLY 1 HA3 GLY 1 8.262 -12.582 -1.559 4 H HIS 2 H HIS 2 8.460 -12.317 1.197 5 HA HIS 2 HA HIS 2 5.607 -12.171 1.914 6 HB2 HIS 2 HB2 HIS 2 6.228 -12.734 4.252 7 HB3 HIS 2 HB3 HIS 2 6.131 -14.058 3.112 8 HD1 HIS 2 HD1 HIS 2 8.341 -15.380 2.568 9 HD2 HIS 2 HD2 HIS 2 8.477 -12.509 5.632 10 HE1 HIS 2 HE1 HIS 2 10.444 -15.895 3.975 11 H MET 3 H MET 3 8.893 -11.292 3.111 12 HA MET 3 HA MET 3 8.086 -8.644 3.899 13 HB2 MET 3 HB2 MET 3 10.741 -10.054 3.464 14 HB3 MET 3 HB3 MET 3 10.654 -8.382 4.001 15 HG2 MET 3 HG2 MET 3 9.846 -8.893 6.077 16 HG3 MET 3 HG3 MET 3 8.924 -10.270 5.508 17 HE1 MET 3 HE1 MET 3 12.712 -9.160 5.933 18 HE2 MET 3 HE2 MET 3 11.848 -9.121 7.484 19 HE3 MET 3 HE3 MET 3 13.141 -10.311 7.221 20 H ASP 4 H ASP 4 7.570 -9.609 1.014 21 HA ASP 4 HA ASP 4 8.776 -7.451 -0.571 22 HB2 ASP 4 HB2 ASP 4 7.760 -8.454 -2.499 23 HB3 ASP 4 HB3 ASP 4 8.839 -9.572 -1.689 24 H THR 5 H THR 5 6.107 -8.312 1.316 25 HA THR 5 HA THR 5 4.227 -6.554 -0.117 26 HB THR 5 HB THR 5 3.745 -8.638 2.031 27 HG1 THR 5 HG1 THR 5 4.482 -9.468 0.053 28 HG21 THR 5 HG21 THR 5 1.392 -8.539 1.257 29 HG22 THR 5 HG22 THR 5 1.786 -7.109 0.263 30 HG23 THR 5 HG23 THR 5 1.898 -7.018 2.012 31 H ILE 6 H ILE 6 3.325 -4.819 0.690 32 HA ILE 6 HA ILE 6 4.353 -3.713 3.263 33 HB ILE 6 HB ILE 6 3.395 -2.122 0.877 34 HG12 ILE 6 HG12 ILE 6 5.254 -3.399 0.068 35 HG13 ILE 6 HG13 ILE 6 5.698 -1.726 0.238 36 HG21 ILE 6 HG21 ILE 6 3.497 -0.735 2.874 37 HG22 ILE 6 HG22 ILE 6 5.107 -1.358 3.290 38 HG23 ILE 6 HG23 ILE 6 4.864 -0.338 1.859 39 HD11 ILE 6 HD11 ILE 6 7.559 -3.029 0.956 40 HD12 ILE 6 HD12 ILE 6 6.899 -2.310 2.410 41 HD13 ILE 6 HD13 ILE 6 6.561 -4.014 2.028 42 H ILE 7 H ILE 7 2.730 -2.069 4.115 43 HA ILE 7 HA ILE 7 -0.102 -2.780 3.604 44 HB ILE 7 HB ILE 7 1.091 -2.332 6.347 45 HG12 ILE 7 HG12 ILE 7 0.072 -4.803 4.930 46 HG13 ILE 7 HG13 ILE 7 1.649 -4.503 5.664 47 HG21 ILE 7 HG21 ILE 7 -1.101 -2.557 7.270 48 HG22 ILE 7 HG22 ILE 7 -1.256 -1.364 5.982 49 HG23 ILE 7 HG23 ILE 7 -1.770 -3.046 5.690 50 HD11 ILE 7 HD11 ILE 7 -0.980 -4.897 7.153 51 HD12 ILE 7 HD12 ILE 7 0.354 -6.038 7.038 52 HD13 ILE 7 HD13 ILE 7 0.591 -4.513 7.925 53 H LEU 8 H LEU 8 -0.437 -1.099 2.305 54 HA LEU 8 HA LEU 8 0.267 1.648 3.046 55 HB2 LEU 8 HB2 LEU 8 -1.543 0.539 0.865 56 HB3 LEU 8 HB3 LEU 8 -1.361 2.233 1.225 57 HG LEU 8 HG LEU 8 1.031 2.227 0.801 58 HD11 LEU 8 HD11 LEU 8 0.698 -0.739 0.209 59 HD12 LEU 8 HD12 LEU 8 1.854 0.059 1.293 60 HD13 LEU 8 HD13 LEU 8 2.044 0.223 -0.444 61 HD21 LEU 8 HD21 LEU 8 0.894 1.913 -1.647 62 HD22 LEU 8 HD22 LEU 8 -0.518 2.738 -0.990 63 HD23 LEU 8 HD23 LEU 8 -0.618 1.007 -1.439 64 H ARG 9 H ARG 9 -0.599 2.061 5.009 65 HA ARG 9 HA ARG 9 -3.258 1.160 5.867 66 HB2 ARG 9 HB2 ARG 9 -0.807 2.073 7.096 67 HB3 ARG 9 HB3 ARG 9 -2.022 3.261 7.494 68 HG2 ARG 9 HG2 ARG 9 -2.515 0.320 8.015 69 HG3 ARG 9 HG3 ARG 9 -1.598 1.365 9.111 70 HD2 ARG 9 HD2 ARG 9 -3.619 3.003 8.959 71 HD3 ARG 9 HD3 ARG 9 -4.522 1.598 8.350 72 HE ARG 9 HE ARG 9 -3.102 1.851 10.985 73 HH11 ARG 9 HH11 ARG 9 -6.023 0.718 9.292 74 HH12 ARG 9 HH12 ARG 9 -6.607 -0.105 10.677 75 HH21 ARG 9 HH21 ARG 9 -3.930 0.989 12.729 76 HH22 ARG 9 HH22 ARG 9 -5.475 0.164 12.733 77 H ASN 10 H ASN 10 -4.717 2.979 6.910 78 HA ASN 10 HA ASN 10 -5.982 4.824 6.800 79 HB2 ASN 10 HB2 ASN 10 -3.274 5.848 6.134 80 HB3 ASN 10 HB3 ASN 10 -4.573 6.877 5.578 81 HD21 ASN 10 HD21 ASN 10 -2.603 7.485 7.469 82 HD22 ASN 10 HD22 ASN 10 -3.359 7.801 9.027 83 H LEU 11 H LEU 11 -6.001 2.851 4.624 84 HA LEU 11 HA LEU 11 -6.303 4.331 2.154 85 HB2 LEU 11 HB2 LEU 11 -5.664 1.656 2.930 86 HB3 LEU 11 HB3 LEU 11 -7.168 1.498 2.069 87 HG LEU 11 HG LEU 11 -5.190 1.191 0.640 88 HD11 LEU 11 HD11 LEU 11 -5.855 2.775 -1.188 89 HD12 LEU 11 HD12 LEU 11 -6.845 3.682 -0.048 90 HD13 LEU 11 HD13 LEU 11 -7.253 1.994 -0.433 91 HD21 LEU 11 HD21 LEU 11 -4.523 4.106 0.877 92 HD22 LEU 11 HD22 LEU 11 -3.611 2.799 0.122 93 HD23 LEU 11 HD23 LEU 11 -3.762 2.854 1.884 94 H ASN 12 H ASN 12 -7.950 5.678 2.418 95 HA ASN 12 HA ASN 12 -10.413 5.422 3.510 96 HB2 ASN 12 HB2 ASN 12 -9.172 7.432 2.253 97 HB3 ASN 12 HB3 ASN 12 -10.181 6.920 0.910 98 HD21 ASN 12 HD21 ASN 12 -12.030 8.277 0.734 99 HD22 ASN 12 HD22 ASN 12 -12.886 8.801 2.166 100 HA PRO 13 HA PRO 13 -12.661 2.488 1.089 101 HB2 PRO 13 HB2 PRO 13 -15.277 3.105 1.548 102 HB3 PRO 13 HB3 PRO 13 -14.173 2.426 2.782 103 HG2 PRO 13 HG2 PRO 13 -14.839 5.349 2.324 104 HG3 PRO 13 HG3 PRO 13 -14.887 4.452 3.865 105 HD2 PRO 13 HD2 PRO 13 -12.776 5.920 3.251 106 HD3 PRO 13 HD3 PRO 13 -12.508 4.322 3.972 107 H HIS 14 H HIS 14 -12.955 5.818 0.182 108 HA HIS 14 HA HIS 14 -13.805 4.903 -2.536 109 HB2 HIS 14 HB2 HIS 14 -14.569 7.415 -1.012 110 HB3 HIS 14 HB3 HIS 14 -14.758 7.247 -2.755 111 HD1 HIS 14 HD1 HIS 14 -17.247 6.891 -3.265 112 HD2 HIS 14 HD2 HIS 14 -15.907 4.989 0.245 113 HE1 HIS 14 HE1 HIS 14 -19.190 5.496 -2.396 114 H SER 15 H SER 15 -11.036 5.488 -1.131 115 HA SER 15 HA SER 15 -9.973 7.517 -3.021 116 HB2 SER 15 HB2 SER 15 -8.800 5.820 -0.783 117 HB3 SER 15 HB3 SER 15 -7.763 6.549 -2.003 118 HG SER 15 HG SER 15 -8.694 8.589 -1.467 119 H THR 16 H THR 16 -8.209 6.819 -4.465 120 HA THR 16 HA THR 16 -8.772 4.188 -5.700 121 HB THR 16 HB THR 16 -8.202 5.320 -7.835 122 HG1 THR 16 HG1 THR 16 -7.448 7.266 -6.342 123 HG21 THR 16 HG21 THR 16 -10.611 6.507 -6.394 124 HG22 THR 16 HG22 THR 16 -10.565 4.927 -7.199 125 HG23 THR 16 HG23 THR 16 -10.367 6.407 -8.148 126 H MET 17 H MET 17 -7.243 2.855 -5.556 127 HA MET 17 HA MET 17 -4.625 3.051 -4.838 128 HB2 MET 17 HB2 MET 17 -4.241 1.071 -5.889 129 HB3 MET 17 HB3 MET 17 -5.786 1.075 -5.026 130 HG2 MET 17 HG2 MET 17 -5.706 1.693 -7.985 131 HG3 MET 17 HG3 MET 17 -5.505 0.113 -7.305 132 HE1 MET 17 HE1 MET 17 -7.958 2.561 -8.705 133 HE2 MET 17 HE2 MET 17 -8.027 0.916 -9.381 134 HE3 MET 17 HE3 MET 17 -9.444 1.594 -8.555 135 H ASP 18 H ASP 18 -5.941 3.997 -8.025 136 HA ASP 18 HA ASP 18 -3.560 3.857 -9.511 137 HB2 ASP 18 HB2 ASP 18 -5.951 4.232 -10.334 138 HB3 ASP 18 HB3 ASP 18 -5.735 5.941 -9.947 139 H SER 19 H SER 19 -4.955 6.579 -7.639 140 HA SER 19 HA SER 19 -2.959 8.525 -8.308 141 HB2 SER 19 HB2 SER 19 -4.651 8.396 -5.768 142 HB3 SER 19 HB3 SER 19 -4.006 9.825 -6.578 143 HG SER 19 HG SER 19 -6.262 9.412 -6.882 144 H ILE 20 H ILE 20 -3.592 6.276 -5.630 145 HA ILE 20 HA ILE 20 -1.390 7.083 -4.023 146 HB ILE 20 HB ILE 20 -2.977 4.518 -4.059 147 HG12 ILE 20 HG12 ILE 20 -3.392 6.928 -2.269 148 HG13 ILE 20 HG13 ILE 20 -4.314 6.680 -3.749 149 HG21 ILE 20 HG21 ILE 20 -1.200 5.767 -1.886 150 HG22 ILE 20 HG22 ILE 20 -2.233 4.343 -1.641 151 HG23 ILE 20 HG23 ILE 20 -0.875 4.261 -2.757 152 HD11 ILE 20 HD11 ILE 20 -4.348 4.833 -1.343 153 HD12 ILE 20 HD12 ILE 20 -5.618 5.936 -1.875 154 HD13 ILE 20 HD13 ILE 20 -5.191 4.537 -2.884 155 H LEU 21 H LEU 21 -1.557 4.604 -6.637 156 HA LEU 21 HA LEU 21 0.914 3.299 -6.032 157 HB2 LEU 21 HB2 LEU 21 -0.634 3.700 -8.621 158 HB3 LEU 21 HB3 LEU 21 0.929 2.901 -8.616 159 HG LEU 21 HG LEU 21 -1.470 1.884 -7.059 160 HD11 LEU 21 HD11 LEU 21 -1.746 0.197 -8.752 161 HD12 LEU 21 HD12 LEU 21 -0.378 0.875 -9.678 162 HD13 LEU 21 HD13 LEU 21 -1.862 1.836 -9.456 163 HD21 LEU 21 HD21 LEU 21 0.665 1.135 -6.071 164 HD22 LEU 21 HD22 LEU 21 1.201 0.585 -7.666 165 HD23 LEU 21 HD23 LEU 21 -0.177 -0.202 -6.865 166 H GLY 22 H GLY 22 0.200 6.074 -8.223 167 HA2 GLY 22 HA2 GLY 22 2.914 6.495 -8.965 168 HA3 GLY 22 HA3 GLY 22 1.613 7.691 -9.057 169 H ALA 23 H ALA 23 1.192 7.394 -5.951 170 HA ALA 23 HA ALA 23 3.451 9.175 -5.226 171 HB1 ALA 23 HB1 ALA 23 0.775 8.676 -3.923 172 HB2 ALA 23 HB2 ALA 23 1.980 9.918 -3.484 173 HB3 ALA 23 HB3 ALA 23 1.155 10.005 -5.040 174 H LEU 24 H LEU 24 3.071 5.863 -5.028 175 HA LEU 24 HA LEU 24 4.575 5.750 -2.451 176 HB2 LEU 24 HB2 LEU 24 1.883 5.468 -2.484 177 HB3 LEU 24 HB3 LEU 24 2.295 3.828 -2.923 178 HG LEU 24 HG LEU 24 1.738 4.178 -0.581 179 HD11 LEU 24 HD11 LEU 24 4.669 3.432 -0.627 180 HD12 LEU 24 HD12 LEU 24 3.347 2.343 -1.087 181 HD13 LEU 24 HD13 LEU 24 3.451 2.984 0.567 182 HD21 LEU 24 HD21 LEU 24 3.026 5.481 0.970 183 HD22 LEU 24 HD22 LEU 24 2.566 6.506 -0.400 184 HD23 LEU 24 HD23 LEU 24 4.214 5.904 -0.274 185 H ALA 25 H ALA 25 4.911 4.999 -5.602 186 HA ALA 25 HA ALA 25 6.296 2.438 -4.967 187 HB1 ALA 25 HB1 ALA 25 5.314 1.379 -6.886 188 HB2 ALA 25 HB2 ALA 25 4.047 1.939 -5.792 189 HB3 ALA 25 HB3 ALA 25 4.384 2.857 -7.270 190 HA PRO 26 HA PRO 26 8.889 5.291 -7.581 191 HB2 PRO 26 HB2 PRO 26 11.101 5.375 -5.887 192 HB3 PRO 26 HB3 PRO 26 9.792 6.595 -5.976 193 HG2 PRO 26 HG2 PRO 26 10.199 4.395 -3.977 194 HG3 PRO 26 HG3 PRO 26 9.508 6.016 -3.731 195 HD2 PRO 26 HD2 PRO 26 7.986 3.688 -3.981 196 HD3 PRO 26 HD3 PRO 26 7.416 5.328 -4.411 197 H TYR 27 H TYR 27 9.345 2.128 -6.210 198 HA TYR 27 HA TYR 27 11.469 1.508 -8.214 199 HB2 TYR 27 HB2 TYR 27 11.302 0.621 -5.311 200 HB3 TYR 27 HB3 TYR 27 12.510 0.088 -6.470 201 HD1 TYR 27 HD1 TYR 27 11.390 2.637 -4.186 202 HD2 TYR 27 HD2 TYR 27 14.329 1.722 -7.180 203 HE1 TYR 27 HE1 TYR 27 12.763 4.513 -3.362 204 HE2 TYR 27 HE2 TYR 27 15.708 3.630 -6.408 205 HH TYR 27 HH TYR 27 15.525 5.650 -5.220 206 H ALA 28 H ALA 28 8.690 0.377 -6.354 207 HA ALA 28 HA ALA 28 8.445 -2.214 -7.818 208 HB1 ALA 28 HB1 ALA 28 7.713 -1.818 -5.391 209 HB2 ALA 28 HB2 ALA 28 6.439 -0.776 -6.052 210 HB3 ALA 28 HB3 ALA 28 6.517 -2.505 -6.489 211 H VAL 29 H VAL 29 7.328 -2.474 -9.675 212 HA VAL 29 HA VAL 29 5.590 -0.202 -10.372 213 HB VAL 29 HB VAL 29 7.327 -1.455 -12.537 214 HG11 VAL 29 HG11 VAL 29 6.846 0.629 -13.713 215 HG12 VAL 29 HG12 VAL 29 5.320 -0.016 -13.109 216 HG13 VAL 29 HG13 VAL 29 6.093 1.337 -12.266 217 HG21 VAL 29 HG21 VAL 29 8.892 0.457 -12.415 218 HG22 VAL 29 HG22 VAL 29 8.143 0.973 -10.888 219 HG23 VAL 29 HG23 VAL 29 9.004 -0.579 -10.999 220 H LEU 30 H LEU 30 4.174 -1.149 -9.645 221 HA LEU 30 HA LEU 30 2.926 -3.517 -10.843 222 HB2 LEU 30 HB2 LEU 30 1.743 -1.743 -8.698 223 HB3 LEU 30 HB3 LEU 30 1.561 -3.457 -8.972 224 HG LEU 30 HG LEU 30 2.784 -3.364 -7.090 225 HD11 LEU 30 HD11 LEU 30 5.222 -3.500 -8.842 226 HD12 LEU 30 HD12 LEU 30 4.010 -4.782 -8.789 227 HD13 LEU 30 HD13 LEU 30 4.887 -4.335 -7.332 228 HD21 LEU 30 HD21 LEU 30 4.355 -1.957 -6.272 229 HD22 LEU 30 HD22 LEU 30 3.099 -0.966 -7.013 230 HD23 LEU 30 HD23 LEU 30 4.628 -1.179 -7.864 231 H SER 31 H SER 31 0.531 -3.471 -11.344 232 HA SER 31 HA SER 31 -0.877 -0.961 -11.326 233 HB2 SER 31 HB2 SER 31 -1.643 -1.200 -13.743 234 HB3 SER 31 HB3 SER 31 -0.034 -0.533 -13.466 235 HG SER 31 HG SER 31 0.120 -1.977 -15.087 236 H SER 32 H SER 32 -2.927 -1.408 -10.790 237 HA SER 32 HA SER 32 -4.452 -2.445 -9.653 238 HB2 SER 32 HB2 SER 32 -4.699 -3.976 -12.251 239 HB3 SER 32 HB3 SER 32 -5.996 -3.719 -11.067 240 HG SER 32 HG SER 32 -5.732 -1.440 -11.427 241 H SER 33 H SER 33 -2.945 -5.305 -11.288 242 HA SER 33 HA SER 33 -4.109 -7.316 -9.867 243 HB2 SER 33 HB2 SER 33 -1.225 -7.256 -10.841 244 HB3 SER 33 HB3 SER 33 -2.306 -8.651 -10.765 245 HG SER 33 HG SER 33 -1.951 -6.936 -12.761 246 H ASN 34 H ASN 34 -1.360 -5.391 -8.886 247 HA ASN 34 HA ASN 34 -0.562 -7.102 -6.611 248 HB2 ASN 34 HB2 ASN 34 0.245 -4.321 -7.546 249 HB3 ASN 34 HB3 ASN 34 0.802 -4.987 -6.048 250 HD21 ASN 34 HD21 ASN 34 0.878 -5.694 -9.488 251 HD22 ASN 34 HD22 ASN 34 2.400 -6.528 -9.470 252 H VAL 35 H VAL 35 -2.928 -4.591 -7.166 253 HA VAL 35 HA VAL 35 -2.895 -3.547 -4.439 254 HB VAL 35 HB VAL 35 -4.834 -2.978 -6.713 255 HG11 VAL 35 HG11 VAL 35 -5.550 -1.132 -5.426 256 HG12 VAL 35 HG12 VAL 35 -5.549 -2.463 -4.315 257 HG13 VAL 35 HG13 VAL 35 -4.213 -1.293 -4.257 258 HG21 VAL 35 HG21 VAL 35 -2.550 -2.324 -7.421 259 HG22 VAL 35 HG22 VAL 35 -3.578 -0.926 -7.150 260 HG23 VAL 35 HG23 VAL 35 -2.371 -1.371 -5.933 261 H ARG 36 H ARG 36 -3.671 -4.949 -2.954 262 HA ARG 36 HA ARG 36 -6.508 -5.631 -3.429 263 HB2 ARG 36 HB2 ARG 36 -4.853 -7.706 -3.460 264 HB3 ARG 36 HB3 ARG 36 -4.834 -7.483 -1.716 265 HG2 ARG 36 HG2 ARG 36 -6.560 -9.060 -2.157 266 HG3 ARG 36 HG3 ARG 36 -7.392 -7.537 -1.797 267 HD2 ARG 36 HD2 ARG 36 -7.696 -7.138 -4.249 268 HD3 ARG 36 HD3 ARG 36 -6.713 -8.570 -4.601 269 HE ARG 36 HE ARG 36 -8.935 -9.375 -3.048 270 HH11 ARG 36 HH11 ARG 36 -8.206 -8.089 -6.296 271 HH12 ARG 36 HH12 ARG 36 -9.498 -8.907 -7.070 272 HH21 ARG 36 HH21 ARG 36 -10.510 -10.706 -4.155 273 HH22 ARG 36 HH22 ARG 36 -10.841 -10.410 -5.821 274 H VAL 37 H VAL 37 -7.424 -3.991 -2.273 275 HA VAL 37 HA VAL 37 -6.326 -3.270 0.335 276 HB VAL 37 HB VAL 37 -8.943 -2.231 -0.656 277 HG11 VAL 37 HG11 VAL 37 -6.575 -1.093 0.892 278 HG12 VAL 37 HG12 VAL 37 -7.915 -0.126 0.386 279 HG13 VAL 37 HG13 VAL 37 -8.182 -1.463 1.538 280 HG21 VAL 37 HG21 VAL 37 -7.692 -1.935 -2.673 281 HG22 VAL 37 HG22 VAL 37 -7.716 -0.380 -1.828 282 HG23 VAL 37 HG23 VAL 37 -6.260 -1.411 -1.780 283 H ILE 38 H ILE 38 -7.126 -5.976 0.010 284 HA ILE 38 HA ILE 38 -8.522 -7.656 0.598 285 HB ILE 38 HB ILE 38 -8.574 -6.040 3.165 286 HG12 ILE 38 HG12 ILE 38 -6.298 -5.910 2.523 287 HG13 ILE 38 HG13 ILE 38 -6.415 -7.143 3.752 288 HG21 ILE 38 HG21 ILE 38 -8.582 -9.042 2.649 289 HG22 ILE 38 HG22 ILE 38 -8.350 -8.299 4.244 290 HG23 ILE 38 HG23 ILE 38 -9.868 -8.076 3.393 291 HD11 ILE 38 HD11 ILE 38 -4.893 -7.886 2.037 292 HD12 ILE 38 HD12 ILE 38 -6.342 -8.904 1.972 293 HD13 ILE 38 HD13 ILE 38 -6.081 -7.630 0.758 294 H LYS 39 H LYS 39 -9.853 -5.692 -0.914 295 HA LYS 39 HA LYS 39 -11.954 -4.458 0.371 296 HB2 LYS 39 HB2 LYS 39 -12.832 -3.879 -1.868 297 HB3 LYS 39 HB3 LYS 39 -11.118 -3.577 -1.674 298 HG2 LYS 39 HG2 LYS 39 -11.101 -4.467 -3.755 299 HG3 LYS 39 HG3 LYS 39 -10.985 -5.957 -2.828 300 HD2 LYS 39 HD2 LYS 39 -13.455 -6.271 -3.070 301 HD3 LYS 39 HD3 LYS 39 -13.519 -4.783 -4.050 302 HE2 LYS 39 HE2 LYS 39 -11.929 -5.803 -5.672 303 HE3 LYS 39 HE3 LYS 39 -11.866 -7.275 -4.683 304 HZ1 LYS 39 HZ1 LYS 39 -14.266 -7.505 -5.079 305 HZ2 LYS 39 HZ2 LYS 39 -13.379 -7.581 -6.463 306 HZ3 LYS 39 HZ3 LYS 39 -14.237 -6.225 -6.107 307 H ASP 40 H ASP 40 -14.147 -4.656 0.446 308 HA ASP 40 HA ASP 40 -14.854 -7.271 1.245 309 HB2 ASP 40 HB2 ASP 40 -15.743 -4.802 1.952 310 HB3 ASP 40 HB3 ASP 40 -17.095 -5.324 0.914 311 H LYS 41 H LYS 41 -17.338 -7.930 0.698 312 HA LYS 41 HA LYS 41 -17.654 -8.242 -2.246 313 HB2 LYS 41 HB2 LYS 41 -18.765 -10.332 -1.775 314 HB3 LYS 41 HB3 LYS 41 -17.101 -10.339 -1.188 315 HG2 LYS 41 HG2 LYS 41 -18.374 -9.683 1.142 316 HG3 LYS 41 HG3 LYS 41 -19.748 -10.340 0.255 317 HD2 LYS 41 HD2 LYS 41 -18.778 -12.053 1.650 318 HD3 LYS 41 HD3 LYS 41 -18.512 -12.486 -0.048 319 HE2 LYS 41 HE2 LYS 41 -16.195 -11.608 0.068 320 HE3 LYS 41 HE3 LYS 41 -16.476 -11.034 1.719 321 HZ1 LYS 41 HZ1 LYS 41 -16.695 -13.276 2.429 322 HZ2 LYS 41 HZ2 LYS 41 -15.263 -13.087 1.660 323 HZ3 LYS 41 HZ3 LYS 41 -16.465 -13.866 0.878 324 H GLN 42 H GLN 42 -19.305 -7.907 0.885 325 HA GLN 42 HA GLN 42 -21.923 -7.810 -0.307 326 HB2 GLN 42 HB2 GLN 42 -22.635 -6.884 1.960 327 HB3 GLN 42 HB3 GLN 42 -21.954 -8.503 1.904 328 HG2 GLN 42 HG2 GLN 42 -19.889 -6.468 2.422 329 HG3 GLN 42 HG3 GLN 42 -21.227 -6.291 3.509 330 HE21 GLN 42 HE21 GLN 42 -20.665 -7.171 5.312 331 HE22 GLN 42 HE22 GLN 42 -20.018 -8.782 5.636 332 H THR 43 H THR 43 -19.570 -5.396 0.253 333 HA THR 43 HA THR 43 -21.339 -3.312 -0.881 334 HB THR 43 HB THR 43 -21.350 -3.122 1.548 335 HG1 THR 43 HG1 THR 43 -21.373 -1.102 1.289 336 HG21 THR 43 HG21 THR 43 -19.245 -4.185 2.140 337 HG22 THR 43 HG22 THR 43 -19.396 -2.579 2.839 338 HG23 THR 43 HG23 THR 43 -18.338 -2.831 1.430 339 H GLN 44 H GLN 44 -18.348 -4.954 -1.037 340 HA GLN 44 HA GLN 44 -16.533 -4.828 -2.339 341 HB2 GLN 44 HB2 GLN 44 -18.131 -2.914 -4.018 342 HB3 GLN 44 HB3 GLN 44 -16.713 -3.806 -4.517 343 HG2 GLN 44 HG2 GLN 44 -19.314 -5.138 -3.667 344 HG3 GLN 44 HG3 GLN 44 -18.920 -4.691 -5.315 345 HE21 GLN 44 HE21 GLN 44 -19.480 -7.359 -4.266 346 HE22 GLN 44 HE22 GLN 44 -18.134 -8.370 -4.636 347 H LEU 45 H LEU 45 -16.343 -3.132 -0.030 348 HA LEU 45 HA LEU 45 -14.952 -0.692 -1.063 349 HB2 LEU 45 HB2 LEU 45 -16.117 -1.264 1.680 350 HB3 LEU 45 HB3 LEU 45 -15.403 0.254 1.168 351 HG LEU 45 HG LEU 45 -17.889 -0.943 -0.102 352 HD11 LEU 45 HD11 LEU 45 -17.626 1.150 2.074 353 HD12 LEU 45 HD12 LEU 45 -18.378 -0.467 2.177 354 HD13 LEU 45 HD13 LEU 45 -19.125 0.770 1.181 355 HD21 LEU 45 HD21 LEU 45 -18.195 1.217 -1.141 356 HD22 LEU 45 HD22 LEU 45 -16.617 0.610 -1.559 357 HD23 LEU 45 HD23 LEU 45 -16.734 1.872 -0.323 358 H ASN 46 H ASN 46 -13.099 0.029 -0.125 359 HA ASN 46 HA ASN 46 -11.038 -1.798 0.501 360 HB2 ASN 46 HB2 ASN 46 -11.190 1.169 1.125 361 HB3 ASN 46 HB3 ASN 46 -9.768 0.244 1.253 362 HD21 ASN 46 HD21 ASN 46 -9.902 2.574 -0.509 363 HD22 ASN 46 HD22 ASN 46 -9.697 1.978 -2.123 364 H ARG 47 H ARG 47 -10.381 -2.779 2.367 365 HA ARG 47 HA ARG 47 -11.805 -2.470 4.844 366 HB2 ARG 47 HB2 ARG 47 -9.212 -3.879 4.118 367 HB3 ARG 47 HB3 ARG 47 -9.825 -3.889 5.767 368 HG2 ARG 47 HG2 ARG 47 -11.499 -4.849 3.431 369 HG3 ARG 47 HG3 ARG 47 -10.412 -5.912 4.320 370 HD2 ARG 47 HD2 ARG 47 -12.644 -4.371 5.652 371 HD3 ARG 47 HD3 ARG 47 -12.821 -6.003 4.988 372 HE ARG 47 HE ARG 47 -10.624 -6.109 6.744 373 HH11 ARG 47 HH11 ARG 47 -14.176 -5.725 6.829 374 HH12 ARG 47 HH12 ARG 47 -14.293 -6.254 8.484 375 HH21 ARG 47 HH21 ARG 47 -10.868 -6.765 9.041 376 HH22 ARG 47 HH22 ARG 47 -12.470 -6.766 9.683 377 H GLY 48 H GLY 48 -9.229 -0.490 3.644 378 HA2 GLY 48 HA2 GLY 48 -8.754 1.511 5.037 379 HA3 GLY 48 HA3 GLY 48 -8.637 0.463 6.435 380 H PHE 49 H PHE 49 -7.220 -1.539 4.300 381 HA PHE 49 HA PHE 49 -4.630 -0.191 4.197 382 HB2 PHE 49 HB2 PHE 49 -3.712 -2.431 5.140 383 HB3 PHE 49 HB3 PHE 49 -4.246 -1.166 6.231 384 HD1 PHE 49 HD1 PHE 49 -5.345 -4.353 4.615 385 HD2 PHE 49 HD2 PHE 49 -5.952 -1.590 7.860 386 HE1 PHE 49 HE1 PHE 49 -6.881 -5.977 5.711 387 HE2 PHE 49 HE2 PHE 49 -7.473 -3.212 8.943 388 HZ PHE 49 HZ PHE 49 -7.942 -5.398 7.885 389 H ALA 50 H ALA 50 -3.312 -0.963 2.494 390 HA ALA 50 HA ALA 50 -4.474 -3.129 0.813 391 HB1 ALA 50 HB1 ALA 50 -3.735 -1.976 -1.176 392 HB2 ALA 50 HB2 ALA 50 -4.703 -0.833 -0.229 393 HB3 ALA 50 HB3 ALA 50 -2.943 -0.720 -0.225 394 H PHE 51 H PHE 51 -3.270 -4.723 0.118 395 HA PHE 51 HA PHE 51 -0.530 -4.864 1.211 396 HB2 PHE 51 HB2 PHE 51 -2.614 -6.898 0.413 397 HB3 PHE 51 HB3 PHE 51 -0.922 -7.340 0.580 398 HD1 PHE 51 HD1 PHE 51 -0.248 -8.235 2.619 399 HD2 PHE 51 HD2 PHE 51 -3.460 -5.356 2.591 400 HE1 PHE 51 HE1 PHE 51 -0.397 -8.392 5.055 401 HE2 PHE 51 HE2 PHE 51 -3.586 -5.539 5.086 402 HZ PHE 51 HZ PHE 51 -2.071 -7.051 6.302 403 H ILE 52 H ILE 52 0.190 -3.361 -0.449 404 HA ILE 52 HA ILE 52 0.401 -4.258 -3.247 405 HB ILE 52 HB ILE 52 2.021 -2.150 -1.746 406 HG12 ILE 52 HG12 ILE 52 -0.328 -1.486 -1.654 407 HG13 ILE 52 HG13 ILE 52 0.601 -0.436 -2.717 408 HG21 ILE 52 HG21 ILE 52 3.190 -2.699 -3.767 409 HG22 ILE 52 HG22 ILE 52 1.706 -2.671 -4.740 410 HG23 ILE 52 HG23 ILE 52 2.385 -1.179 -4.054 411 HD11 ILE 52 HD11 ILE 52 -1.636 -0.971 -3.615 412 HD12 ILE 52 HD12 ILE 52 -0.347 -1.538 -4.693 413 HD13 ILE 52 HD13 ILE 52 -1.198 -2.690 -3.640 414 H GLN 53 H GLN 53 2.502 -5.050 -4.202 415 HA GLN 53 HA GLN 53 4.280 -6.310 -2.241 416 HB2 GLN 53 HB2 GLN 53 2.698 -7.825 -3.294 417 HB3 GLN 53 HB3 GLN 53 3.125 -7.282 -4.888 418 HG2 GLN 53 HG2 GLN 53 5.132 -8.432 -4.930 419 HG3 GLN 53 HG3 GLN 53 5.302 -8.352 -3.156 420 HE21 GLN 53 HE21 GLN 53 4.168 -9.815 -1.837 421 HE22 GLN 53 HE22 GLN 53 3.325 -11.212 -2.463 422 H LEU 54 H LEU 54 6.356 -6.559 -3.004 423 HA LEU 54 HA LEU 54 7.372 -4.506 -4.914 424 HB2 LEU 54 HB2 LEU 54 8.390 -5.579 -2.306 425 HB3 LEU 54 HB3 LEU 54 9.601 -5.242 -3.527 426 HG LEU 54 HG LEU 54 8.381 -3.207 -3.920 427 HD11 LEU 54 HD11 LEU 54 6.461 -3.014 -2.812 428 HD12 LEU 54 HD12 LEU 54 7.491 -1.820 -2.026 429 HD13 LEU 54 HD13 LEU 54 7.232 -3.404 -1.240 430 HD21 LEU 54 HD21 LEU 54 9.466 -1.671 -3.741 431 HD22 LEU 54 HD22 LEU 54 10.439 -3.081 -3.809 432 HD23 LEU 54 HD23 LEU 54 10.214 -2.185 -2.246 433 H SER 55 H SER 55 9.211 -4.946 -6.066 434 HA SER 55 HA SER 55 9.156 -7.246 -7.681 435 HB2 SER 55 HB2 SER 55 11.311 -5.194 -7.083 436 HB3 SER 55 HB3 SER 55 11.332 -6.312 -8.441 437 HG SER 55 HG SER 55 8.935 -5.308 -8.534 438 H THR 56 H THR 56 11.011 -6.695 -4.732 439 HA THR 56 HA THR 56 11.302 -9.612 -4.515 440 HB THR 56 HB THR 56 13.619 -9.382 -3.671 441 HG1 THR 56 HG1 THR 56 14.661 -7.290 -4.334 442 HG21 THR 56 HG21 THR 56 13.506 -8.201 -6.465 443 HG22 THR 56 HG22 THR 56 13.193 -9.915 -6.099 444 HG23 THR 56 HG23 THR 56 14.756 -9.207 -5.724 445 H ILE 57 H ILE 57 11.857 -10.247 -2.248 446 HA ILE 57 HA ILE 57 10.538 -8.772 -0.183 447 HB ILE 57 HB ILE 57 11.641 -10.329 1.333 448 HG12 ILE 57 HG12 ILE 57 12.794 -12.382 0.009 449 HG13 ILE 57 HG13 ILE 57 13.336 -11.070 -1.026 450 HG21 ILE 57 HG21 ILE 57 9.521 -10.970 0.322 451 HG22 ILE 57 HG22 ILE 57 10.376 -11.662 -1.082 452 HG23 ILE 57 HG23 ILE 57 10.517 -12.392 0.529 453 HD11 ILE 57 HD11 ILE 57 13.755 -11.323 1.987 454 HD12 ILE 57 HD12 ILE 57 14.977 -11.548 0.726 455 HD13 ILE 57 HD13 ILE 57 14.317 -9.939 1.022 456 H VAL 58 H VAL 58 13.613 -8.550 -1.578 457 HA VAL 58 HA VAL 58 14.954 -7.210 0.588 458 HB VAL 58 HB VAL 58 15.718 -6.729 -2.299 459 HG11 VAL 58 HG11 VAL 58 17.009 -5.588 -0.574 460 HG12 VAL 58 HG12 VAL 58 17.278 -7.115 0.299 461 HG13 VAL 58 HG13 VAL 58 18.002 -6.861 -1.303 462 HG21 VAL 58 HG21 VAL 58 17.019 -8.740 -2.393 463 HG22 VAL 58 HG22 VAL 58 16.413 -9.274 -0.786 464 HG23 VAL 58 HG23 VAL 58 15.337 -9.179 -2.205 465 H GLU 59 H GLU 59 13.718 -5.860 -2.566 466 HA GLU 59 HA GLU 59 14.305 -3.236 -1.866 467 HB2 GLU 59 HB2 GLU 59 12.147 -4.325 -3.712 468 HB3 GLU 59 HB3 GLU 59 12.535 -2.609 -3.574 469 HG2 GLU 59 HG2 GLU 59 14.223 -4.779 -4.707 470 HG3 GLU 59 HG3 GLU 59 13.466 -3.387 -5.502 471 H ALA 60 H ALA 60 10.945 -4.584 -1.710 472 HA ALA 60 HA ALA 60 9.379 -2.988 -0.532 473 HB1 ALA 60 HB1 ALA 60 8.414 -4.945 -0.283 474 HB2 ALA 60 HB2 ALA 60 9.959 -5.821 -0.064 475 HB3 ALA 60 HB3 ALA 60 9.157 -5.028 1.274 476 H ALA 61 H ALA 61 11.982 -4.586 1.424 477 HA ALA 61 HA ALA 61 11.223 -3.384 3.931 478 HB1 ALA 61 HB1 ALA 61 13.111 -4.588 4.816 479 HB2 ALA 61 HB2 ALA 61 12.298 -5.645 3.657 480 HB3 ALA 61 HB3 ALA 61 13.811 -4.833 3.216 481 H GLN 62 H GLN 62 13.680 -2.563 1.473 482 HA GLN 62 HA GLN 62 15.022 -0.526 3.114 483 HB2 GLN 62 HB2 GLN 62 15.044 -1.344 0.176 484 HB3 GLN 62 HB3 GLN 62 15.680 0.220 0.656 485 HG2 GLN 62 HG2 GLN 62 17.386 -1.571 0.439 486 HG3 GLN 62 HG3 GLN 62 17.409 -0.715 1.979 487 HE21 GLN 62 HE21 GLN 62 15.740 -3.572 0.536 488 HE22 GLN 62 HE22 GLN 62 15.833 -4.540 1.942 489 H LEU 63 H LEU 63 12.639 -0.693 0.472 490 HA LEU 63 HA LEU 63 12.128 2.083 0.207 491 HB2 LEU 63 HB2 LEU 63 10.511 -0.393 -0.410 492 HB3 LEU 63 HB3 LEU 63 9.709 1.171 -0.370 493 HG LEU 63 HG LEU 63 11.341 2.089 -1.986 494 HD11 LEU 63 HD11 LEU 63 13.112 0.370 -1.748 495 HD12 LEU 63 HD12 LEU 63 12.576 0.506 -3.414 496 HD13 LEU 63 HD13 LEU 63 12.009 -0.834 -2.423 497 HD21 LEU 63 HD21 LEU 63 10.027 0.478 -3.793 498 HD22 LEU 63 HD22 LEU 63 9.232 1.765 -2.878 499 HD23 LEU 63 HD23 LEU 63 9.131 0.099 -2.351 500 H LEU 64 H LEU 64 10.727 -0.272 2.482 501 HA LEU 64 HA LEU 64 8.664 1.163 3.554 502 HB2 LEU 64 HB2 LEU 64 9.355 -1.168 4.065 503 HB3 LEU 64 HB3 LEU 64 10.676 -0.567 5.064 504 HG LEU 64 HG LEU 64 8.862 -1.437 6.358 505 HD11 LEU 64 HD11 LEU 64 8.590 0.143 7.998 506 HD12 LEU 64 HD12 LEU 64 8.531 1.505 6.883 507 HD13 LEU 64 HD13 LEU 64 10.075 0.682 7.193 508 HD21 LEU 64 HD21 LEU 64 6.613 -0.402 6.383 509 HD22 LEU 64 HD22 LEU 64 7.019 -1.090 4.800 510 HD23 LEU 64 HD23 LEU 64 7.109 0.679 5.076 511 H GLN 65 H GLN 65 12.159 1.622 4.249 512 HA GLN 65 HA GLN 65 11.482 3.853 6.085 513 HB2 GLN 65 HB2 GLN 65 13.762 3.892 6.755 514 HB3 GLN 65 HB3 GLN 65 13.052 2.299 6.989 515 HG2 GLN 65 HG2 GLN 65 14.343 1.333 5.231 516 HG3 GLN 65 HG3 GLN 65 14.793 2.912 4.574 517 HE21 GLN 65 HE21 GLN 65 15.747 0.442 6.852 518 HE22 GLN 65 HE22 GLN 65 17.046 1.351 7.581 519 H ILE 66 H ILE 66 12.912 3.338 2.842 520 HA ILE 66 HA ILE 66 13.942 6.023 2.626 521 HB ILE 66 HB ILE 66 13.128 4.114 0.421 522 HG12 ILE 66 HG12 ILE 66 15.911 4.669 1.513 523 HG13 ILE 66 HG13 ILE 66 14.956 3.305 2.034 524 HG21 ILE 66 HG21 ILE 66 14.891 6.596 0.269 525 HG22 ILE 66 HG22 ILE 66 14.568 5.470 -1.069 526 HG23 ILE 66 HG23 ILE 66 13.264 6.445 -0.414 527 HD11 ILE 66 HD11 ILE 66 14.860 2.468 -0.325 528 HD12 ILE 66 HD12 ILE 66 15.992 3.769 -0.783 529 HD13 ILE 66 HD13 ILE 66 16.488 2.534 0.378 530 H LEU 67 H LEU 67 10.790 4.566 1.724 531 HA LEU 67 HA LEU 67 9.728 6.759 0.322 532 HB2 LEU 67 HB2 LEU 67 8.493 4.528 1.982 533 HB3 LEU 67 HB3 LEU 67 7.494 5.737 1.252 534 HG LEU 67 HG LEU 67 8.094 3.357 0.120 535 HD11 LEU 67 HD11 LEU 67 6.338 4.978 -0.531 536 HD12 LEU 67 HD12 LEU 67 7.124 4.224 -1.922 537 HD13 LEU 67 HD13 LEU 67 7.532 5.893 -1.458 538 HD21 LEU 67 HD21 LEU 67 10.472 3.845 -0.419 539 HD22 LEU 67 HD22 LEU 67 9.972 5.263 -1.361 540 HD23 LEU 67 HD23 LEU 67 9.508 3.636 -1.870 541 H GLN 68 H GLN 68 9.353 5.976 3.800 542 HA GLN 68 HA GLN 68 7.967 8.324 4.478 543 HB2 GLN 68 HB2 GLN 68 8.594 7.891 6.798 544 HB3 GLN 68 HB3 GLN 68 7.658 6.621 5.956 545 HG2 GLN 68 HG2 GLN 68 9.700 5.426 5.517 546 HG3 GLN 68 HG3 GLN 68 10.640 6.727 6.257 547 HE21 GLN 68 HE21 GLN 68 8.787 3.853 6.842 548 HE22 GLN 68 HE22 GLN 68 8.872 3.811 8.590 549 H ALA 69 H ALA 69 11.370 7.791 4.142 550 HA ALA 69 HA ALA 69 12.252 10.186 5.515 551 HB1 ALA 69 HB1 ALA 69 13.721 8.200 5.048 552 HB2 ALA 69 HB2 ALA 69 13.707 8.646 3.320 553 HB3 ALA 69 HB3 ALA 69 14.403 9.734 4.520 554 H LEU 70 H LEU 70 10.839 9.587 2.364 555 HA LEU 70 HA LEU 70 11.537 12.299 1.401 556 HB2 LEU 70 HB2 LEU 70 9.941 10.087 0.037 557 HB3 LEU 70 HB3 LEU 70 10.469 11.596 -0.690 558 HG LEU 70 HG LEU 70 12.223 9.303 0.243 559 HD11 LEU 70 HD11 LEU 70 12.813 9.085 -2.132 560 HD12 LEU 70 HD12 LEU 70 11.693 10.395 -2.526 561 HD13 LEU 70 HD13 LEU 70 11.085 8.858 -1.855 562 HD21 LEU 70 HD21 LEU 70 13.457 11.333 0.677 563 HD22 LEU 70 HD22 LEU 70 13.062 11.982 -0.945 564 HD23 LEU 70 HD23 LEU 70 14.132 10.565 -0.753 565 H HIS 71 H HIS 71 9.639 13.461 0.462 566 HA HIS 71 HA HIS 71 7.090 12.995 1.894 567 HB2 HIS 71 HB2 HIS 71 8.608 14.552 3.239 568 HB3 HIS 71 HB3 HIS 71 8.313 15.761 2.005 569 HD1 HIS 71 HD1 HIS 71 7.349 16.479 4.804 570 HD2 HIS 71 HD2 HIS 71 5.042 14.149 2.163 571 HE1 HIS 71 HE1 HIS 71 4.937 16.636 5.611 572 HA PRO 72 HA PRO 72 6.275 14.252 -2.475 573 HB2 PRO 72 HB2 PRO 72 4.510 12.228 -3.065 574 HB3 PRO 72 HB3 PRO 72 6.284 12.038 -3.222 575 HG2 PRO 72 HG2 PRO 72 4.518 11.230 -0.885 576 HG3 PRO 72 HG3 PRO 72 5.731 10.232 -1.749 577 HD2 PRO 72 HD2 PRO 72 6.344 11.519 0.564 578 HD3 PRO 72 HD3 PRO 72 7.534 11.408 -0.757 579 HA PRO 73 HA PRO 73 2.491 16.128 -1.017 580 HB2 PRO 73 HB2 PRO 73 1.256 16.942 -3.279 581 HB3 PRO 73 HB3 PRO 73 2.899 17.507 -2.872 582 HG2 PRO 73 HG2 PRO 73 2.165 15.182 -4.696 583 HG3 PRO 73 HG3 PRO 73 3.221 16.579 -5.073 584 HD2 PRO 73 HD2 PRO 73 4.226 14.215 -4.194 585 HD3 PRO 73 HD3 PRO 73 4.948 15.775 -3.700 586 H LEU 74 H LEU 74 2.059 13.639 -0.322 587 HA LEU 74 HA LEU 74 -0.301 12.575 -1.741 588 HB2 LEU 74 HB2 LEU 74 1.673 11.115 -1.632 589 HB3 LEU 74 HB3 LEU 74 1.660 11.203 0.131 590 HG LEU 74 HG LEU 74 -0.514 10.064 0.232 591 HD11 LEU 74 HD11 LEU 74 -1.470 9.108 -1.937 592 HD12 LEU 74 HD12 LEU 74 -0.469 10.309 -2.780 593 HD13 LEU 74 HD13 LEU 74 -1.717 10.835 -1.646 594 HD21 LEU 74 HD21 LEU 74 1.388 8.612 -1.658 595 HD22 LEU 74 HD22 LEU 74 0.145 7.867 -0.644 596 HD23 LEU 74 HD23 LEU 74 1.534 8.671 0.099 597 H THR 75 H THR 75 -2.100 13.446 -0.840 598 HA THR 75 HA THR 75 -2.826 12.181 1.619 599 HB THR 75 HB THR 75 -3.916 14.810 1.974 600 HG1 THR 75 HG1 THR 75 -1.106 14.979 2.155 601 HG21 THR 75 HG21 THR 75 -3.579 13.143 3.744 602 HG22 THR 75 HG22 THR 75 -2.798 14.690 4.166 603 HG23 THR 75 HG23 THR 75 -1.820 13.329 3.607 604 H ILE 76 H ILE 76 -4.727 11.216 0.940 605 HA ILE 76 HA ILE 76 -6.507 12.864 -0.805 606 HB ILE 76 HB ILE 76 -6.503 9.831 -0.734 607 HG12 ILE 76 HG12 ILE 76 -5.836 10.611 -3.355 608 HG13 ILE 76 HG13 ILE 76 -4.816 11.653 -2.386 609 HG21 ILE 76 HG21 ILE 76 -7.903 11.877 -2.521 610 HG22 ILE 76 HG22 ILE 76 -8.024 10.126 -2.678 611 HG23 ILE 76 HG23 ILE 76 -8.674 10.904 -1.247 612 HD11 ILE 76 HD11 ILE 76 -5.003 8.610 -2.194 613 HD12 ILE 76 HD12 ILE 76 -3.706 9.500 -3.002 614 HD13 ILE 76 HD13 ILE 76 -3.906 9.630 -1.236 615 H ASP 77 H ASP 77 -8.555 13.126 0.026 616 HA ASP 77 HA ASP 77 -10.141 13.316 1.591 617 HB2 ASP 77 HB2 ASP 77 -9.709 10.525 1.111 618 HB3 ASP 77 HB3 ASP 77 -10.131 10.700 2.800 619 H GLY 78 H GLY 78 -7.345 13.931 2.499 620 HA2 GLY 78 HA2 GLY 78 -6.268 14.598 4.404 621 HA3 GLY 78 HA3 GLY 78 -7.794 14.427 5.283 622 H LYS 79 H LYS 79 -6.598 11.620 3.593 623 HA LYS 79 HA LYS 79 -5.722 10.322 6.116 624 HB2 LYS 79 HB2 LYS 79 -6.485 8.926 3.512 625 HB3 LYS 79 HB3 LYS 79 -6.325 8.254 5.120 626 HG2 LYS 79 HG2 LYS 79 -8.451 10.341 4.863 627 HG3 LYS 79 HG3 LYS 79 -8.693 8.914 3.899 628 HD2 LYS 79 HD2 LYS 79 -8.825 7.485 5.747 629 HD3 LYS 79 HD3 LYS 79 -8.084 8.678 6.852 630 HE2 LYS 79 HE2 LYS 79 -9.987 10.095 6.822 631 HE3 LYS 79 HE3 LYS 79 -10.677 9.309 5.395 632 HZ1 LYS 79 HZ1 LYS 79 -11.313 7.476 6.643 633 HZ2 LYS 79 HZ2 LYS 79 -11.709 8.756 7.586 634 HZ3 LYS 79 HZ3 LYS 79 -10.358 7.854 7.932 635 H THR 80 H THR 80 -3.479 10.644 6.233 636 HA THR 80 HA THR 80 -1.841 10.639 3.818 637 HB THR 80 HB THR 80 -0.942 10.159 6.675 638 HG1 THR 80 HG1 THR 80 -0.883 12.221 7.047 639 HG21 THR 80 HG21 THR 80 0.778 9.894 4.967 640 HG22 THR 80 HG22 THR 80 1.100 11.373 5.870 641 HG23 THR 80 HG23 THR 80 0.380 11.467 4.242 642 H ILE 81 H ILE 81 -1.684 8.777 2.735 643 HA ILE 81 HA ILE 81 -2.349 6.185 3.744 644 HB ILE 81 HB ILE 81 -0.624 6.948 1.348 645 HG12 ILE 81 HG12 ILE 81 -2.613 8.111 0.920 646 HG13 ILE 81 HG13 ILE 81 -2.778 6.608 0.033 647 HG21 ILE 81 HG21 ILE 81 -1.397 4.744 0.467 648 HG22 ILE 81 HG22 ILE 81 -0.388 4.613 1.911 649 HG23 ILE 81 HG23 ILE 81 -2.140 4.417 2.048 650 HD11 ILE 81 HD11 ILE 81 -4.146 5.792 2.140 651 HD12 ILE 81 HD12 ILE 81 -4.230 7.502 2.546 652 HD13 ILE 81 HD13 ILE 81 -4.904 6.943 1.011 653 H ASN 82 H ASN 82 -1.167 5.103 5.266 654 HA ASN 82 HA ASN 82 1.534 6.097 5.959 655 HB2 ASN 82 HB2 ASN 82 -0.654 4.777 7.371 656 HB3 ASN 82 HB3 ASN 82 0.852 3.891 7.615 657 HD21 ASN 82 HD21 ASN 82 -0.514 5.177 9.761 658 HD22 ASN 82 HD22 ASN 82 0.513 6.515 10.177 659 H VAL 83 H VAL 83 3.287 4.426 6.334 660 HA VAL 83 HA VAL 83 2.963 2.064 4.566 661 HB VAL 83 HB VAL 83 5.643 3.355 5.078 662 HG11 VAL 83 HG11 VAL 83 6.230 2.207 3.053 663 HG12 VAL 83 HG12 VAL 83 5.273 1.055 4.002 664 HG13 VAL 83 HG13 VAL 83 4.525 1.900 2.643 665 HG21 VAL 83 HG21 VAL 83 5.414 4.540 2.887 666 HG22 VAL 83 HG22 VAL 83 3.668 4.201 2.914 667 HG23 VAL 83 HG23 VAL 83 4.420 5.240 4.153 668 H GLU 84 H GLU 84 2.206 0.761 6.175 669 HA GLU 84 HA GLU 84 4.141 0.022 8.344 670 HB2 GLU 84 HB2 GLU 84 1.255 -0.750 7.837 671 HB3 GLU 84 HB3 GLU 84 2.275 -1.603 8.984 672 HG2 GLU 84 HG2 GLU 84 1.897 1.413 9.199 673 HG3 GLU 84 HG3 GLU 84 0.646 0.326 9.751 674 H PHE 85 H PHE 85 4.576 -2.429 8.325 675 HA PHE 85 HA PHE 85 5.097 -3.261 5.507 676 HB2 PHE 85 HB2 PHE 85 6.995 -2.478 7.191 677 HB3 PHE 85 HB3 PHE 85 6.658 -4.031 7.902 678 HD1 PHE 85 HD1 PHE 85 8.935 -4.640 7.835 679 HD2 PHE 85 HD2 PHE 85 6.675 -3.865 4.288 680 HE1 PHE 85 HE1 PHE 85 10.615 -5.887 6.466 681 HE2 PHE 85 HE2 PHE 85 8.163 -5.321 2.987 682 HZ PHE 85 HZ PHE 85 10.206 -6.255 4.046 683 H ALA 86 H ALA 86 4.611 -5.459 4.957 684 HA ALA 86 HA ALA 86 2.432 -6.376 6.630 685 HB1 ALA 86 HB1 ALA 86 1.886 -7.848 4.790 686 HB2 ALA 86 HB2 ALA 86 2.270 -6.235 4.143 687 HB3 ALA 86 HB3 ALA 86 3.463 -7.564 4.030 688 H LYS 87 H LYS 87 2.858 -7.550 8.398 689 HA LYS 87 HA LYS 87 4.383 -10.040 7.945 690 HB2 LYS 87 HB2 LYS 87 5.425 -7.929 9.432 691 HB3 LYS 87 HB3 LYS 87 4.645 -8.922 10.677 692 HG2 LYS 87 HG2 LYS 87 5.857 -10.902 9.861 693 HG3 LYS 87 HG3 LYS 87 6.595 -9.951 8.561 694 HD2 LYS 87 HD2 LYS 87 7.890 -8.638 10.087 695 HD3 LYS 87 HD3 LYS 87 6.984 -9.255 11.495 696 HE2 LYS 87 HE2 LYS 87 7.737 -11.564 10.900 697 HE3 LYS 87 HE3 LYS 87 8.755 -10.899 9.623 698 HZ1 LYS 87 HZ1 LYS 87 9.824 -11.397 11.769 699 HZ2 LYS 87 HZ2 LYS 87 9.044 -10.154 12.478 700 HZ3 LYS 87 HZ3 LYS 87 10.103 -9.863 11.238 701 H GLY 88 H GLY 88 3.329 -11.777 8.484 702 HA2 GLY 88 HA2 GLY 88 1.158 -11.715 10.518 703 HA3 GLY 88 HA3 GLY 88 1.142 -12.756 9.090 704 H SER 89 H SER 89 4.329 -12.841 9.769 705 HA SER 89 HA SER 89 4.529 -14.256 12.210 706 HB2 SER 89 HB2 SER 89 3.692 -16.113 10.940 707 HB3 SER 89 HB3 SER 89 4.769 -15.779 9.571 708 HG SER 89 HG SER 89 6.469 -16.522 10.700 Start of MODEL 6 1 H1 GLY 1 H GLY 1 10.177 -16.593 3.677 2 HA2 GLY 1 HA2 GLY 1 11.348 -14.738 1.676 3 HA3 GLY 1 HA3 GLY 1 10.262 -16.091 1.300 4 H HIS 2 H HIS 2 9.239 -14.031 0.246 5 HA HIS 2 HA HIS 2 7.520 -12.538 0.098 6 HB2 HIS 2 HB2 HIS 2 6.629 -14.899 0.996 7 HB3 HIS 2 HB3 HIS 2 6.193 -13.923 2.389 8 HD1 HIS 2 HD1 HIS 2 3.902 -15.335 0.824 9 HD2 HIS 2 HD2 HIS 2 5.442 -11.546 -0.198 10 HE1 HIS 2 HE1 HIS 2 2.118 -14.204 -0.530 11 H MET 3 H MET 3 9.574 -12.063 2.445 12 HA MET 3 HA MET 3 8.228 -10.026 4.018 13 HB2 MET 3 HB2 MET 3 10.098 -11.449 4.774 14 HB3 MET 3 HB3 MET 3 11.165 -10.700 3.608 15 HG2 MET 3 HG2 MET 3 10.950 -8.538 4.809 16 HG3 MET 3 HG3 MET 3 9.824 -9.307 5.937 17 HE1 MET 3 HE1 MET 3 12.730 -9.060 8.403 18 HE2 MET 3 HE2 MET 3 11.915 -7.890 7.335 19 HE3 MET 3 HE3 MET 3 10.960 -9.090 8.215 20 H ASP 4 H ASP 4 8.313 -10.031 0.911 21 HA ASP 4 HA ASP 4 9.535 -7.461 0.202 22 HB2 ASP 4 HB2 ASP 4 8.655 -7.887 -2.001 23 HB3 ASP 4 HB3 ASP 4 9.497 -9.322 -1.427 24 H THR 5 H THR 5 6.373 -8.744 1.232 25 HA THR 5 HA THR 5 5.026 -6.623 -0.116 26 HB THR 5 HB THR 5 3.837 -8.506 1.936 27 HG1 THR 5 HG1 THR 5 5.051 -9.008 -0.518 28 HG21 THR 5 HG21 THR 5 1.972 -8.636 0.348 29 HG22 THR 5 HG22 THR 5 2.797 -7.565 -0.783 30 HG23 THR 5 HG23 THR 5 2.233 -6.935 0.787 31 H ILE 6 H ILE 6 3.643 -4.968 0.761 32 HA ILE 6 HA ILE 6 4.296 -3.973 3.502 33 HB ILE 6 HB ILE 6 3.929 -2.395 0.941 34 HG12 ILE 6 HG12 ILE 6 6.098 -3.699 1.073 35 HG13 ILE 6 HG13 ILE 6 6.224 -1.982 0.817 36 HG21 ILE 6 HG21 ILE 6 3.271 -1.036 2.892 37 HG22 ILE 6 HG22 ILE 6 4.806 -1.415 3.690 38 HG23 ILE 6 HG23 ILE 6 4.793 -0.453 2.202 39 HD11 ILE 6 HD11 ILE 6 6.986 -1.592 3.052 40 HD12 ILE 6 HD12 ILE 6 6.610 -3.272 3.526 41 HD13 ILE 6 HD13 ILE 6 7.920 -2.908 2.378 42 H ILE 7 H ILE 7 2.572 -2.727 4.412 43 HA ILE 7 HA ILE 7 -0.120 -3.070 3.216 44 HB ILE 7 HB ILE 7 0.388 -2.916 6.193 45 HG12 ILE 7 HG12 ILE 7 -0.642 -5.205 4.478 46 HG13 ILE 7 HG13 ILE 7 0.885 -5.099 5.322 47 HG21 ILE 7 HG21 ILE 7 -2.135 -3.180 6.303 48 HG22 ILE 7 HG22 ILE 7 -1.599 -1.651 5.641 49 HG23 ILE 7 HG23 ILE 7 -2.177 -2.945 4.544 50 HD11 ILE 7 HD11 ILE 7 -0.517 -6.511 6.624 51 HD12 ILE 7 HD12 ILE 7 -0.321 -4.984 7.510 52 HD13 ILE 7 HD13 ILE 7 -1.829 -5.335 6.632 53 H LEU 8 H LEU 8 -0.660 -1.239 2.339 54 HA LEU 8 HA LEU 8 0.182 1.357 3.460 55 HB2 LEU 8 HB2 LEU 8 -1.864 0.911 1.271 56 HB3 LEU 8 HB3 LEU 8 -1.039 2.381 1.732 57 HG LEU 8 HG LEU 8 -0.089 0.043 0.175 58 HD11 LEU 8 HD11 LEU 8 0.596 1.753 -1.439 59 HD12 LEU 8 HD12 LEU 8 0.219 3.030 -0.273 60 HD13 LEU 8 HD13 LEU 8 -1.082 2.004 -0.924 61 HD21 LEU 8 HD21 LEU 8 1.818 1.931 1.603 62 HD22 LEU 8 HD22 LEU 8 2.270 1.009 0.151 63 HD23 LEU 8 HD23 LEU 8 1.804 0.141 1.590 64 H ARG 9 H ARG 9 -0.799 1.492 5.560 65 HA ARG 9 HA ARG 9 -3.545 0.663 5.973 66 HB2 ARG 9 HB2 ARG 9 -1.380 1.117 7.706 67 HB3 ARG 9 HB3 ARG 9 -2.386 2.563 7.920 68 HG2 ARG 9 HG2 ARG 9 -4.368 0.883 8.121 69 HG3 ARG 9 HG3 ARG 9 -3.061 -0.288 8.363 70 HD2 ARG 9 HD2 ARG 9 -2.489 0.660 10.469 71 HD3 ARG 9 HD3 ARG 9 -3.031 2.275 9.963 72 HE ARG 9 HE ARG 9 -5.237 0.423 10.157 73 HH11 ARG 9 HH11 ARG 9 -3.187 2.607 12.093 74 HH12 ARG 9 HH12 ARG 9 -4.511 3.186 13.043 75 HH21 ARG 9 HH21 ARG 9 -6.981 1.184 11.528 76 HH22 ARG 9 HH22 ARG 9 -6.711 2.560 12.538 77 H ASN 10 H ASN 10 -4.985 2.483 7.129 78 HA ASN 10 HA ASN 10 -6.066 4.425 7.190 79 HB2 ASN 10 HB2 ASN 10 -3.410 5.426 6.374 80 HB3 ASN 10 HB3 ASN 10 -4.741 6.426 5.797 81 HD21 ASN 10 HD21 ASN 10 -2.595 6.659 7.947 82 HD22 ASN 10 HD22 ASN 10 -3.484 7.232 9.325 83 H LEU 11 H LEU 11 -5.245 2.895 4.386 84 HA LEU 11 HA LEU 11 -5.988 4.234 2.237 85 HB2 LEU 11 HB2 LEU 11 -5.318 1.652 2.908 86 HB3 LEU 11 HB3 LEU 11 -6.967 1.404 2.422 87 HG LEU 11 HG LEU 11 -5.387 1.001 0.623 88 HD11 LEU 11 HD11 LEU 11 -6.561 2.125 -1.134 89 HD12 LEU 11 HD12 LEU 11 -7.049 3.446 -0.040 90 HD13 LEU 11 HD13 LEU 11 -7.713 1.822 0.182 91 HD21 LEU 11 HD21 LEU 11 -4.661 3.898 0.395 92 HD22 LEU 11 HD22 LEU 11 -3.888 2.457 -0.297 93 HD23 LEU 11 HD23 LEU 11 -3.732 2.785 1.426 94 H ASN 12 H ASN 12 -7.622 5.641 2.173 95 HA ASN 12 HA ASN 12 -10.033 5.497 3.417 96 HB2 ASN 12 HB2 ASN 12 -10.840 7.175 1.578 97 HB3 ASN 12 HB3 ASN 12 -9.556 7.593 2.663 98 HD21 ASN 12 HD21 ASN 12 -10.322 8.138 -0.546 99 HD22 ASN 12 HD22 ASN 12 -8.682 7.944 -1.113 100 HA PRO 13 HA PRO 13 -12.472 2.490 1.485 101 HB2 PRO 13 HB2 PRO 13 -15.028 3.542 1.703 102 HB3 PRO 13 HB3 PRO 13 -14.093 2.828 3.055 103 HG2 PRO 13 HG2 PRO 13 -14.375 5.743 2.289 104 HG3 PRO 13 HG3 PRO 13 -14.501 5.014 3.928 105 HD2 PRO 13 HD2 PRO 13 -12.243 6.205 3.130 106 HD3 PRO 13 HD3 PRO 13 -12.161 4.672 4.041 107 H HIS 14 H HIS 14 -12.842 5.774 0.340 108 HA HIS 14 HA HIS 14 -13.957 4.986 -2.258 109 HB2 HIS 14 HB2 HIS 14 -13.323 7.683 -1.000 110 HB3 HIS 14 HB3 HIS 14 -14.026 7.454 -2.599 111 HD1 HIS 14 HD1 HIS 14 -16.444 5.716 -2.387 112 HD2 HIS 14 HD2 HIS 14 -15.082 8.014 0.876 113 HE1 HIS 14 HE1 HIS 14 -18.435 6.000 -0.816 114 H SER 15 H SER 15 -10.667 5.405 -0.994 115 HA SER 15 HA SER 15 -9.546 6.544 -3.317 116 HB2 SER 15 HB2 SER 15 -8.563 5.309 -0.897 117 HB3 SER 15 HB3 SER 15 -7.777 4.540 -2.253 118 HG SER 15 HG SER 15 -7.255 6.700 -3.049 119 H THR 16 H THR 16 -8.255 5.597 -4.844 120 HA THR 16 HA THR 16 -8.920 2.888 -5.771 121 HB THR 16 HB THR 16 -10.166 4.472 -7.076 122 HG1 THR 16 HG1 THR 16 -9.393 2.855 -8.215 123 HG21 THR 16 HG21 THR 16 -8.856 6.530 -6.622 124 HG22 THR 16 HG22 THR 16 -9.230 6.290 -8.313 125 HG23 THR 16 HG23 THR 16 -7.578 5.946 -7.728 126 H MET 17 H MET 17 -7.310 1.659 -5.951 127 HA MET 17 HA MET 17 -4.794 2.119 -4.917 128 HB2 MET 17 HB2 MET 17 -4.157 0.010 -5.946 129 HB3 MET 17 HB3 MET 17 -5.812 -0.110 -5.319 130 HG2 MET 17 HG2 MET 17 -6.572 0.457 -7.730 131 HG3 MET 17 HG3 MET 17 -4.861 0.326 -8.161 132 HE1 MET 17 HE1 MET 17 -7.677 -3.164 -6.963 133 HE2 MET 17 HE2 MET 17 -7.057 -2.048 -5.729 134 HE3 MET 17 HE3 MET 17 -8.124 -1.444 -7.015 135 H ASP 18 H ASP 18 -5.907 2.675 -8.210 136 HA ASP 18 HA ASP 18 -3.607 2.798 -9.754 137 HB2 ASP 18 HB2 ASP 18 -5.768 3.099 -10.781 138 HB3 ASP 18 HB3 ASP 18 -6.170 4.431 -9.694 139 H SER 19 H SER 19 -5.137 5.393 -7.901 140 HA SER 19 HA SER 19 -3.033 7.250 -8.693 141 HB2 SER 19 HB2 SER 19 -5.518 7.536 -6.969 142 HB3 SER 19 HB3 SER 19 -4.506 8.854 -7.550 143 HG SER 19 HG SER 19 -5.212 7.232 -9.646 144 H ILE 20 H ILE 20 -3.913 5.351 -5.915 145 HA ILE 20 HA ILE 20 -2.078 6.581 -3.978 146 HB ILE 20 HB ILE 20 -3.064 3.739 -4.192 147 HG12 ILE 20 HG12 ILE 20 -4.027 5.801 -2.204 148 HG13 ILE 20 HG13 ILE 20 -4.775 5.741 -3.788 149 HG21 ILE 20 HG21 ILE 20 -2.429 3.691 -1.722 150 HG22 ILE 20 HG22 ILE 20 -1.041 3.805 -2.821 151 HG23 ILE 20 HG23 ILE 20 -1.625 5.233 -1.955 152 HD11 ILE 20 HD11 ILE 20 -5.719 4.370 -1.760 153 HD12 ILE 20 HD12 ILE 20 -5.808 3.733 -3.419 154 HD13 ILE 20 HD13 ILE 20 -4.559 3.141 -2.316 155 H LEU 21 H LEU 21 -1.724 3.885 -6.441 156 HA LEU 21 HA LEU 21 1.068 3.506 -5.913 157 HB2 LEU 21 HB2 LEU 21 -0.700 2.936 -8.319 158 HB3 LEU 21 HB3 LEU 21 1.039 2.662 -8.373 159 HG LEU 21 HG LEU 21 -0.939 1.263 -6.522 160 HD11 LEU 21 HD11 LEU 21 0.562 0.486 -9.048 161 HD12 LEU 21 HD12 LEU 21 -1.192 0.468 -8.731 162 HD13 LEU 21 HD13 LEU 21 -0.132 -0.717 -7.956 163 HD21 LEU 21 HD21 LEU 21 1.014 -0.216 -5.993 164 HD22 LEU 21 HD22 LEU 21 1.232 1.418 -5.375 165 HD23 LEU 21 HD23 LEU 21 2.079 0.910 -6.863 166 H GLY 22 H GLY 22 -0.605 5.525 -8.397 167 HA2 GLY 22 HA2 GLY 22 1.730 6.382 -9.684 168 HA3 GLY 22 HA3 GLY 22 0.188 7.248 -9.687 169 H ALA 23 H ALA 23 0.640 7.356 -6.529 170 HA ALA 23 HA ALA 23 2.639 9.570 -6.506 171 HB1 ALA 23 HB1 ALA 23 0.372 10.475 -6.363 172 HB2 ALA 23 HB2 ALA 23 0.003 9.381 -5.000 173 HB3 ALA 23 HB3 ALA 23 1.219 10.672 -4.826 174 H LEU 24 H LEU 24 2.798 6.550 -5.863 175 HA LEU 24 HA LEU 24 4.492 7.002 -3.537 176 HB2 LEU 24 HB2 LEU 24 1.893 6.295 -2.969 177 HB3 LEU 24 HB3 LEU 24 2.597 4.721 -3.060 178 HG LEU 24 HG LEU 24 2.393 5.723 -0.799 179 HD11 LEU 24 HD11 LEU 24 4.473 5.007 0.130 180 HD12 LEU 24 HD12 LEU 24 5.295 5.196 -1.432 181 HD13 LEU 24 HD13 LEU 24 4.055 3.941 -1.223 182 HD21 LEU 24 HD21 LEU 24 3.119 8.097 -1.509 183 HD22 LEU 24 HD22 LEU 24 4.776 7.523 -1.356 184 HD23 LEU 24 HD23 LEU 24 3.646 7.503 0.036 185 H ALA 25 H ALA 25 4.489 5.741 -6.519 186 HA ALA 25 HA ALA 25 6.030 3.307 -5.735 187 HB1 ALA 25 HB1 ALA 25 3.781 2.692 -6.548 188 HB2 ALA 25 HB2 ALA 25 4.101 3.564 -8.061 189 HB3 ALA 25 HB3 ALA 25 5.074 2.146 -7.633 190 HA PRO 26 HA PRO 26 8.730 5.868 -8.517 191 HB2 PRO 26 HB2 PRO 26 10.916 5.930 -6.826 192 HB3 PRO 26 HB3 PRO 26 9.672 7.202 -6.885 193 HG2 PRO 26 HG2 PRO 26 9.897 4.918 -4.940 194 HG3 PRO 26 HG3 PRO 26 9.478 6.622 -4.603 195 HD2 PRO 26 HD2 PRO 26 7.613 4.639 -4.794 196 HD3 PRO 26 HD3 PRO 26 7.282 6.313 -5.341 197 H TYR 27 H TYR 27 9.241 3.069 -6.363 198 HA TYR 27 HA TYR 27 11.093 1.845 -8.404 199 HB2 TYR 27 HB2 TYR 27 11.025 1.351 -5.427 200 HB3 TYR 27 HB3 TYR 27 12.099 0.618 -6.561 201 HD1 TYR 27 HD1 TYR 27 11.440 3.503 -4.489 202 HD2 TYR 27 HD2 TYR 27 14.032 1.875 -7.500 203 HE1 TYR 27 HE1 TYR 27 13.146 5.190 -3.882 204 HE2 TYR 27 HE2 TYR 27 15.795 3.497 -6.851 205 HH TYR 27 HH TYR 27 15.265 6.167 -4.587 206 H ALA 28 H ALA 28 8.219 1.310 -6.445 207 HA ALA 28 HA ALA 28 8.175 -1.570 -6.698 208 HB1 ALA 28 HB1 ALA 28 5.862 0.329 -6.182 209 HB2 ALA 28 HB2 ALA 28 5.913 -1.432 -5.922 210 HB3 ALA 28 HB3 ALA 28 6.931 -0.384 -4.941 211 H VAL 29 H VAL 29 8.099 -2.541 -8.627 212 HA VAL 29 HA VAL 29 7.477 -1.034 -10.983 213 HB VAL 29 HB VAL 29 8.205 -3.982 -10.864 214 HG11 VAL 29 HG11 VAL 29 7.504 -3.104 -13.070 215 HG12 VAL 29 HG12 VAL 29 8.615 -1.745 -12.902 216 HG13 VAL 29 HG13 VAL 29 9.253 -3.390 -13.081 217 HG21 VAL 29 HG21 VAL 29 9.899 -2.923 -9.525 218 HG22 VAL 29 HG22 VAL 29 10.593 -3.181 -11.123 219 HG23 VAL 29 HG23 VAL 29 10.037 -1.570 -10.650 220 H LEU 30 H LEU 30 5.243 -0.759 -10.118 221 HA LEU 30 HA LEU 30 3.354 -2.951 -10.886 222 HB2 LEU 30 HB2 LEU 30 2.686 -0.926 -8.787 223 HB3 LEU 30 HB3 LEU 30 2.041 -2.546 -9.013 224 HG LEU 30 HG LEU 30 4.768 -1.780 -7.922 225 HD11 LEU 30 HD11 LEU 30 3.072 -1.271 -6.357 226 HD12 LEU 30 HD12 LEU 30 3.936 -2.710 -5.817 227 HD13 LEU 30 HD13 LEU 30 2.320 -2.884 -6.539 228 HD21 LEU 30 HD21 LEU 30 3.823 -4.587 -7.552 229 HD22 LEU 30 HD22 LEU 30 5.442 -3.936 -7.630 230 HD23 LEU 30 HD23 LEU 30 4.541 -4.174 -9.125 231 H SER 31 H SER 31 0.990 -1.761 -10.936 232 HA SER 31 HA SER 31 0.986 0.910 -12.075 233 HB2 SER 31 HB2 SER 31 1.505 -0.011 -14.150 234 HB3 SER 31 HB3 SER 31 0.735 -1.551 -13.786 235 HG SER 31 HG SER 31 -0.529 0.859 -14.582 236 H SER 32 H SER 32 -0.857 -2.159 -11.779 237 HA SER 32 HA SER 32 -2.859 -1.002 -9.957 238 HB2 SER 32 HB2 SER 32 -4.542 -1.907 -11.758 239 HB3 SER 32 HB3 SER 32 -3.806 -0.328 -12.042 240 HG SER 32 HG SER 32 -3.306 -1.178 -13.880 241 H SER 33 H SER 33 -2.362 -3.764 -12.161 242 HA SER 33 HA SER 33 -3.813 -5.532 -10.711 243 HB2 SER 33 HB2 SER 33 -1.611 -6.065 -12.732 244 HB3 SER 33 HB3 SER 33 -2.985 -7.114 -12.340 245 HG SER 33 HG SER 33 -3.225 -5.584 -14.231 246 H ASN 34 H ASN 34 -1.520 -4.531 -9.158 247 HA ASN 34 HA ASN 34 -0.524 -7.109 -7.933 248 HB2 ASN 34 HB2 ASN 34 0.658 -4.325 -8.001 249 HB3 ASN 34 HB3 ASN 34 0.807 -5.242 -6.507 250 HD21 ASN 34 HD21 ASN 34 1.902 -5.088 -9.804 251 HD22 ASN 34 HD22 ASN 34 3.047 -6.408 -9.666 252 H VAL 35 H VAL 35 -2.274 -4.007 -7.398 253 HA VAL 35 HA VAL 35 -1.928 -4.252 -4.578 254 HB VAL 35 HB VAL 35 -3.788 -2.400 -6.116 255 HG11 VAL 35 HG11 VAL 35 -2.601 -2.316 -3.302 256 HG12 VAL 35 HG12 VAL 35 -3.437 -0.957 -4.070 257 HG13 VAL 35 HG13 VAL 35 -4.317 -2.437 -3.733 258 HG21 VAL 35 HG21 VAL 35 -1.634 -2.068 -7.027 259 HG22 VAL 35 HG22 VAL 35 -1.867 -0.773 -5.858 260 HG23 VAL 35 HG23 VAL 35 -0.834 -2.163 -5.447 261 H ARG 36 H ARG 36 -2.935 -5.763 -3.373 262 HA ARG 36 HA ARG 36 -5.815 -6.278 -3.905 263 HB2 ARG 36 HB2 ARG 36 -4.229 -8.238 -3.596 264 HB3 ARG 36 HB3 ARG 36 -4.028 -7.730 -1.921 265 HG2 ARG 36 HG2 ARG 36 -5.668 -9.569 -2.228 266 HG3 ARG 36 HG3 ARG 36 -6.401 -8.152 -1.476 267 HD2 ARG 36 HD2 ARG 36 -7.818 -7.764 -3.215 268 HD3 ARG 36 HD3 ARG 36 -6.600 -8.136 -4.426 269 HE ARG 36 HE ARG 36 -8.376 -10.081 -3.058 270 HH11 ARG 36 HH11 ARG 36 -6.315 -9.264 -5.863 271 HH12 ARG 36 HH12 ARG 36 -6.874 -10.584 -6.807 272 HH21 ARG 36 HH21 ARG 36 -9.043 -11.913 -4.346 273 HH22 ARG 36 HH22 ARG 36 -8.375 -12.126 -5.926 274 H VAL 37 H VAL 37 -7.001 -4.779 -3.131 275 HA VAL 37 HA VAL 37 -6.569 -3.540 -0.524 276 HB VAL 37 HB VAL 37 -8.952 -3.407 -2.445 277 HG11 VAL 37 HG11 VAL 37 -10.041 -2.820 -0.534 278 HG12 VAL 37 HG12 VAL 37 -8.564 -2.771 0.416 279 HG13 VAL 37 HG13 VAL 37 -9.057 -1.369 -0.505 280 HG21 VAL 37 HG21 VAL 37 -8.226 -0.908 -2.418 281 HG22 VAL 37 HG22 VAL 37 -6.717 -1.449 -1.724 282 HG23 VAL 37 HG23 VAL 37 -7.176 -2.022 -3.343 283 H ILE 38 H ILE 38 -7.171 -4.589 1.259 284 HA ILE 38 HA ILE 38 -8.914 -6.947 1.081 285 HB ILE 38 HB ILE 38 -8.287 -5.416 3.608 286 HG12 ILE 38 HG12 ILE 38 -6.064 -5.701 2.805 287 HG13 ILE 38 HG13 ILE 38 -6.352 -6.918 4.036 288 HG21 ILE 38 HG21 ILE 38 -8.808 -8.359 3.002 289 HG22 ILE 38 HG22 ILE 38 -8.575 -7.658 4.616 290 HG23 ILE 38 HG23 ILE 38 -9.988 -7.209 3.645 291 HD11 ILE 38 HD11 ILE 38 -6.656 -8.613 2.265 292 HD12 ILE 38 HD12 ILE 38 -6.293 -7.389 1.007 293 HD13 ILE 38 HD13 ILE 38 -5.082 -7.836 2.217 294 H LYS 39 H LYS 39 -10.574 -6.000 -0.109 295 HA LYS 39 HA LYS 39 -12.062 -3.668 1.004 296 HB2 LYS 39 HB2 LYS 39 -13.504 -4.219 -1.144 297 HB3 LYS 39 HB3 LYS 39 -12.085 -3.247 -1.224 298 HG2 LYS 39 HG2 LYS 39 -10.868 -4.889 -2.265 299 HG3 LYS 39 HG3 LYS 39 -11.858 -6.216 -1.614 300 HD2 LYS 39 HD2 LYS 39 -12.306 -6.027 -3.968 301 HD3 LYS 39 HD3 LYS 39 -13.719 -5.524 -3.019 302 HE2 LYS 39 HE2 LYS 39 -13.092 -3.135 -3.397 303 HE3 LYS 39 HE3 LYS 39 -11.715 -3.648 -4.384 304 HZ1 LYS 39 HZ1 LYS 39 -13.217 -4.545 -5.986 305 HZ2 LYS 39 HZ2 LYS 39 -13.829 -3.041 -5.601 306 HZ3 LYS 39 HZ3 LYS 39 -14.498 -4.403 -4.991 307 H ASP 40 H ASP 40 -14.707 -4.129 0.756 308 HA ASP 40 HA ASP 40 -15.182 -6.935 1.589 309 HB2 ASP 40 HB2 ASP 40 -15.287 -4.837 3.441 310 HB3 ASP 40 HB3 ASP 40 -16.948 -5.197 3.045 311 H LYS 41 H LYS 41 -17.944 -6.603 1.949 312 HA LYS 41 HA LYS 41 -18.639 -6.810 -0.924 313 HB2 LYS 41 HB2 LYS 41 -19.697 -8.956 -0.298 314 HB3 LYS 41 HB3 LYS 41 -17.962 -8.957 -0.091 315 HG2 LYS 41 HG2 LYS 41 -18.442 -8.464 2.426 316 HG3 LYS 41 HG3 LYS 41 -20.116 -8.877 2.045 317 HD2 LYS 41 HD2 LYS 41 -19.165 -10.817 2.935 318 HD3 LYS 41 HD3 LYS 41 -19.180 -11.118 1.189 319 HE2 LYS 41 HE2 LYS 41 -16.812 -10.559 1.033 320 HE3 LYS 41 HE3 LYS 41 -16.771 -9.965 2.694 321 HZ1 LYS 41 HZ1 LYS 41 -15.866 -12.248 2.326 322 HZ2 LYS 41 HZ2 LYS 41 -17.389 -12.762 2.018 323 HZ3 LYS 41 HZ3 LYS 41 -16.989 -12.119 3.514 324 H GLN 42 H GLN 42 -19.755 -6.542 2.394 325 HA GLN 42 HA GLN 42 -22.459 -6.016 1.849 326 HB2 GLN 42 HB2 GLN 42 -22.556 -4.833 3.996 327 HB3 GLN 42 HB3 GLN 42 -21.889 -6.466 4.099 328 HG2 GLN 42 HG2 GLN 42 -20.224 -3.935 4.129 329 HG3 GLN 42 HG3 GLN 42 -20.908 -4.658 5.571 330 HE21 GLN 42 HE21 GLN 42 -18.446 -4.482 6.020 331 HE22 GLN 42 HE22 GLN 42 -17.514 -5.937 5.644 332 H THR 43 H THR 43 -19.683 -3.885 1.630 333 HA THR 43 HA THR 43 -21.526 -1.929 0.365 334 HB THR 43 HB THR 43 -21.290 -1.148 2.618 335 HG1 THR 43 HG1 THR 43 -21.397 0.488 1.195 336 HG21 THR 43 HG21 THR 43 -19.186 -2.193 3.258 337 HG22 THR 43 HG22 THR 43 -19.221 -0.462 3.596 338 HG23 THR 43 HG23 THR 43 -18.326 -1.055 2.179 339 H GLN 44 H GLN 44 -18.583 -3.671 0.147 340 HA GLN 44 HA GLN 44 -17.204 -3.980 -1.567 341 HB2 GLN 44 HB2 GLN 44 -18.692 -1.975 -3.216 342 HB3 GLN 44 HB3 GLN 44 -17.608 -3.222 -3.772 343 HG2 GLN 44 HG2 GLN 44 -20.216 -3.828 -2.297 344 HG3 GLN 44 HG3 GLN 44 -20.063 -3.691 -4.048 345 HE21 GLN 44 HE21 GLN 44 -21.085 -5.944 -2.988 346 HE22 GLN 44 HE22 GLN 44 -20.006 -7.314 -3.169 347 H LEU 45 H LEU 45 -16.636 -2.072 0.565 348 HA LEU 45 HA LEU 45 -14.969 -0.001 -0.796 349 HB2 LEU 45 HB2 LEU 45 -16.266 -0.027 1.970 350 HB3 LEU 45 HB3 LEU 45 -15.265 1.262 1.336 351 HG LEU 45 HG LEU 45 -17.929 0.403 0.138 352 HD11 LEU 45 HD11 LEU 45 -18.292 1.433 2.319 353 HD12 LEU 45 HD12 LEU 45 -18.807 2.513 1.043 354 HD13 LEU 45 HD13 LEU 45 -17.267 2.822 1.880 355 HD21 LEU 45 HD21 LEU 45 -17.719 2.468 -1.175 356 HD22 LEU 45 HD22 LEU 45 -16.417 1.317 -1.519 357 HD23 LEU 45 HD23 LEU 45 -16.091 2.745 -0.484 358 H ASN 46 H ASN 46 -13.084 0.686 0.286 359 HA ASN 46 HA ASN 46 -11.383 -1.519 0.966 360 HB2 ASN 46 HB2 ASN 46 -10.705 1.446 1.222 361 HB3 ASN 46 HB3 ASN 46 -9.604 0.114 1.045 362 HD21 ASN 46 HD21 ASN 46 -9.608 2.391 -0.658 363 HD22 ASN 46 HD22 ASN 46 -10.062 1.917 -2.266 364 H ARG 47 H ARG 47 -11.086 -2.351 2.986 365 HA ARG 47 HA ARG 47 -12.268 -1.402 5.414 366 HB2 ARG 47 HB2 ARG 47 -10.044 -3.425 4.930 367 HB3 ARG 47 HB3 ARG 47 -10.914 -3.200 6.439 368 HG2 ARG 47 HG2 ARG 47 -13.042 -3.842 5.305 369 HG3 ARG 47 HG3 ARG 47 -12.135 -4.210 3.835 370 HD2 ARG 47 HD2 ARG 47 -10.706 -5.761 5.268 371 HD3 ARG 47 HD3 ARG 47 -11.845 -5.467 6.590 372 HE ARG 47 HE ARG 47 -13.252 -6.356 4.248 373 HH11 ARG 47 HH11 ARG 47 -11.333 -7.546 6.985 374 HH12 ARG 47 HH12 ARG 47 -11.640 -9.199 6.670 375 HH21 ARG 47 HH21 ARG 47 -14.129 -8.547 4.232 376 HH22 ARG 47 HH22 ARG 47 -13.338 -9.757 5.203 377 H GLY 48 H GLY 48 -9.320 -0.390 3.896 378 HA2 GLY 48 HA2 GLY 48 -8.338 1.677 4.850 379 HA3 GLY 48 HA3 GLY 48 -8.441 0.959 6.423 380 H PHE 49 H PHE 49 -7.444 -1.313 3.967 381 HA PHE 49 HA PHE 49 -4.607 -0.781 4.343 382 HB2 PHE 49 HB2 PHE 49 -4.481 -3.309 5.184 383 HB3 PHE 49 HB3 PHE 49 -4.538 -1.918 6.237 384 HD1 PHE 49 HD1 PHE 49 -6.479 -4.735 4.906 385 HD2 PHE 49 HD2 PHE 49 -6.426 -1.503 7.727 386 HE1 PHE 49 HE1 PHE 49 -8.385 -5.782 6.133 387 HE2 PHE 49 HE2 PHE 49 -8.329 -2.518 8.944 388 HZ PHE 49 HZ PHE 49 -9.312 -4.665 8.153 389 H ALA 50 H ALA 50 -3.599 -1.202 2.487 390 HA ALA 50 HA ALA 50 -4.700 -3.254 0.600 391 HB1 ALA 50 HB1 ALA 50 -3.206 -0.652 -0.026 392 HB2 ALA 50 HB2 ALA 50 -3.590 -1.921 -1.199 393 HB3 ALA 50 HB3 ALA 50 -4.888 -1.005 -0.447 394 H PHE 51 H PHE 51 -3.198 -4.711 -0.226 395 HA PHE 51 HA PHE 51 -0.513 -4.779 0.987 396 HB2 PHE 51 HB2 PHE 51 -2.201 -6.726 -0.612 397 HB3 PHE 51 HB3 PHE 51 -0.464 -6.928 -0.479 398 HD1 PHE 51 HD1 PHE 51 -0.108 -8.821 0.827 399 HD2 PHE 51 HD2 PHE 51 -2.985 -5.897 2.174 400 HE1 PHE 51 HE1 PHE 51 -0.315 -10.007 2.978 401 HE2 PHE 51 HE2 PHE 51 -3.238 -7.142 4.275 402 HZ PHE 51 HZ PHE 51 -1.919 -9.206 4.698 403 H ILE 52 H ILE 52 1.275 -4.170 -0.154 404 HA ILE 52 HA ILE 52 1.125 -3.915 -3.127 405 HB ILE 52 HB ILE 52 2.870 -2.356 -1.177 406 HG12 ILE 52 HG12 ILE 52 0.546 -1.674 -0.879 407 HG13 ILE 52 HG13 ILE 52 1.540 -0.400 -1.575 408 HG21 ILE 52 HG21 ILE 52 2.385 -2.030 -4.158 409 HG22 ILE 52 HG22 ILE 52 3.289 -0.879 -3.162 410 HG23 ILE 52 HG23 ILE 52 3.911 -2.515 -3.371 411 HD11 ILE 52 HD11 ILE 52 -0.282 -2.165 -3.244 412 HD12 ILE 52 HD12 ILE 52 -0.778 -0.614 -2.547 413 HD13 ILE 52 HD13 ILE 52 0.529 -0.660 -3.739 414 H GLN 53 H GLN 53 2.791 -4.985 -4.293 415 HA GLN 53 HA GLN 53 4.511 -6.795 -2.733 416 HB2 GLN 53 HB2 GLN 53 2.737 -7.234 -4.768 417 HB3 GLN 53 HB3 GLN 53 4.158 -6.804 -5.721 418 HG2 GLN 53 HG2 GLN 53 4.264 -9.116 -5.614 419 HG3 GLN 53 HG3 GLN 53 5.376 -8.608 -4.336 420 HE21 GLN 53 HE21 GLN 53 5.106 -9.748 -2.567 421 HE22 GLN 53 HE22 GLN 53 3.683 -10.417 -1.863 422 H LEU 54 H LEU 54 6.770 -6.477 -2.875 423 HA LEU 54 HA LEU 54 7.738 -4.102 -4.392 424 HB2 LEU 54 HB2 LEU 54 8.628 -5.663 -2.005 425 HB3 LEU 54 HB3 LEU 54 9.932 -5.220 -3.035 426 HG LEU 54 HG LEU 54 9.601 -3.648 -1.250 427 HD11 LEU 54 HD11 LEU 54 10.562 -2.992 -3.478 428 HD12 LEU 54 HD12 LEU 54 9.937 -1.693 -2.462 429 HD13 LEU 54 HD13 LEU 54 8.995 -2.249 -3.862 430 HD21 LEU 54 HD21 LEU 54 6.964 -2.845 -2.573 431 HD22 LEU 54 HD22 LEU 54 7.735 -2.060 -1.187 432 HD23 LEU 54 HD23 LEU 54 7.118 -3.715 -1.040 433 H SER 55 H SER 55 10.022 -4.411 -5.395 434 HA SER 55 HA SER 55 10.205 -6.551 -7.271 435 HB2 SER 55 HB2 SER 55 12.275 -4.671 -6.064 436 HB3 SER 55 HB3 SER 55 12.643 -5.880 -7.305 437 HG SER 55 HG SER 55 12.096 -3.699 -8.130 438 H THR 56 H THR 56 11.727 -6.212 -3.943 439 HA THR 56 HA THR 56 12.052 -9.122 -3.880 440 HB THR 56 HB THR 56 14.509 -8.418 -2.962 441 HG1 THR 56 HG1 THR 56 14.100 -6.764 -5.216 442 HG21 THR 56 HG21 THR 56 14.063 -10.235 -4.553 443 HG22 THR 56 HG22 THR 56 15.460 -9.254 -5.039 444 HG23 THR 56 HG23 THR 56 13.908 -9.059 -5.872 445 H ILE 57 H ILE 57 12.687 -9.922 -1.734 446 HA ILE 57 HA ILE 57 11.157 -8.712 0.282 447 HB ILE 57 HB ILE 57 12.069 -10.349 1.771 448 HG12 ILE 57 HG12 ILE 57 13.669 -12.122 0.533 449 HG13 ILE 57 HG13 ILE 57 14.253 -10.659 -0.248 450 HG21 ILE 57 HG21 ILE 57 11.572 -11.655 -0.937 451 HG22 ILE 57 HG22 ILE 57 11.314 -12.369 0.662 452 HG23 ILE 57 HG23 ILE 57 10.298 -11.040 0.132 453 HD11 ILE 57 HD11 ILE 57 14.729 -9.703 2.047 454 HD12 ILE 57 HD12 ILE 57 14.127 -11.209 2.751 455 HD13 ILE 57 HD13 ILE 57 15.586 -11.220 1.744 456 H VAL 58 H VAL 58 14.559 -8.306 -0.469 457 HA VAL 58 HA VAL 58 15.251 -6.938 1.941 458 HB VAL 58 HB VAL 58 16.549 -6.464 -0.773 459 HG11 VAL 58 HG11 VAL 58 18.586 -6.196 0.593 460 HG12 VAL 58 HG12 VAL 58 17.330 -5.115 1.169 461 HG13 VAL 58 HG13 VAL 58 17.660 -6.585 2.070 462 HG21 VAL 58 HG21 VAL 58 18.054 -8.395 -0.296 463 HG22 VAL 58 HG22 VAL 58 17.005 -8.866 1.058 464 HG23 VAL 58 HG23 VAL 58 16.397 -8.898 -0.619 465 H GLU 59 H GLU 59 13.938 -5.844 -1.214 466 HA GLU 59 HA GLU 59 14.358 -3.061 -0.779 467 HB2 GLU 59 HB2 GLU 59 12.486 -4.571 -2.632 468 HB3 GLU 59 HB3 GLU 59 12.684 -2.822 -2.658 469 HG2 GLU 59 HG2 GLU 59 15.029 -4.701 -3.019 470 HG3 GLU 59 HG3 GLU 59 14.005 -4.165 -4.350 471 H ALA 60 H ALA 60 11.880 -5.169 0.476 472 HA ALA 60 HA ALA 60 9.848 -3.238 0.857 473 HB1 ALA 60 HB1 ALA 60 8.985 -4.760 2.533 474 HB2 ALA 60 HB2 ALA 60 9.712 -5.720 1.261 475 HB3 ALA 60 HB3 ALA 60 10.594 -5.488 2.787 476 H ALA 61 H ALA 61 12.619 -4.081 2.997 477 HA ALA 61 HA ALA 61 11.891 -2.101 4.982 478 HB1 ALA 61 HB1 ALA 61 14.089 -2.598 5.957 479 HB2 ALA 61 HB2 ALA 61 13.171 -4.069 5.607 480 HB3 ALA 61 HB3 ALA 61 14.509 -3.569 4.525 481 H GLN 62 H GLN 62 14.249 -2.103 2.262 482 HA GLN 62 HA GLN 62 15.345 0.488 2.773 483 HB2 GLN 62 HB2 GLN 62 14.986 -0.969 0.138 484 HB3 GLN 62 HB3 GLN 62 15.678 0.639 0.276 485 HG2 GLN 62 HG2 GLN 62 17.640 -0.430 0.436 486 HG3 GLN 62 HG3 GLN 62 17.204 -0.601 2.135 487 HE21 GLN 62 HE21 GLN 62 16.464 -2.420 -0.931 488 HE22 GLN 62 HE22 GLN 62 16.514 -3.922 -0.050 489 H LEU 63 H LEU 63 12.686 -0.431 0.486 490 HA LEU 63 HA LEU 63 12.047 2.299 -0.040 491 HB2 LEU 63 HB2 LEU 63 10.668 -0.307 -0.588 492 HB3 LEU 63 HB3 LEU 63 9.649 1.090 -0.467 493 HG LEU 63 HG LEU 63 11.262 2.285 -2.063 494 HD11 LEU 63 HD11 LEU 63 13.145 0.727 -1.947 495 HD12 LEU 63 HD12 LEU 63 12.554 0.866 -3.602 496 HD13 LEU 63 HD13 LEU 63 12.142 -0.564 -2.630 497 HD21 LEU 63 HD21 LEU 63 10.012 0.155 -3.695 498 HD22 LEU 63 HD22 LEU 63 9.771 1.908 -3.700 499 HD23 LEU 63 HD23 LEU 63 8.923 0.911 -2.531 500 H LEU 64 H LEU 64 10.942 0.194 2.662 501 HA LEU 64 HA LEU 64 8.860 2.013 3.377 502 HB2 LEU 64 HB2 LEU 64 9.146 -0.422 4.095 503 HB3 LEU 64 HB3 LEU 64 10.384 0.095 5.228 504 HG LEU 64 HG LEU 64 8.204 1.772 5.791 505 HD11 LEU 64 HD11 LEU 64 6.796 0.409 4.289 506 HD12 LEU 64 HD12 LEU 64 6.255 0.209 5.972 507 HD13 LEU 64 HD13 LEU 64 7.210 -1.060 5.226 508 HD21 LEU 64 HD21 LEU 64 9.520 0.757 7.552 509 HD22 LEU 64 HD22 LEU 64 8.877 -0.842 7.153 510 HD23 LEU 64 HD23 LEU 64 7.812 0.422 7.789 511 H GLN 65 H GLN 65 12.359 2.156 3.902 512 HA GLN 65 HA GLN 65 12.056 4.322 5.914 513 HB2 GLN 65 HB2 GLN 65 14.460 4.368 6.127 514 HB3 GLN 65 HB3 GLN 65 13.831 2.776 6.477 515 HG2 GLN 65 HG2 GLN 65 14.579 1.919 4.358 516 HG3 GLN 65 HG3 GLN 65 15.086 3.518 3.812 517 HE21 GLN 65 HE21 GLN 65 16.759 4.572 5.538 518 HE22 GLN 65 HE22 GLN 65 18.106 3.438 5.818 519 H ILE 66 H ILE 66 13.130 3.809 2.538 520 HA ILE 66 HA ILE 66 13.937 6.532 2.126 521 HB ILE 66 HB ILE 66 13.180 4.429 0.074 522 HG12 ILE 66 HG12 ILE 66 15.980 5.237 0.915 523 HG13 ILE 66 HG13 ILE 66 15.166 3.880 1.641 524 HG21 ILE 66 HG21 ILE 66 13.112 6.706 -0.886 525 HG22 ILE 66 HG22 ILE 66 14.738 7.035 -0.260 526 HG23 ILE 66 HG23 ILE 66 14.488 5.821 -1.528 527 HD11 ILE 66 HD11 ILE 66 15.919 4.112 -1.285 528 HD12 ILE 66 HD12 ILE 66 16.576 3.015 -0.065 529 HD13 ILE 66 HD13 ILE 66 14.900 2.818 -0.613 530 H LEU 67 H LEU 67 10.918 4.740 1.112 531 HA LEU 67 HA LEU 67 10.020 7.000 -0.303 532 HB2 LEU 67 HB2 LEU 67 8.249 4.827 0.927 533 HB3 LEU 67 HB3 LEU 67 7.778 5.960 -0.316 534 HG LEU 67 HG LEU 67 9.299 3.425 -0.493 535 HD11 LEU 67 HD11 LEU 67 8.065 3.252 -2.621 536 HD12 LEU 67 HD12 LEU 67 7.492 4.921 -2.434 537 HD13 LEU 67 HD13 LEU 67 7.001 3.662 -1.284 538 HD21 LEU 67 HD21 LEU 67 9.963 5.820 -2.286 539 HD22 LEU 67 HD22 LEU 67 10.267 4.140 -2.750 540 HD23 LEU 67 HD23 LEU 67 11.106 4.809 -1.357 541 H GLN 68 H GLN 68 9.224 5.859 2.945 542 HA GLN 68 HA GLN 68 7.417 7.780 3.765 543 HB2 GLN 68 HB2 GLN 68 8.406 5.625 4.833 544 HB3 GLN 68 HB3 GLN 68 9.639 6.679 5.542 545 HG2 GLN 68 HG2 GLN 68 7.855 7.988 6.631 546 HG3 GLN 68 HG3 GLN 68 6.628 6.975 5.848 547 HE21 GLN 68 HE21 GLN 68 7.930 4.352 6.289 548 HE22 GLN 68 HE22 GLN 68 7.559 4.041 7.970 549 H ALA 69 H ALA 69 10.927 8.237 3.260 550 HA ALA 69 HA ALA 69 10.938 10.805 4.693 551 HB1 ALA 69 HB1 ALA 69 12.913 9.309 4.784 552 HB2 ALA 69 HB2 ALA 69 13.092 9.447 3.013 553 HB3 ALA 69 HB3 ALA 69 13.279 10.876 4.036 554 H LEU 70 H LEU 70 10.273 9.678 1.462 555 HA LEU 70 HA LEU 70 10.834 12.337 0.268 556 HB2 LEU 70 HB2 LEU 70 10.526 9.618 -1.061 557 HB3 LEU 70 HB3 LEU 70 11.004 11.110 -1.856 558 HG LEU 70 HG LEU 70 12.602 9.443 0.088 559 HD11 LEU 70 HD11 LEU 70 12.516 8.649 -2.216 560 HD12 LEU 70 HD12 LEU 70 14.143 9.225 -1.790 561 HD13 LEU 70 HD13 LEU 70 13.078 10.232 -2.806 562 HD21 LEU 70 HD21 LEU 70 13.079 11.759 0.632 563 HD22 LEU 70 HD22 LEU 70 13.303 12.172 -1.085 564 HD23 LEU 70 HD23 LEU 70 14.447 11.095 -0.251 565 H HIS 71 H HIS 71 9.371 12.266 -1.943 566 HA HIS 71 HA HIS 71 7.466 12.593 -2.969 567 HB2 HIS 71 HB2 HIS 71 6.651 10.345 -1.201 568 HB3 HIS 71 HB3 HIS 71 5.338 11.360 -1.722 569 HD1 HIS 71 HD1 HIS 71 8.352 9.695 -3.658 570 HD2 HIS 71 HD2 HIS 71 4.254 10.675 -3.915 571 HE1 HIS 71 HE1 HIS 71 7.540 8.783 -5.871 572 HA PRO 72 HA PRO 72 5.214 15.901 -0.902 573 HB2 PRO 72 HB2 PRO 72 2.794 15.902 -2.194 574 HB3 PRO 72 HB3 PRO 72 4.310 16.423 -2.998 575 HG2 PRO 72 HG2 PRO 72 3.019 13.684 -3.135 576 HG3 PRO 72 HG3 PRO 72 3.519 14.742 -4.499 577 HD2 PRO 72 HD2 PRO 72 5.153 12.817 -3.594 578 HD3 PRO 72 HD3 PRO 72 5.812 14.411 -4.034 579 HA PRO 73 HA PRO 73 2.826 13.818 2.180 580 HB2 PRO 73 HB2 PRO 73 0.664 15.500 2.727 581 HB3 PRO 73 HB3 PRO 73 2.328 15.665 3.348 582 HG2 PRO 73 HG2 PRO 73 1.066 17.063 0.990 583 HG3 PRO 73 HG3 PRO 73 2.130 17.755 2.249 584 HD2 PRO 73 HD2 PRO 73 3.086 17.069 -0.197 585 HD3 PRO 73 HD3 PRO 73 4.060 16.803 1.276 586 H LEU 74 H LEU 74 1.960 11.906 1.415 587 HA LEU 74 HA LEU 74 -0.194 11.915 -0.551 588 HB2 LEU 74 HB2 LEU 74 1.603 10.247 -0.753 589 HB3 LEU 74 HB3 LEU 74 1.189 9.595 0.839 590 HG LEU 74 HG LEU 74 -1.117 9.055 -0.011 591 HD11 LEU 74 HD11 LEU 74 0.012 10.067 -2.629 592 HD12 LEU 74 HD12 LEU 74 -1.464 10.630 -1.786 593 HD13 LEU 74 HD13 LEU 74 -1.422 9.031 -2.528 594 HD21 LEU 74 HD21 LEU 74 0.776 7.394 -0.125 595 HD22 LEU 74 HD22 LEU 74 0.972 7.886 -1.828 596 HD23 LEU 74 HD23 LEU 74 -0.534 7.132 -1.297 597 H THR 75 H THR 75 -2.079 12.604 0.306 598 HA THR 75 HA THR 75 -3.201 11.141 2.613 599 HB THR 75 HB THR 75 -3.230 14.132 2.444 600 HG1 THR 75 HG1 THR 75 -1.141 13.718 2.764 601 HG21 THR 75 HG21 THR 75 -3.946 14.136 4.686 602 HG22 THR 75 HG22 THR 75 -3.665 12.385 4.872 603 HG23 THR 75 HG23 THR 75 -4.957 12.996 3.806 604 H ILE 76 H ILE 76 -4.632 10.199 1.160 605 HA ILE 76 HA ILE 76 -6.172 11.975 -0.667 606 HB ILE 76 HB ILE 76 -6.212 8.942 -0.568 607 HG12 ILE 76 HG12 ILE 76 -4.566 10.828 -2.341 608 HG13 ILE 76 HG13 ILE 76 -3.934 9.702 -1.136 609 HG21 ILE 76 HG21 ILE 76 -7.103 10.913 -2.738 610 HG22 ILE 76 HG22 ILE 76 -7.313 9.154 -2.762 611 HG23 ILE 76 HG23 ILE 76 -8.209 10.118 -1.602 612 HD11 ILE 76 HD11 ILE 76 -3.587 8.665 -3.221 613 HD12 ILE 76 HD12 ILE 76 -4.949 7.822 -2.451 614 HD13 ILE 76 HD13 ILE 76 -5.238 8.986 -3.765 615 H ASP 77 H ASP 77 -8.340 12.365 -0.251 616 HA ASP 77 HA ASP 77 -10.223 12.642 0.993 617 HB2 ASP 77 HB2 ASP 77 -10.433 10.275 0.217 618 HB3 ASP 77 HB3 ASP 77 -9.835 9.755 1.797 619 H GLY 78 H GLY 78 -7.596 13.145 2.309 620 HA2 GLY 78 HA2 GLY 78 -6.924 14.036 4.338 621 HA3 GLY 78 HA3 GLY 78 -8.540 13.724 4.988 622 H LYS 79 H LYS 79 -6.985 10.919 3.572 623 HA LYS 79 HA LYS 79 -6.387 9.866 6.298 624 HB2 LYS 79 HB2 LYS 79 -6.878 8.223 3.810 625 HB3 LYS 79 HB3 LYS 79 -6.752 7.729 5.495 626 HG2 LYS 79 HG2 LYS 79 -9.021 9.223 4.146 627 HG3 LYS 79 HG3 LYS 79 -9.045 7.588 4.811 628 HD2 LYS 79 HD2 LYS 79 -8.854 8.505 7.100 629 HD3 LYS 79 HD3 LYS 79 -8.879 10.153 6.437 630 HE2 LYS 79 HE2 LYS 79 -11.067 9.610 5.306 631 HE3 LYS 79 HE3 LYS 79 -11.070 8.044 6.132 632 HZ1 LYS 79 HZ1 LYS 79 -12.388 9.667 7.324 633 HZ2 LYS 79 HZ2 LYS 79 -11.102 10.690 7.448 634 HZ3 LYS 79 HZ3 LYS 79 -11.067 9.237 8.234 635 H THR 80 H THR 80 -4.237 9.968 6.726 636 HA THR 80 HA THR 80 -2.331 10.349 4.622 637 HB THR 80 HB THR 80 -1.636 9.713 7.513 638 HG1 THR 80 HG1 THR 80 -2.595 12.276 6.796 639 HG21 THR 80 HG21 THR 80 -0.045 11.551 7.170 640 HG22 THR 80 HG22 THR 80 -0.768 11.900 5.579 641 HG23 THR 80 HG23 THR 80 0.108 10.387 5.843 642 H ILE 81 H ILE 81 -1.801 8.612 3.356 643 HA ILE 81 HA ILE 81 -2.420 5.909 3.973 644 HB ILE 81 HB ILE 81 -0.446 7.004 1.930 645 HG12 ILE 81 HG12 ILE 81 -2.503 8.121 1.441 646 HG13 ILE 81 HG13 ILE 81 -2.356 6.815 0.277 647 HG21 ILE 81 HG21 ILE 81 -0.201 4.612 2.217 648 HG22 ILE 81 HG22 ILE 81 -1.950 4.381 2.090 649 HG23 ILE 81 HG23 ILE 81 -1.013 4.927 0.674 650 HD11 ILE 81 HD11 ILE 81 -4.643 6.922 1.013 651 HD12 ILE 81 HD12 ILE 81 -3.950 5.471 1.775 652 HD13 ILE 81 HD13 ILE 81 -4.181 6.947 2.723 653 H ASN 82 H ASN 82 -1.486 4.525 5.437 654 HA ASN 82 HA ASN 82 0.939 5.596 6.748 655 HB2 ASN 82 HB2 ASN 82 -1.423 4.545 7.787 656 HB3 ASN 82 HB3 ASN 82 -0.294 3.181 7.884 657 HD21 ASN 82 HD21 ASN 82 -1.494 4.773 10.071 658 HD22 ASN 82 HD22 ASN 82 -0.170 5.495 10.915 659 H VAL 83 H VAL 83 2.506 3.954 7.533 660 HA VAL 83 HA VAL 83 3.185 2.240 5.209 661 HB VAL 83 HB VAL 83 4.884 4.107 6.942 662 HG11 VAL 83 HG11 VAL 83 6.229 2.377 6.152 663 HG12 VAL 83 HG12 VAL 83 5.498 2.363 4.525 664 HG13 VAL 83 HG13 VAL 83 6.554 3.703 5.041 665 HG21 VAL 83 HG21 VAL 83 5.063 5.473 4.907 666 HG22 VAL 83 HG22 VAL 83 3.956 4.374 4.046 667 HG23 VAL 83 HG23 VAL 83 3.383 5.377 5.394 668 H GLU 84 H GLU 84 2.215 0.413 6.213 669 HA GLU 84 HA GLU 84 3.722 -0.649 8.597 670 HB2 GLU 84 HB2 GLU 84 0.874 -1.135 7.644 671 HB3 GLU 84 HB3 GLU 84 1.627 -1.963 8.992 672 HG2 GLU 84 HG2 GLU 84 1.182 1.057 8.782 673 HG3 GLU 84 HG3 GLU 84 0.172 -0.046 9.689 674 H PHE 85 H PHE 85 3.877 -3.145 8.629 675 HA PHE 85 HA PHE 85 4.794 -3.998 5.935 676 HB2 PHE 85 HB2 PHE 85 5.516 -4.789 8.759 677 HB3 PHE 85 HB3 PHE 85 5.701 -5.959 7.474 678 HD1 PHE 85 HD1 PHE 85 7.668 -3.820 9.300 679 HD2 PHE 85 HD2 PHE 85 6.754 -4.775 5.182 680 HE1 PHE 85 HE1 PHE 85 9.936 -2.981 8.545 681 HE2 PHE 85 HE2 PHE 85 8.951 -3.872 4.504 682 HZ PHE 85 HZ PHE 85 10.521 -2.988 6.203 683 H ALA 86 H ALA 86 3.993 -5.768 4.852 684 HA ALA 86 HA ALA 86 1.615 -7.162 5.944 685 HB1 ALA 86 HB1 ALA 86 2.857 -7.061 3.176 686 HB2 ALA 86 HB2 ALA 86 1.529 -8.131 3.623 687 HB3 ALA 86 HB3 ALA 86 1.297 -6.379 3.622 688 H LYS 87 H LYS 87 1.991 -9.029 6.937 689 HA LYS 87 HA LYS 87 4.075 -10.826 5.888 690 HB2 LYS 87 HB2 LYS 87 5.138 -9.511 7.697 691 HB3 LYS 87 HB3 LYS 87 3.867 -9.961 8.817 692 HG2 LYS 87 HG2 LYS 87 5.292 -12.227 7.442 693 HG3 LYS 87 HG3 LYS 87 6.261 -11.273 8.548 694 HD2 LYS 87 HD2 LYS 87 3.550 -12.335 9.425 695 HD3 LYS 87 HD3 LYS 87 5.009 -13.345 9.492 696 HE2 LYS 87 HE2 LYS 87 6.161 -11.784 10.901 697 HE3 LYS 87 HE3 LYS 87 4.896 -10.558 10.702 698 HZ1 LYS 87 HZ1 LYS 87 4.796 -11.744 12.787 699 HZ2 LYS 87 HZ2 LYS 87 4.428 -13.170 11.985 700 HZ3 LYS 87 HZ3 LYS 87 3.410 -11.877 11.907 701 H GLY 88 H GLY 88 3.483 -12.974 6.061 702 HA2 GLY 88 HA2 GLY 88 1.241 -13.783 7.812 703 HA3 GLY 88 HA3 GLY 88 1.113 -14.041 6.068 704 H SER 89 H SER 89 4.297 -14.212 7.503 705 HA SER 89 HA SER 89 4.837 -16.748 6.422 706 HB2 SER 89 HB2 SER 89 6.211 -15.003 8.495 707 HB3 SER 89 HB3 SER 89 6.872 -16.570 8.042 708 HG SER 89 HG SER 89 7.253 -15.953 6.059 Start of MODEL 7 1 H1 GLY 1 H GLY 1 7.640 -7.028 8.935 2 HA2 GLY 1 HA2 GLY 1 9.036 -8.890 8.388 3 HA3 GLY 1 HA3 GLY 1 7.580 -9.890 8.180 4 H HIS 2 H HIS 2 9.945 -8.703 6.384 5 HA HIS 2 HA HIS 2 8.912 -7.030 4.424 6 HB2 HIS 2 HB2 HIS 2 10.940 -9.268 4.014 7 HB3 HIS 2 HB3 HIS 2 10.705 -7.885 2.964 8 HD1 HIS 2 HD1 HIS 2 13.549 -8.408 4.341 9 HD2 HIS 2 HD2 HIS 2 10.489 -5.889 5.808 10 HE1 HIS 2 HE1 HIS 2 14.639 -6.813 5.971 11 H MET 3 H MET 3 9.114 -10.630 3.967 12 HA MET 3 HA MET 3 7.858 -12.030 2.711 13 HB2 MET 3 HB2 MET 3 6.399 -11.187 4.667 14 HB3 MET 3 HB3 MET 3 5.464 -10.351 3.425 15 HG2 MET 3 HG2 MET 3 5.218 -12.625 2.263 16 HG3 MET 3 HG3 MET 3 6.006 -13.346 3.652 17 HE1 MET 3 HE1 MET 3 2.326 -14.529 4.087 18 HE2 MET 3 HE2 MET 3 3.277 -14.367 2.590 19 HE3 MET 3 HE3 MET 3 4.046 -14.984 4.073 20 H ASP 4 H ASP 4 8.766 -9.439 1.190 21 HA ASP 4 HA ASP 4 8.442 -8.330 -0.670 22 HB2 ASP 4 HB2 ASP 4 7.946 -9.542 -2.739 23 HB3 ASP 4 HB3 ASP 4 9.226 -10.227 -1.786 24 H THR 5 H THR 5 6.423 -8.027 1.316 25 HA THR 5 HA THR 5 4.388 -6.873 -0.410 26 HB THR 5 HB THR 5 3.514 -8.471 2.032 27 HG1 THR 5 HG1 THR 5 4.549 -9.898 0.534 28 HG21 THR 5 HG21 THR 5 2.004 -7.710 -0.503 29 HG22 THR 5 HG22 THR 5 1.866 -6.877 1.063 30 HG23 THR 5 HG23 THR 5 1.336 -8.561 0.903 31 H ILE 6 H ILE 6 3.513 -4.942 0.486 32 HA ILE 6 HA ILE 6 4.360 -4.215 3.246 33 HB ILE 6 HB ILE 6 4.335 -2.193 0.970 34 HG12 ILE 6 HG12 ILE 6 6.717 -3.696 2.122 35 HG13 ILE 6 HG13 ILE 6 6.119 -3.787 0.472 36 HG21 ILE 6 HG21 ILE 6 5.604 -2.168 3.757 37 HG22 ILE 6 HG22 ILE 6 5.672 -0.853 2.583 38 HG23 ILE 6 HG23 ILE 6 4.132 -1.258 3.262 39 HD11 ILE 6 HD11 ILE 6 7.586 -1.419 1.719 40 HD12 ILE 6 HD12 ILE 6 8.078 -2.496 0.402 41 HD13 ILE 6 HD13 ILE 6 6.728 -1.375 0.153 42 H ILE 7 H ILE 7 2.878 -2.527 4.165 43 HA ILE 7 HA ILE 7 0.129 -2.864 3.210 44 HB ILE 7 HB ILE 7 1.050 -2.731 6.086 45 HG12 ILE 7 HG12 ILE 7 0.000 -4.983 4.333 46 HG13 ILE 7 HG13 ILE 7 1.482 -4.898 5.243 47 HG21 ILE 7 HG21 ILE 7 -1.706 -2.807 4.843 48 HG22 ILE 7 HG22 ILE 7 -1.381 -2.934 6.604 49 HG23 ILE 7 HG23 ILE 7 -1.000 -1.452 5.766 50 HD11 ILE 7 HD11 ILE 7 -1.314 -5.155 6.430 51 HD12 ILE 7 HD12 ILE 7 -0.089 -6.407 6.338 52 HD13 ILE 7 HD13 ILE 7 0.187 -4.991 7.381 53 H LEU 8 H LEU 8 -0.514 -1.111 2.338 54 HA LEU 8 HA LEU 8 0.393 1.591 3.187 55 HB2 LEU 8 HB2 LEU 8 -1.601 0.610 1.108 56 HB3 LEU 8 HB3 LEU 8 -1.397 2.273 1.521 57 HG LEU 8 HG LEU 8 0.784 2.461 0.686 58 HD11 LEU 8 HD11 LEU 8 0.862 -0.558 0.377 59 HD12 LEU 8 HD12 LEU 8 1.930 0.464 1.333 60 HD13 LEU 8 HD13 LEU 8 2.011 0.552 -0.418 61 HD21 LEU 8 HD21 LEU 8 -0.995 2.558 -0.977 62 HD22 LEU 8 HD22 LEU 8 -0.959 0.797 -1.193 63 HD23 LEU 8 HD23 LEU 8 0.417 1.779 -1.707 64 H ARG 9 H ARG 9 -0.389 1.640 5.409 65 HA ARG 9 HA ARG 9 -3.153 0.965 5.963 66 HB2 ARG 9 HB2 ARG 9 -0.913 1.597 7.635 67 HB3 ARG 9 HB3 ARG 9 -1.952 3.000 7.745 68 HG2 ARG 9 HG2 ARG 9 -3.903 1.196 7.992 69 HG3 ARG 9 HG3 ARG 9 -2.544 0.154 8.453 70 HD2 ARG 9 HD2 ARG 9 -2.130 1.474 10.410 71 HD3 ARG 9 HD3 ARG 9 -2.878 2.909 9.674 72 HE ARG 9 HE ARG 9 -4.660 0.653 10.228 73 HH11 ARG 9 HH11 ARG 9 -3.288 3.642 11.546 74 HH12 ARG 9 HH12 ARG 9 -4.677 4.099 12.459 75 HH21 ARG 9 HH21 ARG 9 -6.561 1.205 11.476 76 HH22 ARG 9 HH22 ARG 9 -6.579 2.578 12.492 77 H ASN 10 H ASN 10 -4.538 2.857 7.016 78 HA ASN 10 HA ASN 10 -5.561 4.824 6.935 79 HB2 ASN 10 HB2 ASN 10 -2.838 5.672 6.194 80 HB3 ASN 10 HB3 ASN 10 -4.082 6.681 5.458 81 HD21 ASN 10 HD21 ASN 10 -2.099 7.185 7.559 82 HD22 ASN 10 HD22 ASN 10 -2.980 7.786 8.925 83 H LEU 11 H LEU 11 -5.144 2.976 4.267 84 HA LEU 11 HA LEU 11 -5.999 4.381 2.028 85 HB2 LEU 11 HB2 LEU 11 -5.537 1.674 2.945 86 HB3 LEU 11 HB3 LEU 11 -7.129 1.682 2.254 87 HG LEU 11 HG LEU 11 -5.268 1.041 0.745 88 HD11 LEU 11 HD11 LEU 11 -6.822 3.498 -0.163 89 HD12 LEU 11 HD12 LEU 11 -7.504 1.886 -0.044 90 HD13 LEU 11 HD13 LEU 11 -6.200 2.169 -1.190 91 HD21 LEU 11 HD21 LEU 11 -4.485 3.926 0.417 92 HD22 LEU 11 HD22 LEU 11 -3.676 2.456 -0.141 93 HD23 LEU 11 HD23 LEU 11 -3.664 2.857 1.579 94 H ASN 12 H ASN 12 -7.842 5.643 1.813 95 HA ASN 12 HA ASN 12 -10.017 5.538 3.647 96 HB2 ASN 12 HB2 ASN 12 -9.136 7.547 2.313 97 HB3 ASN 12 HB3 ASN 12 -9.894 6.797 0.919 98 HD21 ASN 12 HD21 ASN 12 -11.668 7.763 0.367 99 HD22 ASN 12 HD22 ASN 12 -12.916 8.329 1.452 100 HA PRO 13 HA PRO 13 -12.282 2.312 1.604 101 HB2 PRO 13 HB2 PRO 13 -14.929 3.116 1.951 102 HB3 PRO 13 HB3 PRO 13 -13.908 2.244 3.135 103 HG2 PRO 13 HG2 PRO 13 -14.428 5.206 2.908 104 HG3 PRO 13 HG3 PRO 13 -14.378 4.194 4.370 105 HD2 PRO 13 HD2 PRO 13 -12.320 5.733 3.688 106 HD3 PRO 13 HD3 PRO 13 -11.938 4.111 4.274 107 H HIS 14 H HIS 14 -12.867 5.580 0.488 108 HA HIS 14 HA HIS 14 -13.841 4.478 -2.122 109 HB2 HIS 14 HB2 HIS 14 -14.109 7.235 -0.883 110 HB3 HIS 14 HB3 HIS 14 -14.595 6.838 -2.522 111 HD1 HIS 14 HD1 HIS 14 -17.112 6.559 -2.665 112 HD2 HIS 14 HD2 HIS 14 -15.429 5.236 0.948 113 HE1 HIS 14 HE1 HIS 14 -19.050 5.686 -1.224 114 H SER 15 H SER 15 -10.734 5.192 -1.036 115 HA SER 15 HA SER 15 -9.951 6.959 -3.158 116 HB2 SER 15 HB2 SER 15 -8.316 4.884 -1.643 117 HB3 SER 15 HB3 SER 15 -7.699 6.172 -2.707 118 HG SER 15 HG SER 15 -9.200 7.448 -1.079 119 H THR 16 H THR 16 -9.131 6.565 -5.151 120 HA THR 16 HA THR 16 -9.673 3.980 -6.446 121 HB THR 16 HB THR 16 -9.090 5.256 -8.513 122 HG1 THR 16 HG1 THR 16 -8.561 7.280 -8.495 123 HG21 THR 16 HG21 THR 16 -11.143 6.632 -8.501 124 HG22 THR 16 HG22 THR 16 -11.249 6.492 -6.743 125 HG23 THR 16 HG23 THR 16 -11.422 5.056 -7.773 126 H MET 17 H MET 17 -8.024 2.436 -6.523 127 HA MET 17 HA MET 17 -5.553 3.156 -5.292 128 HB2 MET 17 HB2 MET 17 -4.726 1.058 -5.700 129 HB3 MET 17 HB3 MET 17 -6.396 0.928 -5.151 130 HG2 MET 17 HG2 MET 17 -6.352 0.995 -8.041 131 HG3 MET 17 HG3 MET 17 -5.124 -0.079 -7.454 132 HE1 MET 17 HE1 MET 17 -6.000 -2.328 -8.409 133 HE2 MET 17 HE2 MET 17 -7.734 -2.762 -8.445 134 HE3 MET 17 HE3 MET 17 -7.161 -1.301 -9.301 135 H ASP 18 H ASP 18 -6.594 3.438 -8.566 136 HA ASP 18 HA ASP 18 -4.253 3.554 -10.106 137 HB2 ASP 18 HB2 ASP 18 -6.859 5.122 -10.091 138 HB3 ASP 18 HB3 ASP 18 -5.587 5.521 -11.227 139 H SER 19 H SER 19 -5.708 6.124 -8.055 140 HA SER 19 HA SER 19 -3.591 8.054 -8.711 141 HB2 SER 19 HB2 SER 19 -5.965 8.040 -6.797 142 HB3 SER 19 HB3 SER 19 -4.804 9.367 -6.871 143 HG SER 19 HG SER 19 -5.675 8.635 -9.362 144 H ILE 20 H ILE 20 -4.463 5.835 -6.066 145 HA ILE 20 HA ILE 20 -2.463 6.724 -4.215 146 HB ILE 20 HB ILE 20 -3.700 3.995 -4.551 147 HG12 ILE 20 HG12 ILE 20 -4.577 6.135 -2.557 148 HG13 ILE 20 HG13 ILE 20 -5.321 6.008 -4.144 149 HG21 ILE 20 HG21 ILE 20 -3.112 3.678 -2.132 150 HG22 ILE 20 HG22 ILE 20 -1.664 3.957 -3.100 151 HG23 ILE 20 HG23 ILE 20 -2.339 5.268 -2.117 152 HD11 ILE 20 HD11 ILE 20 -6.044 4.620 -1.875 153 HD12 ILE 20 HD12 ILE 20 -6.609 4.298 -3.530 154 HD13 ILE 20 HD13 ILE 20 -5.252 3.383 -2.868 155 H LEU 21 H LEU 21 -2.382 4.217 -6.813 156 HA LEU 21 HA LEU 21 0.223 3.216 -6.395 157 HB2 LEU 21 HB2 LEU 21 -1.557 3.487 -8.846 158 HB3 LEU 21 HB3 LEU 21 0.050 2.813 -8.971 159 HG LEU 21 HG LEU 21 -2.116 1.584 -7.183 160 HD11 LEU 21 HD11 LEU 21 -2.775 1.569 -9.564 161 HD12 LEU 21 HD12 LEU 21 -2.439 -0.049 -8.918 162 HD13 LEU 21 HD13 LEU 21 -1.240 0.742 -9.940 163 HD21 LEU 21 HD21 LEU 21 -0.559 -0.412 -7.419 164 HD22 LEU 21 HD22 LEU 21 0.139 0.927 -6.473 165 HD23 LEU 21 HD23 LEU 21 0.619 0.650 -8.155 166 H GLY 22 H GLY 22 -0.872 5.910 -8.561 167 HA2 GLY 22 HA2 GLY 22 1.714 6.559 -9.542 168 HA3 GLY 22 HA3 GLY 22 0.317 7.638 -9.507 169 H ALA 23 H ALA 23 0.204 7.303 -6.468 170 HA ALA 23 HA ALA 23 2.335 9.254 -5.760 171 HB1 ALA 23 HB1 ALA 23 0.090 10.131 -5.625 172 HB2 ALA 23 HB2 ALA 23 -0.457 8.752 -4.655 173 HB3 ALA 23 HB3 ALA 23 0.706 9.901 -3.980 174 H LEU 24 H LEU 24 2.218 6.007 -5.627 175 HA LEU 24 HA LEU 24 3.679 5.973 -3.040 176 HB2 LEU 24 HB2 LEU 24 1.050 5.152 -3.117 177 HB3 LEU 24 HB3 LEU 24 1.830 3.658 -3.522 178 HG LEU 24 HG LEU 24 1.238 3.838 -1.194 179 HD11 LEU 24 HD11 LEU 24 3.290 2.568 -1.658 180 HD12 LEU 24 HD12 LEU 24 3.260 3.302 -0.042 181 HD13 LEU 24 HD13 LEU 24 4.238 4.047 -1.348 182 HD21 LEU 24 HD21 LEU 24 1.202 6.180 -0.851 183 HD22 LEU 24 HD22 LEU 24 2.971 6.307 -1.002 184 HD23 LEU 24 HD23 LEU 24 2.227 5.443 0.363 185 H ALA 25 H ALA 25 4.064 5.503 -6.199 186 HA ALA 25 HA ALA 25 5.713 3.027 -5.846 187 HB1 ALA 25 HB1 ALA 25 3.685 2.461 -7.041 188 HB2 ALA 25 HB2 ALA 25 3.982 3.762 -8.215 189 HB3 ALA 25 HB3 ALA 25 5.104 2.399 -8.114 190 HA PRO 26 HA PRO 26 8.607 6.081 -7.685 191 HB2 PRO 26 HB2 PRO 26 10.482 6.059 -5.677 192 HB3 PRO 26 HB3 PRO 26 9.119 7.220 -5.771 193 HG2 PRO 26 HG2 PRO 26 9.364 4.719 -4.103 194 HG3 PRO 26 HG3 PRO 26 8.686 6.302 -3.640 195 HD2 PRO 26 HD2 PRO 26 7.172 4.099 -4.423 196 HD3 PRO 26 HD3 PRO 26 6.656 5.799 -4.639 197 H TYR 27 H TYR 27 8.687 2.851 -6.323 198 HA TYR 27 HA TYR 27 10.964 2.107 -8.093 199 HB2 TYR 27 HB2 TYR 27 10.520 1.302 -5.203 200 HB3 TYR 27 HB3 TYR 27 11.829 0.760 -6.240 201 HD1 TYR 27 HD1 TYR 27 10.771 3.115 -3.804 202 HD2 TYR 27 HD2 TYR 27 13.519 2.611 -7.066 203 HE1 TYR 27 HE1 TYR 27 12.020 5.075 -3.014 204 HE2 TYR 27 HE2 TYR 27 14.845 4.545 -6.248 205 HH TYR 27 HH TYR 27 14.806 6.445 -4.800 206 H ALA 28 H ALA 28 7.927 1.197 -6.587 207 HA ALA 28 HA ALA 28 8.173 -1.660 -7.275 208 HB1 ALA 28 HB1 ALA 28 6.020 -1.909 -6.155 209 HB2 ALA 28 HB2 ALA 28 7.138 -1.006 -5.123 210 HB3 ALA 28 HB3 ALA 28 5.858 -0.139 -6.003 211 H VAL 29 H VAL 29 7.753 -2.323 -9.292 212 HA VAL 29 HA VAL 29 6.189 -0.488 -11.044 213 HB VAL 29 HB VAL 29 8.170 -2.578 -11.997 214 HG11 VAL 29 HG11 VAL 29 6.922 -0.108 -13.246 215 HG12 VAL 29 HG12 VAL 29 8.148 -1.145 -14.028 216 HG13 VAL 29 HG13 VAL 29 6.541 -1.788 -13.666 217 HG21 VAL 29 HG21 VAL 29 9.744 -0.662 -12.352 218 HG22 VAL 29 HG22 VAL 29 8.661 0.372 -11.385 219 HG23 VAL 29 HG23 VAL 29 9.474 -1.021 -10.653 220 H LEU 30 H LEU 30 4.304 -1.428 -10.002 221 HA LEU 30 HA LEU 30 3.551 -4.132 -11.006 222 HB2 LEU 30 HB2 LEU 30 1.814 -2.681 -9.063 223 HB3 LEU 30 HB3 LEU 30 2.067 -4.392 -9.247 224 HG LEU 30 HG LEU 30 4.145 -2.478 -8.043 225 HD11 LEU 30 HD11 LEU 30 2.024 -2.442 -6.777 226 HD12 LEU 30 HD12 LEU 30 3.390 -3.140 -5.889 227 HD13 LEU 30 HD13 LEU 30 2.148 -4.207 -6.561 228 HD21 LEU 30 HD21 LEU 30 3.871 -5.493 -7.776 229 HD22 LEU 30 HD22 LEU 30 5.167 -4.471 -7.117 230 HD23 LEU 30 HD23 LEU 30 5.026 -4.675 -8.866 231 H SER 31 H SER 31 0.941 -4.159 -11.202 232 HA SER 31 HA SER 31 0.037 -1.774 -12.766 233 HB2 SER 31 HB2 SER 31 0.341 -3.513 -14.374 234 HB3 SER 31 HB3 SER 31 -0.413 -4.727 -13.333 235 HG SER 31 HG SER 31 -1.528 -3.193 -15.169 236 H SER 32 H SER 32 -2.028 -4.495 -11.763 237 HA SER 32 HA SER 32 -2.850 -3.082 -9.308 238 HB2 SER 32 HB2 SER 32 -5.203 -3.455 -10.204 239 HB3 SER 32 HB3 SER 32 -4.266 -2.059 -10.818 240 HG SER 32 HG SER 32 -5.286 -3.039 -12.474 241 H SER 33 H SER 33 -2.832 -6.184 -11.196 242 HA SER 33 HA SER 33 -4.497 -7.665 -9.562 243 HB2 SER 33 HB2 SER 33 -1.847 -8.594 -10.735 244 HB3 SER 33 HB3 SER 33 -3.254 -9.606 -10.343 245 HG SER 33 HG SER 33 -4.446 -8.490 -11.893 246 H ASN 34 H ASN 34 -1.437 -6.343 -8.767 247 HA ASN 34 HA ASN 34 -0.872 -8.082 -6.434 248 HB2 ASN 34 HB2 ASN 34 0.527 -5.724 -7.779 249 HB3 ASN 34 HB3 ASN 34 0.974 -6.239 -6.157 250 HD21 ASN 34 HD21 ASN 34 2.279 -6.585 -9.180 251 HD22 ASN 34 HD22 ASN 34 2.855 -8.159 -8.886 252 H VAL 35 H VAL 35 -2.638 -5.168 -7.060 253 HA VAL 35 HA VAL 35 -2.314 -4.098 -4.345 254 HB VAL 35 HB VAL 35 -4.171 -3.225 -6.622 255 HG11 VAL 35 HG11 VAL 35 -4.275 -1.096 -5.341 256 HG12 VAL 35 HG12 VAL 35 -4.966 -2.445 -4.446 257 HG13 VAL 35 HG13 VAL 35 -3.352 -1.837 -4.029 258 HG21 VAL 35 HG21 VAL 35 -1.463 -2.092 -5.827 259 HG22 VAL 35 HG22 VAL 35 -1.821 -2.943 -7.332 260 HG23 VAL 35 HG23 VAL 35 -2.592 -1.390 -7.007 261 H ARG 36 H ARG 36 -3.450 -5.119 -2.734 262 HA ARG 36 HA ARG 36 -6.277 -5.730 -3.414 263 HB2 ARG 36 HB2 ARG 36 -4.584 -7.781 -3.323 264 HB3 ARG 36 HB3 ARG 36 -4.746 -7.599 -1.584 265 HG2 ARG 36 HG2 ARG 36 -6.317 -9.231 -2.401 266 HG3 ARG 36 HG3 ARG 36 -7.242 -7.821 -1.863 267 HD2 ARG 36 HD2 ARG 36 -7.895 -7.264 -4.054 268 HD3 ARG 36 HD3 ARG 36 -6.406 -7.899 -4.758 269 HE ARG 36 HE ARG 36 -8.087 -9.966 -3.627 270 HH11 ARG 36 HH11 ARG 36 -7.342 -8.134 -6.617 271 HH12 ARG 36 HH12 ARG 36 -7.978 -9.351 -7.652 272 HH21 ARG 36 HH21 ARG 36 -9.232 -11.383 -5.013 273 HH22 ARG 36 HH22 ARG 36 -9.109 -11.214 -6.730 274 H VAL 37 H VAL 37 -7.210 -4.027 -2.372 275 HA VAL 37 HA VAL 37 -6.328 -3.483 0.415 276 HB VAL 37 HB VAL 37 -8.651 -2.086 -0.823 277 HG11 VAL 37 HG11 VAL 37 -7.652 -0.198 0.508 278 HG12 VAL 37 HG12 VAL 37 -7.975 -1.628 1.524 279 HG13 VAL 37 HG13 VAL 37 -6.344 -1.236 0.960 280 HG21 VAL 37 HG21 VAL 37 -7.004 -1.817 -2.661 281 HG22 VAL 37 HG22 VAL 37 -7.348 -0.293 -1.803 282 HG23 VAL 37 HG23 VAL 37 -5.832 -1.182 -1.518 283 H ILE 38 H ILE 38 -7.519 -6.038 -0.432 284 HA ILE 38 HA ILE 38 -9.070 -7.565 0.086 285 HB ILE 38 HB ILE 38 -9.190 -6.237 2.787 286 HG12 ILE 38 HG12 ILE 38 -6.857 -5.926 2.256 287 HG13 ILE 38 HG13 ILE 38 -7.053 -7.177 3.450 288 HG21 ILE 38 HG21 ILE 38 -8.940 -9.154 1.948 289 HG22 ILE 38 HG22 ILE 38 -8.947 -8.563 3.624 290 HG23 ILE 38 HG23 ILE 38 -10.375 -8.355 2.607 291 HD11 ILE 38 HD11 ILE 38 -5.327 -7.739 1.781 292 HD12 ILE 38 HD12 ILE 38 -6.639 -8.930 1.782 293 HD13 ILE 38 HD13 ILE 38 -6.537 -7.716 0.490 294 H LYS 39 H LYS 39 -10.186 -5.312 -1.200 295 HA LYS 39 HA LYS 39 -12.212 -4.031 0.187 296 HB2 LYS 39 HB2 LYS 39 -13.000 -3.229 -2.012 297 HB3 LYS 39 HB3 LYS 39 -11.271 -3.060 -1.781 298 HG2 LYS 39 HG2 LYS 39 -11.101 -3.931 -3.839 299 HG3 LYS 39 HG3 LYS 39 -11.447 -5.483 -3.075 300 HD2 LYS 39 HD2 LYS 39 -13.873 -5.153 -3.519 301 HD3 LYS 39 HD3 LYS 39 -13.506 -3.636 -4.344 302 HE2 LYS 39 HE2 LYS 39 -12.510 -6.410 -5.163 303 HE3 LYS 39 HE3 LYS 39 -13.835 -5.503 -5.903 304 HZ1 LYS 39 HZ1 LYS 39 -12.172 -3.761 -6.426 305 HZ2 LYS 39 HZ2 LYS 39 -11.990 -5.145 -7.248 306 HZ3 LYS 39 HZ3 LYS 39 -10.962 -4.834 -6.017 307 H ASP 40 H ASP 40 -14.462 -4.113 0.227 308 HA ASP 40 HA ASP 40 -15.122 -6.747 0.946 309 HB2 ASP 40 HB2 ASP 40 -15.981 -4.596 2.015 310 HB3 ASP 40 HB3 ASP 40 -17.091 -4.445 0.654 311 H LYS 41 H LYS 41 -17.283 -7.760 0.432 312 HA LYS 41 HA LYS 41 -17.720 -8.020 -2.486 313 HB2 LYS 41 HB2 LYS 41 -19.337 -9.853 -1.662 314 HB3 LYS 41 HB3 LYS 41 -17.604 -10.162 -1.711 315 HG2 LYS 41 HG2 LYS 41 -18.725 -9.077 0.825 316 HG3 LYS 41 HG3 LYS 41 -19.192 -10.734 0.425 317 HD2 LYS 41 HD2 LYS 41 -16.285 -9.786 0.509 318 HD3 LYS 41 HD3 LYS 41 -17.122 -10.536 1.873 319 HE2 LYS 41 HE2 LYS 41 -17.436 -12.601 0.729 320 HE3 LYS 41 HE3 LYS 41 -16.990 -11.904 -0.825 321 HZ1 LYS 41 HZ1 LYS 41 -15.251 -13.209 0.080 322 HZ2 LYS 41 HZ2 LYS 41 -15.123 -12.324 1.431 323 HZ3 LYS 41 HZ3 LYS 41 -14.733 -11.667 -0.054 324 H GLN 42 H GLN 42 -19.333 -6.970 0.533 325 HA GLN 42 HA GLN 42 -21.931 -6.775 -0.821 326 HB2 GLN 42 HB2 GLN 42 -21.240 -6.105 2.077 327 HB3 GLN 42 HB3 GLN 42 -22.819 -6.280 1.365 328 HG2 GLN 42 HG2 GLN 42 -22.866 -8.441 1.853 329 HG3 GLN 42 HG3 GLN 42 -21.510 -8.757 0.800 330 HE21 GLN 42 HE21 GLN 42 -19.632 -7.087 2.852 331 HE22 GLN 42 HE22 GLN 42 -19.546 -8.239 4.174 332 H THR 43 H THR 43 -19.857 -4.550 1.196 333 HA THR 43 HA THR 43 -21.409 -2.318 0.094 334 HB THR 43 HB THR 43 -20.787 -2.318 2.485 335 HG1 THR 43 HG1 THR 43 -21.158 -0.404 1.697 336 HG21 THR 43 HG21 THR 43 -18.499 -1.771 3.193 337 HG22 THR 43 HG22 THR 43 -17.914 -2.079 1.546 338 HG23 THR 43 HG23 THR 43 -18.624 -3.389 2.518 339 H GLN 44 H GLN 44 -18.607 -4.016 -0.864 340 HA GLN 44 HA GLN 44 -16.910 -3.683 -2.325 341 HB2 GLN 44 HB2 GLN 44 -19.047 -1.966 -3.656 342 HB3 GLN 44 HB3 GLN 44 -17.514 -2.355 -4.409 343 HG2 GLN 44 HG2 GLN 44 -19.498 -4.447 -3.437 344 HG3 GLN 44 HG3 GLN 44 -19.386 -3.864 -5.109 345 HE21 GLN 44 HE21 GLN 44 -18.952 -6.534 -3.937 346 HE22 GLN 44 HE22 GLN 44 -17.246 -6.957 -4.061 347 H LEU 45 H LEU 45 -16.190 -2.498 -0.172 348 HA LEU 45 HA LEU 45 -14.987 0.102 -0.987 349 HB2 LEU 45 HB2 LEU 45 -15.993 -0.661 1.793 350 HB3 LEU 45 HB3 LEU 45 -15.136 0.806 1.380 351 HG LEU 45 HG LEU 45 -17.893 0.079 0.325 352 HD11 LEU 45 HD11 LEU 45 -18.018 0.495 2.691 353 HD12 LEU 45 HD12 LEU 45 -18.663 1.876 1.828 354 HD13 LEU 45 HD13 LEU 45 -17.041 1.995 2.531 355 HD21 LEU 45 HD21 LEU 45 -17.905 2.479 -0.413 356 HD22 LEU 45 HD22 LEU 45 -16.739 1.464 -1.266 357 HD23 LEU 45 HD23 LEU 45 -16.181 2.571 0.004 358 H ASN 46 H ASN 46 -12.967 0.454 -0.109 359 HA ASN 46 HA ASN 46 -11.206 -1.779 0.211 360 HB2 ASN 46 HB2 ASN 46 -10.854 1.131 1.034 361 HB3 ASN 46 HB3 ASN 46 -9.617 -0.028 1.090 362 HD21 ASN 46 HD21 ASN 46 -9.781 2.502 -0.541 363 HD22 ASN 46 HD22 ASN 46 -9.870 2.063 -2.202 364 H ARG 47 H ARG 47 -10.440 -2.895 2.126 365 HA ARG 47 HA ARG 47 -11.937 -2.479 4.553 366 HB2 ARG 47 HB2 ARG 47 -9.637 -4.279 3.787 367 HB3 ARG 47 HB3 ARG 47 -9.935 -3.979 5.495 368 HG2 ARG 47 HG2 ARG 47 -12.349 -4.599 5.139 369 HG3 ARG 47 HG3 ARG 47 -11.895 -5.199 3.536 370 HD2 ARG 47 HD2 ARG 47 -10.384 -6.831 4.571 371 HD3 ARG 47 HD3 ARG 47 -10.631 -6.133 6.160 372 HE ARG 47 HE ARG 47 -12.564 -7.733 4.572 373 HH11 ARG 47 HH11 ARG 47 -11.900 -6.103 7.693 374 HH12 ARG 47 HH12 ARG 47 -13.165 -6.958 8.520 375 HH21 ARG 47 HH21 ARG 47 -14.103 -8.981 5.847 376 HH22 ARG 47 HH22 ARG 47 -14.402 -8.517 7.492 377 H GLY 48 H GLY 48 -8.938 -0.909 3.475 378 HA2 GLY 48 HA2 GLY 48 -8.746 1.189 4.819 379 HA3 GLY 48 HA3 GLY 48 -8.609 0.175 6.242 380 H PHE 49 H PHE 49 -7.061 -1.755 4.210 381 HA PHE 49 HA PHE 49 -4.427 -0.460 4.361 382 HB2 PHE 49 HB2 PHE 49 -3.762 -2.826 5.224 383 HB3 PHE 49 HB3 PHE 49 -4.336 -1.611 6.345 384 HD1 PHE 49 HD1 PHE 49 -5.140 -4.805 4.634 385 HD2 PHE 49 HD2 PHE 49 -6.522 -1.880 7.488 386 HE1 PHE 49 HE1 PHE 49 -6.734 -6.459 5.564 387 HE2 PHE 49 HE2 PHE 49 -8.172 -3.512 8.349 388 HZ PHE 49 HZ PHE 49 -8.258 -5.817 7.402 389 H ALA 50 H ALA 50 -3.424 -0.716 2.399 390 HA ALA 50 HA ALA 50 -4.514 -2.764 0.521 391 HB1 ALA 50 HB1 ALA 50 -4.063 -0.376 -0.331 392 HB2 ALA 50 HB2 ALA 50 -2.343 -0.818 -0.222 393 HB3 ALA 50 HB3 ALA 50 -3.418 -1.740 -1.249 394 H PHE 51 H PHE 51 -3.542 -4.694 0.385 395 HA PHE 51 HA PHE 51 -0.751 -5.034 1.296 396 HB2 PHE 51 HB2 PHE 51 -2.889 -6.875 0.161 397 HB3 PHE 51 HB3 PHE 51 -1.193 -7.322 0.182 398 HD1 PHE 51 HD1 PHE 51 -0.831 -8.958 1.808 399 HD2 PHE 51 HD2 PHE 51 -3.359 -5.600 2.799 400 HE1 PHE 51 HE1 PHE 51 -0.987 -9.748 4.121 401 HE2 PHE 51 HE2 PHE 51 -3.482 -6.387 5.135 402 HZ PHE 51 HZ PHE 51 -2.323 -8.456 5.818 403 H ILE 52 H ILE 52 0.809 -4.556 -0.052 404 HA ILE 52 HA ILE 52 0.374 -4.452 -3.000 405 HB ILE 52 HB ILE 52 2.132 -2.649 -1.290 406 HG12 ILE 52 HG12 ILE 52 -0.216 -1.990 -1.035 407 HG13 ILE 52 HG13 ILE 52 0.746 -0.793 -1.907 408 HG21 ILE 52 HG21 ILE 52 2.514 -1.383 -3.398 409 HG22 ILE 52 HG22 ILE 52 3.203 -3.007 -3.418 410 HG23 ILE 52 HG23 ILE 52 1.690 -2.679 -4.292 411 HD11 ILE 52 HD11 ILE 52 -1.509 -1.076 -2.852 412 HD12 ILE 52 HD12 ILE 52 -0.220 -1.399 -4.020 413 HD13 ILE 52 HD13 ILE 52 -1.099 -2.754 -3.271 414 H GLN 53 H GLN 53 1.487 -6.084 -3.897 415 HA GLN 53 HA GLN 53 3.605 -7.525 -2.533 416 HB2 GLN 53 HB2 GLN 53 1.827 -8.292 -4.388 417 HB3 GLN 53 HB3 GLN 53 2.955 -7.497 -5.492 418 HG2 GLN 53 HG2 GLN 53 3.575 -9.714 -5.634 419 HG3 GLN 53 HG3 GLN 53 4.742 -9.062 -4.480 420 HE21 GLN 53 HE21 GLN 53 4.592 -9.733 -2.274 421 HE22 GLN 53 HE22 GLN 53 3.430 -10.867 -1.667 422 H LEU 54 H LEU 54 5.858 -7.389 -3.112 423 HA LEU 54 HA LEU 54 6.652 -5.054 -4.775 424 HB2 LEU 54 HB2 LEU 54 7.781 -6.437 -2.406 425 HB3 LEU 54 HB3 LEU 54 8.953 -6.336 -3.679 426 HG LEU 54 HG LEU 54 9.117 -4.433 -2.228 427 HD11 LEU 54 HD11 LEU 54 9.355 -2.787 -3.883 428 HD12 LEU 54 HD12 LEU 54 7.931 -3.312 -4.794 429 HD13 LEU 54 HD13 LEU 54 9.424 -4.264 -4.807 430 HD21 LEU 54 HD21 LEU 54 7.377 -2.813 -1.891 431 HD22 LEU 54 HD22 LEU 54 6.711 -4.430 -1.528 432 HD23 LEU 54 HD23 LEU 54 6.288 -3.625 -3.038 433 H SER 55 H SER 55 8.799 -5.600 -6.053 434 HA SER 55 HA SER 55 8.328 -7.695 -7.932 435 HB2 SER 55 HB2 SER 55 11.120 -6.926 -7.705 436 HB3 SER 55 HB3 SER 55 9.996 -6.696 -9.039 437 HG SER 55 HG SER 55 11.047 -4.864 -7.645 438 H THR 56 H THR 56 10.590 -7.307 -5.109 439 HA THR 56 HA THR 56 10.843 -10.221 -4.805 440 HB THR 56 HB THR 56 13.430 -8.874 -4.804 441 HG1 THR 56 HG1 THR 56 13.592 -8.698 -7.103 442 HG21 THR 56 HG21 THR 56 14.053 -10.765 -6.238 443 HG22 THR 56 HG22 THR 56 12.344 -11.206 -6.425 444 HG23 THR 56 HG23 THR 56 13.128 -11.329 -4.830 445 H ILE 57 H ILE 57 12.148 -10.726 -2.755 446 HA ILE 57 HA ILE 57 11.056 -9.257 -0.620 447 HB ILE 57 HB ILE 57 12.421 -10.650 0.845 448 HG12 ILE 57 HG12 ILE 57 13.729 -12.568 -0.593 449 HG13 ILE 57 HG13 ILE 57 14.077 -11.176 -1.602 450 HG21 ILE 57 HG21 ILE 57 10.345 -11.503 -0.071 451 HG22 ILE 57 HG22 ILE 57 11.184 -12.167 -1.481 452 HG23 ILE 57 HG23 ILE 57 11.511 -12.823 0.130 453 HD11 ILE 57 HD11 ILE 57 14.940 -10.000 0.515 454 HD12 ILE 57 HD12 ILE 57 14.697 -11.534 1.367 455 HD13 ILE 57 HD13 ILE 57 15.854 -11.429 0.024 456 H VAL 58 H VAL 58 14.188 -8.855 -2.159 457 HA VAL 58 HA VAL 58 15.358 -7.209 -0.095 458 HB VAL 58 HB VAL 58 15.984 -7.317 -3.091 459 HG11 VAL 58 HG11 VAL 58 18.264 -6.636 -2.420 460 HG12 VAL 58 HG12 VAL 58 17.075 -5.423 -1.937 461 HG13 VAL 58 HG13 VAL 58 17.741 -6.516 -0.723 462 HG21 VAL 58 HG21 VAL 58 17.749 -8.970 -2.486 463 HG22 VAL 58 HG22 VAL 58 17.109 -9.035 -0.832 464 HG23 VAL 58 HG23 VAL 58 16.133 -9.603 -2.210 465 H GLU 59 H GLU 59 13.161 -6.584 -2.777 466 HA GLU 59 HA GLU 59 13.518 -3.743 -2.881 467 HB2 GLU 59 HB2 GLU 59 11.262 -5.457 -3.968 468 HB3 GLU 59 HB3 GLU 59 11.639 -3.795 -4.402 469 HG2 GLU 59 HG2 GLU 59 14.024 -5.390 -4.834 470 HG3 GLU 59 HG3 GLU 59 12.646 -6.234 -5.526 471 H ALA 60 H ALA 60 11.955 -5.732 -0.638 472 HA ALA 60 HA ALA 60 10.057 -3.765 0.358 473 HB1 ALA 60 HB1 ALA 60 10.161 -6.276 0.948 474 HB2 ALA 60 HB2 ALA 60 11.562 -5.884 1.958 475 HB3 ALA 60 HB3 ALA 60 9.970 -5.147 2.311 476 H ALA 61 H ALA 61 11.089 -3.592 3.011 477 HA ALA 61 HA ALA 61 12.508 -2.559 4.486 478 HB1 ALA 61 HB1 ALA 61 13.529 -4.638 4.074 479 HB2 ALA 61 HB2 ALA 61 14.410 -4.010 2.658 480 HB3 ALA 61 HB3 ALA 61 14.762 -3.387 4.297 481 H GLN 62 H GLN 62 14.407 -2.143 1.605 482 HA GLN 62 HA GLN 62 15.615 0.399 1.984 483 HB2 GLN 62 HB2 GLN 62 14.902 -1.212 -0.409 484 HB3 GLN 62 HB3 GLN 62 15.708 0.357 -0.507 485 HG2 GLN 62 HG2 GLN 62 17.586 -0.367 0.837 486 HG3 GLN 62 HG3 GLN 62 16.767 -1.873 1.279 487 HE21 GLN 62 HE21 GLN 62 15.977 -3.303 -0.608 488 HE22 GLN 62 HE22 GLN 62 16.725 -3.052 -2.117 489 H LEU 63 H LEU 63 12.709 -0.577 0.058 490 HA LEU 63 HA LEU 63 11.813 2.023 -0.527 491 HB2 LEU 63 HB2 LEU 63 10.500 -0.671 -0.353 492 HB3 LEU 63 HB3 LEU 63 9.437 0.731 -0.282 493 HG LEU 63 HG LEU 63 10.292 1.623 -2.352 494 HD11 LEU 63 HD11 LEU 63 11.774 0.026 -3.793 495 HD12 LEU 63 HD12 LEU 63 12.215 -0.726 -2.272 496 HD13 LEU 63 HD13 LEU 63 12.568 0.990 -2.538 497 HD21 LEU 63 HD21 LEU 63 9.435 -0.268 -3.846 498 HD22 LEU 63 HD22 LEU 63 8.376 0.221 -2.507 499 HD23 LEU 63 HD23 LEU 63 9.355 -1.247 -2.369 500 H LEU 64 H LEU 64 11.182 0.132 2.453 501 HA LEU 64 HA LEU 64 9.205 1.956 3.382 502 HB2 LEU 64 HB2 LEU 64 9.852 -0.462 4.175 503 HB3 LEU 64 HB3 LEU 64 10.965 0.336 5.267 504 HG LEU 64 HG LEU 64 8.993 -0.199 6.461 505 HD11 LEU 64 HD11 LEU 64 8.084 1.898 7.280 506 HD12 LEU 64 HD12 LEU 64 8.705 2.774 5.869 507 HD13 LEU 64 HD13 LEU 64 9.824 2.059 7.044 508 HD21 LEU 64 HD21 LEU 64 7.328 1.270 4.397 509 HD22 LEU 64 HD22 LEU 64 6.735 0.381 5.818 510 HD23 LEU 64 HD23 LEU 64 7.509 -0.500 4.494 511 H GLN 65 H GLN 65 12.737 1.576 4.181 512 HA GLN 65 HA GLN 65 12.804 3.818 5.954 513 HB2 GLN 65 HB2 GLN 65 15.197 3.479 6.060 514 HB3 GLN 65 HB3 GLN 65 14.346 1.940 6.156 515 HG2 GLN 65 HG2 GLN 65 14.805 1.630 3.699 516 HG3 GLN 65 HG3 GLN 65 15.870 3.037 3.764 517 HE21 GLN 65 HE21 GLN 65 16.695 1.968 6.656 518 HE22 GLN 65 HE22 GLN 65 17.887 0.761 6.197 519 H ILE 66 H ILE 66 13.485 3.619 2.449 520 HA ILE 66 HA ILE 66 14.580 6.277 2.256 521 HB ILE 66 HB ILE 66 13.322 4.488 0.163 522 HG12 ILE 66 HG12 ILE 66 16.298 4.934 0.480 523 HG13 ILE 66 HG13 ILE 66 15.509 3.695 1.432 524 HG21 ILE 66 HG21 ILE 66 13.344 6.791 -0.644 525 HG22 ILE 66 HG22 ILE 66 15.060 6.956 -0.206 526 HG23 ILE 66 HG23 ILE 66 14.562 5.848 -1.504 527 HD11 ILE 66 HD11 ILE 66 14.611 2.730 -0.791 528 HD12 ILE 66 HD12 ILE 66 15.794 3.796 -1.584 529 HD13 ILE 66 HD13 ILE 66 16.330 2.552 -0.426 530 H LEU 67 H LEU 67 11.250 4.875 1.876 531 HA LEU 67 HA LEU 67 10.054 7.374 1.111 532 HB2 LEU 67 HB2 LEU 67 9.005 4.743 2.163 533 HB3 LEU 67 HB3 LEU 67 7.966 6.092 1.838 534 HG LEU 67 HG LEU 67 8.374 4.190 0.038 535 HD11 LEU 67 HD11 LEU 67 8.208 7.134 -0.805 536 HD12 LEU 67 HD12 LEU 67 6.848 6.233 -0.142 537 HD13 LEU 67 HD13 LEU 67 7.540 5.739 -1.680 538 HD21 LEU 67 HD21 LEU 67 9.795 4.729 -1.813 539 HD22 LEU 67 HD22 LEU 67 10.808 4.593 -0.398 540 HD23 LEU 67 HD23 LEU 67 10.411 6.199 -1.015 541 H GLN 68 H GLN 68 10.968 5.941 4.246 542 HA GLN 68 HA GLN 68 9.366 7.842 5.772 543 HB2 GLN 68 HB2 GLN 68 10.678 5.461 6.365 544 HB3 GLN 68 HB3 GLN 68 11.697 6.669 7.140 545 HG2 GLN 68 HG2 GLN 68 9.630 7.614 8.216 546 HG3 GLN 68 HG3 GLN 68 8.701 6.301 7.480 547 HE21 GLN 68 HE21 GLN 68 8.723 4.212 8.474 548 HE22 GLN 68 HE22 GLN 68 9.771 3.857 9.858 549 H ALA 69 H ALA 69 12.397 7.980 4.085 550 HA ALA 69 HA ALA 69 13.703 9.911 5.799 551 HB1 ALA 69 HB1 ALA 69 15.353 10.079 4.069 552 HB2 ALA 69 HB2 ALA 69 14.866 8.380 4.188 553 HB3 ALA 69 HB3 ALA 69 14.247 9.403 2.859 554 H LEU 70 H LEU 70 11.125 10.200 3.498 555 HA LEU 70 HA LEU 70 11.382 13.087 3.336 556 HB2 LEU 70 HB2 LEU 70 10.581 13.038 1.092 557 HB3 LEU 70 HB3 LEU 70 12.250 12.461 1.364 558 HG LEU 70 HG LEU 70 11.676 10.195 1.037 559 HD11 LEU 70 HD11 LEU 70 9.763 10.186 2.380 560 HD12 LEU 70 HD12 LEU 70 9.131 9.644 0.783 561 HD13 LEU 70 HD13 LEU 70 8.933 11.344 1.422 562 HD21 LEU 70 HD21 LEU 70 11.786 11.508 -1.007 563 HD22 LEU 70 HD22 LEU 70 10.040 11.831 -0.965 564 HD23 LEU 70 HD23 LEU 70 10.607 10.186 -1.202 565 H HIS 71 H HIS 71 9.457 14.231 2.644 566 HA HIS 71 HA HIS 71 6.975 13.134 3.753 567 HB2 HIS 71 HB2 HIS 71 8.386 14.187 5.630 568 HB3 HIS 71 HB3 HIS 71 8.041 15.736 4.882 569 HD1 HIS 71 HD1 HIS 71 5.957 16.872 5.987 570 HD2 HIS 71 HD2 HIS 71 5.921 12.652 6.080 571 HE1 HIS 71 HE1 HIS 71 3.998 16.183 7.481 572 HA PRO 72 HA PRO 72 6.532 16.032 0.119 573 HB2 PRO 72 HB2 PRO 72 5.417 14.304 -1.706 574 HB3 PRO 72 HB3 PRO 72 7.196 14.381 -1.448 575 HG2 PRO 72 HG2 PRO 72 5.195 12.474 -0.157 576 HG3 PRO 72 HG3 PRO 72 6.714 12.060 -1.045 577 HD2 PRO 72 HD2 PRO 72 6.727 12.247 1.649 578 HD3 PRO 72 HD3 PRO 72 8.049 12.979 0.669 579 HA PRO 73 HA PRO 73 2.164 16.570 0.983 580 HB2 PRO 73 HB2 PRO 73 1.218 17.815 -1.248 581 HB3 PRO 73 HB3 PRO 73 2.390 18.571 -0.138 582 HG2 PRO 73 HG2 PRO 73 3.014 17.105 -2.712 583 HG3 PRO 73 HG3 PRO 73 3.578 18.732 -2.204 584 HD2 PRO 73 HD2 PRO 73 5.091 16.536 -1.865 585 HD3 PRO 73 HD3 PRO 73 5.068 17.824 -0.630 586 H LEU 74 H LEU 74 2.164 14.040 0.906 587 HA LEU 74 HA LEU 74 0.521 12.920 -1.312 588 HB2 LEU 74 HB2 LEU 74 2.785 11.904 -0.600 589 HB3 LEU 74 HB3 LEU 74 2.010 11.482 0.911 590 HG LEU 74 HG LEU 74 1.446 10.562 -1.888 591 HD11 LEU 74 HD11 LEU 74 3.131 9.340 -0.643 592 HD12 LEU 74 HD12 LEU 74 1.707 8.320 -0.846 593 HD13 LEU 74 HD13 LEU 74 2.009 9.088 0.717 594 HD21 LEU 74 HD21 LEU 74 -0.455 9.122 -1.094 595 HD22 LEU 74 HD22 LEU 74 -0.833 10.820 -1.205 596 HD23 LEU 74 HD23 LEU 74 -0.503 10.071 0.386 597 H THR 75 H THR 75 -1.536 13.465 -0.824 598 HA THR 75 HA THR 75 -2.626 12.033 1.473 599 HB THR 75 HB THR 75 -3.849 14.626 1.613 600 HG1 THR 75 HG1 THR 75 -1.856 15.337 0.571 601 HG21 THR 75 HG21 THR 75 -3.342 12.885 3.477 602 HG22 THR 75 HG22 THR 75 -3.111 14.567 3.893 603 HG23 THR 75 HG23 THR 75 -1.716 13.539 3.495 604 H ILE 76 H ILE 76 -4.115 10.822 0.437 605 HA ILE 76 HA ILE 76 -5.987 12.098 -1.494 606 HB ILE 76 HB ILE 76 -5.370 9.190 -0.946 607 HG12 ILE 76 HG12 ILE 76 -4.824 10.756 -3.486 608 HG13 ILE 76 HG13 ILE 76 -3.609 10.554 -2.229 609 HG21 ILE 76 HG21 ILE 76 -6.874 8.658 -2.844 610 HG22 ILE 76 HG22 ILE 76 -7.742 9.400 -1.522 611 HG23 ILE 76 HG23 ILE 76 -7.340 10.372 -2.951 612 HD11 ILE 76 HD11 ILE 76 -3.648 8.146 -2.498 613 HD12 ILE 76 HD12 ILE 76 -4.846 8.307 -3.823 614 HD13 ILE 76 HD13 ILE 76 -3.222 8.993 -3.992 615 H ASP 77 H ASP 77 -8.206 12.076 -0.999 616 HA ASP 77 HA ASP 77 -10.057 12.268 0.245 617 HB2 ASP 77 HB2 ASP 77 -9.120 9.501 1.019 618 HB3 ASP 77 HB3 ASP 77 -10.748 10.106 1.304 619 H GLY 78 H GLY 78 -7.554 13.208 1.823 620 HA2 GLY 78 HA2 GLY 78 -7.328 14.318 3.793 621 HA3 GLY 78 HA3 GLY 78 -8.878 13.715 4.363 622 H LYS 79 H LYS 79 -6.847 11.234 3.074 623 HA LYS 79 HA LYS 79 -5.891 10.380 5.759 624 HB2 LYS 79 HB2 LYS 79 -6.433 8.732 3.250 625 HB3 LYS 79 HB3 LYS 79 -5.885 8.152 4.808 626 HG2 LYS 79 HG2 LYS 79 -8.642 9.212 4.051 627 HG3 LYS 79 HG3 LYS 79 -8.224 7.618 4.641 628 HD2 LYS 79 HD2 LYS 79 -7.610 8.620 6.865 629 HD3 LYS 79 HD3 LYS 79 -8.120 10.196 6.254 630 HE2 LYS 79 HE2 LYS 79 -10.073 9.727 7.170 631 HE3 LYS 79 HE3 LYS 79 -10.365 8.866 5.652 632 HZ1 LYS 79 HZ1 LYS 79 -9.290 7.595 8.113 633 HZ2 LYS 79 HZ2 LYS 79 -9.838 6.811 6.757 634 HZ3 LYS 79 HZ3 LYS 79 -10.871 7.626 7.700 635 H THR 80 H THR 80 -3.784 10.074 6.019 636 HA THR 80 HA THR 80 -1.884 10.553 3.840 637 HB THR 80 HB THR 80 -1.438 10.543 6.841 638 HG1 THR 80 HG1 THR 80 -2.378 12.419 6.965 639 HG21 THR 80 HG21 THR 80 0.622 10.693 5.437 640 HG22 THR 80 HG22 THR 80 0.327 12.184 6.341 641 HG23 THR 80 HG23 THR 80 -0.053 12.109 4.611 642 H ILE 81 H ILE 81 -1.359 8.697 2.876 643 HA ILE 81 HA ILE 81 -1.957 6.064 3.804 644 HB ILE 81 HB ILE 81 -0.041 6.873 1.577 645 HG12 ILE 81 HG12 ILE 81 -2.026 8.098 1.059 646 HG13 ILE 81 HG13 ILE 81 -2.011 6.684 0.032 647 HG21 ILE 81 HG21 ILE 81 -1.730 4.388 2.026 648 HG22 ILE 81 HG22 ILE 81 -0.806 4.736 0.545 649 HG23 ILE 81 HG23 ILE 81 0.041 4.496 2.076 650 HD11 ILE 81 HD11 ILE 81 -3.652 5.588 1.663 651 HD12 ILE 81 HD12 ILE 81 -3.753 7.148 2.501 652 HD13 ILE 81 HD13 ILE 81 -4.263 7.017 0.810 653 H ASN 82 H ASN 82 -0.922 4.769 5.290 654 HA ASN 82 HA ASN 82 1.639 5.806 6.259 655 HB2 ASN 82 HB2 ASN 82 -0.664 4.786 7.551 656 HB3 ASN 82 HB3 ASN 82 0.534 3.539 7.780 657 HD21 ASN 82 HD21 ASN 82 -0.462 4.939 10.014 658 HD22 ASN 82 HD22 ASN 82 0.714 6.111 10.478 659 H VAL 83 H VAL 83 3.330 4.433 7.113 660 HA VAL 83 HA VAL 83 4.066 2.440 5.108 661 HB VAL 83 HB VAL 83 6.361 2.998 5.890 662 HG11 VAL 83 HG11 VAL 83 4.713 5.348 4.910 663 HG12 VAL 83 HG12 VAL 83 6.458 5.121 4.709 664 HG13 VAL 83 HG13 VAL 83 5.334 4.020 3.904 665 HG21 VAL 83 HG21 VAL 83 5.048 5.295 7.413 666 HG22 VAL 83 HG22 VAL 83 5.847 3.912 8.176 667 HG23 VAL 83 HG23 VAL 83 6.775 5.025 7.167 668 H GLU 84 H GLU 84 2.765 0.673 6.110 669 HA GLU 84 HA GLU 84 4.146 -0.493 8.505 670 HB2 GLU 84 HB2 GLU 84 1.340 -0.700 7.341 671 HB3 GLU 84 HB3 GLU 84 1.950 -1.852 8.528 672 HG2 GLU 84 HG2 GLU 84 1.892 1.185 8.934 673 HG3 GLU 84 HG3 GLU 84 0.633 0.124 9.483 674 H PHE 85 H PHE 85 4.944 -2.697 8.384 675 HA PHE 85 HA PHE 85 5.081 -3.771 5.625 676 HB2 PHE 85 HB2 PHE 85 6.416 -4.563 8.211 677 HB3 PHE 85 HB3 PHE 85 6.280 -5.728 6.919 678 HD1 PHE 85 HD1 PHE 85 8.631 -3.650 8.228 679 HD2 PHE 85 HD2 PHE 85 6.745 -4.563 4.441 680 HE1 PHE 85 HE1 PHE 85 10.619 -2.756 6.969 681 HE2 PHE 85 HE2 PHE 85 8.635 -3.500 3.248 682 HZ PHE 85 HZ PHE 85 10.506 -2.528 4.565 683 H ALA 86 H ALA 86 4.514 -5.935 5.179 684 HA ALA 86 HA ALA 86 2.010 -6.838 6.363 685 HB1 ALA 86 HB1 ALA 86 2.053 -8.465 4.553 686 HB2 ALA 86 HB2 ALA 86 2.449 -6.883 3.894 687 HB3 ALA 86 HB3 ALA 86 3.750 -8.073 4.200 688 H LYS 87 H LYS 87 2.240 -9.484 6.321 689 HA LYS 87 HA LYS 87 2.580 -11.262 7.548 690 HB2 LYS 87 HB2 LYS 87 4.754 -10.920 6.255 691 HB3 LYS 87 HB3 LYS 87 5.480 -10.447 7.783 692 HG2 LYS 87 HG2 LYS 87 5.022 -12.639 8.736 693 HG3 LYS 87 HG3 LYS 87 4.035 -13.097 7.349 694 HD2 LYS 87 HD2 LYS 87 5.904 -13.225 5.894 695 HD3 LYS 87 HD3 LYS 87 6.976 -12.424 7.041 696 HE2 LYS 87 HE2 LYS 87 6.770 -14.355 8.570 697 HE3 LYS 87 HE3 LYS 87 5.654 -15.148 7.446 698 HZ1 LYS 87 HZ1 LYS 87 7.975 -15.936 7.289 699 HZ2 LYS 87 HZ2 LYS 87 8.471 -14.481 6.814 700 HZ3 LYS 87 HZ3 LYS 87 7.450 -15.360 5.858 701 H GLY 88 H GLY 88 3.782 -8.376 9.241 702 HA2 GLY 88 HA2 GLY 88 3.797 -7.842 11.466 703 HA3 GLY 88 HA3 GLY 88 2.844 -9.295 11.846 704 H SER 89 H SER 89 3.991 -10.732 13.010 705 HA SER 89 HA SER 89 6.633 -10.843 13.675 706 HB2 SER 89 HB2 SER 89 5.024 -12.191 14.825 707 HB3 SER 89 HB3 SER 89 4.619 -13.094 13.365 708 HG SER 89 HG SER 89 6.504 -13.630 15.191 Start of MODEL 8 1 H1 GLY 1 H GLY 1 10.477 -8.349 8.487 2 HA2 GLY 1 HA2 GLY 1 10.586 -11.277 8.067 3 HA3 GLY 1 HA3 GLY 1 9.140 -10.257 7.864 4 H HIS 2 H HIS 2 9.197 -8.585 6.184 5 HA HIS 2 HA HIS 2 9.217 -8.098 4.086 6 HB2 HIS 2 HB2 HIS 2 11.666 -8.062 3.001 7 HB3 HIS 2 HB3 HIS 2 10.889 -6.771 3.851 8 HD1 HIS 2 HD1 HIS 2 11.657 -6.524 6.546 9 HD2 HIS 2 HD2 HIS 2 13.960 -8.892 3.932 10 HE1 HIS 2 HE1 HIS 2 13.870 -6.949 7.737 11 H MET 3 H MET 3 7.945 -9.504 3.354 12 HA MET 3 HA MET 3 8.949 -11.787 1.736 13 HB2 MET 3 HB2 MET 3 6.304 -11.472 3.234 14 HB3 MET 3 HB3 MET 3 6.727 -12.809 2.155 15 HG2 MET 3 HG2 MET 3 8.551 -13.474 3.651 16 HG3 MET 3 HG3 MET 3 8.221 -12.120 4.723 17 HE1 MET 3 HE1 MET 3 7.818 -15.782 4.266 18 HE2 MET 3 HE2 MET 3 8.505 -15.105 5.755 19 HE3 MET 3 HE3 MET 3 7.022 -16.070 5.823 20 H ASP 4 H ASP 4 9.257 -9.453 0.581 21 HA ASP 4 HA ASP 4 8.739 -8.041 -1.102 22 HB2 ASP 4 HB2 ASP 4 6.855 -10.176 -2.110 23 HB3 ASP 4 HB3 ASP 4 7.900 -9.056 -3.006 24 H THR 5 H THR 5 6.785 -7.825 1.327 25 HA THR 5 HA THR 5 4.668 -6.475 -0.234 26 HB THR 5 HB THR 5 4.022 -8.430 2.000 27 HG1 THR 5 HG1 THR 5 4.795 -9.688 0.378 28 HG21 THR 5 HG21 THR 5 2.249 -6.726 1.476 29 HG22 THR 5 HG22 THR 5 1.765 -8.366 1.024 30 HG23 THR 5 HG23 THR 5 2.299 -7.230 -0.226 31 H ILE 6 H ILE 6 3.740 -4.681 0.697 32 HA ILE 6 HA ILE 6 4.472 -3.982 3.506 33 HB ILE 6 HB ILE 6 4.328 -2.038 1.159 34 HG12 ILE 6 HG12 ILE 6 6.803 -3.113 2.616 35 HG13 ILE 6 HG13 ILE 6 6.352 -3.478 0.954 36 HG21 ILE 6 HG21 ILE 6 5.265 -0.409 2.779 37 HG22 ILE 6 HG22 ILE 6 3.757 -1.033 3.382 38 HG23 ILE 6 HG23 ILE 6 5.295 -1.668 4.028 39 HD11 ILE 6 HD11 ILE 6 8.065 -1.838 0.833 40 HD12 ILE 6 HD12 ILE 6 6.558 -1.021 0.406 41 HD13 ILE 6 HD13 ILE 6 7.289 -0.795 2.010 42 H ILE 7 H ILE 7 2.801 -2.625 4.556 43 HA ILE 7 HA ILE 7 0.089 -2.983 3.456 44 HB ILE 7 HB ILE 7 0.836 -2.701 6.395 45 HG12 ILE 7 HG12 ILE 7 0.018 -5.055 4.627 46 HG13 ILE 7 HG13 ILE 7 1.450 -4.897 5.640 47 HG21 ILE 7 HG21 ILE 7 -1.558 -3.092 6.788 48 HG22 ILE 7 HG22 ILE 7 -1.358 -1.668 5.791 49 HG23 ILE 7 HG23 ILE 7 -1.850 -3.209 5.034 50 HD11 ILE 7 HD11 ILE 7 0.018 -5.051 7.670 51 HD12 ILE 7 HD12 ILE 7 -1.406 -5.292 6.611 52 HD13 ILE 7 HD13 ILE 7 -0.101 -6.480 6.600 53 H LEU 8 H LEU 8 -0.674 -1.173 2.663 54 HA LEU 8 HA LEU 8 0.204 1.437 3.734 55 HB2 LEU 8 HB2 LEU 8 -2.100 1.214 1.781 56 HB3 LEU 8 HB3 LEU 8 -0.938 2.483 2.084 57 HG LEU 8 HG LEU 8 -0.396 -0.132 0.658 58 HD11 LEU 8 HD11 LEU 8 -1.674 1.466 -0.642 59 HD12 LEU 8 HD12 LEU 8 -0.036 1.385 -1.295 60 HD13 LEU 8 HD13 LEU 8 -0.495 2.758 -0.280 61 HD21 LEU 8 HD21 LEU 8 1.839 0.794 0.092 62 HD22 LEU 8 HD22 LEU 8 1.686 0.472 1.812 63 HD23 LEU 8 HD23 LEU 8 1.558 2.153 1.223 64 H ARG 9 H ARG 9 -0.583 1.713 5.794 65 HA ARG 9 HA ARG 9 -3.366 1.052 6.527 66 HB2 ARG 9 HB2 ARG 9 -0.997 1.574 8.023 67 HB3 ARG 9 HB3 ARG 9 -1.988 3.013 8.254 68 HG2 ARG 9 HG2 ARG 9 -2.746 0.175 8.802 69 HG3 ARG 9 HG3 ARG 9 -2.286 1.360 10.015 70 HD2 ARG 9 HD2 ARG 9 -4.290 2.750 9.366 71 HD3 ARG 9 HD3 ARG 9 -4.824 1.403 8.325 72 HE ARG 9 HE ARG 9 -4.292 0.578 11.043 73 HH11 ARG 9 HH11 ARG 9 -6.861 2.256 9.100 74 HH12 ARG 9 HH12 ARG 9 -8.088 1.762 10.195 75 HH21 ARG 9 HH21 ARG 9 -5.936 0.103 12.444 76 HH22 ARG 9 HH22 ARG 9 -7.495 0.867 12.290 77 H ASN 10 H ASN 10 -4.674 3.033 7.413 78 HA ASN 10 HA ASN 10 -5.723 4.964 7.149 79 HB2 ASN 10 HB2 ASN 10 -2.934 5.798 6.486 80 HB3 ASN 10 HB3 ASN 10 -4.205 6.920 6.109 81 HD21 ASN 10 HD21 ASN 10 -2.002 6.837 8.195 82 HD22 ASN 10 HD22 ASN 10 -2.793 7.172 9.710 83 H LEU 11 H LEU 11 -5.715 2.878 5.014 84 HA LEU 11 HA LEU 11 -6.277 4.488 2.612 85 HB2 LEU 11 HB2 LEU 11 -6.273 1.580 3.342 86 HB3 LEU 11 HB3 LEU 11 -7.249 2.086 1.994 87 HG LEU 11 HG LEU 11 -5.321 2.827 0.824 88 HD11 LEU 11 HD11 LEU 11 -3.137 3.174 1.471 89 HD12 LEU 11 HD12 LEU 11 -3.497 2.631 3.141 90 HD13 LEU 11 HD13 LEU 11 -4.154 4.141 2.507 91 HD21 LEU 11 HD21 LEU 11 -4.192 0.460 2.058 92 HD22 LEU 11 HD22 LEU 11 -3.992 1.084 0.412 93 HD23 LEU 11 HD23 LEU 11 -5.562 0.453 0.901 94 H ASN 12 H ASN 12 -8.204 5.333 2.122 95 HA ASN 12 HA ASN 12 -10.327 5.293 4.136 96 HB2 ASN 12 HB2 ASN 12 -9.220 7.391 3.085 97 HB3 ASN 12 HB3 ASN 12 -10.104 6.948 1.632 98 HD21 ASN 12 HD21 ASN 12 -11.915 8.073 1.401 99 HD22 ASN 12 HD22 ASN 12 -13.010 8.485 2.714 100 HA PRO 13 HA PRO 13 -12.688 2.522 1.540 101 HB2 PRO 13 HB2 PRO 13 -15.278 3.449 1.861 102 HB3 PRO 13 HB3 PRO 13 -14.393 2.356 2.966 103 HG2 PRO 13 HG2 PRO 13 -14.783 5.330 3.148 104 HG3 PRO 13 HG3 PRO 13 -14.811 4.134 4.462 105 HD2 PRO 13 HD2 PRO 13 -12.683 5.698 4.022 106 HD3 PRO 13 HD3 PRO 13 -12.411 4.030 4.514 107 H HIS 14 H HIS 14 -12.861 5.890 0.940 108 HA HIS 14 HA HIS 14 -14.053 5.566 -1.753 109 HB2 HIS 14 HB2 HIS 14 -13.459 8.066 -0.158 110 HB3 HIS 14 HB3 HIS 14 -14.250 8.015 -1.724 111 HD1 HIS 14 HD1 HIS 14 -16.813 7.244 -1.752 112 HD2 HIS 14 HD2 HIS 14 -14.872 7.208 1.972 113 HE1 HIS 14 HE1 HIS 14 -18.600 6.653 -0.004 114 H SER 15 H SER 15 -10.801 5.645 -0.606 115 HA SER 15 HA SER 15 -9.720 7.280 -2.742 116 HB2 SER 15 HB2 SER 15 -8.316 5.219 -1.004 117 HB3 SER 15 HB3 SER 15 -7.595 6.569 -1.895 118 HG SER 15 HG SER 15 -9.094 7.882 -0.451 119 H THR 16 H THR 16 -8.851 6.556 -4.635 120 HA THR 16 HA THR 16 -9.425 3.818 -5.530 121 HB THR 16 HB THR 16 -10.329 5.317 -7.049 122 HG1 THR 16 HG1 THR 16 -9.134 3.817 -8.073 123 HG21 THR 16 HG21 THR 16 -9.234 7.285 -8.000 124 HG22 THR 16 HG22 THR 16 -7.819 7.021 -6.950 125 HG23 THR 16 HG23 THR 16 -9.408 7.414 -6.250 126 H MET 17 H MET 17 -7.936 2.415 -5.323 127 HA MET 17 HA MET 17 -5.378 2.882 -4.256 128 HB2 MET 17 HB2 MET 17 -4.987 0.528 -4.673 129 HB3 MET 17 HB3 MET 17 -6.629 0.763 -4.078 130 HG2 MET 17 HG2 MET 17 -7.456 0.693 -6.446 131 HG3 MET 17 HG3 MET 17 -5.798 0.368 -6.976 132 HE1 MET 17 HE1 MET 17 -6.650 -1.445 -8.374 133 HE2 MET 17 HE2 MET 17 -7.404 -2.954 -7.843 134 HE3 MET 17 HE3 MET 17 -8.345 -1.447 -7.832 135 H ASP 18 H ASP 18 -6.462 3.083 -7.576 136 HA ASP 18 HA ASP 18 -4.048 2.612 -8.966 137 HB2 ASP 18 HB2 ASP 18 -6.420 2.888 -9.881 138 HB3 ASP 18 HB3 ASP 18 -6.207 4.622 -9.714 139 H SER 19 H SER 19 -5.398 5.597 -7.456 140 HA SER 19 HA SER 19 -3.162 7.232 -8.402 141 HB2 SER 19 HB2 SER 19 -5.319 7.811 -6.332 142 HB3 SER 19 HB3 SER 19 -4.209 8.981 -7.061 143 HG SER 19 HG SER 19 -5.304 7.788 -9.119 144 H ILE 20 H ILE 20 -4.094 5.451 -5.459 145 HA ILE 20 HA ILE 20 -1.965 6.343 -3.766 146 HB ILE 20 HB ILE 20 -3.435 3.723 -3.792 147 HG12 ILE 20 HG12 ILE 20 -3.894 6.225 -2.132 148 HG13 ILE 20 HG13 ILE 20 -4.920 5.693 -3.477 149 HG21 ILE 20 HG21 ILE 20 -2.707 3.275 -1.586 150 HG22 ILE 20 HG22 ILE 20 -1.248 3.651 -2.486 151 HG23 ILE 20 HG23 ILE 20 -1.960 4.869 -1.405 152 HD11 ILE 20 HD11 ILE 20 -6.014 5.060 -1.456 153 HD12 ILE 20 HD12 ILE 20 -5.354 3.566 -2.155 154 HD13 ILE 20 HD13 ILE 20 -4.551 4.360 -0.776 155 H LEU 21 H LEU 21 -2.043 3.642 -6.226 156 HA LEU 21 HA LEU 21 0.581 2.699 -5.855 157 HB2 LEU 21 HB2 LEU 21 -1.273 2.898 -8.245 158 HB3 LEU 21 HB3 LEU 21 0.394 2.447 -8.506 159 HG LEU 21 HG LEU 21 -1.515 0.917 -6.706 160 HD11 LEU 21 HD11 LEU 21 -0.583 0.422 -9.574 161 HD12 LEU 21 HD12 LEU 21 -2.225 0.845 -9.046 162 HD13 LEU 21 HD13 LEU 21 -1.506 -0.719 -8.608 163 HD21 LEU 21 HD21 LEU 21 0.775 0.551 -6.012 164 HD22 LEU 21 HD22 LEU 21 1.325 0.391 -7.697 165 HD23 LEU 21 HD23 LEU 21 0.289 -0.851 -6.977 166 H GLY 22 H GLY 22 -0.496 5.169 -8.258 167 HA2 GLY 22 HA2 GLY 22 2.062 5.797 -9.186 168 HA3 GLY 22 HA3 GLY 22 0.663 6.885 -9.241 169 H ALA 23 H ALA 23 0.420 6.952 -6.287 170 HA ALA 23 HA ALA 23 2.171 9.156 -5.758 171 HB1 ALA 23 HB1 ALA 23 1.093 8.869 -3.435 172 HB2 ALA 23 HB2 ALA 23 0.005 9.265 -4.772 173 HB3 ALA 23 HB3 ALA 23 0.096 7.611 -4.178 174 H LEU 24 H LEU 24 2.434 5.707 -5.138 175 HA LEU 24 HA LEU 24 4.573 6.130 -3.111 176 HB2 LEU 24 HB2 LEU 24 2.014 4.930 -2.799 177 HB3 LEU 24 HB3 LEU 24 3.105 3.588 -2.928 178 HG LEU 24 HG LEU 24 2.757 4.082 -0.635 179 HD11 LEU 24 HD11 LEU 24 5.493 5.229 -1.247 180 HD12 LEU 24 HD12 LEU 24 5.068 3.491 -1.256 181 HD13 LEU 24 HD13 LEU 24 4.956 4.426 0.237 182 HD21 LEU 24 HD21 LEU 24 3.470 6.310 0.380 183 HD22 LEU 24 HD22 LEU 24 1.964 6.296 -0.517 184 HD23 LEU 24 HD23 LEU 24 3.431 6.971 -1.260 185 H ALA 25 H ALA 25 4.478 5.612 -6.193 186 HA ALA 25 HA ALA 25 6.362 3.304 -6.240 187 HB1 ALA 25 HB1 ALA 25 4.175 3.944 -8.244 188 HB2 ALA 25 HB2 ALA 25 5.356 2.630 -8.349 189 HB3 ALA 25 HB3 ALA 25 4.155 2.626 -7.050 190 HA PRO 26 HA PRO 26 8.821 6.227 -8.663 191 HB2 PRO 26 HB2 PRO 26 10.866 6.690 -6.957 192 HB3 PRO 26 HB3 PRO 26 9.357 7.651 -6.894 193 HG2 PRO 26 HG2 PRO 26 10.124 5.279 -5.175 194 HG3 PRO 26 HG3 PRO 26 9.453 6.856 -4.649 195 HD2 PRO 26 HD2 PRO 26 7.878 4.600 -5.057 196 HD3 PRO 26 HD3 PRO 26 7.306 6.268 -5.332 197 H TYR 27 H TYR 27 9.337 3.242 -6.781 198 HA TYR 27 HA TYR 27 11.356 2.356 -8.777 199 HB2 TYR 27 HB2 TYR 27 11.400 1.747 -5.810 200 HB3 TYR 27 HB3 TYR 27 12.513 1.187 -7.001 201 HD1 TYR 27 HD1 TYR 27 11.662 3.775 -4.709 202 HD2 TYR 27 HD2 TYR 27 14.181 2.857 -8.055 203 HE1 TYR 27 HE1 TYR 27 13.048 5.695 -4.123 204 HE2 TYR 27 HE2 TYR 27 15.589 4.793 -7.540 205 HH TYR 27 HH TYR 27 15.826 6.697 -6.236 206 H ALA 28 H ALA 28 8.597 1.643 -6.821 207 HA ALA 28 HA ALA 28 8.676 -1.270 -7.152 208 HB1 ALA 28 HB1 ALA 28 6.337 0.429 -6.225 209 HB2 ALA 28 HB2 ALA 28 6.676 -1.298 -5.920 210 HB3 ALA 28 HB3 ALA 28 7.663 -0.068 -5.138 211 H VAL 29 H VAL 29 8.158 -2.273 -9.039 212 HA VAL 29 HA VAL 29 6.274 -0.814 -10.765 213 HB VAL 29 HB VAL 29 8.854 -2.067 -11.865 214 HG11 VAL 29 HG11 VAL 29 8.285 -0.840 -13.953 215 HG12 VAL 29 HG12 VAL 29 7.027 -2.006 -13.521 216 HG13 VAL 29 HG13 VAL 29 6.777 -0.278 -13.186 217 HG21 VAL 29 HG21 VAL 29 9.538 -0.099 -10.625 218 HG22 VAL 29 HG22 VAL 29 9.662 0.210 -12.344 219 HG23 VAL 29 HG23 VAL 29 8.297 0.891 -11.424 220 H LEU 30 H LEU 30 4.943 -1.882 -10.042 221 HA LEU 30 HA LEU 30 4.390 -4.679 -10.819 222 HB2 LEU 30 HB2 LEU 30 2.589 -2.989 -9.147 223 HB3 LEU 30 HB3 LEU 30 2.934 -4.717 -9.100 224 HG LEU 30 HG LEU 30 3.743 -3.878 -7.176 225 HD11 LEU 30 HD11 LEU 30 5.318 -5.391 -8.075 226 HD12 LEU 30 HD12 LEU 30 6.050 -4.221 -6.975 227 HD13 LEU 30 HD13 LEU 30 6.286 -4.054 -8.707 228 HD21 LEU 30 HD21 LEU 30 3.468 -1.537 -7.628 229 HD22 LEU 30 HD22 LEU 30 5.120 -1.517 -8.249 230 HD23 LEU 30 HD23 LEU 30 4.785 -1.993 -6.563 231 H SER 31 H SER 31 1.526 -4.235 -10.601 232 HA SER 31 HA SER 31 0.814 -2.348 -12.716 233 HB2 SER 31 HB2 SER 31 -0.031 -5.268 -12.926 234 HB3 SER 31 HB3 SER 31 -0.627 -3.940 -13.929 235 HG SER 31 HG SER 31 1.239 -3.786 -14.931 236 H SER 32 H SER 32 -1.095 -5.017 -11.201 237 HA SER 32 HA SER 32 -2.432 -3.115 -9.430 238 HB2 SER 32 HB2 SER 32 -4.580 -3.923 -10.546 239 HB3 SER 32 HB3 SER 32 -3.681 -2.599 -11.335 240 HG SER 32 HG SER 32 -3.342 -3.802 -12.982 241 H SER 33 H SER 33 -2.087 -6.495 -10.648 242 HA SER 33 HA SER 33 -3.928 -7.628 -8.716 243 HB2 SER 33 HB2 SER 33 -1.656 -8.870 -10.290 244 HB3 SER 33 HB3 SER 33 -2.866 -9.755 -9.334 245 HG SER 33 HG SER 33 -4.484 -8.993 -10.631 246 H ASN 34 H ASN 34 -0.747 -6.398 -8.627 247 HA ASN 34 HA ASN 34 0.332 -7.663 -6.291 248 HB2 ASN 34 HB2 ASN 34 1.995 -5.943 -6.426 249 HB3 ASN 34 HB3 ASN 34 1.461 -6.219 -8.083 250 HD21 ASN 34 HD21 ASN 34 1.997 -3.797 -5.782 251 HD22 ASN 34 HD22 ASN 34 1.291 -2.557 -6.796 252 H VAL 35 H VAL 35 -2.248 -5.439 -6.685 253 HA VAL 35 HA VAL 35 -1.994 -4.309 -3.959 254 HB VAL 35 HB VAL 35 -3.656 -3.396 -6.355 255 HG11 VAL 35 HG11 VAL 35 -2.904 -1.958 -3.779 256 HG12 VAL 35 HG12 VAL 35 -3.703 -1.232 -5.176 257 HG13 VAL 35 HG13 VAL 35 -4.520 -2.503 -4.261 258 HG21 VAL 35 HG21 VAL 35 -0.855 -2.607 -5.514 259 HG22 VAL 35 HG22 VAL 35 -1.401 -3.292 -7.058 260 HG23 VAL 35 HG23 VAL 35 -1.885 -1.644 -6.617 261 H ARG 36 H ARG 36 -3.438 -5.098 -2.457 262 HA ARG 36 HA ARG 36 -6.169 -5.682 -3.463 263 HB2 ARG 36 HB2 ARG 36 -4.871 -7.833 -3.365 264 HB3 ARG 36 HB3 ARG 36 -4.657 -7.600 -1.637 265 HG2 ARG 36 HG2 ARG 36 -6.480 -9.196 -2.253 266 HG3 ARG 36 HG3 ARG 36 -7.026 -7.868 -1.242 267 HD2 ARG 36 HD2 ARG 36 -8.642 -8.414 -3.002 268 HD3 ARG 36 HD3 ARG 36 -8.074 -6.754 -3.112 269 HE ARG 36 HE ARG 36 -6.547 -8.570 -4.808 270 HH11 ARG 36 HH11 ARG 36 -9.499 -6.608 -4.648 271 HH12 ARG 36 HH12 ARG 36 -9.804 -6.731 -6.365 272 HH21 ARG 36 HH21 ARG 36 -6.829 -8.432 -7.103 273 HH22 ARG 36 HH22 ARG 36 -8.153 -7.564 -7.778 274 H VAL 37 H VAL 37 -7.302 -4.061 -2.447 275 HA VAL 37 HA VAL 37 -6.507 -3.268 0.257 276 HB VAL 37 HB VAL 37 -9.027 -2.221 -1.017 277 HG11 VAL 37 HG11 VAL 37 -6.831 -1.210 0.810 278 HG12 VAL 37 HG12 VAL 37 -8.029 -0.134 0.171 279 HG13 VAL 37 HG13 VAL 37 -8.507 -1.482 1.234 280 HG21 VAL 37 HG21 VAL 37 -6.321 -1.112 -1.844 281 HG22 VAL 37 HG22 VAL 37 -7.538 -1.856 -2.907 282 HG23 VAL 37 HG23 VAL 37 -7.908 -0.344 -2.052 283 H ILE 38 H ILE 38 -7.433 -6.021 -0.163 284 HA ILE 38 HA ILE 38 -8.958 -7.601 0.465 285 HB ILE 38 HB ILE 38 -9.122 -5.895 2.947 286 HG12 ILE 38 HG12 ILE 38 -6.803 -5.709 2.444 287 HG13 ILE 38 HG13 ILE 38 -7.019 -6.831 3.759 288 HG21 ILE 38 HG21 ILE 38 -10.369 -7.971 3.150 289 HG22 ILE 38 HG22 ILE 38 -8.946 -8.905 2.643 290 HG23 ILE 38 HG23 ILE 38 -8.941 -7.992 4.176 291 HD11 ILE 38 HD11 ILE 38 -5.292 -7.637 2.267 292 HD12 ILE 38 HD12 ILE 38 -6.670 -8.753 2.210 293 HD13 ILE 38 HD13 ILE 38 -6.394 -7.594 0.886 294 H LYS 39 H LYS 39 -10.125 -5.622 -1.155 295 HA LYS 39 HA LYS 39 -12.138 -4.097 -0.140 296 HB2 LYS 39 HB2 LYS 39 -13.039 -4.025 -2.523 297 HB3 LYS 39 HB3 LYS 39 -11.376 -3.495 -2.245 298 HG2 LYS 39 HG2 LYS 39 -11.218 -4.686 -4.235 299 HG3 LYS 39 HG3 LYS 39 -10.741 -5.901 -3.054 300 HD2 LYS 39 HD2 LYS 39 -12.287 -7.071 -4.378 301 HD3 LYS 39 HD3 LYS 39 -13.291 -6.496 -3.050 302 HE2 LYS 39 HE2 LYS 39 -13.818 -4.462 -4.548 303 HE3 LYS 39 HE3 LYS 39 -13.198 -5.468 -5.870 304 HZ1 LYS 39 HZ1 LYS 39 -15.412 -6.170 -4.032 305 HZ2 LYS 39 HZ2 LYS 39 -14.890 -7.158 -5.232 306 HZ3 LYS 39 HZ3 LYS 39 -15.596 -5.720 -5.576 307 H ASP 40 H ASP 40 -14.437 -4.037 -0.262 308 HA ASP 40 HA ASP 40 -15.447 -6.594 0.657 309 HB2 ASP 40 HB2 ASP 40 -16.034 -4.071 1.411 310 HB3 ASP 40 HB3 ASP 40 -17.342 -4.346 0.213 311 H LYS 41 H LYS 41 -17.915 -6.875 0.000 312 HA LYS 41 HA LYS 41 -18.243 -7.068 -2.939 313 HB2 LYS 41 HB2 LYS 41 -19.303 -9.216 -2.574 314 HB3 LYS 41 HB3 LYS 41 -17.566 -9.290 -2.215 315 HG2 LYS 41 HG2 LYS 41 -18.238 -9.175 0.256 316 HG3 LYS 41 HG3 LYS 41 -19.913 -9.179 -0.298 317 HD2 LYS 41 HD2 LYS 41 -19.640 -11.370 0.288 318 HD3 LYS 41 HD3 LYS 41 -19.450 -11.393 -1.457 319 HE2 LYS 41 HE2 LYS 41 -17.802 -12.833 -0.412 320 HE3 LYS 41 HE3 LYS 41 -16.965 -11.467 -1.172 321 HZ1 LYS 41 HZ1 LYS 41 -17.665 -11.429 1.687 322 HZ2 LYS 41 HZ2 LYS 41 -16.479 -10.571 0.870 323 HZ3 LYS 41 HZ3 LYS 41 -16.312 -12.177 1.154 324 H GLN 42 H GLN 42 -19.590 -6.906 0.243 325 HA GLN 42 HA GLN 42 -22.389 -6.632 -0.599 326 HB2 GLN 42 HB2 GLN 42 -21.134 -6.039 2.131 327 HB3 GLN 42 HB3 GLN 42 -22.830 -5.947 1.728 328 HG2 GLN 42 HG2 GLN 42 -22.916 -8.003 2.567 329 HG3 GLN 42 HG3 GLN 42 -22.531 -8.460 0.923 330 HE21 GLN 42 HE21 GLN 42 -19.579 -7.209 2.392 331 HE22 GLN 42 HE22 GLN 42 -19.114 -8.693 3.159 332 H THR 43 H THR 43 -19.713 -4.469 0.298 333 HA THR 43 HA THR 43 -21.437 -2.173 -0.551 334 HB THR 43 HB THR 43 -20.905 -2.249 1.838 335 HG1 THR 43 HG1 THR 43 -20.205 -0.226 2.024 336 HG21 THR 43 HG21 THR 43 -18.805 -3.351 1.961 337 HG22 THR 43 HG22 THR 43 -18.542 -1.712 2.531 338 HG23 THR 43 HG23 THR 43 -18.017 -2.147 0.908 339 H GLN 44 H GLN 44 -18.671 -3.938 -1.511 340 HA GLN 44 HA GLN 44 -16.947 -3.611 -2.946 341 HB2 GLN 44 HB2 GLN 44 -18.691 -1.481 -4.218 342 HB3 GLN 44 HB3 GLN 44 -17.337 -2.310 -4.960 343 HG2 GLN 44 HG2 GLN 44 -19.909 -3.656 -4.054 344 HG3 GLN 44 HG3 GLN 44 -19.547 -3.111 -5.696 345 HE21 GLN 44 HE21 GLN 44 -20.186 -5.779 -4.754 346 HE22 GLN 44 HE22 GLN 44 -18.881 -6.848 -5.193 347 H LEU 45 H LEU 45 -16.547 -2.328 -0.490 348 HA LEU 45 HA LEU 45 -15.142 0.200 -1.223 349 HB2 LEU 45 HB2 LEU 45 -16.286 -0.648 1.471 350 HB3 LEU 45 HB3 LEU 45 -15.359 0.811 1.176 351 HG LEU 45 HG LEU 45 -18.053 0.193 -0.095 352 HD11 LEU 45 HD11 LEU 45 -18.935 1.935 1.382 353 HD12 LEU 45 HD12 LEU 45 -17.327 2.170 2.110 354 HD13 LEU 45 HD13 LEU 45 -18.206 0.627 2.313 355 HD21 LEU 45 HD21 LEU 45 -17.971 2.581 -0.798 356 HD22 LEU 45 HD22 LEU 45 -16.744 1.563 -1.563 357 HD23 LEU 45 HD23 LEU 45 -16.287 2.653 -0.222 358 H ASN 46 H ASN 46 -13.201 0.626 -0.184 359 HA ASN 46 HA ASN 46 -11.359 -1.570 0.054 360 HB2 ASN 46 HB2 ASN 46 -11.205 1.326 1.024 361 HB3 ASN 46 HB3 ASN 46 -9.879 0.242 1.079 362 HD21 ASN 46 HD21 ASN 46 -9.704 2.656 -0.264 363 HD22 ASN 46 HD22 ASN 46 -9.920 2.515 -1.986 364 H ARG 47 H ARG 47 -10.705 -2.718 1.959 365 HA ARG 47 HA ARG 47 -12.418 -2.545 4.278 366 HB2 ARG 47 HB2 ARG 47 -9.966 -4.057 3.490 367 HB3 ARG 47 HB3 ARG 47 -10.166 -3.862 5.195 368 HG2 ARG 47 HG2 ARG 47 -12.406 -4.940 3.442 369 HG3 ARG 47 HG3 ARG 47 -11.174 -5.969 4.180 370 HD2 ARG 47 HD2 ARG 47 -13.184 -4.259 5.685 371 HD3 ARG 47 HD3 ARG 47 -13.174 -6.024 5.476 372 HE ARG 47 HE ARG 47 -10.816 -4.780 6.756 373 HH11 ARG 47 HH11 ARG 47 -13.894 -6.523 7.458 374 HH12 ARG 47 HH12 ARG 47 -13.243 -7.135 8.958 375 HH21 ARG 47 HH21 ARG 47 -10.094 -5.595 8.645 376 HH22 ARG 47 HH22 ARG 47 -10.987 -6.795 9.530 377 H GLY 48 H GLY 48 -9.362 -0.907 3.500 378 HA2 GLY 48 HA2 GLY 48 -9.234 1.189 4.942 379 HA3 GLY 48 HA3 GLY 48 -9.201 0.104 6.310 380 H PHE 49 H PHE 49 -7.482 -1.762 4.233 381 HA PHE 49 HA PHE 49 -5.157 -0.104 3.872 382 HB2 PHE 49 HB2 PHE 49 -3.708 -1.950 5.070 383 HB3 PHE 49 HB3 PHE 49 -4.582 -0.869 6.131 384 HD1 PHE 49 HD1 PHE 49 -4.994 -4.204 4.455 385 HD2 PHE 49 HD2 PHE 49 -5.733 -1.816 7.960 386 HE1 PHE 49 HE1 PHE 49 -6.039 -6.166 5.577 387 HE2 PHE 49 HE2 PHE 49 -6.679 -3.790 9.104 388 HZ PHE 49 HZ PHE 49 -6.882 -5.974 7.879 389 H ALA 50 H ALA 50 -3.461 -1.392 2.733 390 HA ALA 50 HA ALA 50 -4.611 -3.586 1.108 391 HB1 ALA 50 HB1 ALA 50 -3.698 -2.575 -0.952 392 HB2 ALA 50 HB2 ALA 50 -4.866 -1.464 -0.226 393 HB3 ALA 50 HB3 ALA 50 -3.126 -1.169 -0.039 394 H PHE 51 H PHE 51 -3.155 -5.022 0.422 395 HA PHE 51 HA PHE 51 -0.383 -4.898 1.485 396 HB2 PHE 51 HB2 PHE 51 -2.164 -7.037 0.283 397 HB3 PHE 51 HB3 PHE 51 -0.422 -7.243 0.400 398 HD1 PHE 51 HD1 PHE 51 -0.141 -9.015 1.935 399 HD2 PHE 51 HD2 PHE 51 -2.802 -5.778 3.002 400 HE1 PHE 51 HE1 PHE 51 -0.387 -9.941 4.201 401 HE2 PHE 51 HE2 PHE 51 -3.072 -6.746 5.239 402 HZ PHE 51 HZ PHE 51 -1.874 -8.836 5.853 403 H ILE 52 H ILE 52 1.104 -4.078 0.096 404 HA ILE 52 HA ILE 52 0.618 -4.130 -2.855 405 HB ILE 52 HB ILE 52 2.536 -2.400 -1.233 406 HG12 ILE 52 HG12 ILE 52 0.270 -1.684 -0.759 407 HG13 ILE 52 HG13 ILE 52 1.134 -0.497 -1.730 408 HG21 ILE 52 HG21 ILE 52 1.821 -2.357 -4.198 409 HG22 ILE 52 HG22 ILE 52 2.779 -1.125 -3.372 410 HG23 ILE 52 HG23 ILE 52 3.392 -2.772 -3.481 411 HD11 ILE 52 HD11 ILE 52 -0.102 -1.143 -3.730 412 HD12 ILE 52 HD12 ILE 52 -0.866 -2.494 -2.861 413 HD13 ILE 52 HD13 ILE 52 -1.243 -0.814 -2.416 414 H GLN 53 H GLN 53 1.670 -5.810 -3.773 415 HA GLN 53 HA GLN 53 3.960 -7.065 -2.518 416 HB2 GLN 53 HB2 GLN 53 2.220 -8.259 -3.959 417 HB3 GLN 53 HB3 GLN 53 2.918 -7.434 -5.345 418 HG2 GLN 53 HG2 GLN 53 4.294 -9.144 -5.595 419 HG3 GLN 53 HG3 GLN 53 5.148 -8.570 -4.172 420 HE21 GLN 53 HE21 GLN 53 4.502 -9.516 -2.012 421 HE22 GLN 53 HE22 GLN 53 3.886 -11.156 -2.018 422 H LEU 54 H LEU 54 6.122 -6.841 -3.228 423 HA LEU 54 HA LEU 54 6.911 -4.557 -4.974 424 HB2 LEU 54 HB2 LEU 54 8.079 -5.984 -2.549 425 HB3 LEU 54 HB3 LEU 54 9.174 -5.252 -3.682 426 HG LEU 54 HG LEU 54 8.764 -3.819 -1.814 427 HD11 LEU 54 HD11 LEU 54 7.626 -2.593 -4.333 428 HD12 LEU 54 HD12 LEU 54 9.344 -2.915 -4.031 429 HD13 LEU 54 HD13 LEU 54 8.473 -1.767 -3.006 430 HD21 LEU 54 HD21 LEU 54 5.883 -3.494 -2.760 431 HD22 LEU 54 HD22 LEU 54 6.676 -2.672 -1.399 432 HD23 LEU 54 HD23 LEU 54 6.386 -4.421 -1.330 433 H SER 55 H SER 55 9.062 -5.059 -6.160 434 HA SER 55 HA SER 55 9.055 -7.548 -7.555 435 HB2 SER 55 HB2 SER 55 11.188 -5.400 -7.186 436 HB3 SER 55 HB3 SER 55 11.399 -6.819 -8.202 437 HG SER 55 HG SER 55 10.718 -4.997 -9.361 438 H THR 56 H THR 56 10.760 -6.509 -4.549 439 HA THR 56 HA THR 56 11.514 -9.290 -4.141 440 HB THR 56 HB THR 56 13.906 -8.611 -3.576 441 HG1 THR 56 HG1 THR 56 13.199 -6.438 -5.242 442 HG21 THR 56 HG21 THR 56 13.357 -8.431 -6.554 443 HG22 THR 56 HG22 THR 56 13.266 -9.934 -5.620 444 HG23 THR 56 HG23 THR 56 14.789 -9.058 -5.711 445 H ILE 57 H ILE 57 12.120 -9.711 -1.995 446 HA ILE 57 HA ILE 57 11.061 -8.363 0.115 447 HB ILE 57 HB ILE 57 12.587 -9.666 1.532 448 HG12 ILE 57 HG12 ILE 57 14.136 -11.323 0.022 449 HG13 ILE 57 HG13 ILE 57 14.314 -9.850 -0.915 450 HG21 ILE 57 HG21 ILE 57 10.654 -10.739 0.399 451 HG22 ILE 57 HG22 ILE 57 11.730 -11.319 -0.889 452 HG23 ILE 57 HG23 ILE 57 11.948 -11.862 0.787 453 HD11 ILE 57 HD11 ILE 57 16.102 -10.030 0.739 454 HD12 ILE 57 HD12 ILE 57 15.057 -8.684 1.229 455 HD13 ILE 57 HD13 ILE 57 14.927 -10.254 2.050 456 H VAL 58 H VAL 58 14.204 -7.684 -1.401 457 HA VAL 58 HA VAL 58 15.291 -5.973 0.554 458 HB VAL 58 HB VAL 58 15.655 -5.958 -2.482 459 HG11 VAL 58 HG11 VAL 58 17.904 -5.067 -1.983 460 HG12 VAL 58 HG12 VAL 58 16.655 -3.953 -1.431 461 HG13 VAL 58 HG13 VAL 58 17.505 -4.989 -0.265 462 HG21 VAL 58 HG21 VAL 58 17.642 -7.406 -1.980 463 HG22 VAL 58 HG22 VAL 58 17.122 -7.508 -0.290 464 HG23 VAL 58 HG23 VAL 58 16.126 -8.205 -1.582 465 H GLU 59 H GLU 59 13.165 -5.274 -2.272 466 HA GLU 59 HA GLU 59 13.148 -2.440 -1.619 467 HB2 GLU 59 HB2 GLU 59 11.472 -3.989 -3.617 468 HB3 GLU 59 HB3 GLU 59 11.667 -2.230 -3.535 469 HG2 GLU 59 HG2 GLU 59 13.841 -4.278 -4.157 470 HG3 GLU 59 HG3 GLU 59 13.076 -3.202 -5.298 471 H ALA 60 H ALA 60 11.402 -5.201 -0.453 472 HA ALA 60 HA ALA 60 9.131 -3.627 0.473 473 HB1 ALA 60 HB1 ALA 60 10.114 -6.265 1.584 474 HB2 ALA 60 HB2 ALA 60 8.532 -5.487 1.833 475 HB3 ALA 60 HB3 ALA 60 8.979 -6.074 0.220 476 H ALA 61 H ALA 61 12.454 -3.700 1.350 477 HA ALA 61 HA ALA 61 11.876 -2.922 4.165 478 HB1 ALA 61 HB1 ALA 61 14.075 -3.957 4.625 479 HB2 ALA 61 HB2 ALA 61 12.921 -5.107 3.918 480 HB3 ALA 61 HB3 ALA 61 14.211 -4.419 2.915 481 H GLN 62 H GLN 62 14.388 -2.363 1.608 482 HA GLN 62 HA GLN 62 15.492 0.000 2.903 483 HB2 GLN 62 HB2 GLN 62 15.614 -1.189 0.102 484 HB3 GLN 62 HB3 GLN 62 16.197 0.441 0.402 485 HG2 GLN 62 HG2 GLN 62 17.992 -1.222 0.411 486 HG3 GLN 62 HG3 GLN 62 17.895 -0.284 1.902 487 HE21 GLN 62 HE21 GLN 62 16.126 -3.219 0.738 488 HE22 GLN 62 HE22 GLN 62 16.438 -4.163 2.156 489 H LEU 63 H LEU 63 13.439 -0.473 0.016 490 HA LEU 63 HA LEU 63 12.855 2.147 -0.475 491 HB2 LEU 63 HB2 LEU 63 12.051 -0.315 -1.521 492 HB3 LEU 63 HB3 LEU 63 10.533 0.391 -0.966 493 HG LEU 63 HG LEU 63 11.659 2.546 -2.218 494 HD11 LEU 63 HD11 LEU 63 12.969 1.867 -4.115 495 HD12 LEU 63 HD12 LEU 63 12.647 0.163 -3.788 496 HD13 LEU 63 HD13 LEU 63 13.659 1.135 -2.695 497 HD21 LEU 63 HD21 LEU 63 9.392 1.462 -2.624 498 HD22 LEU 63 HD22 LEU 63 10.191 0.332 -3.728 499 HD23 LEU 63 HD23 LEU 63 10.162 2.084 -4.075 500 H LEU 64 H LEU 64 11.151 0.018 1.760 501 HA LEU 64 HA LEU 64 8.929 1.422 2.507 502 HB2 LEU 64 HB2 LEU 64 9.744 -0.788 3.343 503 HB3 LEU 64 HB3 LEU 64 11.008 0.009 4.248 504 HG LEU 64 HG LEU 64 9.436 -0.838 5.706 505 HD11 LEU 64 HD11 LEU 64 10.380 1.413 6.324 506 HD12 LEU 64 HD12 LEU 64 8.894 0.934 7.157 507 HD13 LEU 64 HD13 LEU 64 8.808 2.107 5.846 508 HD21 LEU 64 HD21 LEU 64 7.490 -1.062 4.375 509 HD22 LEU 64 HD22 LEU 64 7.345 0.692 4.180 510 HD23 LEU 64 HD23 LEU 64 7.010 -0.054 5.761 511 H GLN 65 H GLN 65 12.286 2.083 3.616 512 HA GLN 65 HA GLN 65 11.279 4.342 5.251 513 HB2 GLN 65 HB2 GLN 65 13.533 4.540 6.118 514 HB3 GLN 65 HB3 GLN 65 12.803 2.970 6.427 515 HG2 GLN 65 HG2 GLN 65 14.198 1.901 4.767 516 HG3 GLN 65 HG3 GLN 65 14.851 3.459 4.217 517 HE21 GLN 65 HE21 GLN 65 16.946 2.055 4.786 518 HE22 GLN 65 HE22 GLN 65 17.441 2.189 6.481 519 H ILE 66 H ILE 66 13.215 3.713 2.314 520 HA ILE 66 HA ILE 66 14.099 6.399 1.929 521 HB ILE 66 HB ILE 66 13.410 4.318 -0.172 522 HG12 ILE 66 HG12 ILE 66 16.149 4.953 0.980 523 HG13 ILE 66 HG13 ILE 66 15.177 3.654 1.615 524 HG21 ILE 66 HG21 ILE 66 15.189 6.794 -0.377 525 HG22 ILE 66 HG22 ILE 66 14.922 5.598 -1.663 526 HG23 ILE 66 HG23 ILE 66 13.591 6.606 -1.121 527 HD11 ILE 66 HD11 ILE 66 16.238 3.840 -1.232 528 HD12 ILE 66 HD12 ILE 66 16.755 2.737 0.051 529 HD13 ILE 66 HD13 ILE 66 15.130 2.579 -0.650 530 H LEU 67 H LEU 67 11.081 4.738 0.835 531 HA LEU 67 HA LEU 67 10.067 7.095 -0.438 532 HB2 LEU 67 HB2 LEU 67 8.581 4.651 0.637 533 HB3 LEU 67 HB3 LEU 67 7.904 5.863 -0.428 534 HG LEU 67 HG LEU 67 9.513 3.484 -1.021 535 HD11 LEU 67 HD11 LEU 67 7.793 5.286 -2.754 536 HD12 LEU 67 HD12 LEU 67 7.261 3.870 -1.836 537 HD13 LEU 67 HD13 LEU 67 8.375 3.644 -3.168 538 HD21 LEU 67 HD21 LEU 67 11.363 4.953 -1.601 539 HD22 LEU 67 HD22 LEU 67 10.271 6.077 -2.458 540 HD23 LEU 67 HD23 LEU 67 10.573 4.447 -3.076 541 H GLN 68 H GLN 68 9.980 5.939 2.891 542 HA GLN 68 HA GLN 68 7.945 7.744 3.796 543 HB2 GLN 68 HB2 GLN 68 9.363 5.675 4.906 544 HB3 GLN 68 HB3 GLN 68 10.184 7.044 5.653 545 HG2 GLN 68 HG2 GLN 68 8.039 7.891 6.481 546 HG3 GLN 68 HG3 GLN 68 7.169 6.625 5.605 547 HE21 GLN 68 HE21 GLN 68 8.381 4.257 6.194 548 HE22 GLN 68 HE22 GLN 68 8.164 3.982 7.914 549 H ALA 69 H ALA 69 11.365 8.205 2.951 550 HA ALA 69 HA ALA 69 11.496 10.849 4.242 551 HB1 ALA 69 HB1 ALA 69 13.422 9.406 2.360 552 HB2 ALA 69 HB2 ALA 69 13.724 10.894 3.242 553 HB3 ALA 69 HB3 ALA 69 13.485 9.392 4.140 554 H LEU 70 H LEU 70 10.648 9.504 1.114 555 HA LEU 70 HA LEU 70 11.087 12.101 -0.232 556 HB2 LEU 70 HB2 LEU 70 10.627 9.310 -1.365 557 HB3 LEU 70 HB3 LEU 70 10.968 10.752 -2.309 558 HG LEU 70 HG LEU 70 12.841 9.346 -0.398 559 HD11 LEU 70 HD11 LEU 70 13.054 9.910 -3.371 560 HD12 LEU 70 HD12 LEU 70 12.550 8.366 -2.656 561 HD13 LEU 70 HD13 LEU 70 14.187 8.972 -2.371 562 HD21 LEU 70 HD21 LEU 70 13.229 12.014 -1.810 563 HD22 LEU 70 HD22 LEU 70 14.543 11.050 -1.102 564 HD23 LEU 70 HD23 LEU 70 13.273 11.680 -0.058 565 H HIS 71 H HIS 71 9.748 12.625 -1.970 566 HA HIS 71 HA HIS 71 7.938 13.504 -2.871 567 HB2 HIS 71 HB2 HIS 71 6.737 10.922 -1.947 568 HB3 HIS 71 HB3 HIS 71 5.655 12.193 -2.411 569 HD1 HIS 71 HD1 HIS 71 5.306 12.592 -5.013 570 HD2 HIS 71 HD2 HIS 71 8.587 10.122 -3.972 571 HE1 HIS 71 HE1 HIS 71 6.161 11.568 -7.164 572 HA PRO 72 HA PRO 72 6.083 15.981 0.321 573 HB2 PRO 72 HB2 PRO 72 3.884 17.068 -0.894 574 HB3 PRO 72 HB3 PRO 72 5.569 17.511 -1.310 575 HG2 PRO 72 HG2 PRO 72 3.736 15.565 -2.723 576 HG3 PRO 72 HG3 PRO 72 4.741 16.849 -3.453 577 HD2 PRO 72 HD2 PRO 72 5.546 14.229 -3.315 578 HD3 PRO 72 HD3 PRO 72 6.692 15.584 -3.226 579 HA PRO 73 HA PRO 73 3.651 13.354 2.478 580 HB2 PRO 73 HB2 PRO 73 1.857 14.802 3.981 581 HB3 PRO 73 HB3 PRO 73 3.630 14.782 4.238 582 HG2 PRO 73 HG2 PRO 73 2.030 16.816 2.647 583 HG3 PRO 73 HG3 PRO 73 3.253 17.125 3.918 584 HD2 PRO 73 HD2 PRO 73 3.956 17.223 1.341 585 HD3 PRO 73 HD3 PRO 73 5.036 16.407 2.511 586 H LEU 74 H LEU 74 2.180 11.850 1.916 587 HA LEU 74 HA LEU 74 0.145 12.589 -0.024 588 HB2 LEU 74 HB2 LEU 74 1.961 10.618 -0.037 589 HB3 LEU 74 HB3 LEU 74 0.755 9.768 0.915 590 HG LEU 74 HG LEU 74 0.547 9.201 -1.357 591 HD11 LEU 74 HD11 LEU 74 -1.675 9.569 -0.194 592 HD12 LEU 74 HD12 LEU 74 -1.711 9.607 -1.957 593 HD13 LEU 74 HD13 LEU 74 -1.788 11.121 -1.055 594 HD21 LEU 74 HD21 LEU 74 0.053 10.869 -3.152 595 HD22 LEU 74 HD22 LEU 74 1.627 11.121 -2.383 596 HD23 LEU 74 HD23 LEU 74 0.238 12.174 -2.008 597 H THR 75 H THR 75 -1.952 12.845 0.515 598 HA THR 75 HA THR 75 -3.021 11.383 2.809 599 HB THR 75 HB THR 75 -3.150 14.387 2.730 600 HG1 THR 75 HG1 THR 75 -1.185 12.740 3.791 601 HG21 THR 75 HG21 THR 75 -3.838 14.305 5.038 602 HG22 THR 75 HG22 THR 75 -3.560 12.568 5.115 603 HG23 THR 75 HG23 THR 75 -4.875 13.217 4.103 604 H ILE 76 H ILE 76 -4.471 10.412 1.497 605 HA ILE 76 HA ILE 76 -6.256 12.044 -0.227 606 HB ILE 76 HB ILE 76 -6.183 9.017 0.141 607 HG12 ILE 76 HG12 ILE 76 -4.687 10.825 -1.816 608 HG13 ILE 76 HG13 ILE 76 -4.033 9.629 -0.687 609 HG21 ILE 76 HG21 ILE 76 -7.493 9.000 -1.943 610 HG22 ILE 76 HG22 ILE 76 -8.322 9.976 -0.749 611 HG23 ILE 76 HG23 ILE 76 -7.385 10.763 -2.052 612 HD11 ILE 76 HD11 ILE 76 -5.331 7.883 -2.032 613 HD12 ILE 76 HD12 ILE 76 -5.442 9.143 -3.287 614 HD13 ILE 76 HD13 ILE 76 -3.853 8.583 -2.746 615 H ASP 77 H ASP 77 -8.458 12.293 0.350 616 HA ASP 77 HA ASP 77 -10.232 12.524 1.787 617 HB2 ASP 77 HB2 ASP 77 -9.510 9.603 2.149 618 HB3 ASP 77 HB3 ASP 77 -10.959 10.327 2.836 619 H GLY 78 H GLY 78 -7.661 13.317 2.966 620 HA2 GLY 78 HA2 GLY 78 -6.907 14.111 4.993 621 HA3 GLY 78 HA3 GLY 78 -8.471 13.687 5.694 622 H LYS 79 H LYS 79 -6.690 11.066 4.173 623 HA LYS 79 HA LYS 79 -5.820 10.032 6.835 624 HB2 LYS 79 HB2 LYS 79 -6.490 8.419 4.356 625 HB3 LYS 79 HB3 LYS 79 -6.137 7.870 5.988 626 HG2 LYS 79 HG2 LYS 79 -8.729 8.831 4.824 627 HG3 LYS 79 HG3 LYS 79 -8.351 7.410 5.757 628 HD2 LYS 79 HD2 LYS 79 -8.069 8.856 7.812 629 HD3 LYS 79 HD3 LYS 79 -8.602 10.240 6.832 630 HE2 LYS 79 HE2 LYS 79 -10.574 9.616 7.857 631 HE3 LYS 79 HE3 LYS 79 -10.688 8.833 6.267 632 HZ1 LYS 79 HZ1 LYS 79 -9.954 7.587 8.848 633 HZ2 LYS 79 HZ2 LYS 79 -9.826 6.798 7.389 634 HZ3 LYS 79 HZ3 LYS 79 -11.287 7.253 7.919 635 H THR 80 H THR 80 -3.584 10.442 6.950 636 HA THR 80 HA THR 80 -1.990 10.597 4.602 637 HB THR 80 HB THR 80 -0.881 10.062 7.352 638 HG1 THR 80 HG1 THR 80 -0.953 12.488 7.381 639 HG21 THR 80 HG21 THR 80 0.033 11.969 5.147 640 HG22 THR 80 HG22 THR 80 0.637 10.311 5.326 641 HG23 THR 80 HG23 THR 80 0.918 11.490 6.603 642 H ILE 81 H ILE 81 -1.074 8.929 3.423 643 HA ILE 81 HA ILE 81 -1.766 6.222 4.120 644 HB ILE 81 HB ILE 81 0.159 7.158 1.951 645 HG12 ILE 81 HG12 ILE 81 -1.882 8.424 1.642 646 HG13 ILE 81 HG13 ILE 81 -1.712 7.217 0.372 647 HG21 ILE 81 HG21 ILE 81 -0.652 5.071 0.814 648 HG22 ILE 81 HG22 ILE 81 0.236 4.769 2.316 649 HG23 ILE 81 HG23 ILE 81 -1.531 4.666 2.315 650 HD11 ILE 81 HD11 ILE 81 -3.456 5.860 1.339 651 HD12 ILE 81 HD12 ILE 81 -3.551 6.895 2.796 652 HD13 ILE 81 HD13 ILE 81 -4.044 7.521 1.212 653 H ASN 82 H ASN 82 -0.690 4.902 5.609 654 HA ASN 82 HA ASN 82 1.973 5.658 6.557 655 HB2 ASN 82 HB2 ASN 82 0.081 3.412 7.264 656 HB3 ASN 82 HB3 ASN 82 1.592 3.764 8.087 657 HD21 ASN 82 HD21 ASN 82 -0.001 3.721 9.921 658 HD22 ASN 82 HD22 ASN 82 -0.810 5.189 10.295 659 H VAL 83 H VAL 83 3.371 3.643 6.933 660 HA VAL 83 HA VAL 83 3.081 1.551 4.858 661 HB VAL 83 HB VAL 83 5.468 1.683 4.254 662 HG11 VAL 83 HG11 VAL 83 3.915 4.136 3.383 663 HG12 VAL 83 HG12 VAL 83 5.126 3.204 2.476 664 HG13 VAL 83 HG13 VAL 83 3.560 2.487 2.839 665 HG21 VAL 83 HG21 VAL 83 5.386 4.560 5.288 666 HG22 VAL 83 HG22 VAL 83 6.271 3.247 6.073 667 HG23 VAL 83 HG23 VAL 83 6.728 3.743 4.447 668 H GLU 84 H GLU 84 2.382 0.325 6.505 669 HA GLU 84 HA GLU 84 4.370 -0.511 8.581 670 HB2 GLU 84 HB2 GLU 84 1.523 -1.475 7.946 671 HB3 GLU 84 HB3 GLU 84 2.474 -2.108 9.278 672 HG2 GLU 84 HG2 GLU 84 1.997 0.834 9.220 673 HG3 GLU 84 HG3 GLU 84 0.582 -0.134 9.443 674 H PHE 85 H PHE 85 4.956 -2.871 8.746 675 HA PHE 85 HA PHE 85 5.385 -4.013 6.110 676 HB2 PHE 85 HB2 PHE 85 6.259 -4.583 8.886 677 HB3 PHE 85 HB3 PHE 85 5.959 -6.036 7.958 678 HD1 PHE 85 HD1 PHE 85 8.618 -4.397 9.018 679 HD2 PHE 85 HD2 PHE 85 6.815 -5.362 5.188 680 HE1 PHE 85 HE1 PHE 85 10.829 -4.292 7.919 681 HE2 PHE 85 HE2 PHE 85 9.014 -5.282 4.146 682 HZ PHE 85 HZ PHE 85 11.025 -4.704 5.470 683 H ALA 86 H ALA 86 4.580 -5.912 5.222 684 HA ALA 86 HA ALA 86 2.164 -7.135 6.445 685 HB1 ALA 86 HB1 ALA 86 1.870 -6.446 4.086 686 HB2 ALA 86 HB2 ALA 86 3.343 -7.311 3.657 687 HB3 ALA 86 HB3 ALA 86 1.924 -8.213 4.212 688 H LYS 87 H LYS 87 3.062 -8.542 7.998 689 HA LYS 87 HA LYS 87 4.962 -10.619 7.223 690 HB2 LYS 87 HB2 LYS 87 4.167 -11.787 9.210 691 HB3 LYS 87 HB3 LYS 87 4.574 -10.116 9.564 692 HG2 LYS 87 HG2 LYS 87 2.658 -10.265 10.768 693 HG3 LYS 87 HG3 LYS 87 1.959 -9.712 9.255 694 HD2 LYS 87 HD2 LYS 87 1.408 -12.091 8.672 695 HD3 LYS 87 HD3 LYS 87 2.120 -12.614 10.193 696 HE2 LYS 87 HE2 LYS 87 -0.287 -10.747 9.902 697 HE3 LYS 87 HE3 LYS 87 -0.364 -12.486 10.196 698 HZ1 LYS 87 HZ1 LYS 87 0.675 -10.442 12.053 699 HZ2 LYS 87 HZ2 LYS 87 0.925 -12.064 12.265 700 HZ3 LYS 87 HZ3 LYS 87 -0.566 -11.497 12.283 701 H GLY 88 H GLY 88 4.396 -12.835 6.599 702 HA2 GLY 88 HA2 GLY 88 1.876 -12.988 5.064 703 HA3 GLY 88 HA3 GLY 88 3.227 -14.111 5.034 704 H SER 89 H SER 89 3.418 -14.368 7.932 705 HA SER 89 HA SER 89 2.949 -15.815 9.497 706 HB2 SER 89 HB2 SER 89 0.111 -15.741 8.485 707 HB3 SER 89 HB3 SER 89 0.660 -16.855 9.735 708 HG SER 89 HG SER 89 1.277 -15.147 11.020 Start of MODEL 9 1 H1 GLY 1 H GLY 1 8.353 -6.389 7.742 2 HA2 GLY 1 HA2 GLY 1 8.691 -8.717 8.607 3 HA3 GLY 1 HA3 GLY 1 7.361 -9.173 7.539 4 H HIS 2 H HIS 2 7.717 -9.149 5.229 5 HA HIS 2 HA HIS 2 10.120 -8.846 3.872 6 HB2 HIS 2 HB2 HIS 2 10.968 -11.064 3.873 7 HB3 HIS 2 HB3 HIS 2 11.118 -10.423 5.479 8 HD1 HIS 2 HD1 HIS 2 7.667 -11.493 5.736 9 HD2 HIS 2 HD2 HIS 2 11.376 -13.463 5.177 10 HE1 HIS 2 HE1 HIS 2 7.293 -13.938 6.261 11 H MET 3 H MET 3 9.841 -11.317 2.408 12 HA MET 3 HA MET 3 8.552 -12.522 1.029 13 HB2 MET 3 HB2 MET 3 7.210 -12.397 3.397 14 HB3 MET 3 HB3 MET 3 6.003 -11.635 2.380 15 HG2 MET 3 HG2 MET 3 5.550 -13.936 2.519 16 HG3 MET 3 HG3 MET 3 6.157 -13.646 0.884 17 HE1 MET 3 HE1 MET 3 5.925 -16.057 3.372 18 HE2 MET 3 HE2 MET 3 5.975 -16.551 1.654 19 HE3 MET 3 HE3 MET 3 7.130 -17.215 2.816 20 H ASP 4 H ASP 4 9.255 -9.931 0.221 21 HA ASP 4 HA ASP 4 8.806 -8.106 -0.945 22 HB2 ASP 4 HB2 ASP 4 7.320 -9.090 -3.156 23 HB3 ASP 4 HB3 ASP 4 8.974 -8.684 -3.015 24 H THR 5 H THR 5 7.043 -8.067 1.282 25 HA THR 5 HA THR 5 4.750 -6.764 -0.098 26 HB THR 5 HB THR 5 4.326 -8.595 2.270 27 HG1 THR 5 HG1 THR 5 5.045 -9.795 0.349 28 HG21 THR 5 HG21 THR 5 2.456 -7.623 0.055 29 HG22 THR 5 HG22 THR 5 2.502 -6.913 1.679 30 HG23 THR 5 HG23 THR 5 2.025 -8.622 1.443 31 H ILE 6 H ILE 6 3.989 -4.912 0.705 32 HA ILE 6 HA ILE 6 4.796 -3.946 3.374 33 HB ILE 6 HB ILE 6 4.882 -2.203 0.873 34 HG12 ILE 6 HG12 ILE 6 7.310 -3.211 2.419 35 HG13 ILE 6 HG13 ILE 6 6.822 -3.834 0.868 36 HG21 ILE 6 HG21 ILE 6 4.423 -0.936 2.937 37 HG22 ILE 6 HG22 ILE 6 5.790 -1.726 3.754 38 HG23 ILE 6 HG23 ILE 6 6.037 -0.574 2.438 39 HD11 ILE 6 HD11 ILE 6 8.491 -2.255 0.300 40 HD12 ILE 6 HD12 ILE 6 6.979 -1.419 -0.039 41 HD13 ILE 6 HD13 ILE 6 7.901 -1.063 1.448 42 H ILE 7 H ILE 7 3.208 -2.056 3.983 43 HA ILE 7 HA ILE 7 0.560 -2.513 2.786 44 HB ILE 7 HB ILE 7 1.215 -2.013 5.702 45 HG12 ILE 7 HG12 ILE 7 0.096 -4.483 4.321 46 HG13 ILE 7 HG13 ILE 7 1.690 -4.310 5.048 47 HG21 ILE 7 HG21 ILE 7 -0.880 -0.873 5.124 48 HG22 ILE 7 HG22 ILE 7 -1.519 -2.393 4.446 49 HG23 ILE 7 HG23 ILE 7 -1.186 -2.212 6.182 50 HD11 ILE 7 HD11 ILE 7 -0.965 -4.357 6.531 51 HD12 ILE 7 HD12 ILE 7 0.308 -5.552 6.579 52 HD13 ILE 7 HD13 ILE 7 0.599 -3.958 7.289 53 H LEU 8 H LEU 8 -0.729 -0.699 2.451 54 HA LEU 8 HA LEU 8 0.343 2.001 3.092 55 HB2 LEU 8 HB2 LEU 8 -2.073 1.747 1.346 56 HB3 LEU 8 HB3 LEU 8 -0.794 2.899 1.423 57 HG LEU 8 HG LEU 8 -0.822 1.871 -0.697 58 HD11 LEU 8 HD11 LEU 8 1.369 2.449 0.370 59 HD12 LEU 8 HD12 LEU 8 1.478 1.234 -0.934 60 HD13 LEU 8 HD13 LEU 8 1.584 0.732 0.757 61 HD21 LEU 8 HD21 LEU 8 -0.065 -0.860 0.276 62 HD22 LEU 8 HD22 LEU 8 -1.020 -0.352 -1.139 63 HD23 LEU 8 HD23 LEU 8 -1.720 -0.344 0.493 64 H ARG 9 H ARG 9 -0.413 2.408 5.026 65 HA ARG 9 HA ARG 9 -2.945 1.409 6.166 66 HB2 ARG 9 HB2 ARG 9 -0.569 2.687 7.167 67 HB3 ARG 9 HB3 ARG 9 -1.890 3.813 7.456 68 HG2 ARG 9 HG2 ARG 9 -1.991 0.947 8.381 69 HG3 ARG 9 HG3 ARG 9 -1.259 2.244 9.310 70 HD2 ARG 9 HD2 ARG 9 -3.408 3.507 9.246 71 HD3 ARG 9 HD3 ARG 9 -4.165 2.077 8.523 72 HE ARG 9 HE ARG 9 -3.817 0.841 10.491 73 HH11 ARG 9 HH11 ARG 9 -2.634 4.177 11.000 74 HH12 ARG 9 HH12 ARG 9 -2.942 4.157 12.684 75 HH21 ARG 9 HH21 ARG 9 -3.669 0.706 12.799 76 HH22 ARG 9 HH22 ARG 9 -3.402 2.165 13.710 77 H ASN 10 H ASN 10 -4.545 3.128 6.972 78 HA ASN 10 HA ASN 10 -5.883 4.955 6.809 79 HB2 ASN 10 HB2 ASN 10 -3.202 6.119 5.942 80 HB3 ASN 10 HB3 ASN 10 -4.641 7.107 6.067 81 HD21 ASN 10 HD21 ASN 10 -2.415 7.625 7.450 82 HD22 ASN 10 HD22 ASN 10 -2.972 7.701 9.089 83 H LEU 11 H LEU 11 -5.807 3.140 4.514 84 HA LEU 11 HA LEU 11 -5.375 4.713 2.233 85 HB2 LEU 11 HB2 LEU 11 -5.075 2.153 2.969 86 HB3 LEU 11 HB3 LEU 11 -6.536 1.932 2.035 87 HG LEU 11 HG LEU 11 -5.450 2.687 0.064 88 HD11 LEU 11 HD11 LEU 11 -3.216 3.684 1.743 89 HD12 LEU 11 HD12 LEU 11 -4.173 4.536 0.507 90 HD13 LEU 11 HD13 LEU 11 -3.007 3.340 0.002 91 HD21 LEU 11 HD21 LEU 11 -3.647 1.124 -0.255 92 HD22 LEU 11 HD22 LEU 11 -5.189 0.520 0.306 93 HD23 LEU 11 HD23 LEU 11 -3.861 0.702 1.460 94 H ASN 12 H ASN 12 -7.843 5.470 3.519 95 HA ASN 12 HA ASN 12 -10.069 5.619 3.641 96 HB2 ASN 12 HB2 ASN 12 -9.116 7.463 2.219 97 HB3 ASN 12 HB3 ASN 12 -9.778 6.615 0.819 98 HD21 ASN 12 HD21 ASN 12 -11.744 7.655 0.358 99 HD22 ASN 12 HD22 ASN 12 -13.041 7.785 1.516 100 HA PRO 13 HA PRO 13 -12.569 2.289 1.848 101 HB2 PRO 13 HB2 PRO 13 -15.090 3.517 2.005 102 HB3 PRO 13 HB3 PRO 13 -14.300 2.533 3.283 103 HG2 PRO 13 HG2 PRO 13 -14.269 5.543 2.900 104 HG3 PRO 13 HG3 PRO 13 -14.561 4.622 4.413 105 HD2 PRO 13 HD2 PRO 13 -12.164 5.622 4.028 106 HD3 PRO 13 HD3 PRO 13 -12.268 3.916 4.483 107 H HIS 14 H HIS 14 -12.602 5.513 0.607 108 HA HIS 14 HA HIS 14 -13.518 4.561 -2.073 109 HB2 HIS 14 HB2 HIS 14 -14.341 7.019 -0.498 110 HB3 HIS 14 HB3 HIS 14 -14.580 6.877 -2.226 111 HD1 HIS 14 HD1 HIS 14 -16.182 4.896 -3.125 112 HD2 HIS 14 HD2 HIS 14 -16.196 5.769 1.007 113 HE1 HIS 14 HE1 HIS 14 -18.347 3.917 -2.179 114 H SER 15 H SER 15 -10.634 5.109 -0.908 115 HA SER 15 HA SER 15 -9.695 7.306 -2.525 116 HB2 SER 15 HB2 SER 15 -7.516 6.166 -2.311 117 HB3 SER 15 HB3 SER 15 -8.338 6.271 -0.744 118 HG SER 15 HG SER 15 -8.025 4.225 -0.677 119 H THR 16 H THR 16 -8.355 6.977 -4.528 120 HA THR 16 HA THR 16 -9.259 4.803 -6.297 121 HB THR 16 HB THR 16 -8.064 6.362 -7.983 122 HG1 THR 16 HG1 THR 16 -7.551 8.329 -7.340 123 HG21 THR 16 HG21 THR 16 -10.047 7.775 -8.215 124 HG22 THR 16 HG22 THR 16 -10.549 7.420 -6.543 125 HG23 THR 16 HG23 THR 16 -10.555 6.132 -7.768 126 H MET 17 H MET 17 -7.874 3.036 -6.167 127 HA MET 17 HA MET 17 -5.333 3.200 -4.859 128 HB2 MET 17 HB2 MET 17 -4.908 0.961 -5.626 129 HB3 MET 17 HB3 MET 17 -6.570 1.079 -5.078 130 HG2 MET 17 HG2 MET 17 -7.269 1.334 -7.491 131 HG3 MET 17 HG3 MET 17 -5.557 1.112 -7.928 132 HE1 MET 17 HE1 MET 17 -8.192 -0.612 -8.948 133 HE2 MET 17 HE2 MET 17 -6.550 -0.846 -9.590 134 HE3 MET 17 HE3 MET 17 -7.482 -2.242 -8.999 135 H ASP 18 H ASP 18 -6.308 3.682 -8.129 136 HA ASP 18 HA ASP 18 -4.025 3.784 -9.711 137 HB2 ASP 18 HB2 ASP 18 -6.402 3.963 -10.361 138 HB3 ASP 18 HB3 ASP 18 -6.539 5.506 -9.544 139 H SER 19 H SER 19 -5.475 6.477 -7.777 140 HA SER 19 HA SER 19 -3.282 8.280 -8.415 141 HB2 SER 19 HB2 SER 19 -5.505 8.513 -6.346 142 HB3 SER 19 HB3 SER 19 -4.490 9.806 -6.969 143 HG SER 19 HG SER 19 -5.422 8.834 -9.135 144 H ILE 20 H ILE 20 -4.074 6.080 -5.861 145 HA ILE 20 HA ILE 20 -2.017 6.943 -4.007 146 HB ILE 20 HB ILE 20 -3.357 4.289 -4.364 147 HG12 ILE 20 HG12 ILE 20 -3.833 6.217 -2.095 148 HG13 ILE 20 HG13 ILE 20 -4.809 6.236 -3.564 149 HG21 ILE 20 HG21 ILE 20 -1.095 4.090 -3.290 150 HG22 ILE 20 HG22 ILE 20 -1.664 5.155 -1.979 151 HG23 ILE 20 HG23 ILE 20 -2.398 3.560 -2.246 152 HD11 ILE 20 HD11 ILE 20 -5.640 4.941 -1.478 153 HD12 ILE 20 HD12 ILE 20 -5.858 4.225 -3.080 154 HD13 ILE 20 HD13 ILE 20 -4.561 3.650 -2.017 155 H LEU 21 H LEU 21 -1.989 4.374 -6.626 156 HA LEU 21 HA LEU 21 0.790 3.776 -6.187 157 HB2 LEU 21 HB2 LEU 21 -0.984 3.564 -8.695 158 HB3 LEU 21 HB3 LEU 21 0.627 2.871 -8.610 159 HG LEU 21 HG LEU 21 -1.521 2.085 -6.624 160 HD11 LEU 21 HD11 LEU 21 -2.244 0.275 -7.956 161 HD12 LEU 21 HD12 LEU 21 -1.033 0.626 -9.217 162 HD13 LEU 21 HD13 LEU 21 -2.393 1.731 -8.909 163 HD21 LEU 21 HD21 LEU 21 -0.163 0.115 -6.290 164 HD22 LEU 21 HD22 LEU 21 0.863 1.540 -6.118 165 HD23 LEU 21 HD23 LEU 21 0.930 0.593 -7.614 166 H GLY 22 H GLY 22 -0.762 6.126 -8.431 167 HA2 GLY 22 HA2 GLY 22 1.524 7.080 -9.731 168 HA3 GLY 22 HA3 GLY 22 0.140 8.093 -9.269 169 H ALA 23 H ALA 23 0.301 8.014 -6.485 170 HA ALA 23 HA ALA 23 2.368 9.875 -5.861 171 HB1 ALA 23 HB1 ALA 23 0.492 8.301 -4.080 172 HB2 ALA 23 HB2 ALA 23 1.620 9.520 -3.516 173 HB3 ALA 23 HB3 ALA 23 0.333 9.953 -4.651 174 H LEU 24 H LEU 24 2.185 6.284 -5.409 175 HA LEU 24 HA LEU 24 4.757 6.428 -4.005 176 HB2 LEU 24 HB2 LEU 24 3.880 4.358 -2.799 177 HB3 LEU 24 HB3 LEU 24 3.646 5.966 -2.256 178 HG LEU 24 HG LEU 24 1.559 4.862 -3.970 179 HD11 LEU 24 HD11 LEU 24 2.101 2.856 -2.858 180 HD12 LEU 24 HD12 LEU 24 0.620 3.479 -2.084 181 HD13 LEU 24 HD13 LEU 24 2.192 3.684 -1.287 182 HD21 LEU 24 HD21 LEU 24 0.231 6.266 -2.479 183 HD22 LEU 24 HD22 LEU 24 1.807 7.075 -2.684 184 HD23 LEU 24 HD23 LEU 24 1.484 6.161 -1.206 185 H ALA 25 H ALA 25 4.377 5.674 -6.923 186 HA ALA 25 HA ALA 25 5.907 3.125 -6.691 187 HB1 ALA 25 HB1 ALA 25 5.284 2.688 -9.039 188 HB2 ALA 25 HB2 ALA 25 3.875 2.739 -7.955 189 HB3 ALA 25 HB3 ALA 25 4.230 4.115 -9.019 190 HA PRO 26 HA PRO 26 9.097 5.954 -8.236 191 HB2 PRO 26 HB2 PRO 26 10.853 5.696 -6.154 192 HB3 PRO 26 HB3 PRO 26 9.573 6.954 -6.203 193 HG2 PRO 26 HG2 PRO 26 9.539 4.272 -4.781 194 HG3 PRO 26 HG3 PRO 26 9.053 5.860 -4.131 195 HD2 PRO 26 HD2 PRO 26 7.272 4.040 -5.122 196 HD3 PRO 26 HD3 PRO 26 7.037 5.785 -5.302 197 H TYR 27 H TYR 27 8.925 2.662 -6.833 198 HA TYR 27 HA TYR 27 11.217 1.876 -8.545 199 HB2 TYR 27 HB2 TYR 27 10.729 0.925 -5.703 200 HB3 TYR 27 HB3 TYR 27 12.020 0.461 -6.774 201 HD1 TYR 27 HD1 TYR 27 10.924 2.734 -4.280 202 HD2 TYR 27 HD2 TYR 27 13.746 2.311 -7.480 203 HE1 TYR 27 HE1 TYR 27 12.229 4.656 -3.372 204 HE2 TYR 27 HE2 TYR 27 15.031 4.252 -6.622 205 HH TYR 27 HH TYR 27 14.901 6.100 -5.191 206 H ALA 28 H ALA 28 8.174 0.862 -6.871 207 HA ALA 28 HA ALA 28 8.403 -1.818 -7.989 208 HB1 ALA 28 HB1 ALA 28 6.237 -2.256 -7.054 209 HB2 ALA 28 HB2 ALA 28 7.186 -1.351 -5.861 210 HB3 ALA 28 HB3 ALA 28 5.925 -0.516 -6.807 211 H VAL 29 H VAL 29 7.432 -2.758 -9.750 212 HA VAL 29 HA VAL 29 6.108 -0.833 -11.630 213 HB VAL 29 HB VAL 29 7.952 -3.119 -12.425 214 HG11 VAL 29 HG11 VAL 29 6.601 -0.850 -13.935 215 HG12 VAL 29 HG12 VAL 29 7.857 -1.893 -14.632 216 HG13 VAL 29 HG13 VAL 29 6.306 -2.584 -14.142 217 HG21 VAL 29 HG21 VAL 29 8.517 -0.119 -12.289 218 HG22 VAL 29 HG22 VAL 29 9.318 -1.388 -11.341 219 HG23 VAL 29 HG23 VAL 29 9.554 -1.328 -13.079 220 H LEU 30 H LEU 30 4.285 -1.509 -10.307 221 HA LEU 30 HA LEU 30 3.033 -4.025 -11.286 222 HB2 LEU 30 HB2 LEU 30 2.257 -2.788 -8.667 223 HB3 LEU 30 HB3 LEU 30 2.058 -4.442 -9.187 224 HG LEU 30 HG LEU 30 4.757 -3.193 -8.509 225 HD11 LEU 30 HD11 LEU 30 4.526 -4.121 -6.265 226 HD12 LEU 30 HD12 LEU 30 2.861 -4.609 -6.638 227 HD13 LEU 30 HD13 LEU 30 3.321 -2.883 -6.635 228 HD21 LEU 30 HD21 LEU 30 3.892 -6.102 -8.504 229 HD22 LEU 30 HD22 LEU 30 5.471 -5.474 -8.027 230 HD23 LEU 30 HD23 LEU 30 4.943 -5.324 -9.715 231 H SER 31 H SER 31 0.667 -3.841 -11.252 232 HA SER 31 HA SER 31 -0.655 -1.240 -11.048 233 HB2 SER 31 HB2 SER 31 -0.345 -2.637 -13.742 234 HB3 SER 31 HB3 SER 31 -1.626 -1.470 -13.387 235 HG SER 31 HG SER 31 0.254 -0.519 -14.373 236 H SER 32 H SER 32 -2.478 -1.628 -10.135 237 HA SER 32 HA SER 32 -4.341 -2.471 -9.293 238 HB2 SER 32 HB2 SER 32 -4.566 -3.781 -12.009 239 HB3 SER 32 HB3 SER 32 -5.897 -3.300 -10.924 240 HG SER 32 HG SER 32 -5.800 -1.534 -12.042 241 H SER 33 H SER 33 -3.084 -5.301 -11.101 242 HA SER 33 HA SER 33 -4.601 -7.252 -9.882 243 HB2 SER 33 HB2 SER 33 -1.763 -7.815 -10.741 244 HB3 SER 33 HB3 SER 33 -3.227 -8.769 -11.012 245 HG SER 33 HG SER 33 -2.250 -6.460 -12.336 246 H ASN 34 H ASN 34 -1.384 -6.107 -9.015 247 HA ASN 34 HA ASN 34 -1.080 -7.883 -6.706 248 HB2 ASN 34 HB2 ASN 34 0.579 -5.639 -7.867 249 HB3 ASN 34 HB3 ASN 34 0.934 -6.272 -6.282 250 HD21 ASN 34 HD21 ASN 34 1.743 -6.768 -9.556 251 HD22 ASN 34 HD22 ASN 34 2.466 -8.314 -9.217 252 H VAL 35 H VAL 35 -2.840 -5.002 -7.102 253 HA VAL 35 HA VAL 35 -1.952 -3.836 -4.544 254 HB VAL 35 HB VAL 35 -3.457 -2.597 -6.891 255 HG11 VAL 35 HG11 VAL 35 -3.831 -1.449 -4.749 256 HG12 VAL 35 HG12 VAL 35 -2.096 -1.402 -4.437 257 HG13 VAL 35 HG13 VAL 35 -2.785 -0.478 -5.795 258 HG21 VAL 35 HG21 VAL 35 -1.246 -1.570 -7.435 259 HG22 VAL 35 HG22 VAL 35 -0.480 -2.564 -6.178 260 HG23 VAL 35 HG23 VAL 35 -1.211 -3.308 -7.623 261 H ARG 36 H ARG 36 -3.096 -5.084 -3.162 262 HA ARG 36 HA ARG 36 -5.992 -5.507 -3.720 263 HB2 ARG 36 HB2 ARG 36 -4.260 -7.385 -3.636 264 HB3 ARG 36 HB3 ARG 36 -4.138 -7.104 -1.906 265 HG2 ARG 36 HG2 ARG 36 -5.569 -8.950 -2.266 266 HG3 ARG 36 HG3 ARG 36 -6.600 -7.632 -1.701 267 HD2 ARG 36 HD2 ARG 36 -7.509 -7.276 -3.898 268 HD3 ARG 36 HD3 ARG 36 -6.229 -8.211 -4.670 269 HE ARG 36 HE ARG 36 -8.616 -9.225 -3.259 270 HH11 ARG 36 HH11 ARG 36 -5.555 -10.070 -4.912 271 HH12 ARG 36 HH12 ARG 36 -6.020 -11.720 -5.137 272 HH21 ARG 36 HH21 ARG 36 -9.078 -11.489 -3.406 273 HH22 ARG 36 HH22 ARG 36 -7.903 -12.551 -4.109 274 H VAL 37 H VAL 37 -7.011 -3.689 -2.666 275 HA VAL 37 HA VAL 37 -6.260 -3.022 0.042 276 HB VAL 37 HB VAL 37 -8.883 -2.098 -1.081 277 HG11 VAL 37 HG11 VAL 37 -8.278 -1.261 1.094 278 HG12 VAL 37 HG12 VAL 37 -6.642 -0.940 0.593 279 HG13 VAL 37 HG13 VAL 37 -7.902 0.081 -0.034 280 HG21 VAL 37 HG21 VAL 37 -7.903 -0.210 -2.234 281 HG22 VAL 37 HG22 VAL 37 -6.289 -0.958 -2.149 282 HG23 VAL 37 HG23 VAL 37 -7.594 -1.730 -3.085 283 H ILE 38 H ILE 38 -7.084 -5.782 -0.299 284 HA ILE 38 HA ILE 38 -8.554 -7.395 0.358 285 HB ILE 38 HB ILE 38 -8.643 -5.734 2.880 286 HG12 ILE 38 HG12 ILE 38 -6.356 -5.513 2.306 287 HG13 ILE 38 HG13 ILE 38 -6.468 -6.715 3.566 288 HG21 ILE 38 HG21 ILE 38 -8.420 -8.755 2.502 289 HG22 ILE 38 HG22 ILE 38 -8.428 -7.888 4.061 290 HG23 ILE 38 HG23 ILE 38 -9.857 -7.876 3.035 291 HD11 ILE 38 HD11 ILE 38 -4.840 -7.407 1.901 292 HD12 ILE 38 HD12 ILE 38 -6.213 -8.528 1.853 293 HD13 ILE 38 HD13 ILE 38 -6.026 -7.282 0.596 294 H LYS 39 H LYS 39 -9.764 -5.366 -1.169 295 HA LYS 39 HA LYS 39 -11.833 -3.920 -0.086 296 HB2 LYS 39 HB2 LYS 39 -12.702 -3.729 -2.429 297 HB3 LYS 39 HB3 LYS 39 -11.010 -3.304 -2.234 298 HG2 LYS 39 HG2 LYS 39 -10.301 -4.931 -3.658 299 HG3 LYS 39 HG3 LYS 39 -11.327 -6.154 -2.931 300 HD2 LYS 39 HD2 LYS 39 -13.292 -5.172 -4.152 301 HD3 LYS 39 HD3 LYS 39 -12.161 -4.137 -5.033 302 HE2 LYS 39 HE2 LYS 39 -11.132 -5.963 -6.130 303 HE3 LYS 39 HE3 LYS 39 -11.680 -7.122 -4.919 304 HZ1 LYS 39 HZ1 LYS 39 -13.479 -5.788 -6.852 305 HZ2 LYS 39 HZ2 LYS 39 -13.905 -6.899 -5.728 306 HZ3 LYS 39 HZ3 LYS 39 -12.909 -7.328 -6.971 307 H ASP 40 H ASP 40 -14.110 -4.124 0.164 308 HA ASP 40 HA ASP 40 -14.564 -6.850 0.950 309 HB2 ASP 40 HB2 ASP 40 -15.313 -4.707 2.153 310 HB3 ASP 40 HB3 ASP 40 -16.675 -4.716 1.007 311 H LYS 41 H LYS 41 -16.529 -8.017 0.508 312 HA LYS 41 HA LYS 41 -17.119 -8.266 -2.399 313 HB2 LYS 41 HB2 LYS 41 -18.126 -10.430 -1.492 314 HB3 LYS 41 HB3 LYS 41 -16.358 -10.335 -1.494 315 HG2 LYS 41 HG2 LYS 41 -17.721 -9.457 1.038 316 HG3 LYS 41 HG3 LYS 41 -17.976 -11.120 0.595 317 HD2 LYS 41 HD2 LYS 41 -15.179 -9.967 0.669 318 HD3 LYS 41 HD3 LYS 41 -15.957 -10.559 2.136 319 HE2 LYS 41 HE2 LYS 41 -15.754 -12.269 -0.382 320 HE3 LYS 41 HE3 LYS 41 -14.479 -12.212 0.842 321 HZ1 LYS 41 HZ1 LYS 41 -16.072 -14.043 1.183 322 HZ2 LYS 41 HZ2 LYS 41 -17.265 -12.965 1.512 323 HZ3 LYS 41 HZ3 LYS 41 -15.896 -13.049 2.456 324 H GLN 42 H GLN 42 -18.588 -7.465 0.583 325 HA GLN 42 HA GLN 42 -21.360 -7.710 -0.465 326 HB2 GLN 42 HB2 GLN 42 -20.261 -7.272 2.317 327 HB3 GLN 42 HB3 GLN 42 -21.952 -7.531 1.949 328 HG2 GLN 42 HG2 GLN 42 -21.730 -9.782 1.571 329 HG3 GLN 42 HG3 GLN 42 -20.105 -9.683 0.955 330 HE21 GLN 42 HE21 GLN 42 -19.365 -8.042 3.609 331 HE22 GLN 42 HE22 GLN 42 -19.366 -9.330 4.801 332 H THR 43 H THR 43 -19.300 -5.367 1.458 333 HA THR 43 HA THR 43 -21.201 -3.246 0.739 334 HB THR 43 HB THR 43 -20.373 -3.360 3.025 335 HG1 THR 43 HG1 THR 43 -20.919 -1.373 2.243 336 HG21 THR 43 HG21 THR 43 -17.613 -2.814 1.916 337 HG22 THR 43 HG22 THR 43 -18.168 -4.268 2.809 338 HG23 THR 43 HG23 THR 43 -18.077 -2.721 3.622 339 H GLN 44 H GLN 44 -18.234 -4.502 -0.649 340 HA GLN 44 HA GLN 44 -16.673 -3.713 -2.025 341 HB2 GLN 44 HB2 GLN 44 -19.110 -2.441 -3.314 342 HB3 GLN 44 HB3 GLN 44 -17.477 -2.292 -3.959 343 HG2 GLN 44 HG2 GLN 44 -17.985 -4.121 -5.106 344 HG3 GLN 44 HG3 GLN 44 -17.456 -4.962 -3.686 345 HE21 GLN 44 HE21 GLN 44 -19.481 -5.219 -1.998 346 HE22 GLN 44 HE22 GLN 44 -20.831 -5.985 -2.811 347 H LEU 45 H LEU 45 -15.969 -2.752 0.036 348 HA LEU 45 HA LEU 45 -15.235 0.053 -0.513 349 HB2 LEU 45 HB2 LEU 45 -15.891 -1.045 2.223 350 HB3 LEU 45 HB3 LEU 45 -15.240 0.549 1.893 351 HG LEU 45 HG LEU 45 -17.981 -0.406 0.959 352 HD11 LEU 45 HD11 LEU 45 -18.904 0.930 2.739 353 HD12 LEU 45 HD12 LEU 45 -17.302 1.453 3.280 354 HD13 LEU 45 HD13 LEU 45 -17.825 -0.271 3.419 355 HD21 LEU 45 HD21 LEU 45 -18.305 2.049 0.570 356 HD22 LEU 45 HD22 LEU 45 -17.049 1.323 -0.467 357 HD23 LEU 45 HD23 LEU 45 -16.594 2.299 0.928 358 H ASN 46 H ASN 46 -13.194 0.484 0.097 359 HA ASN 46 HA ASN 46 -11.224 -1.627 0.251 360 HB2 ASN 46 HB2 ASN 46 -11.101 1.310 1.013 361 HB3 ASN 46 HB3 ASN 46 -9.723 0.310 0.999 362 HD21 ASN 46 HD21 ASN 46 -9.954 2.649 -0.509 363 HD22 ASN 46 HD22 ASN 46 -10.458 2.403 -2.148 364 H ARG 47 H ARG 47 -10.382 -2.669 2.151 365 HA ARG 47 HA ARG 47 -11.772 -2.286 4.670 366 HB2 ARG 47 HB2 ARG 47 -9.182 -3.680 3.928 367 HB3 ARG 47 HB3 ARG 47 -9.710 -3.569 5.600 368 HG2 ARG 47 HG2 ARG 47 -11.492 -4.786 3.447 369 HG3 ARG 47 HG3 ARG 47 -10.278 -5.703 4.341 370 HD2 ARG 47 HD2 ARG 47 -12.180 -6.181 5.513 371 HD3 ARG 47 HD3 ARG 47 -11.401 -4.928 6.483 372 HE ARG 47 HE ARG 47 -13.342 -3.867 4.586 373 HH11 ARG 47 HH11 ARG 47 -13.102 -5.346 7.802 374 HH12 ARG 47 HH12 ARG 47 -14.650 -4.744 8.320 375 HH21 ARG 47 HH21 ARG 47 -15.250 -3.110 5.204 376 HH22 ARG 47 HH22 ARG 47 -15.981 -3.465 6.748 377 H GLY 48 H GLY 48 -9.147 -0.618 3.175 378 HA2 GLY 48 HA2 GLY 48 -8.740 1.682 3.803 379 HA3 GLY 48 HA3 GLY 48 -8.988 1.251 5.507 380 H PHE 49 H PHE 49 -7.245 -1.140 3.694 381 HA PHE 49 HA PHE 49 -4.827 0.243 3.457 382 HB2 PHE 49 HB2 PHE 49 -3.601 -1.556 4.918 383 HB3 PHE 49 HB3 PHE 49 -4.450 -0.314 5.812 384 HD1 PHE 49 HD1 PHE 49 -4.799 -3.817 4.554 385 HD2 PHE 49 HD2 PHE 49 -6.247 -0.861 7.326 386 HE1 PHE 49 HE1 PHE 49 -6.116 -5.571 5.730 387 HE2 PHE 49 HE2 PHE 49 -7.601 -2.609 8.473 388 HZ PHE 49 HZ PHE 49 -7.531 -4.969 7.662 389 H ALA 50 H ALA 50 -3.243 -1.107 2.369 390 HA ALA 50 HA ALA 50 -4.416 -3.487 1.055 391 HB1 ALA 50 HB1 ALA 50 -4.884 -1.554 -0.532 392 HB2 ALA 50 HB2 ALA 50 -3.186 -1.223 -0.613 393 HB3 ALA 50 HB3 ALA 50 -3.782 -2.758 -1.204 394 H PHE 51 H PHE 51 -2.775 -4.626 -0.218 395 HA PHE 51 HA PHE 51 -0.117 -4.480 1.111 396 HB2 PHE 51 HB2 PHE 51 -1.809 -6.851 0.241 397 HB3 PHE 51 HB3 PHE 51 -0.080 -6.960 0.541 398 HD1 PHE 51 HD1 PHE 51 0.475 -7.863 2.656 399 HD2 PHE 51 HD2 PHE 51 -3.014 -5.424 2.286 400 HE1 PHE 51 HE1 PHE 51 0.034 -8.175 5.030 401 HE2 PHE 51 HE2 PHE 51 -3.535 -5.795 4.706 402 HZ PHE 51 HZ PHE 51 -2.001 -7.172 6.085 403 H ILE 52 H ILE 52 1.255 -3.879 -0.218 404 HA ILE 52 HA ILE 52 0.964 -4.117 -3.212 405 HB ILE 52 HB ILE 52 3.215 -2.776 -1.640 406 HG12 ILE 52 HG12 ILE 52 1.276 -1.427 -1.308 407 HG13 ILE 52 HG13 ILE 52 2.320 -0.620 -2.456 408 HG21 ILE 52 HG21 ILE 52 2.551 -2.822 -4.600 409 HG22 ILE 52 HG22 ILE 52 3.782 -1.774 -3.876 410 HG23 ILE 52 HG23 ILE 52 3.982 -3.529 -3.835 411 HD11 ILE 52 HD11 ILE 52 0.018 -0.365 -3.173 412 HD12 ILE 52 HD12 ILE 52 0.844 -1.399 -4.336 413 HD13 ILE 52 HD13 ILE 52 -0.246 -2.122 -3.126 414 H GLN 53 H GLN 53 2.106 -5.748 -4.296 415 HA GLN 53 HA GLN 53 3.847 -7.438 -2.632 416 HB2 GLN 53 HB2 GLN 53 1.503 -8.190 -3.891 417 HB3 GLN 53 HB3 GLN 53 2.722 -8.724 -5.045 418 HG2 GLN 53 HG2 GLN 53 3.069 -9.312 -2.088 419 HG3 GLN 53 HG3 GLN 53 1.910 -10.252 -3.034 420 HE21 GLN 53 HE21 GLN 53 5.306 -9.700 -2.388 421 HE22 GLN 53 HE22 GLN 53 5.931 -11.001 -3.356 422 H LEU 54 H LEU 54 5.801 -7.000 -3.030 423 HA LEU 54 HA LEU 54 6.608 -5.156 -5.138 424 HB2 LEU 54 HB2 LEU 54 8.023 -6.464 -2.764 425 HB3 LEU 54 HB3 LEU 54 8.897 -5.479 -3.894 426 HG LEU 54 HG LEU 54 8.441 -4.235 -1.943 427 HD11 LEU 54 HD11 LEU 54 8.487 -3.058 -4.123 428 HD12 LEU 54 HD12 LEU 54 7.568 -2.233 -2.870 429 HD13 LEU 54 HD13 LEU 54 6.711 -3.112 -4.173 430 HD21 LEU 54 HD21 LEU 54 5.465 -4.575 -2.480 431 HD22 LEU 54 HD22 LEU 54 6.175 -3.506 -1.280 432 HD23 LEU 54 HD23 LEU 54 6.377 -5.263 -1.129 433 H SER 55 H SER 55 8.799 -5.467 -6.138 434 HA SER 55 HA SER 55 9.124 -7.710 -7.804 435 HB2 SER 55 HB2 SER 55 10.142 -5.569 -8.275 436 HB3 SER 55 HB3 SER 55 11.070 -5.634 -6.766 437 HG SER 55 HG SER 55 12.378 -6.204 -8.451 438 H THR 56 H THR 56 10.771 -6.806 -4.635 439 HA THR 56 HA THR 56 11.503 -9.640 -4.232 440 HB THR 56 HB THR 56 13.857 -8.659 -3.656 441 HG1 THR 56 HG1 THR 56 13.169 -6.829 -5.662 442 HG21 THR 56 HG21 THR 56 13.052 -8.852 -6.588 443 HG22 THR 56 HG22 THR 56 13.409 -10.229 -5.522 444 HG23 THR 56 HG23 THR 56 14.674 -9.050 -5.892 445 H ILE 57 H ILE 57 12.137 -10.217 -2.119 446 HA ILE 57 HA ILE 57 11.050 -8.898 0.084 447 HB ILE 57 HB ILE 57 12.429 -10.304 1.485 448 HG12 ILE 57 HG12 ILE 57 13.978 -12.012 0.041 449 HG13 ILE 57 HG13 ILE 57 14.225 -10.559 -0.912 450 HG21 ILE 57 HG21 ILE 57 11.719 -11.973 -0.958 451 HG22 ILE 57 HG22 ILE 57 11.715 -12.460 0.744 452 HG23 ILE 57 HG23 ILE 57 10.513 -11.313 0.139 453 HD11 ILE 57 HD11 ILE 57 14.732 -10.908 2.083 454 HD12 ILE 57 HD12 ILE 57 15.961 -10.826 0.810 455 HD13 ILE 57 HD13 ILE 57 14.999 -9.395 1.199 456 H VAL 58 H VAL 58 14.157 -8.403 -1.475 457 HA VAL 58 HA VAL 58 15.341 -6.622 0.368 458 HB VAL 58 HB VAL 58 15.631 -6.806 -2.662 459 HG11 VAL 58 HG11 VAL 58 16.613 -4.702 -1.815 460 HG12 VAL 58 HG12 VAL 58 17.464 -5.600 -0.535 461 HG13 VAL 58 HG13 VAL 58 17.890 -5.847 -2.243 462 HG21 VAL 58 HG21 VAL 58 17.639 -8.184 -2.071 463 HG22 VAL 58 HG22 VAL 58 17.182 -8.111 -0.361 464 HG23 VAL 58 HG23 VAL 58 16.150 -8.957 -1.531 465 H GLU 59 H GLU 59 13.275 -5.893 -2.585 466 HA GLU 59 HA GLU 59 13.204 -3.121 -2.003 467 HB2 GLU 59 HB2 GLU 59 11.347 -4.936 -3.568 468 HB3 GLU 59 HB3 GLU 59 10.911 -3.262 -3.203 469 HG2 GLU 59 HG2 GLU 59 13.233 -2.592 -4.135 470 HG3 GLU 59 HG3 GLU 59 13.336 -4.241 -4.755 471 H ALA 60 H ALA 60 11.091 -5.771 -0.791 472 HA ALA 60 HA ALA 60 9.261 -4.136 0.504 473 HB1 ALA 60 HB1 ALA 60 10.157 -6.895 1.350 474 HB2 ALA 60 HB2 ALA 60 8.714 -6.048 1.944 475 HB3 ALA 60 HB3 ALA 60 8.840 -6.432 0.232 476 H ALA 61 H ALA 61 12.552 -4.391 1.547 477 HA ALA 61 HA ALA 61 11.757 -3.085 4.147 478 HB1 ALA 61 HB1 ALA 61 14.090 -3.643 4.907 479 HB2 ALA 61 HB2 ALA 61 12.978 -5.007 4.745 480 HB3 ALA 61 HB3 ALA 61 14.216 -4.706 3.487 481 H GLN 62 H GLN 62 14.113 -2.948 1.377 482 HA GLN 62 HA GLN 62 15.320 -0.519 2.320 483 HB2 GLN 62 HB2 GLN 62 15.252 -1.957 -0.343 484 HB3 GLN 62 HB3 GLN 62 15.811 -0.289 -0.277 485 HG2 GLN 62 HG2 GLN 62 17.660 -1.955 -0.099 486 HG3 GLN 62 HG3 GLN 62 17.593 -0.771 1.209 487 HE21 GLN 62 HE21 GLN 62 15.869 -3.901 0.654 488 HE22 GLN 62 HE22 GLN 62 16.036 -4.440 2.271 489 H LEU 63 H LEU 63 12.571 -1.165 0.132 490 HA LEU 63 HA LEU 63 12.105 1.630 -0.488 491 HB2 LEU 63 HB2 LEU 63 10.360 -0.838 -0.697 492 HB3 LEU 63 HB3 LEU 63 9.608 0.707 -0.613 493 HG LEU 63 HG LEU 63 10.844 1.570 -2.454 494 HD11 LEU 63 HD11 LEU 63 12.078 -0.047 -3.982 495 HD12 LEU 63 HD12 LEU 63 12.060 -1.188 -2.631 496 HD13 LEU 63 HD13 LEU 63 12.917 0.357 -2.474 497 HD21 LEU 63 HD21 LEU 63 9.485 0.467 -4.107 498 HD22 LEU 63 HD22 LEU 63 8.610 0.292 -2.598 499 HD23 LEU 63 HD23 LEU 63 9.568 -1.067 -3.239 500 H LEU 64 H LEU 64 10.809 -0.512 2.085 501 HA LEU 64 HA LEU 64 9.039 1.277 3.282 502 HB2 LEU 64 HB2 LEU 64 9.370 -1.142 3.821 503 HB3 LEU 64 HB3 LEU 64 10.852 -0.751 4.665 504 HG LEU 64 HG LEU 64 8.954 -1.248 6.112 505 HD11 LEU 64 HD11 LEU 64 9.347 0.388 7.773 506 HD12 LEU 64 HD12 LEU 64 9.832 1.620 6.601 507 HD13 LEU 64 HD13 LEU 64 10.861 0.199 6.871 508 HD21 LEU 64 HD21 LEU 64 7.781 1.411 5.263 509 HD22 LEU 64 HD22 LEU 64 7.111 0.253 6.429 510 HD23 LEU 64 HD23 LEU 64 7.192 -0.176 4.711 511 H GLN 65 H GLN 65 12.613 1.080 3.807 512 HA GLN 65 HA GLN 65 12.392 3.330 5.729 513 HB2 GLN 65 HB2 GLN 65 14.701 2.911 6.244 514 HB3 GLN 65 HB3 GLN 65 13.804 1.407 6.316 515 HG2 GLN 65 HG2 GLN 65 14.800 0.543 4.376 516 HG3 GLN 65 HG3 GLN 65 15.251 2.117 3.744 517 HE21 GLN 65 HE21 GLN 65 16.836 3.411 5.431 518 HE22 GLN 65 HE22 GLN 65 18.155 2.385 5.933 519 H ILE 66 H ILE 66 12.390 3.439 2.453 520 HA ILE 66 HA ILE 66 13.891 6.008 2.407 521 HB ILE 66 HB ILE 66 13.201 4.159 0.112 522 HG12 ILE 66 HG12 ILE 66 15.960 4.787 1.190 523 HG13 ILE 66 HG13 ILE 66 15.090 3.378 1.673 524 HG21 ILE 66 HG21 ILE 66 14.560 5.684 -1.292 525 HG22 ILE 66 HG22 ILE 66 13.196 6.533 -0.584 526 HG23 ILE 66 HG23 ILE 66 14.815 6.746 0.110 527 HD11 ILE 66 HD11 ILE 66 16.048 3.988 -1.141 528 HD12 ILE 66 HD12 ILE 66 16.534 2.659 -0.072 529 HD13 ILE 66 HD13 ILE 66 14.901 2.681 -0.769 530 H LEU 67 H LEU 67 10.911 4.285 1.396 531 HA LEU 67 HA LEU 67 9.703 6.622 0.327 532 HB2 LEU 67 HB2 LEU 67 8.233 4.183 1.359 533 HB3 LEU 67 HB3 LEU 67 7.655 5.391 0.237 534 HG LEU 67 HG LEU 67 9.323 3.009 -0.312 535 HD11 LEU 67 HD11 LEU 67 7.101 3.092 -1.167 536 HD12 LEU 67 HD12 LEU 67 8.226 3.079 -2.506 537 HD13 LEU 67 HD13 LEU 67 7.431 4.600 -2.049 538 HD21 LEU 67 HD21 LEU 67 9.951 5.588 -1.782 539 HD22 LEU 67 HD22 LEU 67 10.291 3.959 -2.409 540 HD23 LEU 67 HD23 LEU 67 11.085 4.480 -0.944 541 H GLN 68 H GLN 68 9.700 5.110 3.515 542 HA GLN 68 HA GLN 68 7.908 7.071 4.698 543 HB2 GLN 68 HB2 GLN 68 8.431 4.563 5.300 544 HB3 GLN 68 HB3 GLN 68 9.814 5.237 6.182 545 HG2 GLN 68 HG2 GLN 68 8.148 6.704 7.420 546 HG3 GLN 68 HG3 GLN 68 6.865 5.860 6.531 547 HE21 GLN 68 HE21 GLN 68 7.486 3.207 6.636 548 HE22 GLN 68 HE22 GLN 68 7.645 2.634 8.249 549 H ALA 69 H ALA 69 11.305 7.049 3.862 550 HA ALA 69 HA ALA 69 12.179 8.759 6.039 551 HB1 ALA 69 HB1 ALA 69 14.238 8.983 4.802 552 HB2 ALA 69 HB2 ALA 69 13.760 7.285 4.848 553 HB3 ALA 69 HB3 ALA 69 13.530 8.247 3.364 554 H LEU 70 H LEU 70 10.313 9.284 3.120 555 HA LEU 70 HA LEU 70 10.991 12.179 3.178 556 HB2 LEU 70 HB2 LEU 70 9.448 10.782 0.990 557 HB3 LEU 70 HB3 LEU 70 10.240 12.358 0.955 558 HG LEU 70 HG LEU 70 11.530 9.624 0.924 559 HD11 LEU 70 HD11 LEU 70 12.194 10.092 -1.284 560 HD12 LEU 70 HD12 LEU 70 11.831 11.822 -1.118 561 HD13 LEU 70 HD13 LEU 70 10.509 10.660 -1.189 562 HD21 LEU 70 HD21 LEU 70 12.996 12.301 0.879 563 HD22 LEU 70 HD22 LEU 70 13.712 10.672 0.715 564 HD23 LEU 70 HD23 LEU 70 13.010 11.167 2.245 565 H HIS 71 H HIS 71 9.172 13.566 2.649 566 HA HIS 71 HA HIS 71 6.633 12.741 3.967 567 HB2 HIS 71 HB2 HIS 71 8.042 14.149 5.442 568 HB3 HIS 71 HB3 HIS 71 7.998 15.440 4.235 569 HD1 HIS 71 HD1 HIS 71 5.323 16.228 3.612 570 HD2 HIS 71 HD2 HIS 71 6.021 13.924 7.079 571 HE1 HIS 71 HE1 HIS 71 3.204 16.360 5.008 572 HA PRO 72 HA PRO 72 5.936 14.233 -0.328 573 HB2 PRO 72 HB2 PRO 72 4.051 12.430 -1.126 574 HB3 PRO 72 HB3 PRO 72 5.791 12.011 -1.041 575 HG2 PRO 72 HG2 PRO 72 3.644 11.470 1.038 576 HG3 PRO 72 HG3 PRO 72 4.854 10.320 0.389 577 HD2 PRO 72 HD2 PRO 72 5.191 11.680 2.732 578 HD3 PRO 72 HD3 PRO 72 6.573 11.249 1.666 579 HA PRO 73 HA PRO 73 2.285 16.526 0.860 580 HB2 PRO 73 HB2 PRO 73 1.559 17.704 -1.460 581 HB3 PRO 73 HB3 PRO 73 3.161 18.016 -0.733 582 HG2 PRO 73 HG2 PRO 73 2.507 16.029 -2.932 583 HG3 PRO 73 HG3 PRO 73 3.774 17.302 -2.933 584 HD2 PRO 73 HD2 PRO 73 4.308 14.722 -2.211 585 HD3 PRO 73 HD3 PRO 73 5.108 16.106 -1.408 586 H LEU 74 H LEU 74 1.406 14.082 1.166 587 HA LEU 74 HA LEU 74 -0.498 13.339 -0.957 588 HB2 LEU 74 HB2 LEU 74 1.814 12.193 -0.300 589 HB3 LEU 74 HB3 LEU 74 0.860 11.450 0.961 590 HG LEU 74 HG LEU 74 0.781 11.116 -2.022 591 HD11 LEU 74 HD11 LEU 74 2.109 9.602 -0.608 592 HD12 LEU 74 HD12 LEU 74 0.762 8.718 -1.348 593 HD13 LEU 74 HD13 LEU 74 0.683 9.207 0.353 594 HD21 LEU 74 HD21 LEU 74 -1.566 11.524 -1.627 595 HD22 LEU 74 HD22 LEU 74 -1.571 10.396 -0.249 596 HD23 LEU 74 HD23 LEU 74 -1.293 9.817 -1.927 597 H THR 75 H THR 75 -2.602 13.596 -0.330 598 HA THR 75 HA THR 75 -3.525 12.278 2.103 599 HB THR 75 HB THR 75 -4.949 14.680 2.307 600 HG1 THR 75 HG1 THR 75 -3.506 15.948 1.260 601 HG21 THR 75 HG21 THR 75 -2.560 13.870 3.973 602 HG22 THR 75 HG22 THR 75 -4.194 13.188 4.125 603 HG23 THR 75 HG23 THR 75 -3.932 14.891 4.465 604 H ILE 76 H ILE 76 -4.813 10.823 0.884 605 HA ILE 76 HA ILE 76 -6.678 12.025 -1.091 606 HB ILE 76 HB ILE 76 -5.917 9.131 -0.605 607 HG12 ILE 76 HG12 ILE 76 -5.172 11.123 -2.786 608 HG13 ILE 76 HG13 ILE 76 -4.070 10.498 -1.560 609 HG21 ILE 76 HG21 ILE 76 -7.667 10.387 -2.772 610 HG22 ILE 76 HG22 ILE 76 -7.222 8.675 -2.661 611 HG23 ILE 76 HG23 ILE 76 -8.257 9.388 -1.429 612 HD11 ILE 76 HD11 ILE 76 -4.340 8.248 -2.470 613 HD12 ILE 76 HD12 ILE 76 -5.296 8.907 -3.827 614 HD13 ILE 76 HD13 ILE 76 -3.604 9.383 -3.607 615 H ASP 77 H ASP 77 -8.821 12.200 -0.555 616 HA ASP 77 HA ASP 77 -10.532 12.580 0.842 617 HB2 ASP 77 HB2 ASP 77 -9.906 9.728 1.668 618 HB3 ASP 77 HB3 ASP 77 -11.399 10.584 2.044 619 H GLY 78 H GLY 78 -7.909 13.395 1.782 620 HA2 GLY 78 HA2 GLY 78 -6.846 14.294 3.595 621 HA3 GLY 78 HA3 GLY 78 -8.381 14.255 4.462 622 H LYS 79 H LYS 79 -7.188 11.177 3.256 623 HA LYS 79 HA LYS 79 -6.287 10.437 5.983 624 HB2 LYS 79 HB2 LYS 79 -6.582 8.579 3.648 625 HB3 LYS 79 HB3 LYS 79 -6.402 8.257 5.392 626 HG2 LYS 79 HG2 LYS 79 -8.864 9.350 3.949 627 HG3 LYS 79 HG3 LYS 79 -8.663 7.727 4.566 628 HD2 LYS 79 HD2 LYS 79 -8.749 8.424 6.833 629 HD3 LYS 79 HD3 LYS 79 -8.572 10.131 6.411 630 HE2 LYS 79 HE2 LYS 79 -10.734 10.075 5.208 631 HE3 LYS 79 HE3 LYS 79 -10.942 8.375 5.631 632 HZ1 LYS 79 HZ1 LYS 79 -10.736 10.584 7.584 633 HZ2 LYS 79 HZ2 LYS 79 -11.047 8.988 7.938 634 HZ3 LYS 79 HZ3 LYS 79 -12.140 9.909 7.108 635 H THR 80 H THR 80 -4.195 10.902 6.253 636 HA THR 80 HA THR 80 -2.331 11.187 4.080 637 HB THR 80 HB THR 80 -1.799 10.967 7.068 638 HG1 THR 80 HG1 THR 80 -2.421 13.115 7.234 639 HG21 THR 80 HG21 THR 80 -0.533 12.659 4.871 640 HG22 THR 80 HG22 THR 80 0.180 11.193 5.584 641 HG23 THR 80 HG23 THR 80 -0.074 12.637 6.586 642 H ILE 81 H ILE 81 -1.647 9.359 2.998 643 HA ILE 81 HA ILE 81 -2.020 6.678 3.909 644 HB ILE 81 HB ILE 81 -0.067 7.672 1.806 645 HG12 ILE 81 HG12 ILE 81 -2.110 8.648 1.123 646 HG13 ILE 81 HG13 ILE 81 -1.942 7.188 0.167 647 HG21 ILE 81 HG21 ILE 81 -1.410 4.983 2.238 648 HG22 ILE 81 HG22 ILE 81 -0.509 5.420 0.766 649 HG23 ILE 81 HG23 ILE 81 0.321 5.343 2.308 650 HD11 ILE 81 HD11 ILE 81 -3.845 7.728 2.478 651 HD12 ILE 81 HD12 ILE 81 -4.223 7.255 0.814 652 HD13 ILE 81 HD13 ILE 81 -3.501 6.085 1.947 653 H ASN 82 H ASN 82 -0.766 5.326 5.088 654 HA ASN 82 HA ASN 82 1.892 6.391 6.010 655 HB2 ASN 82 HB2 ASN 82 -0.351 5.181 7.439 656 HB3 ASN 82 HB3 ASN 82 1.161 4.326 7.762 657 HD21 ASN 82 HD21 ASN 82 -0.694 6.305 9.199 658 HD22 ASN 82 HD22 ASN 82 0.504 7.393 9.910 659 H VAL 83 H VAL 83 3.575 4.992 6.259 660 HA VAL 83 HA VAL 83 3.570 2.802 4.280 661 HB VAL 83 HB VAL 83 6.059 3.910 5.581 662 HG11 VAL 83 HG11 VAL 83 5.984 1.922 3.931 663 HG12 VAL 83 HG12 VAL 83 5.568 3.139 2.712 664 HG13 VAL 83 HG13 VAL 83 7.121 3.241 3.563 665 HG21 VAL 83 HG21 VAL 83 6.282 5.556 3.734 666 HG22 VAL 83 HG22 VAL 83 4.584 5.279 3.326 667 HG23 VAL 83 HG23 VAL 83 5.021 5.980 4.894 668 H GLU 84 H GLU 84 2.418 1.321 5.695 669 HA GLU 84 HA GLU 84 3.845 0.450 8.169 670 HB2 GLU 84 HB2 GLU 84 1.038 0.036 7.086 671 HB3 GLU 84 HB3 GLU 84 1.683 -0.999 8.353 672 HG2 GLU 84 HG2 GLU 84 1.461 2.059 8.580 673 HG3 GLU 84 HG3 GLU 84 0.350 0.855 9.235 674 H PHE 85 H PHE 85 3.841 -2.136 8.418 675 HA PHE 85 HA PHE 85 5.105 -3.053 5.880 676 HB2 PHE 85 HB2 PHE 85 6.432 -2.470 8.079 677 HB3 PHE 85 HB3 PHE 85 5.829 -4.039 8.615 678 HD1 PHE 85 HD1 PHE 85 8.579 -3.690 8.771 679 HD2 PHE 85 HD2 PHE 85 6.390 -4.640 5.151 680 HE1 PHE 85 HE1 PHE 85 10.606 -4.706 7.770 681 HE2 PHE 85 HE2 PHE 85 8.367 -5.688 4.233 682 HZ PHE 85 HZ PHE 85 10.503 -5.727 5.514 683 H ALA 86 H ALA 86 4.622 -5.174 5.162 684 HA ALA 86 HA ALA 86 2.210 -6.381 6.281 685 HB1 ALA 86 HB1 ALA 86 4.043 -7.269 4.031 686 HB2 ALA 86 HB2 ALA 86 2.454 -7.952 4.409 687 HB3 ALA 86 HB3 ALA 86 2.572 -6.270 3.843 688 H LYS 87 H LYS 87 2.115 -8.062 7.592 689 HA LYS 87 HA LYS 87 4.327 -9.965 7.816 690 HB2 LYS 87 HB2 LYS 87 4.800 -8.054 9.402 691 HB3 LYS 87 HB3 LYS 87 3.342 -8.489 10.302 692 HG2 LYS 87 HG2 LYS 87 4.265 -10.710 10.786 693 HG3 LYS 87 HG3 LYS 87 5.623 -10.416 9.685 694 HD2 LYS 87 HD2 LYS 87 6.262 -8.431 11.129 695 HD3 LYS 87 HD3 LYS 87 5.040 -8.940 12.273 696 HE2 LYS 87 HE2 LYS 87 7.562 -10.406 11.406 697 HE3 LYS 87 HE3 LYS 87 7.229 -9.702 12.993 698 HZ1 LYS 87 HZ1 LYS 87 6.084 -12.121 11.795 699 HZ2 LYS 87 HZ2 LYS 87 5.397 -11.407 13.145 700 HZ3 LYS 87 HZ3 LYS 87 6.948 -11.978 13.175 701 H GLY 88 H GLY 88 2.903 -11.517 6.960 702 HA2 GLY 88 HA2 GLY 88 1.023 -12.608 9.010 703 HA3 GLY 88 HA3 GLY 88 0.747 -12.763 7.271 704 H SER 89 H SER 89 4.070 -12.821 8.035 705 HA SER 89 HA SER 89 5.677 -14.246 7.699 706 HB2 SER 89 HB2 SER 89 3.901 -16.490 8.624 707 HB3 SER 89 HB3 SER 89 5.682 -16.389 8.672 708 HG SER 89 HG SER 89 3.736 -14.935 10.150 Start of MODEL 10 1 H1 GLY 1 H GLY 1 3.008 -13.689 5.086 2 HA2 GLY 1 HA2 GLY 1 2.809 -11.110 3.625 3 HA3 GLY 1 HA3 GLY 1 3.377 -11.280 5.313 4 H HIS 2 H HIS 2 5.461 -10.360 4.727 5 HA HIS 2 HA HIS 2 7.574 -10.383 4.030 6 HB2 HIS 2 HB2 HIS 2 7.389 -13.406 4.050 7 HB3 HIS 2 HB3 HIS 2 8.856 -12.433 4.135 8 HD1 HIS 2 HD1 HIS 2 8.010 -10.320 6.392 9 HD2 HIS 2 HD2 HIS 2 7.304 -14.486 6.435 10 HE1 HIS 2 HE1 HIS 2 7.777 -10.980 8.817 11 H MET 3 H MET 3 8.980 -12.097 2.199 12 HA MET 3 HA MET 3 9.491 -12.398 0.097 13 HB2 MET 3 HB2 MET 3 6.960 -13.303 0.133 14 HB3 MET 3 HB3 MET 3 6.747 -11.980 -1.020 15 HG2 MET 3 HG2 MET 3 7.292 -13.966 -2.241 16 HG3 MET 3 HG3 MET 3 8.704 -12.907 -2.314 17 HE1 MET 3 HE1 MET 3 9.050 -15.711 -3.287 18 HE2 MET 3 HE2 MET 3 10.443 -14.650 -3.020 19 HE3 MET 3 HE3 MET 3 10.479 -16.326 -2.418 20 H ASP 4 H ASP 4 7.296 -9.680 0.349 21 HA ASP 4 HA ASP 4 9.028 -7.623 -0.758 22 HB2 ASP 4 HB2 ASP 4 7.869 -7.439 -2.950 23 HB3 ASP 4 HB3 ASP 4 8.846 -8.869 -2.817 24 H THR 5 H THR 5 6.555 -8.379 1.217 25 HA THR 5 HA THR 5 4.591 -6.600 -0.071 26 HB THR 5 HB THR 5 4.139 -8.869 1.848 27 HG1 THR 5 HG1 THR 5 4.693 -9.006 -0.725 28 HG21 THR 5 HG21 THR 5 2.111 -7.316 0.188 29 HG22 THR 5 HG22 THR 5 2.328 -7.129 1.938 30 HG23 THR 5 HG23 THR 5 1.794 -8.680 1.280 31 H ILE 6 H ILE 6 3.779 -4.879 0.850 32 HA ILE 6 HA ILE 6 4.697 -4.096 3.578 33 HB ILE 6 HB ILE 6 4.411 -2.257 1.165 34 HG12 ILE 6 HG12 ILE 6 6.944 -3.634 2.169 35 HG13 ILE 6 HG13 ILE 6 6.193 -3.811 0.579 36 HG21 ILE 6 HG21 ILE 6 5.755 -0.720 2.585 37 HG22 ILE 6 HG22 ILE 6 4.271 -1.206 3.394 38 HG23 ILE 6 HG23 ILE 6 5.824 -1.948 3.851 39 HD11 ILE 6 HD11 ILE 6 6.585 -1.308 0.235 40 HD12 ILE 6 HD12 ILE 6 7.690 -1.400 1.636 41 HD13 ILE 6 HD13 ILE 6 7.974 -2.390 0.195 42 H ILE 7 H ILE 7 3.147 -2.827 4.777 43 HA ILE 7 HA ILE 7 0.440 -3.014 3.670 44 HB ILE 7 HB ILE 7 1.103 -3.067 6.585 45 HG12 ILE 7 HG12 ILE 7 0.254 -5.081 4.488 46 HG13 ILE 7 HG13 ILE 7 1.502 -5.185 5.709 47 HG21 ILE 7 HG21 ILE 7 -1.582 -2.895 5.151 48 HG22 ILE 7 HG22 ILE 7 -1.373 -3.204 6.893 49 HG23 ILE 7 HG23 ILE 7 -0.873 -1.670 6.243 50 HD11 ILE 7 HD11 ILE 7 -0.250 -6.684 6.328 51 HD12 ILE 7 HD12 ILE 7 -0.366 -5.295 7.444 52 HD13 ILE 7 HD13 ILE 7 -1.499 -5.459 6.089 53 H LEU 8 H LEU 8 -0.475 -1.340 3.052 54 HA LEU 8 HA LEU 8 0.461 1.364 3.898 55 HB2 LEU 8 HB2 LEU 8 -1.529 0.444 1.794 56 HB3 LEU 8 HB3 LEU 8 -1.395 2.078 2.361 57 HG LEU 8 HG LEU 8 0.725 2.489 1.546 58 HD11 LEU 8 HD11 LEU 8 2.235 0.820 0.508 59 HD12 LEU 8 HD12 LEU 8 1.158 -0.477 1.103 60 HD13 LEU 8 HD13 LEU 8 1.999 0.591 2.221 61 HD21 LEU 8 HD21 LEU 8 -0.792 0.764 -0.445 62 HD22 LEU 8 HD22 LEU 8 0.434 1.979 -0.870 63 HD23 LEU 8 HD23 LEU 8 -1.073 2.467 -0.094 64 H ARG 9 H ARG 9 -0.171 1.494 5.952 65 HA ARG 9 HA ARG 9 -2.829 0.769 6.930 66 HB2 ARG 9 HB2 ARG 9 -0.329 1.487 8.052 67 HB3 ARG 9 HB3 ARG 9 -1.330 2.875 8.394 68 HG2 ARG 9 HG2 ARG 9 -2.252 0.061 9.052 69 HG3 ARG 9 HG3 ARG 9 -1.149 0.960 10.092 70 HD2 ARG 9 HD2 ARG 9 -2.867 2.886 10.031 71 HD3 ARG 9 HD3 ARG 9 -4.016 1.612 9.518 72 HE ARG 9 HE ARG 9 -2.266 1.449 11.948 73 HH11 ARG 9 HH11 ARG 9 -5.587 1.133 10.623 74 HH12 ARG 9 HH12 ARG 9 -6.172 0.371 12.048 75 HH21 ARG 9 HH21 ARG 9 -3.017 0.406 13.699 76 HH22 ARG 9 HH22 ARG 9 -4.647 -0.226 13.805 77 H ASN 10 H ASN 10 -4.045 2.882 7.985 78 HA ASN 10 HA ASN 10 -5.197 4.759 7.619 79 HB2 ASN 10 HB2 ASN 10 -2.448 5.297 7.398 80 HB3 ASN 10 HB3 ASN 10 -3.112 6.065 5.975 81 HD21 ASN 10 HD21 ASN 10 -1.833 7.176 8.073 82 HD22 ASN 10 HD22 ASN 10 -2.826 8.222 9.047 83 H LEU 11 H LEU 11 -5.563 2.595 5.521 84 HA LEU 11 HA LEU 11 -5.609 4.066 2.992 85 HB2 LEU 11 HB2 LEU 11 -5.217 1.414 3.750 86 HB3 LEU 11 HB3 LEU 11 -6.880 1.396 3.183 87 HG LEU 11 HG LEU 11 -5.218 0.758 1.521 88 HD11 LEU 11 HD11 LEU 11 -6.456 3.396 0.644 89 HD12 LEU 11 HD12 LEU 11 -7.466 2.003 1.013 90 HD13 LEU 11 HD13 LEU 11 -6.278 1.891 -0.287 91 HD21 LEU 11 HD21 LEU 11 -3.510 2.497 2.374 92 HD22 LEU 11 HD22 LEU 11 -4.223 3.532 1.119 93 HD23 LEU 11 HD23 LEU 11 -3.522 1.978 0.674 94 H ASN 12 H ASN 12 -7.319 5.412 2.598 95 HA ASN 12 HA ASN 12 -9.781 5.420 4.051 96 HB2 ASN 12 HB2 ASN 12 -10.482 7.009 2.224 97 HB3 ASN 12 HB3 ASN 12 -9.004 7.475 3.003 98 HD21 ASN 12 HD21 ASN 12 -9.927 8.325 0.419 99 HD22 ASN 12 HD22 ASN 12 -8.588 7.930 -0.615 100 HA PRO 13 HA PRO 13 -12.003 2.503 1.484 101 HB2 PRO 13 HB2 PRO 13 -14.575 3.352 1.741 102 HB3 PRO 13 HB3 PRO 13 -13.665 2.579 3.071 103 HG2 PRO 13 HG2 PRO 13 -14.171 5.517 2.586 104 HG3 PRO 13 HG3 PRO 13 -14.263 4.591 4.116 105 HD2 PRO 13 HD2 PRO 13 -12.086 6.098 3.414 106 HD3 PRO 13 HD3 PRO 13 -11.931 4.612 4.380 107 H HIS 14 H HIS 14 -12.151 5.918 0.823 108 HA HIS 14 HA HIS 14 -13.578 5.641 -1.722 109 HB2 HIS 14 HB2 HIS 14 -12.443 7.950 -0.111 110 HB3 HIS 14 HB3 HIS 14 -13.096 8.173 -1.734 111 HD1 HIS 14 HD1 HIS 14 -14.805 9.826 -0.284 112 HD2 HIS 14 HD2 HIS 14 -15.229 5.633 0.011 113 HE1 HIS 14 HE1 HIS 14 -17.156 9.389 0.570 114 H SER 15 H SER 15 -10.171 5.580 -0.802 115 HA SER 15 HA SER 15 -9.093 6.931 -2.980 116 HB2 SER 15 HB2 SER 15 -7.226 5.067 -2.757 117 HB3 SER 15 HB3 SER 15 -7.471 6.248 -1.489 118 HG SER 15 HG SER 15 -7.919 4.759 -0.201 119 H THR 16 H THR 16 -7.990 6.168 -4.911 120 HA THR 16 HA THR 16 -9.347 3.845 -6.125 121 HB THR 16 HB THR 16 -8.748 5.130 -8.289 122 HG1 THR 16 HG1 THR 16 -8.916 7.274 -6.406 123 HG21 THR 16 HG21 THR 16 -10.920 6.309 -8.175 124 HG22 THR 16 HG22 THR 16 -10.957 6.142 -6.415 125 HG23 THR 16 HG23 THR 16 -11.055 4.704 -7.447 126 H MET 17 H MET 17 -7.976 2.247 -6.651 127 HA MET 17 HA MET 17 -5.473 2.189 -5.319 128 HB2 MET 17 HB2 MET 17 -5.117 0.090 -6.488 129 HB3 MET 17 HB3 MET 17 -6.729 0.190 -5.798 130 HG2 MET 17 HG2 MET 17 -7.592 0.644 -8.116 131 HG3 MET 17 HG3 MET 17 -5.937 0.551 -8.724 132 HE1 MET 17 HE1 MET 17 -8.877 -1.359 -7.025 133 HE2 MET 17 HE2 MET 17 -8.309 -3.040 -7.016 134 HE3 MET 17 HE3 MET 17 -7.571 -1.864 -5.924 135 H ASP 18 H ASP 18 -6.323 3.003 -8.587 136 HA ASP 18 HA ASP 18 -3.840 3.027 -9.848 137 HB2 ASP 18 HB2 ASP 18 -6.296 3.161 -10.664 138 HB3 ASP 18 HB3 ASP 18 -6.146 4.894 -10.436 139 H SER 19 H SER 19 -5.260 5.360 -7.642 140 HA SER 19 HA SER 19 -3.240 7.458 -8.130 141 HB2 SER 19 HB2 SER 19 -5.884 7.210 -6.680 142 HB3 SER 19 HB3 SER 19 -4.791 8.472 -6.187 143 HG SER 19 HG SER 19 -4.642 8.943 -8.569 144 H ILE 20 H ILE 20 -3.926 4.849 -5.867 145 HA ILE 20 HA ILE 20 -2.028 5.795 -3.842 146 HB ILE 20 HB ILE 20 -3.144 3.030 -4.358 147 HG12 ILE 20 HG12 ILE 20 -3.995 5.059 -2.225 148 HG13 ILE 20 HG13 ILE 20 -4.875 4.763 -3.732 149 HG21 ILE 20 HG21 ILE 20 -1.702 4.069 -1.885 150 HG22 ILE 20 HG22 ILE 20 -2.352 2.422 -2.141 151 HG23 ILE 20 HG23 ILE 20 -0.996 2.973 -3.091 152 HD11 ILE 20 HD11 ILE 20 -5.920 3.496 -1.978 153 HD12 ILE 20 HD12 ILE 20 -5.169 2.366 -3.109 154 HD13 ILE 20 HD13 ILE 20 -4.413 2.716 -1.537 155 H LEU 21 H LEU 21 -1.978 3.761 -6.784 156 HA LEU 21 HA LEU 21 0.271 2.349 -6.541 157 HB2 LEU 21 HB2 LEU 21 -1.017 3.614 -8.947 158 HB3 LEU 21 HB3 LEU 21 0.582 2.933 -9.182 159 HG LEU 21 HG LEU 21 -1.750 1.363 -8.063 160 HD11 LEU 21 HD11 LEU 21 -0.568 1.164 -10.860 161 HD12 LEU 21 HD12 LEU 21 -2.049 2.051 -10.481 162 HD13 LEU 21 HD13 LEU 21 -1.985 0.311 -10.203 163 HD21 LEU 21 HD21 LEU 21 0.287 0.326 -7.353 164 HD22 LEU 21 HD22 LEU 21 1.078 0.597 -8.925 165 HD23 LEU 21 HD23 LEU 21 -0.225 -0.594 -8.761 166 H GLY 22 H GLY 22 0.626 5.479 -8.372 167 HA2 GLY 22 HA2 GLY 22 3.442 5.210 -8.382 168 HA3 GLY 22 HA3 GLY 22 2.534 6.684 -8.750 169 H ALA 23 H ALA 23 1.230 6.887 -6.145 170 HA ALA 23 HA ALA 23 3.093 8.444 -4.712 171 HB1 ALA 23 HB1 ALA 23 1.383 8.527 -2.986 172 HB2 ALA 23 HB2 ALA 23 0.569 8.570 -4.563 173 HB3 ALA 23 HB3 ALA 23 0.598 7.074 -3.618 174 H LEU 24 H LEU 24 2.585 4.984 -4.650 175 HA LEU 24 HA LEU 24 4.524 4.781 -2.416 176 HB2 LEU 24 HB2 LEU 24 1.790 4.084 -2.319 177 HB3 LEU 24 HB3 LEU 24 2.594 2.559 -2.577 178 HG LEU 24 HG LEU 24 2.319 2.985 -0.214 179 HD11 LEU 24 HD11 LEU 24 4.388 1.825 -0.757 180 HD12 LEU 24 HD12 LEU 24 4.589 2.857 0.673 181 HD13 LEU 24 HD13 LEU 24 5.259 3.365 -0.874 182 HD21 LEU 24 HD21 LEU 24 3.858 5.581 -0.468 183 HD22 LEU 24 HD22 LEU 24 3.181 4.871 1.006 184 HD23 LEU 24 HD23 LEU 24 2.104 5.430 -0.286 185 H ALA 25 H ALA 25 4.598 4.548 -5.548 186 HA ALA 25 HA ALA 25 6.408 2.219 -5.496 187 HB1 ALA 25 HB1 ALA 25 5.383 1.277 -7.525 188 HB2 ALA 25 HB2 ALA 25 4.297 1.264 -6.130 189 HB3 ALA 25 HB3 ALA 25 4.089 2.462 -7.435 190 HA PRO 26 HA PRO 26 8.169 5.586 -8.141 191 HB2 PRO 26 HB2 PRO 26 10.396 6.114 -6.581 192 HB3 PRO 26 HB3 PRO 26 8.865 7.028 -6.509 193 HG2 PRO 26 HG2 PRO 26 9.819 4.834 -4.682 194 HG3 PRO 26 HG3 PRO 26 8.989 6.355 -4.255 195 HD2 PRO 26 HD2 PRO 26 7.687 3.923 -4.463 196 HD3 PRO 26 HD3 PRO 26 6.911 5.487 -4.845 197 H TYR 27 H TYR 27 9.203 2.694 -6.494 198 HA TYR 27 HA TYR 27 11.205 2.073 -8.633 199 HB2 TYR 27 HB2 TYR 27 11.316 1.400 -5.680 200 HB3 TYR 27 HB3 TYR 27 12.503 0.921 -6.871 201 HD1 TYR 27 HD1 TYR 27 11.458 3.420 -4.516 202 HD2 TYR 27 HD2 TYR 27 13.936 2.772 -7.989 203 HE1 TYR 27 HE1 TYR 27 12.810 5.374 -3.895 204 HE2 TYR 27 HE2 TYR 27 15.426 4.605 -7.255 205 HH TYR 27 HH TYR 27 15.967 5.970 -5.423 206 H ALA 28 H ALA 28 8.569 0.931 -6.668 207 HA ALA 28 HA ALA 28 8.749 -1.929 -7.423 208 HB1 ALA 28 HB1 ALA 28 6.409 -0.336 -6.313 209 HB2 ALA 28 HB2 ALA 28 6.701 -2.089 -6.220 210 HB3 ALA 28 HB3 ALA 28 7.664 -0.952 -5.251 211 H VAL 29 H VAL 29 7.686 -2.780 -9.266 212 HA VAL 29 HA VAL 29 6.160 -0.769 -10.728 213 HB VAL 29 HB VAL 29 8.291 -2.510 -12.091 214 HG11 VAL 29 HG11 VAL 29 6.484 -1.792 -13.606 215 HG12 VAL 29 HG12 VAL 29 6.745 -0.100 -13.122 216 HG13 VAL 29 HG13 VAL 29 8.003 -0.989 -14.012 217 HG21 VAL 29 HG21 VAL 29 9.595 -0.385 -12.439 218 HG22 VAL 29 HG22 VAL 29 8.526 0.415 -11.261 219 HG23 VAL 29 HG23 VAL 29 9.564 -0.950 -10.773 220 H LEU 30 H LEU 30 4.681 -1.568 -9.872 221 HA LEU 30 HA LEU 30 3.463 -4.058 -10.933 222 HB2 LEU 30 HB2 LEU 30 1.984 -2.330 -8.993 223 HB3 LEU 30 HB3 LEU 30 2.164 -4.069 -9.067 224 HG LEU 30 HG LEU 30 3.107 -3.278 -7.111 225 HD11 LEU 30 HD11 LEU 30 5.372 -4.148 -8.870 226 HD12 LEU 30 HD12 LEU 30 4.310 -5.147 -7.876 227 HD13 LEU 30 HD13 LEU 30 5.455 -4.034 -7.119 228 HD21 LEU 30 HD21 LEU 30 3.410 -0.933 -7.798 229 HD22 LEU 30 HD22 LEU 30 5.068 -1.400 -8.182 230 HD23 LEU 30 HD23 LEU 30 4.452 -1.649 -6.548 231 H SER 31 H SER 31 1.029 -3.841 -11.354 232 HA SER 31 HA SER 31 -0.120 -1.374 -12.133 233 HB2 SER 31 HB2 SER 31 -0.400 -1.982 -14.605 234 HB3 SER 31 HB3 SER 31 1.122 -1.259 -14.100 235 HG SER 31 HG SER 31 1.189 -3.087 -15.555 236 H SER 32 H SER 32 -2.123 -1.768 -11.508 237 HA SER 32 HA SER 32 -3.962 -2.674 -10.768 238 HB2 SER 32 HB2 SER 32 -4.158 -2.877 -13.308 239 HB3 SER 32 HB3 SER 32 -3.855 -4.601 -13.098 240 HG SER 32 HG SER 32 -5.939 -2.979 -12.052 241 H SER 33 H SER 33 -2.277 -5.668 -11.870 242 HA SER 33 HA SER 33 -3.601 -7.403 -10.157 243 HB2 SER 33 HB2 SER 33 -0.880 -7.737 -11.489 244 HB3 SER 33 HB3 SER 33 -2.022 -8.992 -11.031 245 HG SER 33 HG SER 33 -3.527 -8.021 -12.494 246 H ASN 34 H ASN 34 -1.861 -5.308 -8.722 247 HA ASN 34 HA ASN 34 -1.103 -7.227 -6.534 248 HB2 ASN 34 HB2 ASN 34 0.603 -5.034 -7.737 249 HB3 ASN 34 HB3 ASN 34 0.740 -5.381 -6.005 250 HD21 ASN 34 HD21 ASN 34 2.147 -6.277 -8.919 251 HD22 ASN 34 HD22 ASN 34 2.837 -7.745 -8.301 252 H VAL 35 H VAL 35 -2.803 -4.296 -7.356 253 HA VAL 35 HA VAL 35 -2.349 -3.258 -4.687 254 HB VAL 35 HB VAL 35 -4.252 -1.999 -6.637 255 HG11 VAL 35 HG11 VAL 35 -2.457 -1.098 -4.309 256 HG12 VAL 35 HG12 VAL 35 -3.308 0.033 -5.339 257 HG13 VAL 35 HG13 VAL 35 -4.228 -1.106 -4.337 258 HG21 VAL 35 HG21 VAL 35 -2.357 -0.659 -7.426 259 HG22 VAL 35 HG22 VAL 35 -1.233 -1.727 -6.550 260 HG23 VAL 35 HG23 VAL 35 -2.202 -2.336 -7.911 261 H ARG 36 H ARG 36 -3.271 -4.444 -3.131 262 HA ARG 36 HA ARG 36 -6.055 -5.389 -3.532 263 HB2 ARG 36 HB2 ARG 36 -4.020 -7.006 -3.890 264 HB3 ARG 36 HB3 ARG 36 -3.859 -6.975 -2.144 265 HG2 ARG 36 HG2 ARG 36 -5.147 -8.906 -2.865 266 HG3 ARG 36 HG3 ARG 36 -6.223 -7.824 -1.955 267 HD2 ARG 36 HD2 ARG 36 -7.242 -7.000 -3.986 268 HD3 ARG 36 HD3 ARG 36 -5.978 -7.768 -4.989 269 HE ARG 36 HE ARG 36 -7.521 -9.616 -3.377 270 HH11 ARG 36 HH11 ARG 36 -7.289 -7.923 -6.518 271 HH12 ARG 36 HH12 ARG 36 -8.512 -8.830 -7.292 272 HH21 ARG 36 HH21 ARG 36 -9.211 -10.850 -4.391 273 HH22 ARG 36 HH22 ARG 36 -9.562 -10.636 -6.059 274 H VAL 37 H VAL 37 -7.032 -3.854 -2.302 275 HA VAL 37 HA VAL 37 -6.091 -3.454 0.455 276 HB VAL 37 HB VAL 37 -8.497 -2.087 -0.654 277 HG11 VAL 37 HG11 VAL 37 -7.773 -1.657 1.666 278 HG12 VAL 37 HG12 VAL 37 -6.153 -1.275 1.098 279 HG13 VAL 37 HG13 VAL 37 -7.470 -0.208 0.671 280 HG21 VAL 37 HG21 VAL 37 -5.698 -1.257 -1.501 281 HG22 VAL 37 HG22 VAL 37 -7.052 -1.722 -2.561 282 HG23 VAL 37 HG23 VAL 37 -7.166 -0.251 -1.599 283 H ILE 38 H ILE 38 -7.252 -6.031 -0.347 284 HA ILE 38 HA ILE 38 -8.801 -7.589 0.211 285 HB ILE 38 HB ILE 38 -8.708 -6.214 2.901 286 HG12 ILE 38 HG12 ILE 38 -6.410 -6.143 2.189 287 HG13 ILE 38 HG13 ILE 38 -6.613 -7.355 3.415 288 HG21 ILE 38 HG21 ILE 38 -8.829 -9.163 2.141 289 HG22 ILE 38 HG22 ILE 38 -8.609 -8.533 3.788 290 HG23 ILE 38 HG23 ILE 38 -10.103 -8.211 2.926 291 HD11 ILE 38 HD11 ILE 38 -6.543 -9.156 1.701 292 HD12 ILE 38 HD12 ILE 38 -6.360 -7.924 0.428 293 HD13 ILE 38 HD13 ILE 38 -5.101 -8.134 1.652 294 H LYS 39 H LYS 39 -9.995 -5.411 -1.097 295 HA LYS 39 HA LYS 39 -11.959 -4.009 0.217 296 HB2 LYS 39 HB2 LYS 39 -12.917 -3.586 -2.039 297 HB3 LYS 39 HB3 LYS 39 -11.191 -3.280 -1.905 298 HG2 LYS 39 HG2 LYS 39 -10.945 -4.497 -3.778 299 HG3 LYS 39 HG3 LYS 39 -11.318 -5.916 -2.824 300 HD2 LYS 39 HD2 LYS 39 -12.743 -6.000 -4.707 301 HD3 LYS 39 HD3 LYS 39 -13.788 -5.523 -3.356 302 HE2 LYS 39 HE2 LYS 39 -13.600 -3.155 -4.044 303 HE3 LYS 39 HE3 LYS 39 -12.464 -3.591 -5.324 304 HZ1 LYS 39 HZ1 LYS 39 -14.215 -4.819 -6.401 305 HZ2 LYS 39 HZ2 LYS 39 -14.699 -3.253 -6.122 306 HZ3 LYS 39 HZ3 LYS 39 -15.277 -4.479 -5.193 307 H ASP 40 H ASP 40 -14.259 -4.035 0.299 308 HA ASP 40 HA ASP 40 -15.042 -6.638 1.222 309 HB2 ASP 40 HB2 ASP 40 -15.684 -4.319 2.213 310 HB3 ASP 40 HB3 ASP 40 -16.964 -4.345 0.949 311 H LYS 41 H LYS 41 -17.525 -7.259 0.745 312 HA LYS 41 HA LYS 41 -17.907 -7.357 -2.210 313 HB2 LYS 41 HB2 LYS 41 -19.173 -9.306 -1.831 314 HB3 LYS 41 HB3 LYS 41 -17.487 -9.573 -1.332 315 HG2 LYS 41 HG2 LYS 41 -18.391 -9.339 1.070 316 HG3 LYS 41 HG3 LYS 41 -20.002 -9.222 0.337 317 HD2 LYS 41 HD2 LYS 41 -19.893 -11.453 0.953 318 HD3 LYS 41 HD3 LYS 41 -19.528 -11.488 -0.779 319 HE2 LYS 41 HE2 LYS 41 -17.046 -11.456 -0.131 320 HE3 LYS 41 HE3 LYS 41 -17.557 -11.596 1.550 321 HZ1 LYS 41 HZ1 LYS 41 -17.041 -13.745 0.759 322 HZ2 LYS 41 HZ2 LYS 41 -17.949 -13.606 -0.588 323 HZ3 LYS 41 HZ3 LYS 41 -18.676 -13.713 0.866 324 H GLN 42 H GLN 42 -19.326 -6.798 0.833 325 HA GLN 42 HA GLN 42 -22.081 -6.315 -0.121 326 HB2 GLN 42 HB2 GLN 42 -20.833 -5.544 2.579 327 HB3 GLN 42 HB3 GLN 42 -22.462 -5.197 2.076 328 HG2 GLN 42 HG2 GLN 42 -22.673 -7.051 3.438 329 HG3 GLN 42 HG3 GLN 42 -22.903 -7.634 1.797 330 HE21 GLN 42 HE21 GLN 42 -19.522 -7.028 3.052 331 HE22 GLN 42 HE22 GLN 42 -19.231 -8.721 3.383 332 H THR 43 H THR 43 -19.624 -4.142 1.426 333 HA THR 43 HA THR 43 -21.079 -1.936 0.228 334 HB THR 43 HB THR 43 -20.366 -1.787 2.521 335 HG1 THR 43 HG1 THR 43 -19.870 0.210 2.461 336 HG21 THR 43 HG21 THR 43 -17.529 -1.917 1.462 337 HG22 THR 43 HG22 THR 43 -18.308 -3.023 2.608 338 HG23 THR 43 HG23 THR 43 -17.960 -1.362 3.086 339 H GLN 44 H GLN 44 -18.387 -3.813 -0.727 340 HA GLN 44 HA GLN 44 -16.697 -3.641 -2.198 341 HB2 GLN 44 HB2 GLN 44 -18.564 -1.796 -3.722 342 HB3 GLN 44 HB3 GLN 44 -17.121 -2.540 -4.378 343 HG2 GLN 44 HG2 GLN 44 -19.530 -4.099 -3.338 344 HG3 GLN 44 HG3 GLN 44 -19.268 -3.649 -5.018 345 HE21 GLN 44 HE21 GLN 44 -19.666 -6.239 -4.323 346 HE22 GLN 44 HE22 GLN 44 -18.194 -7.195 -4.461 347 H LEU 45 H LEU 45 -16.024 -2.349 -0.071 348 HA LEU 45 HA LEU 45 -14.658 0.124 -0.953 349 HB2 LEU 45 HB2 LEU 45 -15.871 -0.374 1.805 350 HB3 LEU 45 HB3 LEU 45 -14.837 0.971 1.379 351 HG LEU 45 HG LEU 45 -17.589 0.468 0.188 352 HD11 LEU 45 HD11 LEU 45 -17.677 1.085 2.577 353 HD12 LEU 45 HD12 LEU 45 -18.291 2.395 1.557 354 HD13 LEU 45 HD13 LEU 45 -16.666 2.509 2.263 355 HD21 LEU 45 HD21 LEU 45 -16.158 1.600 -1.385 356 HD22 LEU 45 HD22 LEU 45 -15.657 2.789 -0.161 357 HD23 LEU 45 HD23 LEU 45 -17.340 2.749 -0.737 358 H ASN 46 H ASN 46 -12.666 0.418 0.110 359 HA ASN 46 HA ASN 46 -11.049 -1.861 0.410 360 HB2 ASN 46 HB2 ASN 46 -10.676 0.970 1.481 361 HB3 ASN 46 HB3 ASN 46 -9.437 -0.218 1.420 362 HD21 ASN 46 HD21 ASN 46 -9.465 2.475 -0.042 363 HD22 ASN 46 HD22 ASN 46 -9.411 2.057 -1.703 364 H ARG 47 H ARG 47 -10.243 -3.038 2.331 365 HA ARG 47 HA ARG 47 -11.840 -2.850 4.785 366 HB2 ARG 47 HB2 ARG 47 -9.355 -4.378 3.994 367 HB3 ARG 47 HB3 ARG 47 -9.846 -4.311 5.680 368 HG2 ARG 47 HG2 ARG 47 -11.823 -5.162 3.563 369 HG3 ARG 47 HG3 ARG 47 -10.661 -6.312 4.235 370 HD2 ARG 47 HD2 ARG 47 -12.647 -4.740 5.898 371 HD3 ARG 47 HD3 ARG 47 -12.920 -6.371 5.250 372 HE ARG 47 HE ARG 47 -10.639 -6.790 6.580 373 HH11 ARG 47 HH11 ARG 47 -13.878 -5.607 7.518 374 HH12 ARG 47 HH12 ARG 47 -13.670 -6.056 9.178 375 HH21 ARG 47 HH21 ARG 47 -10.442 -7.443 8.864 376 HH22 ARG 47 HH22 ARG 47 -11.861 -7.284 9.821 377 H GLY 48 H GLY 48 -9.123 -1.098 3.570 378 HA2 GLY 48 HA2 GLY 48 -8.687 0.950 4.426 379 HA3 GLY 48 HA3 GLY 48 -9.088 0.465 6.069 380 H PHE 49 H PHE 49 -7.130 -1.796 4.302 381 HA PHE 49 HA PHE 49 -4.579 -0.548 4.790 382 HB2 PHE 49 HB2 PHE 49 -3.813 -2.835 5.754 383 HB3 PHE 49 HB3 PHE 49 -4.566 -1.667 6.794 384 HD1 PHE 49 HD1 PHE 49 -5.201 -4.811 4.895 385 HD2 PHE 49 HD2 PHE 49 -6.659 -2.148 7.952 386 HE1 PHE 49 HE1 PHE 49 -6.795 -6.562 5.669 387 HE2 PHE 49 HE2 PHE 49 -8.267 -3.870 8.687 388 HZ PHE 49 HZ PHE 49 -8.318 -6.097 7.574 389 H ALA 50 H ALA 50 -3.148 -1.205 3.080 390 HA ALA 50 HA ALA 50 -4.257 -3.196 1.137 391 HB1 ALA 50 HB1 ALA 50 -2.437 -0.908 0.340 392 HB2 ALA 50 HB2 ALA 50 -3.403 -1.960 -0.690 393 HB3 ALA 50 HB3 ALA 50 -4.200 -0.734 0.294 394 H PHE 51 H PHE 51 -2.734 -4.468 -0.014 395 HA PHE 51 HA PHE 51 -0.176 -4.948 1.466 396 HB2 PHE 51 HB2 PHE 51 -2.100 -6.752 -0.049 397 HB3 PHE 51 HB3 PHE 51 -0.448 -7.222 0.287 398 HD1 PHE 51 HD1 PHE 51 -0.321 -8.835 1.983 399 HD2 PHE 51 HD2 PHE 51 -3.232 -5.685 2.302 400 HE1 PHE 51 HE1 PHE 51 -1.053 -9.756 4.141 401 HE2 PHE 51 HE2 PHE 51 -3.977 -6.624 4.503 402 HZ PHE 51 HZ PHE 51 -2.883 -8.647 5.424 403 H ILE 52 H ILE 52 0.915 -3.381 0.246 404 HA ILE 52 HA ILE 52 0.997 -3.493 -2.713 405 HB ILE 52 HB ILE 52 2.697 -1.980 -0.734 406 HG12 ILE 52 HG12 ILE 52 0.369 -1.232 -0.793 407 HG13 ILE 52 HG13 ILE 52 1.511 -0.018 -1.380 408 HG21 ILE 52 HG21 ILE 52 2.819 -1.777 -3.751 409 HG22 ILE 52 HG22 ILE 52 3.510 -0.594 -2.624 410 HG23 ILE 52 HG23 ILE 52 4.114 -2.249 -2.635 411 HD11 ILE 52 HD11 ILE 52 -0.670 -0.164 -2.625 412 HD12 ILE 52 HD12 ILE 52 0.794 -0.211 -3.596 413 HD13 ILE 52 HD13 ILE 52 -0.112 -1.707 -3.293 414 H GLN 53 H GLN 53 2.696 -4.288 -3.935 415 HA GLN 53 HA GLN 53 4.387 -6.372 -2.667 416 HB2 GLN 53 HB2 GLN 53 2.625 -7.193 -4.231 417 HB3 GLN 53 HB3 GLN 53 3.191 -6.073 -5.468 418 HG2 GLN 53 HG2 GLN 53 4.774 -7.487 -6.181 419 HG3 GLN 53 HG3 GLN 53 5.371 -7.775 -4.557 420 HE21 GLN 53 HE21 GLN 53 4.313 -9.417 -3.270 421 HE22 GLN 53 HE22 GLN 53 3.523 -10.770 -3.995 422 H LEU 54 H LEU 54 6.505 -6.251 -3.209 423 HA LEU 54 HA LEU 54 7.536 -4.020 -4.850 424 HB2 LEU 54 HB2 LEU 54 8.210 -4.977 -2.136 425 HB3 LEU 54 HB3 LEU 54 9.601 -5.127 -3.133 426 HG LEU 54 HG LEU 54 9.537 -2.996 -1.996 427 HD11 LEU 54 HD11 LEU 54 10.507 -3.318 -4.284 428 HD12 LEU 54 HD12 LEU 54 10.103 -1.645 -3.914 429 HD13 LEU 54 HD13 LEU 54 9.075 -2.605 -4.986 430 HD21 LEU 54 HD21 LEU 54 6.991 -2.299 -3.528 431 HD22 LEU 54 HD22 LEU 54 7.769 -1.393 -2.208 432 HD23 LEU 54 HD23 LEU 54 6.988 -2.946 -1.891 433 H SER 55 H SER 55 9.994 -4.652 -5.541 434 HA SER 55 HA SER 55 10.054 -7.046 -7.070 435 HB2 SER 55 HB2 SER 55 12.334 -5.389 -5.895 436 HB3 SER 55 HB3 SER 55 12.492 -6.640 -7.144 437 HG SER 55 HG SER 55 11.613 -4.023 -7.358 438 H THR 56 H THR 56 11.546 -6.364 -3.774 439 HA THR 56 HA THR 56 11.497 -9.252 -3.221 440 HB THR 56 HB THR 56 13.950 -9.061 -2.628 441 HG1 THR 56 HG1 THR 56 14.840 -7.123 -3.992 442 HG21 THR 56 HG21 THR 56 14.837 -9.354 -4.819 443 HG22 THR 56 HG22 THR 56 13.520 -8.432 -5.573 444 HG23 THR 56 HG23 THR 56 13.192 -10.011 -4.827 445 H ILE 57 H ILE 57 12.417 -9.622 -0.941 446 HA ILE 57 HA ILE 57 11.140 -7.962 0.957 447 HB ILE 57 HB ILE 57 12.344 -9.178 2.660 448 HG12 ILE 57 HG12 ILE 57 13.873 -11.207 1.632 449 HG13 ILE 57 HG13 ILE 57 14.324 -9.917 0.531 450 HG21 ILE 57 HG21 ILE 57 10.473 -10.244 1.551 451 HG22 ILE 57 HG22 ILE 57 11.601 -11.127 0.486 452 HG23 ILE 57 HG23 ILE 57 11.615 -11.418 2.226 453 HD11 ILE 57 HD11 ILE 57 14.980 -8.515 2.519 454 HD12 ILE 57 HD12 ILE 57 14.437 -9.823 3.594 455 HD13 ILE 57 HD13 ILE 57 15.817 -10.070 2.519 456 H VAL 58 H VAL 58 14.277 -7.848 -0.495 457 HA VAL 58 HA VAL 58 15.630 -6.126 1.345 458 HB VAL 58 HB VAL 58 16.236 -6.567 -1.619 459 HG11 VAL 58 HG11 VAL 58 17.984 -5.862 0.774 460 HG12 VAL 58 HG12 VAL 58 18.579 -6.171 -0.875 461 HG13 VAL 58 HG13 VAL 58 17.551 -4.778 -0.554 462 HG21 VAL 58 HG21 VAL 58 17.766 -8.395 -0.839 463 HG22 VAL 58 HG22 VAL 58 17.036 -8.284 0.775 464 HG23 VAL 58 HG23 VAL 58 16.068 -8.792 -0.627 465 H GLU 59 H GLU 59 13.959 -5.586 -1.830 466 HA GLU 59 HA GLU 59 14.135 -2.716 -1.634 467 HB2 GLU 59 HB2 GLU 59 12.226 -4.477 -3.207 468 HB3 GLU 59 HB3 GLU 59 12.326 -2.710 -3.301 469 HG2 GLU 59 HG2 GLU 59 14.448 -4.677 -4.126 470 HG3 GLU 59 HG3 GLU 59 13.531 -3.595 -5.154 471 H ALA 60 H ALA 60 11.745 -5.073 -0.380 472 HA ALA 60 HA ALA 60 9.821 -3.198 0.350 473 HB1 ALA 60 HB1 ALA 60 9.469 -5.627 0.527 474 HB2 ALA 60 HB2 ALA 60 10.564 -5.690 1.928 475 HB3 ALA 60 HB3 ALA 60 9.043 -4.796 2.032 476 H ALA 61 H ALA 61 12.737 -4.114 2.213 477 HA ALA 61 HA ALA 61 12.121 -2.254 4.362 478 HB1 ALA 61 HB1 ALA 61 13.436 -4.217 4.827 479 HB2 ALA 61 HB2 ALA 61 14.682 -3.682 3.664 480 HB3 ALA 61 HB3 ALA 61 14.379 -2.760 5.163 481 H GLN 62 H GLN 62 14.060 -2.016 1.387 482 HA GLN 62 HA GLN 62 15.328 0.490 2.035 483 HB2 GLN 62 HB2 GLN 62 14.757 -0.961 -0.522 484 HB3 GLN 62 HB3 GLN 62 15.401 0.671 -0.552 485 HG2 GLN 62 HG2 GLN 62 17.381 0.121 0.614 486 HG3 GLN 62 HG3 GLN 62 16.754 -1.457 1.120 487 HE21 GLN 62 HE21 GLN 62 15.988 -2.830 -0.764 488 HE22 GLN 62 HE22 GLN 62 16.576 -2.489 -2.369 489 H LEU 63 H LEU 63 12.468 -0.224 -0.101 490 HA LEU 63 HA LEU 63 11.869 2.489 -0.498 491 HB2 LEU 63 HB2 LEU 63 10.214 -0.024 -0.780 492 HB3 LEU 63 HB3 LEU 63 9.437 1.547 -0.813 493 HG LEU 63 HG LEU 63 11.062 2.312 -2.573 494 HD11 LEU 63 HD11 LEU 63 12.079 0.428 -3.950 495 HD12 LEU 63 HD12 LEU 63 11.659 -0.664 -2.628 496 HD13 LEU 63 HD13 LEU 63 12.809 0.649 -2.373 497 HD21 LEU 63 HD21 LEU 63 9.062 0.110 -3.159 498 HD22 LEU 63 HD22 LEU 63 9.684 1.246 -4.359 499 HD23 LEU 63 HD23 LEU 63 8.715 1.826 -3.006 500 H LEU 64 H LEU 64 10.725 0.378 2.208 501 HA LEU 64 HA LEU 64 8.891 2.134 3.280 502 HB2 LEU 64 HB2 LEU 64 10.033 -0.193 4.169 503 HB3 LEU 64 HB3 LEU 64 10.871 0.954 5.229 504 HG LEU 64 HG LEU 64 9.054 -0.097 6.341 505 HD11 LEU 64 HD11 LEU 64 7.978 1.809 7.319 506 HD12 LEU 64 HD12 LEU 64 8.435 2.828 5.950 507 HD13 LEU 64 HD13 LEU 64 9.684 2.149 7.022 508 HD21 LEU 64 HD21 LEU 64 7.609 -0.578 4.451 509 HD22 LEU 64 HD22 LEU 64 7.190 1.128 4.284 510 HD23 LEU 64 HD23 LEU 64 6.714 0.221 5.753 511 H GLN 65 H GLN 65 12.469 2.314 3.488 512 HA GLN 65 HA GLN 65 12.301 4.586 5.348 513 HB2 GLN 65 HB2 GLN 65 14.627 4.431 5.627 514 HB3 GLN 65 HB3 GLN 65 13.869 2.869 5.882 515 HG2 GLN 65 HG2 GLN 65 14.742 2.001 3.822 516 HG3 GLN 65 HG3 GLN 65 15.325 3.601 3.320 517 HE21 GLN 65 HE21 GLN 65 15.901 0.877 5.562 518 HE22 GLN 65 HE22 GLN 65 17.430 1.515 6.135 519 H ILE 66 H ILE 66 13.085 4.029 1.931 520 HA ILE 66 HA ILE 66 14.095 6.708 1.502 521 HB ILE 66 HB ILE 66 13.023 4.692 -0.499 522 HG12 ILE 66 HG12 ILE 66 15.969 5.214 0.024 523 HG13 ILE 66 HG13 ILE 66 15.117 4.022 0.970 524 HG21 ILE 66 HG21 ILE 66 14.394 5.983 -2.163 525 HG22 ILE 66 HG22 ILE 66 13.100 6.957 -1.464 526 HG23 ILE 66 HG23 ILE 66 14.766 7.167 -0.897 527 HD11 ILE 66 HD11 ILE 66 15.479 3.957 -2.043 528 HD12 ILE 66 HD12 ILE 66 16.194 2.880 -0.824 529 HD13 ILE 66 HD13 ILE 66 14.451 2.830 -1.129 530 H LEU 67 H LEU 67 10.897 5.115 0.962 531 HA LEU 67 HA LEU 67 9.567 7.260 -0.297 532 HB2 LEU 67 HB2 LEU 67 8.632 4.982 1.490 533 HB3 LEU 67 HB3 LEU 67 7.509 6.171 0.934 534 HG LEU 67 HG LEU 67 7.878 3.879 -0.321 535 HD11 LEU 67 HD11 LEU 67 6.213 5.653 -0.873 536 HD12 LEU 67 HD12 LEU 67 6.884 4.915 -2.331 537 HD13 LEU 67 HD13 LEU 67 7.439 6.523 -1.804 538 HD21 LEU 67 HD21 LEU 67 9.168 4.061 -2.387 539 HD22 LEU 67 HD22 LEU 67 10.257 4.237 -1.014 540 HD23 LEU 67 HD23 LEU 67 9.769 5.666 -1.931 541 H GLN 68 H GLN 68 9.766 6.444 3.196 542 HA GLN 68 HA GLN 68 8.186 8.713 3.930 543 HB2 GLN 68 HB2 GLN 68 9.254 6.425 5.245 544 HB3 GLN 68 HB3 GLN 68 9.961 7.816 6.080 545 HG2 GLN 68 HG2 GLN 68 7.527 8.780 6.027 546 HG3 GLN 68 HG3 GLN 68 7.028 7.117 5.719 547 HE21 GLN 68 HE21 GLN 68 8.770 5.616 7.476 548 HE22 GLN 68 HE22 GLN 68 8.470 6.209 9.095 549 H ALA 69 H ALA 69 11.521 8.567 3.015 550 HA ALA 69 HA ALA 69 12.303 10.958 4.526 551 HB1 ALA 69 HB1 ALA 69 14.346 10.853 3.202 552 HB2 ALA 69 HB2 ALA 69 13.981 9.237 3.828 553 HB3 ALA 69 HB3 ALA 69 13.650 9.641 2.125 554 H LEU 70 H LEU 70 10.424 10.298 1.663 555 HA LEU 70 HA LEU 70 10.837 13.028 0.599 556 HB2 LEU 70 HB2 LEU 70 9.252 10.703 -0.566 557 HB3 LEU 70 HB3 LEU 70 9.626 12.228 -1.363 558 HG LEU 70 HG LEU 70 11.614 10.068 -0.581 559 HD11 LEU 70 HD11 LEU 70 10.670 10.988 -3.318 560 HD12 LEU 70 HD12 LEU 70 10.229 9.469 -2.507 561 HD13 LEU 70 HD13 LEU 70 11.905 9.751 -2.993 562 HD21 LEU 70 HD21 LEU 70 13.285 11.419 -1.855 563 HD22 LEU 70 HD22 LEU 70 12.736 12.185 -0.365 564 HD23 LEU 70 HD23 LEU 70 12.103 12.749 -1.930 565 H HIS 71 H HIS 71 8.781 14.041 -0.136 566 HA HIS 71 HA HIS 71 6.408 13.378 1.514 567 HB2 HIS 71 HB2 HIS 71 7.645 15.201 2.684 568 HB3 HIS 71 HB3 HIS 71 7.433 16.229 1.267 569 HD1 HIS 71 HD1 HIS 71 5.635 15.138 4.399 570 HD2 HIS 71 HD2 HIS 71 4.713 16.758 0.607 571 HE1 HIS 71 HE1 HIS 71 3.243 15.920 4.523 572 HA PRO 72 HA PRO 72 5.487 14.017 -2.990 573 HB2 PRO 72 HB2 PRO 72 3.750 11.909 -3.323 574 HB3 PRO 72 HB3 PRO 72 5.525 11.724 -3.379 575 HG2 PRO 72 HG2 PRO 72 3.672 11.302 -1.023 576 HG3 PRO 72 HG3 PRO 72 4.904 10.162 -1.646 577 HD2 PRO 72 HD2 PRO 72 5.425 11.796 0.446 578 HD3 PRO 72 HD3 PRO 72 6.678 11.508 -0.795 579 HA PRO 73 HA PRO 73 1.101 15.384 -2.201 580 HB2 PRO 73 HB2 PRO 73 -0.132 14.749 -4.561 581 HB3 PRO 73 HB3 PRO 73 0.853 16.211 -4.316 582 HG2 PRO 73 HG2 PRO 73 1.665 13.637 -5.657 583 HG3 PRO 73 HG3 PRO 73 2.013 15.319 -6.156 584 HD2 PRO 73 HD2 PRO 73 3.810 13.730 -4.793 585 HD3 PRO 73 HD3 PRO 73 3.774 15.508 -4.630 586 H LEU 74 H LEU 74 0.505 13.843 -0.618 587 HA LEU 74 HA LEU 74 -0.307 11.192 -1.554 588 HB2 LEU 74 HB2 LEU 74 1.822 11.937 0.225 589 HB3 LEU 74 HB3 LEU 74 0.547 11.361 1.272 590 HG LEU 74 HG LEU 74 1.743 9.852 -1.095 591 HD11 LEU 74 HD11 LEU 74 2.690 8.357 0.609 592 HD12 LEU 74 HD12 LEU 74 1.971 9.328 1.914 593 HD13 LEU 74 HD13 LEU 74 3.248 10.004 0.891 594 HD21 LEU 74 HD21 LEU 74 0.406 7.943 -0.277 595 HD22 LEU 74 HD22 LEU 74 -0.634 9.282 -0.766 596 HD23 LEU 74 HD23 LEU 74 -0.317 8.994 0.968 597 H THR 75 H THR 75 -1.430 10.445 0.834 598 HA THR 75 HA THR 75 -3.063 10.594 2.329 599 HB THR 75 HB THR 75 -3.084 13.555 1.984 600 HG1 THR 75 HG1 THR 75 -1.366 13.725 3.301 601 HG21 THR 75 HG21 THR 75 -3.613 13.699 4.321 602 HG22 THR 75 HG22 THR 75 -3.442 11.956 4.530 603 HG23 THR 75 HG23 THR 75 -4.749 12.605 3.529 604 H ILE 76 H ILE 76 -4.558 9.555 1.040 605 HA ILE 76 HA ILE 76 -6.264 11.252 -0.727 606 HB ILE 76 HB ILE 76 -6.460 8.241 -0.477 607 HG12 ILE 76 HG12 ILE 76 -4.676 9.856 -2.371 608 HG13 ILE 76 HG13 ILE 76 -4.131 8.735 -1.116 609 HG21 ILE 76 HG21 ILE 76 -7.544 8.498 -2.708 610 HG22 ILE 76 HG22 ILE 76 -8.349 9.583 -1.570 611 HG23 ILE 76 HG23 ILE 76 -7.162 10.218 -2.704 612 HD11 ILE 76 HD11 ILE 76 -5.544 8.013 -3.692 613 HD12 ILE 76 HD12 ILE 76 -3.935 7.546 -3.142 614 HD13 ILE 76 HD13 ILE 76 -5.362 6.892 -2.319 615 H ASP 77 H ASP 77 -8.435 11.643 -0.241 616 HA ASP 77 HA ASP 77 -10.113 12.259 1.123 617 HB2 ASP 77 HB2 ASP 77 -10.587 9.872 0.541 618 HB3 ASP 77 HB3 ASP 77 -10.040 9.438 2.175 619 H GLY 78 H GLY 78 -7.395 12.643 2.260 620 HA2 GLY 78 HA2 GLY 78 -6.602 13.689 4.184 621 HA3 GLY 78 HA3 GLY 78 -8.177 13.476 4.932 622 H LYS 79 H LYS 79 -6.815 10.537 3.659 623 HA LYS 79 HA LYS 79 -6.082 9.672 6.418 624 HB2 LYS 79 HB2 LYS 79 -6.806 7.954 4.013 625 HB3 LYS 79 HB3 LYS 79 -6.474 7.444 5.658 626 HG2 LYS 79 HG2 LYS 79 -8.912 8.977 4.730 627 HG3 LYS 79 HG3 LYS 79 -8.825 7.286 5.233 628 HD2 LYS 79 HD2 LYS 79 -8.166 7.963 7.507 629 HD3 LYS 79 HD3 LYS 79 -8.371 9.670 7.036 630 HE2 LYS 79 HE2 LYS 79 -10.775 8.918 6.327 631 HE3 LYS 79 HE3 LYS 79 -10.462 7.474 7.320 632 HZ1 LYS 79 HZ1 LYS 79 -11.529 9.214 8.628 633 HZ2 LYS 79 HZ2 LYS 79 -10.398 10.297 8.153 634 HZ3 LYS 79 HZ3 LYS 79 -9.977 9.059 9.169 635 H THR 80 H THR 80 -3.919 9.528 6.733 636 HA THR 80 HA THR 80 -2.251 10.146 4.475 637 HB THR 80 HB THR 80 -1.214 9.839 7.291 638 HG1 THR 80 HG1 THR 80 -2.318 12.217 7.208 639 HG21 THR 80 HG21 THR 80 0.117 10.694 5.317 640 HG22 THR 80 HG22 THR 80 0.083 11.752 6.744 641 HG23 THR 80 HG23 THR 80 -0.931 12.137 5.342 642 H ILE 81 H ILE 81 -1.955 8.343 3.309 643 HA ILE 81 HA ILE 81 -1.949 5.748 4.123 644 HB ILE 81 HB ILE 81 -0.288 6.653 1.752 645 HG12 ILE 81 HG12 ILE 81 -2.312 7.886 1.370 646 HG13 ILE 81 HG13 ILE 81 -2.369 6.454 0.354 647 HG21 ILE 81 HG21 ILE 81 -0.200 4.323 2.360 648 HG22 ILE 81 HG22 ILE 81 -1.963 4.231 2.452 649 HG23 ILE 81 HG23 ILE 81 -1.155 4.492 0.872 650 HD11 ILE 81 HD11 ILE 81 -3.873 6.896 2.985 651 HD12 ILE 81 HD12 ILE 81 -4.563 6.872 1.353 652 HD13 ILE 81 HD13 ILE 81 -3.906 5.396 2.084 653 H ASN 82 H ASN 82 -0.792 4.839 5.729 654 HA ASN 82 HA ASN 82 1.822 5.884 6.348 655 HB2 ASN 82 HB2 ASN 82 -0.179 4.994 7.931 656 HB3 ASN 82 HB3 ASN 82 0.749 3.496 7.783 657 HD21 ASN 82 HD21 ASN 82 0.602 4.460 10.327 658 HD22 ASN 82 HD22 ASN 82 2.071 5.356 10.665 659 H VAL 83 H VAL 83 3.450 4.104 7.250 660 HA VAL 83 HA VAL 83 3.938 2.141 5.091 661 HB VAL 83 HB VAL 83 6.296 2.796 5.327 662 HG11 VAL 83 HG11 VAL 83 6.169 4.864 4.080 663 HG12 VAL 83 HG12 VAL 83 4.854 3.816 3.565 664 HG13 VAL 83 HG13 VAL 83 4.522 5.174 4.652 665 HG21 VAL 83 HG21 VAL 83 5.329 5.173 6.974 666 HG22 VAL 83 HG22 VAL 83 6.270 3.819 7.624 667 HG23 VAL 83 HG23 VAL 83 6.967 4.853 6.381 668 H GLU 84 H GLU 84 2.775 0.598 6.403 669 HA GLU 84 HA GLU 84 4.343 -0.487 8.700 670 HB2 GLU 84 HB2 GLU 84 1.507 -0.991 7.737 671 HB3 GLU 84 HB3 GLU 84 2.254 -1.873 9.062 672 HG2 GLU 84 HG2 GLU 84 2.017 1.172 9.112 673 HG3 GLU 84 HG3 GLU 84 0.707 0.116 9.563 674 H PHE 85 H PHE 85 4.079 -3.136 8.671 675 HA PHE 85 HA PHE 85 4.823 -4.041 5.928 676 HB2 PHE 85 HB2 PHE 85 6.154 -4.529 8.589 677 HB3 PHE 85 HB3 PHE 85 6.279 -5.730 7.318 678 HD1 PHE 85 HD1 PHE 85 8.331 -3.620 8.773 679 HD2 PHE 85 HD2 PHE 85 6.677 -4.225 4.818 680 HE1 PHE 85 HE1 PHE 85 10.325 -2.531 7.737 681 HE2 PHE 85 HE2 PHE 85 8.597 -3.048 3.840 682 HZ PHE 85 HZ PHE 85 10.382 -2.162 5.301 683 H ALA 86 H ALA 86 4.637 -6.349 5.542 684 HA ALA 86 HA ALA 86 2.164 -7.407 6.755 685 HB1 ALA 86 HB1 ALA 86 2.106 -7.013 4.329 686 HB2 ALA 86 HB2 ALA 86 3.516 -8.068 4.117 687 HB3 ALA 86 HB3 ALA 86 1.983 -8.740 4.708 688 H LYS 87 H LYS 87 3.000 -8.444 8.622 689 HA LYS 87 HA LYS 87 4.451 -10.974 8.001 690 HB2 LYS 87 HB2 LYS 87 5.871 -9.669 9.451 691 HB3 LYS 87 HB3 LYS 87 4.541 -9.322 10.546 692 HG2 LYS 87 HG2 LYS 87 4.365 -11.773 11.078 693 HG3 LYS 87 HG3 LYS 87 5.773 -12.077 10.046 694 HD2 LYS 87 HD2 LYS 87 7.175 -10.711 11.503 695 HD3 LYS 87 HD3 LYS 87 5.746 -10.116 12.370 696 HE2 LYS 87 HE2 LYS 87 5.274 -12.433 13.158 697 HE3 LYS 87 HE3 LYS 87 6.818 -12.948 12.452 698 HZ1 LYS 87 HZ1 LYS 87 7.121 -12.397 14.768 699 HZ2 LYS 87 HZ2 LYS 87 6.466 -10.891 14.554 700 HZ3 LYS 87 HZ3 LYS 87 7.896 -11.277 13.861 701 H GLY 88 H GLY 88 2.319 -9.585 10.538 702 HA2 GLY 88 HA2 GLY 88 1.095 -12.121 11.087 703 HA3 GLY 88 HA3 GLY 88 0.685 -10.559 11.802 704 H SER 89 H SER 89 0.289 -12.555 8.862 705 HA SER 89 HA SER 89 -2.524 -11.766 8.655 706 HB2 SER 89 HB2 SER 89 -2.119 -11.803 6.073 707 HB3 SER 89 HB3 SER 89 -1.823 -10.327 6.994 708 HG SER 89 HG SER 89 0.046 -12.217 6.030 Start of MODEL 11 1 H1 GLY 1 H GLY 1 8.801 -16.247 4.743 2 HA2 GLY 1 HA2 GLY 1 9.377 -13.848 6.394 3 HA3 GLY 1 HA3 GLY 1 10.600 -14.727 5.431 4 H HIS 2 H HIS 2 8.586 -12.075 5.423 5 HA HIS 2 HA HIS 2 7.983 -12.122 2.493 6 HB2 HIS 2 HB2 HIS 2 6.382 -10.219 3.442 7 HB3 HIS 2 HB3 HIS 2 5.957 -11.906 3.361 8 HD1 HIS 2 HD1 HIS 2 5.836 -13.285 5.749 9 HD2 HIS 2 HD2 HIS 2 7.035 -9.240 5.979 10 HE1 HIS 2 HE1 HIS 2 6.384 -12.829 8.178 11 H MET 3 H MET 3 8.131 -9.321 4.652 12 HA MET 3 HA MET 3 9.200 -7.362 4.494 13 HB2 MET 3 HB2 MET 3 11.332 -8.742 4.402 14 HB3 MET 3 HB3 MET 3 11.287 -8.552 2.642 15 HG2 MET 3 HG2 MET 3 11.503 -6.175 2.815 16 HG3 MET 3 HG3 MET 3 11.366 -6.232 4.582 17 HE1 MET 3 HE1 MET 3 13.395 -5.844 5.930 18 HE2 MET 3 HE2 MET 3 13.219 -7.600 6.145 19 HE3 MET 3 HE3 MET 3 14.822 -6.887 5.850 20 H ASP 4 H ASP 4 9.059 -9.091 1.295 21 HA ASP 4 HA ASP 4 8.589 -7.015 -0.446 22 HB2 ASP 4 HB2 ASP 4 7.523 -8.657 -1.870 23 HB3 ASP 4 HB3 ASP 4 9.011 -9.251 -1.223 24 H THR 5 H THR 5 6.368 -8.407 1.782 25 HA THR 5 HA THR 5 4.038 -7.146 0.479 26 HB THR 5 HB THR 5 4.082 -8.977 2.897 27 HG1 THR 5 HG1 THR 5 5.098 -9.933 1.008 28 HG21 THR 5 HG21 THR 5 1.912 -7.753 2.403 29 HG22 THR 5 HG22 THR 5 1.782 -9.507 2.161 30 HG23 THR 5 HG23 THR 5 1.955 -8.416 0.774 31 H ILE 6 H ILE 6 3.247 -5.226 1.054 32 HA ILE 6 HA ILE 6 4.225 -3.959 3.564 33 HB ILE 6 HB ILE 6 4.115 -2.753 0.777 34 HG12 ILE 6 HG12 ILE 6 6.401 -3.894 2.422 35 HG13 ILE 6 HG13 ILE 6 5.952 -4.263 0.764 36 HG21 ILE 6 HG21 ILE 6 3.760 -1.139 2.728 37 HG22 ILE 6 HG22 ILE 6 5.424 -1.548 3.235 38 HG23 ILE 6 HG23 ILE 6 5.118 -0.796 1.674 39 HD11 ILE 6 HD11 ILE 6 7.960 -2.995 0.663 40 HD12 ILE 6 HD12 ILE 6 6.672 -1.882 0.161 41 HD13 ILE 6 HD13 ILE 6 7.369 -1.778 1.793 42 H ILE 7 H ILE 7 2.840 -2.532 4.555 43 HA ILE 7 HA ILE 7 0.000 -2.723 3.826 44 HB ILE 7 HB ILE 7 1.265 -2.076 6.496 45 HG12 ILE 7 HG12 ILE 7 -0.076 -4.552 5.374 46 HG13 ILE 7 HG13 ILE 7 1.523 -4.368 6.055 47 HG21 ILE 7 HG21 ILE 7 -1.018 -2.048 7.407 48 HG22 ILE 7 HG22 ILE 7 -0.812 -0.802 6.202 49 HG23 ILE 7 HG23 ILE 7 -1.662 -2.309 5.763 50 HD11 ILE 7 HD11 ILE 7 0.184 -5.549 7.648 51 HD12 ILE 7 HD12 ILE 7 0.483 -3.931 8.306 52 HD13 ILE 7 HD13 ILE 7 -1.097 -4.346 7.570 53 H LEU 8 H LEU 8 -0.941 -1.075 3.042 54 HA LEU 8 HA LEU 8 0.171 1.703 3.291 55 HB2 LEU 8 HB2 LEU 8 -1.962 0.546 1.442 56 HB3 LEU 8 HB3 LEU 8 -1.544 2.211 1.531 57 HG LEU 8 HG LEU 8 -0.560 0.770 -0.391 58 HD11 LEU 8 HD11 LEU 8 1.155 2.738 1.156 59 HD12 LEU 8 HD12 LEU 8 -0.038 3.106 -0.118 60 HD13 LEU 8 HD13 LEU 8 1.424 2.227 -0.525 61 HD21 LEU 8 HD21 LEU 8 0.604 -0.989 0.932 62 HD22 LEU 8 HD22 LEU 8 1.634 0.264 1.664 63 HD23 LEU 8 HD23 LEU 8 1.743 -0.052 -0.050 64 H ARG 9 H ARG 9 -0.452 1.781 5.513 65 HA ARG 9 HA ARG 9 -3.197 1.301 6.371 66 HB2 ARG 9 HB2 ARG 9 -0.685 1.656 7.638 67 HB3 ARG 9 HB3 ARG 9 -1.571 3.107 8.063 68 HG2 ARG 9 HG2 ARG 9 -2.636 0.300 8.507 69 HG3 ARG 9 HG3 ARG 9 -1.703 1.226 9.684 70 HD2 ARG 9 HD2 ARG 9 -3.529 3.107 9.252 71 HD3 ARG 9 HD3 ARG 9 -4.514 1.721 8.701 72 HE ARG 9 HE ARG 9 -3.204 1.279 11.250 73 HH11 ARG 9 HH11 ARG 9 -6.138 2.792 9.872 74 HH12 ARG 9 HH12 ARG 9 -6.763 3.174 11.445 75 HH21 ARG 9 HH21 ARG 9 -4.145 1.673 13.228 76 HH22 ARG 9 HH22 ARG 9 -5.737 2.406 13.335 77 H ASN 10 H ASN 10 -4.458 3.219 7.326 78 HA ASN 10 HA ASN 10 -5.554 5.176 7.145 79 HB2 ASN 10 HB2 ASN 10 -2.844 6.093 6.309 80 HB3 ASN 10 HB3 ASN 10 -4.171 7.100 5.793 81 HD21 ASN 10 HD21 ASN 10 -1.973 7.420 7.725 82 HD22 ASN 10 HD22 ASN 10 -2.685 7.950 9.209 83 H LEU 11 H LEU 11 -5.420 3.016 4.886 84 HA LEU 11 HA LEU 11 -6.148 4.463 2.495 85 HB2 LEU 11 HB2 LEU 11 -5.738 1.730 3.321 86 HB3 LEU 11 HB3 LEU 11 -7.368 1.826 2.698 87 HG LEU 11 HG LEU 11 -5.606 1.153 1.079 88 HD11 LEU 11 HD11 LEU 11 -7.809 2.267 0.425 89 HD12 LEU 11 HD12 LEU 11 -6.519 2.397 -0.776 90 HD13 LEU 11 HD13 LEU 11 -6.920 3.784 0.262 91 HD21 LEU 11 HD21 LEU 11 -3.853 2.782 1.961 92 HD22 LEU 11 HD22 LEU 11 -4.616 3.987 0.905 93 HD23 LEU 11 HD23 LEU 11 -3.948 2.498 0.218 94 H ASN 12 H ASN 12 -8.173 5.200 1.880 95 HA ASN 12 HA ASN 12 -10.303 5.327 3.904 96 HB2 ASN 12 HB2 ASN 12 -9.262 7.411 2.782 97 HB3 ASN 12 HB3 ASN 12 -10.045 6.895 1.310 98 HD21 ASN 12 HD21 ASN 12 -11.944 7.953 0.992 99 HD22 ASN 12 HD22 ASN 12 -13.129 8.228 2.249 100 HA PRO 13 HA PRO 13 -12.494 2.257 1.780 101 HB2 PRO 13 HB2 PRO 13 -15.181 2.939 2.039 102 HB3 PRO 13 HB3 PRO 13 -14.150 2.227 3.312 103 HG2 PRO 13 HG2 PRO 13 -14.772 5.148 2.808 104 HG3 PRO 13 HG3 PRO 13 -14.802 4.265 4.360 105 HD2 PRO 13 HD2 PRO 13 -12.712 5.750 3.754 106 HD3 PRO 13 HD3 PRO 13 -12.371 4.158 4.412 107 H HIS 14 H HIS 14 -13.037 5.386 0.499 108 HA HIS 14 HA HIS 14 -13.955 4.232 -2.096 109 HB2 HIS 14 HB2 HIS 14 -14.217 6.928 -0.814 110 HB3 HIS 14 HB3 HIS 14 -14.396 6.756 -2.553 111 HD1 HIS 14 HD1 HIS 14 -16.869 6.662 -3.170 112 HD2 HIS 14 HD2 HIS 14 -15.962 4.749 0.481 113 HE1 HIS 14 HE1 HIS 14 -19.002 5.491 -2.405 114 H SER 15 H SER 15 -11.047 5.378 -0.666 115 HA SER 15 HA SER 15 -10.051 7.050 -2.657 116 HB2 SER 15 HB2 SER 15 -9.086 6.392 -0.338 117 HB3 SER 15 HB3 SER 15 -8.291 5.066 -1.186 118 HG SER 15 HG SER 15 -8.036 7.874 -1.558 119 H THR 16 H THR 16 -8.728 6.745 -4.465 120 HA THR 16 HA THR 16 -9.319 4.264 -5.870 121 HB THR 16 HB THR 16 -8.518 5.675 -7.848 122 HG1 THR 16 HG1 THR 16 -7.455 7.333 -6.683 123 HG21 THR 16 HG21 THR 16 -10.910 5.251 -7.279 124 HG22 THR 16 HG22 THR 16 -10.656 6.860 -7.958 125 HG23 THR 16 HG23 THR 16 -10.904 6.671 -6.211 126 H MET 17 H MET 17 -7.895 2.668 -5.814 127 HA MET 17 HA MET 17 -5.389 2.910 -4.552 128 HB2 MET 17 HB2 MET 17 -4.816 0.768 -5.295 129 HB3 MET 17 HB3 MET 17 -6.521 0.748 -4.889 130 HG2 MET 17 HG2 MET 17 -6.460 1.227 -7.692 131 HG3 MET 17 HG3 MET 17 -5.158 0.162 -7.321 132 HE1 MET 17 HE1 MET 17 -9.054 0.420 -7.696 133 HE2 MET 17 HE2 MET 17 -9.604 -0.883 -6.631 134 HE3 MET 17 HE3 MET 17 -8.817 0.550 -5.933 135 H ASP 18 H ASP 18 -6.309 3.270 -7.904 136 HA ASP 18 HA ASP 18 -3.934 3.196 -9.302 137 HB2 ASP 18 HB2 ASP 18 -6.330 3.374 -10.093 138 HB3 ASP 18 HB3 ASP 18 -6.258 5.093 -9.726 139 H SER 19 H SER 19 -5.324 5.876 -7.370 140 HA SER 19 HA SER 19 -3.267 7.782 -8.201 141 HB2 SER 19 HB2 SER 19 -5.283 7.940 -5.919 142 HB3 SER 19 HB3 SER 19 -4.397 9.275 -6.673 143 HG SER 19 HG SER 19 -5.528 8.159 -8.697 144 H ILE 20 H ILE 20 -3.937 5.616 -5.463 145 HA ILE 20 HA ILE 20 -1.756 6.489 -3.777 146 HB ILE 20 HB ILE 20 -3.323 3.898 -3.779 147 HG12 ILE 20 HG12 ILE 20 -3.760 6.241 -1.901 148 HG13 ILE 20 HG13 ILE 20 -4.609 6.179 -3.439 149 HG21 ILE 20 HG21 ILE 20 -1.496 5.173 -1.689 150 HG22 ILE 20 HG22 ILE 20 -2.607 3.844 -1.322 151 HG23 ILE 20 HG23 ILE 20 -1.297 3.593 -2.463 152 HD11 ILE 20 HD11 ILE 20 -5.788 5.224 -1.370 153 HD12 ILE 20 HD12 ILE 20 -5.876 4.326 -2.896 154 HD13 ILE 20 HD13 ILE 20 -4.777 3.793 -1.617 155 H LEU 21 H LEU 21 -1.949 4.328 -6.578 156 HA LEU 21 HA LEU 21 0.371 2.744 -6.156 157 HB2 LEU 21 HB2 LEU 21 -0.936 3.651 -8.729 158 HB3 LEU 21 HB3 LEU 21 0.475 2.616 -8.692 159 HG LEU 21 HG LEU 21 -2.172 1.850 -7.388 160 HD11 LEU 21 HD11 LEU 21 -2.262 2.086 -9.935 161 HD12 LEU 21 HD12 LEU 21 -2.691 0.508 -9.255 162 HD13 LEU 21 HD13 LEU 21 -1.085 0.770 -9.990 163 HD21 LEU 21 HD21 LEU 21 -0.317 0.629 -6.413 164 HD22 LEU 21 HD22 LEU 21 0.354 0.299 -8.031 165 HD23 LEU 21 HD23 LEU 21 -1.176 -0.427 -7.548 166 H GLY 22 H GLY 22 0.362 5.428 -8.581 167 HA2 GLY 22 HA2 GLY 22 3.139 5.627 -8.577 168 HA3 GLY 22 HA3 GLY 22 2.043 6.910 -9.112 169 H ALA 23 H ALA 23 0.806 7.317 -6.503 170 HA ALA 23 HA ALA 23 2.486 9.218 -5.291 171 HB1 ALA 23 HB1 ALA 23 0.057 9.262 -5.169 172 HB2 ALA 23 HB2 ALA 23 0.068 7.798 -4.145 173 HB3 ALA 23 HB3 ALA 23 0.770 9.318 -3.560 174 H LEU 24 H LEU 24 2.563 5.765 -4.883 175 HA LEU 24 HA LEU 24 4.449 6.054 -2.639 176 HB2 LEU 24 HB2 LEU 24 1.830 5.352 -2.192 177 HB3 LEU 24 HB3 LEU 24 2.501 3.771 -2.497 178 HG LEU 24 HG LEU 24 2.322 4.516 -0.116 179 HD11 LEU 24 HD11 LEU 24 4.474 3.706 0.683 180 HD12 LEU 24 HD12 LEU 24 5.182 3.892 -0.927 181 HD13 LEU 24 HD13 LEU 24 3.874 2.715 -0.657 182 HD21 LEU 24 HD21 LEU 24 3.191 6.901 -0.729 183 HD22 LEU 24 HD22 LEU 24 4.767 6.232 -0.389 184 HD23 LEU 24 HD23 LEU 24 3.510 6.178 0.874 185 H ALA 25 H ALA 25 4.516 5.492 -5.645 186 HA ALA 25 HA ALA 25 6.378 3.213 -5.413 187 HB1 ALA 25 HB1 ALA 25 4.192 3.360 -7.501 188 HB2 ALA 25 HB2 ALA 25 5.543 2.210 -7.479 189 HB3 ALA 25 HB3 ALA 25 4.319 2.172 -6.189 190 HA PRO 26 HA PRO 26 8.387 6.432 -7.986 191 HB2 PRO 26 HB2 PRO 26 10.689 6.418 -6.367 192 HB3 PRO 26 HB3 PRO 26 9.431 7.685 -6.432 193 HG2 PRO 26 HG2 PRO 26 9.913 5.662 -4.330 194 HG3 PRO 26 HG3 PRO 26 8.975 7.163 -4.238 195 HD2 PRO 26 HD2 PRO 26 7.959 4.514 -4.462 196 HD3 PRO 26 HD3 PRO 26 7.051 6.048 -4.580 197 H TYR 27 H TYR 27 8.846 3.242 -6.669 198 HA TYR 27 HA TYR 27 10.815 2.527 -8.792 199 HB2 TYR 27 HB2 TYR 27 10.840 1.653 -5.908 200 HB3 TYR 27 HB3 TYR 27 12.041 1.269 -7.103 201 HD1 TYR 27 HD1 TYR 27 10.895 3.610 -4.598 202 HD2 TYR 27 HD2 TYR 27 13.744 3.032 -7.773 203 HE1 TYR 27 HE1 TYR 27 12.213 5.518 -3.749 204 HE2 TYR 27 HE2 TYR 27 15.053 4.965 -6.946 205 HH TYR 27 HH TYR 27 13.817 7.075 -4.379 206 H ALA 28 H ALA 28 8.138 1.476 -6.658 207 HA ALA 28 HA ALA 28 8.562 -1.321 -7.024 208 HB1 ALA 28 HB1 ALA 28 7.194 -0.440 -5.146 209 HB2 ALA 28 HB2 ALA 28 5.940 0.068 -6.302 210 HB3 ALA 28 HB3 ALA 28 6.322 -1.655 -6.088 211 H VAL 29 H VAL 29 8.450 -2.392 -8.934 212 HA VAL 29 HA VAL 29 7.295 -1.016 -11.173 213 HB VAL 29 HB VAL 29 8.622 -3.737 -11.293 214 HG11 VAL 29 HG11 VAL 29 8.638 -1.249 -13.076 215 HG12 VAL 29 HG12 VAL 29 9.364 -2.824 -13.474 216 HG13 VAL 29 HG13 VAL 29 7.605 -2.665 -13.326 217 HG21 VAL 29 HG21 VAL 29 10.095 -1.098 -11.033 218 HG22 VAL 29 HG22 VAL 29 10.159 -2.452 -9.878 219 HG23 VAL 29 HG23 VAL 29 10.806 -2.658 -11.492 220 H LEU 30 H LEU 30 5.165 -1.381 -9.991 221 HA LEU 30 HA LEU 30 3.858 -3.990 -10.646 222 HB2 LEU 30 HB2 LEU 30 2.783 -2.071 -8.589 223 HB3 LEU 30 HB3 LEU 30 2.467 -3.787 -8.760 224 HG LEU 30 HG LEU 30 5.072 -2.520 -7.839 225 HD11 LEU 30 HD11 LEU 30 2.969 -3.997 -6.245 226 HD12 LEU 30 HD12 LEU 30 3.413 -2.286 -6.117 227 HD13 LEU 30 HD13 LEU 30 4.567 -3.522 -5.633 228 HD21 LEU 30 HD21 LEU 30 4.383 -5.462 -7.723 229 HD22 LEU 30 HD22 LEU 30 5.918 -4.696 -7.309 230 HD23 LEU 30 HD23 LEU 30 5.398 -4.751 -8.995 231 H SER 31 H SER 31 1.246 -3.525 -10.832 232 HA SER 31 HA SER 31 0.879 -1.107 -12.537 233 HB2 SER 31 HB2 SER 31 0.177 -3.895 -13.535 234 HB3 SER 31 HB3 SER 31 -0.033 -2.359 -14.378 235 HG SER 31 HG SER 31 1.838 -2.672 -15.152 236 H SER 32 H SER 32 -0.765 -4.170 -11.742 237 HA SER 32 HA SER 32 -2.940 -2.944 -10.218 238 HB2 SER 32 HB2 SER 32 -4.420 -3.644 -12.029 239 HB3 SER 32 HB3 SER 32 -3.479 -2.205 -12.515 240 HG SER 32 HG SER 32 -2.850 -3.410 -14.198 241 H SER 33 H SER 33 -1.011 -5.481 -10.604 242 HA SER 33 HA SER 33 -3.150 -7.509 -9.987 243 HB2 SER 33 HB2 SER 33 -0.558 -8.644 -10.483 244 HB3 SER 33 HB3 SER 33 -2.076 -8.965 -11.310 245 HG SER 33 HG SER 33 -0.262 -8.313 -12.537 246 H ASN 34 H ASN 34 -1.548 -5.422 -8.376 247 HA ASN 34 HA ASN 34 -0.712 -7.395 -6.222 248 HB2 ASN 34 HB2 ASN 34 0.801 -5.013 -7.292 249 HB3 ASN 34 HB3 ASN 34 1.043 -5.567 -5.637 250 HD21 ASN 34 HD21 ASN 34 2.168 -6.105 -8.800 251 HD22 ASN 34 HD22 ASN 34 2.906 -7.634 -8.467 252 H VAL 35 H VAL 35 -2.485 -4.510 -6.819 253 HA VAL 35 HA VAL 35 -2.622 -3.717 -4.039 254 HB VAL 35 HB VAL 35 -4.549 -3.166 -6.344 255 HG11 VAL 35 HG11 VAL 35 -4.091 -1.720 -3.666 256 HG12 VAL 35 HG12 VAL 35 -5.307 -1.330 -4.899 257 HG13 VAL 35 HG13 VAL 35 -5.462 -2.813 -4.008 258 HG21 VAL 35 HG21 VAL 35 -2.317 -2.335 -6.913 259 HG22 VAL 35 HG22 VAL 35 -3.420 -1.005 -6.565 260 HG23 VAL 35 HG23 VAL 35 -2.221 -1.481 -5.356 261 H ARG 36 H ARG 36 -3.634 -4.838 -2.472 262 HA ARG 36 HA ARG 36 -6.307 -5.855 -3.213 263 HB2 ARG 36 HB2 ARG 36 -4.571 -7.752 -3.068 264 HB3 ARG 36 HB3 ARG 36 -4.445 -7.410 -1.359 265 HG2 ARG 36 HG2 ARG 36 -5.898 -9.322 -1.879 266 HG3 ARG 36 HG3 ARG 36 -6.765 -8.074 -1.006 267 HD2 ARG 36 HD2 ARG 36 -7.911 -9.300 -2.960 268 HD3 ARG 36 HD3 ARG 36 -8.142 -7.555 -2.783 269 HE ARG 36 HE ARG 36 -5.936 -8.090 -4.551 270 HH11 ARG 36 HH11 ARG 36 -9.443 -8.721 -4.635 271 HH12 ARG 36 HH12 ARG 36 -9.505 -8.276 -6.334 272 HH21 ARG 36 HH21 ARG 36 -6.182 -7.459 -6.741 273 HH22 ARG 36 HH22 ARG 36 -7.751 -7.546 -7.465 274 H VAL 37 H VAL 37 -7.227 -3.922 -2.317 275 HA VAL 37 HA VAL 37 -6.410 -3.215 0.399 276 HB VAL 37 HB VAL 37 -8.825 -1.999 -0.827 277 HG11 VAL 37 HG11 VAL 37 -7.841 0.003 0.373 278 HG12 VAL 37 HG12 VAL 37 -8.103 -1.380 1.471 279 HG13 VAL 37 HG13 VAL 37 -6.498 -0.987 0.864 280 HG21 VAL 37 HG21 VAL 37 -6.056 -1.026 -1.635 281 HG22 VAL 37 HG22 VAL 37 -7.273 -1.727 -2.720 282 HG23 VAL 37 HG23 VAL 37 -7.609 -0.189 -1.883 283 H ILE 38 H ILE 38 -7.326 -5.854 0.060 284 HA ILE 38 HA ILE 38 -8.902 -7.422 0.516 285 HB ILE 38 HB ILE 38 -9.092 -5.864 3.077 286 HG12 ILE 38 HG12 ILE 38 -6.773 -5.696 2.671 287 HG13 ILE 38 HG13 ILE 38 -7.050 -6.901 3.898 288 HG21 ILE 38 HG21 ILE 38 -9.086 -8.052 4.162 289 HG22 ILE 38 HG22 ILE 38 -10.390 -7.996 2.986 290 HG23 ILE 38 HG23 ILE 38 -8.906 -8.883 2.604 291 HD11 ILE 38 HD11 ILE 38 -5.288 -7.653 2.425 292 HD12 ILE 38 HD12 ILE 38 -6.684 -8.714 2.189 293 HD13 ILE 38 HD13 ILE 38 -6.307 -7.439 1.004 294 H LYS 39 H LYS 39 -10.035 -5.490 -1.090 295 HA LYS 39 HA LYS 39 -12.140 -4.045 -0.021 296 HB2 LYS 39 HB2 LYS 39 -12.889 -3.708 -2.348 297 HB3 LYS 39 HB3 LYS 39 -11.180 -3.389 -2.099 298 HG2 LYS 39 HG2 LYS 39 -10.821 -4.629 -3.926 299 HG3 LYS 39 HG3 LYS 39 -11.225 -6.044 -2.948 300 HD2 LYS 39 HD2 LYS 39 -13.581 -5.899 -3.655 301 HD3 LYS 39 HD3 LYS 39 -13.215 -4.435 -4.588 302 HE2 LYS 39 HE2 LYS 39 -11.562 -5.719 -5.942 303 HE3 LYS 39 HE3 LYS 39 -11.993 -7.192 -5.047 304 HZ1 LYS 39 HZ1 LYS 39 -13.890 -5.594 -6.660 305 HZ2 LYS 39 HZ2 LYS 39 -14.215 -7.005 -5.900 306 HZ3 LYS 39 HZ3 LYS 39 -13.165 -6.985 -7.179 307 H ASP 40 H ASP 40 -14.311 -4.248 0.116 308 HA ASP 40 HA ASP 40 -15.159 -6.840 0.904 309 HB2 ASP 40 HB2 ASP 40 -15.940 -4.373 1.613 310 HB3 ASP 40 HB3 ASP 40 -17.149 -4.671 0.354 311 H LYS 41 H LYS 41 -17.504 -7.520 0.204 312 HA LYS 41 HA LYS 41 -17.740 -7.637 -2.778 313 HB2 LYS 41 HB2 LYS 41 -18.888 -9.733 -2.432 314 HB3 LYS 41 HB3 LYS 41 -17.191 -9.841 -1.897 315 HG2 LYS 41 HG2 LYS 41 -18.169 -9.563 0.493 316 HG3 LYS 41 HG3 LYS 41 -19.759 -9.699 -0.285 317 HD2 LYS 41 HD2 LYS 41 -19.344 -11.824 0.551 318 HD3 LYS 41 HD3 LYS 41 -19.054 -11.944 -1.184 319 HE2 LYS 41 HE2 LYS 41 -16.598 -11.685 -0.761 320 HE3 LYS 41 HE3 LYS 41 -16.909 -11.580 0.977 321 HZ1 LYS 41 HZ1 LYS 41 -17.776 -13.836 0.896 322 HZ2 LYS 41 HZ2 LYS 41 -16.252 -13.801 0.247 323 HZ3 LYS 41 HZ3 LYS 41 -17.567 -13.906 -0.734 324 H GLN 42 H GLN 42 -19.285 -7.319 0.284 325 HA GLN 42 HA GLN 42 -22.025 -7.135 -0.734 326 HB2 GLN 42 HB2 GLN 42 -20.960 -6.389 2.041 327 HB3 GLN 42 HB3 GLN 42 -22.628 -6.354 1.519 328 HG2 GLN 42 HG2 GLN 42 -22.709 -8.370 2.474 329 HG3 GLN 42 HG3 GLN 42 -22.237 -8.894 0.875 330 HE21 GLN 42 HE21 GLN 42 -19.428 -7.507 2.518 331 HE22 GLN 42 HE22 GLN 42 -18.891 -8.989 3.237 332 H THR 43 H THR 43 -19.721 -4.816 0.807 333 HA THR 43 HA THR 43 -21.381 -2.641 -0.294 334 HB THR 43 HB THR 43 -20.735 -2.643 2.083 335 HG1 THR 43 HG1 THR 43 -21.105 -0.712 1.600 336 HG21 THR 43 HG21 THR 43 -17.906 -2.437 1.047 337 HG22 THR 43 HG22 THR 43 -18.584 -3.587 2.220 338 HG23 THR 43 HG23 THR 43 -18.386 -1.883 2.644 339 H GLN 44 H GLN 44 -18.408 -4.239 -1.100 340 HA GLN 44 HA GLN 44 -16.789 -3.966 -2.642 341 HB2 GLN 44 HB2 GLN 44 -18.617 -1.993 -4.033 342 HB3 GLN 44 HB3 GLN 44 -17.237 -2.815 -4.733 343 HG2 GLN 44 HG2 GLN 44 -19.718 -4.259 -3.698 344 HG3 GLN 44 HG3 GLN 44 -19.450 -3.748 -5.369 345 HE21 GLN 44 HE21 GLN 44 -19.966 -6.255 -5.123 346 HE22 GLN 44 HE22 GLN 44 -18.587 -7.351 -5.136 347 H LEU 45 H LEU 45 -16.399 -2.568 -0.305 348 HA LEU 45 HA LEU 45 -15.103 -0.010 -1.165 349 HB2 LEU 45 HB2 LEU 45 -16.288 -0.755 1.543 350 HB3 LEU 45 HB3 LEU 45 -15.463 0.748 1.163 351 HG LEU 45 HG LEU 45 -18.088 -0.192 -0.058 352 HD11 LEU 45 HD11 LEU 45 -19.076 1.685 1.176 353 HD12 LEU 45 HD12 LEU 45 -17.506 2.059 1.914 354 HD13 LEU 45 HD13 LEU 45 -18.355 0.513 2.258 355 HD21 LEU 45 HD21 LEU 45 -16.937 1.049 -1.710 356 HD22 LEU 45 HD22 LEU 45 -16.429 2.289 -0.516 357 HD23 LEU 45 HD23 LEU 45 -18.135 2.131 -1.003 358 H ASN 46 H ASN 46 -13.173 0.532 -0.049 359 HA ASN 46 HA ASN 46 -11.374 -1.695 0.324 360 HB2 ASN 46 HB2 ASN 46 -10.994 1.219 1.157 361 HB3 ASN 46 HB3 ASN 46 -9.788 0.023 1.164 362 HD21 ASN 46 HD21 ASN 46 -9.938 2.569 -0.353 363 HD22 ASN 46 HD22 ASN 46 -10.071 2.221 -2.038 364 H ARG 47 H ARG 47 -10.568 -2.655 2.278 365 HA ARG 47 HA ARG 47 -12.201 -2.446 4.625 366 HB2 ARG 47 HB2 ARG 47 -9.585 -3.769 3.955 367 HB3 ARG 47 HB3 ARG 47 -9.986 -3.587 5.650 368 HG2 ARG 47 HG2 ARG 47 -11.988 -4.838 3.730 369 HG3 ARG 47 HG3 ARG 47 -10.672 -5.761 4.449 370 HD2 ARG 47 HD2 ARG 47 -12.225 -6.270 5.960 371 HD3 ARG 47 HD3 ARG 47 -11.485 -4.881 6.735 372 HE ARG 47 HE ARG 47 -13.518 -3.821 6.650 373 HH11 ARG 47 HH11 ARG 47 -13.564 -6.269 4.099 374 HH12 ARG 47 HH12 ARG 47 -15.273 -6.148 3.844 375 HH21 ARG 47 HH21 ARG 47 -15.729 -3.687 6.328 376 HH22 ARG 47 HH22 ARG 47 -16.532 -4.658 5.120 377 H GLY 48 H GLY 48 -9.039 -0.944 3.836 378 HA2 GLY 48 HA2 GLY 48 -9.069 1.414 4.845 379 HA3 GLY 48 HA3 GLY 48 -9.162 0.605 6.397 380 H PHE 49 H PHE 49 -7.313 -1.573 4.901 381 HA PHE 49 HA PHE 49 -4.829 0.014 4.734 382 HB2 PHE 49 HB2 PHE 49 -3.754 -2.236 5.422 383 HB3 PHE 49 HB3 PHE 49 -4.343 -1.148 6.666 384 HD1 PHE 49 HD1 PHE 49 -5.044 -4.337 4.858 385 HD2 PHE 49 HD2 PHE 49 -6.137 -1.783 8.159 386 HE1 PHE 49 HE1 PHE 49 -6.372 -6.188 5.871 387 HE2 PHE 49 HE2 PHE 49 -7.453 -3.637 9.150 388 HZ PHE 49 HZ PHE 49 -7.567 -5.845 7.994 389 H ALA 50 H ALA 50 -3.641 -0.504 2.848 390 HA ALA 50 HA ALA 50 -4.821 -2.645 1.155 391 HB1 ALA 50 HB1 ALA 50 -4.364 -0.328 0.019 392 HB2 ALA 50 HB2 ALA 50 -2.667 -0.861 0.071 393 HB3 ALA 50 HB3 ALA 50 -3.853 -1.824 -0.771 394 H PHE 51 H PHE 51 -3.663 -4.360 0.539 395 HA PHE 51 HA PHE 51 -0.916 -4.654 1.621 396 HB2 PHE 51 HB2 PHE 51 -2.958 -6.596 0.466 397 HB3 PHE 51 HB3 PHE 51 -1.235 -6.927 0.452 398 HD1 PHE 51 HD1 PHE 51 -0.591 -8.445 2.086 399 HD2 PHE 51 HD2 PHE 51 -3.565 -5.488 3.055 400 HE1 PHE 51 HE1 PHE 51 -0.620 -9.232 4.398 401 HE2 PHE 51 HE2 PHE 51 -3.647 -6.337 5.401 402 HZ PHE 51 HZ PHE 51 -2.187 -8.233 6.074 403 H ILE 52 H ILE 52 0.592 -4.175 0.278 404 HA ILE 52 HA ILE 52 0.216 -4.384 -2.657 405 HB ILE 52 HB ILE 52 2.109 -2.540 -1.156 406 HG12 ILE 52 HG12 ILE 52 -0.224 -1.694 -1.121 407 HG13 ILE 52 HG13 ILE 52 0.888 -0.663 -1.995 408 HG21 ILE 52 HG21 ILE 52 1.789 -2.957 -4.151 409 HG22 ILE 52 HG22 ILE 52 2.624 -1.571 -3.423 410 HG23 ILE 52 HG23 ILE 52 3.252 -3.191 -3.160 411 HD11 ILE 52 HD11 ILE 52 -0.009 -1.315 -4.116 412 HD12 ILE 52 HD12 ILE 52 -0.970 -2.611 -3.370 413 HD13 ILE 52 HD13 ILE 52 -1.363 -0.912 -3.045 414 H GLN 53 H GLN 53 2.239 -5.267 -3.678 415 HA GLN 53 HA GLN 53 3.919 -6.856 -1.898 416 HB2 GLN 53 HB2 GLN 53 1.671 -7.952 -3.365 417 HB3 GLN 53 HB3 GLN 53 3.138 -8.515 -4.161 418 HG2 GLN 53 HG2 GLN 53 3.225 -8.682 -1.192 419 HG3 GLN 53 HG3 GLN 53 1.953 -9.655 -1.936 420 HE21 GLN 53 HE21 GLN 53 5.445 -8.912 -2.498 421 HE22 GLN 53 HE22 GLN 53 5.917 -10.581 -2.543 422 H LEU 54 H LEU 54 5.883 -6.450 -2.458 423 HA LEU 54 HA LEU 54 6.486 -4.848 -4.803 424 HB2 LEU 54 HB2 LEU 54 7.883 -5.904 -2.363 425 HB3 LEU 54 HB3 LEU 54 8.921 -5.805 -3.745 426 HG LEU 54 HG LEU 54 9.122 -3.783 -2.523 427 HD11 LEU 54 HD11 LEU 54 9.098 -3.747 -5.108 428 HD12 LEU 54 HD12 LEU 54 8.913 -2.205 -4.266 429 HD13 LEU 54 HD13 LEU 54 7.504 -3.022 -4.960 430 HD21 LEU 54 HD21 LEU 54 7.361 -2.232 -2.080 431 HD22 LEU 54 HD22 LEU 54 6.909 -3.819 -1.432 432 HD23 LEU 54 HD23 LEU 54 6.161 -3.239 -2.934 433 H SER 55 H SER 55 8.448 -5.524 -6.197 434 HA SER 55 HA SER 55 7.826 -7.799 -7.765 435 HB2 SER 55 HB2 SER 55 10.638 -6.790 -7.683 436 HB3 SER 55 HB3 SER 55 9.639 -7.163 -9.068 437 HG SER 55 HG SER 55 10.255 -4.855 -8.211 438 H THR 56 H THR 56 9.964 -7.312 -4.965 439 HA THR 56 HA THR 56 10.619 -10.091 -4.628 440 HB THR 56 HB THR 56 13.111 -8.596 -4.873 441 HG1 THR 56 HG1 THR 56 11.684 -9.001 -7.281 442 HG21 THR 56 HG21 THR 56 12.061 -11.042 -6.338 443 HG22 THR 56 HG22 THR 56 12.957 -11.052 -4.795 444 HG23 THR 56 HG23 THR 56 13.756 -10.508 -6.283 445 H ILE 57 H ILE 57 11.795 -10.320 -2.560 446 HA ILE 57 HA ILE 57 10.847 -8.608 -0.560 447 HB ILE 57 HB ILE 57 12.109 -9.869 0.947 448 HG12 ILE 57 HG12 ILE 57 13.284 -11.893 -0.404 449 HG13 ILE 57 HG13 ILE 57 13.768 -10.574 -1.431 450 HG21 ILE 57 HG21 ILE 57 9.969 -10.821 0.021 451 HG22 ILE 57 HG22 ILE 57 10.892 -11.661 -1.235 452 HG23 ILE 57 HG23 ILE 57 11.097 -12.071 0.472 453 HD11 ILE 57 HD11 ILE 57 14.742 -9.397 0.545 454 HD12 ILE 57 HD12 ILE 57 14.186 -10.719 1.593 455 HD13 ILE 57 HD13 ILE 57 15.423 -11.026 0.373 456 H VAL 58 H VAL 58 13.718 -8.412 -2.342 457 HA VAL 58 HA VAL 58 15.271 -6.634 -0.671 458 HB VAL 58 HB VAL 58 15.455 -7.153 -3.698 459 HG11 VAL 58 HG11 VAL 58 17.025 -5.478 -2.731 460 HG12 VAL 58 HG12 VAL 58 17.725 -6.756 -1.719 461 HG13 VAL 58 HG13 VAL 58 17.810 -6.830 -3.510 462 HG21 VAL 58 HG21 VAL 58 17.017 -9.094 -3.115 463 HG22 VAL 58 HG22 VAL 58 16.221 -9.067 -1.517 464 HG23 VAL 58 HG23 VAL 58 15.287 -9.363 -2.994 465 H GLU 59 H GLU 59 12.870 -6.127 -3.197 466 HA GLU 59 HA GLU 59 13.548 -3.354 -3.733 467 HB2 GLU 59 HB2 GLU 59 10.827 -4.656 -3.862 468 HB3 GLU 59 HB3 GLU 59 11.359 -3.258 -4.786 469 HG2 GLU 59 HG2 GLU 59 12.595 -6.014 -5.230 470 HG3 GLU 59 HG3 GLU 59 11.003 -5.625 -5.827 471 H ALA 60 H ALA 60 11.430 -5.146 -1.517 472 HA ALA 60 HA ALA 60 10.345 -2.925 -0.018 473 HB1 ALA 60 HB1 ALA 60 9.692 -4.690 1.483 474 HB2 ALA 60 HB2 ALA 60 9.154 -4.979 -0.167 475 HB3 ALA 60 HB3 ALA 60 10.539 -5.896 0.493 476 H ALA 61 H ALA 61 10.938 -3.106 2.353 477 HA ALA 61 HA ALA 61 12.365 -2.301 3.953 478 HB1 ALA 61 HB1 ALA 61 14.756 -3.103 4.057 479 HB2 ALA 61 HB2 ALA 61 13.492 -4.315 4.236 480 HB3 ALA 61 HB3 ALA 61 14.392 -4.194 2.694 481 H GLN 62 H GLN 62 14.333 -2.355 0.971 482 HA GLN 62 HA GLN 62 15.573 0.151 1.400 483 HB2 GLN 62 HB2 GLN 62 14.941 -1.476 -1.088 484 HB3 GLN 62 HB3 GLN 62 15.672 0.127 -1.208 485 HG2 GLN 62 HG2 GLN 62 17.366 -1.691 -1.227 486 HG3 GLN 62 HG3 GLN 62 17.601 -0.519 0.070 487 HE21 GLN 62 HE21 GLN 62 15.825 -3.666 -0.416 488 HE22 GLN 62 HE22 GLN 62 16.228 -4.332 1.128 489 H LEU 63 H LEU 63 12.648 -0.481 -0.700 490 HA LEU 63 HA LEU 63 11.993 2.249 -0.987 491 HB2 LEU 63 HB2 LEU 63 10.400 -0.319 -1.141 492 HB3 LEU 63 HB3 LEU 63 9.515 1.188 -0.949 493 HG LEU 63 HG LEU 63 10.823 2.138 -2.903 494 HD11 LEU 63 HD11 LEU 63 12.591 0.264 -2.883 495 HD12 LEU 63 HD12 LEU 63 11.946 0.665 -4.442 496 HD13 LEU 63 HD13 LEU 63 11.350 -0.773 -3.610 497 HD21 LEU 63 HD21 LEU 63 8.877 -0.171 -3.239 498 HD22 LEU 63 HD22 LEU 63 9.295 0.957 -4.539 499 HD23 LEU 63 HD23 LEU 63 8.487 1.546 -3.075 500 H LEU 64 H LEU 64 11.158 0.054 1.675 501 HA LEU 64 HA LEU 64 9.190 1.670 2.912 502 HB2 LEU 64 HB2 LEU 64 9.748 -0.800 3.308 503 HB3 LEU 64 HB3 LEU 64 11.077 -0.245 4.330 504 HG LEU 64 HG LEU 64 9.314 -0.945 5.695 505 HD11 LEU 64 HD11 LEU 64 8.765 0.946 7.081 506 HD12 LEU 64 HD12 LEU 64 9.216 2.075 5.807 507 HD13 LEU 64 HD13 LEU 64 10.455 1.043 6.530 508 HD21 LEU 64 HD21 LEU 64 7.011 0.077 5.578 509 HD22 LEU 64 HD22 LEU 64 7.468 -1.017 4.271 510 HD23 LEU 64 HD23 LEU 64 7.458 0.729 3.989 511 H GLN 65 H GLN 65 12.729 1.405 3.652 512 HA GLN 65 HA GLN 65 12.553 3.530 5.582 513 HB2 GLN 65 HB2 GLN 65 14.936 3.305 5.840 514 HB3 GLN 65 HB3 GLN 65 14.174 1.721 5.805 515 HG2 GLN 65 HG2 GLN 65 14.909 1.417 3.449 516 HG3 GLN 65 HG3 GLN 65 15.629 3.017 3.460 517 HE21 GLN 65 HE21 GLN 65 17.776 2.910 3.597 518 HE22 GLN 65 HE22 GLN 65 18.719 1.674 4.392 519 H ILE 66 H ILE 66 13.433 3.548 2.093 520 HA ILE 66 HA ILE 66 14.561 6.209 2.152 521 HB ILE 66 HB ILE 66 13.254 4.732 -0.143 522 HG12 ILE 66 HG12 ILE 66 16.247 5.002 0.165 523 HG13 ILE 66 HG13 ILE 66 15.421 3.699 0.966 524 HG21 ILE 66 HG21 ILE 66 15.101 7.152 -0.221 525 HG22 ILE 66 HG22 ILE 66 14.517 6.255 -1.642 526 HG23 ILE 66 HG23 ILE 66 13.374 7.136 -0.633 527 HD11 ILE 66 HD11 ILE 66 16.096 2.799 -1.113 528 HD12 ILE 66 HD12 ILE 66 14.377 3.115 -1.337 529 HD13 ILE 66 HD13 ILE 66 15.577 4.231 -2.023 530 H LEU 67 H LEU 67 11.292 4.927 1.382 531 HA LEU 67 HA LEU 67 10.215 7.337 0.438 532 HB2 LEU 67 HB2 LEU 67 9.027 4.847 1.697 533 HB3 LEU 67 HB3 LEU 67 7.993 6.167 1.255 534 HG LEU 67 HG LEU 67 8.553 4.076 -0.361 535 HD11 LEU 67 HD11 LEU 67 7.573 5.343 -2.184 536 HD12 LEU 67 HD12 LEU 67 7.972 6.880 -1.376 537 HD13 LEU 67 HD13 LEU 67 6.806 5.758 -0.654 538 HD21 LEU 67 HD21 LEU 67 10.947 4.725 -0.829 539 HD22 LEU 67 HD22 LEU 67 10.352 6.223 -1.566 540 HD23 LEU 67 HD23 LEU 67 9.923 4.638 -2.250 541 H GLN 68 H GLN 68 10.205 6.068 3.785 542 HA GLN 68 HA GLN 68 8.623 8.080 4.883 543 HB2 GLN 68 HB2 GLN 68 9.571 7.474 7.067 544 HB3 GLN 68 HB3 GLN 68 8.803 6.156 6.131 545 HG2 GLN 68 HG2 GLN 68 10.958 5.481 5.330 546 HG3 GLN 68 HG3 GLN 68 11.735 6.810 6.182 547 HE21 GLN 68 HE21 GLN 68 9.309 4.217 7.126 548 HE22 GLN 68 HE22 GLN 68 10.196 3.780 8.568 549 H ALA 69 H ALA 69 11.989 8.159 4.162 550 HA ALA 69 HA ALA 69 12.701 10.457 5.776 551 HB1 ALA 69 HB1 ALA 69 14.774 10.429 4.518 552 HB2 ALA 69 HB2 ALA 69 14.334 8.744 4.866 553 HB3 ALA 69 HB3 ALA 69 14.065 9.428 3.247 554 H LEU 70 H LEU 70 10.967 10.068 2.824 555 HA LEU 70 HA LEU 70 11.341 12.890 2.019 556 HB2 LEU 70 HB2 LEU 70 10.022 10.556 0.571 557 HB3 LEU 70 HB3 LEU 70 10.351 12.147 -0.108 558 HG LEU 70 HG LEU 70 12.415 10.095 0.767 559 HD11 LEU 70 HD11 LEU 70 11.675 11.067 -2.009 560 HD12 LEU 70 HD12 LEU 70 11.327 9.466 -1.305 561 HD13 LEU 70 HD13 LEU 70 13.006 9.962 -1.600 562 HD21 LEU 70 HD21 LEU 70 12.820 12.876 -0.406 563 HD22 LEU 70 HD22 LEU 70 14.091 11.638 -0.258 564 HD23 LEU 70 HD23 LEU 70 13.332 12.274 1.196 565 H HIS 71 H HIS 71 9.311 13.867 1.189 566 HA HIS 71 HA HIS 71 6.882 13.146 2.738 567 HB2 HIS 71 HB2 HIS 71 8.200 14.816 4.062 568 HB3 HIS 71 HB3 HIS 71 8.002 15.973 2.751 569 HD1 HIS 71 HD1 HIS 71 6.366 14.859 5.861 570 HD2 HIS 71 HD2 HIS 71 5.164 16.420 2.126 571 HE1 HIS 71 HE1 HIS 71 3.989 15.775 6.170 572 HA PRO 72 HA PRO 72 6.249 14.242 -1.712 573 HB2 PRO 72 HB2 PRO 72 5.042 12.005 -2.585 574 HB3 PRO 72 HB3 PRO 72 6.783 11.989 -2.196 575 HG2 PRO 72 HG2 PRO 72 4.488 11.153 -0.377 576 HG3 PRO 72 HG3 PRO 72 5.904 10.176 -0.882 577 HD2 PRO 72 HD2 PRO 72 5.904 11.642 1.433 578 HD3 PRO 72 HD3 PRO 72 7.382 11.499 0.435 579 HA PRO 73 HA PRO 73 1.942 15.407 -1.101 580 HB2 PRO 73 HB2 PRO 73 0.765 15.322 -3.544 581 HB3 PRO 73 HB3 PRO 73 2.031 16.501 -3.102 582 HG2 PRO 73 HG2 PRO 73 2.408 13.933 -4.658 583 HG3 PRO 73 HG3 PRO 73 3.021 15.569 -5.046 584 HD2 PRO 73 HD2 PRO 73 4.547 13.711 -3.767 585 HD3 PRO 73 HD3 PRO 73 4.679 15.444 -3.388 586 H LEU 74 H LEU 74 1.020 13.792 0.272 587 HA LEU 74 HA LEU 74 -0.414 11.682 -1.098 588 HB2 LEU 74 HB2 LEU 74 2.104 11.190 -0.168 589 HB3 LEU 74 HB3 LEU 74 1.230 10.888 1.308 590 HG LEU 74 HG LEU 74 1.128 9.581 -1.362 591 HD11 LEU 74 HD11 LEU 74 1.259 7.516 0.075 592 HD12 LEU 74 HD12 LEU 74 1.127 8.544 1.517 593 HD13 LEU 74 HD13 LEU 74 2.537 8.698 0.463 594 HD21 LEU 74 HD21 LEU 74 -1.225 9.461 0.500 595 HD22 LEU 74 HD22 LEU 74 -0.853 8.160 -0.677 596 HD23 LEU 74 HD23 LEU 74 -1.193 9.772 -1.261 597 H THR 75 H THR 75 -2.203 12.985 -0.502 598 HA THR 75 HA THR 75 -3.257 12.067 2.069 599 HB THR 75 HB THR 75 -4.131 14.782 2.047 600 HG1 THR 75 HG1 THR 75 -2.461 15.988 1.771 601 HG21 THR 75 HG21 THR 75 -2.172 13.301 3.827 602 HG22 THR 75 HG22 THR 75 -3.936 13.341 4.015 603 HG23 THR 75 HG23 THR 75 -2.984 14.819 4.253 604 H ILE 76 H ILE 76 -4.818 10.821 1.083 605 HA ILE 76 HA ILE 76 -6.699 12.283 -0.712 606 HB ILE 76 HB ILE 76 -6.327 9.278 -0.455 607 HG12 ILE 76 HG12 ILE 76 -5.274 11.136 -2.644 608 HG13 ILE 76 HG13 ILE 76 -4.272 10.342 -1.432 609 HG21 ILE 76 HG21 ILE 76 -7.720 9.402 -2.625 610 HG22 ILE 76 HG22 ILE 76 -8.569 9.939 -1.173 611 HG23 ILE 76 HG23 ILE 76 -7.910 11.122 -2.313 612 HD11 ILE 76 HD11 ILE 76 -5.794 8.972 -3.652 613 HD12 ILE 76 HD12 ILE 76 -4.046 9.037 -3.365 614 HD13 ILE 76 HD13 ILE 76 -5.088 8.136 -2.245 615 H ASP 77 H ASP 77 -8.822 12.407 0.000 616 HA ASP 77 HA ASP 77 -10.444 12.671 1.552 617 HB2 ASP 77 HB2 ASP 77 -9.693 9.805 2.179 618 HB3 ASP 77 HB3 ASP 77 -11.173 10.609 2.720 619 H GLY 78 H GLY 78 -7.724 13.504 2.454 620 HA2 GLY 78 HA2 GLY 78 -6.770 14.367 4.364 621 HA3 GLY 78 HA3 GLY 78 -8.283 14.020 5.223 622 H LYS 79 H LYS 79 -6.601 11.344 3.632 623 HA LYS 79 HA LYS 79 -5.683 10.356 6.286 624 HB2 LYS 79 HB2 LYS 79 -6.506 8.659 3.931 625 HB3 LYS 79 HB3 LYS 79 -6.201 8.204 5.610 626 HG2 LYS 79 HG2 LYS 79 -8.379 10.105 5.572 627 HG3 LYS 79 HG3 LYS 79 -8.695 8.864 4.357 628 HD2 LYS 79 HD2 LYS 79 -8.530 7.111 6.008 629 HD3 LYS 79 HD3 LYS 79 -8.102 8.283 7.284 630 HE2 LYS 79 HE2 LYS 79 -10.243 9.291 7.281 631 HE3 LYS 79 HE3 LYS 79 -10.565 8.783 5.633 632 HZ1 LYS 79 HZ1 LYS 79 -10.804 7.119 8.048 633 HZ2 LYS 79 HZ2 LYS 79 -10.674 6.436 6.567 634 HZ3 LYS 79 HZ3 LYS 79 -11.920 7.403 6.882 635 H THR 80 H THR 80 -3.491 10.774 6.346 636 HA THR 80 HA THR 80 -1.840 10.744 3.976 637 HB THR 80 HB THR 80 -0.935 10.595 6.866 638 HG1 THR 80 HG1 THR 80 -1.277 13.013 5.516 639 HG21 THR 80 HG21 THR 80 0.306 11.984 4.443 640 HG22 THR 80 HG22 THR 80 0.806 10.405 5.070 641 HG23 THR 80 HG23 THR 80 1.002 11.858 6.071 642 H ILE 81 H ILE 81 -1.540 8.807 2.939 643 HA ILE 81 HA ILE 81 -1.959 6.286 4.161 644 HB ILE 81 HB ILE 81 -0.487 6.872 1.579 645 HG12 ILE 81 HG12 ILE 81 -2.612 7.967 1.351 646 HG13 ILE 81 HG13 ILE 81 -2.664 6.484 0.424 647 HG21 ILE 81 HG21 ILE 81 -0.163 4.580 2.240 648 HG22 ILE 81 HG22 ILE 81 -1.897 4.369 2.559 649 HG23 ILE 81 HG23 ILE 81 -1.322 4.636 0.902 650 HD11 ILE 81 HD11 ILE 81 -4.771 6.728 1.563 651 HD12 ILE 81 HD12 ILE 81 -3.907 5.452 2.452 652 HD13 ILE 81 HD13 ILE 81 -3.984 7.096 3.104 653 H ASN 82 H ASN 82 -0.658 5.058 5.456 654 HA ASN 82 HA ASN 82 1.968 6.106 6.130 655 HB2 ASN 82 HB2 ASN 82 -0.109 4.467 7.362 656 HB3 ASN 82 HB3 ASN 82 1.488 3.765 7.637 657 HD21 ASN 82 HD21 ASN 82 0.240 4.573 9.943 658 HD22 ASN 82 HD22 ASN 82 0.971 6.109 10.375 659 H VAL 83 H VAL 83 3.762 4.475 6.703 660 HA VAL 83 HA VAL 83 4.218 2.692 4.403 661 HB VAL 83 HB VAL 83 6.119 4.570 5.880 662 HG11 VAL 83 HG11 VAL 83 6.539 2.849 3.380 663 HG12 VAL 83 HG12 VAL 83 7.681 4.070 4.002 664 HG13 VAL 83 HG13 VAL 83 7.308 2.663 4.976 665 HG21 VAL 83 HG21 VAL 83 4.922 4.743 3.070 666 HG22 VAL 83 HG22 VAL 83 4.569 5.851 4.425 667 HG23 VAL 83 HG23 VAL 83 6.185 5.811 3.730 668 H GLU 84 H GLU 84 3.180 1.012 5.753 669 HA GLU 84 HA GLU 84 4.856 0.024 8.034 670 HB2 GLU 84 HB2 GLU 84 1.941 -0.122 7.200 671 HB3 GLU 84 HB3 GLU 84 2.594 -1.342 8.293 672 HG2 GLU 84 HG2 GLU 84 2.822 1.641 8.822 673 HG3 GLU 84 HG3 GLU 84 1.417 0.695 9.306 674 H PHE 85 H PHE 85 5.250 -2.415 8.139 675 HA PHE 85 HA PHE 85 5.167 -3.745 5.462 676 HB2 PHE 85 HB2 PHE 85 6.483 -4.535 8.077 677 HB3 PHE 85 HB3 PHE 85 6.364 -5.590 6.702 678 HD1 PHE 85 HD1 PHE 85 8.551 -3.480 8.355 679 HD2 PHE 85 HD2 PHE 85 7.319 -4.634 4.351 680 HE1 PHE 85 HE1 PHE 85 10.851 -3.091 7.500 681 HE2 PHE 85 HE2 PHE 85 9.595 -4.268 3.571 682 HZ PHE 85 HZ PHE 85 11.393 -3.573 5.168 683 H ALA 86 H ALA 86 4.378 -6.015 5.455 684 HA ALA 86 HA ALA 86 2.121 -6.529 7.313 685 HB1 ALA 86 HB1 ALA 86 2.642 -7.486 4.466 686 HB2 ALA 86 HB2 ALA 86 1.154 -7.736 5.397 687 HB3 ALA 86 HB3 ALA 86 1.612 -6.117 4.826 688 H LYS 87 H LYS 87 2.998 -7.947 8.904 689 HA LYS 87 HA LYS 87 4.513 -10.290 7.947 690 HB2 LYS 87 HB2 LYS 87 5.025 -9.324 10.197 691 HB3 LYS 87 HB3 LYS 87 3.420 -9.823 10.732 692 HG2 LYS 87 HG2 LYS 87 4.480 -12.165 9.552 693 HG3 LYS 87 HG3 LYS 87 5.895 -11.420 10.237 694 HD2 LYS 87 HD2 LYS 87 3.794 -11.369 12.246 695 HD3 LYS 87 HD3 LYS 87 3.789 -12.955 11.482 696 HE2 LYS 87 HE2 LYS 87 5.232 -13.044 13.396 697 HE3 LYS 87 HE3 LYS 87 6.230 -13.183 11.940 698 HZ1 LYS 87 HZ1 LYS 87 7.133 -11.668 13.616 699 HZ2 LYS 87 HZ2 LYS 87 5.821 -10.669 13.419 700 HZ3 LYS 87 HZ3 LYS 87 6.876 -10.908 12.182 701 H GLY 88 H GLY 88 3.484 -11.949 7.024 702 HA2 GLY 88 HA2 GLY 88 0.754 -12.691 7.983 703 HA3 GLY 88 HA3 GLY 88 1.248 -12.785 6.288 704 H SER 89 H SER 89 1.807 -14.000 9.542 705 HA SER 89 HA SER 89 2.964 -15.728 10.418 706 HB2 SER 89 HB2 SER 89 1.770 -17.188 8.034 707 HB3 SER 89 HB3 SER 89 2.394 -17.935 9.513 708 HG SER 89 HG SER 89 0.441 -17.655 10.240 Start of MODEL 12 1 H1 GLY 1 H GLY 1 8.699 -12.438 8.003 2 HA2 GLY 1 HA2 GLY 1 6.518 -13.469 6.289 3 HA3 GLY 1 HA3 GLY 1 6.532 -11.827 6.932 4 H HIS 2 H HIS 2 7.846 -10.304 6.006 5 HA HIS 2 HA HIS 2 8.139 -9.094 4.237 6 HB2 HIS 2 HB2 HIS 2 9.856 -9.836 2.448 7 HB3 HIS 2 HB3 HIS 2 10.336 -9.283 4.024 8 HD1 HIS 2 HD1 HIS 2 10.799 -12.392 1.810 9 HD2 HIS 2 HD2 HIS 2 11.289 -11.073 5.801 10 HE1 HIS 2 HE1 HIS 2 12.404 -13.969 2.882 11 H MET 3 H MET 3 8.428 -12.121 2.348 12 HA MET 3 HA MET 3 7.486 -12.550 0.319 13 HB2 MET 3 HB2 MET 3 5.889 -13.464 2.069 14 HB3 MET 3 HB3 MET 3 4.913 -12.017 1.823 15 HG2 MET 3 HG2 MET 3 4.959 -12.725 -0.704 16 HG3 MET 3 HG3 MET 3 5.433 -14.297 -0.087 17 HE1 MET 3 HE1 MET 3 1.534 -14.087 -1.258 18 HE2 MET 3 HE2 MET 3 2.686 -12.806 -1.686 19 HE3 MET 3 HE3 MET 3 3.177 -14.507 -1.801 20 H ASP 4 H ASP 4 8.482 -10.043 0.159 21 HA ASP 4 HA ASP 4 8.358 -8.028 -1.011 22 HB2 ASP 4 HB2 ASP 4 7.985 -8.558 -3.346 23 HB3 ASP 4 HB3 ASP 4 8.975 -9.757 -2.552 24 H THR 5 H THR 5 6.431 -7.668 0.808 25 HA THR 5 HA THR 5 4.582 -6.186 -0.861 26 HB THR 5 HB THR 5 3.561 -7.807 1.498 27 HG1 THR 5 HG1 THR 5 4.222 -9.204 -0.299 28 HG21 THR 5 HG21 THR 5 2.253 -5.787 0.596 29 HG22 THR 5 HG22 THR 5 1.392 -7.320 0.619 30 HG23 THR 5 HG23 THR 5 2.041 -6.690 -0.909 31 H ILE 6 H ILE 6 3.888 -4.280 0.118 32 HA ILE 6 HA ILE 6 4.656 -3.715 2.954 33 HB ILE 6 HB ILE 6 4.637 -1.756 0.646 34 HG12 ILE 6 HG12 ILE 6 6.989 -2.776 2.306 35 HG13 ILE 6 HG13 ILE 6 6.614 -3.336 0.698 36 HG21 ILE 6 HG21 ILE 6 3.951 -0.682 2.831 37 HG22 ILE 6 HG22 ILE 6 5.523 -1.181 3.501 38 HG23 ILE 6 HG23 ILE 6 5.426 -0.036 2.156 39 HD11 ILE 6 HD11 ILE 6 6.889 -0.995 -0.170 40 HD12 ILE 6 HD12 ILE 6 7.496 -0.530 1.444 41 HD13 ILE 6 HD13 ILE 6 8.355 -1.732 0.483 42 H ILE 7 H ILE 7 3.114 -2.493 4.179 43 HA ILE 7 HA ILE 7 0.321 -2.766 3.312 44 HB ILE 7 HB ILE 7 1.445 -2.336 6.083 45 HG12 ILE 7 HG12 ILE 7 0.167 -4.776 4.837 46 HG13 ILE 7 HG13 ILE 7 1.828 -4.610 5.383 47 HG21 ILE 7 HG21 ILE 7 -1.437 -2.873 5.343 48 HG22 ILE 7 HG22 ILE 7 -0.794 -2.379 6.929 49 HG23 ILE 7 HG23 ILE 7 -0.821 -1.222 5.623 50 HD11 ILE 7 HD11 ILE 7 1.002 -4.423 7.728 51 HD12 ILE 7 HD12 ILE 7 -0.676 -4.600 7.134 52 HD13 ILE 7 HD13 ILE 7 0.456 -5.923 6.937 53 H LEU 8 H LEU 8 -0.239 -0.942 2.198 54 HA LEU 8 HA LEU 8 0.638 1.712 3.229 55 HB2 LEU 8 HB2 LEU 8 -1.545 1.235 1.184 56 HB3 LEU 8 HB3 LEU 8 -0.723 2.709 1.630 57 HG LEU 8 HG LEU 8 0.202 0.420 0.000 58 HD11 LEU 8 HD11 LEU 8 -0.887 2.423 -1.027 59 HD12 LEU 8 HD12 LEU 8 0.728 2.087 -1.666 60 HD13 LEU 8 HD13 LEU 8 0.518 3.391 -0.503 61 HD21 LEU 8 HD21 LEU 8 2.168 0.608 1.376 62 HD22 LEU 8 HD22 LEU 8 2.094 2.375 1.345 63 HD23 LEU 8 HD23 LEU 8 2.525 1.450 -0.113 64 H ARG 9 H ARG 9 -0.240 2.090 5.182 65 HA ARG 9 HA ARG 9 -2.960 1.206 5.908 66 HB2 ARG 9 HB2 ARG 9 -0.607 1.966 7.320 67 HB3 ARG 9 HB3 ARG 9 -1.732 3.292 7.599 68 HG2 ARG 9 HG2 ARG 9 -2.411 0.375 8.069 69 HG3 ARG 9 HG3 ARG 9 -1.570 1.395 9.252 70 HD2 ARG 9 HD2 ARG 9 -3.455 3.056 9.118 71 HD3 ARG 9 HD3 ARG 9 -4.362 1.854 8.163 72 HE ARG 9 HE ARG 9 -3.301 0.762 10.625 73 HH11 ARG 9 HH11 ARG 9 -5.739 3.164 9.694 74 HH12 ARG 9 HH12 ARG 9 -7.039 2.423 10.577 75 HH21 ARG 9 HH21 ARG 9 -4.896 0.104 12.207 76 HH22 ARG 9 HH22 ARG 9 -6.318 1.114 12.386 77 H ASN 10 H ASN 10 -4.469 3.092 6.581 78 HA ASN 10 HA ASN 10 -5.459 5.100 6.373 79 HB2 ASN 10 HB2 ASN 10 -2.709 5.815 5.959 80 HB3 ASN 10 HB3 ASN 10 -3.647 6.678 4.748 81 HD21 ASN 10 HD21 ASN 10 -2.190 7.356 7.314 82 HD22 ASN 10 HD22 ASN 10 -3.326 8.193 8.327 83 H LEU 11 H LEU 11 -5.626 2.899 4.361 84 HA LEU 11 HA LEU 11 -6.204 4.294 1.841 85 HB2 LEU 11 HB2 LEU 11 -5.867 1.506 2.735 86 HB3 LEU 11 HB3 LEU 11 -7.268 1.696 1.707 87 HG LEU 11 HG LEU 11 -5.173 1.147 0.499 88 HD11 LEU 11 HD11 LEU 11 -6.219 3.860 -0.354 89 HD12 LEU 11 HD12 LEU 11 -7.112 2.342 -0.579 90 HD13 LEU 11 HD13 LEU 11 -5.550 2.557 -1.364 91 HD21 LEU 11 HD21 LEU 11 -4.164 3.889 1.227 92 HD22 LEU 11 HD22 LEU 11 -3.403 2.719 0.134 93 HD23 LEU 11 HD23 LEU 11 -3.569 2.360 1.863 94 H ASN 12 H ASN 12 -7.929 5.531 1.753 95 HA ASN 12 HA ASN 12 -10.230 5.396 3.371 96 HB2 ASN 12 HB2 ASN 12 -9.409 7.373 2.081 97 HB3 ASN 12 HB3 ASN 12 -9.786 6.547 0.585 98 HD21 ASN 12 HD21 ASN 12 -11.596 7.503 -0.276 99 HD22 ASN 12 HD22 ASN 12 -13.033 7.902 0.650 100 HA PRO 13 HA PRO 13 -12.263 1.910 1.541 101 HB2 PRO 13 HB2 PRO 13 -14.944 2.638 1.848 102 HB3 PRO 13 HB3 PRO 13 -13.885 1.885 3.073 103 HG2 PRO 13 HG2 PRO 13 -14.444 4.821 2.622 104 HG3 PRO 13 HG3 PRO 13 -14.459 3.928 4.169 105 HD2 PRO 13 HD2 PRO 13 -12.341 5.359 3.542 106 HD3 PRO 13 HD3 PRO 13 -11.989 3.726 4.086 107 H HIS 14 H HIS 14 -12.916 5.079 0.225 108 HA HIS 14 HA HIS 14 -13.738 3.801 -2.377 109 HB2 HIS 14 HB2 HIS 14 -14.187 6.577 -1.210 110 HB3 HIS 14 HB3 HIS 14 -14.511 6.177 -2.877 111 HD1 HIS 14 HD1 HIS 14 -16.992 6.137 -3.161 112 HD2 HIS 14 HD2 HIS 14 -15.707 4.310 0.403 113 HE1 HIS 14 HE1 HIS 14 -19.078 5.151 -2.064 114 H SER 15 H SER 15 -10.760 4.716 -1.134 115 HA SER 15 HA SER 15 -9.886 6.366 -3.358 116 HB2 SER 15 HB2 SER 15 -8.695 5.132 -0.947 117 HB3 SER 15 HB3 SER 15 -7.634 5.073 -2.343 118 HG SER 15 HG SER 15 -8.955 7.472 -1.507 119 H THR 16 H THR 16 -8.565 5.762 -5.059 120 HA THR 16 HA THR 16 -8.721 2.941 -5.937 121 HB THR 16 HB THR 16 -8.076 3.640 -8.104 122 HG1 THR 16 HG1 THR 16 -7.937 6.314 -7.177 123 HG21 THR 16 HG21 THR 16 -10.496 3.949 -7.490 124 HG22 THR 16 HG22 THR 16 -9.951 5.022 -8.783 125 HG23 THR 16 HG23 THR 16 -10.163 5.655 -7.145 126 H MET 17 H MET 17 -6.974 1.602 -6.132 127 HA MET 17 HA MET 17 -4.533 2.404 -4.752 128 HB2 MET 17 HB2 MET 17 -3.575 0.396 -5.497 129 HB3 MET 17 HB3 MET 17 -5.164 0.052 -4.846 130 HG2 MET 17 HG2 MET 17 -5.430 0.501 -7.683 131 HG3 MET 17 HG3 MET 17 -4.013 -0.439 -7.394 132 HE1 MET 17 HE1 MET 17 -8.214 -1.844 -5.985 133 HE2 MET 17 HE2 MET 17 -7.382 -0.412 -5.363 134 HE3 MET 17 HE3 MET 17 -8.001 -0.429 -7.035 135 H ASP 18 H ASP 18 -5.848 2.666 -8.010 136 HA ASP 18 HA ASP 18 -3.451 2.769 -9.431 137 HB2 ASP 18 HB2 ASP 18 -5.898 2.459 -10.251 138 HB3 ASP 18 HB3 ASP 18 -5.995 4.207 -10.228 139 H SER 19 H SER 19 -5.341 5.445 -7.929 140 HA SER 19 HA SER 19 -3.572 7.460 -9.136 141 HB2 SER 19 HB2 SER 19 -5.730 7.638 -7.000 142 HB3 SER 19 HB3 SER 19 -4.806 9.015 -7.631 143 HG SER 19 HG SER 19 -5.651 7.598 -9.727 144 H ILE 20 H ILE 20 -3.789 5.574 -6.133 145 HA ILE 20 HA ILE 20 -1.603 6.999 -4.835 146 HB ILE 20 HB ILE 20 -2.602 4.186 -4.483 147 HG12 ILE 20 HG12 ILE 20 -3.138 6.601 -2.741 148 HG13 ILE 20 HG13 ILE 20 -4.237 6.084 -4.020 149 HG21 ILE 20 HG21 ILE 20 -0.795 5.872 -2.659 150 HG22 ILE 20 HG22 ILE 20 -1.416 4.245 -2.294 151 HG23 ILE 20 HG23 ILE 20 -0.267 4.472 -3.600 152 HD11 ILE 20 HD11 ILE 20 -3.519 4.475 -1.561 153 HD12 ILE 20 HD12 ILE 20 -5.054 5.276 -1.932 154 HD13 ILE 20 HD13 ILE 20 -4.519 3.900 -2.919 155 H LEU 21 H LEU 21 -1.685 4.139 -7.037 156 HA LEU 21 HA LEU 21 1.111 3.621 -7.044 157 HB2 LEU 21 HB2 LEU 21 -1.055 3.165 -9.154 158 HB3 LEU 21 HB3 LEU 21 0.612 2.717 -9.422 159 HG LEU 21 HG LEU 21 -1.190 1.462 -7.309 160 HD11 LEU 21 HD11 LEU 21 -1.818 0.895 -9.603 161 HD12 LEU 21 HD12 LEU 21 -1.117 -0.492 -8.764 162 HD13 LEU 21 HD13 LEU 21 -0.154 0.404 -9.964 163 HD21 LEU 21 HD21 LEU 21 1.644 0.750 -8.262 164 HD22 LEU 21 HD22 LEU 21 0.679 -0.173 -7.090 165 HD23 LEU 21 HD23 LEU 21 1.254 1.442 -6.681 166 H GLY 22 H GLY 22 -0.892 5.722 -9.188 167 HA2 GLY 22 HA2 GLY 22 1.376 6.478 -10.757 168 HA3 GLY 22 HA3 GLY 22 -0.208 7.293 -10.737 169 H ALA 23 H ALA 23 -0.108 8.001 -7.845 170 HA ALA 23 HA ALA 23 1.465 10.416 -7.996 171 HB1 ALA 23 HB1 ALA 23 0.197 8.967 -5.616 172 HB2 ALA 23 HB2 ALA 23 1.003 10.543 -5.518 173 HB3 ALA 23 HB3 ALA 23 -0.453 10.378 -6.476 174 H LEU 24 H LEU 24 2.202 7.098 -6.914 175 HA LEU 24 HA LEU 24 4.638 7.996 -5.562 176 HB2 LEU 24 HB2 LEU 24 2.090 8.051 -4.378 177 HB3 LEU 24 HB3 LEU 24 2.680 6.527 -3.854 178 HG LEU 24 HG LEU 24 3.243 8.145 -2.198 179 HD11 LEU 24 HD11 LEU 24 5.640 8.086 -1.984 180 HD12 LEU 24 HD12 LEU 24 5.864 7.808 -3.717 181 HD13 LEU 24 HD13 LEU 24 5.090 6.568 -2.717 182 HD21 LEU 24 HD21 LEU 24 4.275 10.247 -2.553 183 HD22 LEU 24 HD22 LEU 24 2.974 10.119 -3.732 184 HD23 LEU 24 HD23 LEU 24 4.660 9.881 -4.240 185 H ALA 25 H ALA 25 4.425 6.190 -7.809 186 HA ALA 25 HA ALA 25 5.672 3.882 -6.364 187 HB1 ALA 25 HB1 ALA 25 3.618 3.293 -7.629 188 HB2 ALA 25 HB2 ALA 25 4.493 3.718 -9.123 189 HB3 ALA 25 HB3 ALA 25 5.079 2.418 -8.064 190 HA PRO 26 HA PRO 26 9.273 5.967 -8.452 191 HB2 PRO 26 HB2 PRO 26 10.515 5.679 -5.790 192 HB3 PRO 26 HB3 PRO 26 10.346 7.141 -6.781 193 HG2 PRO 26 HG2 PRO 26 8.928 6.553 -4.420 194 HG3 PRO 26 HG3 PRO 26 8.502 7.798 -5.623 195 HD2 PRO 26 HD2 PRO 26 7.147 5.200 -5.166 196 HD3 PRO 26 HD3 PRO 26 6.664 6.646 -6.042 197 H TYR 27 H TYR 27 8.455 3.117 -6.744 198 HA TYR 27 HA TYR 27 11.132 1.823 -7.054 199 HB2 TYR 27 HB2 TYR 27 10.175 0.646 -4.839 200 HB3 TYR 27 HB3 TYR 27 11.134 2.112 -4.795 201 HD1 TYR 27 HD1 TYR 27 10.474 3.965 -3.634 202 HD2 TYR 27 HD2 TYR 27 7.524 0.926 -4.471 203 HE1 TYR 27 HE1 TYR 27 8.927 5.181 -2.388 204 HE2 TYR 27 HE2 TYR 27 5.859 2.228 -3.243 205 HH TYR 27 HH TYR 27 6.689 5.306 -1.587 206 H ALA 28 H ALA 28 7.797 1.187 -6.258 207 HA ALA 28 HA ALA 28 7.870 -1.549 -7.426 208 HB1 ALA 28 HB1 ALA 28 5.430 0.059 -6.512 209 HB2 ALA 28 HB2 ALA 28 5.543 -1.700 -6.767 210 HB3 ALA 28 HB3 ALA 28 6.404 -0.957 -5.425 211 H VAL 29 H VAL 29 6.789 -2.087 -9.469 212 HA VAL 29 HA VAL 29 5.800 0.291 -10.998 213 HB VAL 29 HB VAL 29 7.562 -1.735 -12.365 214 HG11 VAL 29 HG11 VAL 29 6.020 -0.001 -13.503 215 HG12 VAL 29 HG12 VAL 29 7.075 1.242 -12.850 216 HG13 VAL 29 HG13 VAL 29 7.728 0.043 -13.996 217 HG21 VAL 29 HG21 VAL 29 9.478 -0.186 -12.179 218 HG22 VAL 29 HG22 VAL 29 8.578 0.828 -11.034 219 HG23 VAL 29 HG23 VAL 29 9.050 -0.821 -10.598 220 H LEU 30 H LEU 30 4.030 -0.908 -9.869 221 HA LEU 30 HA LEU 30 3.106 -3.400 -11.159 222 HB2 LEU 30 HB2 LEU 30 1.521 -1.981 -9.039 223 HB3 LEU 30 HB3 LEU 30 1.636 -3.692 -9.393 224 HG LEU 30 HG LEU 30 3.731 -1.991 -8.029 225 HD11 LEU 30 HD11 LEU 30 3.050 -2.967 -6.022 226 HD12 LEU 30 HD12 LEU 30 2.092 -4.225 -6.807 227 HD13 LEU 30 HD13 LEU 30 1.544 -2.522 -6.807 228 HD21 LEU 30 HD21 LEU 30 4.721 -3.912 -9.344 229 HD22 LEU 30 HD22 LEU 30 3.727 -5.031 -8.402 230 HD23 LEU 30 HD23 LEU 30 4.971 -4.052 -7.609 231 H SER 31 H SER 31 0.616 -3.501 -11.455 232 HA SER 31 HA SER 31 -0.566 -0.905 -12.213 233 HB2 SER 31 HB2 SER 31 -0.137 -2.417 -14.206 234 HB3 SER 31 HB3 SER 31 -1.302 -3.548 -13.513 235 HG SER 31 HG SER 31 -2.934 -2.185 -13.938 236 H SER 32 H SER 32 -2.948 -1.006 -11.850 237 HA SER 32 HA SER 32 -3.661 -1.837 -9.253 238 HB2 SER 32 HB2 SER 32 -5.301 -0.826 -11.604 239 HB3 SER 32 HB3 SER 32 -5.803 -1.042 -9.909 240 HG SER 32 HG SER 32 -4.393 1.000 -11.015 241 H SER 33 H SER 33 -3.160 -3.981 -11.131 242 HA SER 33 HA SER 33 -5.239 -5.794 -10.045 243 HB2 SER 33 HB2 SER 33 -4.220 -5.868 -12.791 244 HB3 SER 33 HB3 SER 33 -4.567 -7.416 -12.001 245 HG SER 33 HG SER 33 -6.324 -5.272 -12.560 246 H ASN 34 H ASN 34 -2.520 -4.698 -9.240 247 HA ASN 34 HA ASN 34 -1.481 -7.372 -8.294 248 HB2 ASN 34 HB2 ASN 34 0.022 -5.138 -9.231 249 HB3 ASN 34 HB3 ASN 34 0.160 -5.087 -7.502 250 HD21 ASN 34 HD21 ASN 34 1.851 -6.136 -10.061 251 HD22 ASN 34 HD22 ASN 34 2.712 -7.412 -9.268 252 H VAL 35 H VAL 35 -2.035 -3.994 -7.337 253 HA VAL 35 HA VAL 35 -1.765 -4.381 -4.627 254 HB VAL 35 HB VAL 35 -3.389 -2.227 -6.019 255 HG11 VAL 35 HG11 VAL 35 -3.889 -2.093 -3.695 256 HG12 VAL 35 HG12 VAL 35 -2.234 -2.516 -3.225 257 HG13 VAL 35 HG13 VAL 35 -2.589 -0.919 -3.919 258 HG21 VAL 35 HG21 VAL 35 -1.272 -0.902 -5.857 259 HG22 VAL 35 HG22 VAL 35 -0.425 -2.387 -5.369 260 HG23 VAL 35 HG23 VAL 35 -1.163 -2.255 -6.979 261 H ARG 36 H ARG 36 -2.941 -5.265 -3.085 262 HA ARG 36 HA ARG 36 -5.823 -5.849 -3.625 263 HB2 ARG 36 HB2 ARG 36 -4.262 -7.766 -3.484 264 HB3 ARG 36 HB3 ARG 36 -3.803 -7.279 -1.860 265 HG2 ARG 36 HG2 ARG 36 -5.418 -9.127 -1.861 266 HG3 ARG 36 HG3 ARG 36 -6.033 -7.710 -1.026 267 HD2 ARG 36 HD2 ARG 36 -7.719 -8.873 -2.419 268 HD3 ARG 36 HD3 ARG 36 -7.533 -7.156 -2.809 269 HE ARG 36 HE ARG 36 -5.927 -9.015 -4.432 270 HH11 ARG 36 HH11 ARG 36 -9.149 -7.552 -4.136 271 HH12 ARG 36 HH12 ARG 36 -9.372 -7.436 -5.871 272 HH21 ARG 36 HH21 ARG 36 -6.267 -8.830 -6.729 273 HH22 ARG 36 HH22 ARG 36 -7.819 -8.370 -7.312 274 H VAL 37 H VAL 37 -7.053 -4.201 -2.616 275 HA VAL 37 HA VAL 37 -5.977 -3.143 -0.060 276 HB VAL 37 HB VAL 37 -8.530 -2.102 -1.158 277 HG11 VAL 37 HG11 VAL 37 -7.564 -1.293 1.003 278 HG12 VAL 37 HG12 VAL 37 -6.083 -0.889 0.183 279 HG13 VAL 37 HG13 VAL 37 -7.534 0.014 -0.213 280 HG21 VAL 37 HG21 VAL 37 -5.908 -1.156 -2.345 281 HG22 VAL 37 HG22 VAL 37 -7.238 -1.975 -3.217 282 HG23 VAL 37 HG23 VAL 37 -7.518 -0.388 -2.466 283 H ILE 38 H ILE 38 -6.997 -5.872 -0.214 284 HA ILE 38 HA ILE 38 -8.541 -7.336 0.556 285 HB ILE 38 HB ILE 38 -8.639 -5.666 3.045 286 HG12 ILE 38 HG12 ILE 38 -6.343 -5.389 2.562 287 HG13 ILE 38 HG13 ILE 38 -6.563 -6.504 3.890 288 HG21 ILE 38 HG21 ILE 38 -8.451 -7.876 4.175 289 HG22 ILE 38 HG22 ILE 38 -9.890 -7.704 3.163 290 HG23 ILE 38 HG23 ILE 38 -8.507 -8.654 2.580 291 HD11 ILE 38 HD11 ILE 38 -6.138 -8.414 2.390 292 HD12 ILE 38 HD12 ILE 38 -5.835 -7.272 1.054 293 HD13 ILE 38 HD13 ILE 38 -4.774 -7.284 2.469 294 H LYS 39 H LYS 39 -9.989 -6.281 -1.183 295 HA LYS 39 HA LYS 39 -12.049 -4.421 -0.389 296 HB2 LYS 39 HB2 LYS 39 -12.057 -6.472 -2.637 297 HB3 LYS 39 HB3 LYS 39 -13.215 -5.189 -2.465 298 HG2 LYS 39 HG2 LYS 39 -10.274 -4.449 -2.698 299 HG3 LYS 39 HG3 LYS 39 -11.125 -5.026 -4.124 300 HD2 LYS 39 HD2 LYS 39 -12.898 -3.274 -3.721 301 HD3 LYS 39 HD3 LYS 39 -11.904 -2.643 -2.398 302 HE2 LYS 39 HE2 LYS 39 -10.035 -2.341 -4.145 303 HE3 LYS 39 HE3 LYS 39 -11.240 -2.755 -5.381 304 HZ1 LYS 39 HZ1 LYS 39 -11.198 -0.376 -5.175 305 HZ2 LYS 39 HZ2 LYS 39 -11.298 -0.468 -3.528 306 HZ3 LYS 39 HZ3 LYS 39 -12.580 -0.870 -4.466 307 H ASP 40 H ASP 40 -14.044 -4.871 0.571 308 HA ASP 40 HA ASP 40 -14.342 -7.402 1.902 309 HB2 ASP 40 HB2 ASP 40 -15.405 -5.019 2.399 310 HB3 ASP 40 HB3 ASP 40 -16.734 -5.637 1.420 311 H LYS 41 H LYS 41 -16.654 -8.547 1.636 312 HA LYS 41 HA LYS 41 -17.168 -9.232 -1.193 313 HB2 LYS 41 HB2 LYS 41 -18.692 -11.026 0.031 314 HB3 LYS 41 HB3 LYS 41 -17.081 -11.332 -0.571 315 HG2 LYS 41 HG2 LYS 41 -17.361 -10.322 2.224 316 HG3 LYS 41 HG3 LYS 41 -17.921 -11.967 1.918 317 HD2 LYS 41 HD2 LYS 41 -15.124 -11.013 1.183 318 HD3 LYS 41 HD3 LYS 41 -15.520 -11.823 2.709 319 HE2 LYS 41 HE2 LYS 41 -16.288 -13.823 1.526 320 HE3 LYS 41 HE3 LYS 41 -16.081 -13.032 -0.040 321 HZ1 LYS 41 HZ1 LYS 41 -13.683 -12.892 0.451 322 HZ2 LYS 41 HZ2 LYS 41 -14.213 -14.452 0.401 323 HZ3 LYS 41 HZ3 LYS 41 -13.899 -13.745 1.827 324 H GLN 42 H GLN 42 -18.692 -8.340 1.938 325 HA GLN 42 HA GLN 42 -21.340 -8.213 0.779 326 HB2 GLN 42 HB2 GLN 42 -20.171 -7.081 3.359 327 HB3 GLN 42 HB3 GLN 42 -21.841 -6.803 2.867 328 HG2 GLN 42 HG2 GLN 42 -21.943 -8.613 4.353 329 HG3 GLN 42 HG3 GLN 42 -22.187 -9.300 2.748 330 HE21 GLN 42 HE21 GLN 42 -19.369 -8.465 4.922 331 HE22 GLN 42 HE22 GLN 42 -18.655 -10.070 4.713 332 H THR 43 H THR 43 -19.038 -5.662 1.762 333 HA THR 43 HA THR 43 -20.733 -3.678 0.381 334 HB THR 43 HB THR 43 -20.325 -3.418 2.786 335 HG1 THR 43 HG1 THR 43 -20.675 -1.610 1.599 336 HG21 THR 43 HG21 THR 43 -18.131 -2.721 3.640 337 HG22 THR 43 HG22 THR 43 -17.389 -3.136 2.087 338 HG23 THR 43 HG23 THR 43 -18.144 -4.390 3.102 339 H GLN 44 H GLN 44 -17.845 -5.362 -0.252 340 HA GLN 44 HA GLN 44 -16.126 -5.164 -1.694 341 HB2 GLN 44 HB2 GLN 44 -18.146 -3.470 -3.212 342 HB3 GLN 44 HB3 GLN 44 -16.651 -4.082 -3.893 343 HG2 GLN 44 HG2 GLN 44 -18.836 -5.852 -2.708 344 HG3 GLN 44 HG3 GLN 44 -18.649 -5.479 -4.433 345 HE21 GLN 44 HE21 GLN 44 -18.439 -7.995 -2.727 346 HE22 GLN 44 HE22 GLN 44 -16.870 -8.694 -3.036 347 H LEU 45 H LEU 45 -16.484 -2.906 0.422 348 HA LEU 45 HA LEU 45 -14.978 -0.691 -0.743 349 HB2 LEU 45 HB2 LEU 45 -15.712 -1.370 2.144 350 HB3 LEU 45 HB3 LEU 45 -14.980 0.136 1.627 351 HG LEU 45 HG LEU 45 -17.690 -0.854 0.674 352 HD11 LEU 45 HD11 LEU 45 -17.805 -0.349 3.030 353 HD12 LEU 45 HD12 LEU 45 -18.647 0.888 2.107 354 HD13 LEU 45 HD13 LEU 45 -17.032 1.249 2.766 355 HD21 LEU 45 HD21 LEU 45 -16.784 0.488 -1.017 356 HD22 LEU 45 HD22 LEU 45 -16.115 1.666 0.137 357 HD23 LEU 45 HD23 LEU 45 -17.865 1.548 -0.102 358 H ASN 46 H ASN 46 -12.960 -0.032 -0.022 359 HA ASN 46 HA ASN 46 -10.977 -2.108 0.369 360 HB2 ASN 46 HB2 ASN 46 -10.672 0.873 1.012 361 HB3 ASN 46 HB3 ASN 46 -9.424 -0.284 0.811 362 HD21 ASN 46 HD21 ASN 46 -9.740 2.246 -0.612 363 HD22 ASN 46 HD22 ASN 46 -9.901 1.881 -2.297 364 H ARG 47 H ARG 47 -10.247 -2.951 2.369 365 HA ARG 47 HA ARG 47 -11.826 -2.437 4.716 366 HB2 ARG 47 HB2 ARG 47 -9.449 -4.078 4.004 367 HB3 ARG 47 HB3 ARG 47 -9.704 -3.826 5.711 368 HG2 ARG 47 HG2 ARG 47 -12.036 -4.730 3.984 369 HG3 ARG 47 HG3 ARG 47 -10.859 -5.897 4.570 370 HD2 ARG 47 HD2 ARG 47 -11.586 -5.841 6.674 371 HD3 ARG 47 HD3 ARG 47 -11.688 -4.072 6.723 372 HE ARG 47 HE ARG 47 -13.841 -4.862 5.167 373 HH11 ARG 47 HH11 ARG 47 -12.719 -5.285 8.499 374 HH12 ARG 47 HH12 ARG 47 -14.268 -5.727 9.140 375 HH21 ARG 47 HH21 ARG 47 -15.882 -5.543 5.977 376 HH22 ARG 47 HH22 ARG 47 -16.196 -5.550 7.696 377 H GLY 48 H GLY 48 -8.895 -0.823 3.685 378 HA2 GLY 48 HA2 GLY 48 -8.766 1.340 5.138 379 HA3 GLY 48 HA3 GLY 48 -8.479 0.219 6.455 380 H PHE 49 H PHE 49 -6.974 -1.513 4.198 381 HA PHE 49 HA PHE 49 -4.549 0.084 3.994 382 HB2 PHE 49 HB2 PHE 49 -3.338 -2.040 4.893 383 HB3 PHE 49 HB3 PHE 49 -3.983 -0.859 6.008 384 HD1 PHE 49 HD1 PHE 49 -4.583 -4.234 4.546 385 HD2 PHE 49 HD2 PHE 49 -5.699 -1.410 7.606 386 HE1 PHE 49 HE1 PHE 49 -5.696 -6.054 5.839 387 HE2 PHE 49 HE2 PHE 49 -6.914 -3.200 8.816 388 HZ PHE 49 HZ PHE 49 -6.878 -5.537 7.945 389 H ALA 50 H ALA 50 -3.073 -0.720 2.415 390 HA ALA 50 HA ALA 50 -4.215 -2.681 0.486 391 HB1 ALA 50 HB1 ALA 50 -2.930 -1.500 -1.263 392 HB2 ALA 50 HB2 ALA 50 -4.121 -0.420 -0.564 393 HB3 ALA 50 HB3 ALA 50 -2.415 -0.295 -0.094 394 H PHE 51 H PHE 51 -2.892 -4.146 -0.434 395 HA PHE 51 HA PHE 51 -0.192 -4.546 0.737 396 HB2 PHE 51 HB2 PHE 51 -2.352 -6.368 -0.366 397 HB3 PHE 51 HB3 PHE 51 -0.674 -6.855 -0.428 398 HD1 PHE 51 HD1 PHE 51 -0.340 -8.542 1.166 399 HD2 PHE 51 HD2 PHE 51 -2.676 -5.086 2.310 400 HE1 PHE 51 HE1 PHE 51 -0.188 -9.198 3.560 401 HE2 PHE 51 HE2 PHE 51 -2.537 -5.783 4.667 402 HZ PHE 51 HZ PHE 51 -1.250 -7.794 5.296 403 H ILE 52 H ILE 52 1.216 -3.467 -0.520 404 HA ILE 52 HA ILE 52 0.920 -3.288 -3.477 405 HB ILE 52 HB ILE 52 3.011 -2.112 -1.566 406 HG12 ILE 52 HG12 ILE 52 0.911 -1.160 -1.062 407 HG13 ILE 52 HG13 ILE 52 1.922 0.044 -1.866 408 HG21 ILE 52 HG21 ILE 52 3.642 -0.614 -3.404 409 HG22 ILE 52 HG22 ILE 52 3.914 -2.295 -3.831 410 HG23 ILE 52 HG23 ILE 52 2.504 -1.430 -4.493 411 HD11 ILE 52 HD11 ILE 52 -0.296 -1.543 -3.196 412 HD12 ILE 52 HD12 ILE 52 -0.461 0.117 -2.609 413 HD13 ILE 52 HD13 ILE 52 0.639 -0.253 -3.957 414 H GLN 53 H GLN 53 1.838 -4.997 -4.621 415 HA GLN 53 HA GLN 53 3.663 -6.795 -3.242 416 HB2 GLN 53 HB2 GLN 53 1.872 -7.174 -5.195 417 HB3 GLN 53 HB3 GLN 53 3.228 -6.705 -6.233 418 HG2 GLN 53 HG2 GLN 53 3.330 -9.074 -6.087 419 HG3 GLN 53 HG3 GLN 53 4.576 -8.472 -4.972 420 HE21 GLN 53 HE21 GLN 53 4.619 -9.610 -3.198 421 HE22 GLN 53 HE22 GLN 53 3.302 -10.234 -2.219 422 H LEU 54 H LEU 54 5.987 -6.893 -3.718 423 HA LEU 54 HA LEU 54 7.050 -4.514 -5.210 424 HB2 LEU 54 HB2 LEU 54 8.121 -6.203 -2.934 425 HB3 LEU 54 HB3 LEU 54 9.216 -5.340 -3.990 426 HG LEU 54 HG LEU 54 8.834 -4.077 -2.003 427 HD11 LEU 54 HD11 LEU 54 9.158 -2.949 -4.247 428 HD12 LEU 54 HD12 LEU 54 8.459 -1.952 -2.950 429 HD13 LEU 54 HD13 LEU 54 7.417 -2.610 -4.229 430 HD21 LEU 54 HD21 LEU 54 6.705 -3.005 -1.465 431 HD22 LEU 54 HD22 LEU 54 6.547 -4.776 -1.398 432 HD23 LEU 54 HD23 LEU 54 5.897 -3.849 -2.766 433 H SER 55 H SER 55 9.142 -4.866 -6.407 434 HA SER 55 HA SER 55 8.857 -7.097 -8.220 435 HB2 SER 55 HB2 SER 55 9.936 -4.583 -8.402 436 HB3 SER 55 HB3 SER 55 11.395 -5.532 -8.119 437 HG SER 55 HG SER 55 11.099 -6.642 -9.891 438 H THR 56 H THR 56 10.645 -6.458 -5.184 439 HA THR 56 HA THR 56 11.411 -9.309 -5.176 440 HB THR 56 HB THR 56 13.660 -8.752 -4.272 441 HG1 THR 56 HG1 THR 56 13.248 -6.155 -5.314 442 HG21 THR 56 HG21 THR 56 13.264 -7.627 -7.068 443 HG22 THR 56 HG22 THR 56 13.511 -9.339 -6.644 444 HG23 THR 56 HG23 THR 56 14.783 -8.139 -6.336 445 H ILE 57 H ILE 57 11.971 -10.071 -2.937 446 HA ILE 57 HA ILE 57 10.375 -8.836 -0.883 447 HB ILE 57 HB ILE 57 11.396 -10.403 0.630 448 HG12 ILE 57 HG12 ILE 57 13.003 -12.179 -0.702 449 HG13 ILE 57 HG13 ILE 57 13.538 -10.694 -1.450 450 HG21 ILE 57 HG21 ILE 57 10.778 -11.724 -2.043 451 HG22 ILE 57 HG22 ILE 57 10.646 -12.468 -0.442 452 HG23 ILE 57 HG23 ILE 57 9.583 -11.164 -0.884 453 HD11 ILE 57 HD11 ILE 57 14.885 -11.267 0.532 454 HD12 ILE 57 HD12 ILE 57 14.009 -9.760 0.848 455 HD13 ILE 57 HD13 ILE 57 13.444 -11.291 1.548 456 H VAL 58 H VAL 58 13.667 -8.487 -1.937 457 HA VAL 58 HA VAL 58 14.747 -7.191 0.326 458 HB VAL 58 HB VAL 58 15.577 -6.981 -2.601 459 HG11 VAL 58 HG11 VAL 58 17.113 -6.554 -0.002 460 HG12 VAL 58 HG12 VAL 58 17.849 -6.595 -1.616 461 HG13 VAL 58 HG13 VAL 58 16.712 -5.306 -1.202 462 HG21 VAL 58 HG21 VAL 58 15.469 -9.328 -1.997 463 HG22 VAL 58 HG22 VAL 58 17.154 -8.836 -2.023 464 HG23 VAL 58 HG23 VAL 58 16.308 -9.011 -0.463 465 H GLU 59 H GLU 59 13.222 -5.829 -2.688 466 HA GLU 59 HA GLU 59 13.456 -3.097 -2.040 467 HB2 GLU 59 HB2 GLU 59 11.373 -4.741 -3.464 468 HB3 GLU 59 HB3 GLU 59 11.160 -3.005 -3.260 469 HG2 GLU 59 HG2 GLU 59 12.790 -2.425 -4.747 470 HG3 GLU 59 HG3 GLU 59 13.766 -3.865 -4.412 471 H ALA 60 H ALA 60 11.399 -5.560 -0.508 472 HA ALA 60 HA ALA 60 9.372 -3.571 0.237 473 HB1 ALA 60 HB1 ALA 60 9.663 -6.407 1.301 474 HB2 ALA 60 HB2 ALA 60 8.235 -5.340 1.347 475 HB3 ALA 60 HB3 ALA 60 8.807 -5.965 -0.199 476 H ALA 61 H ALA 61 11.967 -5.389 1.842 477 HA ALA 61 HA ALA 61 11.727 -4.038 4.385 478 HB1 ALA 61 HB1 ALA 61 14.104 -5.484 3.117 479 HB2 ALA 61 HB2 ALA 61 13.954 -5.027 4.830 480 HB3 ALA 61 HB3 ALA 61 12.852 -6.226 4.132 481 H GLN 62 H GLN 62 13.504 -3.274 1.376 482 HA GLN 62 HA GLN 62 15.072 -1.196 2.598 483 HB2 GLN 62 HB2 GLN 62 14.606 -2.272 -0.160 484 HB3 GLN 62 HB3 GLN 62 15.080 -0.582 -0.068 485 HG2 GLN 62 HG2 GLN 62 16.965 -2.256 -0.266 486 HG3 GLN 62 HG3 GLN 62 17.098 -1.006 0.954 487 HE21 GLN 62 HE21 GLN 62 15.636 -4.296 0.906 488 HE22 GLN 62 HE22 GLN 62 15.972 -4.612 2.556 489 H LEU 63 H LEU 63 12.151 -1.029 0.390 490 HA LEU 63 HA LEU 63 12.142 1.751 0.577 491 HB2 LEU 63 HB2 LEU 63 10.023 -0.260 -0.193 492 HB3 LEU 63 HB3 LEU 63 9.591 1.413 0.043 493 HG LEU 63 HG LEU 63 9.959 1.381 -2.172 494 HD11 LEU 63 HD11 LEU 63 12.816 2.021 -1.450 495 HD12 LEU 63 HD12 LEU 63 11.476 3.157 -1.158 496 HD13 LEU 63 HD13 LEU 63 11.900 2.637 -2.787 497 HD21 LEU 63 HD21 LEU 63 11.874 0.221 -3.338 498 HD22 LEU 63 HD22 LEU 63 10.857 -0.883 -2.402 499 HD23 LEU 63 HD23 LEU 63 12.429 -0.346 -1.757 500 H LEU 64 H LEU 64 10.615 -0.641 2.740 501 HA LEU 64 HA LEU 64 9.005 0.965 4.270 502 HB2 LEU 64 HB2 LEU 64 9.666 -1.531 4.516 503 HB3 LEU 64 HB3 LEU 64 11.047 -0.992 5.449 504 HG LEU 64 HG LEU 64 9.317 -1.783 6.886 505 HD11 LEU 64 HD11 LEU 64 10.547 0.233 7.724 506 HD12 LEU 64 HD12 LEU 64 8.944 -0.025 8.433 507 HD13 LEU 64 HD13 LEU 64 9.156 1.220 7.198 508 HD21 LEU 64 HD21 LEU 64 7.406 -1.579 5.431 509 HD22 LEU 64 HD22 LEU 64 7.474 0.183 5.487 510 HD23 LEU 64 HD23 LEU 64 7.069 -0.710 6.950 511 H GLN 65 H GLN 65 12.596 0.744 4.708 512 HA GLN 65 HA GLN 65 12.358 2.703 6.894 513 HB2 GLN 65 HB2 GLN 65 14.718 2.438 7.233 514 HB3 GLN 65 HB3 GLN 65 13.961 0.863 7.050 515 HG2 GLN 65 HG2 GLN 65 14.802 1.642 4.424 516 HG3 GLN 65 HG3 GLN 65 16.029 2.177 5.512 517 HE21 GLN 65 HE21 GLN 65 16.763 0.402 3.595 518 HE22 GLN 65 HE22 GLN 65 16.954 -1.222 4.217 519 H ILE 66 H ILE 66 12.819 2.839 3.463 520 HA ILE 66 HA ILE 66 14.074 5.466 3.365 521 HB ILE 66 HB ILE 66 12.581 3.959 1.141 522 HG12 ILE 66 HG12 ILE 66 15.575 4.358 1.442 523 HG13 ILE 66 HG13 ILE 66 14.831 2.959 2.170 524 HG21 ILE 66 HG21 ILE 66 12.595 6.386 0.793 525 HG22 ILE 66 HG22 ILE 66 14.356 6.421 1.015 526 HG23 ILE 66 HG23 ILE 66 13.625 5.551 -0.357 527 HD11 ILE 66 HD11 ILE 66 15.866 2.701 -0.161 528 HD12 ILE 66 HD12 ILE 66 14.307 1.971 0.126 529 HD13 ILE 66 HD13 ILE 66 14.411 3.508 -0.779 530 H LEU 67 H LEU 67 10.772 4.167 2.888 531 HA LEU 67 HA LEU 67 9.679 6.674 2.240 532 HB2 LEU 67 HB2 LEU 67 8.079 4.397 3.435 533 HB3 LEU 67 HB3 LEU 67 7.553 5.703 2.372 534 HG LEU 67 HG LEU 67 8.913 3.135 1.658 535 HD11 LEU 67 HD11 LEU 67 6.554 3.170 1.663 536 HD12 LEU 67 HD12 LEU 67 7.166 3.010 0.021 537 HD13 LEU 67 HD13 LEU 67 6.530 4.584 0.591 538 HD21 LEU 67 HD21 LEU 67 8.982 5.552 -0.136 539 HD22 LEU 67 HD22 LEU 67 9.397 3.850 -0.566 540 HD23 LEU 67 HD23 LEU 67 10.381 4.716 0.577 541 H GLN 68 H GLN 68 9.903 5.012 5.384 542 HA GLN 68 HA GLN 68 8.247 6.678 6.955 543 HB2 GLN 68 HB2 GLN 68 10.878 5.320 7.654 544 HB3 GLN 68 HB3 GLN 68 9.761 5.964 8.840 545 HG2 GLN 68 HG2 GLN 68 8.742 3.914 6.873 546 HG3 GLN 68 HG3 GLN 68 9.847 3.388 8.143 547 HE21 GLN 68 HE21 GLN 68 7.315 2.413 7.758 548 HE22 GLN 68 HE22 GLN 68 6.372 2.703 9.213 549 H ALA 69 H ALA 69 11.499 7.294 5.704 550 HA ALA 69 HA ALA 69 11.993 9.568 7.477 551 HB1 ALA 69 HB1 ALA 69 13.793 8.059 6.557 552 HB2 ALA 69 HB2 ALA 69 13.445 8.722 4.937 553 HB3 ALA 69 HB3 ALA 69 14.052 9.785 6.218 554 H LEU 70 H LEU 70 10.230 9.095 4.522 555 HA LEU 70 HA LEU 70 10.684 11.895 3.637 556 HB2 LEU 70 HB2 LEU 70 9.486 9.560 2.091 557 HB3 LEU 70 HB3 LEU 70 9.909 11.151 1.450 558 HG LEU 70 HG LEU 70 11.827 9.040 2.482 559 HD11 LEU 70 HD11 LEU 70 11.455 10.141 -0.327 560 HD12 LEU 70 HD12 LEU 70 10.867 8.563 0.259 561 HD13 LEU 70 HD13 LEU 70 12.599 8.875 0.180 562 HD21 LEU 70 HD21 LEU 70 12.744 11.208 3.049 563 HD22 LEU 70 HD22 LEU 70 12.439 11.804 1.397 564 HD23 LEU 70 HD23 LEU 70 13.646 10.513 1.706 565 H HIS 71 H HIS 71 8.836 12.917 2.696 566 HA HIS 71 HA HIS 71 6.126 12.080 3.487 567 HB2 HIS 71 HB2 HIS 71 5.778 14.473 4.480 568 HB3 HIS 71 HB3 HIS 71 6.427 13.187 5.473 569 HD1 HIS 71 HD1 HIS 71 8.921 13.381 6.295 570 HD2 HIS 71 HD2 HIS 71 7.584 16.428 3.715 571 HE1 HIS 71 HE1 HIS 71 10.836 15.078 6.143 572 HA PRO 72 HA PRO 72 6.599 14.247 -0.602 573 HB2 PRO 72 HB2 PRO 72 5.179 12.415 -2.080 574 HB3 PRO 72 HB3 PRO 72 6.938 12.299 -1.789 575 HG2 PRO 72 HG2 PRO 72 4.692 10.892 -0.312 576 HG3 PRO 72 HG3 PRO 72 6.220 10.189 -0.934 577 HD2 PRO 72 HD2 PRO 72 5.897 10.916 1.669 578 HD3 PRO 72 HD3 PRO 72 7.464 11.123 0.832 579 HA PRO 73 HA PRO 73 2.679 15.962 0.293 580 HB2 PRO 73 HB2 PRO 73 2.174 17.596 -1.819 581 HB3 PRO 73 HB3 PRO 73 3.609 17.782 -0.781 582 HG2 PRO 73 HG2 PRO 73 3.459 16.345 -3.456 583 HG3 PRO 73 HG3 PRO 73 4.635 17.592 -2.934 584 HD2 PRO 73 HD2 PRO 73 5.117 14.901 -2.786 585 HD3 PRO 73 HD3 PRO 73 5.785 16.061 -1.597 586 H LEU 74 H LEU 74 1.915 13.559 0.056 587 HA LEU 74 HA LEU 74 -0.267 13.317 -1.932 588 HB2 LEU 74 HB2 LEU 74 1.548 11.647 -2.144 589 HB3 LEU 74 HB3 LEU 74 1.343 11.194 -0.447 590 HG LEU 74 HG LEU 74 -1.008 10.455 -0.927 591 HD11 LEU 74 HD11 LEU 74 -0.250 11.374 -3.719 592 HD12 LEU 74 HD12 LEU 74 -1.664 11.837 -2.767 593 HD13 LEU 74 HD13 LEU 74 -1.552 10.207 -3.441 594 HD21 LEU 74 HD21 LEU 74 1.022 9.210 -2.792 595 HD22 LEU 74 HD22 LEU 74 -0.451 8.446 -2.178 596 HD23 LEU 74 HD23 LEU 74 0.873 8.850 -1.057 597 H THR 75 H THR 75 -2.208 13.785 -0.980 598 HA THR 75 HA THR 75 -2.892 12.162 1.375 599 HB THR 75 HB THR 75 -3.747 15.057 1.292 600 HG1 THR 75 HG1 THR 75 -1.419 14.820 1.724 601 HG21 THR 75 HG21 THR 75 -5.156 13.486 2.567 602 HG22 THR 75 HG22 THR 75 -4.380 14.661 3.641 603 HG23 THR 75 HG23 THR 75 -3.753 13.002 3.542 604 H ILE 76 H ILE 76 -4.365 10.867 0.273 605 HA ILE 76 HA ILE 76 -6.276 12.213 -1.568 606 HB ILE 76 HB ILE 76 -5.671 9.250 -1.280 607 HG12 ILE 76 HG12 ILE 76 -4.696 11.266 -3.371 608 HG13 ILE 76 HG13 ILE 76 -3.707 10.415 -2.180 609 HG21 ILE 76 HG21 ILE 76 -7.042 9.105 -3.371 610 HG22 ILE 76 HG22 ILE 76 -7.961 9.727 -2.047 611 HG23 ILE 76 HG23 ILE 76 -7.337 10.836 -3.299 612 HD11 ILE 76 HD11 ILE 76 -3.393 9.210 -4.179 613 HD12 ILE 76 HD12 ILE 76 -4.508 8.261 -3.172 614 HD13 ILE 76 HD13 ILE 76 -5.120 9.201 -4.557 615 H ASP 77 H ASP 77 -8.356 12.284 -0.962 616 HA ASP 77 HA ASP 77 -10.214 12.251 0.316 617 HB2 ASP 77 HB2 ASP 77 -9.308 9.450 1.057 618 HB3 ASP 77 HB3 ASP 77 -10.950 10.092 1.141 619 H GLY 78 H GLY 78 -7.924 13.471 1.524 620 HA2 GLY 78 HA2 GLY 78 -7.156 14.289 3.496 621 HA3 GLY 78 HA3 GLY 78 -8.663 13.776 4.244 622 H LYS 79 H LYS 79 -6.683 11.280 2.734 623 HA LYS 79 HA LYS 79 -5.849 10.312 5.424 624 HB2 LYS 79 HB2 LYS 79 -6.567 8.694 2.966 625 HB3 LYS 79 HB3 LYS 79 -6.186 8.124 4.577 626 HG2 LYS 79 HG2 LYS 79 -8.385 9.889 4.939 627 HG3 LYS 79 HG3 LYS 79 -8.760 8.994 3.458 628 HD2 LYS 79 HD2 LYS 79 -8.379 6.864 4.714 629 HD3 LYS 79 HD3 LYS 79 -8.132 7.823 6.199 630 HE2 LYS 79 HE2 LYS 79 -10.395 8.862 5.871 631 HE3 LYS 79 HE3 LYS 79 -10.602 7.906 4.406 632 HZ1 LYS 79 HZ1 LYS 79 -11.704 6.701 6.010 633 HZ2 LYS 79 HZ2 LYS 79 -10.631 6.986 7.187 634 HZ3 LYS 79 HZ3 LYS 79 -10.258 5.920 5.984 635 H THR 80 H THR 80 -3.706 10.472 5.693 636 HA THR 80 HA THR 80 -1.906 10.844 3.474 637 HB THR 80 HB THR 80 -1.039 10.429 6.335 638 HG1 THR 80 HG1 THR 80 -1.849 12.985 5.767 639 HG21 THR 80 HG21 THR 80 0.490 12.267 5.782 640 HG22 THR 80 HG22 THR 80 -0.324 12.487 4.216 641 HG23 THR 80 HG23 THR 80 0.593 11.000 4.554 642 H ILE 81 H ILE 81 -1.430 9.019 2.301 643 HA ILE 81 HA ILE 81 -1.798 6.386 3.235 644 HB ILE 81 HB ILE 81 0.003 7.176 0.921 645 HG12 ILE 81 HG12 ILE 81 -2.063 8.466 0.568 646 HG13 ILE 81 HG13 ILE 81 -1.880 7.175 -0.601 647 HG21 ILE 81 HG21 ILE 81 -0.989 5.016 0.032 648 HG22 ILE 81 HG22 ILE 81 0.027 4.849 1.482 649 HG23 ILE 81 HG23 ILE 81 -1.737 4.791 1.637 650 HD11 ILE 81 HD11 ILE 81 -4.209 7.449 0.208 651 HD12 ILE 81 HD12 ILE 81 -3.583 5.825 0.498 652 HD13 ILE 81 HD13 ILE 81 -3.698 6.982 1.845 653 H ASN 82 H ASN 82 -0.769 5.440 4.800 654 HA ASN 82 HA ASN 82 1.781 6.122 5.841 655 HB2 ASN 82 HB2 ASN 82 -0.433 4.936 6.781 656 HB3 ASN 82 HB3 ASN 82 0.467 3.488 6.319 657 HD21 ASN 82 HD21 ASN 82 -0.398 4.913 9.013 658 HD22 ASN 82 HD22 ASN 82 1.080 4.716 9.896 659 H VAL 83 H VAL 83 3.168 3.981 6.457 660 HA VAL 83 HA VAL 83 4.184 2.604 4.053 661 HB VAL 83 HB VAL 83 6.414 3.491 4.838 662 HG11 VAL 83 HG11 VAL 83 4.409 5.672 4.120 663 HG12 VAL 83 HG12 VAL 83 6.153 5.772 4.033 664 HG13 VAL 83 HG13 VAL 83 5.283 4.620 2.983 665 HG21 VAL 83 HG21 VAL 83 6.644 5.227 6.398 666 HG22 VAL 83 HG22 VAL 83 4.911 5.600 6.448 667 HG23 VAL 83 HG23 VAL 83 5.516 4.131 7.211 668 H GLU 84 H GLU 84 2.676 1.211 5.960 669 HA GLU 84 HA GLU 84 4.397 0.238 8.167 670 HB2 GLU 84 HB2 GLU 84 1.603 -0.415 7.146 671 HB3 GLU 84 HB3 GLU 84 2.365 -1.322 8.441 672 HG2 GLU 84 HG2 GLU 84 2.214 1.684 8.776 673 HG3 GLU 84 HG3 GLU 84 0.711 0.787 8.778 674 H PHE 85 H PHE 85 5.176 -2.031 8.273 675 HA PHE 85 HA PHE 85 5.368 -3.339 5.613 676 HB2 PHE 85 HB2 PHE 85 7.244 -3.006 7.582 677 HB3 PHE 85 HB3 PHE 85 6.623 -4.588 7.995 678 HD1 PHE 85 HD1 PHE 85 9.409 -4.211 7.465 679 HD2 PHE 85 HD2 PHE 85 6.269 -5.053 4.605 680 HE1 PHE 85 HE1 PHE 85 10.984 -5.505 6.089 681 HE2 PHE 85 HE2 PHE 85 7.838 -6.340 3.278 682 HZ PHE 85 HZ PHE 85 10.218 -6.582 3.979 683 H ALA 86 H ALA 86 4.517 -5.470 5.224 684 HA ALA 86 HA ALA 86 2.499 -6.536 6.965 685 HB1 ALA 86 HB1 ALA 86 2.728 -8.464 5.368 686 HB2 ALA 86 HB2 ALA 86 2.390 -6.913 4.604 687 HB3 ALA 86 HB3 ALA 86 4.041 -7.594 4.558 688 H LYS 87 H LYS 87 2.574 -8.400 8.251 689 HA LYS 87 HA LYS 87 5.052 -9.846 8.757 690 HB2 LYS 87 HB2 LYS 87 3.861 -7.843 10.681 691 HB3 LYS 87 HB3 LYS 87 4.312 -9.408 11.336 692 HG2 LYS 87 HG2 LYS 87 6.611 -9.163 10.420 693 HG3 LYS 87 HG3 LYS 87 6.182 -7.539 9.832 694 HD2 LYS 87 HD2 LYS 87 5.639 -6.867 12.160 695 HD3 LYS 87 HD3 LYS 87 6.130 -8.481 12.733 696 HE2 LYS 87 HE2 LYS 87 8.406 -8.138 11.940 697 HE3 LYS 87 HE3 LYS 87 7.942 -6.604 11.177 698 HZ1 LYS 87 HZ1 LYS 87 9.024 -6.265 13.267 699 HZ2 LYS 87 HZ2 LYS 87 7.859 -7.122 14.070 700 HZ3 LYS 87 HZ3 LYS 87 7.466 -5.705 13.327 701 H GLY 88 H GLY 88 4.609 -11.868 9.759 702 HA2 GLY 88 HA2 GLY 88 1.919 -12.865 9.292 703 HA3 GLY 88 HA3 GLY 88 3.319 -13.764 9.912 704 H SER 89 H SER 89 4.040 -12.646 12.192 705 HA SER 89 HA SER 89 1.667 -12.853 13.975 706 HB2 SER 89 HB2 SER 89 4.618 -13.254 14.589 707 HB3 SER 89 HB3 SER 89 3.257 -13.598 15.660 708 HG SER 89 HG SER 89 2.533 -15.157 14.139 Start of MODEL 13 1 H1 GLY 1 H GLY 1 11.914 -14.183 6.019 2 HA2 GLY 1 HA2 GLY 1 10.054 -12.963 6.948 3 HA3 GLY 1 HA3 GLY 1 11.160 -11.836 6.160 4 H HIS 2 H HIS 2 10.096 -12.838 3.312 5 HA HIS 2 HA HIS 2 8.491 -12.155 1.867 6 HB2 HIS 2 HB2 HIS 2 7.331 -13.868 3.515 7 HB3 HIS 2 HB3 HIS 2 6.431 -12.442 4.018 8 HD1 HIS 2 HD1 HIS 2 4.542 -14.480 2.935 9 HD2 HIS 2 HD2 HIS 2 6.827 -12.028 0.346 10 HE1 HIS 2 HE1 HIS 2 3.381 -14.504 0.708 11 H MET 3 H MET 3 9.762 -10.105 3.592 12 HA MET 3 HA MET 3 8.171 -7.930 4.226 13 HB2 MET 3 HB2 MET 3 10.847 -7.756 2.771 14 HB3 MET 3 HB3 MET 3 10.127 -6.546 3.820 15 HG2 MET 3 HG2 MET 3 10.376 -8.100 5.735 16 HG3 MET 3 HG3 MET 3 11.196 -9.252 4.678 17 HE1 MET 3 HE1 MET 3 12.101 -7.601 7.518 18 HE2 MET 3 HE2 MET 3 13.100 -8.948 6.888 19 HE3 MET 3 HE3 MET 3 13.829 -7.359 7.210 20 H ASP 4 H ASP 4 8.824 -9.209 1.081 21 HA ASP 4 HA ASP 4 8.443 -7.122 -0.743 22 HB2 ASP 4 HB2 ASP 4 8.278 -10.090 -0.661 23 HB3 ASP 4 HB3 ASP 4 7.083 -9.410 -1.739 24 H THR 5 H THR 5 6.251 -8.719 1.403 25 HA THR 5 HA THR 5 3.879 -7.526 0.099 26 HB THR 5 HB THR 5 3.742 -9.201 2.639 27 HG1 THR 5 HG1 THR 5 5.031 -10.484 1.589 28 HG21 THR 5 HG21 THR 5 1.696 -10.029 1.605 29 HG22 THR 5 HG22 THR 5 2.113 -9.271 0.052 30 HG23 THR 5 HG23 THR 5 1.696 -8.258 1.445 31 H ILE 6 H ILE 6 3.086 -5.598 0.800 32 HA ILE 6 HA ILE 6 3.606 -4.753 3.587 33 HB ILE 6 HB ILE 6 3.991 -2.776 1.319 34 HG12 ILE 6 HG12 ILE 6 6.111 -4.556 2.560 35 HG13 ILE 6 HG13 ILE 6 5.577 -4.491 0.884 36 HG21 ILE 6 HG21 ILE 6 3.599 -1.915 3.628 37 HG22 ILE 6 HG22 ILE 6 5.042 -2.803 4.183 38 HG23 ILE 6 HG23 ILE 6 5.187 -1.485 3.015 39 HD11 ILE 6 HD11 ILE 6 7.642 -3.363 0.937 40 HD12 ILE 6 HD12 ILE 6 6.398 -2.098 0.805 41 HD13 ILE 6 HD13 ILE 6 7.188 -2.433 2.379 42 H ILE 7 H ILE 7 2.182 -3.392 4.328 43 HA ILE 7 HA ILE 7 -0.565 -3.535 3.267 44 HB ILE 7 HB ILE 7 0.381 -3.065 6.102 45 HG12 ILE 7 HG12 ILE 7 -0.817 -5.487 4.722 46 HG13 ILE 7 HG13 ILE 7 0.783 -5.336 5.426 47 HG21 ILE 7 HG21 ILE 7 -1.961 -3.174 6.783 48 HG22 ILE 7 HG22 ILE 7 -1.668 -1.823 5.738 49 HG23 ILE 7 HG23 ILE 7 -2.461 -3.287 5.074 50 HD11 ILE 7 HD11 ILE 7 -1.851 -5.424 6.924 51 HD12 ILE 7 HD12 ILE 7 -0.551 -6.625 6.918 52 HD13 ILE 7 HD13 ILE 7 -0.281 -5.049 7.687 53 H LEU 8 H LEU 8 -0.968 -1.849 2.080 54 HA LEU 8 HA LEU 8 -0.194 0.889 2.834 55 HB2 LEU 8 HB2 LEU 8 -2.198 0.044 0.725 56 HB3 LEU 8 HB3 LEU 8 -1.565 1.644 1.019 57 HG LEU 8 HG LEU 8 -0.342 -0.705 -0.311 58 HD11 LEU 8 HD11 LEU 8 -0.402 2.255 -0.990 59 HD12 LEU 8 HD12 LEU 8 -1.415 0.985 -1.681 60 HD13 LEU 8 HD13 LEU 8 0.323 1.006 -1.995 61 HD21 LEU 8 HD21 LEU 8 1.342 1.433 1.030 62 HD22 LEU 8 HD22 LEU 8 1.918 0.464 -0.342 63 HD23 LEU 8 HD23 LEU 8 1.485 -0.348 1.148 64 H ARG 9 H ARG 9 -1.049 0.720 5.053 65 HA ARG 9 HA ARG 9 -3.857 0.379 5.585 66 HB2 ARG 9 HB2 ARG 9 -1.571 0.691 7.142 67 HB3 ARG 9 HB3 ARG 9 -2.271 2.325 7.191 68 HG2 ARG 9 HG2 ARG 9 -4.464 1.153 7.881 69 HG3 ARG 9 HG3 ARG 9 -3.386 -0.223 8.178 70 HD2 ARG 9 HD2 ARG 9 -2.193 0.974 9.892 71 HD3 ARG 9 HD3 ARG 9 -2.787 2.550 9.316 72 HE ARG 9 HE ARG 9 -4.956 2.058 10.147 73 HH11 ARG 9 HH11 ARG 9 -2.303 0.459 11.844 74 HH12 ARG 9 HH12 ARG 9 -3.307 -0.310 13.012 75 HH21 ARG 9 HH21 ARG 9 -6.279 1.210 11.842 76 HH22 ARG 9 HH22 ARG 9 -5.606 0.098 12.995 77 H ASN 10 H ASN 10 -5.060 2.454 6.541 78 HA ASN 10 HA ASN 10 -6.058 4.458 6.198 79 HB2 ASN 10 HB2 ASN 10 -3.161 4.978 5.826 80 HB3 ASN 10 HB3 ASN 10 -4.189 6.184 5.106 81 HD21 ASN 10 HD21 ASN 10 -2.434 6.716 6.911 82 HD22 ASN 10 HD22 ASN 10 -3.091 7.291 8.431 83 H LEU 11 H LEU 11 -5.999 2.405 4.115 84 HA LEU 11 HA LEU 11 -6.116 3.798 1.584 85 HB2 LEU 11 HB2 LEU 11 -5.868 1.126 2.462 86 HB3 LEU 11 HB3 LEU 11 -7.452 1.139 1.722 87 HG LEU 11 HG LEU 11 -5.672 0.421 0.227 88 HD11 LEU 11 HD11 LEU 11 -7.659 1.390 -0.740 89 HD12 LEU 11 HD12 LEU 11 -6.243 1.806 -1.724 90 HD13 LEU 11 HD13 LEU 11 -6.936 3.012 -0.625 91 HD21 LEU 11 HD21 LEU 11 -4.580 3.248 0.235 92 HD22 LEU 11 HD22 LEU 11 -3.909 1.828 -0.579 93 HD23 LEU 11 HD23 LEU 11 -3.887 1.944 1.188 94 H ASN 12 H ASN 12 -7.585 5.426 1.710 95 HA ASN 12 HA ASN 12 -9.914 5.608 3.153 96 HB2 ASN 12 HB2 ASN 12 -8.548 7.382 1.729 97 HB3 ASN 12 HB3 ASN 12 -9.638 6.932 0.440 98 HD21 ASN 12 HD21 ASN 12 -11.093 8.636 0.281 99 HD22 ASN 12 HD22 ASN 12 -12.019 9.260 1.619 100 HA PRO 13 HA PRO 13 -12.541 2.767 1.401 101 HB2 PRO 13 HB2 PRO 13 -15.145 3.853 1.565 102 HB3 PRO 13 HB3 PRO 13 -14.251 2.939 2.816 103 HG2 PRO 13 HG2 PRO 13 -14.604 5.897 2.490 104 HG3 PRO 13 HG3 PRO 13 -14.452 4.940 3.999 105 HD2 PRO 13 HD2 PRO 13 -12.439 6.441 2.962 106 HD3 PRO 13 HD3 PRO 13 -12.083 4.939 3.843 107 H HIS 14 H HIS 14 -12.783 5.852 -0.191 108 HA HIS 14 HA HIS 14 -14.047 4.599 -2.588 109 HB2 HIS 14 HB2 HIS 14 -13.501 7.501 -1.945 110 HB3 HIS 14 HB3 HIS 14 -14.283 6.919 -3.386 111 HD1 HIS 14 HD1 HIS 14 -16.180 8.772 -2.450 112 HD2 HIS 14 HD2 HIS 14 -15.716 5.108 -0.381 113 HE1 HIS 14 HE1 HIS 14 -18.256 8.461 -0.996 114 H SER 15 H SER 15 -10.827 5.385 -1.424 115 HA SER 15 HA SER 15 -9.905 6.775 -3.705 116 HB2 SER 15 HB2 SER 15 -7.650 6.269 -2.819 117 HB3 SER 15 HB3 SER 15 -8.745 6.863 -1.557 118 HG SER 15 HG SER 15 -8.079 4.160 -2.045 119 H THR 16 H THR 16 -8.424 6.087 -5.288 120 HA THR 16 HA THR 16 -8.898 3.309 -6.232 121 HB THR 16 HB THR 16 -9.653 4.651 -7.927 122 HG1 THR 16 HG1 THR 16 -7.988 3.318 -8.732 123 HG21 THR 16 HG21 THR 16 -9.208 6.866 -7.153 124 HG22 THR 16 HG22 THR 16 -8.482 6.727 -8.750 125 HG23 THR 16 HG23 THR 16 -7.443 6.647 -7.307 126 H MET 17 H MET 17 -7.278 1.908 -6.138 127 HA MET 17 HA MET 17 -4.736 2.275 -4.906 128 HB2 MET 17 HB2 MET 17 -5.725 0.069 -5.361 129 HB3 MET 17 HB3 MET 17 -5.440 0.376 -7.105 130 HG2 MET 17 HG2 MET 17 -3.619 -0.911 -6.111 131 HG3 MET 17 HG3 MET 17 -3.168 0.580 -6.877 132 HE1 MET 17 HE1 MET 17 -4.795 0.858 -3.204 133 HE2 MET 17 HE2 MET 17 -4.230 -0.816 -3.319 134 HE3 MET 17 HE3 MET 17 -3.434 0.313 -2.212 135 H ASP 18 H ASP 18 -5.732 2.203 -8.284 136 HA ASP 18 HA ASP 18 -3.395 2.357 -9.594 137 HB2 ASP 18 HB2 ASP 18 -5.759 2.136 -10.486 138 HB3 ASP 18 HB3 ASP 18 -5.878 3.896 -10.476 139 H SER 19 H SER 19 -5.096 5.174 -8.247 140 HA SER 19 HA SER 19 -3.108 7.082 -9.269 141 HB2 SER 19 HB2 SER 19 -5.376 7.461 -7.268 142 HB3 SER 19 HB3 SER 19 -4.436 8.723 -8.071 143 HG SER 19 HG SER 19 -5.349 7.195 -10.013 144 H ILE 20 H ILE 20 -3.831 5.402 -6.157 145 HA ILE 20 HA ILE 20 -1.867 6.737 -4.561 146 HB ILE 20 HB ILE 20 -2.952 3.934 -4.410 147 HG12 ILE 20 HG12 ILE 20 -3.663 6.250 -2.627 148 HG13 ILE 20 HG13 ILE 20 -4.554 5.953 -4.107 149 HG21 ILE 20 HG21 ILE 20 -2.083 4.017 -2.008 150 HG22 ILE 20 HG22 ILE 20 -0.862 3.868 -3.268 151 HG23 ILE 20 HG23 ILE 20 -1.139 5.441 -2.520 152 HD11 ILE 20 HD11 ILE 20 -5.281 3.771 -3.336 153 HD12 ILE 20 HD12 ILE 20 -4.275 3.910 -1.886 154 HD13 ILE 20 HD13 ILE 20 -5.648 4.998 -2.108 155 H LEU 21 H LEU 21 -1.575 3.814 -6.675 156 HA LEU 21 HA LEU 21 1.319 3.661 -6.383 157 HB2 LEU 21 HB2 LEU 21 -0.397 2.856 -8.770 158 HB3 LEU 21 HB3 LEU 21 1.254 2.333 -8.446 159 HG LEU 21 HG LEU 21 -1.157 1.681 -6.719 160 HD11 LEU 21 HD11 LEU 21 -1.075 -0.531 -7.716 161 HD12 LEU 21 HD12 LEU 21 0.348 -0.068 -8.681 162 HD13 LEU 21 HD13 LEU 21 -1.239 0.684 -8.984 163 HD21 LEU 21 HD21 LEU 21 0.950 1.632 -5.422 164 HD22 LEU 21 HD22 LEU 21 1.669 0.546 -6.631 165 HD23 LEU 21 HD23 LEU 21 0.288 0.015 -5.642 166 H GLY 22 H GLY 22 -0.589 5.077 -9.120 167 HA2 GLY 22 HA2 GLY 22 1.898 5.748 -10.296 168 HA3 GLY 22 HA3 GLY 22 0.291 6.247 -10.902 169 H ALA 23 H ALA 23 -0.121 7.643 -8.107 170 HA ALA 23 HA ALA 23 0.890 10.228 -8.629 171 HB1 ALA 23 HB1 ALA 23 -0.929 9.895 -7.069 172 HB2 ALA 23 HB2 ALA 23 0.131 8.925 -6.005 173 HB3 ALA 23 HB3 ALA 23 0.452 10.655 -6.245 174 H LEU 24 H LEU 24 2.536 7.391 -7.354 175 HA LEU 24 HA LEU 24 4.806 9.131 -6.576 176 HB2 LEU 24 HB2 LEU 24 3.025 7.574 -4.870 177 HB3 LEU 24 HB3 LEU 24 4.624 6.877 -4.771 178 HG LEU 24 HG LEU 24 4.161 8.566 -3.037 179 HD11 LEU 24 HD11 LEU 24 6.303 9.809 -3.305 180 HD12 LEU 24 HD12 LEU 24 6.426 9.186 -4.963 181 HD13 LEU 24 HD13 LEU 24 6.441 8.068 -3.581 182 HD21 LEU 24 HD21 LEU 24 4.074 10.927 -3.515 183 HD22 LEU 24 HD22 LEU 24 2.802 10.142 -4.464 184 HD23 LEU 24 HD23 LEU 24 4.318 10.680 -5.214 185 H ALA 25 H ALA 25 4.181 5.634 -6.716 186 HA ALA 25 HA ALA 25 5.834 3.968 -7.073 187 HB1 ALA 25 HB1 ALA 25 5.094 5.341 -9.660 188 HB2 ALA 25 HB2 ALA 25 5.673 3.661 -9.508 189 HB3 ALA 25 HB3 ALA 25 4.119 4.141 -8.767 190 HA PRO 26 HA PRO 26 9.469 6.723 -7.621 191 HB2 PRO 26 HB2 PRO 26 10.691 6.446 -5.145 192 HB3 PRO 26 HB3 PRO 26 9.482 7.697 -5.571 193 HG2 PRO 26 HG2 PRO 26 9.114 5.193 -3.975 194 HG3 PRO 26 HG3 PRO 26 8.284 6.745 -3.823 195 HD2 PRO 26 HD2 PRO 26 7.294 4.440 -5.084 196 HD3 PRO 26 HD3 PRO 26 6.679 6.087 -5.352 197 H TYR 27 H TYR 27 9.111 3.406 -6.797 198 HA TYR 27 HA TYR 27 11.723 2.699 -7.936 199 HB2 TYR 27 HB2 TYR 27 10.580 1.652 -5.326 200 HB3 TYR 27 HB3 TYR 27 11.983 1.016 -6.147 201 HD1 TYR 27 HD1 TYR 27 10.628 3.775 -4.208 202 HD2 TYR 27 HD2 TYR 27 14.163 2.138 -6.027 203 HE1 TYR 27 HE1 TYR 27 12.013 5.446 -3.018 204 HE2 TYR 27 HE2 TYR 27 15.573 3.782 -4.819 205 HH TYR 27 HH TYR 27 14.159 6.525 -3.206 206 H ALA 28 H ALA 28 8.704 1.426 -6.465 207 HA ALA 28 HA ALA 28 8.860 -1.081 -7.684 208 HB1 ALA 28 HB1 ALA 28 7.606 -0.507 -5.589 209 HB2 ALA 28 HB2 ALA 28 6.375 0.268 -6.609 210 HB3 ALA 28 HB3 ALA 28 6.668 -1.483 -6.741 211 H VAL 29 H VAL 29 7.741 -2.088 -9.388 212 HA VAL 29 HA VAL 29 6.787 -0.125 -11.442 213 HB VAL 29 HB VAL 29 8.103 -2.720 -12.165 214 HG11 VAL 29 HG11 VAL 29 8.591 -1.481 -14.206 215 HG12 VAL 29 HG12 VAL 29 6.860 -1.234 -13.797 216 HG13 VAL 29 HG13 VAL 29 8.022 0.033 -13.444 217 HG21 VAL 29 HG21 VAL 29 10.266 -1.526 -12.390 218 HG22 VAL 29 HG22 VAL 29 9.573 -0.160 -11.480 219 HG23 VAL 29 HG23 VAL 29 9.784 -1.747 -10.698 220 H LEU 30 H LEU 30 4.796 -0.698 -10.098 221 HA LEU 30 HA LEU 30 3.370 -3.103 -11.185 222 HB2 LEU 30 HB2 LEU 30 2.338 -2.099 -8.627 223 HB3 LEU 30 HB3 LEU 30 2.613 -3.740 -9.159 224 HG LEU 30 HG LEU 30 4.751 -1.844 -8.127 225 HD11 LEU 30 HD11 LEU 30 3.053 -2.231 -6.430 226 HD12 LEU 30 HD12 LEU 30 4.561 -3.067 -5.995 227 HD13 LEU 30 HD13 LEU 30 3.189 -3.992 -6.640 228 HD21 LEU 30 HD21 LEU 30 5.520 -3.929 -9.495 229 HD22 LEU 30 HD22 LEU 30 4.937 -4.892 -8.119 230 HD23 LEU 30 HD23 LEU 30 6.217 -3.706 -7.892 231 H SER 31 H SER 31 1.134 -2.990 -11.322 232 HA SER 31 HA SER 31 -0.411 -0.646 -10.669 233 HB2 SER 31 HB2 SER 31 -0.090 -1.345 -13.606 234 HB3 SER 31 HB3 SER 31 -1.482 -0.470 -12.950 235 HG SER 31 HG SER 31 -0.253 1.244 -12.469 236 H SER 32 H SER 32 -2.160 -1.462 -9.895 237 HA SER 32 HA SER 32 -3.891 -2.708 -9.316 238 HB2 SER 32 HB2 SER 32 -4.227 -1.985 -11.742 239 HB3 SER 32 HB3 SER 32 -3.837 -3.653 -12.179 240 HG SER 32 HG SER 32 -5.628 -4.335 -11.302 241 H SER 33 H SER 33 -2.203 -4.973 -11.543 242 HA SER 33 HA SER 33 -3.486 -7.252 -10.625 243 HB2 SER 33 HB2 SER 33 -0.701 -7.077 -11.868 244 HB3 SER 33 HB3 SER 33 -1.825 -8.444 -11.923 245 HG SER 33 HG SER 33 -1.838 -6.067 -13.372 246 H ASN 34 H ASN 34 -0.306 -5.972 -9.595 247 HA ASN 34 HA ASN 34 0.211 -8.150 -7.729 248 HB2 ASN 34 HB2 ASN 34 1.383 -5.379 -8.087 249 HB3 ASN 34 HB3 ASN 34 1.793 -6.330 -6.667 250 HD21 ASN 34 HD21 ASN 34 3.225 -5.549 -9.390 251 HD22 ASN 34 HD22 ASN 34 4.072 -7.036 -9.680 252 H VAL 35 H VAL 35 -2.012 -5.562 -7.538 253 HA VAL 35 HA VAL 35 -1.669 -5.270 -4.620 254 HB VAL 35 HB VAL 35 -2.966 -3.387 -6.632 255 HG11 VAL 35 HG11 VAL 35 -2.429 -1.813 -4.548 256 HG12 VAL 35 HG12 VAL 35 -3.941 -2.689 -4.651 257 HG13 VAL 35 HG13 VAL 35 -2.610 -3.283 -3.626 258 HG21 VAL 35 HG21 VAL 35 -0.170 -3.503 -5.432 259 HG22 VAL 35 HG22 VAL 35 -0.636 -3.434 -7.142 260 HG23 VAL 35 HG23 VAL 35 -0.856 -2.020 -6.113 261 H ARG 36 H ARG 36 -3.306 -5.556 -3.212 262 HA ARG 36 HA ARG 36 -6.055 -5.916 -4.298 263 HB2 ARG 36 HB2 ARG 36 -4.871 -8.158 -3.966 264 HB3 ARG 36 HB3 ARG 36 -4.827 -7.808 -2.250 265 HG2 ARG 36 HG2 ARG 36 -6.669 -9.296 -2.913 266 HG3 ARG 36 HG3 ARG 36 -7.291 -7.808 -2.159 267 HD2 ARG 36 HD2 ARG 36 -8.125 -6.982 -4.205 268 HD3 ARG 36 HD3 ARG 36 -6.986 -7.960 -5.158 269 HE ARG 36 HE ARG 36 -9.041 -9.412 -3.624 270 HH11 ARG 36 HH11 ARG 36 -7.998 -8.249 -6.880 271 HH12 ARG 36 HH12 ARG 36 -9.056 -9.351 -7.678 272 HH21 ARG 36 HH21 ARG 36 -10.067 -11.086 -4.802 273 HH22 ARG 36 HH22 ARG 36 -10.170 -10.959 -6.526 274 H VAL 37 H VAL 37 -7.094 -4.292 -3.490 275 HA VAL 37 HA VAL 37 -6.805 -3.362 -0.737 276 HB VAL 37 HB VAL 37 -9.074 -2.939 -2.728 277 HG11 VAL 37 HG11 VAL 37 -9.804 -1.274 -1.132 278 HG12 VAL 37 HG12 VAL 37 -9.699 -2.781 -0.294 279 HG13 VAL 37 HG13 VAL 37 -8.410 -1.564 -0.071 280 HG21 VAL 37 HG21 VAL 37 -8.315 -0.508 -2.686 281 HG22 VAL 37 HG22 VAL 37 -6.824 -1.032 -1.949 282 HG23 VAL 37 HG23 VAL 37 -7.231 -1.618 -3.579 283 H ILE 38 H ILE 38 -7.765 -4.405 0.903 284 HA ILE 38 HA ILE 38 -9.355 -6.825 0.446 285 HB ILE 38 HB ILE 38 -8.894 -5.297 3.036 286 HG12 ILE 38 HG12 ILE 38 -6.679 -5.711 2.343 287 HG13 ILE 38 HG13 ILE 38 -7.068 -6.981 3.489 288 HG21 ILE 38 HG21 ILE 38 -9.364 -7.451 4.106 289 HG22 ILE 38 HG22 ILE 38 -10.708 -6.983 3.051 290 HG23 ILE 38 HG23 ILE 38 -9.559 -8.225 2.523 291 HD11 ILE 38 HD11 ILE 38 -7.433 -8.561 1.569 292 HD12 ILE 38 HD12 ILE 38 -6.902 -7.271 0.453 293 HD13 ILE 38 HD13 ILE 38 -5.792 -7.897 1.678 294 H LYS 39 H LYS 39 -10.893 -5.879 -0.939 295 HA LYS 39 HA LYS 39 -12.564 -3.618 -0.164 296 HB2 LYS 39 HB2 LYS 39 -12.916 -5.741 -2.330 297 HB3 LYS 39 HB3 LYS 39 -13.861 -4.265 -2.195 298 HG2 LYS 39 HG2 LYS 39 -10.937 -4.106 -2.498 299 HG3 LYS 39 HG3 LYS 39 -11.934 -4.335 -3.903 300 HD2 LYS 39 HD2 LYS 39 -12.587 -2.103 -1.965 301 HD3 LYS 39 HD3 LYS 39 -11.294 -1.901 -3.165 302 HE2 LYS 39 HE2 LYS 39 -12.789 -2.301 -5.008 303 HE3 LYS 39 HE3 LYS 39 -14.096 -2.794 -3.922 304 HZ1 LYS 39 HZ1 LYS 39 -14.315 -0.593 -3.161 305 HZ2 LYS 39 HZ2 LYS 39 -14.366 -0.578 -4.772 306 HZ3 LYS 39 HZ3 LYS 39 -13.002 -0.034 -4.013 307 H ASP 40 H ASP 40 -14.789 -3.691 0.573 308 HA ASP 40 HA ASP 40 -15.077 -5.926 2.353 309 HB2 ASP 40 HB2 ASP 40 -15.658 -3.514 2.872 310 HB3 ASP 40 HB3 ASP 40 -17.144 -3.757 1.907 311 H LYS 41 H LYS 41 -17.375 -6.901 2.787 312 HA LYS 41 HA LYS 41 -18.590 -7.943 0.253 313 HB2 LYS 41 HB2 LYS 41 -19.752 -9.470 1.781 314 HB3 LYS 41 HB3 LYS 41 -17.994 -9.752 1.751 315 HG2 LYS 41 HG2 LYS 41 -17.924 -8.507 3.979 316 HG3 LYS 41 HG3 LYS 41 -19.683 -8.353 3.850 317 HD2 LYS 41 HD2 LYS 41 -19.216 -10.115 5.369 318 HD3 LYS 41 HD3 LYS 41 -19.916 -10.829 3.903 319 HE2 LYS 41 HE2 LYS 41 -17.736 -11.550 3.121 320 HE3 LYS 41 HE3 LYS 41 -16.915 -10.601 4.365 321 HZ1 LYS 41 HZ1 LYS 41 -16.965 -12.922 4.887 322 HZ2 LYS 41 HZ2 LYS 41 -18.587 -12.964 4.930 323 HZ3 LYS 41 HZ3 LYS 41 -17.804 -12.054 6.043 324 H GLN 42 H GLN 42 -19.284 -6.103 3.128 325 HA GLN 42 HA GLN 42 -22.197 -6.058 2.610 326 HB2 GLN 42 HB2 GLN 42 -20.628 -4.391 4.642 327 HB3 GLN 42 HB3 GLN 42 -22.347 -4.347 4.364 328 HG2 GLN 42 HG2 GLN 42 -22.256 -5.716 6.183 329 HG3 GLN 42 HG3 GLN 42 -22.423 -6.855 4.864 330 HE21 GLN 42 HE21 GLN 42 -19.116 -5.554 5.203 331 HE22 GLN 42 HE22 GLN 42 -18.532 -6.901 6.159 332 H THR 43 H THR 43 -19.589 -3.551 2.627 333 HA THR 43 HA THR 43 -21.369 -1.970 0.855 334 HB THR 43 HB THR 43 -20.735 -0.963 2.966 335 HG1 THR 43 HG1 THR 43 -20.298 0.947 2.192 336 HG21 THR 43 HG21 THR 43 -18.448 -0.193 3.397 337 HG22 THR 43 HG22 THR 43 -17.869 -1.124 1.998 338 HG23 THR 43 HG23 THR 43 -18.550 -1.953 3.400 339 H GLN 44 H GLN 44 -18.530 -3.911 0.434 340 HA GLN 44 HA GLN 44 -16.970 -4.139 -1.141 341 HB2 GLN 44 HB2 GLN 44 -19.098 -2.930 -2.941 342 HB3 GLN 44 HB3 GLN 44 -17.572 -3.593 -3.492 343 HG2 GLN 44 HG2 GLN 44 -18.719 -5.455 -3.763 344 HG3 GLN 44 HG3 GLN 44 -18.353 -5.745 -2.095 345 HE21 GLN 44 HE21 GLN 44 -20.155 -4.967 -0.477 346 HE22 GLN 44 HE22 GLN 44 -21.782 -5.239 -0.987 347 H LEU 45 H LEU 45 -17.226 -1.421 0.324 348 HA LEU 45 HA LEU 45 -15.413 0.218 -1.299 349 HB2 LEU 45 HB2 LEU 45 -16.394 0.491 1.571 350 HB3 LEU 45 HB3 LEU 45 -15.447 1.685 0.708 351 HG LEU 45 HG LEU 45 -18.213 0.754 -0.159 352 HD11 LEU 45 HD11 LEU 45 -17.400 3.333 1.236 353 HD12 LEU 45 HD12 LEU 45 -18.353 1.975 1.931 354 HD13 LEU 45 HD13 LEU 45 -19.007 2.922 0.606 355 HD21 LEU 45 HD21 LEU 45 -16.992 1.433 -2.070 356 HD22 LEU 45 HD22 LEU 45 -16.319 2.858 -1.234 357 HD23 LEU 45 HD23 LEU 45 -18.058 2.774 -1.644 358 H ASN 46 H ASN 46 -13.411 1.051 -0.053 359 HA ASN 46 HA ASN 46 -11.709 -1.259 0.452 360 HB2 ASN 46 HB2 ASN 46 -10.949 1.622 0.977 361 HB3 ASN 46 HB3 ASN 46 -9.901 0.285 0.680 362 HD21 ASN 46 HD21 ASN 46 -9.686 2.700 -0.732 363 HD22 ASN 46 HD22 ASN 46 -10.113 2.510 -2.391 364 H ARG 47 H ARG 47 -11.651 -2.230 2.488 365 HA ARG 47 HA ARG 47 -12.919 -1.321 4.900 366 HB2 ARG 47 HB2 ARG 47 -10.573 -3.219 4.519 367 HB3 ARG 47 HB3 ARG 47 -11.352 -2.915 6.054 368 HG2 ARG 47 HG2 ARG 47 -13.493 -3.851 5.157 369 HG3 ARG 47 HG3 ARG 47 -12.635 -4.292 3.661 370 HD2 ARG 47 HD2 ARG 47 -10.885 -5.420 5.159 371 HD3 ARG 47 HD3 ARG 47 -11.980 -5.155 6.521 372 HE ARG 47 HE ARG 47 -13.320 -6.586 4.423 373 HH11 ARG 47 HH11 ARG 47 -11.199 -7.026 7.218 374 HH12 ARG 47 HH12 ARG 47 -11.043 -8.731 7.051 375 HH21 ARG 47 HH21 ARG 47 -13.371 -8.866 4.360 376 HH22 ARG 47 HH22 ARG 47 -12.476 -9.815 5.504 377 H GLY 48 H GLY 48 -9.716 -0.647 3.591 378 HA2 GLY 48 HA2 GLY 48 -8.945 1.662 4.440 379 HA3 GLY 48 HA3 GLY 48 -8.996 0.947 6.018 380 H PHE 49 H PHE 49 -7.995 -1.343 3.627 381 HA PHE 49 HA PHE 49 -5.178 -0.673 3.841 382 HB2 PHE 49 HB2 PHE 49 -4.731 -3.069 4.764 383 HB3 PHE 49 HB3 PHE 49 -5.074 -1.735 5.831 384 HD1 PHE 49 HD1 PHE 49 -6.289 -4.920 4.529 385 HD2 PHE 49 HD2 PHE 49 -7.236 -1.576 7.060 386 HE1 PHE 49 HE1 PHE 49 -8.086 -6.260 5.631 387 HE2 PHE 49 HE2 PHE 49 -9.023 -2.889 8.138 388 HZ PHE 49 HZ PHE 49 -9.451 -5.236 7.445 389 H ALA 50 H ALA 50 -3.883 -1.692 2.284 390 HA ALA 50 HA ALA 50 -5.117 -3.781 0.597 391 HB1 ALA 50 HB1 ALA 50 -4.172 -2.720 -1.420 392 HB2 ALA 50 HB2 ALA 50 -5.282 -1.594 -0.609 393 HB3 ALA 50 HB3 ALA 50 -3.528 -1.387 -0.447 394 H PHE 51 H PHE 51 -3.552 -5.122 -0.435 395 HA PHE 51 HA PHE 51 -0.892 -5.226 0.913 396 HB2 PHE 51 HB2 PHE 51 -2.655 -7.232 -0.531 397 HB3 PHE 51 HB3 PHE 51 -0.923 -7.452 -0.430 398 HD1 PHE 51 HD1 PHE 51 -0.491 -9.237 0.941 399 HD2 PHE 51 HD2 PHE 51 -3.340 -6.270 2.250 400 HE1 PHE 51 HE1 PHE 51 -0.554 -10.267 3.196 401 HE2 PHE 51 HE2 PHE 51 -3.492 -7.401 4.436 402 HZ PHE 51 HZ PHE 51 -2.096 -9.419 4.907 403 H ILE 52 H ILE 52 0.851 -4.740 -0.305 404 HA ILE 52 HA ILE 52 0.690 -4.629 -3.287 405 HB ILE 52 HB ILE 52 2.786 -3.600 -1.316 406 HG12 ILE 52 HG12 ILE 52 0.777 -2.344 -1.004 407 HG13 ILE 52 HG13 ILE 52 1.954 -1.336 -1.834 408 HG21 ILE 52 HG21 ILE 52 3.916 -3.891 -3.409 409 HG22 ILE 52 HG22 ILE 52 2.556 -3.154 -4.299 410 HG23 ILE 52 HG23 ILE 52 3.579 -2.182 -3.217 411 HD11 ILE 52 HD11 ILE 52 -0.316 -1.030 -2.780 412 HD12 ILE 52 HD12 ILE 52 0.788 -1.679 -3.993 413 HD13 ILE 52 HD13 ILE 52 -0.398 -2.732 -3.180 414 H GLN 53 H GLN 53 2.738 -5.600 -4.460 415 HA GLN 53 HA GLN 53 4.280 -7.306 -2.752 416 HB2 GLN 53 HB2 GLN 53 2.654 -8.778 -4.167 417 HB3 GLN 53 HB3 GLN 53 3.596 -8.212 -5.559 418 HG2 GLN 53 HG2 GLN 53 4.812 -10.108 -5.039 419 HG3 GLN 53 HG3 GLN 53 5.659 -8.948 -4.004 420 HE21 GLN 53 HE21 GLN 53 4.705 -8.755 -1.679 421 HE22 GLN 53 HE22 GLN 53 4.260 -10.257 -0.914 422 H LEU 54 H LEU 54 6.257 -6.440 -2.870 423 HA LEU 54 HA LEU 54 6.999 -4.379 -4.744 424 HB2 LEU 54 HB2 LEU 54 7.979 -5.632 -2.226 425 HB3 LEU 54 HB3 LEU 54 9.292 -5.248 -3.306 426 HG LEU 54 HG LEU 54 8.926 -3.473 -1.735 427 HD11 LEU 54 HD11 LEU 54 9.759 -2.916 -4.017 428 HD12 LEU 54 HD12 LEU 54 8.902 -1.593 -3.235 429 HD13 LEU 54 HD13 LEU 54 8.102 -2.527 -4.506 430 HD21 LEU 54 HD21 LEU 54 6.172 -3.041 -2.940 431 HD22 LEU 54 HD22 LEU 54 6.918 -2.137 -1.614 432 HD23 LEU 54 HD23 LEU 54 6.472 -3.844 -1.392 433 H SER 55 H SER 55 9.386 -4.591 -5.693 434 HA SER 55 HA SER 55 9.498 -6.957 -7.333 435 HB2 SER 55 HB2 SER 55 10.943 -4.437 -7.187 436 HB3 SER 55 HB3 SER 55 12.032 -5.807 -7.484 437 HG SER 55 HG SER 55 10.945 -6.363 -9.230 438 H THR 56 H THR 56 11.214 -5.989 -4.257 439 HA THR 56 HA THR 56 11.640 -8.797 -3.819 440 HB THR 56 HB THR 56 14.047 -8.530 -3.154 441 HG1 THR 56 HG1 THR 56 13.889 -6.172 -4.723 442 HG21 THR 56 HG21 THR 56 13.351 -9.659 -5.267 443 HG22 THR 56 HG22 THR 56 14.993 -9.045 -5.230 444 HG23 THR 56 HG23 THR 56 13.748 -8.160 -6.139 445 H ILE 57 H ILE 57 11.961 -9.330 -1.695 446 HA ILE 57 HA ILE 57 11.151 -7.889 0.454 447 HB ILE 57 HB ILE 57 12.342 -9.448 1.868 448 HG12 ILE 57 HG12 ILE 57 13.352 -11.319 0.081 449 HG13 ILE 57 HG13 ILE 57 14.025 -9.844 -0.538 450 HG21 ILE 57 HG21 ILE 57 10.186 -10.096 0.887 451 HG22 ILE 57 HG22 ILE 57 11.001 -10.735 -0.547 452 HG23 ILE 57 HG23 ILE 57 11.222 -11.487 1.026 453 HD11 ILE 57 HD11 ILE 57 15.580 -10.792 1.057 454 HD12 ILE 57 HD12 ILE 57 14.904 -9.313 1.771 455 HD13 ILE 57 HD13 ILE 57 14.319 -10.911 2.295 456 H VAL 58 H VAL 58 14.270 -7.641 -1.038 457 HA VAL 58 HA VAL 58 15.581 -6.241 1.160 458 HB VAL 58 HB VAL 58 16.423 -6.407 -1.755 459 HG11 VAL 58 HG11 VAL 58 18.709 -6.140 -0.871 460 HG12 VAL 58 HG12 VAL 58 17.700 -4.765 -0.427 461 HG13 VAL 58 HG13 VAL 58 18.064 -6.017 0.779 462 HG21 VAL 58 HG21 VAL 58 16.135 -8.701 -1.044 463 HG22 VAL 58 HG22 VAL 58 17.857 -8.354 -0.980 464 HG23 VAL 58 HG23 VAL 58 16.924 -8.378 0.518 465 H GLU 59 H GLU 59 14.099 -5.372 -1.997 466 HA GLU 59 HA GLU 59 14.372 -2.556 -1.957 467 HB2 GLU 59 HB2 GLU 59 13.009 -4.609 -3.461 468 HB3 GLU 59 HB3 GLU 59 11.837 -3.367 -3.068 469 HG2 GLU 59 HG2 GLU 59 13.195 -1.645 -4.089 470 HG3 GLU 59 HG3 GLU 59 14.552 -2.778 -4.275 471 H ALA 60 H ALA 60 11.811 -4.699 -0.794 472 HA ALA 60 HA ALA 60 9.911 -3.004 0.247 473 HB1 ALA 60 HB1 ALA 60 10.921 -5.492 1.627 474 HB2 ALA 60 HB2 ALA 60 9.334 -4.717 1.733 475 HB3 ALA 60 HB3 ALA 60 9.832 -5.467 0.213 476 H ALA 61 H ALA 61 12.768 -4.125 2.122 477 HA ALA 61 HA ALA 61 12.224 -2.327 4.325 478 HB1 ALA 61 HB1 ALA 61 13.292 -4.465 4.693 479 HB2 ALA 61 HB2 ALA 61 14.647 -4.020 3.626 480 HB3 ALA 61 HB3 ALA 61 14.396 -3.157 5.160 481 H GLN 62 H GLN 62 13.892 -1.772 1.292 482 HA GLN 62 HA GLN 62 15.443 0.509 2.277 483 HB2 GLN 62 HB2 GLN 62 14.906 -0.568 -0.430 484 HB3 GLN 62 HB3 GLN 62 15.498 1.074 -0.211 485 HG2 GLN 62 HG2 GLN 62 17.496 0.446 0.784 486 HG3 GLN 62 HG3 GLN 62 16.869 -1.090 1.375 487 HE21 GLN 62 HE21 GLN 62 16.069 -2.586 -0.431 488 HE22 GLN 62 HE22 GLN 62 16.651 -2.250 -2.022 489 H LEU 63 H LEU 63 12.613 0.064 0.120 490 HA LEU 63 HA LEU 63 11.733 2.716 0.022 491 HB2 LEU 63 HB2 LEU 63 10.319 0.053 -0.308 492 HB3 LEU 63 HB3 LEU 63 9.417 1.559 -0.309 493 HG LEU 63 HG LEU 63 10.987 2.344 -2.181 494 HD11 LEU 63 HD11 LEU 63 12.662 0.532 -2.004 495 HD12 LEU 63 HD12 LEU 63 11.912 0.536 -3.591 496 HD13 LEU 63 HD13 LEU 63 11.405 -0.669 -2.400 497 HD21 LEU 63 HD21 LEU 63 9.497 0.718 -3.763 498 HD22 LEU 63 HD22 LEU 63 8.805 2.070 -2.846 499 HD23 LEU 63 HD23 LEU 63 8.690 0.414 -2.228 500 H LEU 64 H LEU 64 10.966 0.207 2.441 501 HA LEU 64 HA LEU 64 8.693 1.279 3.512 502 HB2 LEU 64 HB2 LEU 64 9.484 -0.933 4.022 503 HB3 LEU 64 HB3 LEU 64 10.981 -0.341 4.757 504 HG LEU 64 HG LEU 64 9.469 -1.357 6.318 505 HD11 LEU 64 HD11 LEU 64 10.873 0.569 7.134 506 HD12 LEU 64 HD12 LEU 64 9.465 0.127 8.101 507 HD13 LEU 64 HD13 LEU 64 9.392 1.560 7.087 508 HD21 LEU 64 HD21 LEU 64 7.386 -0.920 5.096 509 HD22 LEU 64 HD22 LEU 64 7.474 0.783 5.558 510 HD23 LEU 64 HD23 LEU 64 7.251 -0.467 6.800 511 H GLN 65 H GLN 65 12.064 2.058 4.418 512 HA GLN 65 HA GLN 65 11.147 4.098 6.336 513 HB2 GLN 65 HB2 GLN 65 13.506 4.664 6.622 514 HB3 GLN 65 HB3 GLN 65 13.133 2.993 7.018 515 HG2 GLN 65 HG2 GLN 65 14.246 2.147 5.081 516 HG3 GLN 65 HG3 GLN 65 14.344 3.746 4.336 517 HE21 GLN 65 HE21 GLN 65 16.213 1.529 5.998 518 HE22 GLN 65 HE22 GLN 65 17.418 2.649 6.611 519 H ILE 66 H ILE 66 12.671 4.014 3.044 520 HA ILE 66 HA ILE 66 13.124 6.754 2.846 521 HB ILE 66 HB ILE 66 12.470 4.874 0.540 522 HG12 ILE 66 HG12 ILE 66 15.247 5.692 1.465 523 HG13 ILE 66 HG13 ILE 66 14.480 4.289 2.150 524 HG21 ILE 66 HG21 ILE 66 12.346 7.221 -0.174 525 HG22 ILE 66 HG22 ILE 66 13.915 7.561 0.581 526 HG23 ILE 66 HG23 ILE 66 13.806 6.479 -0.817 527 HD11 ILE 66 HD11 ILE 66 15.249 4.669 -0.753 528 HD12 ILE 66 HD12 ILE 66 15.865 3.481 0.408 529 HD13 ILE 66 HD13 ILE 66 14.204 3.345 -0.194 530 H LEU 67 H LEU 67 10.129 4.989 1.891 531 HA LEU 67 HA LEU 67 9.064 7.328 0.648 532 HB2 LEU 67 HB2 LEU 67 7.495 4.928 1.683 533 HB3 LEU 67 HB3 LEU 67 6.965 6.111 0.514 534 HG LEU 67 HG LEU 67 8.529 3.666 0.141 535 HD11 LEU 67 HD11 LEU 67 6.246 4.133 -0.745 536 HD12 LEU 67 HD12 LEU 67 7.386 3.689 -2.022 537 HD13 LEU 67 HD13 LEU 67 6.915 5.389 -1.791 538 HD21 LEU 67 HD21 LEU 67 10.405 5.119 -0.478 539 HD22 LEU 67 HD22 LEU 67 9.339 6.115 -1.493 540 HD23 LEU 67 HD23 LEU 67 9.702 4.422 -1.918 541 H GLN 68 H GLN 68 9.050 6.299 3.960 542 HA GLN 68 HA GLN 68 6.920 8.191 4.782 543 HB2 GLN 68 HB2 GLN 68 8.687 6.208 6.300 544 HB3 GLN 68 HB3 GLN 68 7.495 7.273 7.043 545 HG2 GLN 68 HG2 GLN 68 5.758 6.221 5.466 546 HG3 GLN 68 HG3 GLN 68 6.985 5.002 5.096 547 HE21 GLN 68 HE21 GLN 68 7.446 3.408 6.712 548 HE22 GLN 68 HE22 GLN 68 6.384 3.226 8.116 549 H ALA 69 H ALA 69 10.411 7.858 4.637 550 HA ALA 69 HA ALA 69 11.155 9.875 6.507 551 HB1 ALA 69 HB1 ALA 69 13.298 9.831 5.308 552 HB2 ALA 69 HB2 ALA 69 12.732 8.182 5.584 553 HB3 ALA 69 HB3 ALA 69 12.588 8.933 3.975 554 H LEU 70 H LEU 70 10.011 10.024 3.172 555 HA LEU 70 HA LEU 70 10.508 12.954 3.071 556 HB2 LEU 70 HB2 LEU 70 9.297 11.319 0.832 557 HB3 LEU 70 HB3 LEU 70 10.125 12.876 0.758 558 HG LEU 70 HG LEU 70 11.281 10.102 1.039 559 HD11 LEU 70 HD11 LEU 70 12.492 10.695 -0.975 560 HD12 LEU 70 HD12 LEU 70 11.828 12.343 -0.940 561 HD13 LEU 70 HD13 LEU 70 10.761 10.952 -1.208 562 HD21 LEU 70 HD21 LEU 70 12.688 11.345 2.589 563 HD22 LEU 70 HD22 LEU 70 12.752 12.726 1.499 564 HD23 LEU 70 HD23 LEU 70 13.580 11.204 1.090 565 H HIS 71 H HIS 71 8.645 14.116 2.016 566 HA HIS 71 HA HIS 71 6.013 13.332 3.210 567 HB2 HIS 71 HB2 HIS 71 7.362 16.027 3.010 568 HB3 HIS 71 HB3 HIS 71 5.662 15.829 3.334 569 HD1 HIS 71 HD1 HIS 71 6.357 13.113 5.360 570 HD2 HIS 71 HD2 HIS 71 7.613 17.149 5.455 571 HE1 HIS 71 HE1 HIS 71 7.015 13.600 7.751 572 HA PRO 72 HA PRO 72 5.684 13.493 -1.338 573 HB2 PRO 72 HB2 PRO 72 3.670 11.569 -1.546 574 HB3 PRO 72 HB3 PRO 72 5.438 11.229 -1.549 575 HG2 PRO 72 HG2 PRO 72 3.441 10.986 0.686 576 HG3 PRO 72 HG3 PRO 72 4.800 9.909 0.285 577 HD2 PRO 72 HD2 PRO 72 4.918 11.789 2.273 578 HD3 PRO 72 HD3 PRO 72 6.354 11.312 1.314 579 HA PRO 73 HA PRO 73 2.005 16.044 -1.556 580 HB2 PRO 73 HB2 PRO 73 1.175 15.752 -4.158 581 HB3 PRO 73 HB3 PRO 73 2.636 16.662 -3.650 582 HG2 PRO 73 HG2 PRO 73 2.480 13.790 -4.639 583 HG3 PRO 73 HG3 PRO 73 3.580 15.095 -5.196 584 HD2 PRO 73 HD2 PRO 73 4.382 13.271 -3.365 585 HD3 PRO 73 HD3 PRO 73 4.870 14.978 -3.216 586 H LEU 74 H LEU 74 1.884 12.725 -1.960 587 HA LEU 74 HA LEU 74 -0.858 12.034 -2.228 588 HB2 LEU 74 HB2 LEU 74 1.348 10.762 -2.615 589 HB3 LEU 74 HB3 LEU 74 1.433 10.531 -0.879 590 HG LEU 74 HG LEU 74 -0.384 9.000 -0.906 591 HD11 LEU 74 HD11 LEU 74 -1.937 10.212 -2.472 592 HD12 LEU 74 HD12 LEU 74 -1.797 8.491 -2.825 593 HD13 LEU 74 HD13 LEU 74 -0.951 9.670 -3.834 594 HD21 LEU 74 HD21 LEU 74 1.793 8.184 -1.910 595 HD22 LEU 74 HD22 LEU 74 1.147 8.563 -3.534 596 HD23 LEU 74 HD23 LEU 74 0.393 7.313 -2.534 597 H THR 75 H THR 75 -1.316 10.402 -0.024 598 HA THR 75 HA THR 75 -2.391 10.360 1.948 599 HB THR 75 HB THR 75 -1.654 13.230 2.421 600 HG1 THR 75 HG1 THR 75 0.256 12.075 2.482 601 HG21 THR 75 HG21 THR 75 -2.937 13.183 4.189 602 HG22 THR 75 HG22 THR 75 -2.049 11.809 4.875 603 HG23 THR 75 HG23 THR 75 -3.443 11.552 3.791 604 H ILE 76 H ILE 76 -3.890 9.986 0.589 605 HA ILE 76 HA ILE 76 -5.588 12.091 -0.668 606 HB ILE 76 HB ILE 76 -6.013 9.081 -0.653 607 HG12 ILE 76 HG12 ILE 76 -4.965 10.886 -2.896 608 HG13 ILE 76 HG13 ILE 76 -3.986 9.831 -1.907 609 HG21 ILE 76 HG21 ILE 76 -7.475 11.145 -2.350 610 HG22 ILE 76 HG22 ILE 76 -7.677 9.378 -2.422 611 HG23 ILE 76 HG23 ILE 76 -8.156 10.254 -0.976 612 HD11 ILE 76 HD11 ILE 76 -5.402 7.868 -2.731 613 HD12 ILE 76 HD12 ILE 76 -6.028 8.990 -3.953 614 HD13 ILE 76 HD13 ILE 76 -4.300 8.631 -3.907 615 H ASP 77 H ASP 77 -7.270 13.004 0.324 616 HA ASP 77 HA ASP 77 -8.864 13.515 1.780 617 HB2 ASP 77 HB2 ASP 77 -9.357 10.549 1.593 618 HB3 ASP 77 HB3 ASP 77 -10.485 11.708 2.317 619 H GLY 78 H GLY 78 -6.293 13.162 2.868 620 HA2 GLY 78 HA2 GLY 78 -5.334 13.665 4.898 621 HA3 GLY 78 HA3 GLY 78 -6.915 13.472 5.694 622 H LYS 79 H LYS 79 -5.923 10.812 3.726 623 HA LYS 79 HA LYS 79 -5.269 9.187 6.146 624 HB2 LYS 79 HB2 LYS 79 -6.083 8.253 3.356 625 HB3 LYS 79 HB3 LYS 79 -6.014 7.331 4.815 626 HG2 LYS 79 HG2 LYS 79 -8.025 9.604 4.408 627 HG3 LYS 79 HG3 LYS 79 -8.216 8.015 3.748 628 HD2 LYS 79 HD2 LYS 79 -9.459 7.892 5.659 629 HD3 LYS 79 HD3 LYS 79 -7.955 7.073 6.105 630 HE2 LYS 79 HE2 LYS 79 -7.172 9.117 7.250 631 HE3 LYS 79 HE3 LYS 79 -8.552 10.022 6.644 632 HZ1 LYS 79 HZ1 LYS 79 -8.764 7.705 8.446 633 HZ2 LYS 79 HZ2 LYS 79 -10.012 8.629 7.896 634 HZ3 LYS 79 HZ3 LYS 79 -8.887 9.275 8.914 635 H THR 80 H THR 80 -2.879 9.690 6.194 636 HA THR 80 HA THR 80 -1.515 9.638 3.653 637 HB THR 80 HB THR 80 -0.565 10.777 5.772 638 HG1 THR 80 HG1 THR 80 0.809 10.420 4.037 639 HG21 THR 80 HG21 THR 80 -1.027 8.923 7.212 640 HG22 THR 80 HG22 THR 80 0.695 9.407 7.243 641 HG23 THR 80 HG23 THR 80 0.227 7.960 6.313 642 H ILE 81 H ILE 81 -0.635 8.048 2.663 643 HA ILE 81 HA ILE 81 -1.478 5.306 3.266 644 HB ILE 81 HB ILE 81 0.573 6.151 1.204 645 HG12 ILE 81 HG12 ILE 81 -1.528 7.138 0.667 646 HG13 ILE 81 HG13 ILE 81 -1.284 5.768 -0.384 647 HG21 ILE 81 HG21 ILE 81 0.009 3.893 0.272 648 HG22 ILE 81 HG22 ILE 81 0.953 3.871 1.762 649 HG23 ILE 81 HG23 ILE 81 -0.783 3.522 1.836 650 HD11 ILE 81 HD11 ILE 81 -2.771 4.394 1.258 651 HD12 ILE 81 HD12 ILE 81 -3.231 5.965 1.946 652 HD13 ILE 81 HD13 ILE 81 -3.571 5.598 0.248 653 H ASN 82 H ASN 82 -0.863 4.294 4.894 654 HA ASN 82 HA ASN 82 1.804 4.521 6.127 655 HB2 ASN 82 HB2 ASN 82 -0.754 3.659 6.940 656 HB3 ASN 82 HB3 ASN 82 0.191 2.166 6.837 657 HD21 ASN 82 HD21 ASN 82 -0.754 4.635 8.838 658 HD22 ASN 82 HD22 ASN 82 0.614 4.650 9.917 659 H VAL 83 H VAL 83 3.031 2.335 6.397 660 HA VAL 83 HA VAL 83 2.757 0.580 4.014 661 HB VAL 83 HB VAL 83 5.229 0.922 3.581 662 HG11 VAL 83 HG11 VAL 83 3.540 3.435 3.161 663 HG12 VAL 83 HG12 VAL 83 4.979 2.949 2.264 664 HG13 VAL 83 HG13 VAL 83 3.497 1.982 2.142 665 HG21 VAL 83 HG21 VAL 83 6.370 2.851 4.373 666 HG22 VAL 83 HG22 VAL 83 4.899 3.513 5.131 667 HG23 VAL 83 HG23 VAL 83 5.675 2.067 5.805 668 H GLU 84 H GLU 84 2.000 -0.205 6.502 669 HA GLU 84 HA GLU 84 4.176 -1.233 8.155 670 HB2 GLU 84 HB2 GLU 84 1.221 -1.912 7.948 671 HB3 GLU 84 HB3 GLU 84 2.269 -2.529 9.236 672 HG2 GLU 84 HG2 GLU 84 1.841 0.449 8.721 673 HG3 GLU 84 HG3 GLU 84 0.783 -0.460 9.756 674 H PHE 85 H PHE 85 5.133 -3.418 8.101 675 HA PHE 85 HA PHE 85 4.912 -4.735 5.561 676 HB2 PHE 85 HB2 PHE 85 6.101 -5.637 8.196 677 HB3 PHE 85 HB3 PHE 85 6.099 -6.647 6.758 678 HD1 PHE 85 HD1 PHE 85 8.249 -4.739 8.579 679 HD2 PHE 85 HD2 PHE 85 6.909 -5.097 4.466 680 HE1 PHE 85 HE1 PHE 85 10.432 -3.844 7.745 681 HE2 PHE 85 HE2 PHE 85 8.998 -4.118 3.719 682 HZ PHE 85 HZ PHE 85 10.801 -3.559 5.333 683 H ALA 86 H ALA 86 3.759 -6.466 4.851 684 HA ALA 86 HA ALA 86 1.483 -7.442 6.443 685 HB1 ALA 86 HB1 ALA 86 2.456 -7.946 3.644 686 HB2 ALA 86 HB2 ALA 86 1.098 -8.821 4.363 687 HB3 ALA 86 HB3 ALA 86 1.006 -7.065 4.094 688 H LYS 87 H LYS 87 2.807 -8.202 8.101 689 HA LYS 87 HA LYS 87 4.680 -10.295 8.017 690 HB2 LYS 87 HB2 LYS 87 3.762 -8.767 9.932 691 HB3 LYS 87 HB3 LYS 87 2.560 -10.010 10.190 692 HG2 LYS 87 HG2 LYS 87 5.577 -10.435 10.262 693 HG3 LYS 87 HG3 LYS 87 4.571 -10.083 11.668 694 HD2 LYS 87 HD2 LYS 87 3.307 -12.201 11.297 695 HD3 LYS 87 HD3 LYS 87 4.372 -12.571 9.932 696 HE2 LYS 87 HE2 LYS 87 5.111 -13.746 11.922 697 HE3 LYS 87 HE3 LYS 87 6.337 -12.593 11.397 698 HZ1 LYS 87 HZ1 LYS 87 5.809 -11.172 13.189 699 HZ2 LYS 87 HZ2 LYS 87 5.849 -12.672 13.835 700 HZ3 LYS 87 HZ3 LYS 87 4.395 -11.954 13.532 701 H GLY 88 H GLY 88 4.440 -12.248 7.098 702 HA2 GLY 88 HA2 GLY 88 2.057 -13.903 7.521 703 HA3 GLY 88 HA3 GLY 88 2.498 -13.509 5.838 704 H SER 89 H SER 89 3.630 -14.982 8.853 705 HA SER 89 HA SER 89 6.128 -15.971 7.630 706 HB2 SER 89 HB2 SER 89 5.349 -15.266 10.312 707 HB3 SER 89 HB3 SER 89 5.566 -17.017 10.294 708 HG SER 89 HG SER 89 7.603 -16.750 9.470 Start of MODEL 14 1 H1 GLY 1 H GLY 1 10.503 -11.228 8.462 2 HA2 GLY 1 HA2 GLY 1 8.525 -12.315 7.577 3 HA3 GLY 1 HA3 GLY 1 7.549 -11.203 8.561 4 H HIS 2 H HIS 2 9.259 -11.647 5.554 5 HA HIS 2 HA HIS 2 8.413 -9.014 4.546 6 HB2 HIS 2 HB2 HIS 2 10.935 -8.939 3.634 7 HB3 HIS 2 HB3 HIS 2 10.450 -8.185 5.110 8 HD1 HIS 2 HD1 HIS 2 11.774 -8.968 7.263 9 HD2 HIS 2 HD2 HIS 2 12.287 -11.374 3.818 10 HE1 HIS 2 HE1 HIS 2 13.739 -10.516 7.737 11 H MET 3 H MET 3 7.012 -10.072 3.209 12 HA MET 3 HA MET 3 8.042 -12.282 1.504 13 HB2 MET 3 HB2 MET 3 5.763 -12.903 1.120 14 HB3 MET 3 HB3 MET 3 6.088 -12.832 2.848 15 HG2 MET 3 HG2 MET 3 4.743 -10.968 3.174 16 HG3 MET 3 HG3 MET 3 4.843 -10.447 1.504 17 HE1 MET 3 HE1 MET 3 1.015 -11.028 1.868 18 HE2 MET 3 HE2 MET 3 2.099 -10.441 3.144 19 HE3 MET 3 HE3 MET 3 2.313 -9.891 1.473 20 H ASP 4 H ASP 4 8.773 -9.450 0.930 21 HA ASP 4 HA ASP 4 9.097 -8.179 -0.923 22 HB2 ASP 4 HB2 ASP 4 7.696 -10.329 -2.547 23 HB3 ASP 4 HB3 ASP 4 8.795 -9.080 -3.106 24 H THR 5 H THR 5 6.848 -7.903 0.897 25 HA THR 5 HA THR 5 4.999 -6.439 -0.876 26 HB THR 5 HB THR 5 4.036 -8.416 1.220 27 HG1 THR 5 HG1 THR 5 5.061 -9.514 -0.552 28 HG21 THR 5 HG21 THR 5 1.868 -8.283 0.026 29 HG22 THR 5 HG22 THR 5 2.553 -7.156 -1.137 30 HG23 THR 5 HG23 THR 5 2.343 -6.673 0.560 31 H ILE 6 H ILE 6 3.749 -4.833 0.214 32 HA ILE 6 HA ILE 6 4.587 -3.992 2.929 33 HB ILE 6 HB ILE 6 4.158 -2.341 0.408 34 HG12 ILE 6 HG12 ILE 6 6.303 -3.657 0.427 35 HG13 ILE 6 HG13 ILE 6 6.472 -1.939 0.307 36 HG21 ILE 6 HG21 ILE 6 5.025 -1.460 3.171 37 HG22 ILE 6 HG22 ILE 6 5.169 -0.473 1.707 38 HG23 ILE 6 HG23 ILE 6 3.571 -0.928 2.300 39 HD11 ILE 6 HD11 ILE 6 8.084 -3.115 1.899 40 HD12 ILE 6 HD12 ILE 6 7.236 -1.766 2.619 41 HD13 ILE 6 HD13 ILE 6 6.724 -3.436 2.971 42 H ILE 7 H ILE 7 2.950 -2.430 3.841 43 HA ILE 7 HA ILE 7 0.210 -2.971 2.873 44 HB ILE 7 HB ILE 7 0.968 -2.913 5.798 45 HG12 ILE 7 HG12 ILE 7 0.056 -5.200 4.042 46 HG13 ILE 7 HG13 ILE 7 1.601 -4.982 4.865 47 HG21 ILE 7 HG21 ILE 7 -1.474 -3.333 6.149 48 HG22 ILE 7 HG22 ILE 7 -1.205 -1.811 5.330 49 HG23 ILE 7 HG23 ILE 7 -1.715 -3.238 4.388 50 HD11 ILE 7 HD11 ILE 7 -1.041 -5.527 6.235 51 HD12 ILE 7 HD12 ILE 7 0.347 -6.606 6.080 52 HD13 ILE 7 HD13 ILE 7 0.487 -5.135 7.067 53 H LEU 8 H LEU 8 -0.555 -1.093 2.184 54 HA LEU 8 HA LEU 8 0.426 1.460 3.362 55 HB2 LEU 8 HB2 LEU 8 -1.244 0.869 0.889 56 HB3 LEU 8 HB3 LEU 8 -0.853 2.455 1.485 57 HG LEU 8 HG LEU 8 0.653 2.057 -0.266 58 HD11 LEU 8 HD11 LEU 8 1.766 3.075 1.725 59 HD12 LEU 8 HD12 LEU 8 2.878 2.120 0.731 60 HD13 LEU 8 HD13 LEU 8 2.287 1.462 2.252 61 HD21 LEU 8 HD21 LEU 8 1.969 0.156 -0.668 62 HD22 LEU 8 HD22 LEU 8 0.373 -0.478 -0.201 63 HD23 LEU 8 HD23 LEU 8 1.713 -0.512 0.950 64 H ARG 9 H ARG 9 -0.534 1.752 5.232 65 HA ARG 9 HA ARG 9 -3.293 0.928 5.814 66 HB2 ARG 9 HB2 ARG 9 -0.930 1.574 7.332 67 HB3 ARG 9 HB3 ARG 9 -2.078 2.815 7.707 68 HG2 ARG 9 HG2 ARG 9 -2.833 -0.098 7.930 69 HG3 ARG 9 HG3 ARG 9 -1.984 0.795 9.197 70 HD2 ARG 9 HD2 ARG 9 -3.942 2.575 8.799 71 HD3 ARG 9 HD3 ARG 9 -4.830 1.105 8.310 72 HE ARG 9 HE ARG 9 -3.794 0.270 10.637 73 HH11 ARG 9 HH11 ARG 9 -5.625 3.273 10.035 74 HH12 ARG 9 HH12 ARG 9 -5.511 3.784 11.680 75 HH21 ARG 9 HH21 ARG 9 -3.719 0.923 12.741 76 HH22 ARG 9 HH22 ARG 9 -4.657 2.276 13.304 77 H ASN 10 H ASN 10 -4.679 2.732 6.927 78 HA ASN 10 HA ASN 10 -5.873 4.643 6.904 79 HB2 ASN 10 HB2 ASN 10 -3.196 5.599 6.384 80 HB3 ASN 10 HB3 ASN 10 -4.314 6.559 5.445 81 HD21 ASN 10 HD21 ASN 10 -2.674 7.132 7.783 82 HD22 ASN 10 HD22 ASN 10 -3.706 7.693 9.096 83 H LEU 11 H LEU 11 -5.888 2.672 4.707 84 HA LEU 11 HA LEU 11 -5.977 4.165 2.242 85 HB2 LEU 11 HB2 LEU 11 -5.223 1.627 3.041 86 HB3 LEU 11 HB3 LEU 11 -6.762 1.283 2.306 87 HG LEU 11 HG LEU 11 -4.929 0.979 0.824 88 HD11 LEU 11 HD11 LEU 11 -7.158 1.869 -0.059 89 HD12 LEU 11 HD12 LEU 11 -5.754 2.026 -1.130 90 HD13 LEU 11 HD13 LEU 11 -6.342 3.421 -0.204 91 HD21 LEU 11 HD21 LEU 11 -3.348 2.530 0.121 92 HD22 LEU 11 HD22 LEU 11 -3.448 2.780 1.868 93 HD23 LEU 11 HD23 LEU 11 -4.263 3.902 0.770 94 H ASN 12 H ASN 12 -7.639 5.463 2.737 95 HA ASN 12 HA ASN 12 -9.965 5.307 3.970 96 HB2 ASN 12 HB2 ASN 12 -8.995 7.327 2.693 97 HB3 ASN 12 HB3 ASN 12 -9.869 6.767 1.290 98 HD21 ASN 12 HD21 ASN 12 -11.751 7.979 0.990 99 HD22 ASN 12 HD22 ASN 12 -12.769 8.476 2.334 100 HA PRO 13 HA PRO 13 -12.134 2.151 2.169 101 HB2 PRO 13 HB2 PRO 13 -14.867 2.604 2.602 102 HB3 PRO 13 HB3 PRO 13 -13.688 1.990 3.783 103 HG2 PRO 13 HG2 PRO 13 -14.680 4.807 3.359 104 HG3 PRO 13 HG3 PRO 13 -14.394 3.950 4.907 105 HD2 PRO 13 HD2 PRO 13 -12.642 5.716 3.920 106 HD3 PRO 13 HD3 PRO 13 -12.040 4.240 4.719 107 H HIS 14 H HIS 14 -12.798 5.144 0.699 108 HA HIS 14 HA HIS 14 -14.047 3.876 -1.705 109 HB2 HIS 14 HB2 HIS 14 -13.852 6.767 -0.758 110 HB3 HIS 14 HB3 HIS 14 -14.421 6.300 -2.348 111 HD1 HIS 14 HD1 HIS 14 -16.810 7.341 -1.917 112 HD2 HIS 14 HD2 HIS 14 -15.672 4.257 0.742 113 HE1 HIS 14 HE1 HIS 14 -18.886 6.682 -0.598 114 H SER 15 H SER 15 -10.981 5.054 -0.506 115 HA SER 15 HA SER 15 -10.090 6.490 -2.721 116 HB2 SER 15 HB2 SER 15 -7.818 6.085 -1.841 117 HB3 SER 15 HB3 SER 15 -8.974 6.610 -0.615 118 HG SER 15 HG SER 15 -9.189 4.469 0.077 119 H THR 16 H THR 16 -8.574 6.054 -4.307 120 HA THR 16 HA THR 16 -9.065 3.475 -5.657 121 HB THR 16 HB THR 16 -8.473 5.053 -7.665 122 HG1 THR 16 HG1 THR 16 -8.703 7.156 -7.363 123 HG21 THR 16 HG21 THR 16 -10.723 4.085 -7.226 124 HG22 THR 16 HG22 THR 16 -10.834 5.743 -7.830 125 HG23 THR 16 HG23 THR 16 -11.078 5.398 -6.098 126 H MET 17 H MET 17 -7.397 2.115 -5.417 127 HA MET 17 HA MET 17 -4.807 2.870 -4.654 128 HB2 MET 17 HB2 MET 17 -4.028 0.770 -5.211 129 HB3 MET 17 HB3 MET 17 -5.596 0.640 -4.441 130 HG2 MET 17 HG2 MET 17 -5.960 0.767 -7.323 131 HG3 MET 17 HG3 MET 17 -4.671 -0.310 -6.943 132 HE1 MET 17 HE1 MET 17 -8.088 0.228 -4.794 133 HE2 MET 17 HE2 MET 17 -8.468 0.494 -6.517 134 HE3 MET 17 HE3 MET 17 -9.099 -0.930 -5.678 135 H ASP 18 H ASP 18 -6.211 2.958 -7.852 136 HA ASP 18 HA ASP 18 -3.752 3.085 -9.342 137 HB2 ASP 18 HB2 ASP 18 -5.666 2.589 -10.517 138 HB3 ASP 18 HB3 ASP 18 -6.592 3.898 -9.815 139 H SER 19 H SER 19 -5.333 5.519 -7.284 140 HA SER 19 HA SER 19 -3.594 7.689 -8.221 141 HB2 SER 19 HB2 SER 19 -5.227 7.342 -5.658 142 HB3 SER 19 HB3 SER 19 -4.346 8.790 -6.129 143 HG SER 19 HG SER 19 -6.432 9.042 -6.636 144 H ILE 20 H ILE 20 -3.862 5.457 -5.429 145 HA ILE 20 HA ILE 20 -1.596 6.518 -4.084 146 HB ILE 20 HB ILE 20 -3.009 3.885 -3.710 147 HG12 ILE 20 HG12 ILE 20 -3.457 6.308 -1.971 148 HG13 ILE 20 HG13 ILE 20 -4.298 6.244 -3.515 149 HG21 ILE 20 HG21 ILE 20 -1.146 5.438 -1.848 150 HG22 ILE 20 HG22 ILE 20 -2.159 4.089 -1.306 151 HG23 ILE 20 HG23 ILE 20 -0.879 3.814 -2.492 152 HD11 ILE 20 HD11 ILE 20 -5.449 4.238 -2.958 153 HD12 ILE 20 HD12 ILE 20 -4.460 4.021 -1.505 154 HD13 ILE 20 HD13 ILE 20 -5.613 5.367 -1.599 155 H LEU 21 H LEU 21 -1.853 3.726 -6.264 156 HA LEU 21 HA LEU 21 0.748 2.654 -6.174 157 HB2 LEU 21 HB2 LEU 21 -1.220 3.121 -8.440 158 HB3 LEU 21 HB3 LEU 21 0.351 2.402 -8.743 159 HG LEU 21 HG LEU 21 -1.655 1.182 -6.774 160 HD11 LEU 21 HD11 LEU 21 -2.662 1.223 -8.971 161 HD12 LEU 21 HD12 LEU 21 -2.155 -0.422 -8.610 162 HD13 LEU 21 HD13 LEU 21 -1.186 0.581 -9.697 163 HD21 LEU 21 HD21 LEU 21 0.887 0.138 -8.136 164 HD22 LEU 21 HD22 LEU 21 -0.218 -0.850 -7.166 165 HD23 LEU 21 HD23 LEU 21 0.681 0.461 -6.406 166 H GLY 22 H GLY 22 -0.366 5.301 -8.351 167 HA2 GLY 22 HA2 GLY 22 2.211 6.086 -9.169 168 HA3 GLY 22 HA3 GLY 22 0.735 7.056 -9.284 169 H ALA 23 H ALA 23 0.778 6.621 -6.071 170 HA ALA 23 HA ALA 23 2.624 8.925 -5.565 171 HB1 ALA 23 HB1 ALA 23 0.034 8.216 -4.152 172 HB2 ALA 23 HB2 ALA 23 1.064 9.631 -3.880 173 HB3 ALA 23 HB3 ALA 23 0.209 9.459 -5.416 174 H LEU 24 H LEU 24 2.769 5.662 -5.213 175 HA LEU 24 HA LEU 24 4.485 5.979 -2.809 176 HB2 LEU 24 HB2 LEU 24 1.832 5.116 -2.524 177 HB3 LEU 24 HB3 LEU 24 2.683 3.610 -2.666 178 HG LEU 24 HG LEU 24 2.366 4.106 -0.402 179 HD11 LEU 24 HD11 LEU 24 4.590 3.134 -0.822 180 HD12 LEU 24 HD12 LEU 24 4.569 4.150 0.609 181 HD13 LEU 24 HD13 LEU 24 5.294 4.769 -0.897 182 HD21 LEU 24 HD21 LEU 24 1.969 6.485 -0.646 183 HD22 LEU 24 HD22 LEU 24 3.711 6.787 -0.765 184 HD23 LEU 24 HD23 LEU 24 3.000 6.127 0.735 185 H ALA 25 H ALA 25 4.432 4.942 -5.879 186 HA ALA 25 HA ALA 25 6.173 2.574 -5.303 187 HB1 ALA 25 HB1 ALA 25 5.219 1.388 -7.160 188 HB2 ALA 25 HB2 ALA 25 3.953 1.815 -5.995 189 HB3 ALA 25 HB3 ALA 25 4.118 2.726 -7.519 190 HA PRO 26 HA PRO 26 8.397 5.515 -8.107 191 HB2 PRO 26 HB2 PRO 26 10.552 6.117 -6.528 192 HB3 PRO 26 HB3 PRO 26 8.985 6.981 -6.421 193 HG2 PRO 26 HG2 PRO 26 9.989 4.725 -4.683 194 HG3 PRO 26 HG3 PRO 26 9.206 6.256 -4.189 195 HD2 PRO 26 HD2 PRO 26 7.829 3.885 -4.415 196 HD3 PRO 26 HD3 PRO 26 7.105 5.478 -4.768 197 H TYR 27 H TYR 27 9.231 2.565 -6.444 198 HA TYR 27 HA TYR 27 11.223 1.905 -8.545 199 HB2 TYR 27 HB2 TYR 27 11.449 1.127 -5.621 200 HB3 TYR 27 HB3 TYR 27 12.563 0.812 -6.879 201 HD1 TYR 27 HD1 TYR 27 11.541 3.154 -4.318 202 HD2 TYR 27 HD2 TYR 27 14.000 2.715 -7.837 203 HE1 TYR 27 HE1 TYR 27 12.666 5.251 -3.765 204 HE2 TYR 27 HE2 TYR 27 15.203 4.790 -7.227 205 HH TYR 27 HH TYR 27 14.964 6.763 -6.012 206 H ALA 28 H ALA 28 8.640 0.905 -6.451 207 HA ALA 28 HA ALA 28 8.773 -1.987 -6.991 208 HB1 ALA 28 HB1 ALA 28 7.850 -0.943 -4.852 209 HB2 ALA 28 HB2 ALA 28 6.515 -0.299 -5.826 210 HB3 ALA 28 HB3 ALA 28 6.755 -2.055 -5.677 211 H VAL 29 H VAL 29 7.754 -3.075 -8.650 212 HA VAL 29 HA VAL 29 6.415 -1.264 -10.474 213 HB VAL 29 HB VAL 29 8.226 -3.507 -11.479 214 HG11 VAL 29 HG11 VAL 29 8.613 -2.041 -13.413 215 HG12 VAL 29 HG12 VAL 29 6.883 -2.279 -13.164 216 HG13 VAL 29 HG13 VAL 29 7.653 -0.759 -12.651 217 HG21 VAL 29 HG21 VAL 29 9.285 -0.785 -10.649 218 HG22 VAL 29 HG22 VAL 29 9.726 -2.378 -9.966 219 HG23 VAL 29 HG23 VAL 29 10.154 -1.990 -11.620 220 H LEU 30 H LEU 30 4.747 -1.786 -9.518 221 HA LEU 30 HA LEU 30 3.249 -4.036 -10.752 222 HB2 LEU 30 HB2 LEU 30 2.064 -3.579 -8.270 223 HB3 LEU 30 HB3 LEU 30 3.064 -4.929 -8.729 224 HG LEU 30 HG LEU 30 3.619 -3.756 -6.634 225 HD11 LEU 30 HD11 LEU 30 5.075 -5.264 -7.161 226 HD12 LEU 30 HD12 LEU 30 6.128 -3.843 -7.039 227 HD13 LEU 30 HD13 LEU 30 5.589 -4.493 -8.631 228 HD21 LEU 30 HD21 LEU 30 3.160 -1.484 -7.221 229 HD22 LEU 30 HD22 LEU 30 4.775 -1.382 -7.917 230 HD23 LEU 30 HD23 LEU 30 4.572 -1.794 -6.214 231 H SER 31 H SER 31 1.027 -3.750 -10.757 232 HA SER 31 HA SER 31 -0.435 -1.460 -10.013 233 HB2 SER 31 HB2 SER 31 0.690 -1.376 -12.827 234 HB3 SER 31 HB3 SER 31 -0.915 -0.707 -12.517 235 HG SER 31 HG SER 31 1.393 -0.108 -10.992 236 H SER 32 H SER 32 -2.566 -1.984 -10.114 237 HA SER 32 HA SER 32 -4.326 -3.336 -10.032 238 HB2 SER 32 HB2 SER 32 -4.102 -2.710 -12.498 239 HB3 SER 32 HB3 SER 32 -3.518 -4.353 -12.773 240 HG SER 32 HG SER 32 -5.822 -3.846 -13.063 241 H SER 33 H SER 33 -1.749 -5.484 -11.493 242 HA SER 33 HA SER 33 -3.069 -7.800 -10.366 243 HB2 SER 33 HB2 SER 33 -0.448 -7.519 -11.895 244 HB3 SER 33 HB3 SER 33 -1.397 -8.986 -11.616 245 HG SER 33 HG SER 33 -3.169 -7.650 -12.673 246 H ASN 34 H ASN 34 -1.573 -5.858 -8.588 247 HA ASN 34 HA ASN 34 -0.600 -7.954 -6.759 248 HB2 ASN 34 HB2 ASN 34 1.108 -5.692 -7.834 249 HB3 ASN 34 HB3 ASN 34 1.353 -6.268 -6.201 250 HD21 ASN 34 HD21 ASN 34 2.179 -6.839 -9.405 251 HD22 ASN 34 HD22 ASN 34 3.003 -8.365 -9.144 252 H VAL 35 H VAL 35 -2.809 -5.679 -7.203 253 HA VAL 35 HA VAL 35 -2.408 -4.458 -4.509 254 HB VAL 35 HB VAL 35 -4.335 -3.421 -6.591 255 HG11 VAL 35 HG11 VAL 35 -3.304 -2.597 -3.858 256 HG12 VAL 35 HG12 VAL 35 -3.811 -1.371 -4.999 257 HG13 VAL 35 HG13 VAL 35 -4.950 -2.620 -4.477 258 HG21 VAL 35 HG21 VAL 35 -2.534 -1.617 -6.860 259 HG22 VAL 35 HG22 VAL 35 -1.391 -2.818 -6.236 260 HG23 VAL 35 HG23 VAL 35 -2.296 -3.151 -7.715 261 H ARG 36 H ARG 36 -3.526 -5.203 -2.878 262 HA ARG 36 HA ARG 36 -6.329 -6.070 -3.349 263 HB2 ARG 36 HB2 ARG 36 -4.659 -7.985 -3.310 264 HB3 ARG 36 HB3 ARG 36 -4.260 -7.559 -1.659 265 HG2 ARG 36 HG2 ARG 36 -5.794 -9.500 -1.921 266 HG3 ARG 36 HG3 ARG 36 -6.424 -8.241 -0.880 267 HD2 ARG 36 HD2 ARG 36 -8.097 -9.276 -2.426 268 HD3 ARG 36 HD3 ARG 36 -7.996 -7.508 -2.477 269 HE ARG 36 HE ARG 36 -6.397 -8.932 -4.500 270 HH11 ARG 36 HH11 ARG 36 -9.630 -7.703 -3.777 271 HH12 ARG 36 HH12 ARG 36 -9.955 -7.190 -5.409 272 HH21 ARG 36 HH21 ARG 36 -6.810 -8.220 -6.671 273 HH22 ARG 36 HH22 ARG 36 -8.432 -7.836 -7.130 274 H VAL 37 H VAL 37 -7.299 -4.250 -2.370 275 HA VAL 37 HA VAL 37 -6.243 -3.435 0.286 276 HB VAL 37 HB VAL 37 -8.708 -2.170 -0.821 277 HG11 VAL 37 HG11 VAL 37 -7.731 -0.190 0.272 278 HG12 VAL 37 HG12 VAL 37 -7.718 -1.550 1.414 279 HG13 VAL 37 HG13 VAL 37 -6.249 -1.064 0.586 280 HG21 VAL 37 HG21 VAL 37 -7.511 -0.425 -2.001 281 HG22 VAL 37 HG22 VAL 37 -6.015 -1.405 -1.973 282 HG23 VAL 37 HG23 VAL 37 -7.455 -1.972 -2.845 283 H ILE 38 H ILE 38 -7.453 -6.067 -0.110 284 HA ILE 38 HA ILE 38 -9.108 -7.470 0.498 285 HB ILE 38 HB ILE 38 -9.159 -6.002 3.098 286 HG12 ILE 38 HG12 ILE 38 -6.851 -5.961 2.826 287 HG13 ILE 38 HG13 ILE 38 -7.243 -7.274 3.915 288 HG21 ILE 38 HG21 ILE 38 -9.222 -8.966 2.500 289 HG22 ILE 38 HG22 ILE 38 -9.420 -8.177 4.086 290 HG23 ILE 38 HG23 ILE 38 -10.640 -7.942 2.835 291 HD11 ILE 38 HD11 ILE 38 -6.985 -8.857 1.893 292 HD12 ILE 38 HD12 ILE 38 -6.235 -7.448 1.089 293 HD13 ILE 38 HD13 ILE 38 -5.526 -8.101 2.562 294 H LYS 39 H LYS 39 -10.603 -6.575 -1.089 295 HA LYS 39 HA LYS 39 -12.298 -4.323 -0.463 296 HB2 LYS 39 HB2 LYS 39 -12.466 -6.522 -2.540 297 HB3 LYS 39 HB3 LYS 39 -13.523 -5.120 -2.537 298 HG2 LYS 39 HG2 LYS 39 -10.498 -4.755 -2.611 299 HG3 LYS 39 HG3 LYS 39 -11.345 -5.228 -4.078 300 HD2 LYS 39 HD2 LYS 39 -12.322 -2.887 -2.436 301 HD3 LYS 39 HD3 LYS 39 -10.983 -2.699 -3.600 302 HE2 LYS 39 HE2 LYS 39 -12.410 -3.602 -5.400 303 HE3 LYS 39 HE3 LYS 39 -13.752 -3.804 -4.271 304 HZ1 LYS 39 HZ1 LYS 39 -13.879 -1.770 -5.626 305 HZ2 LYS 39 HZ2 LYS 39 -12.525 -1.189 -4.858 306 HZ3 LYS 39 HZ3 LYS 39 -13.918 -1.462 -4.032 307 H ASP 40 H ASP 40 -14.197 -4.385 0.850 308 HA ASP 40 HA ASP 40 -15.001 -7.044 1.856 309 HB2 ASP 40 HB2 ASP 40 -15.466 -4.237 2.630 310 HB3 ASP 40 HB3 ASP 40 -16.988 -5.134 2.440 311 H LYS 41 H LYS 41 -16.450 -8.323 0.592 312 HA LYS 41 HA LYS 41 -17.938 -7.444 -1.556 313 HB2 LYS 41 HB2 LYS 41 -17.599 -9.659 -1.339 314 HB3 LYS 41 HB3 LYS 41 -18.409 -9.603 0.211 315 HG2 LYS 41 HG2 LYS 41 -20.542 -9.519 -0.676 316 HG3 LYS 41 HG3 LYS 41 -20.046 -8.589 -2.050 317 HD2 LYS 41 HD2 LYS 41 -18.819 -10.962 -2.664 318 HD3 LYS 41 HD3 LYS 41 -20.301 -11.455 -1.803 319 HE2 LYS 41 HE2 LYS 41 -21.658 -10.047 -3.317 320 HE3 LYS 41 HE3 LYS 41 -20.183 -9.479 -4.105 321 HZ1 LYS 41 HZ1 LYS 41 -20.839 -11.057 -5.516 322 HZ2 LYS 41 HZ2 LYS 41 -21.490 -12.065 -4.359 323 HZ3 LYS 41 HZ3 LYS 41 -19.874 -12.007 -4.569 324 H GLN 42 H GLN 42 -19.123 -7.709 1.837 325 HA GLN 42 HA GLN 42 -21.680 -7.292 0.835 326 HB2 GLN 42 HB2 GLN 42 -21.165 -8.373 3.017 327 HB3 GLN 42 HB3 GLN 42 -20.852 -6.772 3.716 328 HG2 GLN 42 HG2 GLN 42 -23.066 -7.677 4.310 329 HG3 GLN 42 HG3 GLN 42 -23.221 -6.165 3.438 330 HE21 GLN 42 HE21 GLN 42 -23.760 -6.319 1.084 331 HE22 GLN 42 HE22 GLN 42 -24.479 -7.787 0.421 332 H THR 43 H THR 43 -19.407 -4.858 1.508 333 HA THR 43 HA THR 43 -21.479 -2.740 1.267 334 HB THR 43 HB THR 43 -20.553 -2.801 3.510 335 HG1 THR 43 HG1 THR 43 -21.059 -0.861 2.896 336 HG21 THR 43 HG21 THR 43 -18.513 -3.892 3.325 337 HG22 THR 43 HG22 THR 43 -18.139 -2.301 3.922 338 HG23 THR 43 HG23 THR 43 -17.838 -2.675 2.210 339 H GLN 44 H GLN 44 -18.813 -4.261 -0.333 340 HA GLN 44 HA GLN 44 -17.220 -3.654 -1.772 341 HB2 GLN 44 HB2 GLN 44 -19.573 -2.194 -2.990 342 HB3 GLN 44 HB3 GLN 44 -17.972 -2.273 -3.719 343 HG2 GLN 44 HG2 GLN 44 -18.931 -4.079 -4.744 344 HG3 GLN 44 HG3 GLN 44 -18.104 -4.855 -3.401 345 HE21 GLN 44 HE21 GLN 44 -19.564 -6.706 -3.755 346 HE22 GLN 44 HE22 GLN 44 -21.225 -6.568 -3.172 347 H LEU 45 H LEU 45 -16.386 -2.730 0.246 348 HA LEU 45 HA LEU 45 -15.399 0.039 -0.283 349 HB2 LEU 45 HB2 LEU 45 -15.840 -1.365 2.408 350 HB3 LEU 45 HB3 LEU 45 -15.011 0.173 2.207 351 HG LEU 45 HG LEU 45 -17.932 -0.376 1.571 352 HD11 LEU 45 HD11 LEU 45 -17.437 -0.234 3.985 353 HD12 LEU 45 HD12 LEU 45 -18.426 1.108 3.426 354 HD13 LEU 45 HD13 LEU 45 -16.692 1.368 3.735 355 HD21 LEU 45 HD21 LEU 45 -17.311 1.138 -0.014 356 HD22 LEU 45 HD22 LEU 45 -16.132 1.946 0.998 357 HD23 LEU 45 HD23 LEU 45 -17.868 2.224 1.292 358 H ASN 46 H ASN 46 -13.172 0.342 0.531 359 HA ASN 46 HA ASN 46 -11.425 -2.049 0.347 360 HB2 ASN 46 HB2 ASN 46 -10.837 0.771 1.413 361 HB3 ASN 46 HB3 ASN 46 -9.680 -0.478 1.102 362 HD21 ASN 46 HD21 ASN 46 -9.566 2.206 0.045 363 HD22 ASN 46 HD22 ASN 46 -9.765 2.157 -1.664 364 H ARG 47 H ARG 47 -10.364 -2.984 2.338 365 HA ARG 47 HA ARG 47 -11.752 -2.632 4.854 366 HB2 ARG 47 HB2 ARG 47 -9.329 -4.082 3.881 367 HB3 ARG 47 HB3 ARG 47 -9.348 -3.723 5.575 368 HG2 ARG 47 HG2 ARG 47 -11.640 -5.226 4.239 369 HG3 ARG 47 HG3 ARG 47 -10.250 -5.971 5.043 370 HD2 ARG 47 HD2 ARG 47 -11.662 -5.999 6.783 371 HD3 ARG 47 HD3 ARG 47 -10.909 -4.426 7.070 372 HE ARG 47 HE ARG 47 -13.369 -4.470 5.434 373 HH11 ARG 47 HH11 ARG 47 -12.246 -4.461 8.788 374 HH12 ARG 47 HH12 ARG 47 -13.726 -3.809 9.413 375 HH21 ARG 47 HH21 ARG 47 -15.021 -3.215 6.130 376 HH22 ARG 47 HH22 ARG 47 -15.480 -3.143 7.810 377 H GLY 48 H GLY 48 -9.099 -0.861 3.426 378 HA2 GLY 48 HA2 GLY 48 -8.564 1.327 4.434 379 HA3 GLY 48 HA3 GLY 48 -8.714 0.613 6.003 380 H PHE 49 H PHE 49 -7.098 -1.547 3.809 381 HA PHE 49 HA PHE 49 -4.451 -0.425 4.190 382 HB2 PHE 49 HB2 PHE 49 -3.808 -2.793 5.108 383 HB3 PHE 49 HB3 PHE 49 -4.303 -1.500 6.171 384 HD1 PHE 49 HD1 PHE 49 -5.329 -4.748 4.681 385 HD2 PHE 49 HD2 PHE 49 -6.330 -1.636 7.506 386 HE1 PHE 49 HE1 PHE 49 -6.906 -6.281 5.843 387 HE2 PHE 49 HE2 PHE 49 -7.949 -3.156 8.600 388 HZ PHE 49 HZ PHE 49 -8.229 -5.495 7.763 389 H ALA 50 H ALA 50 -3.396 -0.755 2.264 390 HA ALA 50 HA ALA 50 -4.419 -2.843 0.386 391 HB1 ALA 50 HB1 ALA 50 -4.418 -0.587 -0.604 392 HB2 ALA 50 HB2 ALA 50 -2.720 -0.379 -0.148 393 HB3 ALA 50 HB3 ALA 50 -3.176 -1.591 -1.348 394 H PHE 51 H PHE 51 -3.241 -4.630 0.054 395 HA PHE 51 HA PHE 51 -0.406 -4.694 0.872 396 HB2 PHE 51 HB2 PHE 51 -2.328 -6.734 -0.267 397 HB3 PHE 51 HB3 PHE 51 -0.591 -6.983 -0.285 398 HD1 PHE 51 HD1 PHE 51 -0.115 -8.692 1.230 399 HD2 PHE 51 HD2 PHE 51 -2.830 -5.565 2.433 400 HE1 PHE 51 HE1 PHE 51 -0.262 -9.673 3.503 401 HE2 PHE 51 HE2 PHE 51 -2.987 -6.565 4.685 402 HZ PHE 51 HZ PHE 51 -1.700 -8.617 5.232 403 H ILE 52 H ILE 52 1.172 -4.230 -0.545 404 HA ILE 52 HA ILE 52 0.724 -4.385 -3.480 405 HB ILE 52 HB ILE 52 2.251 -2.161 -2.065 406 HG12 ILE 52 HG12 ILE 52 -0.239 -1.896 -1.776 407 HG13 ILE 52 HG13 ILE 52 0.597 -0.591 -2.573 408 HG21 ILE 52 HG21 ILE 52 3.256 -2.543 -4.195 409 HG22 ILE 52 HG22 ILE 52 1.689 -2.728 -5.004 410 HG23 ILE 52 HG23 ILE 52 2.210 -1.142 -4.423 411 HD11 ILE 52 HD11 ILE 52 -0.924 -2.759 -4.029 412 HD12 ILE 52 HD12 ILE 52 -1.588 -1.159 -3.588 413 HD13 ILE 52 HD13 ILE 52 -0.254 -1.275 -4.737 414 H GLN 53 H GLN 53 2.508 -5.303 -4.534 415 HA GLN 53 HA GLN 53 4.551 -6.502 -2.794 416 HB2 GLN 53 HB2 GLN 53 3.756 -6.940 -5.676 417 HB3 GLN 53 HB3 GLN 53 5.298 -7.501 -5.076 418 HG2 GLN 53 HG2 GLN 53 3.631 -8.427 -3.080 419 HG3 GLN 53 HG3 GLN 53 2.581 -8.503 -4.474 420 HE21 GLN 53 HE21 GLN 53 6.030 -9.237 -3.652 421 HE22 GLN 53 HE22 GLN 53 6.128 -10.759 -4.506 422 H LEU 54 H LEU 54 6.769 -6.625 -3.451 423 HA LEU 54 HA LEU 54 7.896 -4.216 -4.771 424 HB2 LEU 54 HB2 LEU 54 8.459 -5.525 -2.181 425 HB3 LEU 54 HB3 LEU 54 9.871 -5.585 -3.168 426 HG LEU 54 HG LEU 54 9.876 -3.637 -1.763 427 HD11 LEU 54 HD11 LEU 54 10.644 -2.113 -3.344 428 HD12 LEU 54 HD12 LEU 54 9.504 -2.659 -4.600 429 HD13 LEU 54 HD13 LEU 54 10.851 -3.692 -4.100 430 HD21 LEU 54 HD21 LEU 54 7.424 -3.301 -1.580 431 HD22 LEU 54 HD22 LEU 54 7.382 -2.661 -3.216 432 HD23 LEU 54 HD23 LEU 54 8.287 -1.793 -1.961 433 H SER 55 H SER 55 10.236 -4.858 -5.589 434 HA SER 55 HA SER 55 10.028 -7.104 -7.391 435 HB2 SER 55 HB2 SER 55 12.344 -5.316 -6.572 436 HB3 SER 55 HB3 SER 55 12.496 -6.659 -7.697 437 HG SER 55 HG SER 55 11.292 -4.178 -7.956 438 H THR 56 H THR 56 11.804 -6.468 -4.308 439 HA THR 56 HA THR 56 12.455 -9.321 -4.081 440 HB THR 56 HB THR 56 14.698 -7.474 -3.758 441 HG1 THR 56 HG1 THR 56 14.811 -8.129 -6.306 442 HG21 THR 56 HG21 THR 56 14.428 -10.048 -5.313 443 HG22 THR 56 HG22 THR 56 14.779 -9.971 -3.567 444 HG23 THR 56 HG23 THR 56 15.930 -9.287 -4.730 445 H ILE 57 H ILE 57 13.200 -9.873 -1.969 446 HA ILE 57 HA ILE 57 11.775 -8.713 -0.094 447 HB ILE 57 HB ILE 57 13.191 -9.832 1.691 448 HG12 ILE 57 HG12 ILE 57 14.599 -11.387 -0.475 449 HG13 ILE 57 HG13 ILE 57 15.291 -9.854 -0.003 450 HG21 ILE 57 HG21 ILE 57 12.422 -12.032 1.071 451 HG22 ILE 57 HG22 ILE 57 11.212 -10.825 0.601 452 HG23 ILE 57 HG23 ILE 57 12.272 -11.537 -0.629 453 HD11 ILE 57 HD11 ILE 57 14.676 -12.120 1.930 454 HD12 ILE 57 HD12 ILE 57 16.279 -11.667 1.317 455 HD13 ILE 57 HD13 ILE 57 15.386 -10.541 2.354 456 H VAL 58 H VAL 58 15.135 -7.916 -0.659 457 HA VAL 58 HA VAL 58 15.567 -6.413 1.690 458 HB VAL 58 HB VAL 58 17.041 -5.964 -0.938 459 HG11 VAL 58 HG11 VAL 58 18.967 -5.663 0.616 460 HG12 VAL 58 HG12 VAL 58 17.669 -4.513 0.911 461 HG13 VAL 58 HG13 VAL 58 17.859 -5.902 1.998 462 HG21 VAL 58 HG21 VAL 58 18.585 -7.822 -0.252 463 HG22 VAL 58 HG22 VAL 58 17.367 -8.342 0.932 464 HG23 VAL 58 HG23 VAL 58 17.013 -8.363 -0.815 465 H GLU 59 H GLU 59 14.349 -5.550 -1.505 466 HA GLU 59 HA GLU 59 14.471 -2.707 -1.245 467 HB2 GLU 59 HB2 GLU 59 12.609 -4.352 -2.978 468 HB3 GLU 59 HB3 GLU 59 13.052 -2.654 -3.194 469 HG2 GLU 59 HG2 GLU 59 14.657 -5.138 -3.710 470 HG3 GLU 59 HG3 GLU 59 14.355 -3.768 -4.783 471 H ALA 60 H ALA 60 12.102 -5.105 -0.186 472 HA ALA 60 HA ALA 60 9.930 -3.302 0.387 473 HB1 ALA 60 HB1 ALA 60 8.998 -5.008 1.649 474 HB2 ALA 60 HB2 ALA 60 9.879 -5.822 0.362 475 HB3 ALA 60 HB3 ALA 60 10.582 -5.724 2.015 476 H ALA 61 H ALA 61 12.841 -4.176 2.327 477 HA ALA 61 HA ALA 61 12.029 -2.591 4.604 478 HB1 ALA 61 HB1 ALA 61 14.771 -3.546 3.694 479 HB2 ALA 61 HB2 ALA 61 14.436 -2.748 5.248 480 HB3 ALA 61 HB3 ALA 61 13.702 -4.322 4.892 481 H GLN 62 H GLN 62 14.293 -1.966 1.874 482 HA GLN 62 HA GLN 62 15.095 0.623 2.601 483 HB2 GLN 62 HB2 GLN 62 14.874 -0.733 -0.046 484 HB3 GLN 62 HB3 GLN 62 15.507 0.904 0.112 485 HG2 GLN 62 HG2 GLN 62 17.334 0.259 1.471 486 HG3 GLN 62 HG3 GLN 62 16.639 -1.347 1.815 487 HE21 GLN 62 HE21 GLN 62 16.316 -2.833 0.031 488 HE22 GLN 62 HE22 GLN 62 16.925 -2.433 -1.550 489 H LEU 63 H LEU 63 12.544 -0.278 0.237 490 HA LEU 63 HA LEU 63 11.556 2.383 -0.075 491 HB2 LEU 63 HB2 LEU 63 10.552 -0.324 -0.939 492 HB3 LEU 63 HB3 LEU 63 9.429 1.020 -0.858 493 HG LEU 63 HG LEU 63 11.028 2.348 -2.264 494 HD11 LEU 63 HD11 LEU 63 12.603 1.026 -3.696 495 HD12 LEU 63 HD12 LEU 63 12.259 -0.408 -2.715 496 HD13 LEU 63 HD13 LEU 63 13.056 1.002 -2.001 497 HD21 LEU 63 HD21 LEU 63 8.850 1.095 -2.960 498 HD22 LEU 63 HD22 LEU 63 9.936 -0.064 -3.733 499 HD23 LEU 63 HD23 LEU 63 9.928 1.646 -4.214 500 H LEU 64 H LEU 64 11.162 0.352 2.778 501 HA LEU 64 HA LEU 64 8.737 1.919 3.355 502 HB2 LEU 64 HB2 LEU 64 9.053 -0.615 3.900 503 HB3 LEU 64 HB3 LEU 64 10.214 -0.112 5.114 504 HG LEU 64 HG LEU 64 8.282 1.147 6.279 505 HD11 LEU 64 HD11 LEU 64 6.730 -0.362 4.167 506 HD12 LEU 64 HD12 LEU 64 6.881 1.400 4.273 507 HD13 LEU 64 HD13 LEU 64 6.019 0.484 5.546 508 HD21 LEU 64 HD21 LEU 64 7.964 -1.821 5.797 509 HD22 LEU 64 HD22 LEU 64 7.259 -0.891 7.146 510 HD23 LEU 64 HD23 LEU 64 9.018 -1.064 7.014 511 H GLN 65 H GLN 65 11.892 2.744 3.351 512 HA GLN 65 HA GLN 65 11.591 4.414 5.814 513 HB2 GLN 65 HB2 GLN 65 13.931 4.059 6.378 514 HB3 GLN 65 HB3 GLN 65 12.942 2.606 6.506 515 HG2 GLN 65 HG2 GLN 65 13.866 1.831 4.323 516 HG3 GLN 65 HG3 GLN 65 14.921 3.241 4.280 517 HE21 GLN 65 HE21 GLN 65 14.185 0.174 6.033 518 HE22 GLN 65 HE22 GLN 65 15.723 0.117 6.845 519 H ILE 66 H ILE 66 13.361 3.988 2.724 520 HA ILE 66 HA ILE 66 14.289 6.643 2.439 521 HB ILE 66 HB ILE 66 13.352 4.655 0.316 522 HG12 ILE 66 HG12 ILE 66 16.136 5.141 1.432 523 HG13 ILE 66 HG13 ILE 66 15.155 3.749 1.811 524 HG21 ILE 66 HG21 ILE 66 13.508 6.965 -0.553 525 HG22 ILE 66 HG22 ILE 66 15.201 7.046 -0.023 526 HG23 ILE 66 HG23 ILE 66 14.686 5.897 -1.285 527 HD11 ILE 66 HD11 ILE 66 15.133 3.138 -0.641 528 HD12 ILE 66 HD12 ILE 66 16.348 4.412 -0.894 529 HD13 ILE 66 HD13 ILE 66 16.714 3.047 0.165 530 H LEU 67 H LEU 67 11.217 5.157 1.278 531 HA LEU 67 HA LEU 67 10.421 7.494 -0.023 532 HB2 LEU 67 HB2 LEU 67 8.408 5.518 1.072 533 HB3 LEU 67 HB3 LEU 67 8.278 6.562 -0.346 534 HG LEU 67 HG LEU 67 9.967 4.107 0.048 535 HD11 LEU 67 HD11 LEU 67 7.603 3.776 -0.600 536 HD12 LEU 67 HD12 LEU 67 8.665 3.272 -1.917 537 HD13 LEU 67 HD13 LEU 67 7.820 4.834 -2.008 538 HD21 LEU 67 HD21 LEU 67 10.711 4.467 -2.399 539 HD22 LEU 67 HD22 LEU 67 11.494 5.468 -1.181 540 HD23 LEU 67 HD23 LEU 67 10.210 6.143 -2.179 541 H GLN 68 H GLN 68 9.812 6.544 3.341 542 HA GLN 68 HA GLN 68 7.875 8.312 4.177 543 HB2 GLN 68 HB2 GLN 68 10.516 7.884 5.641 544 HB3 GLN 68 HB3 GLN 68 8.962 8.328 6.330 545 HG2 GLN 68 HG2 GLN 68 8.105 6.042 5.633 546 HG3 GLN 68 HG3 GLN 68 9.756 5.633 5.157 547 HE21 GLN 68 HE21 GLN 68 8.694 4.022 7.068 548 HE22 GLN 68 HE22 GLN 68 9.177 4.449 8.692 549 H ALA 69 H ALA 69 11.238 9.081 3.348 550 HA ALA 69 HA ALA 69 11.051 11.826 4.418 551 HB1 ALA 69 HB1 ALA 69 13.101 10.428 4.698 552 HB2 ALA 69 HB2 ALA 69 13.299 10.401 2.931 553 HB3 ALA 69 HB3 ALA 69 13.395 11.943 3.818 554 H LEU 70 H LEU 70 10.310 10.262 1.495 555 HA LEU 70 HA LEU 70 10.830 12.632 -0.190 556 HB2 LEU 70 HB2 LEU 70 10.389 9.735 -0.992 557 HB3 LEU 70 HB3 LEU 70 10.884 11.046 -2.064 558 HG LEU 70 HG LEU 70 12.540 9.684 0.077 559 HD11 LEU 70 HD11 LEU 70 12.853 9.887 -2.947 560 HD12 LEU 70 HD12 LEU 70 12.215 8.482 -2.067 561 HD13 LEU 70 HD13 LEU 70 13.900 8.988 -1.824 562 HD21 LEU 70 HD21 LEU 70 14.416 11.109 -0.646 563 HD22 LEU 70 HD22 LEU 70 13.117 12.034 0.105 564 HD23 LEU 70 HD23 LEU 70 13.301 12.053 -1.669 565 H HIS 71 H HIS 71 9.241 12.049 -2.217 566 HA HIS 71 HA HIS 71 7.243 12.266 -3.178 567 HB2 HIS 71 HB2 HIS 71 6.430 10.512 -0.858 568 HB3 HIS 71 HB3 HIS 71 5.180 11.225 -1.816 569 HD1 HIS 71 HD1 HIS 71 7.035 10.737 -4.676 570 HD2 HIS 71 HD2 HIS 71 5.665 8.078 -1.701 571 HE1 HIS 71 HE1 HIS 71 6.964 8.443 -5.748 572 HA PRO 72 HA PRO 72 5.325 15.943 -1.581 573 HB2 PRO 72 HB2 PRO 72 2.658 15.700 -2.285 574 HB3 PRO 72 HB3 PRO 72 3.959 16.057 -3.464 575 HG2 PRO 72 HG2 PRO 72 2.792 13.335 -2.764 576 HG3 PRO 72 HG3 PRO 72 2.951 14.070 -4.390 577 HD2 PRO 72 HD2 PRO 72 4.828 12.391 -3.558 578 HD3 PRO 72 HD3 PRO 72 5.339 13.921 -4.314 579 HA PRO 73 HA PRO 73 3.185 14.729 2.281 580 HB2 PRO 73 HB2 PRO 73 1.461 16.808 2.740 581 HB3 PRO 73 HB3 PRO 73 3.231 16.899 3.002 582 HG2 PRO 73 HG2 PRO 73 1.672 17.838 0.582 583 HG3 PRO 73 HG3 PRO 73 2.947 18.710 1.495 584 HD2 PRO 73 HD2 PRO 73 3.453 17.367 -0.814 585 HD3 PRO 73 HD3 PRO 73 4.652 17.419 0.513 586 H LEU 74 H LEU 74 2.336 12.949 1.281 587 HA LEU 74 HA LEU 74 0.091 12.948 -0.502 588 HB2 LEU 74 HB2 LEU 74 2.228 11.418 -0.334 589 HB3 LEU 74 HB3 LEU 74 1.341 10.564 0.908 590 HG LEU 74 HG LEU 74 0.994 10.708 -2.042 591 HD11 LEU 74 HD11 LEU 74 1.994 8.802 -0.825 592 HD12 LEU 74 HD12 LEU 74 0.562 8.295 -1.733 593 HD13 LEU 74 HD13 LEU 74 0.463 8.526 0.026 594 HD21 LEU 74 HD21 LEU 74 -1.279 9.817 -2.064 595 HD22 LEU 74 HD22 LEU 74 -1.248 11.483 -1.515 596 HD23 LEU 74 HD23 LEU 74 -1.445 10.162 -0.323 597 H THR 75 H THR 75 -1.881 13.309 0.248 598 HA THR 75 HA THR 75 -2.861 11.831 2.588 599 HB THR 75 HB THR 75 -3.628 14.734 2.509 600 HG1 THR 75 HG1 THR 75 -1.727 15.386 2.665 601 HG21 THR 75 HG21 THR 75 -3.752 14.435 4.905 602 HG22 THR 75 HG22 THR 75 -2.887 12.885 4.804 603 HG23 THR 75 HG23 THR 75 -4.514 13.045 4.116 604 H ILE 76 H ILE 76 -4.387 10.653 1.386 605 HA ILE 76 HA ILE 76 -6.057 12.175 -0.540 606 HB ILE 76 HB ILE 76 -5.770 9.191 -0.085 607 HG12 ILE 76 HG12 ILE 76 -4.501 11.095 -2.114 608 HG13 ILE 76 HG13 ILE 76 -3.696 10.053 -0.935 609 HG21 ILE 76 HG21 ILE 76 -7.175 10.719 -2.327 610 HG22 ILE 76 HG22 ILE 76 -7.076 8.951 -2.123 611 HG23 ILE 76 HG23 ILE 76 -7.990 9.892 -0.973 612 HD11 ILE 76 HD11 ILE 76 -3.420 8.939 -2.974 613 HD12 ILE 76 HD12 ILE 76 -4.737 8.091 -2.117 614 HD13 ILE 76 HD13 ILE 76 -5.110 9.202 -3.458 615 H ASP 77 H ASP 77 -8.058 12.772 0.040 616 HA ASP 77 HA ASP 77 -9.931 13.092 1.242 617 HB2 ASP 77 HB2 ASP 77 -9.990 10.511 0.511 618 HB3 ASP 77 HB3 ASP 77 -10.013 10.261 2.251 619 H GLY 78 H GLY 78 -7.445 13.695 2.489 620 HA2 GLY 78 HA2 GLY 78 -6.551 14.349 4.488 621 HA3 GLY 78 HA3 GLY 78 -8.120 14.061 5.233 622 H LYS 79 H LYS 79 -6.684 11.243 3.681 623 HA LYS 79 HA LYS 79 -5.971 10.155 6.367 624 HB2 LYS 79 HB2 LYS 79 -6.827 8.580 3.912 625 HB3 LYS 79 HB3 LYS 79 -6.618 8.008 5.547 626 HG2 LYS 79 HG2 LYS 79 -8.530 10.208 5.559 627 HG3 LYS 79 HG3 LYS 79 -8.971 9.097 4.289 628 HD2 LYS 79 HD2 LYS 79 -9.359 7.336 5.870 629 HD3 LYS 79 HD3 LYS 79 -8.564 8.238 7.183 630 HE2 LYS 79 HE2 LYS 79 -10.245 9.988 7.133 631 HE3 LYS 79 HE3 LYS 79 -10.969 9.340 5.659 632 HZ1 LYS 79 HZ1 LYS 79 -11.022 7.902 8.249 633 HZ2 LYS 79 HZ2 LYS 79 -11.816 7.495 6.870 634 HZ3 LYS 79 HZ3 LYS 79 -12.217 8.872 7.697 635 H THR 80 H THR 80 -3.750 10.515 6.537 636 HA THR 80 HA THR 80 -2.057 10.535 4.234 637 HB THR 80 HB THR 80 -0.956 9.884 6.940 638 HG1 THR 80 HG1 THR 80 -1.055 11.931 7.598 639 HG21 THR 80 HG21 THR 80 0.784 11.398 6.214 640 HG22 THR 80 HG22 THR 80 -0.223 12.013 4.893 641 HG23 THR 80 HG23 THR 80 0.401 10.347 4.853 642 H ILE 81 H ILE 81 -1.295 8.777 3.111 643 HA ILE 81 HA ILE 81 -2.008 6.125 3.878 644 HB ILE 81 HB ILE 81 0.019 7.020 1.793 645 HG12 ILE 81 HG12 ILE 81 -1.989 8.170 1.187 646 HG13 ILE 81 HG13 ILE 81 -1.891 6.756 0.158 647 HG21 ILE 81 HG21 ILE 81 -1.599 4.478 2.180 648 HG22 ILE 81 HG22 ILE 81 -0.602 4.844 0.739 649 HG23 ILE 81 HG23 ILE 81 0.156 4.658 2.330 650 HD11 ILE 81 HD11 ILE 81 -3.755 7.196 2.538 651 HD12 ILE 81 HD12 ILE 81 -4.180 6.954 0.835 652 HD13 ILE 81 HD13 ILE 81 -3.532 5.610 1.794 653 H ASN 82 H ASN 82 -1.141 5.032 5.524 654 HA ASN 82 HA ASN 82 1.455 5.842 6.677 655 HB2 ASN 82 HB2 ASN 82 -0.940 4.513 7.638 656 HB3 ASN 82 HB3 ASN 82 0.490 3.578 8.052 657 HD21 ASN 82 HD21 ASN 82 -0.504 4.237 10.283 658 HD22 ASN 82 HD22 ASN 82 0.125 5.766 10.837 659 H VAL 83 H VAL 83 3.133 4.374 7.105 660 HA VAL 83 HA VAL 83 3.545 2.412 4.969 661 HB VAL 83 HB VAL 83 5.957 2.853 5.666 662 HG11 VAL 83 HG11 VAL 83 4.332 5.277 4.826 663 HG12 VAL 83 HG12 VAL 83 6.040 4.974 4.468 664 HG13 VAL 83 HG13 VAL 83 4.787 3.962 3.747 665 HG21 VAL 83 HG21 VAL 83 4.802 5.203 7.245 666 HG22 VAL 83 HG22 VAL 83 5.612 3.789 7.957 667 HG23 VAL 83 HG23 VAL 83 6.491 4.871 6.886 668 H GLU 84 H GLU 84 2.320 0.685 5.882 669 HA GLU 84 HA GLU 84 3.533 -0.584 8.297 670 HB2 GLU 84 HB2 GLU 84 0.834 -0.783 6.916 671 HB3 GLU 84 HB3 GLU 84 1.432 -2.144 7.841 672 HG2 GLU 84 HG2 GLU 84 1.245 0.662 9.032 673 HG3 GLU 84 HG3 GLU 84 -0.117 -0.449 8.978 674 H PHE 85 H PHE 85 3.578 -3.155 7.949 675 HA PHE 85 HA PHE 85 5.109 -3.549 5.415 676 HB2 PHE 85 HB2 PHE 85 6.186 -3.176 7.863 677 HB3 PHE 85 HB3 PHE 85 5.860 -4.893 7.986 678 HD1 PHE 85 HD1 PHE 85 8.473 -3.718 8.383 679 HD2 PHE 85 HD2 PHE 85 6.714 -4.989 4.623 680 HE1 PHE 85 HE1 PHE 85 10.705 -4.034 7.412 681 HE2 PHE 85 HE2 PHE 85 8.928 -5.475 3.778 682 HZ PHE 85 HZ PHE 85 10.962 -4.976 5.120 683 H ALA 86 H ALA 86 4.715 -5.518 4.366 684 HA ALA 86 HA ALA 86 2.619 -7.250 5.585 685 HB1 ALA 86 HB1 ALA 86 2.283 -8.154 3.345 686 HB2 ALA 86 HB2 ALA 86 2.018 -6.414 3.338 687 HB3 ALA 86 HB3 ALA 86 3.523 -7.067 2.726 688 H LYS 87 H LYS 87 4.042 -8.278 7.008 689 HA LYS 87 HA LYS 87 5.886 -10.304 5.980 690 HB2 LYS 87 HB2 LYS 87 5.260 -11.532 8.072 691 HB3 LYS 87 HB3 LYS 87 5.844 -9.895 8.388 692 HG2 LYS 87 HG2 LYS 87 3.594 -9.076 8.762 693 HG3 LYS 87 HG3 LYS 87 2.884 -10.637 8.292 694 HD2 LYS 87 HD2 LYS 87 3.729 -11.738 10.198 695 HD3 LYS 87 HD3 LYS 87 4.864 -10.436 10.571 696 HE2 LYS 87 HE2 LYS 87 2.916 -8.902 10.973 697 HE3 LYS 87 HE3 LYS 87 1.819 -10.269 10.697 698 HZ1 LYS 87 HZ1 LYS 87 3.812 -10.041 12.844 699 HZ2 LYS 87 HZ2 LYS 87 2.840 -11.364 12.593 700 HZ3 LYS 87 HZ3 LYS 87 2.174 -9.906 12.998 701 H GLY 88 H GLY 88 5.150 -12.619 5.708 702 HA2 GLY 88 HA2 GLY 88 2.503 -12.864 4.450 703 HA3 GLY 88 HA3 GLY 88 3.691 -14.152 4.725 704 H SER 89 H SER 89 3.829 -15.127 6.781 705 HA SER 89 HA SER 89 1.536 -14.598 8.601 706 HB2 SER 89 HB2 SER 89 1.352 -17.058 8.803 707 HB3 SER 89 HB3 SER 89 0.916 -16.393 7.234 708 HG SER 89 HG SER 89 3.090 -16.991 6.507 Start of MODEL 15 1 H1 GLY 1 H GLY 1 11.286 -11.973 8.125 2 HA2 GLY 1 HA2 GLY 1 8.357 -11.687 7.747 3 HA3 GLY 1 HA3 GLY 1 9.411 -10.438 8.468 4 H HIS 2 H HIS 2 8.322 -9.220 6.673 5 HA HIS 2 HA HIS 2 8.282 -8.197 4.681 6 HB2 HIS 2 HB2 HIS 2 11.278 -8.628 4.629 7 HB3 HIS 2 HB3 HIS 2 10.372 -7.304 3.928 8 HD1 HIS 2 HD1 HIS 2 9.063 -7.353 7.343 9 HD2 HIS 2 HD2 HIS 2 12.726 -6.462 5.475 10 HE1 HIS 2 HE1 HIS 2 10.423 -6.024 9.033 11 H MET 3 H MET 3 7.188 -10.307 3.822 12 HA MET 3 HA MET 3 8.940 -12.269 2.696 13 HB2 MET 3 HB2 MET 3 6.713 -12.776 3.603 14 HB3 MET 3 HB3 MET 3 5.954 -12.008 2.199 15 HG2 MET 3 HG2 MET 3 7.994 -14.246 1.919 16 HG3 MET 3 HG3 MET 3 6.304 -14.595 2.252 17 HE1 MET 3 HE1 MET 3 8.823 -14.592 -0.368 18 HE2 MET 3 HE2 MET 3 7.672 -15.946 -0.246 19 HE3 MET 3 HE3 MET 3 7.759 -14.979 -1.731 20 H ASP 4 H ASP 4 7.132 -9.709 1.160 21 HA ASP 4 HA ASP 4 8.742 -8.776 -0.745 22 HB2 ASP 4 HB2 ASP 4 8.952 -10.974 -1.854 23 HB3 ASP 4 HB3 ASP 4 7.194 -11.016 -2.045 24 H THR 5 H THR 5 6.593 -7.995 0.979 25 HA THR 5 HA THR 5 4.812 -6.599 -0.827 26 HB THR 5 HB THR 5 3.717 -8.571 1.219 27 HG1 THR 5 HG1 THR 5 4.056 -9.815 -0.427 28 HG21 THR 5 HG21 THR 5 1.487 -8.105 0.369 29 HG22 THR 5 HG22 THR 5 2.109 -6.866 -0.710 30 HG23 THR 5 HG23 THR 5 2.182 -6.641 1.054 31 H ILE 6 H ILE 6 3.795 -4.808 0.220 32 HA ILE 6 HA ILE 6 4.612 -4.224 3.026 33 HB ILE 6 HB ILE 6 4.381 -2.253 0.722 34 HG12 ILE 6 HG12 ILE 6 6.864 -3.244 2.204 35 HG13 ILE 6 HG13 ILE 6 6.442 -3.632 0.540 36 HG21 ILE 6 HG21 ILE 6 5.336 -1.785 3.580 37 HG22 ILE 6 HG22 ILE 6 5.229 -0.578 2.294 38 HG23 ILE 6 HG23 ILE 6 3.751 -1.260 2.932 39 HD11 ILE 6 HD11 ILE 6 6.523 -1.146 0.032 40 HD12 ILE 6 HD12 ILE 6 7.292 -0.929 1.635 41 HD13 ILE 6 HD13 ILE 6 8.065 -1.915 0.402 42 H ILE 7 H ILE 7 2.999 -2.938 4.175 43 HA ILE 7 HA ILE 7 0.269 -3.290 3.141 44 HB ILE 7 HB ILE 7 1.148 -3.312 6.030 45 HG12 ILE 7 HG12 ILE 7 0.121 -5.471 4.152 46 HG13 ILE 7 HG13 ILE 7 1.660 -5.398 4.985 47 HG21 ILE 7 HG21 ILE 7 -1.636 -3.506 4.823 48 HG22 ILE 7 HG22 ILE 7 -1.231 -3.651 6.556 49 HG23 ILE 7 HG23 ILE 7 -0.994 -2.111 5.742 50 HD11 ILE 7 HD11 ILE 7 0.444 -5.621 7.178 51 HD12 ILE 7 HD12 ILE 7 -1.057 -5.888 6.247 52 HD13 ILE 7 HD13 ILE 7 0.288 -7.023 6.091 53 H LEU 8 H LEU 8 -0.516 -1.474 2.489 54 HA LEU 8 HA LEU 8 0.473 1.178 3.428 55 HB2 LEU 8 HB2 LEU 8 -1.978 0.612 1.701 56 HB3 LEU 8 HB3 LEU 8 -1.080 2.099 1.919 57 HG LEU 8 HG LEU 8 -0.412 -0.315 0.263 58 HD11 LEU 8 HD11 LEU 8 -1.728 1.499 -0.725 59 HD12 LEU 8 HD12 LEU 8 -0.155 1.408 -1.510 60 HD13 LEU 8 HD13 LEU 8 -0.423 2.672 -0.328 61 HD21 LEU 8 HD21 LEU 8 1.634 1.726 1.186 62 HD22 LEU 8 HD22 LEU 8 1.819 0.793 -0.322 63 HD23 LEU 8 HD23 LEU 8 1.738 -0.043 1.221 64 H ARG 9 H ARG 9 -0.212 1.447 5.648 65 HA ARG 9 HA ARG 9 -2.884 0.507 6.427 66 HB2 ARG 9 HB2 ARG 9 -0.532 1.174 7.833 67 HB3 ARG 9 HB3 ARG 9 -1.585 2.582 8.069 68 HG2 ARG 9 HG2 ARG 9 -3.420 0.976 8.754 69 HG3 ARG 9 HG3 ARG 9 -2.165 -0.288 8.697 70 HD2 ARG 9 HD2 ARG 9 -0.927 0.752 10.486 71 HD3 ARG 9 HD3 ARG 9 -1.836 2.266 10.324 72 HE ARG 9 HE ARG 9 -3.542 0.030 10.993 73 HH11 ARG 9 HH11 ARG 9 -1.056 2.051 12.556 74 HH12 ARG 9 HH12 ARG 9 -1.998 2.332 13.974 75 HH21 ARG 9 HH21 ARG 9 -4.756 0.321 12.980 76 HH22 ARG 9 HH22 ARG 9 -4.079 1.263 14.243 77 H ASN 10 H ASN 10 -4.109 2.616 7.646 78 HA ASN 10 HA ASN 10 -5.209 4.485 7.410 79 HB2 ASN 10 HB2 ASN 10 -2.561 4.940 7.622 80 HB3 ASN 10 HB3 ASN 10 -2.850 5.750 6.080 81 HD21 ASN 10 HD21 ASN 10 -2.067 6.798 8.648 82 HD22 ASN 10 HD22 ASN 10 -3.266 7.961 9.048 83 H LEU 11 H LEU 11 -6.088 2.822 5.459 84 HA LEU 11 HA LEU 11 -6.205 4.451 2.992 85 HB2 LEU 11 HB2 LEU 11 -6.898 1.590 3.636 86 HB3 LEU 11 HB3 LEU 11 -7.782 2.319 2.349 87 HG LEU 11 HG LEU 11 -5.676 1.017 1.670 88 HD11 LEU 11 HD11 LEU 11 -5.085 2.533 -0.071 89 HD12 LEU 11 HD12 LEU 11 -5.632 3.938 0.851 90 HD13 LEU 11 HD13 LEU 11 -6.812 2.756 0.221 91 HD21 LEU 11 HD21 LEU 11 -4.279 1.707 3.517 92 HD22 LEU 11 HD22 LEU 11 -4.164 3.327 2.826 93 HD23 LEU 11 HD23 LEU 11 -3.566 1.935 1.915 94 H ASN 12 H ASN 12 -8.484 4.330 1.897 95 HA ASN 12 HA ASN 12 -10.500 5.445 3.780 96 HB2 ASN 12 HB2 ASN 12 -9.078 7.080 2.183 97 HB3 ASN 12 HB3 ASN 12 -10.146 6.482 0.946 98 HD21 ASN 12 HD21 ASN 12 -11.265 8.479 0.632 99 HD22 ASN 12 HD22 ASN 12 -12.320 9.140 1.864 100 HA PRO 13 HA PRO 13 -13.015 2.617 1.318 101 HB2 PRO 13 HB2 PRO 13 -15.481 3.974 1.323 102 HB3 PRO 13 HB3 PRO 13 -14.881 2.947 2.640 103 HG2 PRO 13 HG2 PRO 13 -14.718 5.957 2.376 104 HG3 PRO 13 HG3 PRO 13 -15.155 4.965 3.806 105 HD2 PRO 13 HD2 PRO 13 -12.666 5.968 3.559 106 HD3 PRO 13 HD3 PRO 13 -12.910 4.302 4.170 107 H HIS 14 H HIS 14 -13.050 6.062 0.404 108 HA HIS 14 HA HIS 14 -14.059 5.363 -2.274 109 HB2 HIS 14 HB2 HIS 14 -13.927 8.009 -0.795 110 HB3 HIS 14 HB3 HIS 14 -14.692 7.729 -2.361 111 HD1 HIS 14 HD1 HIS 14 -16.674 5.623 -2.190 112 HD2 HIS 14 HD2 HIS 14 -15.678 8.009 1.130 113 HE1 HIS 14 HE1 HIS 14 -18.653 5.460 -0.552 114 H SER 15 H SER 15 -11.014 5.371 -1.325 115 HA SER 15 HA SER 15 -9.835 7.543 -2.724 116 HB2 SER 15 HB2 SER 15 -7.741 6.166 -2.346 117 HB3 SER 15 HB3 SER 15 -8.683 6.528 -0.910 118 HG SER 15 HG SER 15 -9.097 4.098 -2.268 119 H THR 16 H THR 16 -7.892 6.863 -4.274 120 HA THR 16 HA THR 16 -8.975 5.708 -6.731 121 HB THR 16 HB THR 16 -7.146 7.527 -7.483 122 HG1 THR 16 HG1 THR 16 -7.451 9.339 -5.818 123 HG21 THR 16 HG21 THR 16 -9.513 7.654 -8.039 124 HG22 THR 16 HG22 THR 16 -8.895 9.245 -7.577 125 HG23 THR 16 HG23 THR 16 -9.888 8.307 -6.423 126 H MET 17 H MET 17 -8.057 3.577 -6.503 127 HA MET 17 HA MET 17 -5.628 3.116 -5.117 128 HB2 MET 17 HB2 MET 17 -5.614 0.903 -6.046 129 HB3 MET 17 HB3 MET 17 -7.277 1.343 -5.641 130 HG2 MET 17 HG2 MET 17 -7.702 1.898 -8.035 131 HG3 MET 17 HG3 MET 17 -6.015 1.474 -8.394 132 HE1 MET 17 HE1 MET 17 -8.591 0.253 -9.961 133 HE2 MET 17 HE2 MET 17 -6.869 0.035 -10.327 134 HE3 MET 17 HE3 MET 17 -7.921 -1.384 -10.178 135 H ASP 18 H ASP 18 -6.166 4.156 -8.404 136 HA ASP 18 HA ASP 18 -3.588 3.632 -9.549 137 HB2 ASP 18 HB2 ASP 18 -5.519 4.070 -10.941 138 HB3 ASP 18 HB3 ASP 18 -5.820 5.583 -10.104 139 H SER 19 H SER 19 -4.981 6.522 -7.773 140 HA SER 19 HA SER 19 -2.525 8.029 -8.116 141 HB2 SER 19 HB2 SER 19 -4.848 8.413 -6.191 142 HB3 SER 19 HB3 SER 19 -3.555 9.580 -6.513 143 HG SER 19 HG SER 19 -4.204 9.558 -8.726 144 H ILE 20 H ILE 20 -3.942 5.874 -5.660 145 HA ILE 20 HA ILE 20 -1.917 6.135 -3.652 146 HB ILE 20 HB ILE 20 -3.685 3.817 -4.346 147 HG12 ILE 20 HG12 ILE 20 -4.033 5.743 -2.031 148 HG13 ILE 20 HG13 ILE 20 -4.783 6.048 -3.575 149 HG21 ILE 20 HG21 ILE 20 -1.882 4.286 -1.955 150 HG22 ILE 20 HG22 ILE 20 -3.139 3.006 -2.040 151 HG23 ILE 20 HG23 ILE 20 -1.770 2.973 -3.133 152 HD11 ILE 20 HD11 ILE 20 -5.274 3.341 -2.349 153 HD12 ILE 20 HD12 ILE 20 -6.080 4.759 -1.679 154 HD13 ILE 20 HD13 ILE 20 -6.311 4.329 -3.382 155 H LEU 21 H LEU 21 -2.032 4.029 -6.630 156 HA LEU 21 HA LEU 21 0.370 2.669 -6.068 157 HB2 LEU 21 HB2 LEU 21 -1.059 3.392 -8.652 158 HB3 LEU 21 HB3 LEU 21 0.557 2.730 -8.723 159 HG LEU 21 HG LEU 21 -1.791 1.332 -7.376 160 HD11 LEU 21 HD11 LEU 21 -1.776 -0.118 -9.357 161 HD12 LEU 21 HD12 LEU 21 -0.502 0.885 -10.095 162 HD13 LEU 21 HD13 LEU 21 -2.119 1.553 -9.801 163 HD21 LEU 21 HD21 LEU 21 1.096 0.533 -7.978 164 HD22 LEU 21 HD22 LEU 21 -0.161 -0.646 -7.598 165 HD23 LEU 21 HD23 LEU 21 0.286 0.570 -6.397 166 H GLY 22 H GLY 22 0.004 5.748 -8.026 167 HA2 GLY 22 HA2 GLY 22 2.871 5.889 -8.169 168 HA3 GLY 22 HA3 GLY 22 1.771 7.223 -8.548 169 H ALA 23 H ALA 23 0.605 6.889 -5.664 170 HA ALA 23 HA ALA 23 2.399 8.748 -4.348 171 HB1 ALA 23 HB1 ALA 23 0.751 8.709 -2.555 172 HB2 ALA 23 HB2 ALA 23 -0.046 8.921 -4.119 173 HB3 ALA 23 HB3 ALA 23 -0.074 7.334 -3.307 174 H LEU 24 H LEU 24 2.002 5.236 -4.239 175 HA LEU 24 HA LEU 24 3.983 5.144 -2.017 176 HB2 LEU 24 HB2 LEU 24 1.160 4.753 -1.771 177 HB3 LEU 24 HB3 LEU 24 1.839 3.150 -1.747 178 HG LEU 24 HG LEU 24 1.638 3.909 0.480 179 HD11 LEU 24 HD11 LEU 24 3.863 3.845 1.427 180 HD12 LEU 24 HD12 LEU 24 4.598 4.217 -0.136 181 HD13 LEU 24 HD13 LEU 24 3.732 2.681 0.104 182 HD21 LEU 24 HD21 LEU 24 1.531 6.365 -0.040 183 HD22 LEU 24 HD22 LEU 24 3.302 6.376 -0.085 184 HD23 LEU 24 HD23 LEU 24 2.470 5.948 1.408 185 H ALA 25 H ALA 25 3.652 4.208 -5.092 186 HA ALA 25 HA ALA 25 5.497 1.947 -4.620 187 HB1 ALA 25 HB1 ALA 25 3.243 0.999 -5.015 188 HB2 ALA 25 HB2 ALA 25 3.161 1.898 -6.561 189 HB3 ALA 25 HB3 ALA 25 4.374 0.626 -6.342 190 HA PRO 26 HA PRO 26 6.657 5.169 -7.926 191 HB2 PRO 26 HB2 PRO 26 9.007 6.075 -6.717 192 HB3 PRO 26 HB3 PRO 26 7.420 6.874 -6.596 193 HG2 PRO 26 HG2 PRO 26 8.754 5.018 -4.651 194 HG3 PRO 26 HG3 PRO 26 7.796 6.495 -4.317 195 HD2 PRO 26 HD2 PRO 26 6.715 3.977 -4.065 196 HD3 PRO 26 HD3 PRO 26 5.779 5.383 -4.661 197 H TYR 27 H TYR 27 8.214 2.469 -6.422 198 HA TYR 27 HA TYR 27 10.245 2.283 -8.624 199 HB2 TYR 27 HB2 TYR 27 10.292 1.232 -5.765 200 HB3 TYR 27 HB3 TYR 27 11.514 0.899 -6.966 201 HD1 TYR 27 HD1 TYR 27 10.169 3.350 -4.647 202 HD2 TYR 27 HD2 TYR 27 13.179 2.602 -7.615 203 HE1 TYR 27 HE1 TYR 27 11.389 5.371 -3.915 204 HE2 TYR 27 HE2 TYR 27 14.490 4.525 -6.794 205 HH TYR 27 HH TYR 27 14.407 6.497 -5.429 206 H ALA 28 H ALA 28 7.583 0.697 -7.017 207 HA ALA 28 HA ALA 28 8.468 -2.010 -7.590 208 HB1 ALA 28 HB1 ALA 28 6.438 -2.708 -6.490 209 HB2 ALA 28 HB2 ALA 28 7.174 -1.407 -5.546 210 HB3 ALA 28 HB3 ALA 28 5.763 -1.067 -6.581 211 H VAL 29 H VAL 29 7.659 -3.496 -8.997 212 HA VAL 29 HA VAL 29 6.858 -2.297 -11.533 213 HB VAL 29 HB VAL 29 7.736 -5.157 -10.958 214 HG11 VAL 29 HG11 VAL 29 7.807 -3.441 -13.486 215 HG12 VAL 29 HG12 VAL 29 8.379 -5.119 -13.348 216 HG13 VAL 29 HG13 VAL 29 6.661 -4.757 -13.172 217 HG21 VAL 29 HG21 VAL 29 9.425 -2.722 -11.638 218 HG22 VAL 29 HG22 VAL 29 9.531 -3.700 -10.157 219 HG23 VAL 29 HG23 VAL 29 9.992 -4.403 -11.704 220 H LEU 30 H LEU 30 4.746 -1.875 -10.513 221 HA LEU 30 HA LEU 30 2.857 -4.203 -10.725 222 HB2 LEU 30 HB2 LEU 30 2.164 -1.946 -8.947 223 HB3 LEU 30 HB3 LEU 30 1.738 -3.628 -8.811 224 HG LEU 30 HG LEU 30 4.448 -2.410 -8.144 225 HD11 LEU 30 HD11 LEU 30 2.191 -3.281 -6.312 226 HD12 LEU 30 HD12 LEU 30 2.658 -1.600 -6.690 227 HD13 LEU 30 HD13 LEU 30 3.780 -2.651 -5.824 228 HD21 LEU 30 HD21 LEU 30 4.503 -4.929 -8.672 229 HD22 LEU 30 HD22 LEU 30 3.432 -5.140 -7.281 230 HD23 LEU 30 HD23 LEU 30 5.048 -4.473 -7.068 231 H SER 31 H SER 31 0.579 -3.529 -11.020 232 HA SER 31 HA SER 31 -0.042 -0.787 -11.569 233 HB2 SER 31 HB2 SER 31 -0.632 -2.683 -13.869 234 HB3 SER 31 HB3 SER 31 -1.045 -0.988 -13.737 235 HG SER 31 HG SER 31 1.413 -0.768 -13.494 236 H SER 32 H SER 32 -1.117 -4.206 -11.499 237 HA SER 32 HA SER 32 -3.703 -3.323 -10.341 238 HB2 SER 32 HB2 SER 32 -4.665 -5.033 -12.076 239 HB3 SER 32 HB3 SER 32 -4.321 -3.367 -12.598 240 HG SER 32 HG SER 32 -3.537 -4.983 -14.047 241 H SER 33 H SER 33 -2.129 -6.360 -11.561 242 HA SER 33 HA SER 33 -3.562 -8.136 -10.003 243 HB2 SER 33 HB2 SER 33 -0.643 -8.341 -10.889 244 HB3 SER 33 HB3 SER 33 -1.676 -9.689 -10.381 245 HG SER 33 HG SER 33 -2.075 -9.813 -12.378 246 H ASN 34 H ASN 34 -0.968 -6.118 -8.966 247 HA ASN 34 HA ASN 34 -0.545 -7.649 -6.430 248 HB2 ASN 34 HB2 ASN 34 0.947 -5.284 -7.604 249 HB3 ASN 34 HB3 ASN 34 1.381 -6.155 -6.147 250 HD21 ASN 34 HD21 ASN 34 2.151 -5.934 -9.400 251 HD22 ASN 34 HD22 ASN 34 3.002 -7.436 -9.468 252 H VAL 35 H VAL 35 -2.895 -5.586 -7.193 253 HA VAL 35 HA VAL 35 -2.553 -3.814 -4.822 254 HB VAL 35 HB VAL 35 -4.084 -3.293 -7.406 255 HG11 VAL 35 HG11 VAL 35 -4.145 -0.966 -6.581 256 HG12 VAL 35 HG12 VAL 35 -4.983 -2.058 -5.472 257 HG13 VAL 35 HG13 VAL 35 -3.356 -1.474 -5.073 258 HG21 VAL 35 HG21 VAL 35 -2.271 -1.663 -7.877 259 HG22 VAL 35 HG22 VAL 35 -1.337 -2.338 -6.515 260 HG23 VAL 35 HG23 VAL 35 -1.710 -3.329 -7.946 261 H ARG 36 H ARG 36 -3.748 -4.698 -3.155 262 HA ARG 36 HA ARG 36 -6.617 -5.012 -3.766 263 HB2 ARG 36 HB2 ARG 36 -5.477 -7.269 -3.901 264 HB3 ARG 36 HB3 ARG 36 -4.993 -7.101 -2.224 265 HG2 ARG 36 HG2 ARG 36 -7.019 -8.528 -2.589 266 HG3 ARG 36 HG3 ARG 36 -7.289 -7.197 -1.474 267 HD2 ARG 36 HD2 ARG 36 -9.175 -7.553 -3.043 268 HD3 ARG 36 HD3 ARG 36 -8.504 -5.929 -3.113 269 HE ARG 36 HE ARG 36 -7.350 -7.808 -5.026 270 HH11 ARG 36 HH11 ARG 36 -9.858 -5.275 -4.632 271 HH12 ARG 36 HH12 ARG 36 -10.320 -5.352 -6.302 272 HH21 ARG 36 HH21 ARG 36 -7.686 -7.513 -7.225 273 HH22 ARG 36 HH22 ARG 36 -9.085 -6.714 -7.824 274 H VAL 37 H VAL 37 -7.704 -3.678 -2.377 275 HA VAL 37 HA VAL 37 -6.446 -3.057 0.226 276 HB VAL 37 HB VAL 37 -8.912 -1.707 -0.748 277 HG11 VAL 37 HG11 VAL 37 -8.066 -1.193 1.514 278 HG12 VAL 37 HG12 VAL 37 -6.471 -0.879 0.867 279 HG13 VAL 37 HG13 VAL 37 -7.785 0.225 0.472 280 HG21 VAL 37 HG21 VAL 37 -7.520 -1.422 -2.726 281 HG22 VAL 37 HG22 VAL 37 -7.655 0.078 -1.814 282 HG23 VAL 37 HG23 VAL 37 -6.153 -0.876 -1.718 283 H ILE 38 H ILE 38 -7.586 -5.632 -0.322 284 HA ILE 38 HA ILE 38 -9.157 -7.169 0.280 285 HB ILE 38 HB ILE 38 -8.966 -5.896 3.001 286 HG12 ILE 38 HG12 ILE 38 -6.692 -5.635 2.263 287 HG13 ILE 38 HG13 ILE 38 -6.842 -6.865 3.487 288 HG21 ILE 38 HG21 ILE 38 -8.815 -8.255 3.738 289 HG22 ILE 38 HG22 ILE 38 -10.275 -7.971 2.768 290 HG23 ILE 38 HG23 ILE 38 -8.884 -8.798 2.049 291 HD11 ILE 38 HD11 ILE 38 -5.241 -7.539 1.781 292 HD12 ILE 38 HD12 ILE 38 -6.613 -8.650 1.799 293 HD13 ILE 38 HD13 ILE 38 -6.471 -7.417 0.524 294 H LYS 39 H LYS 39 -10.601 -5.489 -1.099 295 HA LYS 39 HA LYS 39 -12.401 -3.839 0.291 296 HB2 LYS 39 HB2 LYS 39 -13.636 -3.684 -1.859 297 HB3 LYS 39 HB3 LYS 39 -11.918 -3.397 -2.000 298 HG2 LYS 39 HG2 LYS 39 -12.320 -4.638 -3.865 299 HG3 LYS 39 HG3 LYS 39 -11.886 -5.889 -2.719 300 HD2 LYS 39 HD2 LYS 39 -14.295 -6.373 -2.350 301 HD3 LYS 39 HD3 LYS 39 -14.726 -5.157 -3.546 302 HE2 LYS 39 HE2 LYS 39 -13.878 -6.453 -5.320 303 HE3 LYS 39 HE3 LYS 39 -12.816 -7.379 -4.259 304 HZ1 LYS 39 HZ1 LYS 39 -14.589 -8.773 -4.898 305 HZ2 LYS 39 HZ2 LYS 39 -15.756 -7.713 -4.448 306 HZ3 LYS 39 HZ3 LYS 39 -14.783 -8.429 -3.315 307 H ASP 40 H ASP 40 -14.583 -3.983 0.816 308 HA ASP 40 HA ASP 40 -15.356 -6.508 1.831 309 HB2 ASP 40 HB2 ASP 40 -16.193 -4.079 2.473 310 HB3 ASP 40 HB3 ASP 40 -17.424 -4.370 1.242 311 H LYS 41 H LYS 41 -17.521 -7.574 1.365 312 HA LYS 41 HA LYS 41 -18.164 -7.689 -1.587 313 HB2 LYS 41 HB2 LYS 41 -19.523 -9.702 -0.823 314 HB3 LYS 41 HB3 LYS 41 -17.769 -9.927 -0.923 315 HG2 LYS 41 HG2 LYS 41 -18.962 -9.141 1.729 316 HG3 LYS 41 HG3 LYS 41 -19.302 -10.765 1.140 317 HD2 LYS 41 HD2 LYS 41 -16.451 -9.711 1.283 318 HD3 LYS 41 HD3 LYS 41 -17.254 -10.488 2.664 319 HE2 LYS 41 HE2 LYS 41 -17.666 -12.511 1.360 320 HE3 LYS 41 HE3 LYS 41 -17.009 -11.759 -0.090 321 HZ1 LYS 41 HZ1 LYS 41 -15.453 -13.215 0.966 322 HZ2 LYS 41 HZ2 LYS 41 -15.428 -12.359 2.350 323 HZ3 LYS 41 HZ3 LYS 41 -14.847 -11.693 0.955 324 H GLN 42 H GLN 42 -19.584 -6.961 1.573 325 HA GLN 42 HA GLN 42 -22.264 -6.751 0.515 326 HB2 GLN 42 HB2 GLN 42 -20.998 -5.343 2.901 327 HB3 GLN 42 HB3 GLN 42 -22.675 -5.147 2.420 328 HG2 GLN 42 HG2 GLN 42 -22.595 -6.752 4.202 329 HG3 GLN 42 HG3 GLN 42 -23.093 -7.563 2.723 330 HE21 GLN 42 HE21 GLN 42 -19.787 -6.680 4.033 331 HE22 GLN 42 HE22 GLN 42 -19.215 -8.319 4.010 332 H THR 43 H THR 43 -20.015 -4.080 1.331 333 HA THR 43 HA THR 43 -21.446 -2.370 -0.548 334 HB THR 43 HB THR 43 -21.225 -1.779 1.819 335 HG1 THR 43 HG1 THR 43 -20.532 0.298 1.573 336 HG21 THR 43 HG21 THR 43 -18.240 -1.716 1.388 337 HG22 THR 43 HG22 THR 43 -19.144 -2.828 2.422 338 HG23 THR 43 HG23 THR 43 -19.109 -1.124 2.827 339 H GLN 44 H GLN 44 -18.469 -4.084 -0.603 340 HA GLN 44 HA GLN 44 -16.443 -3.840 -1.568 341 HB2 GLN 44 HB2 GLN 44 -17.829 -2.587 -3.932 342 HB3 GLN 44 HB3 GLN 44 -16.243 -3.341 -3.882 343 HG2 GLN 44 HG2 GLN 44 -17.376 -5.111 -4.758 344 HG3 GLN 44 HG3 GLN 44 -17.681 -5.482 -3.074 345 HE21 GLN 44 HE21 GLN 44 -19.881 -5.833 -2.565 346 HE22 GLN 44 HE22 GLN 44 -21.162 -5.056 -3.406 347 H LEU 45 H LEU 45 -16.392 -2.275 0.281 348 HA LEU 45 HA LEU 45 -15.145 0.204 -0.777 349 HB2 LEU 45 HB2 LEU 45 -16.357 -0.304 1.986 350 HB3 LEU 45 HB3 LEU 45 -15.441 1.124 1.516 351 HG LEU 45 HG LEU 45 -18.070 0.250 0.260 352 HD11 LEU 45 HD11 LEU 45 -19.039 2.221 1.364 353 HD12 LEU 45 HD12 LEU 45 -17.500 2.507 2.215 354 HD13 LEU 45 HD13 LEU 45 -18.460 1.027 2.516 355 HD21 LEU 45 HD21 LEU 45 -16.302 2.623 -0.312 356 HD22 LEU 45 HD22 LEU 45 -18.024 2.540 -0.769 357 HD23 LEU 45 HD23 LEU 45 -16.906 1.333 -1.392 358 H ASN 46 H ASN 46 -13.172 0.684 0.295 359 HA ASN 46 HA ASN 46 -11.452 -1.597 0.473 360 HB2 ASN 46 HB2 ASN 46 -11.095 1.296 1.353 361 HB3 ASN 46 HB3 ASN 46 -9.805 0.127 1.306 362 HD21 ASN 46 HD21 ASN 46 -9.917 2.602 -0.143 363 HD22 ASN 46 HD22 ASN 46 -9.815 2.220 -1.846 364 H ARG 47 H ARG 47 -10.481 -2.584 2.413 365 HA ARG 47 HA ARG 47 -12.168 -2.439 4.763 366 HB2 ARG 47 HB2 ARG 47 -9.893 -4.056 3.847 367 HB3 ARG 47 HB3 ARG 47 -9.738 -3.631 5.547 368 HG2 ARG 47 HG2 ARG 47 -12.029 -4.470 5.990 369 HG3 ARG 47 HG3 ARG 47 -12.170 -4.989 4.289 370 HD2 ARG 47 HD2 ARG 47 -10.337 -6.542 4.564 371 HD3 ARG 47 HD3 ARG 47 -9.884 -5.833 6.123 372 HE ARG 47 HE ARG 47 -12.530 -7.148 5.797 373 HH11 ARG 47 HH11 ARG 47 -9.355 -7.130 7.345 374 HH12 ARG 47 HH12 ARG 47 -9.759 -8.273 8.573 375 HH21 ARG 47 HH21 ARG 47 -13.005 -8.880 7.299 376 HH22 ARG 47 HH22 ARG 47 -11.960 -9.163 8.630 377 H GLY 48 H GLY 48 -8.981 -0.992 4.009 378 HA2 GLY 48 HA2 GLY 48 -8.827 1.195 5.518 379 HA3 GLY 48 HA3 GLY 48 -8.775 -0.012 6.808 380 H PHE 49 H PHE 49 -7.255 -1.822 4.652 381 HA PHE 49 HA PHE 49 -4.726 -0.355 4.480 382 HB2 PHE 49 HB2 PHE 49 -3.606 -2.546 5.226 383 HB3 PHE 49 HB3 PHE 49 -4.280 -1.495 6.454 384 HD1 PHE 49 HD1 PHE 49 -4.862 -4.675 4.586 385 HD2 PHE 49 HD2 PHE 49 -6.074 -2.199 7.892 386 HE1 PHE 49 HE1 PHE 49 -6.099 -6.596 5.592 387 HE2 PHE 49 HE2 PHE 49 -7.336 -4.085 8.860 388 HZ PHE 49 HZ PHE 49 -7.322 -6.301 7.727 389 H ALA 50 H ALA 50 -3.320 -1.241 2.856 390 HA ALA 50 HA ALA 50 -4.640 -3.060 0.900 391 HB1 ALA 50 HB1 ALA 50 -3.752 -1.805 -0.947 392 HB2 ALA 50 HB2 ALA 50 -4.507 -0.581 0.092 393 HB3 ALA 50 HB3 ALA 50 -2.757 -0.806 0.106 394 H PHE 51 H PHE 51 -3.326 -4.523 -0.160 395 HA PHE 51 HA PHE 51 -0.576 -4.879 0.963 396 HB2 PHE 51 HB2 PHE 51 -2.582 -6.805 -0.275 397 HB3 PHE 51 HB3 PHE 51 -0.864 -7.152 -0.227 398 HD1 PHE 51 HD1 PHE 51 -0.369 -8.771 1.398 399 HD2 PHE 51 HD2 PHE 51 -3.260 -5.721 2.299 400 HE1 PHE 51 HE1 PHE 51 -0.608 -9.686 3.669 401 HE2 PHE 51 HE2 PHE 51 -3.513 -6.657 4.605 402 HZ PHE 51 HZ PHE 51 -2.188 -8.649 5.280 403 H ILE 52 H ILE 52 0.993 -4.400 -0.325 404 HA ILE 52 HA ILE 52 0.671 -4.167 -3.284 405 HB ILE 52 HB ILE 52 2.122 -2.329 -1.356 406 HG12 ILE 52 HG12 ILE 52 -0.301 -1.977 -1.236 407 HG13 ILE 52 HG13 ILE 52 0.559 -0.612 -1.923 408 HG21 ILE 52 HG21 ILE 52 3.343 -2.424 -3.469 409 HG22 ILE 52 HG22 ILE 52 1.853 -2.019 -4.353 410 HG23 ILE 52 HG23 ILE 52 2.585 -0.846 -3.239 411 HD11 ILE 52 HD11 ILE 52 -1.617 -1.121 -3.048 412 HD12 ILE 52 HD12 ILE 52 -0.235 -1.101 -4.154 413 HD13 ILE 52 HD13 ILE 52 -0.921 -2.648 -3.630 414 H GLN 53 H GLN 53 2.030 -5.613 -4.298 415 HA GLN 53 HA GLN 53 4.038 -7.108 -2.858 416 HB2 GLN 53 HB2 GLN 53 2.568 -7.888 -4.841 417 HB3 GLN 53 HB3 GLN 53 3.537 -6.814 -5.840 418 HG2 GLN 53 HG2 GLN 53 4.646 -8.680 -6.321 419 HG3 GLN 53 HG3 GLN 53 5.528 -8.324 -4.857 420 HE21 GLN 53 HE21 GLN 53 5.177 -9.628 -2.965 421 HE22 GLN 53 HE22 GLN 53 4.314 -11.163 -3.090 422 H LEU 54 H LEU 54 6.295 -7.135 -3.545 423 HA LEU 54 HA LEU 54 7.377 -4.620 -4.629 424 HB2 LEU 54 HB2 LEU 54 7.764 -5.961 -2.060 425 HB3 LEU 54 HB3 LEU 54 9.258 -6.064 -2.931 426 HG LEU 54 HG LEU 54 9.172 -4.098 -1.563 427 HD11 LEU 54 HD11 LEU 54 9.062 -3.156 -4.438 428 HD12 LEU 54 HD12 LEU 54 10.358 -4.166 -3.758 429 HD13 LEU 54 HD13 LEU 54 10.060 -2.565 -3.091 430 HD21 LEU 54 HD21 LEU 54 6.636 -3.800 -1.736 431 HD22 LEU 54 HD22 LEU 54 6.902 -3.009 -3.283 432 HD23 LEU 54 HD23 LEU 54 7.594 -2.298 -1.828 433 H SER 55 H SER 55 9.849 -5.160 -5.121 434 HA SER 55 HA SER 55 9.990 -7.303 -7.083 435 HB2 SER 55 HB2 SER 55 11.994 -5.244 -6.092 436 HB3 SER 55 HB3 SER 55 12.247 -6.374 -7.433 437 HG SER 55 HG SER 55 11.522 -4.339 -8.142 438 H THR 56 H THR 56 11.427 -6.661 -3.805 439 HA THR 56 HA THR 56 11.631 -9.462 -3.422 440 HB THR 56 HB THR 56 14.154 -9.183 -2.620 441 HG1 THR 56 HG1 THR 56 14.302 -7.575 -4.917 442 HG21 THR 56 HG21 THR 56 14.980 -10.291 -4.422 443 HG22 THR 56 HG22 THR 56 13.747 -9.691 -5.543 444 HG23 THR 56 HG23 THR 56 13.299 -10.823 -4.233 445 H ILE 57 H ILE 57 12.671 -9.947 -1.227 446 HA ILE 57 HA ILE 57 11.196 -8.791 0.771 447 HB ILE 57 HB ILE 57 12.571 -9.948 2.366 448 HG12 ILE 57 HG12 ILE 57 14.634 -11.365 1.204 449 HG13 ILE 57 HG13 ILE 57 14.817 -9.851 0.357 450 HG21 ILE 57 HG21 ILE 57 11.179 -11.296 0.976 451 HG22 ILE 57 HG22 ILE 57 12.492 -11.618 -0.182 452 HG23 ILE 57 HG23 ILE 57 12.565 -12.214 1.501 453 HD11 ILE 57 HD11 ILE 57 16.159 -9.897 2.446 454 HD12 ILE 57 HD12 ILE 57 14.868 -8.706 2.657 455 HD13 ILE 57 HD13 ILE 57 14.723 -10.312 3.388 456 H VAL 58 H VAL 58 14.446 -7.911 -0.384 457 HA VAL 58 HA VAL 58 15.157 -6.350 1.927 458 HB VAL 58 HB VAL 58 16.429 -5.938 -0.799 459 HG11 VAL 58 HG11 VAL 58 17.234 -4.649 1.137 460 HG12 VAL 58 HG12 VAL 58 17.514 -6.151 2.039 461 HG13 VAL 58 HG13 VAL 58 18.469 -5.777 0.578 462 HG21 VAL 58 HG21 VAL 58 16.293 -8.367 -0.781 463 HG22 VAL 58 HG22 VAL 58 17.940 -7.858 -0.453 464 HG23 VAL 58 HG23 VAL 58 16.934 -8.415 0.890 465 H GLU 59 H GLU 59 13.870 -5.692 -1.253 466 HA GLU 59 HA GLU 59 14.093 -2.873 -1.306 467 HB2 GLU 59 HB2 GLU 59 12.182 -4.656 -2.806 468 HB3 GLU 59 HB3 GLU 59 12.753 -3.051 -3.309 469 HG2 GLU 59 HG2 GLU 59 14.368 -5.601 -3.007 470 HG3 GLU 59 HG3 GLU 59 13.836 -4.904 -4.529 471 H ALA 60 H ALA 60 11.656 -5.122 -0.074 472 HA ALA 60 HA ALA 60 9.575 -3.251 0.337 473 HB1 ALA 60 HB1 ALA 60 8.671 -4.845 1.928 474 HB2 ALA 60 HB2 ALA 60 9.286 -5.699 0.490 475 HB3 ALA 60 HB3 ALA 60 10.229 -5.698 2.009 476 H ALA 61 H ALA 61 12.527 -3.809 2.218 477 HA ALA 61 HA ALA 61 11.627 -2.027 4.387 478 HB1 ALA 61 HB1 ALA 61 13.279 -3.843 4.819 479 HB2 ALA 61 HB2 ALA 61 14.429 -3.037 3.726 480 HB3 ALA 61 HB3 ALA 61 13.908 -2.230 5.221 481 H GLN 62 H GLN 62 13.622 -1.815 1.439 482 HA GLN 62 HA GLN 62 14.662 0.771 1.831 483 HB2 GLN 62 HB2 GLN 62 14.264 -0.949 -0.519 484 HB3 GLN 62 HB3 GLN 62 14.561 0.745 -0.826 485 HG2 GLN 62 HG2 GLN 62 16.671 0.755 0.079 486 HG3 GLN 62 HG3 GLN 62 16.324 -0.516 1.264 487 HE21 GLN 62 HE21 GLN 62 15.897 -2.737 0.432 488 HE22 GLN 62 HE22 GLN 62 16.521 -3.139 -1.134 489 H LEU 63 H LEU 63 11.764 -0.244 -0.023 490 HA LEU 63 HA LEU 63 10.759 2.378 -0.514 491 HB2 LEU 63 HB2 LEU 63 9.601 -0.409 -0.766 492 HB3 LEU 63 HB3 LEU 63 8.548 0.998 -0.850 493 HG LEU 63 HG LEU 63 9.890 1.984 -2.660 494 HD11 LEU 63 HD11 LEU 63 11.297 -0.718 -2.636 495 HD12 LEU 63 HD12 LEU 63 12.037 0.882 -2.437 496 HD13 LEU 63 HD13 LEU 63 11.359 0.417 -3.989 497 HD21 LEU 63 HD21 LEU 63 8.886 0.488 -4.375 498 HD22 LEU 63 HD22 LEU 63 7.783 0.784 -3.031 499 HD23 LEU 63 HD23 LEU 63 8.653 -0.751 -3.145 500 H LEU 64 H LEU 64 10.913 0.741 2.536 501 HA LEU 64 HA LEU 64 8.538 2.247 3.420 502 HB2 LEU 64 HB2 LEU 64 9.478 -0.222 4.243 503 HB3 LEU 64 HB3 LEU 64 10.369 0.824 5.357 504 HG LEU 64 HG LEU 64 8.122 1.831 6.040 505 HD11 LEU 64 HD11 LEU 64 6.150 0.275 5.585 506 HD12 LEU 64 HD12 LEU 64 7.163 -0.565 4.401 507 HD13 LEU 64 HD13 LEU 64 6.754 1.147 4.143 508 HD21 LEU 64 HD21 LEU 64 8.503 -1.147 6.490 509 HD22 LEU 64 HD22 LEU 64 7.591 -0.020 7.514 510 HD23 LEU 64 HD23 LEU 64 9.347 0.145 7.385 511 H GLN 65 H GLN 65 11.902 2.760 3.160 512 HA GLN 65 HA GLN 65 11.828 4.873 5.279 513 HB2 GLN 65 HB2 GLN 65 14.269 4.552 5.489 514 HB3 GLN 65 HB3 GLN 65 13.284 3.199 5.976 515 HG2 GLN 65 HG2 GLN 65 13.790 2.249 3.575 516 HG3 GLN 65 HG3 GLN 65 15.068 3.440 3.533 517 HE21 GLN 65 HE21 GLN 65 13.762 1.113 6.053 518 HE22 GLN 65 HE22 GLN 65 15.312 0.425 6.433 519 H ILE 66 H ILE 66 13.159 4.114 2.029 520 HA ILE 66 HA ILE 66 14.110 6.695 1.402 521 HB ILE 66 HB ILE 66 12.847 4.588 -0.385 522 HG12 ILE 66 HG12 ILE 66 15.800 5.064 0.191 523 HG13 ILE 66 HG13 ILE 66 14.860 3.790 0.937 524 HG21 ILE 66 HG21 ILE 66 13.950 5.606 -2.267 525 HG22 ILE 66 HG22 ILE 66 12.906 6.784 -1.506 526 HG23 ILE 66 HG23 ILE 66 14.660 6.874 -1.230 527 HD11 ILE 66 HD11 ILE 66 14.325 2.935 -1.410 528 HD12 ILE 66 HD12 ILE 66 15.567 4.061 -2.004 529 HD13 ILE 66 HD13 ILE 66 16.016 2.784 -0.871 530 H LEU 67 H LEU 67 10.818 5.285 0.984 531 HA LEU 67 HA LEU 67 9.846 7.697 -0.246 532 HB2 LEU 67 HB2 LEU 67 8.008 5.720 1.131 533 HB3 LEU 67 HB3 LEU 67 7.717 6.735 -0.280 534 HG LEU 67 HG LEU 67 9.410 4.260 -0.100 535 HD11 LEU 67 HD11 LEU 67 7.761 3.360 -1.739 536 HD12 LEU 67 HD12 LEU 67 6.911 4.929 -1.744 537 HD13 LEU 67 HD13 LEU 67 6.952 3.931 -0.281 538 HD21 LEU 67 HD21 LEU 67 10.607 5.690 -1.641 539 HD22 LEU 67 HD22 LEU 67 9.109 6.170 -2.445 540 HD23 LEU 67 HD23 LEU 67 9.721 4.493 -2.580 541 H GLN 68 H GLN 68 9.593 6.367 3.067 542 HA GLN 68 HA GLN 68 8.020 8.392 4.194 543 HB2 GLN 68 HB2 GLN 68 8.748 6.062 5.059 544 HB3 GLN 68 HB3 GLN 68 10.224 6.865 5.613 545 HG2 GLN 68 HG2 GLN 68 8.494 8.502 6.799 546 HG3 GLN 68 HG3 GLN 68 7.356 7.169 6.536 547 HE21 GLN 68 HE21 GLN 68 7.763 5.114 7.774 548 HE22 GLN 68 HE22 GLN 68 8.896 5.181 9.123 549 H ALA 69 H ALA 69 11.543 8.396 3.498 550 HA ALA 69 HA ALA 69 12.177 10.674 5.123 551 HB1 ALA 69 HB1 ALA 69 14.246 10.710 3.771 552 HB2 ALA 69 HB2 ALA 69 13.874 9.066 4.330 553 HB3 ALA 69 HB3 ALA 69 13.545 9.536 2.644 554 H LEU 70 H LEU 70 10.604 10.372 2.021 555 HA LEU 70 HA LEU 70 11.066 13.210 1.351 556 HB2 LEU 70 HB2 LEU 70 9.710 10.991 -0.240 557 HB3 LEU 70 HB3 LEU 70 10.130 12.601 -0.838 558 HG LEU 70 HG LEU 70 12.086 10.445 0.029 559 HD11 LEU 70 HD11 LEU 70 11.420 11.478 -2.734 560 HD12 LEU 70 HD12 LEU 70 10.986 9.889 -2.066 561 HD13 LEU 70 HD13 LEU 70 12.687 10.297 -2.336 562 HD21 LEU 70 HD21 LEU 70 13.062 12.579 0.524 563 HD22 LEU 70 HD22 LEU 70 12.627 13.212 -1.088 564 HD23 LEU 70 HD23 LEU 70 13.843 11.920 -0.911 565 H HIS 71 H HIS 71 9.077 14.280 0.469 566 HA HIS 71 HA HIS 71 6.634 13.619 2.077 567 HB2 HIS 71 HB2 HIS 71 6.295 16.082 2.302 568 HB3 HIS 71 HB3 HIS 71 7.693 15.436 3.142 569 HD1 HIS 71 HD1 HIS 71 7.562 16.580 -0.584 570 HD2 HIS 71 HD2 HIS 71 9.406 17.335 3.125 571 HE1 HIS 71 HE1 HIS 71 9.369 18.335 -1.034 572 HA PRO 72 HA PRO 72 5.747 14.069 -2.524 573 HB2 PRO 72 HB2 PRO 72 4.439 11.604 -2.861 574 HB3 PRO 72 HB3 PRO 72 6.145 11.953 -3.262 575 HG2 PRO 72 HG2 PRO 72 5.023 10.568 -0.851 576 HG3 PRO 72 HG3 PRO 72 6.559 10.269 -1.720 577 HD2 PRO 72 HD2 PRO 72 6.394 11.650 0.657 578 HD3 PRO 72 HD3 PRO 72 7.657 11.929 -0.583 579 HA PRO 73 HA PRO 73 1.665 15.458 -1.676 580 HB2 PRO 73 HB2 PRO 73 0.264 14.908 -4.029 581 HB3 PRO 73 HB3 PRO 73 1.297 16.312 -3.714 582 HG2 PRO 73 HG2 PRO 73 1.970 13.779 -5.196 583 HG3 PRO 73 HG3 PRO 73 2.487 15.446 -5.571 584 HD2 PRO 73 HD2 PRO 73 4.099 13.621 -4.327 585 HD3 PRO 73 HD3 PRO 73 4.193 15.375 -3.960 586 H LEU 74 H LEU 74 0.816 14.219 -0.082 587 HA LEU 74 HA LEU 74 -0.251 11.571 -0.726 588 HB2 LEU 74 HB2 LEU 74 1.688 12.601 1.144 589 HB3 LEU 74 HB3 LEU 74 0.314 12.213 2.095 590 HG LEU 74 HG LEU 74 1.733 10.383 2.103 591 HD11 LEU 74 HD11 LEU 74 -0.597 9.721 1.948 592 HD12 LEU 74 HD12 LEU 74 0.437 8.555 1.117 593 HD13 LEU 74 HD13 LEU 74 -0.497 9.691 0.151 594 HD21 LEU 74 HD21 LEU 74 2.490 9.112 0.173 595 HD22 LEU 74 HD22 LEU 74 3.073 10.787 0.140 596 HD23 LEU 74 HD23 LEU 74 1.744 10.304 -0.931 597 H THR 75 H THR 75 -1.617 11.070 1.425 598 HA THR 75 HA THR 75 -3.385 11.249 2.715 599 HB THR 75 HB THR 75 -2.981 14.235 2.546 600 HG1 THR 75 HG1 THR 75 -1.280 13.925 4.014 601 HG21 THR 75 HG21 THR 75 -3.898 12.343 4.732 602 HG22 THR 75 HG22 THR 75 -4.776 13.694 4.004 603 HG23 THR 75 HG23 THR 75 -3.395 14.000 5.057 604 H ILE 76 H ILE 76 -4.439 10.480 0.882 605 HA ILE 76 HA ILE 76 -6.094 12.443 -0.655 606 HB ILE 76 HB ILE 76 -6.241 9.422 -0.879 607 HG12 ILE 76 HG12 ILE 76 -4.673 11.379 -2.604 608 HG13 ILE 76 HG13 ILE 76 -3.969 10.355 -1.389 609 HG21 ILE 76 HG21 ILE 76 -8.254 10.639 -1.744 610 HG22 ILE 76 HG22 ILE 76 -7.208 11.549 -2.832 611 HG23 ILE 76 HG23 ILE 76 -7.374 9.787 -3.000 612 HD11 ILE 76 HD11 ILE 76 -3.630 9.111 -3.317 613 HD12 ILE 76 HD12 ILE 76 -5.081 8.367 -2.625 614 HD13 ILE 76 HD13 ILE 76 -5.231 9.506 -3.980 615 H ASP 77 H ASP 77 -7.787 13.407 0.466 616 HA ASP 77 HA ASP 77 -9.645 13.703 1.683 617 HB2 ASP 77 HB2 ASP 77 -10.213 10.746 1.357 618 HB3 ASP 77 HB3 ASP 77 -11.249 11.869 2.205 619 H GLY 78 H GLY 78 -7.052 13.237 2.925 620 HA2 GLY 78 HA2 GLY 78 -6.557 13.949 5.117 621 HA3 GLY 78 HA3 GLY 78 -8.159 13.480 5.625 622 H LYS 79 H LYS 79 -6.608 10.971 3.966 623 HA LYS 79 HA LYS 79 -5.816 9.549 6.469 624 HB2 LYS 79 HB2 LYS 79 -6.112 7.499 5.071 625 HB3 LYS 79 HB3 LYS 79 -7.575 8.334 5.451 626 HG2 LYS 79 HG2 LYS 79 -8.182 8.447 3.367 627 HG3 LYS 79 HG3 LYS 79 -6.762 9.432 3.005 628 HD2 LYS 79 HD2 LYS 79 -5.390 7.384 2.720 629 HD3 LYS 79 HD3 LYS 79 -6.883 6.437 2.797 630 HE2 LYS 79 HE2 LYS 79 -7.759 7.643 0.829 631 HE3 LYS 79 HE3 LYS 79 -6.367 8.727 0.887 632 HZ1 LYS 79 HZ1 LYS 79 -4.947 7.038 0.157 633 HZ2 LYS 79 HZ2 LYS 79 -6.228 7.021 -0.825 634 HZ3 LYS 79 HZ3 LYS 79 -6.088 5.845 0.317 635 H THR 80 H THR 80 -3.646 10.253 6.649 636 HA THR 80 HA THR 80 -1.998 10.357 4.280 637 HB THR 80 HB THR 80 -1.133 10.413 7.211 638 HG1 THR 80 HG1 THR 80 -1.503 12.666 7.058 639 HG21 THR 80 HG21 THR 80 0.711 10.325 5.564 640 HG22 THR 80 HG22 THR 80 0.649 11.918 6.345 641 HG23 THR 80 HG23 THR 80 0.031 11.699 4.702 642 H ILE 81 H ILE 81 -1.629 8.377 3.371 643 HA ILE 81 HA ILE 81 -1.781 5.884 4.346 644 HB ILE 81 HB ILE 81 0.334 6.746 2.329 645 HG12 ILE 81 HG12 ILE 81 -1.779 7.669 1.529 646 HG13 ILE 81 HG13 ILE 81 -1.512 6.172 0.639 647 HG21 ILE 81 HG21 ILE 81 -0.251 4.369 1.497 648 HG22 ILE 81 HG22 ILE 81 0.705 4.481 2.984 649 HG23 ILE 81 HG23 ILE 81 -1.015 4.126 3.085 650 HD11 ILE 81 HD11 ILE 81 -3.798 6.129 1.331 651 HD12 ILE 81 HD12 ILE 81 -3.024 5.123 2.553 652 HD13 ILE 81 HD13 ILE 81 -3.404 6.795 2.920 653 H ASN 82 H ASN 82 -0.889 4.614 5.945 654 HA ASN 82 HA ASN 82 1.703 5.541 7.049 655 HB2 ASN 82 HB2 ASN 82 -0.459 4.516 8.458 656 HB3 ASN 82 HB3 ASN 82 0.544 3.084 8.223 657 HD21 ASN 82 HD21 ASN 82 0.077 4.316 10.860 658 HD22 ASN 82 HD22 ASN 82 1.630 4.914 11.314 659 H VAL 83 H VAL 83 3.268 3.858 7.544 660 HA VAL 83 HA VAL 83 3.611 2.077 5.204 661 HB VAL 83 HB VAL 83 6.033 2.685 5.552 662 HG11 VAL 83 HG11 VAL 83 5.866 4.817 4.422 663 HG12 VAL 83 HG12 VAL 83 4.618 3.734 3.816 664 HG13 VAL 83 HG13 VAL 83 4.185 5.021 4.955 665 HG21 VAL 83 HG21 VAL 83 4.965 4.867 7.388 666 HG22 VAL 83 HG22 VAL 83 6.074 3.554 7.840 667 HG23 VAL 83 HG23 VAL 83 6.569 4.777 6.663 668 H GLU 84 H GLU 84 2.630 0.286 6.128 669 HA GLU 84 HA GLU 84 3.935 -0.906 8.533 670 HB2 GLU 84 HB2 GLU 84 1.203 -1.166 7.212 671 HB3 GLU 84 HB3 GLU 84 1.779 -2.448 8.233 672 HG2 GLU 84 HG2 GLU 84 1.631 0.444 9.243 673 HG3 GLU 84 HG3 GLU 84 0.217 -0.600 9.146 674 H PHE 85 H PHE 85 4.281 -3.303 8.476 675 HA PHE 85 HA PHE 85 5.286 -4.108 5.800 676 HB2 PHE 85 HB2 PHE 85 6.070 -4.711 8.637 677 HB3 PHE 85 HB3 PHE 85 6.272 -5.987 7.454 678 HD1 PHE 85 HD1 PHE 85 8.095 -3.540 9.021 679 HD2 PHE 85 HD2 PHE 85 7.308 -5.082 5.054 680 HE1 PHE 85 HE1 PHE 85 10.370 -2.830 8.255 681 HE2 PHE 85 HE2 PHE 85 9.549 -4.348 4.334 682 HZ PHE 85 HZ PHE 85 11.087 -3.270 5.966 683 H ALA 86 H ALA 86 4.723 -6.016 4.798 684 HA ALA 86 HA ALA 86 2.544 -7.643 5.943 685 HB1 ALA 86 HB1 ALA 86 4.007 -7.930 3.304 686 HB2 ALA 86 HB2 ALA 86 2.546 -8.786 3.812 687 HB3 ALA 86 HB3 ALA 86 2.478 -7.040 3.509 688 H LYS 87 H LYS 87 3.154 -9.190 7.309 689 HA LYS 87 HA LYS 87 5.577 -10.831 6.840 690 HB2 LYS 87 HB2 LYS 87 3.081 -11.420 8.514 691 HB3 LYS 87 HB3 LYS 87 4.565 -12.380 8.424 692 HG2 LYS 87 HG2 LYS 87 5.805 -10.283 9.264 693 HG3 LYS 87 HG3 LYS 87 4.207 -9.615 9.636 694 HD2 LYS 87 HD2 LYS 87 3.792 -11.675 11.085 695 HD3 LYS 87 HD3 LYS 87 5.461 -12.152 10.732 696 HE2 LYS 87 HE2 LYS 87 5.730 -11.043 12.765 697 HE3 LYS 87 HE3 LYS 87 6.127 -9.799 11.579 698 HZ1 LYS 87 HZ1 LYS 87 3.713 -10.092 13.200 699 HZ2 LYS 87 HZ2 LYS 87 3.627 -9.200 11.832 700 HZ3 LYS 87 HZ3 LYS 87 4.648 -8.752 13.035 701 H GLY 88 H GLY 88 5.205 -13.016 5.785 702 HA2 GLY 88 HA2 GLY 88 3.282 -12.680 3.577 703 HA3 GLY 88 HA3 GLY 88 4.535 -13.911 3.740 704 H SER 89 H SER 89 3.347 -14.279 6.650 705 HA SER 89 HA SER 89 2.339 -16.064 7.573 706 HB2 SER 89 HB2 SER 89 0.055 -15.343 5.704 707 HB3 SER 89 HB3 SER 89 -0.040 -16.467 7.065 708 HG SER 89 HG SER 89 -0.688 -14.525 7.836 Start of MODEL 16 1 H1 GLY 1 H GLY 1 11.823 -13.931 0.501 2 HA2 GLY 1 HA2 GLY 1 8.881 -14.214 0.386 3 HA3 GLY 1 HA3 GLY 1 9.975 -15.476 0.985 4 H HIS 2 H HIS 2 7.757 -13.592 2.214 5 HA HIS 2 HA HIS 2 7.370 -12.007 3.771 6 HB2 HIS 2 HB2 HIS 2 9.766 -13.262 5.190 7 HB3 HIS 2 HB3 HIS 2 8.890 -11.886 5.795 8 HD1 HIS 2 HD1 HIS 2 8.614 -15.663 5.714 9 HD2 HIS 2 HD2 HIS 2 6.352 -12.213 6.642 10 HE1 HIS 2 HE1 HIS 2 6.752 -16.408 7.276 11 H MET 3 H MET 3 8.704 -10.083 5.073 12 HA MET 3 HA MET 3 9.587 -8.061 4.749 13 HB2 MET 3 HB2 MET 3 11.802 -10.048 4.227 14 HB3 MET 3 HB3 MET 3 12.154 -8.329 4.153 15 HG2 MET 3 HG2 MET 3 11.294 -7.958 6.381 16 HG3 MET 3 HG3 MET 3 10.837 -9.658 6.533 17 HE1 MET 3 HE1 MET 3 13.924 -8.958 8.996 18 HE2 MET 3 HE2 MET 3 12.838 -7.676 8.418 19 HE3 MET 3 HE3 MET 3 12.169 -9.250 8.910 20 H ASP 4 H ASP 4 8.008 -8.770 2.559 21 HA ASP 4 HA ASP 4 9.165 -7.485 0.108 22 HB2 ASP 4 HB2 ASP 4 9.654 -9.900 0.071 23 HB3 ASP 4 HB3 ASP 4 7.953 -10.266 0.413 24 H THR 5 H THR 5 6.558 -8.300 2.207 25 HA THR 5 HA THR 5 4.640 -6.968 0.381 26 HB THR 5 HB THR 5 3.827 -8.694 2.737 27 HG1 THR 5 HG1 THR 5 4.776 -10.025 1.252 28 HG21 THR 5 HG21 THR 5 2.111 -7.017 1.831 29 HG22 THR 5 HG22 THR 5 1.631 -8.713 1.677 30 HG23 THR 5 HG23 THR 5 2.238 -7.818 0.268 31 H ILE 6 H ILE 6 3.717 -5.070 1.056 32 HA ILE 6 HA ILE 6 4.381 -4.079 3.789 33 HB ILE 6 HB ILE 6 4.449 -2.459 1.221 34 HG12 ILE 6 HG12 ILE 6 6.716 -3.449 3.022 35 HG13 ILE 6 HG13 ILE 6 6.406 -3.946 1.360 36 HG21 ILE 6 HG21 ILE 6 3.725 -1.166 3.215 37 HG22 ILE 6 HG22 ILE 6 5.193 -1.672 4.080 38 HG23 ILE 6 HG23 ILE 6 5.287 -0.640 2.642 39 HD11 ILE 6 HD11 ILE 6 6.736 -1.476 0.707 40 HD12 ILE 6 HD12 ILE 6 7.427 -1.263 2.334 41 HD13 ILE 6 HD13 ILE 6 8.161 -2.397 1.209 42 H ILE 7 H ILE 7 2.748 -3.116 4.860 43 HA ILE 7 HA ILE 7 0.041 -3.269 3.826 44 HB ILE 7 HB ILE 7 1.115 -2.416 6.524 45 HG12 ILE 7 HG12 ILE 7 -0.124 -4.968 5.508 46 HG13 ILE 7 HG13 ILE 7 1.423 -4.686 6.316 47 HG21 ILE 7 HG21 ILE 7 -0.891 -1.179 6.122 48 HG22 ILE 7 HG22 ILE 7 -1.778 -2.667 5.679 49 HG23 ILE 7 HG23 ILE 7 -1.156 -2.378 7.342 50 HD11 ILE 7 HD11 ILE 7 -1.317 -4.688 7.591 51 HD12 ILE 7 HD12 ILE 7 -0.009 -5.852 7.824 52 HD13 ILE 7 HD13 ILE 7 0.190 -4.191 8.422 53 H LEU 8 H LEU 8 -0.943 -1.459 2.962 54 HA LEU 8 HA LEU 8 0.139 1.228 3.659 55 HB2 LEU 8 HB2 LEU 8 -1.706 0.217 1.571 56 HB3 LEU 8 HB3 LEU 8 -1.898 1.767 1.978 57 HG LEU 8 HG LEU 8 0.355 2.347 1.100 58 HD11 LEU 8 HD11 LEU 8 0.891 -0.620 0.818 59 HD12 LEU 8 HD12 LEU 8 1.763 0.552 1.835 60 HD13 LEU 8 HD13 LEU 8 1.879 0.667 0.092 61 HD21 LEU 8 HD21 LEU 8 -0.968 0.319 -0.749 62 HD22 LEU 8 HD22 LEU 8 0.085 1.660 -1.229 63 HD23 LEU 8 HD23 LEU 8 -1.493 1.994 -0.516 64 H ARG 9 H ARG 9 -0.757 1.718 5.426 65 HA ARG 9 HA ARG 9 -3.236 0.637 6.619 66 HB2 ARG 9 HB2 ARG 9 -0.774 1.734 7.496 67 HB3 ARG 9 HB3 ARG 9 -1.927 2.984 7.883 68 HG2 ARG 9 HG2 ARG 9 -2.425 0.147 8.722 69 HG3 ARG 9 HG3 ARG 9 -1.103 1.018 9.483 70 HD2 ARG 9 HD2 ARG 9 -2.876 2.912 9.849 71 HD3 ARG 9 HD3 ARG 9 -4.049 1.603 9.721 72 HE ARG 9 HE ARG 9 -2.501 0.485 11.517 73 HH11 ARG 9 HH11 ARG 9 -3.661 3.811 11.446 74 HH12 ARG 9 HH12 ARG 9 -3.101 4.183 13.065 75 HH21 ARG 9 HH21 ARG 9 -1.826 0.976 13.694 76 HH22 ARG 9 HH22 ARG 9 -2.172 2.561 14.344 77 H ASN 10 H ASN 10 -4.741 2.465 7.510 78 HA ASN 10 HA ASN 10 -6.126 4.231 7.224 79 HB2 ASN 10 HB2 ASN 10 -3.376 5.211 6.798 80 HB3 ASN 10 HB3 ASN 10 -4.583 6.302 6.181 81 HD21 ASN 10 HD21 ASN 10 -2.683 6.462 8.453 82 HD22 ASN 10 HD22 ASN 10 -3.649 6.886 9.830 83 H LEU 11 H LEU 11 -5.627 2.499 4.615 84 HA LEU 11 HA LEU 11 -6.106 4.388 2.486 85 HB2 LEU 11 HB2 LEU 11 -6.791 1.447 2.729 86 HB3 LEU 11 HB3 LEU 11 -7.309 2.357 1.376 87 HG LEU 11 HG LEU 11 -5.284 1.700 0.405 88 HD11 LEU 11 HD11 LEU 11 -3.810 3.410 2.330 89 HD12 LEU 11 HD12 LEU 11 -4.588 4.055 0.848 90 HD13 LEU 11 HD13 LEU 11 -3.288 2.859 0.726 91 HD21 LEU 11 HD21 LEU 11 -3.717 0.541 1.315 92 HD22 LEU 11 HD22 LEU 11 -5.251 0.055 1.984 93 HD23 LEU 11 HD23 LEU 11 -4.154 1.108 2.967 94 H ASN 12 H ASN 12 -7.796 5.611 2.126 95 HA ASN 12 HA ASN 12 -10.084 5.530 3.840 96 HB2 ASN 12 HB2 ASN 12 -8.972 7.570 3.056 97 HB3 ASN 12 HB3 ASN 12 -9.420 7.289 1.435 98 HD21 ASN 12 HD21 ASN 12 -11.590 8.159 0.868 99 HD22 ASN 12 HD22 ASN 12 -12.764 8.468 2.142 100 HA PRO 13 HA PRO 13 -12.509 2.854 1.203 101 HB2 PRO 13 HB2 PRO 13 -15.102 3.487 1.904 102 HB3 PRO 13 HB3 PRO 13 -13.979 2.560 2.942 103 HG2 PRO 13 HG2 PRO 13 -14.555 5.537 2.989 104 HG3 PRO 13 HG3 PRO 13 -14.538 4.409 4.370 105 HD2 PRO 13 HD2 PRO 13 -12.446 5.951 3.835 106 HD3 PRO 13 HD3 PRO 13 -12.110 4.283 4.308 107 H HIS 14 H HIS 14 -12.767 6.306 0.837 108 HA HIS 14 HA HIS 14 -14.086 5.907 -1.840 109 HB2 HIS 14 HB2 HIS 14 -13.973 8.341 -0.063 110 HB3 HIS 14 HB3 HIS 14 -14.681 8.281 -1.676 111 HD1 HIS 14 HD1 HIS 14 -16.741 6.231 -1.838 112 HD2 HIS 14 HD2 HIS 14 -15.560 7.740 1.907 113 HE1 HIS 14 HE1 HIS 14 -18.573 5.588 -0.175 114 H SER 15 H SER 15 -11.117 5.717 -0.902 115 HA SER 15 HA SER 15 -9.705 7.719 -2.374 116 HB2 SER 15 HB2 SER 15 -8.913 6.168 -0.437 117 HB3 SER 15 HB3 SER 15 -8.791 4.900 -1.659 118 HG SER 15 HG SER 15 -7.372 7.354 -1.478 119 H THR 16 H THR 16 -8.026 6.543 -4.084 120 HA THR 16 HA THR 16 -9.566 5.075 -6.104 121 HB THR 16 HB THR 16 -10.253 7.331 -6.432 122 HG1 THR 16 HG1 THR 16 -10.056 7.322 -8.439 123 HG21 THR 16 HG21 THR 16 -8.821 9.166 -7.060 124 HG22 THR 16 HG22 THR 16 -7.372 8.168 -6.852 125 HG23 THR 16 HG23 THR 16 -8.381 8.589 -5.445 126 H MET 17 H MET 17 -8.296 3.426 -6.495 127 HA MET 17 HA MET 17 -5.834 3.258 -5.185 128 HB2 MET 17 HB2 MET 17 -5.619 1.062 -6.122 129 HB3 MET 17 HB3 MET 17 -7.289 1.344 -5.613 130 HG2 MET 17 HG2 MET 17 -7.802 1.893 -8.072 131 HG3 MET 17 HG3 MET 17 -6.163 1.355 -8.429 132 HE1 MET 17 HE1 MET 17 -9.871 0.280 -7.949 133 HE2 MET 17 HE2 MET 17 -9.737 -1.308 -7.166 134 HE3 MET 17 HE3 MET 17 -9.268 0.161 -6.280 135 H ASP 18 H ASP 18 -6.425 4.216 -8.511 136 HA ASP 18 HA ASP 18 -3.816 3.752 -9.557 137 HB2 ASP 18 HB2 ASP 18 -5.964 4.302 -10.764 138 HB3 ASP 18 HB3 ASP 18 -5.744 5.985 -10.288 139 H SER 19 H SER 19 -5.087 6.356 -7.427 140 HA SER 19 HA SER 19 -2.736 8.050 -7.875 141 HB2 SER 19 HB2 SER 19 -5.152 8.288 -6.024 142 HB3 SER 19 HB3 SER 19 -3.858 9.487 -6.183 143 HG SER 19 HG SER 19 -4.341 9.666 -8.383 144 H ILE 20 H ILE 20 -4.050 5.659 -5.612 145 HA ILE 20 HA ILE 20 -2.087 6.022 -3.528 146 HB ILE 20 HB ILE 20 -3.500 3.444 -4.288 147 HG12 ILE 20 HG12 ILE 20 -4.521 5.633 -2.433 148 HG13 ILE 20 HG13 ILE 20 -5.188 5.236 -4.007 149 HG21 ILE 20 HG21 ILE 20 -2.492 4.454 -1.577 150 HG22 ILE 20 HG22 ILE 20 -3.171 2.844 -1.934 151 HG23 ILE 20 HG23 ILE 20 -1.620 3.306 -2.600 152 HD11 ILE 20 HD11 ILE 20 -6.629 4.125 -2.581 153 HD12 ILE 20 HD12 ILE 20 -5.512 2.829 -3.044 154 HD13 ILE 20 HD13 ILE 20 -5.331 3.642 -1.474 155 H LEU 21 H LEU 21 -2.194 3.988 -6.522 156 HA LEU 21 HA LEU 21 0.351 2.720 -6.220 157 HB2 LEU 21 HB2 LEU 21 -1.360 3.412 -8.623 158 HB3 LEU 21 HB3 LEU 21 0.237 2.700 -8.814 159 HG LEU 21 HG LEU 21 -2.001 1.387 -7.217 160 HD11 LEU 21 HD11 LEU 21 -2.243 -0.106 -9.171 161 HD12 LEU 21 HD12 LEU 21 -1.036 0.853 -10.065 162 HD13 LEU 21 HD13 LEU 21 -2.594 1.567 -9.601 163 HD21 LEU 21 HD21 LEU 21 -0.548 -0.654 -7.520 164 HD22 LEU 21 HD22 LEU 21 0.194 0.581 -6.504 165 HD23 LEU 21 HD23 LEU 21 0.718 0.392 -8.195 166 H GLY 22 H GLY 22 -0.537 5.606 -8.117 167 HA2 GLY 22 HA2 GLY 22 2.014 6.457 -8.853 168 HA3 GLY 22 HA3 GLY 22 0.582 7.481 -8.707 169 H ALA 23 H ALA 23 0.816 6.453 -5.639 170 HA ALA 23 HA ALA 23 2.794 8.512 -4.793 171 HB1 ALA 23 HB1 ALA 23 0.381 9.250 -4.543 172 HB2 ALA 23 HB2 ALA 23 0.132 7.873 -3.466 173 HB3 ALA 23 HB3 ALA 23 1.282 9.156 -3.026 174 H LEU 24 H LEU 24 2.846 5.378 -5.072 175 HA LEU 24 HA LEU 24 4.331 5.057 -2.586 176 HB2 LEU 24 HB2 LEU 24 1.654 4.261 -2.512 177 HB3 LEU 24 HB3 LEU 24 2.450 2.783 -2.955 178 HG LEU 24 HG LEU 24 2.020 2.966 -0.588 179 HD11 LEU 24 HD11 LEU 24 3.985 1.673 -1.345 180 HD12 LEU 24 HD12 LEU 24 4.133 2.303 0.298 181 HD13 LEU 24 HD13 LEU 24 5.009 3.103 -1.019 182 HD21 LEU 24 HD21 LEU 24 2.153 5.399 -0.281 183 HD22 LEU 24 HD22 LEU 24 3.914 5.335 -0.453 184 HD23 LEU 24 HD23 LEU 24 3.126 4.521 0.908 185 H ALA 25 H ALA 25 4.463 4.816 -5.802 186 HA ALA 25 HA ALA 25 6.155 2.392 -5.723 187 HB1 ALA 25 HB1 ALA 25 4.002 2.858 -7.808 188 HB2 ALA 25 HB2 ALA 25 5.074 1.447 -7.634 189 HB3 ALA 25 HB3 ALA 25 3.825 1.781 -6.410 190 HA PRO 26 HA PRO 26 7.880 5.998 -8.240 191 HB2 PRO 26 HB2 PRO 26 10.141 6.499 -6.747 192 HB3 PRO 26 HB3 PRO 26 8.568 7.330 -6.522 193 HG2 PRO 26 HG2 PRO 26 9.697 4.975 -5.004 194 HG3 PRO 26 HG3 PRO 26 8.887 6.448 -4.361 195 HD2 PRO 26 HD2 PRO 26 7.528 4.073 -4.692 196 HD3 PRO 26 HD3 PRO 26 6.769 5.668 -4.980 197 H TYR 27 H TYR 27 9.018 2.963 -6.924 198 HA TYR 27 HA TYR 27 10.838 2.588 -9.256 199 HB2 TYR 27 HB2 TYR 27 11.211 1.665 -6.375 200 HB3 TYR 27 HB3 TYR 27 12.252 1.218 -7.728 201 HD1 TYR 27 HD1 TYR 27 11.548 3.604 -5.121 202 HD2 TYR 27 HD2 TYR 27 13.519 3.141 -8.939 203 HE1 TYR 27 HE1 TYR 27 12.868 5.605 -4.657 204 HE2 TYR 27 HE2 TYR 27 14.872 5.163 -8.489 205 HH TYR 27 HH TYR 27 15.478 6.751 -6.869 206 H ALA 28 H ALA 28 8.597 1.162 -6.876 207 HA ALA 28 HA ALA 28 8.984 -1.513 -7.540 208 HB1 ALA 28 HB1 ALA 28 7.897 -0.746 -5.464 209 HB2 ALA 28 HB2 ALA 28 6.476 -0.221 -6.394 210 HB3 ALA 28 HB3 ALA 28 6.923 -1.946 -6.305 211 H VAL 29 H VAL 29 8.461 -2.776 -9.114 212 HA VAL 29 HA VAL 29 6.969 -1.893 -11.423 213 HB VAL 29 HB VAL 29 8.023 -4.668 -10.669 214 HG11 VAL 29 HG11 VAL 29 7.122 -3.456 -13.311 215 HG12 VAL 29 HG12 VAL 29 8.005 -4.989 -13.169 216 HG13 VAL 29 HG13 VAL 29 6.391 -4.833 -12.485 217 HG21 VAL 29 HG21 VAL 29 9.932 -4.123 -12.117 218 HG22 VAL 29 HG22 VAL 29 9.320 -2.466 -12.326 219 HG23 VAL 29 HG23 VAL 29 9.874 -3.039 -10.736 220 H LEU 30 H LEU 30 5.034 -1.306 -10.174 221 HA LEU 30 HA LEU 30 3.217 -3.670 -9.797 222 HB2 LEU 30 HB2 LEU 30 2.761 -0.981 -8.498 223 HB3 LEU 30 HB3 LEU 30 1.982 -2.508 -8.139 224 HG LEU 30 HG LEU 30 4.945 -1.910 -7.665 225 HD11 LEU 30 HD11 LEU 30 2.647 -1.739 -5.707 226 HD12 LEU 30 HD12 LEU 30 3.697 -0.424 -6.265 227 HD13 LEU 30 HD13 LEU 30 4.396 -1.707 -5.261 228 HD21 LEU 30 HD21 LEU 30 3.311 -4.113 -6.397 229 HD22 LEU 30 HD22 LEU 30 5.050 -3.830 -6.256 230 HD23 LEU 30 HD23 LEU 30 4.369 -4.349 -7.792 231 H SER 31 H SER 31 1.280 -3.567 -10.580 232 HA SER 31 HA SER 31 -0.182 -1.351 -10.786 233 HB2 SER 31 HB2 SER 31 0.971 -0.772 -12.938 234 HB3 SER 31 HB3 SER 31 0.227 -2.190 -13.693 235 HG SER 31 HG SER 31 -0.799 0.004 -13.799 236 H SER 32 H SER 32 -2.184 -1.879 -10.874 237 HA SER 32 HA SER 32 -4.012 -3.035 -10.338 238 HB2 SER 32 HB2 SER 32 -3.738 -3.083 -12.920 239 HB3 SER 32 HB3 SER 32 -3.498 -4.813 -12.688 240 HG SER 32 HG SER 32 -5.692 -3.154 -11.931 241 H SER 33 H SER 33 -1.585 -5.625 -11.091 242 HA SER 33 HA SER 33 -3.231 -7.599 -9.662 243 HB2 SER 33 HB2 SER 33 -0.584 -7.658 -11.179 244 HB3 SER 33 HB3 SER 33 -1.270 -9.081 -10.375 245 HG SER 33 HG SER 33 -2.976 -9.093 -11.641 246 H ASN 34 H ASN 34 -1.743 -5.308 -8.320 247 HA ASN 34 HA ASN 34 -0.268 -6.834 -6.210 248 HB2 ASN 34 HB2 ASN 34 0.171 -3.892 -6.687 249 HB3 ASN 34 HB3 ASN 34 1.272 -5.108 -6.080 250 HD21 ASN 34 HD21 ASN 34 2.438 -6.390 -7.709 251 HD22 ASN 34 HD22 ASN 34 2.481 -5.965 -9.385 252 H VAL 35 H VAL 35 -2.724 -4.451 -6.987 253 HA VAL 35 HA VAL 35 -2.964 -3.330 -4.321 254 HB VAL 35 HB VAL 35 -4.725 -3.010 -6.770 255 HG11 VAL 35 HG11 VAL 35 -5.808 -2.437 -4.571 256 HG12 VAL 35 HG12 VAL 35 -4.465 -1.311 -4.239 257 HG13 VAL 35 HG13 VAL 35 -5.566 -1.046 -5.614 258 HG21 VAL 35 HG21 VAL 35 -2.514 -2.196 -7.321 259 HG22 VAL 35 HG22 VAL 35 -3.473 -0.777 -6.885 260 HG23 VAL 35 HG23 VAL 35 -2.317 -1.451 -5.720 261 H ARG 36 H ARG 36 -3.773 -4.708 -2.716 262 HA ARG 36 HA ARG 36 -6.288 -6.127 -3.402 263 HB2 ARG 36 HB2 ARG 36 -4.347 -7.681 -3.482 264 HB3 ARG 36 HB3 ARG 36 -3.879 -7.209 -1.855 265 HG2 ARG 36 HG2 ARG 36 -5.030 -9.378 -1.959 266 HG3 ARG 36 HG3 ARG 36 -5.873 -8.246 -0.929 267 HD2 ARG 36 HD2 ARG 36 -7.718 -8.158 -2.282 268 HD3 ARG 36 HD3 ARG 36 -6.766 -8.252 -3.755 269 HE ARG 36 HE ARG 36 -7.363 -10.621 -2.016 270 HH11 ARG 36 HH11 ARG 36 -6.877 -9.265 -5.332 271 HH12 ARG 36 HH12 ARG 36 -7.219 -10.778 -6.068 272 HH21 ARG 36 HH21 ARG 36 -7.486 -12.554 -2.980 273 HH22 ARG 36 HH22 ARG 36 -7.119 -12.769 -4.665 274 H VAL 37 H VAL 37 -7.349 -4.242 -2.485 275 HA VAL 37 HA VAL 37 -6.480 -3.468 0.211 276 HB VAL 37 HB VAL 37 -8.987 -2.313 -0.920 277 HG11 VAL 37 HG11 VAL 37 -8.200 -1.668 1.333 278 HG12 VAL 37 HG12 VAL 37 -6.616 -1.260 0.679 279 HG13 VAL 37 HG13 VAL 37 -7.990 -0.280 0.248 280 HG21 VAL 37 HG21 VAL 37 -7.617 -1.973 -2.899 281 HG22 VAL 37 HG22 VAL 37 -8.000 -0.483 -1.993 282 HG23 VAL 37 HG23 VAL 37 -6.362 -1.187 -1.891 283 H ILE 38 H ILE 38 -7.561 -6.199 -0.150 284 HA ILE 38 HA ILE 38 -9.132 -7.663 0.618 285 HB ILE 38 HB ILE 38 -9.190 -5.881 3.060 286 HG12 ILE 38 HG12 ILE 38 -6.863 -5.708 2.425 287 HG13 ILE 38 HG13 ILE 38 -7.016 -6.761 3.802 288 HG21 ILE 38 HG21 ILE 38 -10.374 -8.037 3.206 289 HG22 ILE 38 HG22 ILE 38 -8.884 -8.894 2.785 290 HG23 ILE 38 HG23 ILE 38 -8.996 -7.969 4.308 291 HD11 ILE 38 HD11 ILE 38 -6.698 -7.784 0.972 292 HD12 ILE 38 HD12 ILE 38 -5.363 -7.539 2.106 293 HD13 ILE 38 HD13 ILE 38 -6.614 -8.742 2.464 294 H LYS 39 H LYS 39 -10.313 -5.668 -0.995 295 HA LYS 39 HA LYS 39 -12.394 -4.189 0.094 296 HB2 LYS 39 HB2 LYS 39 -13.282 -4.229 -2.361 297 HB3 LYS 39 HB3 LYS 39 -11.786 -3.393 -1.948 298 HG2 LYS 39 HG2 LYS 39 -10.429 -4.922 -2.976 299 HG3 LYS 39 HG3 LYS 39 -11.554 -6.285 -2.768 300 HD2 LYS 39 HD2 LYS 39 -11.387 -5.724 -5.102 301 HD3 LYS 39 HD3 LYS 39 -13.009 -5.447 -4.427 302 HE2 LYS 39 HE2 LYS 39 -12.580 -3.031 -4.298 303 HE3 LYS 39 HE3 LYS 39 -10.923 -3.276 -4.865 304 HZ1 LYS 39 HZ1 LYS 39 -13.310 -3.913 -6.494 305 HZ2 LYS 39 HZ2 LYS 39 -11.705 -3.917 -6.964 306 HZ3 LYS 39 HZ3 LYS 39 -12.430 -2.516 -6.550 307 H ASP 40 H ASP 40 -14.697 -4.319 0.079 308 HA ASP 40 HA ASP 40 -15.565 -7.141 0.403 309 HB2 ASP 40 HB2 ASP 40 -16.137 -5.163 2.007 310 HB3 ASP 40 HB3 ASP 40 -17.422 -4.838 0.824 311 H LYS 41 H LYS 41 -18.101 -7.269 -0.232 312 HA LYS 41 HA LYS 41 -18.362 -6.855 -3.183 313 HB2 LYS 41 HB2 LYS 41 -19.535 -9.030 -3.048 314 HB3 LYS 41 HB3 LYS 41 -17.777 -9.171 -2.853 315 HG2 LYS 41 HG2 LYS 41 -18.067 -9.559 -0.446 316 HG3 LYS 41 HG3 LYS 41 -19.771 -9.166 -0.543 317 HD2 LYS 41 HD2 LYS 41 -20.259 -11.330 -0.803 318 HD3 LYS 41 HD3 LYS 41 -19.530 -11.255 -2.391 319 HE2 LYS 41 HE2 LYS 41 -18.420 -13.031 -1.350 320 HE3 LYS 41 HE3 LYS 41 -17.267 -11.689 -1.250 321 HZ1 LYS 41 HZ1 LYS 41 -17.297 -12.595 0.858 322 HZ2 LYS 41 HZ2 LYS 41 -18.938 -12.863 0.863 323 HZ3 LYS 41 HZ3 LYS 41 -18.310 -11.335 1.049 324 H GLN 42 H GLN 42 -19.893 -6.990 -0.039 325 HA GLN 42 HA GLN 42 -22.598 -6.424 -1.087 326 HB2 GLN 42 HB2 GLN 42 -21.437 -6.170 1.708 327 HB3 GLN 42 HB3 GLN 42 -23.148 -6.174 1.321 328 HG2 GLN 42 HG2 GLN 42 -23.269 -8.442 0.945 329 HG3 GLN 42 HG3 GLN 42 -21.612 -8.612 0.450 330 HE21 GLN 42 HE21 GLN 42 -20.095 -7.544 2.511 331 HE22 GLN 42 HE22 GLN 42 -20.451 -8.448 3.980 332 H THR 43 H THR 43 -20.000 -4.559 -1.313 333 HA THR 43 HA THR 43 -21.476 -2.104 -1.370 334 HB THR 43 HB THR 43 -21.159 -2.271 1.096 335 HG1 THR 43 HG1 THR 43 -20.267 -0.358 1.445 336 HG21 THR 43 HG21 THR 43 -19.219 -3.619 1.328 337 HG22 THR 43 HG22 THR 43 -18.910 -2.068 2.090 338 HG23 THR 43 HG23 THR 43 -18.192 -2.409 0.516 339 H GLN 44 H GLN 44 -18.534 -3.956 -1.836 340 HA GLN 44 HA GLN 44 -16.578 -3.635 -2.848 341 HB2 GLN 44 HB2 GLN 44 -17.862 -1.641 -4.709 342 HB3 GLN 44 HB3 GLN 44 -16.416 -2.613 -4.953 343 HG2 GLN 44 HG2 GLN 44 -17.958 -3.770 -6.227 344 HG3 GLN 44 HG3 GLN 44 -18.043 -4.672 -4.704 345 HE21 GLN 44 HE21 GLN 44 -20.221 -5.132 -4.158 346 HE22 GLN 44 HE22 GLN 44 -21.495 -4.025 -4.359 347 H LEU 45 H LEU 45 -16.339 -2.613 -0.573 348 HA LEU 45 HA LEU 45 -15.015 -0.024 -1.007 349 HB2 LEU 45 HB2 LEU 45 -16.550 -0.860 1.458 350 HB3 LEU 45 HB3 LEU 45 -15.505 0.546 1.371 351 HG LEU 45 HG LEU 45 -17.990 0.154 -0.338 352 HD11 LEU 45 HD11 LEU 45 -19.008 1.879 1.072 353 HD12 LEU 45 HD12 LEU 45 -17.527 2.008 2.039 354 HD13 LEU 45 HD13 LEU 45 -18.491 0.508 2.060 355 HD21 LEU 45 HD21 LEU 45 -16.334 1.480 -1.473 356 HD22 LEU 45 HD22 LEU 45 -16.080 2.489 -0.033 357 HD23 LEU 45 HD23 LEU 45 -17.639 2.545 -0.896 358 H ASN 46 H ASN 46 -13.235 0.299 0.127 359 HA ASN 46 HA ASN 46 -11.493 -1.962 0.609 360 HB2 ASN 46 HB2 ASN 46 -11.155 0.979 1.361 361 HB3 ASN 46 HB3 ASN 46 -9.873 -0.219 1.276 362 HD21 ASN 46 HD21 ASN 46 -10.068 2.314 -0.176 363 HD22 ASN 46 HD22 ASN 46 -10.358 2.006 -1.860 364 H ARG 47 H ARG 47 -11.103 -2.994 2.660 365 HA ARG 47 HA ARG 47 -12.688 -2.199 4.980 366 HB2 ARG 47 HB2 ARG 47 -10.289 -4.070 4.848 367 HB3 ARG 47 HB3 ARG 47 -11.267 -3.789 6.253 368 HG2 ARG 47 HG2 ARG 47 -13.254 -4.683 5.094 369 HG3 ARG 47 HG3 ARG 47 -12.291 -4.960 3.632 370 HD2 ARG 47 HD2 ARG 47 -10.732 -6.363 5.037 371 HD3 ARG 47 HD3 ARG 47 -11.798 -6.112 6.419 372 HE ARG 47 HE ARG 47 -13.382 -7.175 4.347 373 HH11 ARG 47 HH11 ARG 47 -11.040 -8.153 6.751 374 HH12 ARG 47 HH12 ARG 47 -10.963 -9.823 6.335 375 HH21 ARG 47 HH21 ARG 47 -13.590 -9.491 3.939 376 HH22 ARG 47 HH22 ARG 47 -12.622 -10.603 4.863 377 H GLY 48 H GLY 48 -9.382 -1.437 3.837 378 HA2 GLY 48 HA2 GLY 48 -9.122 0.986 4.152 379 HA3 GLY 48 HA3 GLY 48 -9.181 0.724 5.878 380 H PHE 49 H PHE 49 -7.608 -1.809 4.038 381 HA PHE 49 HA PHE 49 -5.025 -0.489 4.007 382 HB2 PHE 49 HB2 PHE 49 -4.051 -2.543 5.290 383 HB3 PHE 49 HB3 PHE 49 -4.810 -1.259 6.198 384 HD1 PHE 49 HD1 PHE 49 -5.473 -4.651 4.771 385 HD2 PHE 49 HD2 PHE 49 -6.634 -1.683 7.674 386 HE1 PHE 49 HE1 PHE 49 -6.976 -6.311 5.898 387 HE2 PHE 49 HE2 PHE 49 -8.135 -3.312 8.753 388 HZ PHE 49 HZ PHE 49 -8.291 -5.640 7.867 389 H ALA 50 H ALA 50 -3.396 -1.648 2.827 390 HA ALA 50 HA ALA 50 -4.450 -3.708 0.960 391 HB1 ALA 50 HB1 ALA 50 -2.765 -1.322 0.096 392 HB2 ALA 50 HB2 ALA 50 -3.566 -2.532 -0.932 393 HB3 ALA 50 HB3 ALA 50 -4.533 -1.356 -0.056 394 H PHE 51 H PHE 51 -2.600 -4.712 -0.292 395 HA PHE 51 HA PHE 51 -0.344 -5.337 1.550 396 HB2 PHE 51 HB2 PHE 51 -2.572 -7.041 0.429 397 HB3 PHE 51 HB3 PHE 51 -0.981 -7.738 0.529 398 HD1 PHE 51 HD1 PHE 51 -0.539 -9.023 2.440 399 HD2 PHE 51 HD2 PHE 51 -3.216 -5.662 2.751 400 HE1 PHE 51 HE1 PHE 51 -0.857 -9.504 4.835 401 HE2 PHE 51 HE2 PHE 51 -3.463 -6.094 5.191 402 HZ PHE 51 HZ PHE 51 -2.277 -8.009 6.236 403 H ILE 52 H ILE 52 0.834 -3.923 0.088 404 HA ILE 52 HA ILE 52 1.009 -4.489 -2.782 405 HB ILE 52 HB ILE 52 2.753 -2.831 -0.920 406 HG12 ILE 52 HG12 ILE 52 0.443 -1.954 -1.038 407 HG13 ILE 52 HG13 ILE 52 1.654 -0.861 -1.698 408 HG21 ILE 52 HG21 ILE 52 3.535 -1.718 -3.040 409 HG22 ILE 52 HG22 ILE 52 4.096 -3.372 -2.805 410 HG23 ILE 52 HG23 ILE 52 2.771 -3.066 -3.938 411 HD11 ILE 52 HD11 ILE 52 0.986 -1.336 -3.973 412 HD12 ILE 52 HD12 ILE 52 -0.104 -2.632 -3.447 413 HD13 ILE 52 HD13 ILE 52 -0.455 -0.949 -3.027 414 H GLN 53 H GLN 53 2.498 -5.891 -3.808 415 HA GLN 53 HA GLN 53 4.378 -7.411 -2.082 416 HB2 GLN 53 HB2 GLN 53 2.626 -8.752 -3.286 417 HB3 GLN 53 HB3 GLN 53 3.113 -8.023 -4.805 418 HG2 GLN 53 HG2 GLN 53 4.625 -9.668 -5.096 419 HG3 GLN 53 HG3 GLN 53 5.519 -9.106 -3.680 420 HE21 GLN 53 HE21 GLN 53 5.389 -10.219 -1.838 421 HE22 GLN 53 HE22 GLN 53 4.487 -11.694 -1.519 422 H LEU 54 H LEU 54 6.411 -6.625 -2.332 423 HA LEU 54 HA LEU 54 7.209 -4.870 -4.506 424 HB2 LEU 54 HB2 LEU 54 8.426 -6.100 -1.981 425 HB3 LEU 54 HB3 LEU 54 9.525 -5.533 -3.235 426 HG LEU 54 HG LEU 54 9.253 -3.822 -1.694 427 HD11 LEU 54 HD11 LEU 54 7.585 -2.796 -3.983 428 HD12 LEU 54 HD12 LEU 54 9.311 -3.174 -4.137 429 HD13 LEU 54 HD13 LEU 54 8.773 -1.945 -2.988 430 HD21 LEU 54 HD21 LEU 54 7.153 -2.699 -1.149 431 HD22 LEU 54 HD22 LEU 54 7.086 -4.425 -0.712 432 HD23 LEU 54 HD23 LEU 54 6.254 -3.832 -2.162 433 H SER 55 H SER 55 9.430 -5.414 -5.630 434 HA SER 55 HA SER 55 9.180 -7.889 -7.093 435 HB2 SER 55 HB2 SER 55 11.418 -5.854 -6.826 436 HB3 SER 55 HB3 SER 55 11.488 -7.254 -7.884 437 HG SER 55 HG SER 55 9.144 -5.813 -8.197 438 H THR 56 H THR 56 11.105 -6.883 -4.196 439 HA THR 56 HA THR 56 11.731 -9.651 -3.620 440 HB THR 56 HB THR 56 13.546 -9.510 -4.764 441 HG1 THR 56 HG1 THR 56 14.772 -9.997 -3.350 442 HG21 THR 56 HG21 THR 56 13.501 -7.272 -5.788 443 HG22 THR 56 HG22 THR 56 15.114 -7.508 -5.129 444 HG23 THR 56 HG23 THR 56 13.942 -6.552 -4.217 445 H ILE 57 H ILE 57 13.010 -9.795 -1.584 446 HA ILE 57 HA ILE 57 11.785 -8.274 0.201 447 HB ILE 57 HB ILE 57 13.431 -9.007 1.958 448 HG12 ILE 57 HG12 ILE 57 14.936 -10.586 -0.171 449 HG13 ILE 57 HG13 ILE 57 15.456 -8.982 0.307 450 HG21 ILE 57 HG21 ILE 57 11.575 -10.493 0.900 451 HG22 ILE 57 HG22 ILE 57 12.906 -11.473 0.298 452 HG23 ILE 57 HG23 ILE 57 12.699 -11.200 2.057 453 HD11 ILE 57 HD11 ILE 57 16.690 -10.608 1.562 454 HD12 ILE 57 HD12 ILE 57 15.708 -9.560 2.593 455 HD13 ILE 57 HD13 ILE 57 15.187 -11.244 2.268 456 H VAL 58 H VAL 58 14.775 -7.671 -1.455 457 HA VAL 58 HA VAL 58 15.835 -5.840 0.417 458 HB VAL 58 HB VAL 58 16.468 -6.197 -2.555 459 HG11 VAL 58 HG11 VAL 58 17.521 -4.126 -1.520 460 HG12 VAL 58 HG12 VAL 58 18.206 -5.148 -0.244 461 HG13 VAL 58 HG13 VAL 58 18.721 -5.350 -1.944 462 HG21 VAL 58 HG21 VAL 58 16.716 -8.330 -1.475 463 HG22 VAL 58 HG22 VAL 58 18.335 -7.653 -1.609 464 HG23 VAL 58 HG23 VAL 58 17.506 -7.607 -0.057 465 H GLU 59 H GLU 59 13.771 -5.461 -2.445 466 HA GLU 59 HA GLU 59 13.735 -2.615 -2.682 467 HB2 GLU 59 HB2 GLU 59 11.846 -4.851 -3.478 468 HB3 GLU 59 HB3 GLU 59 11.500 -3.150 -3.810 469 HG2 GLU 59 HG2 GLU 59 14.174 -4.287 -4.655 470 HG3 GLU 59 HG3 GLU 59 12.735 -4.657 -5.594 471 H ALA 60 H ALA 60 11.883 -4.868 -0.558 472 HA ALA 60 HA ALA 60 9.858 -2.939 0.045 473 HB1 ALA 60 HB1 ALA 60 10.723 -5.239 1.776 474 HB2 ALA 60 HB2 ALA 60 9.140 -4.445 1.755 475 HB3 ALA 60 HB3 ALA 60 9.657 -5.406 0.359 476 H ALA 61 H ALA 61 12.693 -3.911 2.057 477 HA ALA 61 HA ALA 61 12.185 -1.837 3.975 478 HB1 ALA 61 HB1 ALA 61 14.800 -3.245 3.302 479 HB2 ALA 61 HB2 ALA 61 14.518 -2.222 4.726 480 HB3 ALA 61 HB3 ALA 61 13.611 -3.725 4.549 481 H GLN 62 H GLN 62 14.168 -1.868 0.979 482 HA GLN 62 HA GLN 62 15.347 0.678 1.173 483 HB2 GLN 62 HB2 GLN 62 14.481 -0.948 -1.160 484 HB3 GLN 62 HB3 GLN 62 15.193 0.652 -1.349 485 HG2 GLN 62 HG2 GLN 62 17.217 -0.001 -0.136 486 HG3 GLN 62 HG3 GLN 62 16.559 -1.611 0.166 487 HE21 GLN 62 HE21 GLN 62 15.531 -2.488 -2.008 488 HE22 GLN 62 HE22 GLN 62 16.243 -1.983 -3.521 489 H LEU 63 H LEU 63 12.308 -0.108 -0.705 490 HA LEU 63 HA LEU 63 11.772 2.649 -1.097 491 HB2 LEU 63 HB2 LEU 63 10.066 0.158 -1.412 492 HB3 LEU 63 HB3 LEU 63 9.372 1.763 -1.499 493 HG LEU 63 HG LEU 63 11.114 2.369 -3.269 494 HD11 LEU 63 HD11 LEU 63 12.609 0.390 -2.994 495 HD12 LEU 63 HD12 LEU 63 11.965 0.477 -4.626 496 HD13 LEU 63 HD13 LEU 63 11.275 -0.675 -3.477 497 HD21 LEU 63 HD21 LEU 63 8.883 0.352 -3.717 498 HD22 LEU 63 HD22 LEU 63 9.634 1.284 -5.019 499 HD23 LEU 63 HD23 LEU 63 8.742 2.110 -3.730 500 H LEU 64 H LEU 64 10.684 0.432 1.557 501 HA LEU 64 HA LEU 64 8.799 2.203 2.680 502 HB2 LEU 64 HB2 LEU 64 9.331 -0.185 3.430 503 HB3 LEU 64 HB3 LEU 64 10.726 0.477 4.271 504 HG LEU 64 HG LEU 64 8.772 2.145 5.242 505 HD11 LEU 64 HD11 LEU 64 6.968 1.096 3.986 506 HD12 LEU 64 HD12 LEU 64 6.745 0.797 5.722 507 HD13 LEU 64 HD13 LEU 64 7.360 -0.494 4.685 508 HD21 LEU 64 HD21 LEU 64 8.684 0.743 7.239 509 HD22 LEU 64 HD22 LEU 64 10.333 0.829 6.597 510 HD23 LEU 64 HD23 LEU 64 9.353 -0.624 6.319 511 H GLN 65 H GLN 65 12.359 2.060 3.371 512 HA GLN 65 HA GLN 65 12.063 4.319 5.180 513 HB2 GLN 65 HB2 GLN 65 14.421 4.114 5.618 514 HB3 GLN 65 HB3 GLN 65 13.637 2.551 5.654 515 HG2 GLN 65 HG2 GLN 65 14.506 2.298 3.189 516 HG3 GLN 65 HG3 GLN 65 15.553 3.633 3.561 517 HE21 GLN 65 HE21 GLN 65 14.576 0.367 4.627 518 HE22 GLN 65 HE22 GLN 65 16.121 -0.054 5.388 519 H ILE 66 H ILE 66 13.115 3.961 1.778 520 HA ILE 66 HA ILE 66 14.133 6.657 1.592 521 HB ILE 66 HB ILE 66 13.239 4.759 -0.596 522 HG12 ILE 66 HG12 ILE 66 16.103 5.325 0.239 523 HG13 ILE 66 HG13 ILE 66 15.222 4.023 0.984 524 HG21 ILE 66 HG21 ILE 66 14.645 6.151 -2.110 525 HG22 ILE 66 HG22 ILE 66 13.337 7.096 -1.411 526 HG23 ILE 66 HG23 ILE 66 14.979 7.266 -0.767 527 HD11 ILE 66 HD11 ILE 66 16.482 3.059 -0.790 528 HD12 ILE 66 HD12 ILE 66 14.801 3.075 -1.350 529 HD13 ILE 66 HD13 ILE 66 15.952 4.281 -1.960 530 H LEU 67 H LEU 67 10.918 5.155 0.818 531 HA LEU 67 HA LEU 67 9.776 7.464 -0.362 532 HB2 LEU 67 HB2 LEU 67 8.580 5.124 1.155 533 HB3 LEU 67 HB3 LEU 67 7.592 6.416 0.579 534 HG LEU 67 HG LEU 67 8.073 4.122 -0.801 535 HD11 LEU 67 HD11 LEU 67 6.296 5.805 -1.161 536 HD12 LEU 67 HD12 LEU 67 6.972 5.183 -2.659 537 HD13 LEU 67 HD13 LEU 67 7.441 6.805 -2.080 538 HD21 LEU 67 HD21 LEU 67 9.396 4.441 -2.759 539 HD22 LEU 67 HD22 LEU 67 10.446 4.700 -1.389 540 HD23 LEU 67 HD23 LEU 67 9.847 6.100 -2.274 541 H GLN 68 H GLN 68 9.873 6.409 3.063 542 HA GLN 68 HA GLN 68 8.416 8.488 4.281 543 HB2 GLN 68 HB2 GLN 68 10.941 7.017 5.099 544 HB3 GLN 68 HB3 GLN 68 10.164 8.170 6.173 545 HG2 GLN 68 HG2 GLN 68 8.262 6.866 6.452 546 HG3 GLN 68 HG3 GLN 68 8.625 5.831 5.061 547 HE21 GLN 68 HE21 GLN 68 8.707 3.838 6.257 548 HE22 GLN 68 HE22 GLN 68 10.100 3.498 7.294 549 H ALA 69 H ALA 69 11.759 8.569 2.985 550 HA ALA 69 HA ALA 69 12.406 11.042 4.348 551 HB1 ALA 69 HB1 ALA 69 14.536 10.829 3.154 552 HB2 ALA 69 HB2 ALA 69 14.097 9.257 3.853 553 HB3 ALA 69 HB3 ALA 69 13.870 9.561 2.118 554 H LEU 70 H LEU 70 10.705 10.263 1.474 555 HA LEU 70 HA LEU 70 11.252 12.887 0.217 556 HB2 LEU 70 HB2 LEU 70 9.517 10.589 -0.761 557 HB3 LEU 70 HB3 LEU 70 9.952 12.039 -1.669 558 HG LEU 70 HG LEU 70 11.810 9.814 -0.787 559 HD11 LEU 70 HD11 LEU 70 10.919 10.655 -3.566 560 HD12 LEU 70 HD12 LEU 70 10.336 9.232 -2.676 561 HD13 LEU 70 HD13 LEU 70 12.035 9.329 -3.171 562 HD21 LEU 70 HD21 LEU 70 12.488 12.342 -2.332 563 HD22 LEU 70 HD22 LEU 70 13.567 10.943 -2.130 564 HD23 LEU 70 HD23 LEU 70 13.076 11.869 -0.713 565 H HIS 71 H HIS 71 9.281 14.008 -0.516 566 HA HIS 71 HA HIS 71 7.008 13.716 1.414 567 HB2 HIS 71 HB2 HIS 71 8.741 15.597 1.890 568 HB3 HIS 71 HB3 HIS 71 7.923 16.447 0.584 569 HD1 HIS 71 HD1 HIS 71 7.372 15.216 4.202 570 HD2 HIS 71 HD2 HIS 71 5.349 17.219 1.071 571 HE1 HIS 71 HE1 HIS 71 5.313 16.258 5.224 572 HA PRO 72 HA PRO 72 5.726 13.861 -3.090 573 HB2 PRO 72 HB2 PRO 72 4.337 11.491 -3.249 574 HB3 PRO 72 HB3 PRO 72 6.109 11.582 -3.479 575 HG2 PRO 72 HG2 PRO 72 4.614 10.889 -0.946 576 HG3 PRO 72 HG3 PRO 72 5.973 9.998 -1.713 577 HD2 PRO 72 HD2 PRO 72 6.401 11.739 0.320 578 HD3 PRO 72 HD3 PRO 72 7.528 11.640 -1.064 579 HA PRO 73 HA PRO 73 1.561 15.134 -1.903 580 HB2 PRO 73 HB2 PRO 73 0.185 14.734 -4.268 581 HB3 PRO 73 HB3 PRO 73 1.163 16.169 -3.879 582 HG2 PRO 73 HG2 PRO 73 1.917 13.789 -5.562 583 HG3 PRO 73 HG3 PRO 73 2.342 15.502 -5.817 584 HD2 PRO 73 HD2 PRO 73 4.038 13.627 -4.729 585 HD3 PRO 73 HD3 PRO 73 4.131 15.367 -4.322 586 H LEU 74 H LEU 74 0.733 13.769 -0.515 587 HA LEU 74 HA LEU 74 -0.238 11.129 -1.245 588 HB2 LEU 74 HB2 LEU 74 1.975 12.030 0.540 589 HB3 LEU 74 HB3 LEU 74 0.793 11.135 1.414 590 HG LEU 74 HG LEU 74 2.251 10.139 -1.058 591 HD11 LEU 74 HD11 LEU 74 3.427 8.648 0.465 592 HD12 LEU 74 HD12 LEU 74 2.467 9.206 1.848 593 HD13 LEU 74 HD13 LEU 74 3.616 10.303 1.067 594 HD21 LEU 74 HD21 LEU 74 0.169 8.831 0.751 595 HD22 LEU 74 HD22 LEU 74 1.208 7.923 -0.369 596 HD23 LEU 74 HD23 LEU 74 0.058 9.113 -0.986 597 H THR 75 H THR 75 -1.214 10.485 1.212 598 HA THR 75 HA THR 75 -2.782 10.719 2.745 599 HB THR 75 HB THR 75 -2.641 13.702 2.453 600 HG1 THR 75 HG1 THR 75 -0.860 13.770 3.693 601 HG21 THR 75 HG21 THR 75 -3.139 13.784 4.798 602 HG22 THR 75 HG22 THR 75 -2.923 12.040 4.976 603 HG23 THR 75 HG23 THR 75 -4.269 12.686 4.039 604 H ILE 76 H ILE 76 -4.213 9.831 1.193 605 HA ILE 76 HA ILE 76 -5.891 11.648 -0.448 606 HB ILE 76 HB ILE 76 -6.258 8.637 -0.174 607 HG12 ILE 76 HG12 ILE 76 -5.458 9.126 -2.799 608 HG13 ILE 76 HG13 ILE 76 -4.448 10.263 -1.933 609 HG21 ILE 76 HG21 ILE 76 -7.619 9.005 -2.317 610 HG22 ILE 76 HG22 ILE 76 -8.325 9.711 -0.861 611 HG23 ILE 76 HG23 ILE 76 -7.461 10.729 -2.033 612 HD11 ILE 76 HD11 ILE 76 -3.372 8.480 -0.732 613 HD12 ILE 76 HD12 ILE 76 -4.673 7.337 -1.121 614 HD13 ILE 76 HD13 ILE 76 -3.579 7.873 -2.404 615 H ASP 77 H ASP 77 -7.929 12.284 0.093 616 HA ASP 77 HA ASP 77 -9.712 12.868 1.356 617 HB2 ASP 77 HB2 ASP 77 -9.784 10.147 1.303 618 HB3 ASP 77 HB3 ASP 77 -9.701 10.397 3.022 619 H GLY 78 H GLY 78 -6.762 12.957 2.573 620 HA2 GLY 78 HA2 GLY 78 -5.926 14.048 4.476 621 HA3 GLY 78 HA3 GLY 78 -7.546 14.072 5.175 622 H LYS 79 H LYS 79 -6.634 10.959 3.938 623 HA LYS 79 HA LYS 79 -6.030 9.921 6.668 624 HB2 LYS 79 HB2 LYS 79 -6.649 8.397 4.099 625 HB3 LYS 79 HB3 LYS 79 -6.427 7.736 5.678 626 HG2 LYS 79 HG2 LYS 79 -8.778 9.182 4.553 627 HG3 LYS 79 HG3 LYS 79 -8.682 7.588 5.273 628 HD2 LYS 79 HD2 LYS 79 -8.522 8.553 7.511 629 HD3 LYS 79 HD3 LYS 79 -8.582 10.208 6.816 630 HE2 LYS 79 HE2 LYS 79 -10.741 9.724 5.750 631 HE3 LYS 79 HE3 LYS 79 -10.685 8.053 6.306 632 HZ1 LYS 79 HZ1 LYS 79 -12.105 9.232 7.672 633 HZ2 LYS 79 HZ2 LYS 79 -11.001 10.436 8.011 634 HZ3 LYS 79 HZ3 LYS 79 -10.811 8.864 8.573 635 H THR 80 H THR 80 -3.781 9.934 6.986 636 HA THR 80 HA THR 80 -1.959 9.994 4.709 637 HB THR 80 HB THR 80 -1.441 9.422 7.677 638 HG1 THR 80 HG1 THR 80 -1.539 11.965 6.395 639 HG21 THR 80 HG21 THR 80 0.519 9.086 6.140 640 HG22 THR 80 HG22 THR 80 0.757 10.324 7.372 641 HG23 THR 80 HG23 THR 80 0.384 10.807 5.712 642 H ILE 81 H ILE 81 -1.204 8.205 3.673 643 HA ILE 81 HA ILE 81 -1.939 5.519 4.578 644 HB ILE 81 HB ILE 81 0.008 6.228 2.351 645 HG12 ILE 81 HG12 ILE 81 -1.787 7.536 1.647 646 HG13 ILE 81 HG13 ILE 81 -1.955 6.035 0.758 647 HG21 ILE 81 HG21 ILE 81 0.017 3.889 2.888 648 HG22 ILE 81 HG22 ILE 81 -1.733 3.787 2.940 649 HG23 ILE 81 HG23 ILE 81 -0.940 4.057 1.406 650 HD11 ILE 81 HD11 ILE 81 -3.627 5.464 2.823 651 HD12 ILE 81 HD12 ILE 81 -3.693 7.211 2.925 652 HD13 ILE 81 HD13 ILE 81 -4.156 6.428 1.413 653 H ASN 82 H ASN 82 -0.768 4.580 6.269 654 HA ASN 82 HA ASN 82 1.645 5.881 7.213 655 HB2 ASN 82 HB2 ASN 82 0.290 3.339 8.099 656 HB3 ASN 82 HB3 ASN 82 1.591 4.084 8.900 657 HD21 ASN 82 HD21 ASN 82 0.065 3.931 10.770 658 HD22 ASN 82 HD22 ASN 82 -1.202 5.141 10.877 659 H VAL 83 H VAL 83 3.413 3.972 7.973 660 HA VAL 83 HA VAL 83 4.107 2.407 5.521 661 HB VAL 83 HB VAL 83 6.475 3.116 5.917 662 HG11 VAL 83 HG11 VAL 83 6.230 5.185 4.688 663 HG12 VAL 83 HG12 VAL 83 4.963 4.073 4.155 664 HG13 VAL 83 HG13 VAL 83 4.564 5.387 5.259 665 HG21 VAL 83 HG21 VAL 83 6.338 4.048 8.209 666 HG22 VAL 83 HG22 VAL 83 6.881 5.261 7.067 667 HG23 VAL 83 HG23 VAL 83 5.230 5.310 7.638 668 H GLU 84 H GLU 84 3.125 0.603 6.596 669 HA GLU 84 HA GLU 84 4.775 -0.581 8.784 670 HB2 GLU 84 HB2 GLU 84 1.866 -1.044 8.092 671 HB3 GLU 84 HB3 GLU 84 2.717 -1.724 9.468 672 HG2 GLU 84 HG2 GLU 84 2.242 1.279 9.093 673 HG3 GLU 84 HG3 GLU 84 1.095 0.201 9.850 674 H PHE 85 H PHE 85 5.611 -2.702 8.408 675 HA PHE 85 HA PHE 85 5.420 -3.803 5.708 676 HB2 PHE 85 HB2 PHE 85 6.567 -4.823 8.323 677 HB3 PHE 85 HB3 PHE 85 6.442 -5.854 6.913 678 HD1 PHE 85 HD1 PHE 85 8.444 -3.353 8.592 679 HD2 PHE 85 HD2 PHE 85 7.598 -5.039 4.687 680 HE1 PHE 85 HE1 PHE 85 10.663 -2.578 7.746 681 HE2 PHE 85 HE2 PHE 85 9.836 -4.308 3.919 682 HZ PHE 85 HZ PHE 85 11.360 -3.104 5.456 683 H ALA 86 H ALA 86 4.448 -5.866 5.176 684 HA ALA 86 HA ALA 86 2.149 -6.716 6.882 685 HB1 ALA 86 HB1 ALA 86 2.727 -7.270 3.960 686 HB2 ALA 86 HB2 ALA 86 1.239 -7.687 4.827 687 HB3 ALA 86 HB3 ALA 86 1.627 -5.995 4.461 688 H LYS 87 H LYS 87 1.893 -9.077 6.985 689 HA LYS 87 HA LYS 87 4.472 -10.549 6.697 690 HB2 LYS 87 HB2 LYS 87 2.207 -11.021 8.673 691 HB3 LYS 87 HB3 LYS 87 3.777 -11.820 8.600 692 HG2 LYS 87 HG2 LYS 87 4.742 -9.366 8.819 693 HG3 LYS 87 HG3 LYS 87 3.119 -8.961 9.396 694 HD2 LYS 87 HD2 LYS 87 4.976 -11.052 10.575 695 HD3 LYS 87 HD3 LYS 87 4.785 -9.400 11.171 696 HE2 LYS 87 HE2 LYS 87 2.457 -9.805 11.779 697 HE3 LYS 87 HE3 LYS 87 2.541 -11.443 11.095 698 HZ1 LYS 87 HZ1 LYS 87 4.075 -10.463 13.430 699 HZ2 LYS 87 HZ2 LYS 87 4.261 -11.948 12.731 700 HZ3 LYS 87 HZ3 LYS 87 2.845 -11.558 13.452 701 H GLY 88 H GLY 88 0.933 -10.805 6.294 702 HA2 GLY 88 HA2 GLY 88 -0.279 -12.178 4.824 703 HA3 GLY 88 HA3 GLY 88 1.222 -12.969 4.310 704 H SER 89 H SER 89 -0.504 -12.476 7.450 705 HA SER 89 HA SER 89 -0.668 -15.363 7.908 706 HB2 SER 89 HB2 SER 89 0.275 -15.034 10.237 707 HB3 SER 89 HB3 SER 89 1.449 -15.021 8.926 708 HG SER 89 HG SER 89 1.422 -13.306 10.704 Start of MODEL 17 1 H1 GLY 1 H GLY 1 10.110 -8.535 9.444 2 HA2 GLY 1 HA2 GLY 1 8.169 -8.840 8.087 3 HA3 GLY 1 HA3 GLY 1 8.233 -7.122 7.637 4 H HIS 2 H HIS 2 8.228 -9.169 5.701 5 HA HIS 2 HA HIS 2 10.143 -8.519 3.882 6 HB2 HIS 2 HB2 HIS 2 10.989 -10.925 5.538 7 HB3 HIS 2 HB3 HIS 2 11.342 -10.804 3.828 8 HD1 HIS 2 HD1 HIS 2 13.661 -10.878 6.030 9 HD2 HIS 2 HD2 HIS 2 12.123 -7.548 3.946 10 HE1 HIS 2 HE1 HIS 2 15.511 -9.136 5.965 11 H MET 3 H MET 3 10.263 -11.103 2.555 12 HA MET 3 HA MET 3 9.130 -12.392 1.143 13 HB2 MET 3 HB2 MET 3 6.600 -11.966 2.785 14 HB3 MET 3 HB3 MET 3 6.877 -13.189 1.569 15 HG2 MET 3 HG2 MET 3 8.874 -13.227 3.775 16 HG3 MET 3 HG3 MET 3 7.212 -13.479 4.270 17 HE1 MET 3 HE1 MET 3 9.507 -16.213 1.362 18 HE2 MET 3 HE2 MET 3 8.657 -14.797 0.720 19 HE3 MET 3 HE3 MET 3 9.998 -14.578 1.866 20 H ASP 4 H ASP 4 9.623 -9.713 0.646 21 HA ASP 4 HA ASP 4 8.940 -7.878 -0.660 22 HB2 ASP 4 HB2 ASP 4 8.510 -8.587 -2.926 23 HB3 ASP 4 HB3 ASP 4 9.853 -9.352 -2.107 24 H THR 5 H THR 5 7.104 -8.111 1.369 25 HA THR 5 HA THR 5 4.759 -7.077 -0.161 26 HB THR 5 HB THR 5 4.460 -8.853 2.303 27 HG1 THR 5 HG1 THR 5 5.263 -10.104 0.539 28 HG21 THR 5 HG21 THR 5 2.501 -7.343 1.727 29 HG22 THR 5 HG22 THR 5 2.147 -9.071 1.568 30 HG23 THR 5 HG23 THR 5 2.454 -8.079 0.123 31 H ILE 6 H ILE 6 3.698 -5.359 0.692 32 HA ILE 6 HA ILE 6 4.300 -4.451 3.450 33 HB ILE 6 HB ILE 6 4.340 -2.585 1.043 34 HG12 ILE 6 HG12 ILE 6 6.685 -3.501 2.790 35 HG13 ILE 6 HG13 ILE 6 6.409 -3.993 1.133 36 HG21 ILE 6 HG21 ILE 6 3.543 -1.504 3.176 37 HG22 ILE 6 HG22 ILE 6 5.056 -2.017 3.962 38 HG23 ILE 6 HG23 ILE 6 5.064 -0.847 2.630 39 HD11 ILE 6 HD11 ILE 6 7.989 -2.326 0.878 40 HD12 ILE 6 HD12 ILE 6 6.480 -1.484 0.524 41 HD13 ILE 6 HD13 ILE 6 7.271 -1.289 2.116 42 H ILE 7 H ILE 7 2.544 -3.177 4.357 43 HA ILE 7 HA ILE 7 -0.073 -3.583 3.081 44 HB ILE 7 HB ILE 7 0.613 -3.114 6.008 45 HG12 ILE 7 HG12 ILE 7 0.008 -5.569 4.402 46 HG13 ILE 7 HG13 ILE 7 1.240 -5.240 5.623 47 HG21 ILE 7 HG21 ILE 7 -1.510 -2.049 5.546 48 HG22 ILE 7 HG22 ILE 7 -2.072 -3.498 4.662 49 HG23 ILE 7 HG23 ILE 7 -1.822 -3.543 6.409 50 HD11 ILE 7 HD11 ILE 7 -0.257 -6.870 6.501 51 HD12 ILE 7 HD12 ILE 7 -0.524 -5.352 7.386 52 HD13 ILE 7 HD13 ILE 7 -1.670 -5.879 6.125 53 H LEU 8 H LEU 8 -1.014 -1.789 2.297 54 HA LEU 8 HA LEU 8 0.052 0.890 3.022 55 HB2 LEU 8 HB2 LEU 8 -2.227 0.444 1.111 56 HB3 LEU 8 HB3 LEU 8 -1.145 1.795 1.288 57 HG LEU 8 HG LEU 8 -0.458 -0.929 0.142 58 HD11 LEU 8 HD11 LEU 8 -0.183 0.562 -1.947 59 HD12 LEU 8 HD12 LEU 8 -1.034 1.806 -1.017 60 HD13 LEU 8 HD13 LEU 8 -1.825 0.252 -1.349 61 HD21 LEU 8 HD21 LEU 8 1.729 0.196 -0.524 62 HD22 LEU 8 HD22 LEU 8 1.559 -0.201 1.179 63 HD23 LEU 8 HD23 LEU 8 1.332 1.476 0.647 64 H ARG 9 H ARG 9 -0.754 1.409 5.047 65 HA ARG 9 HA ARG 9 -3.419 0.658 5.966 66 HB2 ARG 9 HB2 ARG 9 -1.060 1.630 7.225 67 HB3 ARG 9 HB3 ARG 9 -2.146 3.011 7.248 68 HG2 ARG 9 HG2 ARG 9 -3.921 1.655 8.316 69 HG3 ARG 9 HG3 ARG 9 -2.798 0.266 8.298 70 HD2 ARG 9 HD2 ARG 9 -1.252 1.473 9.731 71 HD3 ARG 9 HD3 ARG 9 -2.131 2.964 9.548 72 HE ARG 9 HE ARG 9 -3.323 0.606 10.938 73 HH11 ARG 9 HH11 ARG 9 -2.005 3.927 11.339 74 HH12 ARG 9 HH12 ARG 9 -2.626 4.038 12.935 75 HH21 ARG 9 HH21 ARG 9 -4.149 0.869 12.981 76 HH22 ARG 9 HH22 ARG 9 -3.992 2.364 13.845 77 H ASN 10 H ASN 10 -4.775 2.573 6.859 78 HA ASN 10 HA ASN 10 -6.082 4.415 6.607 79 HB2 ASN 10 HB2 ASN 10 -3.348 5.198 5.994 80 HB3 ASN 10 HB3 ASN 10 -4.436 6.174 5.057 81 HD21 ASN 10 HD21 ASN 10 -2.734 6.989 6.926 82 HD22 ASN 10 HD22 ASN 10 -3.545 7.799 8.270 83 H LEU 11 H LEU 11 -5.945 2.372 4.383 84 HA LEU 11 HA LEU 11 -6.037 3.779 1.917 85 HB2 LEU 11 HB2 LEU 11 -5.410 1.256 2.712 86 HB3 LEU 11 HB3 LEU 11 -7.034 0.974 2.147 87 HG LEU 11 HG LEU 11 -5.285 0.534 0.482 88 HD11 LEU 11 HD11 LEU 11 -7.562 1.086 -0.236 89 HD12 LEU 11 HD12 LEU 11 -6.374 1.656 -1.421 90 HD13 LEU 11 HD13 LEU 11 -7.121 2.802 -0.310 91 HD21 LEU 11 HD21 LEU 11 -3.912 2.071 -0.563 92 HD22 LEU 11 HD22 LEU 11 -3.767 2.450 1.167 93 HD23 LEU 11 HD23 LEU 11 -4.775 3.463 0.097 94 H ASN 12 H ASN 12 -7.619 5.232 2.346 95 HA ASN 12 HA ASN 12 -9.971 5.262 3.359 96 HB2 ASN 12 HB2 ASN 12 -8.839 7.211 2.487 97 HB3 ASN 12 HB3 ASN 12 -9.156 6.716 0.834 98 HD21 ASN 12 HD21 ASN 12 -10.679 7.964 3.794 99 HD22 ASN 12 HD22 ASN 12 -12.133 8.469 2.910 100 HA PRO 13 HA PRO 13 -12.722 2.570 1.044 101 HB2 PRO 13 HB2 PRO 13 -15.199 3.759 1.503 102 HB3 PRO 13 HB3 PRO 13 -14.310 2.704 2.644 103 HG2 PRO 13 HG2 PRO 13 -14.288 5.738 2.460 104 HG3 PRO 13 HG3 PRO 13 -14.553 4.733 3.912 105 HD2 PRO 13 HD2 PRO 13 -12.157 5.745 3.470 106 HD3 PRO 13 HD3 PRO 13 -12.220 4.028 3.903 107 H HIS 14 H HIS 14 -12.557 5.889 0.176 108 HA HIS 14 HA HIS 14 -13.843 5.402 -2.458 109 HB2 HIS 14 HB2 HIS 14 -13.743 7.779 -0.638 110 HB3 HIS 14 HB3 HIS 14 -13.891 8.030 -2.362 111 HD1 HIS 14 HD1 HIS 14 -16.285 7.779 -3.341 112 HD2 HIS 14 HD2 HIS 14 -15.697 5.822 0.351 113 HE1 HIS 14 HE1 HIS 14 -18.508 6.683 -2.727 114 H SER 15 H SER 15 -10.757 5.735 -1.139 115 HA SER 15 HA SER 15 -9.479 7.271 -3.144 116 HB2 SER 15 HB2 SER 15 -7.419 6.127 -2.420 117 HB3 SER 15 HB3 SER 15 -8.383 6.723 -1.076 118 HG SER 15 HG SER 15 -9.176 4.597 -0.755 119 H THR 16 H THR 16 -8.666 6.856 -5.146 120 HA THR 16 HA THR 16 -9.531 4.452 -6.527 121 HB THR 16 HB THR 16 -8.677 6.015 -8.449 122 HG1 THR 16 HG1 THR 16 -8.727 8.251 -7.753 123 HG21 THR 16 HG21 THR 16 -10.973 6.921 -6.644 124 HG22 THR 16 HG22 THR 16 -11.067 5.665 -7.894 125 HG23 THR 16 HG23 THR 16 -10.762 7.358 -8.347 126 H MET 17 H MET 17 -8.122 2.770 -6.785 127 HA MET 17 HA MET 17 -5.383 2.639 -6.057 128 HB2 MET 17 HB2 MET 17 -6.757 0.659 -6.623 129 HB3 MET 17 HB3 MET 17 -6.841 1.286 -8.304 130 HG2 MET 17 HG2 MET 17 -4.582 1.025 -8.692 131 HG3 MET 17 HG3 MET 17 -4.239 0.562 -7.026 132 HE1 MET 17 HE1 MET 17 -6.916 -0.572 -9.818 133 HE2 MET 17 HE2 MET 17 -5.310 -0.482 -10.587 134 HE3 MET 17 HE3 MET 17 -6.103 -2.060 -10.364 135 H ASP 18 H ASP 18 -6.884 3.398 -9.181 136 HA ASP 18 HA ASP 18 -4.541 3.663 -10.667 137 HB2 ASP 18 HB2 ASP 18 -6.917 3.402 -11.485 138 HB3 ASP 18 HB3 ASP 18 -7.169 5.121 -11.173 139 H SER 19 H SER 19 -5.663 5.890 -8.270 140 HA SER 19 HA SER 19 -3.797 7.989 -9.238 141 HB2 SER 19 HB2 SER 19 -6.054 8.056 -7.218 142 HB3 SER 19 HB3 SER 19 -4.918 9.372 -7.510 143 HG SER 19 HG SER 19 -6.295 8.222 -9.700 144 H ILE 20 H ILE 20 -4.588 5.794 -6.461 145 HA ILE 20 HA ILE 20 -2.413 6.489 -4.803 146 HB ILE 20 HB ILE 20 -3.551 3.727 -5.179 147 HG12 ILE 20 HG12 ILE 20 -4.144 5.652 -2.890 148 HG13 ILE 20 HG13 ILE 20 -5.134 5.647 -4.346 149 HG21 ILE 20 HG21 ILE 20 -1.710 4.943 -3.067 150 HG22 ILE 20 HG22 ILE 20 -2.532 3.390 -2.865 151 HG23 ILE 20 HG23 ILE 20 -1.354 3.595 -4.162 152 HD11 ILE 20 HD11 ILE 20 -5.810 3.348 -4.016 153 HD12 ILE 20 HD12 ILE 20 -4.720 3.174 -2.625 154 HD13 ILE 20 HD13 ILE 20 -6.090 4.269 -2.530 155 H LEU 21 H LEU 21 -2.472 3.958 -7.424 156 HA LEU 21 HA LEU 21 0.136 3.167 -7.233 157 HB2 LEU 21 HB2 LEU 21 -1.738 3.439 -9.598 158 HB3 LEU 21 HB3 LEU 21 -0.091 2.897 -9.887 159 HG LEU 21 HG LEU 21 -1.867 1.528 -7.851 160 HD11 LEU 21 HD11 LEU 21 -2.344 -0.160 -9.559 161 HD12 LEU 21 HD12 LEU 21 -1.452 0.801 -10.774 162 HD13 LEU 21 HD13 LEU 21 -2.941 1.427 -10.062 163 HD21 LEU 21 HD21 LEU 21 0.674 0.695 -9.340 164 HD22 LEU 21 HD22 LEU 21 -0.203 -0.315 -8.175 165 HD23 LEU 21 HD23 LEU 21 0.611 1.153 -7.644 166 H GLY 22 H GLY 22 -0.842 6.068 -9.106 167 HA2 GLY 22 HA2 GLY 22 1.842 6.334 -10.197 168 HA3 GLY 22 HA3 GLY 22 0.506 7.494 -10.367 169 H ALA 23 H ALA 23 0.358 7.409 -7.224 170 HA ALA 23 HA ALA 23 2.692 9.191 -6.692 171 HB1 ALA 23 HB1 ALA 23 -0.107 9.329 -5.588 172 HB2 ALA 23 HB2 ALA 23 1.274 10.340 -5.081 173 HB3 ALA 23 HB3 ALA 23 0.647 10.448 -6.731 174 H LEU 24 H LEU 24 2.079 6.110 -6.441 175 HA LEU 24 HA LEU 24 3.415 5.868 -3.854 176 HB2 LEU 24 HB2 LEU 24 0.716 5.633 -3.820 177 HB3 LEU 24 HB3 LEU 24 1.098 4.005 -4.333 178 HG LEU 24 HG LEU 24 2.945 4.371 -2.278 179 HD11 LEU 24 HD11 LEU 24 1.829 5.583 -0.476 180 HD12 LEU 24 HD12 LEU 24 0.435 5.918 -1.530 181 HD13 LEU 24 HD13 LEU 24 2.011 6.642 -1.906 182 HD21 LEU 24 HD21 LEU 24 1.378 3.170 -0.827 183 HD22 LEU 24 HD22 LEU 24 1.544 2.458 -2.443 184 HD23 LEU 24 HD23 LEU 24 0.093 3.419 -2.043 185 H ALA 25 H ALA 25 4.135 5.442 -6.706 186 HA ALA 25 HA ALA 25 5.611 2.999 -5.968 187 HB1 ALA 25 HB1 ALA 25 5.314 1.897 -8.137 188 HB2 ALA 25 HB2 ALA 25 3.743 2.111 -7.340 189 HB3 ALA 25 HB3 ALA 25 4.214 3.177 -8.677 190 HA PRO 26 HA PRO 26 8.166 6.399 -7.826 191 HB2 PRO 26 HB2 PRO 26 10.001 6.613 -5.771 192 HB3 PRO 26 HB3 PRO 26 8.467 7.540 -5.862 193 HG2 PRO 26 HG2 PRO 26 9.051 5.037 -4.289 194 HG3 PRO 26 HG3 PRO 26 8.156 6.492 -3.774 195 HD2 PRO 26 HD2 PRO 26 6.947 4.196 -4.650 196 HD3 PRO 26 HD3 PRO 26 6.231 5.814 -4.928 197 H TYR 27 H TYR 27 8.960 3.165 -6.407 198 HA TYR 27 HA TYR 27 11.274 3.037 -8.267 199 HB2 TYR 27 HB2 TYR 27 11.122 1.840 -5.467 200 HB3 TYR 27 HB3 TYR 27 12.428 1.687 -6.609 201 HD1 TYR 27 HD1 TYR 27 10.824 3.825 -4.157 202 HD2 TYR 27 HD2 TYR 27 13.930 3.648 -7.115 203 HE1 TYR 27 HE1 TYR 27 11.955 5.765 -3.081 204 HE2 TYR 27 HE2 TYR 27 15.090 5.580 -6.022 205 HH TYR 27 HH TYR 27 15.062 7.094 -4.176 206 H ALA 28 H ALA 28 8.878 1.186 -6.329 207 HA ALA 28 HA ALA 28 9.268 -1.266 -7.560 208 HB1 ALA 28 HB1 ALA 28 7.237 -1.938 -6.483 209 HB2 ALA 28 HB2 ALA 28 8.019 -0.768 -5.416 210 HB3 ALA 28 HB3 ALA 28 6.630 -0.260 -6.403 211 H VAL 29 H VAL 29 8.316 -2.388 -9.288 212 HA VAL 29 HA VAL 29 7.407 -0.460 -11.372 213 HB VAL 29 HB VAL 29 8.706 -3.157 -11.835 214 HG11 VAL 29 HG11 VAL 29 8.393 -0.583 -13.449 215 HG12 VAL 29 HG12 VAL 29 9.333 -2.006 -13.988 216 HG13 VAL 29 HG13 VAL 29 7.583 -2.121 -13.758 217 HG21 VAL 29 HG21 VAL 29 10.305 -1.928 -10.456 218 HG22 VAL 29 HG22 VAL 29 10.842 -1.889 -12.135 219 HG23 VAL 29 HG23 VAL 29 10.063 -0.460 -11.426 220 H LEU 30 H LEU 30 5.335 -0.831 -10.160 221 HA LEU 30 HA LEU 30 3.887 -3.325 -11.024 222 HB2 LEU 30 HB2 LEU 30 3.235 -2.052 -8.413 223 HB3 LEU 30 HB3 LEU 30 3.077 -3.721 -8.898 224 HG LEU 30 HG LEU 30 5.748 -2.395 -8.343 225 HD11 LEU 30 HD11 LEU 30 3.831 -3.757 -6.482 226 HD12 LEU 30 HD12 LEU 30 4.615 -2.155 -6.331 227 HD13 LEU 30 HD13 LEU 30 5.567 -3.615 -6.150 228 HD21 LEU 30 HD21 LEU 30 6.614 -4.628 -8.092 229 HD22 LEU 30 HD22 LEU 30 5.801 -4.556 -9.665 230 HD23 LEU 30 HD23 LEU 30 5.003 -5.339 -8.281 231 H SER 31 H SER 31 1.564 -3.276 -10.856 232 HA SER 31 HA SER 31 -0.151 -1.132 -10.361 233 HB2 SER 31 HB2 SER 31 0.520 -1.570 -13.308 234 HB3 SER 31 HB3 SER 31 -1.042 -0.942 -12.774 235 HG SER 31 HG SER 31 1.090 0.410 -13.219 236 H SER 32 H SER 32 -2.088 -2.133 -10.030 237 HA SER 32 HA SER 32 -3.746 -3.620 -9.882 238 HB2 SER 32 HB2 SER 32 -4.148 -3.013 -12.153 239 HB3 SER 32 HB3 SER 32 -2.901 -4.140 -12.720 240 HG SER 32 HG SER 32 -5.502 -4.626 -12.288 241 H SER 33 H SER 33 -1.330 -5.590 -11.709 242 HA SER 33 HA SER 33 -2.053 -8.110 -10.846 243 HB2 SER 33 HB2 SER 33 0.782 -7.116 -11.286 244 HB3 SER 33 HB3 SER 33 0.259 -8.789 -11.300 245 HG SER 33 HG SER 33 -0.943 -6.963 -13.116 246 H ASN 34 H ASN 34 0.141 -5.829 -9.194 247 HA ASN 34 HA ASN 34 0.507 -7.746 -6.968 248 HB2 ASN 34 HB2 ASN 34 1.723 -5.068 -7.711 249 HB3 ASN 34 HB3 ASN 34 2.041 -5.789 -6.172 250 HD21 ASN 34 HD21 ASN 34 2.448 -6.342 -9.616 251 HD22 ASN 34 HD22 ASN 34 3.735 -7.530 -9.345 252 H VAL 35 H VAL 35 -2.060 -5.847 -7.475 253 HA VAL 35 HA VAL 35 -2.000 -4.504 -4.822 254 HB VAL 35 HB VAL 35 -3.291 -3.614 -7.429 255 HG11 VAL 35 HG11 VAL 35 -4.268 -2.442 -5.598 256 HG12 VAL 35 HG12 VAL 35 -2.689 -2.194 -4.808 257 HG13 VAL 35 HG13 VAL 35 -3.089 -1.337 -6.299 258 HG21 VAL 35 HG21 VAL 35 -0.548 -2.946 -6.313 259 HG22 VAL 35 HG22 VAL 35 -0.908 -3.731 -7.864 260 HG23 VAL 35 HG23 VAL 35 -1.366 -2.055 -7.619 261 H ARG 36 H ARG 36 -3.375 -5.419 -3.335 262 HA ARG 36 HA ARG 36 -6.210 -5.958 -4.192 263 HB2 ARG 36 HB2 ARG 36 -5.041 -8.065 -4.093 264 HB3 ARG 36 HB3 ARG 36 -4.485 -7.714 -2.463 265 HG2 ARG 36 HG2 ARG 36 -6.397 -9.245 -2.421 266 HG3 ARG 36 HG3 ARG 36 -6.797 -7.740 -1.625 267 HD2 ARG 36 HD2 ARG 36 -8.635 -8.628 -2.976 268 HD3 ARG 36 HD3 ARG 36 -8.183 -7.014 -3.502 269 HE ARG 36 HE ARG 36 -7.035 -9.422 -4.886 270 HH11 ARG 36 HH11 ARG 36 -9.222 -6.623 -5.101 271 HH12 ARG 36 HH12 ARG 36 -9.216 -6.605 -6.840 272 HH21 ARG 36 HH21 ARG 36 -7.112 -9.403 -7.193 273 HH22 ARG 36 HH22 ARG 36 -8.051 -8.211 -8.026 274 H VAL 37 H VAL 37 -7.431 -4.577 -3.323 275 HA VAL 37 HA VAL 37 -7.228 -3.551 -0.626 276 HB VAL 37 HB VAL 37 -9.410 -3.497 -2.780 277 HG11 VAL 37 HG11 VAL 37 -10.214 -3.176 -0.352 278 HG12 VAL 37 HG12 VAL 37 -9.214 -1.718 -0.304 279 HG13 VAL 37 HG13 VAL 37 -10.541 -1.875 -1.471 280 HG21 VAL 37 HG21 VAL 37 -7.357 -1.398 -1.918 281 HG22 VAL 37 HG22 VAL 37 -7.545 -2.110 -3.519 282 HG23 VAL 37 HG23 VAL 37 -8.774 -1.012 -2.875 283 H ILE 38 H ILE 38 -8.174 -4.593 1.090 284 HA ILE 38 HA ILE 38 -9.617 -7.132 0.664 285 HB ILE 38 HB ILE 38 -9.036 -5.561 3.210 286 HG12 ILE 38 HG12 ILE 38 -6.891 -6.124 2.490 287 HG13 ILE 38 HG13 ILE 38 -7.314 -7.398 3.614 288 HG21 ILE 38 HG21 ILE 38 -9.936 -8.448 2.840 289 HG22 ILE 38 HG22 ILE 38 -9.567 -7.649 4.384 290 HG23 ILE 38 HG23 ILE 38 -10.942 -7.105 3.422 291 HD11 ILE 38 HD11 ILE 38 -7.877 -8.869 1.606 292 HD12 ILE 38 HD12 ILE 38 -7.200 -7.583 0.566 293 HD13 ILE 38 HD13 ILE 38 -6.179 -8.390 1.760 294 H LYS 39 H LYS 39 -11.236 -6.158 -0.759 295 HA LYS 39 HA LYS 39 -12.753 -3.915 0.058 296 HB2 LYS 39 HB2 LYS 39 -13.667 -6.138 -1.821 297 HB3 LYS 39 HB3 LYS 39 -14.147 -4.467 -1.760 298 HG2 LYS 39 HG2 LYS 39 -11.565 -4.001 -2.376 299 HG3 LYS 39 HG3 LYS 39 -11.549 -5.680 -2.819 300 HD2 LYS 39 HD2 LYS 39 -12.139 -4.513 -4.818 301 HD3 LYS 39 HD3 LYS 39 -13.601 -5.288 -4.199 302 HE2 LYS 39 HE2 LYS 39 -14.573 -3.286 -4.562 303 HE3 LYS 39 HE3 LYS 39 -13.886 -2.858 -2.996 304 HZ1 LYS 39 HZ1 LYS 39 -12.697 -2.301 -5.637 305 HZ2 LYS 39 HZ2 LYS 39 -12.013 -1.817 -4.220 306 HZ3 LYS 39 HZ3 LYS 39 -13.464 -1.226 -4.692 307 H ASP 40 H ASP 40 -14.832 -3.721 1.182 308 HA ASP 40 HA ASP 40 -15.359 -6.102 2.863 309 HB2 ASP 40 HB2 ASP 40 -15.390 -3.798 3.868 310 HB3 ASP 40 HB3 ASP 40 -16.959 -3.571 3.052 311 H LYS 41 H LYS 41 -16.985 -7.579 2.422 312 HA LYS 41 HA LYS 41 -18.656 -7.719 0.285 313 HB2 LYS 41 HB2 LYS 41 -20.145 -9.088 1.586 314 HB3 LYS 41 HB3 LYS 41 -18.441 -9.541 1.821 315 HG2 LYS 41 HG2 LYS 41 -18.683 -8.134 3.927 316 HG3 LYS 41 HG3 LYS 41 -20.436 -8.112 3.640 317 HD2 LYS 41 HD2 LYS 41 -20.128 -9.814 5.130 318 HD3 LYS 41 HD3 LYS 41 -20.306 -10.656 3.591 319 HE2 LYS 41 HE2 LYS 41 -18.491 -11.812 4.337 320 HE3 LYS 41 HE3 LYS 41 -17.580 -10.456 3.665 321 HZ1 LYS 41 HZ1 LYS 41 -17.072 -11.180 6.017 322 HZ2 LYS 41 HZ2 LYS 41 -18.521 -10.580 6.456 323 HZ3 LYS 41 HZ3 LYS 41 -17.353 -9.560 5.841 324 H GLN 42 H GLN 42 -19.417 -5.906 3.216 325 HA GLN 42 HA GLN 42 -22.201 -5.689 2.388 326 HB2 GLN 42 HB2 GLN 42 -21.037 -5.924 4.781 327 HB3 GLN 42 HB3 GLN 42 -20.922 -4.159 4.653 328 HG2 GLN 42 HG2 GLN 42 -22.859 -5.035 5.999 329 HG3 GLN 42 HG3 GLN 42 -23.338 -3.943 4.708 330 HE21 GLN 42 HE21 GLN 42 -24.585 -4.774 2.961 331 HE22 GLN 42 HE22 GLN 42 -25.236 -6.394 2.972 332 H THR 43 H THR 43 -19.765 -3.989 1.141 333 HA THR 43 HA THR 43 -21.536 -1.854 0.489 334 HB THR 43 HB THR 43 -20.802 -0.990 2.651 335 HG1 THR 43 HG1 THR 43 -21.153 0.682 1.489 336 HG21 THR 43 HG21 THR 43 -18.485 -0.254 3.038 337 HG22 THR 43 HG22 THR 43 -17.979 -1.158 1.599 338 HG23 THR 43 HG23 THR 43 -18.669 -2.014 2.985 339 H GLN 44 H GLN 44 -18.523 -3.567 0.200 340 HA GLN 44 HA GLN 44 -16.958 -3.923 -1.240 341 HB2 GLN 44 HB2 GLN 44 -19.002 -2.968 -3.243 342 HB3 GLN 44 HB3 GLN 44 -17.440 -3.671 -3.688 343 HG2 GLN 44 HG2 GLN 44 -19.460 -5.064 -1.874 344 HG3 GLN 44 HG3 GLN 44 -19.374 -5.281 -3.630 345 HE21 GLN 44 HE21 GLN 44 -19.212 -7.359 -1.793 346 HE22 GLN 44 HE22 GLN 44 -17.580 -7.906 -1.483 347 H LEU 45 H LEU 45 -16.597 -1.913 0.322 348 HA LEU 45 HA LEU 45 -15.106 0.105 -1.275 349 HB2 LEU 45 HB2 LEU 45 -16.249 0.427 1.531 350 HB3 LEU 45 HB3 LEU 45 -15.392 1.635 0.584 351 HG LEU 45 HG LEU 45 -18.115 0.474 -0.138 352 HD11 LEU 45 HD11 LEU 45 -17.363 3.217 0.979 353 HD12 LEU 45 HD12 LEU 45 -18.321 1.936 1.796 354 HD13 LEU 45 HD13 LEU 45 -18.960 2.740 0.383 355 HD21 LEU 45 HD21 LEU 45 -18.139 2.239 -1.849 356 HD22 LEU 45 HD22 LEU 45 -16.838 1.080 -2.109 357 HD23 LEU 45 HD23 LEU 45 -16.473 2.666 -1.368 358 H ASN 46 H ASN 46 -13.229 0.927 0.073 359 HA ASN 46 HA ASN 46 -11.567 -1.369 0.520 360 HB2 ASN 46 HB2 ASN 46 -10.883 1.532 1.094 361 HB3 ASN 46 HB3 ASN 46 -9.744 0.232 0.840 362 HD21 ASN 46 HD21 ASN 46 -9.256 2.395 -0.563 363 HD22 ASN 46 HD22 ASN 46 -9.779 2.426 -2.194 364 H ARG 47 H ARG 47 -11.096 -2.421 2.463 365 HA ARG 47 HA ARG 47 -12.354 -1.709 4.929 366 HB2 ARG 47 HB2 ARG 47 -10.275 -3.698 4.027 367 HB3 ARG 47 HB3 ARG 47 -10.309 -3.355 5.723 368 HG2 ARG 47 HG2 ARG 47 -12.938 -4.018 4.385 369 HG3 ARG 47 HG3 ARG 47 -11.790 -5.313 4.745 370 HD2 ARG 47 HD2 ARG 47 -11.738 -4.879 7.046 371 HD3 ARG 47 HD3 ARG 47 -12.518 -3.294 6.883 372 HE ARG 47 HE ARG 47 -14.440 -5.064 5.962 373 HH11 ARG 47 HH11 ARG 47 -12.566 -4.939 8.998 374 HH12 ARG 47 HH12 ARG 47 -13.897 -5.500 9.959 375 HH21 ARG 47 HH21 ARG 47 -16.086 -5.729 7.176 376 HH22 ARG 47 HH22 ARG 47 -16.020 -5.878 8.924 377 H GLY 48 H GLY 48 -9.229 -0.759 3.590 378 HA2 GLY 48 HA2 GLY 48 -8.499 1.460 4.651 379 HA3 GLY 48 HA3 GLY 48 -8.588 0.628 6.190 380 H PHE 49 H PHE 49 -7.542 -1.846 4.367 381 HA PHE 49 HA PHE 49 -4.729 -0.997 4.344 382 HB2 PHE 49 HB2 PHE 49 -4.133 -3.207 5.461 383 HB3 PHE 49 HB3 PHE 49 -4.723 -1.895 6.417 384 HD1 PHE 49 HD1 PHE 49 -5.915 -5.065 4.816 385 HD2 PHE 49 HD2 PHE 49 -6.611 -2.052 7.814 386 HE1 PHE 49 HE1 PHE 49 -7.777 -6.431 5.764 387 HE2 PHE 49 HE2 PHE 49 -8.482 -3.376 8.713 388 HZ PHE 49 HZ PHE 49 -9.080 -5.568 7.689 389 H ALA 50 H ALA 50 -3.884 -1.401 2.449 390 HA ALA 50 HA ALA 50 -5.018 -3.525 0.644 391 HB1 ALA 50 HB1 ALA 50 -4.681 -1.393 -0.574 392 HB2 ALA 50 HB2 ALA 50 -3.055 -1.243 0.128 393 HB3 ALA 50 HB3 ALA 50 -3.398 -2.519 -1.024 394 H PHE 51 H PHE 51 -3.356 -4.910 -0.369 395 HA PHE 51 HA PHE 51 -0.729 -4.982 1.058 396 HB2 PHE 51 HB2 PHE 51 -2.195 -7.209 -0.391 397 HB3 PHE 51 HB3 PHE 51 -0.476 -7.222 -0.055 398 HD1 PHE 51 HD1 PHE 51 -0.056 -8.960 1.429 399 HD2 PHE 51 HD2 PHE 51 -3.355 -6.323 2.160 400 HE1 PHE 51 HE1 PHE 51 -0.486 -10.115 3.578 401 HE2 PHE 51 HE2 PHE 51 -3.837 -7.505 4.308 402 HZ PHE 51 HZ PHE 51 -2.418 -9.425 4.997 403 H ILE 52 H ILE 52 0.962 -4.764 -0.227 404 HA ILE 52 HA ILE 52 0.676 -4.833 -3.183 405 HB ILE 52 HB ILE 52 2.504 -3.006 -1.589 406 HG12 ILE 52 HG12 ILE 52 0.151 -2.225 -1.532 407 HG13 ILE 52 HG13 ILE 52 1.271 -1.141 -2.328 408 HG21 ILE 52 HG21 ILE 52 2.911 -1.979 -3.905 409 HG22 ILE 52 HG22 ILE 52 3.661 -3.539 -3.588 410 HG23 ILE 52 HG23 ILE 52 2.190 -3.458 -4.580 411 HD11 ILE 52 HD11 ILE 52 0.407 -1.724 -4.517 412 HD12 ILE 52 HD12 ILE 52 -0.587 -3.027 -3.822 413 HD13 ILE 52 HD13 ILE 52 -0.949 -1.330 -3.453 414 H GLN 53 H GLN 53 2.160 -6.277 -4.138 415 HA GLN 53 HA GLN 53 4.182 -7.504 -2.389 416 HB2 GLN 53 HB2 GLN 53 2.680 -9.073 -3.454 417 HB3 GLN 53 HB3 GLN 53 2.867 -8.311 -4.986 418 HG2 GLN 53 HG2 GLN 53 4.427 -9.842 -5.489 419 HG3 GLN 53 HG3 GLN 53 5.516 -9.113 -4.325 420 HE21 GLN 53 HE21 GLN 53 5.371 -9.916 -2.089 421 HE22 GLN 53 HE22 GLN 53 5.116 -11.604 -1.826 422 H LEU 54 H LEU 54 6.348 -7.349 -3.176 423 HA LEU 54 HA LEU 54 6.940 -4.985 -4.932 424 HB2 LEU 54 HB2 LEU 54 8.271 -6.222 -2.493 425 HB3 LEU 54 HB3 LEU 54 9.210 -5.272 -3.591 426 HG LEU 54 HG LEU 54 8.651 -3.896 -1.808 427 HD11 LEU 54 HD11 LEU 54 6.787 -2.956 -4.009 428 HD12 LEU 54 HD12 LEU 54 8.550 -2.883 -4.116 429 HD13 LEU 54 HD13 LEU 54 7.722 -1.977 -2.867 430 HD21 LEU 54 HD21 LEU 54 6.672 -5.051 -0.937 431 HD22 LEU 54 HD22 LEU 54 5.694 -4.395 -2.273 432 HD23 LEU 54 HD23 LEU 54 6.428 -3.303 -1.087 433 H SER 55 H SER 55 9.452 -5.259 -5.798 434 HA SER 55 HA SER 55 9.613 -7.520 -7.509 435 HB2 SER 55 HB2 SER 55 11.650 -5.532 -6.468 436 HB3 SER 55 HB3 SER 55 12.141 -6.936 -7.411 437 HG SER 55 HG SER 55 11.771 -5.040 -8.632 438 H THR 56 H THR 56 11.326 -6.744 -4.398 439 HA THR 56 HA THR 56 11.307 -9.490 -3.528 440 HB THR 56 HB THR 56 13.745 -9.606 -3.102 441 HG1 THR 56 HG1 THR 56 14.140 -7.732 -5.131 442 HG21 THR 56 HG21 THR 56 13.205 -9.489 -6.074 443 HG22 THR 56 HG22 THR 56 12.673 -10.789 -4.980 444 HG23 THR 56 HG23 THR 56 14.390 -10.481 -5.192 445 H ILE 57 H ILE 57 12.547 -9.527 -1.320 446 HA ILE 57 HA ILE 57 11.883 -7.590 0.589 447 HB ILE 57 HB ILE 57 13.816 -8.502 1.861 448 HG12 ILE 57 HG12 ILE 57 14.341 -10.650 -0.171 449 HG13 ILE 57 HG13 ILE 57 15.066 -9.096 -0.535 450 HG21 ILE 57 HG21 ILE 57 12.065 -10.574 0.495 451 HG22 ILE 57 HG22 ILE 57 12.882 -10.742 2.062 452 HG23 ILE 57 HG23 ILE 57 11.593 -9.525 1.852 453 HD11 ILE 57 HD11 ILE 57 16.199 -9.014 1.607 454 HD12 ILE 57 HD12 ILE 57 15.443 -10.552 2.096 455 HD13 ILE 57 HD13 ILE 57 16.604 -10.506 0.744 456 H VAL 58 H VAL 58 14.405 -7.384 -1.809 457 HA VAL 58 HA VAL 58 15.993 -5.418 -0.496 458 HB VAL 58 HB VAL 58 15.603 -5.824 -3.498 459 HG11 VAL 58 HG11 VAL 58 16.667 -3.692 -3.101 460 HG12 VAL 58 HG12 VAL 58 17.747 -4.370 -1.884 461 HG13 VAL 58 HG13 VAL 58 17.911 -4.817 -3.618 462 HG21 VAL 58 HG21 VAL 58 17.693 -7.187 -3.299 463 HG22 VAL 58 HG22 VAL 58 17.634 -6.999 -1.521 464 HG23 VAL 58 HG23 VAL 58 16.371 -7.890 -2.374 465 H GLU 59 H GLU 59 12.905 -5.154 -2.260 466 HA GLU 59 HA GLU 59 12.921 -2.209 -1.851 467 HB2 GLU 59 HB2 GLU 59 10.823 -4.083 -2.949 468 HB3 GLU 59 HB3 GLU 59 10.682 -2.323 -2.809 469 HG2 GLU 59 HG2 GLU 59 12.790 -2.215 -4.306 470 HG3 GLU 59 HG3 GLU 59 12.513 -3.945 -4.625 471 H ALA 60 H ALA 60 11.117 -5.173 -0.821 472 HA ALA 60 HA ALA 60 9.520 -3.731 1.074 473 HB1 ALA 60 HB1 ALA 60 8.527 -5.796 1.642 474 HB2 ALA 60 HB2 ALA 60 8.743 -5.724 -0.112 475 HB3 ALA 60 HB3 ALA 60 9.851 -6.711 0.888 476 H ALA 61 H ALA 61 11.971 -3.031 1.810 477 HA ALA 61 HA ALA 61 11.821 -3.356 4.563 478 HB1 ALA 61 HB1 ALA 61 13.182 -5.377 4.370 479 HB2 ALA 61 HB2 ALA 61 14.331 -4.569 3.292 480 HB3 ALA 61 HB3 ALA 61 14.218 -4.090 5.006 481 H GLN 62 H GLN 62 14.127 -2.539 1.944 482 HA GLN 62 HA GLN 62 15.152 -0.196 3.261 483 HB2 GLN 62 HB2 GLN 62 15.249 -1.159 0.385 484 HB3 GLN 62 HB3 GLN 62 15.981 0.349 0.899 485 HG2 GLN 62 HG2 GLN 62 17.644 -1.446 0.779 486 HG3 GLN 62 HG3 GLN 62 17.493 -0.750 2.392 487 HE21 GLN 62 HE21 GLN 62 15.872 -3.414 0.544 488 HE22 GLN 62 HE22 GLN 62 15.857 -4.544 1.887 489 H LEU 63 H LEU 63 12.888 -0.544 0.408 490 HA LEU 63 HA LEU 63 12.591 2.104 -0.099 491 HB2 LEU 63 HB2 LEU 63 11.362 -0.298 -0.998 492 HB3 LEU 63 HB3 LEU 63 10.040 0.727 -0.481 493 HG LEU 63 HG LEU 63 11.305 2.557 -1.857 494 HD11 LEU 63 HD11 LEU 63 12.286 0.045 -3.275 495 HD12 LEU 63 HD12 LEU 63 13.313 1.052 -2.228 496 HD13 LEU 63 HD13 LEU 63 12.631 1.726 -3.698 497 HD21 LEU 63 HD21 LEU 63 9.790 0.252 -3.183 498 HD22 LEU 63 HD22 LEU 63 9.881 1.909 -3.782 499 HD23 LEU 63 HD23 LEU 63 9.044 1.610 -2.288 500 H LEU 64 H LEU 64 10.821 0.246 2.346 501 HA LEU 64 HA LEU 64 8.807 1.977 3.169 502 HB2 LEU 64 HB2 LEU 64 9.328 -0.308 4.010 503 HB3 LEU 64 HB3 LEU 64 10.712 0.324 4.882 504 HG LEU 64 HG LEU 64 8.726 1.960 5.891 505 HD11 LEU 64 HD11 LEU 64 6.731 0.599 6.295 506 HD12 LEU 64 HD12 LEU 64 7.437 -0.763 5.405 507 HD13 LEU 64 HD13 LEU 64 7.067 0.741 4.545 508 HD21 LEU 64 HD21 LEU 64 9.403 -0.806 6.950 509 HD22 LEU 64 HD22 LEU 64 8.706 0.547 7.870 510 HD23 LEU 64 HD23 LEU 64 10.349 0.679 7.227 511 H GLN 65 H GLN 65 12.223 2.022 4.211 512 HA GLN 65 HA GLN 65 11.704 4.335 5.960 513 HB2 GLN 65 HB2 GLN 65 13.942 4.011 6.774 514 HB3 GLN 65 HB3 GLN 65 13.019 2.518 6.892 515 HG2 GLN 65 HG2 GLN 65 14.282 1.433 5.285 516 HG3 GLN 65 HG3 GLN 65 14.764 2.904 4.434 517 HE21 GLN 65 HE21 GLN 65 15.276 1.258 7.621 518 HE22 GLN 65 HE22 GLN 65 16.932 1.772 7.779 519 H ILE 66 H ILE 66 12.911 3.707 2.759 520 HA ILE 66 HA ILE 66 14.451 6.165 2.552 521 HB ILE 66 HB ILE 66 13.215 4.460 0.370 522 HG12 ILE 66 HG12 ILE 66 16.109 4.568 1.312 523 HG13 ILE 66 HG13 ILE 66 15.003 3.329 1.840 524 HG21 ILE 66 HG21 ILE 66 13.638 6.818 -0.341 525 HG22 ILE 66 HG22 ILE 66 15.328 6.662 0.177 526 HG23 ILE 66 HG23 ILE 66 14.698 5.690 -1.169 527 HD11 ILE 66 HD11 ILE 66 14.663 2.659 -0.587 528 HD12 ILE 66 HD12 ILE 66 15.919 3.825 -1.033 529 HD13 ILE 66 HD13 ILE 66 16.330 2.459 0.006 530 H LEU 67 H LEU 67 11.109 5.148 1.510 531 HA LEU 67 HA LEU 67 10.476 7.737 0.619 532 HB2 LEU 67 HB2 LEU 67 8.334 5.925 1.738 533 HB3 LEU 67 HB3 LEU 67 8.221 7.144 0.485 534 HG LEU 67 HG LEU 67 9.194 4.311 0.353 535 HD11 LEU 67 HD11 LEU 67 6.885 4.907 -0.172 536 HD12 LEU 67 HD12 LEU 67 7.746 4.191 -1.546 537 HD13 LEU 67 HD13 LEU 67 7.465 5.949 -1.492 538 HD21 LEU 67 HD21 LEU 67 11.095 5.353 -0.734 539 HD22 LEU 67 HD22 LEU 67 10.024 6.441 -1.654 540 HD23 LEU 67 HD23 LEU 67 10.041 4.689 -1.969 541 H GLN 68 H GLN 68 9.800 6.255 3.834 542 HA GLN 68 HA GLN 68 8.506 8.543 4.906 543 HB2 GLN 68 HB2 GLN 68 9.685 5.989 5.940 544 HB3 GLN 68 HB3 GLN 68 9.530 7.277 7.112 545 HG2 GLN 68 HG2 GLN 68 7.563 5.693 6.968 546 HG3 GLN 68 HG3 GLN 68 7.240 7.422 6.953 547 HE21 GLN 68 HE21 GLN 68 8.010 5.051 4.221 548 HE22 GLN 68 HE22 GLN 68 6.616 5.639 3.312 549 H ALA 69 H ALA 69 11.876 8.284 4.160 550 HA ALA 69 HA ALA 69 12.774 10.146 6.242 551 HB1 ALA 69 HB1 ALA 69 14.325 8.455 5.210 552 HB2 ALA 69 HB2 ALA 69 14.130 9.279 3.644 553 HB3 ALA 69 HB3 ALA 69 14.872 10.125 4.994 554 H LEU 70 H LEU 70 10.930 10.371 3.377 555 HA LEU 70 HA LEU 70 11.891 13.095 2.716 556 HB2 LEU 70 HB2 LEU 70 10.598 11.097 0.839 557 HB3 LEU 70 HB3 LEU 70 11.472 12.558 0.402 558 HG LEU 70 HG LEU 70 12.649 10.003 1.534 559 HD11 LEU 70 HD11 LEU 70 11.918 9.768 -0.790 560 HD12 LEU 70 HD12 LEU 70 13.678 9.685 -0.637 561 HD13 LEU 70 HD13 LEU 70 12.916 11.171 -1.249 562 HD21 LEU 70 HD21 LEU 70 14.846 10.870 1.179 563 HD22 LEU 70 HD22 LEU 70 13.986 11.939 2.265 564 HD23 LEU 70 HD23 LEU 70 14.217 12.397 0.543 565 H HIS 71 H HIS 71 10.021 14.042 1.133 566 HA HIS 71 HA HIS 71 7.856 14.878 2.662 567 HB2 HIS 71 HB2 HIS 71 8.458 14.707 -0.293 568 HB3 HIS 71 HB3 HIS 71 6.804 15.036 0.164 569 HD1 HIS 71 HD1 HIS 71 8.343 16.984 2.759 570 HD2 HIS 71 HD2 HIS 71 7.946 17.221 -1.442 571 HE1 HIS 71 HE1 HIS 71 8.574 19.423 2.159 572 HA PRO 72 HA PRO 72 5.483 11.544 3.392 573 HB2 PRO 72 HB2 PRO 72 2.848 12.429 3.527 574 HB3 PRO 72 HB3 PRO 72 4.123 12.828 4.719 575 HG2 PRO 72 HG2 PRO 72 3.197 14.475 2.347 576 HG3 PRO 72 HG3 PRO 72 3.473 15.016 4.035 577 HD2 PRO 72 HD2 PRO 72 5.344 15.391 2.110 578 HD3 PRO 72 HD3 PRO 72 5.822 14.932 3.770 579 HA PRO 73 HA PRO 73 4.772 9.380 -0.001 580 HB2 PRO 73 HB2 PRO 73 2.928 7.366 0.600 581 HB3 PRO 73 HB3 PRO 73 4.619 7.442 1.177 582 HG2 PRO 73 HG2 PRO 73 2.110 8.353 2.608 583 HG3 PRO 73 HG3 PRO 73 3.473 7.385 3.259 584 HD2 PRO 73 HD2 PRO 73 3.322 10.035 3.717 585 HD3 PRO 73 HD3 PRO 73 4.896 9.288 3.323 586 H LEU 74 H LEU 74 1.314 9.739 1.184 587 HA LEU 74 HA LEU 74 0.496 11.155 -1.114 588 HB2 LEU 74 HB2 LEU 74 0.437 8.279 -1.158 589 HB3 LEU 74 HB3 LEU 74 -1.179 8.759 -0.705 590 HG LEU 74 HG LEU 74 0.353 9.505 -3.195 591 HD11 LEU 74 HD11 LEU 74 -1.624 8.376 -4.263 592 HD12 LEU 74 HD12 LEU 74 -2.215 7.949 -2.637 593 HD13 LEU 74 HD13 LEU 74 -0.669 7.305 -3.232 594 HD21 LEU 74 HD21 LEU 74 -0.810 11.514 -2.710 595 HD22 LEU 74 HD22 LEU 74 -2.275 10.623 -2.157 596 HD23 LEU 74 HD23 LEU 74 -1.792 10.652 -3.867 597 H THR 75 H THR 75 -1.714 12.044 -0.561 598 HA THR 75 HA THR 75 -2.933 10.992 1.879 599 HB THR 75 HB THR 75 -3.385 13.773 2.108 600 HG1 THR 75 HG1 THR 75 -0.672 13.190 1.520 601 HG21 THR 75 HG21 THR 75 -2.246 13.612 4.208 602 HG22 THR 75 HG22 THR 75 -1.386 12.163 3.730 603 HG23 THR 75 HG23 THR 75 -3.155 12.106 3.959 604 H ILE 76 H ILE 76 -4.426 9.953 0.656 605 HA ILE 76 HA ILE 76 -6.157 11.674 -1.031 606 HB ILE 76 HB ILE 76 -6.209 8.660 -0.651 607 HG12 ILE 76 HG12 ILE 76 -5.058 10.438 -2.885 608 HG13 ILE 76 HG13 ILE 76 -4.150 9.396 -1.778 609 HG21 ILE 76 HG21 ILE 76 -7.663 10.486 -2.634 610 HG22 ILE 76 HG22 ILE 76 -7.766 8.729 -2.599 611 HG23 ILE 76 HG23 ILE 76 -8.426 9.655 -1.263 612 HD11 ILE 76 HD11 ILE 76 -5.980 8.490 -3.994 613 HD12 ILE 76 HD12 ILE 76 -4.242 8.224 -3.793 614 HD13 ILE 76 HD13 ILE 76 -5.394 7.440 -2.676 615 H ASP 77 H ASP 77 -8.078 12.355 -0.257 616 HA ASP 77 HA ASP 77 -9.782 12.802 1.200 617 HB2 ASP 77 HB2 ASP 77 -9.642 9.782 1.227 618 HB3 ASP 77 HB3 ASP 77 -10.869 10.649 2.144 619 H GLY 78 H GLY 78 -7.175 13.234 2.345 620 HA2 GLY 78 HA2 GLY 78 -6.306 13.843 4.320 621 HA3 GLY 78 HA3 GLY 78 -7.904 13.638 5.058 622 H LYS 79 H LYS 79 -6.658 10.776 3.510 623 HA LYS 79 HA LYS 79 -5.718 9.660 6.118 624 HB2 LYS 79 HB2 LYS 79 -6.567 8.178 3.600 625 HB3 LYS 79 HB3 LYS 79 -6.217 7.547 5.180 626 HG2 LYS 79 HG2 LYS 79 -8.712 8.914 4.207 627 HG3 LYS 79 HG3 LYS 79 -8.500 7.359 4.929 628 HD2 LYS 79 HD2 LYS 79 -8.166 8.255 7.141 629 HD3 LYS 79 HD3 LYS 79 -8.112 9.913 6.546 630 HE2 LYS 79 HE2 LYS 79 -10.568 8.219 6.078 631 HE3 LYS 79 HE3 LYS 79 -10.325 9.033 7.624 632 HZ1 LYS 79 HZ1 LYS 79 -10.367 11.118 6.597 633 HZ2 LYS 79 HZ2 LYS 79 -11.589 10.336 5.838 634 HZ3 LYS 79 HZ3 LYS 79 -10.168 10.549 5.089 635 H THR 80 H THR 80 -3.387 9.706 6.161 636 HA THR 80 HA THR 80 -2.088 10.015 3.522 637 HB THR 80 HB THR 80 -1.242 11.228 5.627 638 HG1 THR 80 HG1 THR 80 0.726 11.153 4.856 639 HG21 THR 80 HG21 THR 80 -1.458 9.171 7.038 640 HG22 THR 80 HG22 THR 80 -0.010 8.548 6.185 641 HG23 THR 80 HG23 THR 80 0.100 10.073 7.148 642 H ILE 81 H ILE 81 -0.963 8.341 2.571 643 HA ILE 81 HA ILE 81 -2.163 5.689 3.189 644 HB ILE 81 HB ILE 81 -0.406 6.471 0.820 645 HG12 ILE 81 HG12 ILE 81 -2.454 7.734 0.637 646 HG13 ILE 81 HG13 ILE 81 -2.491 6.415 -0.528 647 HG21 ILE 81 HG21 ILE 81 -1.387 4.318 -0.105 648 HG22 ILE 81 HG22 ILE 81 -0.272 4.116 1.255 649 HG23 ILE 81 HG23 ILE 81 -2.008 3.991 1.548 650 HD11 ILE 81 HD11 ILE 81 -3.964 5.168 1.203 651 HD12 ILE 81 HD12 ILE 81 -4.015 6.683 2.114 652 HD13 ILE 81 HD13 ILE 81 -4.679 6.612 0.465 653 H ASN 82 H ASN 82 -1.165 4.691 4.919 654 HA ASN 82 HA ASN 82 1.591 5.472 5.509 655 HB2 ASN 82 HB2 ASN 82 -0.745 4.542 6.995 656 HB3 ASN 82 HB3 ASN 82 0.612 3.491 7.347 657 HD21 ASN 82 HD21 ASN 82 -0.727 5.355 9.186 658 HD22 ASN 82 HD22 ASN 82 0.633 6.351 9.661 659 H VAL 83 H VAL 83 3.188 3.884 5.954 660 HA VAL 83 HA VAL 83 2.807 1.389 4.363 661 HB VAL 83 HB VAL 83 5.196 1.437 3.989 662 HG11 VAL 83 HG11 VAL 83 5.190 3.249 2.358 663 HG12 VAL 83 HG12 VAL 83 3.654 2.366 2.343 664 HG13 VAL 83 HG13 VAL 83 3.764 3.963 3.106 665 HG21 VAL 83 HG21 VAL 83 5.233 4.238 5.143 666 HG22 VAL 83 HG22 VAL 83 5.958 2.846 5.956 667 HG23 VAL 83 HG23 VAL 83 6.574 3.314 4.394 668 H GLU 84 H GLU 84 1.944 0.137 5.846 669 HA GLU 84 HA GLU 84 3.514 -0.448 8.336 670 HB2 GLU 84 HB2 GLU 84 0.785 -1.219 7.226 671 HB3 GLU 84 HB3 GLU 84 1.484 -2.121 8.572 672 HG2 GLU 84 HG2 GLU 84 1.146 0.927 8.590 673 HG3 GLU 84 HG3 GLU 84 -0.101 -0.170 9.141 674 H PHE 85 H PHE 85 4.737 -2.380 8.592 675 HA PHE 85 HA PHE 85 5.392 -3.790 6.196 676 HB2 PHE 85 HB2 PHE 85 6.391 -3.645 8.840 677 HB3 PHE 85 HB3 PHE 85 5.950 -5.322 8.639 678 HD1 PHE 85 HD1 PHE 85 8.719 -3.934 9.018 679 HD2 PHE 85 HD2 PHE 85 6.681 -5.499 5.520 680 HE1 PHE 85 HE1 PHE 85 10.893 -4.435 7.942 681 HE2 PHE 85 HE2 PHE 85 8.825 -5.991 4.495 682 HZ PHE 85 HZ PHE 85 10.958 -5.475 5.688 683 H ALA 86 H ALA 86 4.610 -5.726 5.326 684 HA ALA 86 HA ALA 86 2.232 -6.968 6.518 685 HB1 ALA 86 HB1 ALA 86 2.025 -8.011 4.316 686 HB2 ALA 86 HB2 ALA 86 2.316 -6.279 4.061 687 HB3 ALA 86 HB3 ALA 86 3.631 -7.423 3.855 688 H LYS 87 H LYS 87 3.721 -7.880 8.394 689 HA LYS 87 HA LYS 87 4.993 -9.480 9.263 690 HB2 LYS 87 HB2 LYS 87 3.820 -11.506 9.192 691 HB3 LYS 87 HB3 LYS 87 2.723 -10.186 9.351 692 HG2 LYS 87 HG2 LYS 87 3.169 -11.368 6.605 693 HG3 LYS 87 HG3 LYS 87 2.197 -12.256 7.767 694 HD2 LYS 87 HD2 LYS 87 1.544 -9.362 7.175 695 HD3 LYS 87 HD3 LYS 87 0.993 -10.658 6.113 696 HE2 LYS 87 HE2 LYS 87 -0.278 -11.697 7.796 697 HE3 LYS 87 HE3 LYS 87 0.537 -10.823 9.101 698 HZ1 LYS 87 HZ1 LYS 87 -1.194 -9.516 7.111 699 HZ2 LYS 87 HZ2 LYS 87 -0.517 -8.833 8.465 700 HZ3 LYS 87 HZ3 LYS 87 -1.703 -9.996 8.578 701 H GLY 88 H GLY 88 5.282 -12.256 8.010 702 HA2 GLY 88 HA2 GLY 88 6.431 -13.034 6.112 703 HA3 GLY 88 HA3 GLY 88 7.447 -11.596 6.056 704 H SER 89 H SER 89 7.416 -12.255 9.214 705 HA SER 89 HA SER 89 9.137 -14.636 9.194 706 HB2 SER 89 HB2 SER 89 9.774 -12.095 10.505 707 HB3 SER 89 HB3 SER 89 9.410 -13.329 11.718 708 HG SER 89 HG SER 89 11.620 -13.353 11.111 Start of MODEL 18 1 H1 GLY 1 H GLY 1 7.616 -14.457 7.781 2 HA2 GLY 1 HA2 GLY 1 6.929 -12.158 8.219 3 HA3 GLY 1 HA3 GLY 1 8.684 -12.236 7.959 4 H HIS 2 H HIS 2 9.387 -10.632 6.728 5 HA HIS 2 HA HIS 2 7.671 -9.071 4.940 6 HB2 HIS 2 HB2 HIS 2 10.599 -8.810 5.731 7 HB3 HIS 2 HB3 HIS 2 9.570 -7.586 4.974 8 HD1 HIS 2 HD1 HIS 2 6.971 -7.930 6.821 9 HD2 HIS 2 HD2 HIS 2 10.963 -7.922 8.216 10 HE1 HIS 2 HE1 HIS 2 6.848 -7.574 9.276 11 H MET 3 H MET 3 7.320 -11.123 3.776 12 HA MET 3 HA MET 3 9.335 -11.675 1.704 13 HB2 MET 3 HB2 MET 3 6.484 -12.731 1.933 14 HB3 MET 3 HB3 MET 3 7.739 -13.233 0.789 15 HG2 MET 3 HG2 MET 3 9.142 -13.710 2.970 16 HG3 MET 3 HG3 MET 3 7.578 -13.670 3.774 17 HE1 MET 3 HE1 MET 3 10.149 -15.469 1.741 18 HE2 MET 3 HE2 MET 3 9.336 -16.824 0.948 19 HE3 MET 3 HE3 MET 3 9.061 -15.167 0.371 20 H ASP 4 H ASP 4 9.561 -9.584 0.975 21 HA ASP 4 HA ASP 4 9.312 -8.032 -0.728 22 HB2 ASP 4 HB2 ASP 4 8.084 -10.546 -1.903 23 HB3 ASP 4 HB3 ASP 4 9.060 -9.318 -2.712 24 H THR 5 H THR 5 7.107 -7.666 1.104 25 HA THR 5 HA THR 5 5.171 -6.537 -0.779 26 HB THR 5 HB THR 5 4.319 -8.514 1.387 27 HG1 THR 5 HG1 THR 5 5.116 -9.570 -0.433 28 HG21 THR 5 HG21 THR 5 2.512 -7.284 -0.720 29 HG22 THR 5 HG22 THR 5 2.632 -6.641 0.923 30 HG23 THR 5 HG23 THR 5 2.064 -8.287 0.660 31 H ILE 6 H ILE 6 4.181 -4.727 0.121 32 HA ILE 6 HA ILE 6 4.871 -3.893 2.892 33 HB ILE 6 HB ILE 6 4.704 -2.247 0.354 34 HG12 ILE 6 HG12 ILE 6 6.838 -3.678 0.674 35 HG13 ILE 6 HG13 ILE 6 7.006 -1.974 0.326 36 HG21 ILE 6 HG21 ILE 6 3.961 -0.850 2.210 37 HG22 ILE 6 HG22 ILE 6 5.396 -1.326 3.159 38 HG23 ILE 6 HG23 ILE 6 5.574 -0.353 1.683 39 HD11 ILE 6 HD11 ILE 6 7.121 -2.975 3.168 40 HD12 ILE 6 HD12 ILE 6 8.544 -2.958 2.114 41 HD13 ILE 6 HD13 ILE 6 7.727 -1.448 2.505 42 H ILE 7 H ILE 7 3.259 -2.485 3.848 43 HA ILE 7 HA ILE 7 0.497 -2.855 2.908 44 HB ILE 7 HB ILE 7 1.492 -2.457 5.740 45 HG12 ILE 7 HG12 ILE 7 0.355 -4.876 4.311 46 HG13 ILE 7 HG13 ILE 7 1.920 -4.647 5.049 47 HG21 ILE 7 HG21 ILE 7 -1.356 -2.649 4.694 48 HG22 ILE 7 HG22 ILE 7 -0.889 -2.663 6.426 49 HG23 ILE 7 HG23 ILE 7 -0.571 -1.243 5.475 50 HD11 ILE 7 HD11 ILE 7 0.598 -6.060 6.505 51 HD12 ILE 7 HD12 ILE 7 0.829 -4.492 7.309 52 HD13 ILE 7 HD13 ILE 7 -0.721 -4.896 6.533 53 H LEU 8 H LEU 8 -0.362 -1.115 2.157 54 HA LEU 8 HA LEU 8 0.402 1.645 3.064 55 HB2 LEU 8 HB2 LEU 8 -1.628 0.759 0.989 56 HB3 LEU 8 HB3 LEU 8 -1.255 2.390 1.480 57 HG LEU 8 HG LEU 8 -0.094 2.245 -0.484 58 HD11 LEU 8 HD11 LEU 8 2.274 2.146 -0.080 59 HD12 LEU 8 HD12 LEU 8 2.073 1.183 1.388 60 HD13 LEU 8 HD13 LEU 8 1.486 2.859 1.354 61 HD21 LEU 8 HD21 LEU 8 0.821 -0.584 0.185 62 HD22 LEU 8 HD22 LEU 8 1.128 0.346 -1.295 63 HD23 LEU 8 HD23 LEU 8 -0.528 -0.132 -0.891 64 H ARG 9 H ARG 9 -0.260 1.760 5.050 65 HA ARG 9 HA ARG 9 -2.785 0.531 5.945 66 HB2 ARG 9 HB2 ARG 9 -0.456 1.535 7.287 67 HB3 ARG 9 HB3 ARG 9 -1.764 2.679 7.653 68 HG2 ARG 9 HG2 ARG 9 -3.194 0.599 8.171 69 HG3 ARG 9 HG3 ARG 9 -1.642 -0.270 8.217 70 HD2 ARG 9 HD2 ARG 9 -0.982 0.827 10.196 71 HD3 ARG 9 HD3 ARG 9 -1.853 2.318 9.764 72 HE ARG 9 HE ARG 9 -3.373 -0.137 10.503 73 HH11 ARG 9 HH11 ARG 9 -2.180 2.890 11.757 74 HH12 ARG 9 HH12 ARG 9 -3.653 3.421 12.478 75 HH21 ARG 9 HH21 ARG 9 -5.493 0.531 11.422 76 HH22 ARG 9 HH22 ARG 9 -5.521 1.976 12.353 77 H ASN 10 H ASN 10 -4.141 2.561 7.275 78 HA ASN 10 HA ASN 10 -5.389 4.370 7.131 79 HB2 ASN 10 HB2 ASN 10 -2.982 5.325 5.590 80 HB3 ASN 10 HB3 ASN 10 -4.331 6.361 5.959 81 HD21 ASN 10 HD21 ASN 10 -2.968 7.580 7.145 82 HD22 ASN 10 HD22 ASN 10 -2.095 6.994 8.479 83 H LEU 11 H LEU 11 -5.121 2.598 4.374 84 HA LEU 11 HA LEU 11 -5.968 4.057 2.245 85 HB2 LEU 11 HB2 LEU 11 -5.712 1.267 2.999 86 HB3 LEU 11 HB3 LEU 11 -7.219 1.449 2.142 87 HG LEU 11 HG LEU 11 -5.312 0.874 0.722 88 HD11 LEU 11 HD11 LEU 11 -6.381 3.598 -0.012 89 HD12 LEU 11 HD12 LEU 11 -7.299 2.089 -0.172 90 HD13 LEU 11 HD13 LEU 11 -5.807 2.289 -1.095 91 HD21 LEU 11 HD21 LEU 11 -3.601 2.241 1.975 92 HD22 LEU 11 HD22 LEU 11 -4.189 3.624 1.034 93 HD23 LEU 11 HD23 LEU 11 -3.502 2.232 0.201 94 H ASN 12 H ASN 12 -7.578 5.419 2.116 95 HA ASN 12 HA ASN 12 -9.897 5.441 3.681 96 HB2 ASN 12 HB2 ASN 12 -8.839 7.382 2.517 97 HB3 ASN 12 HB3 ASN 12 -9.199 6.683 0.993 98 HD21 ASN 12 HD21 ASN 12 -11.060 7.470 0.111 99 HD22 ASN 12 HD22 ASN 12 -12.248 8.357 1.034 100 HA PRO 13 HA PRO 13 -12.372 2.436 1.500 101 HB2 PRO 13 HB2 PRO 13 -14.942 3.309 2.133 102 HB3 PRO 13 HB3 PRO 13 -13.853 2.431 3.256 103 HG2 PRO 13 HG2 PRO 13 -14.246 5.432 2.980 104 HG3 PRO 13 HG3 PRO 13 -14.274 4.464 4.470 105 HD2 PRO 13 HD2 PRO 13 -12.075 5.761 3.798 106 HD3 PRO 13 HD3 PRO 13 -11.873 4.084 4.324 107 H HIS 14 H HIS 14 -12.705 5.817 0.635 108 HA HIS 14 HA HIS 14 -14.386 5.065 -1.712 109 HB2 HIS 14 HB2 HIS 14 -14.289 7.444 0.134 110 HB3 HIS 14 HB3 HIS 14 -14.791 7.686 -1.535 111 HD1 HIS 14 HD1 HIS 14 -17.017 6.544 -2.379 112 HD2 HIS 14 HD2 HIS 14 -15.984 5.814 1.652 113 HE1 HIS 14 HE1 HIS 14 -19.039 5.489 -1.302 114 H SER 15 H SER 15 -11.261 5.161 -1.367 115 HA SER 15 HA SER 15 -10.693 7.307 -3.337 116 HB2 SER 15 HB2 SER 15 -9.020 5.724 -1.372 117 HB3 SER 15 HB3 SER 15 -8.333 6.836 -2.562 118 HG SER 15 HG SER 15 -9.601 8.491 -1.716 119 H THR 16 H THR 16 -9.417 7.007 -5.127 120 HA THR 16 HA THR 16 -9.842 4.661 -6.671 121 HB THR 16 HB THR 16 -10.121 6.521 -7.930 122 HG1 THR 16 HG1 THR 16 -7.522 6.949 -8.495 123 HG21 THR 16 HG21 THR 16 -9.725 8.279 -6.399 124 HG22 THR 16 HG22 THR 16 -8.736 8.611 -7.812 125 HG23 THR 16 HG23 THR 16 -7.978 7.935 -6.339 126 H MET 17 H MET 17 -8.604 2.987 -6.233 127 HA MET 17 HA MET 17 -6.131 3.145 -4.726 128 HB2 MET 17 HB2 MET 17 -5.939 0.770 -5.015 129 HB3 MET 17 HB3 MET 17 -7.598 1.178 -4.581 130 HG2 MET 17 HG2 MET 17 -8.187 1.050 -7.025 131 HG3 MET 17 HG3 MET 17 -6.544 0.489 -7.347 132 HE1 MET 17 HE1 MET 17 -9.769 -0.692 -7.709 133 HE2 MET 17 HE2 MET 17 -8.361 -1.236 -8.643 134 HE3 MET 17 HE3 MET 17 -9.351 -2.417 -7.755 135 H ASP 18 H ASP 18 -6.953 3.341 -8.122 136 HA ASP 18 HA ASP 18 -4.396 2.859 -9.286 137 HB2 ASP 18 HB2 ASP 18 -6.523 3.228 -10.591 138 HB3 ASP 18 HB3 ASP 18 -6.485 4.930 -10.122 139 H SER 19 H SER 19 -5.827 5.755 -7.676 140 HA SER 19 HA SER 19 -3.536 7.414 -8.426 141 HB2 SER 19 HB2 SER 19 -5.791 7.872 -6.431 142 HB3 SER 19 HB3 SER 19 -4.711 9.084 -7.111 143 HG SER 19 HG SER 19 -5.508 8.151 -9.237 144 H ILE 20 H ILE 20 -4.578 5.445 -5.730 145 HA ILE 20 HA ILE 20 -2.529 6.343 -3.868 146 HB ILE 20 HB ILE 20 -4.282 3.874 -3.834 147 HG12 ILE 20 HG12 ILE 20 -4.847 6.349 -2.171 148 HG13 ILE 20 HG13 ILE 20 -5.423 6.308 -3.821 149 HG21 ILE 20 HG21 ILE 20 -3.955 3.996 -1.339 150 HG22 ILE 20 HG22 ILE 20 -2.488 3.591 -2.228 151 HG23 ILE 20 HG23 ILE 20 -2.717 5.241 -1.606 152 HD11 ILE 20 HD11 ILE 20 -7.176 5.075 -3.270 153 HD12 ILE 20 HD12 ILE 20 -6.172 3.824 -2.569 154 HD13 ILE 20 HD13 ILE 20 -6.681 5.212 -1.569 155 H LEU 21 H LEU 21 -2.767 3.668 -6.290 156 HA LEU 21 HA LEU 21 -0.365 2.379 -5.801 157 HB2 LEU 21 HB2 LEU 21 -2.185 2.851 -8.137 158 HB3 LEU 21 HB3 LEU 21 -0.518 2.519 -8.550 159 HG LEU 21 HG LEU 21 -2.344 0.690 -6.956 160 HD11 LEU 21 HD11 LEU 21 -1.869 -0.719 -9.105 161 HD12 LEU 21 HD12 LEU 21 -1.273 0.766 -9.802 162 HD13 LEU 21 HD13 LEU 21 -2.966 0.666 -9.238 163 HD21 LEU 21 HD21 LEU 21 -0.201 0.323 -6.082 164 HD22 LEU 21 HD22 LEU 21 0.601 0.584 -7.649 165 HD23 LEU 21 HD23 LEU 21 -0.323 -0.903 -7.356 166 H GLY 22 H GLY 22 -0.871 4.941 -8.227 167 HA2 GLY 22 HA2 GLY 22 1.814 5.322 -8.798 168 HA3 GLY 22 HA3 GLY 22 0.573 6.566 -9.040 169 H ALA 23 H ALA 23 -0.168 7.061 -6.375 170 HA ALA 23 HA ALA 23 1.663 9.004 -5.596 171 HB1 ALA 23 HB1 ALA 23 0.402 9.053 -3.485 172 HB2 ALA 23 HB2 ALA 23 -0.660 8.990 -4.883 173 HB3 ALA 23 HB3 ALA 23 -0.389 7.526 -3.900 174 H LEU 24 H LEU 24 1.497 5.578 -4.512 175 HA LEU 24 HA LEU 24 3.819 6.109 -2.729 176 HB2 LEU 24 HB2 LEU 24 1.275 5.203 -2.062 177 HB3 LEU 24 HB3 LEU 24 2.157 3.702 -2.227 178 HG LEU 24 HG LEU 24 2.129 4.494 0.057 179 HD11 LEU 24 HD11 LEU 24 4.185 3.303 -0.610 180 HD12 LEU 24 HD12 LEU 24 4.536 4.522 0.639 181 HD13 LEU 24 HD13 LEU 24 4.922 4.862 -1.048 182 HD21 LEU 24 HD21 LEU 24 3.165 6.528 0.854 183 HD22 LEU 24 HD22 LEU 24 1.871 6.874 -0.292 184 HD23 LEU 24 HD23 LEU 24 3.592 6.998 -0.783 185 H ALA 25 H ALA 25 3.559 5.208 -5.709 186 HA ALA 25 HA ALA 25 5.401 2.866 -5.492 187 HB1 ALA 25 HB1 ALA 25 3.300 2.251 -6.573 188 HB2 ALA 25 HB2 ALA 25 3.486 3.581 -7.737 189 HB3 ALA 25 HB3 ALA 25 4.643 2.239 -7.725 190 HA PRO 26 HA PRO 26 7.933 6.159 -7.490 191 HB2 PRO 26 HB2 PRO 26 10.027 6.071 -5.698 192 HB3 PRO 26 HB3 PRO 26 8.669 7.243 -5.623 193 HG2 PRO 26 HG2 PRO 26 9.070 4.698 -4.061 194 HG3 PRO 26 HG3 PRO 26 8.418 6.275 -3.503 195 HD2 PRO 26 HD2 PRO 26 6.853 4.083 -4.172 196 HD3 PRO 26 HD3 PRO 26 6.325 5.778 -4.328 197 H TYR 27 H TYR 27 8.429 2.957 -6.072 198 HA TYR 27 HA TYR 27 10.320 2.270 -8.295 199 HB2 TYR 27 HB2 TYR 27 10.373 1.351 -5.396 200 HB3 TYR 27 HB3 TYR 27 11.435 0.804 -6.662 201 HD1 TYR 27 HD1 TYR 27 10.790 3.463 -4.275 202 HD2 TYR 27 HD2 TYR 27 13.172 2.239 -7.628 203 HE1 TYR 27 HE1 TYR 27 12.495 5.082 -3.607 204 HE2 TYR 27 HE2 TYR 27 14.947 3.822 -6.957 205 HH TYR 27 HH TYR 27 14.951 6.181 -5.205 206 H ALA 28 H ALA 28 7.517 1.171 -6.471 207 HA ALA 28 HA ALA 28 7.718 -1.650 -7.312 208 HB1 ALA 28 HB1 ALA 28 5.412 -0.049 -6.132 209 HB2 ALA 28 HB2 ALA 28 5.446 -1.815 -6.386 210 HB3 ALA 28 HB3 ALA 28 6.551 -1.075 -5.223 211 H VAL 29 H VAL 29 7.088 -2.500 -9.185 212 HA VAL 29 HA VAL 29 5.530 -0.743 -11.053 213 HB VAL 29 HB VAL 29 7.743 -2.661 -11.830 214 HG11 VAL 29 HG11 VAL 29 6.150 -0.584 -13.389 215 HG12 VAL 29 HG12 VAL 29 7.571 -1.452 -14.022 216 HG13 VAL 29 HG13 VAL 29 6.097 -2.337 -13.609 217 HG21 VAL 29 HG21 VAL 29 8.847 -0.876 -10.688 218 HG22 VAL 29 HG22 VAL 29 9.034 -0.569 -12.407 219 HG23 VAL 29 HG23 VAL 29 7.831 0.354 -11.467 220 H LEU 30 H LEU 30 3.769 -1.758 -9.962 221 HA LEU 30 HA LEU 30 3.202 -4.552 -10.889 222 HB2 LEU 30 HB2 LEU 30 1.484 -3.076 -8.900 223 HB3 LEU 30 HB3 LEU 30 1.632 -4.799 -9.156 224 HG LEU 30 HG LEU 30 3.721 -2.997 -7.850 225 HD11 LEU 30 HD11 LEU 30 1.661 -3.717 -6.521 226 HD12 LEU 30 HD12 LEU 30 3.250 -4.215 -5.866 227 HD13 LEU 30 HD13 LEU 30 2.264 -5.391 -6.690 228 HD21 LEU 30 HD21 LEU 30 4.768 -4.907 -9.233 229 HD22 LEU 30 HD22 LEU 30 3.869 -6.021 -8.184 230 HD23 LEU 30 HD23 LEU 30 5.093 -4.922 -7.505 231 H SER 31 H SER 31 0.700 -4.860 -11.005 232 HA SER 31 HA SER 31 -0.766 -2.530 -11.987 233 HB2 SER 31 HB2 SER 31 0.023 -3.913 -13.959 234 HB3 SER 31 HB3 SER 31 -0.943 -5.260 -13.320 235 HG SER 31 HG SER 31 -1.731 -2.785 -14.414 236 H SER 32 H SER 32 -3.070 -3.316 -12.109 237 HA SER 32 HA SER 32 -4.284 -3.315 -9.757 238 HB2 SER 32 HB2 SER 32 -5.084 -3.471 -12.404 239 HB3 SER 32 HB3 SER 32 -5.736 -4.982 -11.758 240 HG SER 32 HG SER 32 -6.797 -3.659 -10.130 241 H SER 33 H SER 33 -3.267 -6.375 -11.311 242 HA SER 33 HA SER 33 -4.893 -8.121 -9.750 243 HB2 SER 33 HB2 SER 33 -2.205 -8.745 -11.005 244 HB3 SER 33 HB3 SER 33 -3.505 -9.890 -10.604 245 HG SER 33 HG SER 33 -4.830 -8.926 -12.079 246 H ASN 34 H ASN 34 -1.916 -6.470 -8.993 247 HA ASN 34 HA ASN 34 -1.439 -8.190 -6.623 248 HB2 ASN 34 HB2 ASN 34 0.065 -5.958 -7.956 249 HB3 ASN 34 HB3 ASN 34 0.299 -6.224 -6.229 250 HD21 ASN 34 HD21 ASN 34 1.719 -7.086 -9.143 251 HD22 ASN 34 HD22 ASN 34 2.503 -8.502 -8.522 252 H VAL 35 H VAL 35 -2.777 -4.984 -7.429 253 HA VAL 35 HA VAL 35 -2.785 -3.920 -4.829 254 HB VAL 35 HB VAL 35 -4.783 -3.314 -7.039 255 HG11 VAL 35 HG11 VAL 35 -5.332 -2.248 -4.852 256 HG12 VAL 35 HG12 VAL 35 -3.697 -1.548 -4.795 257 HG13 VAL 35 HG13 VAL 35 -4.831 -1.064 -6.055 258 HG21 VAL 35 HG21 VAL 35 -2.532 -3.138 -7.988 259 HG22 VAL 35 HG22 VAL 35 -3.274 -1.561 -7.736 260 HG23 VAL 35 HG23 VAL 35 -2.026 -2.150 -6.602 261 H ARG 36 H ARG 36 -3.730 -4.893 -3.068 262 HA ARG 36 HA ARG 36 -6.513 -5.944 -3.409 263 HB2 ARG 36 HB2 ARG 36 -4.650 -7.708 -3.517 264 HB3 ARG 36 HB3 ARG 36 -4.337 -7.353 -1.828 265 HG2 ARG 36 HG2 ARG 36 -5.735 -9.289 -2.015 266 HG3 ARG 36 HG3 ARG 36 -6.706 -7.998 -1.300 267 HD2 ARG 36 HD2 ARG 36 -7.988 -7.692 -3.278 268 HD3 ARG 36 HD3 ARG 36 -6.794 -8.526 -4.291 269 HE ARG 36 HE ARG 36 -8.761 -9.691 -2.422 270 HH11 ARG 36 HH11 ARG 36 -6.323 -10.316 -4.945 271 HH12 ARG 36 HH12 ARG 36 -6.756 -11.961 -5.154 272 HH21 ARG 36 HH21 ARG 36 -9.149 -11.971 -2.498 273 HH22 ARG 36 HH22 ARG 36 -8.372 -12.918 -3.713 274 H VAL 37 H VAL 37 -7.474 -4.140 -2.411 275 HA VAL 37 HA VAL 37 -6.398 -3.377 0.220 276 HB VAL 37 HB VAL 37 -8.855 -2.083 -0.871 277 HG11 VAL 37 HG11 VAL 37 -7.649 -0.107 0.181 278 HG12 VAL 37 HG12 VAL 37 -8.009 -1.428 1.322 279 HG13 VAL 37 HG13 VAL 37 -6.387 -1.207 0.674 280 HG21 VAL 37 HG21 VAL 37 -7.616 -0.342 -2.065 281 HG22 VAL 37 HG22 VAL 37 -6.146 -1.365 -2.035 282 HG23 VAL 37 HG23 VAL 37 -7.599 -1.902 -2.910 283 H ILE 38 H ILE 38 -7.614 -6.016 -0.166 284 HA ILE 38 HA ILE 38 -9.114 -7.480 0.648 285 HB ILE 38 HB ILE 38 -8.943 -5.856 3.187 286 HG12 ILE 38 HG12 ILE 38 -6.683 -5.750 2.382 287 HG13 ILE 38 HG13 ILE 38 -6.795 -6.826 3.748 288 HG21 ILE 38 HG21 ILE 38 -8.717 -8.095 4.262 289 HG22 ILE 38 HG22 ILE 38 -10.251 -7.865 3.452 290 HG23 ILE 38 HG23 ILE 38 -8.993 -8.855 2.678 291 HD11 ILE 38 HD11 ILE 38 -6.636 -8.798 2.295 292 HD12 ILE 38 HD12 ILE 38 -6.659 -7.759 0.855 293 HD13 ILE 38 HD13 ILE 38 -5.296 -7.679 1.967 294 H LYS 39 H LYS 39 -10.429 -5.436 -0.790 295 HA LYS 39 HA LYS 39 -12.335 -4.013 0.601 296 HB2 LYS 39 HB2 LYS 39 -13.450 -3.734 -1.682 297 HB3 LYS 39 HB3 LYS 39 -11.796 -3.188 -1.466 298 HG2 LYS 39 HG2 LYS 39 -10.944 -4.599 -2.978 299 HG3 LYS 39 HG3 LYS 39 -11.942 -5.970 -2.505 300 HD2 LYS 39 HD2 LYS 39 -13.857 -5.090 -3.736 301 HD3 LYS 39 HD3 LYS 39 -12.985 -3.607 -4.147 302 HE2 LYS 39 HE2 LYS 39 -12.114 -6.398 -4.998 303 HE3 LYS 39 HE3 LYS 39 -13.072 -5.305 -5.998 304 HZ1 LYS 39 HZ1 LYS 39 -11.275 -3.724 -5.920 305 HZ2 LYS 39 HZ2 LYS 39 -10.736 -5.161 -6.522 306 HZ3 LYS 39 HZ3 LYS 39 -10.342 -4.732 -5.007 307 H ASP 40 H ASP 40 -14.648 -3.915 0.520 308 HA ASP 40 HA ASP 40 -15.512 -6.333 1.768 309 HB2 ASP 40 HB2 ASP 40 -16.097 -3.912 2.404 310 HB3 ASP 40 HB3 ASP 40 -17.355 -4.044 1.148 311 H LYS 41 H LYS 41 -16.937 -7.892 1.195 312 HA LYS 41 HA LYS 41 -17.687 -8.390 -1.477 313 HB2 LYS 41 HB2 LYS 41 -19.237 -10.013 -0.509 314 HB3 LYS 41 HB3 LYS 41 -17.591 -10.188 0.157 315 HG2 LYS 41 HG2 LYS 41 -18.781 -8.636 2.014 316 HG3 LYS 41 HG3 LYS 41 -20.241 -9.350 1.354 317 HD2 LYS 41 HD2 LYS 41 -17.872 -10.856 2.477 318 HD3 LYS 41 HD3 LYS 41 -19.393 -10.584 3.295 319 HE2 LYS 41 HE2 LYS 41 -20.543 -11.888 1.428 320 HE3 LYS 41 HE3 LYS 41 -18.931 -12.267 0.799 321 HZ1 LYS 41 HZ1 LYS 41 -18.486 -13.317 3.002 322 HZ2 LYS 41 HZ2 LYS 41 -19.660 -14.048 2.108 323 HZ3 LYS 41 HZ3 LYS 41 -20.095 -13.139 3.373 324 H GLN 42 H GLN 42 -19.483 -6.690 0.990 325 HA GLN 42 HA GLN 42 -21.951 -6.741 -0.625 326 HB2 GLN 42 HB2 GLN 42 -21.314 -5.263 1.983 327 HB3 GLN 42 HB3 GLN 42 -22.870 -5.239 1.172 328 HG2 GLN 42 HG2 GLN 42 -21.545 -7.602 2.500 329 HG3 GLN 42 HG3 GLN 42 -23.062 -6.816 2.931 330 HE21 GLN 42 HE21 GLN 42 -24.290 -6.624 0.323 331 HE22 GLN 42 HE22 GLN 42 -24.377 -8.189 -0.438 332 H THR 43 H THR 43 -19.495 -4.323 0.221 333 HA THR 43 HA THR 43 -20.971 -2.398 -1.511 334 HB THR 43 HB THR 43 -21.271 -1.975 0.824 335 HG1 THR 43 HG1 THR 43 -21.236 -0.107 -0.089 336 HG21 THR 43 HG21 THR 43 -18.267 -1.882 1.134 337 HG22 THR 43 HG22 THR 43 -19.411 -3.033 1.885 338 HG23 THR 43 HG23 THR 43 -19.460 -1.324 2.314 339 H GLN 44 H GLN 44 -17.955 -4.000 -1.327 340 HA GLN 44 HA GLN 44 -15.895 -3.655 -2.066 341 HB2 GLN 44 HB2 GLN 44 -17.275 -2.425 -4.466 342 HB3 GLN 44 HB3 GLN 44 -15.608 -2.997 -4.382 343 HG2 GLN 44 HG2 GLN 44 -16.645 -4.791 -5.376 344 HG3 GLN 44 HG3 GLN 44 -16.609 -5.303 -3.685 345 HE21 GLN 44 HE21 GLN 44 -18.638 -5.846 -2.744 346 HE22 GLN 44 HE22 GLN 44 -20.173 -5.473 -3.528 347 H LEU 45 H LEU 45 -16.248 -2.049 -0.158 348 HA LEU 45 HA LEU 45 -14.898 0.488 -0.937 349 HB2 LEU 45 HB2 LEU 45 -16.062 -0.353 1.736 350 HB3 LEU 45 HB3 LEU 45 -15.357 1.211 1.359 351 HG LEU 45 HG LEU 45 -17.860 0.081 0.070 352 HD11 LEU 45 HD11 LEU 45 -17.721 2.280 2.160 353 HD12 LEU 45 HD12 LEU 45 -18.156 0.578 2.489 354 HD13 LEU 45 HD13 LEU 45 -19.169 1.524 1.435 355 HD21 LEU 45 HD21 LEU 45 -18.192 2.345 -0.809 356 HD22 LEU 45 HD22 LEU 45 -16.746 1.569 -1.424 357 HD23 LEU 45 HD23 LEU 45 -16.600 2.824 -0.157 358 H ASN 46 H ASN 46 -12.948 0.870 0.077 359 HA ASN 46 HA ASN 46 -11.262 -1.456 0.309 360 HB2 ASN 46 HB2 ASN 46 -10.690 1.410 1.115 361 HB3 ASN 46 HB3 ASN 46 -9.530 0.178 1.048 362 HD21 ASN 46 HD21 ASN 46 -9.556 2.704 -0.543 363 HD22 ASN 46 HD22 ASN 46 -9.804 2.293 -2.212 364 H ARG 47 H ARG 47 -10.813 -2.687 2.124 365 HA ARG 47 HA ARG 47 -12.231 -2.371 4.537 366 HB2 ARG 47 HB2 ARG 47 -10.210 -4.151 3.382 367 HB3 ARG 47 HB3 ARG 47 -9.899 -3.926 5.080 368 HG2 ARG 47 HG2 ARG 47 -12.571 -4.880 3.941 369 HG3 ARG 47 HG3 ARG 47 -11.253 -5.902 4.500 370 HD2 ARG 47 HD2 ARG 47 -12.596 -5.902 6.286 371 HD3 ARG 47 HD3 ARG 47 -11.361 -4.728 6.728 372 HE ARG 47 HE ARG 47 -14.093 -4.010 5.707 373 HH11 ARG 47 HH11 ARG 47 -11.692 -3.666 8.305 374 HH12 ARG 47 HH12 ARG 47 -12.494 -2.308 9.032 375 HH21 ARG 47 HH21 ARG 47 -15.245 -2.455 6.744 376 HH22 ARG 47 HH22 ARG 47 -14.649 -1.635 8.160 377 H GLY 48 H GLY 48 -9.122 -0.984 3.595 378 HA2 GLY 48 HA2 GLY 48 -8.827 1.063 5.061 379 HA3 GLY 48 HA3 GLY 48 -8.725 -0.033 6.413 380 H PHE 49 H PHE 49 -7.163 -1.896 4.272 381 HA PHE 49 HA PHE 49 -4.620 -0.457 4.221 382 HB2 PHE 49 HB2 PHE 49 -3.643 -2.730 5.154 383 HB3 PHE 49 HB3 PHE 49 -4.131 -1.432 6.219 384 HD1 PHE 49 HD1 PHE 49 -5.210 -4.727 4.841 385 HD2 PHE 49 HD2 PHE 49 -5.938 -1.673 7.805 386 HE1 PHE 49 HE1 PHE 49 -6.750 -6.261 6.064 387 HE2 PHE 49 HE2 PHE 49 -7.501 -3.201 8.986 388 HZ PHE 49 HZ PHE 49 -7.901 -5.493 8.115 389 H ALA 50 H ALA 50 -3.213 -1.298 2.673 390 HA ALA 50 HA ALA 50 -4.426 -3.044 0.587 391 HB1 ALA 50 HB1 ALA 50 -3.433 -0.241 0.565 392 HB2 ALA 50 HB2 ALA 50 -2.770 -1.239 -0.713 393 HB3 ALA 50 HB3 ALA 50 -4.519 -1.056 -0.572 394 H PHE 51 H PHE 51 -3.110 -4.547 -0.263 395 HA PHE 51 HA PHE 51 -0.331 -4.726 0.799 396 HB2 PHE 51 HB2 PHE 51 -2.371 -6.798 -0.042 397 HB3 PHE 51 HB3 PHE 51 -0.650 -7.150 -0.053 398 HD1 PHE 51 HD1 PHE 51 -0.024 -8.471 1.760 399 HD2 PHE 51 HD2 PHE 51 -2.942 -5.351 2.407 400 HE1 PHE 51 HE1 PHE 51 -0.081 -9.005 4.170 401 HE2 PHE 51 HE2 PHE 51 -2.942 -5.864 4.825 402 HZ PHE 51 HZ PHE 51 -1.524 -7.690 5.714 403 H ILE 52 H ILE 52 1.215 -4.482 -0.506 404 HA ILE 52 HA ILE 52 1.059 -4.681 -3.458 405 HB ILE 52 HB ILE 52 2.299 -2.501 -1.806 406 HG12 ILE 52 HG12 ILE 52 -0.083 -2.157 -2.024 407 HG13 ILE 52 HG13 ILE 52 0.819 -0.959 -2.952 408 HG21 ILE 52 HG21 ILE 52 3.768 -3.048 -3.760 409 HG22 ILE 52 HG22 ILE 52 2.437 -2.508 -4.802 410 HG23 ILE 52 HG23 ILE 52 3.179 -1.395 -3.659 411 HD11 ILE 52 HD11 ILE 52 -1.178 -1.694 -4.145 412 HD12 ILE 52 HD12 ILE 52 0.289 -2.044 -5.053 413 HD13 ILE 52 HD13 ILE 52 -0.554 -3.354 -4.210 414 H GLN 53 H GLN 53 2.010 -6.563 -3.681 415 HA GLN 53 HA GLN 53 4.381 -7.580 -2.526 416 HB2 GLN 53 HB2 GLN 53 2.751 -8.938 -3.807 417 HB3 GLN 53 HB3 GLN 53 3.035 -7.940 -5.228 418 HG2 GLN 53 HG2 GLN 53 4.379 -9.585 -5.886 419 HG3 GLN 53 HG3 GLN 53 5.568 -8.852 -4.838 420 HE21 GLN 53 HE21 GLN 53 6.115 -9.889 -2.855 421 HE22 GLN 53 HE22 GLN 53 5.863 -11.620 -2.713 422 H LEU 54 H LEU 54 6.397 -6.731 -2.646 423 HA LEU 54 HA LEU 54 7.074 -4.690 -4.654 424 HB2 LEU 54 HB2 LEU 54 8.182 -5.733 -2.085 425 HB3 LEU 54 HB3 LEU 54 9.400 -5.453 -3.274 426 HG LEU 54 HG LEU 54 9.024 -3.510 -1.845 427 HD11 LEU 54 HD11 LEU 54 9.822 -3.464 -4.239 428 HD12 LEU 54 HD12 LEU 54 9.261 -1.927 -3.571 429 HD13 LEU 54 HD13 LEU 54 8.237 -2.847 -4.696 430 HD21 LEU 54 HD21 LEU 54 6.521 -3.812 -1.583 431 HD22 LEU 54 HD22 LEU 54 6.320 -3.145 -3.202 432 HD23 LEU 54 HD23 LEU 54 7.059 -2.144 -1.940 433 H SER 55 H SER 55 9.193 -5.028 -5.782 434 HA SER 55 HA SER 55 9.098 -7.377 -7.368 435 HB2 SER 55 HB2 SER 55 11.738 -6.332 -7.374 436 HB3 SER 55 HB3 SER 55 10.501 -6.252 -8.631 437 HG SER 55 HG SER 55 11.376 -4.194 -7.669 438 H THR 56 H THR 56 11.322 -6.305 -4.652 439 HA THR 56 HA THR 56 11.583 -9.129 -3.963 440 HB THR 56 HB THR 56 14.267 -8.033 -4.069 441 HG1 THR 56 HG1 THR 56 13.642 -7.020 -6.063 442 HG21 THR 56 HG21 THR 56 14.665 -10.123 -5.269 443 HG22 THR 56 HG22 THR 56 12.917 -10.345 -5.440 444 HG23 THR 56 HG23 THR 56 13.679 -10.408 -3.813 445 H ILE 57 H ILE 57 13.438 -9.196 -2.000 446 HA ILE 57 HA ILE 57 12.173 -7.701 0.091 447 HB ILE 57 HB ILE 57 13.900 -8.658 1.572 448 HG12 ILE 57 HG12 ILE 57 15.221 -10.635 0.190 449 HG13 ILE 57 HG13 ILE 57 15.313 -9.340 -0.992 450 HG21 ILE 57 HG21 ILE 57 11.843 -9.877 0.958 451 HG22 ILE 57 HG22 ILE 57 12.744 -10.702 -0.328 452 HG23 ILE 57 HG23 ILE 57 13.197 -10.949 1.368 453 HD11 ILE 57 HD11 ILE 57 16.228 -9.203 1.909 454 HD12 ILE 57 HD12 ILE 57 17.275 -9.406 0.492 455 HD13 ILE 57 HD13 ILE 57 16.391 -7.891 0.726 456 H VAL 58 H VAL 58 15.085 -7.110 -1.828 457 HA VAL 58 HA VAL 58 16.399 -5.340 -0.001 458 HB VAL 58 HB VAL 58 16.707 -5.471 -3.033 459 HG11 VAL 58 HG11 VAL 58 18.978 -4.656 -2.620 460 HG12 VAL 58 HG12 VAL 58 17.762 -3.479 -2.086 461 HG13 VAL 58 HG13 VAL 58 18.620 -4.476 -0.897 462 HG21 VAL 58 HG21 VAL 58 18.567 -7.016 -2.600 463 HG22 VAL 58 HG22 VAL 58 18.143 -7.066 -0.878 464 HG23 VAL 58 HG23 VAL 58 17.024 -7.714 -2.104 465 H GLU 59 H GLU 59 14.590 -4.684 -2.976 466 HA GLU 59 HA GLU 59 14.040 -2.000 -2.742 467 HB2 GLU 59 HB2 GLU 59 11.813 -2.670 -3.913 468 HB3 GLU 59 HB3 GLU 59 13.374 -2.644 -4.761 469 HG2 GLU 59 HG2 GLU 59 12.482 -4.982 -3.300 470 HG3 GLU 59 HG3 GLU 59 11.680 -4.635 -4.848 471 H ALA 60 H ALA 60 12.350 -4.653 -1.008 472 HA ALA 60 HA ALA 60 10.154 -2.915 -0.228 473 HB1 ALA 60 HB1 ALA 60 10.935 -5.562 1.052 474 HB2 ALA 60 HB2 ALA 60 9.341 -4.753 1.042 475 HB3 ALA 60 HB3 ALA 60 9.995 -5.415 -0.450 476 H ALA 61 H ALA 61 12.893 -4.277 1.650 477 HA ALA 61 HA ALA 61 12.344 -2.871 4.069 478 HB1 ALA 61 HB1 ALA 61 14.849 -4.077 2.838 479 HB2 ALA 61 HB2 ALA 61 14.837 -3.362 4.463 480 HB3 ALA 61 HB3 ALA 61 13.824 -4.769 4.098 481 H GLN 62 H GLN 62 14.272 -1.951 1.206 482 HA GLN 62 HA GLN 62 15.349 0.401 2.553 483 HB2 GLN 62 HB2 GLN 62 15.583 -0.738 -0.223 484 HB3 GLN 62 HB3 GLN 62 16.059 0.918 0.096 485 HG2 GLN 62 HG2 GLN 62 17.892 -0.789 0.267 486 HG3 GLN 62 HG3 GLN 62 17.753 0.367 1.592 487 HE21 GLN 62 HE21 GLN 62 16.439 -2.898 0.809 488 HE22 GLN 62 HE22 GLN 62 16.675 -3.601 2.367 489 H LEU 63 H LEU 63 12.738 -0.169 0.123 490 HA LEU 63 HA LEU 63 11.998 2.586 -0.138 491 HB2 LEU 63 HB2 LEU 63 10.489 -0.022 -0.487 492 HB3 LEU 63 HB3 LEU 63 9.581 1.447 -0.239 493 HG LEU 63 HG LEU 63 10.857 2.558 -2.082 494 HD11 LEU 63 HD11 LEU 63 11.937 1.198 -3.773 495 HD12 LEU 63 HD12 LEU 63 11.477 -0.290 -2.953 496 HD13 LEU 63 HD13 LEU 63 12.685 0.803 -2.238 497 HD21 LEU 63 HD21 LEU 63 9.239 1.782 -3.691 498 HD22 LEU 63 HD22 LEU 63 8.481 1.684 -2.119 499 HD23 LEU 63 HD23 LEU 63 9.090 0.208 -2.867 500 H LEU 64 H LEU 64 11.111 0.129 2.340 501 HA LEU 64 HA LEU 64 9.220 1.735 3.611 502 HB2 LEU 64 HB2 LEU 64 9.701 -0.769 3.915 503 HB3 LEU 64 HB3 LEU 64 11.046 -0.308 4.952 504 HG LEU 64 HG LEU 64 9.363 0.853 6.479 505 HD11 LEU 64 HD11 LEU 64 7.524 1.049 4.741 506 HD12 LEU 64 HD12 LEU 64 7.011 0.285 6.250 507 HD13 LEU 64 HD13 LEU 64 7.323 -0.712 4.813 508 HD21 LEU 64 HD21 LEU 64 10.240 -1.430 6.921 509 HD22 LEU 64 HD22 LEU 64 8.932 -2.111 5.954 510 HD23 LEU 64 HD23 LEU 64 8.561 -1.253 7.470 511 H GLN 65 H GLN 65 12.714 1.969 3.851 512 HA GLN 65 HA GLN 65 12.492 3.963 6.023 513 HB2 GLN 65 HB2 GLN 65 14.931 4.232 5.854 514 HB3 GLN 65 HB3 GLN 65 14.387 2.636 6.360 515 HG2 GLN 65 HG2 GLN 65 14.814 1.731 4.145 516 HG3 GLN 65 HG3 GLN 65 15.349 3.323 3.566 517 HE21 GLN 65 HE21 GLN 65 16.515 0.357 4.639 518 HE22 GLN 65 HE22 GLN 65 18.132 0.931 4.978 519 H ILE 66 H ILE 66 13.671 3.928 2.575 520 HA ILE 66 HA ILE 66 14.139 6.639 2.349 521 HB ILE 66 HB ILE 66 13.098 4.797 0.180 522 HG12 ILE 66 HG12 ILE 66 16.008 5.539 0.557 523 HG13 ILE 66 HG13 ILE 66 15.335 4.174 1.412 524 HG21 ILE 66 HG21 ILE 66 14.176 6.339 -1.446 525 HG22 ILE 66 HG22 ILE 66 12.886 7.134 -0.559 526 HG23 ILE 66 HG23 ILE 66 14.574 7.448 -0.117 527 HD11 ILE 66 HD11 ILE 66 14.585 3.191 -0.791 528 HD12 ILE 66 HD12 ILE 66 15.465 4.500 -1.611 529 HD13 ILE 66 HD13 ILE 66 16.340 3.342 -0.602 530 H LEU 67 H LEU 67 10.967 5.034 1.703 531 HA LEU 67 HA LEU 67 9.920 7.513 0.662 532 HB2 LEU 67 HB2 LEU 67 8.290 5.205 1.769 533 HB3 LEU 67 HB3 LEU 67 7.756 6.441 0.643 534 HG LEU 67 HG LEU 67 9.303 3.936 0.125 535 HD11 LEU 67 HD11 LEU 67 7.884 3.884 -1.862 536 HD12 LEU 67 HD12 LEU 67 7.246 5.494 -1.462 537 HD13 LEU 67 HD13 LEU 67 6.955 4.118 -0.380 538 HD21 LEU 67 HD21 LEU 67 10.111 4.754 -2.091 539 HD22 LEU 67 HD22 LEU 67 10.977 5.481 -0.762 540 HD23 LEU 67 HD23 LEU 67 9.725 6.417 -1.600 541 H GLN 68 H GLN 68 10.280 6.291 3.839 542 HA GLN 68 HA GLN 68 8.290 8.024 5.118 543 HB2 GLN 68 HB2 GLN 68 9.085 5.560 5.721 544 HB3 GLN 68 HB3 GLN 68 10.438 6.388 6.487 545 HG2 GLN 68 HG2 GLN 68 8.769 7.745 7.798 546 HG3 GLN 68 HG3 GLN 68 7.480 6.785 7.085 547 HE21 GLN 68 HE21 GLN 68 8.880 4.137 7.195 548 HE22 GLN 68 HE22 GLN 68 9.032 3.795 8.907 549 H ALA 69 H ALA 69 11.771 7.794 4.448 550 HA ALA 69 HA ALA 69 12.633 9.839 6.267 551 HB1 ALA 69 HB1 ALA 69 13.900 8.733 3.727 552 HB2 ALA 69 HB2 ALA 69 14.731 9.719 4.932 553 HB3 ALA 69 HB3 ALA 69 14.144 8.098 5.369 554 H LEU 70 H LEU 70 10.974 9.984 3.244 555 HA LEU 70 HA LEU 70 11.449 12.911 3.061 556 HB2 LEU 70 HB2 LEU 70 10.065 11.234 0.954 557 HB3 LEU 70 HB3 LEU 70 10.759 12.849 0.805 558 HG LEU 70 HG LEU 70 12.207 10.229 1.067 559 HD11 LEU 70 HD11 LEU 70 12.095 12.116 -1.289 560 HD12 LEU 70 HD12 LEU 70 11.179 10.599 -1.142 561 HD13 LEU 70 HD13 LEU 70 12.945 10.558 -1.232 562 HD21 LEU 70 HD21 LEU 70 14.324 11.434 0.603 563 HD22 LEU 70 HD22 LEU 70 13.603 12.009 2.094 564 HD23 LEU 70 HD23 LEU 70 13.446 12.987 0.617 565 H HIS 71 H HIS 71 9.483 14.026 2.597 566 HA HIS 71 HA HIS 71 6.953 12.645 3.299 567 HB2 HIS 71 HB2 HIS 71 7.897 13.916 5.313 568 HB3 HIS 71 HB3 HIS 71 7.379 15.378 4.496 569 HD1 HIS 71 HD1 HIS 71 4.972 12.449 4.027 570 HD2 HIS 71 HD2 HIS 71 5.784 15.472 6.859 571 HE1 HIS 71 HE1 HIS 71 2.991 12.524 5.584 572 HA PRO 72 HA PRO 72 6.609 15.015 -0.602 573 HB2 PRO 72 HB2 PRO 72 4.968 13.112 -1.842 574 HB3 PRO 72 HB3 PRO 72 6.744 13.190 -1.983 575 HG2 PRO 72 HG2 PRO 72 5.065 11.510 -0.098 576 HG3 PRO 72 HG3 PRO 72 6.475 11.004 -1.086 577 HD2 PRO 72 HD2 PRO 72 6.792 11.573 1.518 578 HD3 PRO 72 HD3 PRO 72 7.993 12.143 0.335 579 HA PRO 73 HA PRO 73 2.587 16.565 0.453 580 HB2 PRO 73 HB2 PRO 73 1.824 17.821 -1.816 581 HB3 PRO 73 HB3 PRO 73 3.318 18.292 -0.964 582 HG2 PRO 73 HG2 PRO 73 3.077 16.444 -3.372 583 HG3 PRO 73 HG3 PRO 73 4.198 17.825 -3.138 584 HD2 PRO 73 HD2 PRO 73 4.855 15.217 -2.657 585 HD3 PRO 73 HD3 PRO 73 5.582 16.575 -1.770 586 H LEU 74 H LEU 74 2.146 14.079 0.568 587 HA LEU 74 HA LEU 74 0.421 13.024 -1.596 588 HB2 LEU 74 HB2 LEU 74 2.767 12.152 -1.178 589 HB3 LEU 74 HB3 LEU 74 2.214 11.558 0.375 590 HG LEU 74 HG LEU 74 1.272 10.782 -2.381 591 HD11 LEU 74 HD11 LEU 74 2.212 8.603 -1.769 592 HD12 LEU 74 HD12 LEU 74 2.599 9.205 -0.133 593 HD13 LEU 74 HD13 LEU 74 3.435 9.862 -1.573 594 HD21 LEU 74 HD21 LEU 74 0.116 9.831 0.279 595 HD22 LEU 74 HD22 LEU 74 -0.061 8.916 -1.226 596 HD23 LEU 74 HD23 LEU 74 -0.764 10.522 -1.116 597 H THR 75 H THR 75 -1.569 13.476 -0.913 598 HA THR 75 HA THR 75 -2.568 12.096 1.479 599 HB THR 75 HB THR 75 -3.808 14.653 1.473 600 HG1 THR 75 HG1 THR 75 -1.913 15.296 0.193 601 HG21 THR 75 HG21 THR 75 -2.551 14.960 3.633 602 HG22 THR 75 HG22 THR 75 -1.612 13.509 3.258 603 HG23 THR 75 HG23 THR 75 -3.368 13.393 3.524 604 H ILE 76 H ILE 76 -3.995 10.816 0.519 605 HA ILE 76 HA ILE 76 -5.811 11.942 -1.564 606 HB ILE 76 HB ILE 76 -5.075 9.063 -1.021 607 HG12 ILE 76 HG12 ILE 76 -4.440 10.800 -3.369 608 HG13 ILE 76 HG13 ILE 76 -3.279 10.443 -2.100 609 HG21 ILE 76 HG21 ILE 76 -6.458 8.526 -2.994 610 HG22 ILE 76 HG22 ILE 76 -7.437 9.302 -1.763 611 HG23 ILE 76 HG23 ILE 76 -6.889 10.242 -3.167 612 HD11 ILE 76 HD11 ILE 76 -2.821 9.057 -3.978 613 HD12 ILE 76 HD12 ILE 76 -3.379 8.061 -2.628 614 HD13 ILE 76 HD13 ILE 76 -4.459 8.428 -4.023 615 H ASP 77 H ASP 77 -7.905 12.206 -1.076 616 HA ASP 77 HA ASP 77 -9.699 12.615 0.175 617 HB2 ASP 77 HB2 ASP 77 -9.577 10.179 -0.773 618 HB3 ASP 77 HB3 ASP 77 -9.686 9.713 0.921 619 H GLY 78 H GLY 78 -7.444 13.274 1.837 620 HA2 GLY 78 HA2 GLY 78 -7.133 14.106 3.894 621 HA3 GLY 78 HA3 GLY 78 -8.740 13.629 4.366 622 H LYS 79 H LYS 79 -6.743 11.115 3.113 623 HA LYS 79 HA LYS 79 -5.887 10.093 5.807 624 HB2 LYS 79 HB2 LYS 79 -6.373 8.573 3.204 625 HB3 LYS 79 HB3 LYS 79 -5.790 7.899 4.710 626 HG2 LYS 79 HG2 LYS 79 -8.545 8.977 4.061 627 HG3 LYS 79 HG3 LYS 79 -8.098 7.349 4.577 628 HD2 LYS 79 HD2 LYS 79 -7.601 8.220 6.857 629 HD3 LYS 79 HD3 LYS 79 -8.124 9.829 6.314 630 HE2 LYS 79 HE2 LYS 79 -10.280 8.445 5.504 631 HE3 LYS 79 HE3 LYS 79 -9.753 7.356 6.795 632 HZ1 LYS 79 HZ1 LYS 79 -10.414 10.229 7.034 633 HZ2 LYS 79 HZ2 LYS 79 -9.758 9.352 8.254 634 HZ3 LYS 79 HZ3 LYS 79 -11.256 8.963 7.692 635 H THR 80 H THR 80 -3.750 10.605 6.100 636 HA THR 80 HA THR 80 -1.929 10.879 3.790 637 HB THR 80 HB THR 80 -1.422 10.654 6.802 638 HG1 THR 80 HG1 THR 80 -1.945 12.647 6.902 639 HG21 THR 80 HG21 THR 80 0.329 11.701 4.541 640 HG22 THR 80 HG22 THR 80 0.576 10.153 5.373 641 HG23 THR 80 HG23 THR 80 0.764 11.674 6.263 642 H ILE 81 H ILE 81 -1.016 8.939 2.980 643 HA ILE 81 HA ILE 81 -1.953 6.314 4.013 644 HB ILE 81 HB ILE 81 0.153 6.907 1.921 645 HG12 ILE 81 HG12 ILE 81 -1.925 7.949 1.180 646 HG13 ILE 81 HG13 ILE 81 -1.684 6.457 0.301 647 HG21 ILE 81 HG21 ILE 81 0.261 4.623 2.732 648 HG22 ILE 81 HG22 ILE 81 -1.487 4.469 2.743 649 HG23 ILE 81 HG23 ILE 81 -0.598 4.588 1.196 650 HD11 ILE 81 HD11 ILE 81 -3.345 5.329 1.900 651 HD12 ILE 81 HD12 ILE 81 -3.665 6.932 2.585 652 HD13 ILE 81 HD13 ILE 81 -4.027 6.601 0.877 653 H ASN 82 H ASN 82 -0.371 4.616 4.736 654 HA ASN 82 HA ASN 82 1.888 5.766 6.271 655 HB2 ASN 82 HB2 ASN 82 -0.408 4.171 7.229 656 HB3 ASN 82 HB3 ASN 82 1.172 3.619 7.773 657 HD21 ASN 82 HD21 ASN 82 -1.035 4.870 9.364 658 HD22 ASN 82 HD22 ASN 82 0.042 5.963 10.216 659 H VAL 83 H VAL 83 3.620 4.342 6.603 660 HA VAL 83 HA VAL 83 3.913 2.280 4.486 661 HB VAL 83 HB VAL 83 6.433 2.836 5.184 662 HG11 VAL 83 HG11 VAL 83 6.745 4.138 3.283 663 HG12 VAL 83 HG12 VAL 83 5.374 3.078 2.896 664 HG13 VAL 83 HG13 VAL 83 5.119 4.792 3.326 665 HG21 VAL 83 HG21 VAL 83 5.942 4.538 6.899 666 HG22 VAL 83 HG22 VAL 83 6.865 5.187 5.539 667 HG23 VAL 83 HG23 VAL 83 5.149 5.557 5.666 668 H GLU 84 H GLU 84 3.229 0.442 5.560 669 HA GLU 84 HA GLU 84 4.854 -0.329 7.957 670 HB2 GLU 84 HB2 GLU 84 1.919 -0.778 7.291 671 HB3 GLU 84 HB3 GLU 84 2.778 -1.850 8.384 672 HG2 GLU 84 HG2 GLU 84 2.496 1.174 8.773 673 HG3 GLU 84 HG3 GLU 84 1.501 -0.042 9.538 674 H PHE 85 H PHE 85 5.569 -2.615 7.931 675 HA PHE 85 HA PHE 85 5.925 -3.644 5.214 676 HB2 PHE 85 HB2 PHE 85 6.918 -4.294 7.928 677 HB3 PHE 85 HB3 PHE 85 6.478 -5.711 7.032 678 HD1 PHE 85 HD1 PHE 85 9.219 -4.576 8.108 679 HD2 PHE 85 HD2 PHE 85 7.393 -4.876 4.189 680 HE1 PHE 85 HE1 PHE 85 11.450 -4.766 7.066 681 HE2 PHE 85 HE2 PHE 85 9.632 -5.088 3.190 682 HZ PHE 85 HZ PHE 85 11.656 -5.056 4.616 683 H ALA 86 H ALA 86 4.990 -5.623 4.369 684 HA ALA 86 HA ALA 86 2.549 -6.573 5.719 685 HB1 ALA 86 HB1 ALA 86 2.530 -6.243 3.257 686 HB2 ALA 86 HB2 ALA 86 3.775 -7.511 3.136 687 HB3 ALA 86 HB3 ALA 86 2.164 -7.905 3.745 688 H LYS 87 H LYS 87 2.559 -9.211 5.233 689 HA LYS 87 HA LYS 87 4.649 -10.396 6.911 690 HB2 LYS 87 HB2 LYS 87 3.270 -8.984 8.418 691 HB3 LYS 87 HB3 LYS 87 1.817 -9.796 7.873 692 HG2 LYS 87 HG2 LYS 87 2.632 -11.921 8.891 693 HG3 LYS 87 HG3 LYS 87 4.109 -11.066 9.411 694 HD2 LYS 87 HD2 LYS 87 2.640 -9.394 10.604 695 HD3 LYS 87 HD3 LYS 87 1.231 -10.396 10.211 696 HE2 LYS 87 HE2 LYS 87 2.111 -12.239 11.534 697 HE3 LYS 87 HE3 LYS 87 3.646 -11.381 11.777 698 HZ1 LYS 87 HZ1 LYS 87 2.266 -11.122 13.698 699 HZ2 LYS 87 HZ2 LYS 87 1.010 -10.527 12.812 700 HZ3 LYS 87 HZ3 LYS 87 2.400 -9.661 12.941 701 H GLY 88 H GLY 88 4.848 -12.172 5.558 702 HA2 GLY 88 HA2 GLY 88 2.439 -13.889 5.163 703 HA3 GLY 88 HA3 GLY 88 3.595 -13.574 3.852 704 H SER 89 H SER 89 2.914 -15.525 6.598 705 HA SER 89 HA SER 89 4.896 -17.325 5.743 706 HB2 SER 89 HB2 SER 89 6.180 -15.862 7.463 707 HB3 SER 89 HB3 SER 89 5.148 -16.588 8.688 708 HG SER 89 HG SER 89 5.982 -18.633 7.991 Start of MODEL 19 1 H1 GLY 1 H GLY 1 4.140 -12.448 3.751 2 HA2 GLY 1 HA2 GLY 1 4.676 -10.383 4.997 3 HA3 GLY 1 HA3 GLY 1 4.620 -11.351 6.471 4 H HIS 2 H HIS 2 6.188 -11.208 3.270 5 HA HIS 2 HA HIS 2 8.774 -11.001 3.960 6 HB2 HIS 2 HB2 HIS 2 9.470 -13.345 3.028 7 HB3 HIS 2 HB3 HIS 2 9.097 -13.196 4.721 8 HD1 HIS 2 HD1 HIS 2 7.060 -14.256 1.504 9 HD2 HIS 2 HD2 HIS 2 7.474 -14.976 5.646 10 HE1 HIS 2 HE1 HIS 2 5.390 -16.049 2.086 11 H MET 3 H MET 3 9.929 -12.089 1.747 12 HA MET 3 HA MET 3 10.133 -12.299 -0.456 13 HB2 MET 3 HB2 MET 3 7.796 -13.413 -0.131 14 HB3 MET 3 HB3 MET 3 7.156 -11.933 -0.840 15 HG2 MET 3 HG2 MET 3 7.350 -13.235 -2.674 16 HG3 MET 3 HG3 MET 3 8.895 -12.418 -2.754 17 HE1 MET 3 HE1 MET 3 7.565 -15.014 -4.026 18 HE2 MET 3 HE2 MET 3 9.206 -14.626 -4.592 19 HE3 MET 3 HE3 MET 3 8.806 -16.269 -4.025 20 H ASP 4 H ASP 4 7.647 -9.903 0.225 21 HA ASP 4 HA ASP 4 8.811 -7.528 -0.713 22 HB2 ASP 4 HB2 ASP 4 7.516 -7.418 -2.945 23 HB3 ASP 4 HB3 ASP 4 9.086 -8.152 -2.864 24 H THR 5 H THR 5 6.550 -8.945 1.187 25 HA THR 5 HA THR 5 4.255 -7.373 0.189 26 HB THR 5 HB THR 5 4.220 -9.130 2.655 27 HG1 THR 5 HG1 THR 5 3.962 -10.885 1.411 28 HG21 THR 5 HG21 THR 5 2.138 -7.828 2.040 29 HG22 THR 5 HG22 THR 5 1.903 -9.575 1.896 30 HG23 THR 5 HG23 THR 5 2.185 -8.599 0.444 31 H ILE 6 H ILE 6 3.086 -5.713 1.304 32 HA ILE 6 HA ILE 6 4.083 -4.707 3.890 33 HB ILE 6 HB ILE 6 3.825 -2.819 1.509 34 HG12 ILE 6 HG12 ILE 6 6.345 -4.063 2.663 35 HG13 ILE 6 HG13 ILE 6 5.665 -4.301 1.049 36 HG21 ILE 6 HG21 ILE 6 3.515 -1.713 3.715 37 HG22 ILE 6 HG22 ILE 6 5.137 -2.286 4.181 38 HG23 ILE 6 HG23 ILE 6 4.859 -1.159 2.825 39 HD11 ILE 6 HD11 ILE 6 7.362 -2.166 2.038 40 HD12 ILE 6 HD12 ILE 6 7.179 -2.829 0.439 41 HD13 ILE 6 HD13 ILE 6 6.041 -1.599 0.992 42 H ILE 7 H ILE 7 2.588 -3.041 4.713 43 HA ILE 7 HA ILE 7 -0.260 -3.427 3.960 44 HB ILE 7 HB ILE 7 0.975 -3.003 6.713 45 HG12 ILE 7 HG12 ILE 7 -0.012 -5.486 5.297 46 HG13 ILE 7 HG13 ILE 7 1.478 -5.177 6.139 47 HG21 ILE 7 HG21 ILE 7 -1.916 -3.599 6.120 48 HG22 ILE 7 HG22 ILE 7 -1.176 -3.148 7.675 49 HG23 ILE 7 HG23 ILE 7 -1.303 -1.944 6.413 50 HD11 ILE 7 HD11 ILE 7 0.287 -5.177 8.323 51 HD12 ILE 7 HD12 ILE 7 -1.243 -5.529 7.474 52 HD13 ILE 7 HD13 ILE 7 0.059 -6.705 7.445 53 H LEU 8 H LEU 8 -0.525 -1.615 2.699 54 HA LEU 8 HA LEU 8 0.219 1.088 3.620 55 HB2 LEU 8 HB2 LEU 8 -1.900 0.394 1.542 56 HB3 LEU 8 HB3 LEU 8 -1.101 1.916 1.804 57 HG LEU 8 HG LEU 8 -0.002 -0.610 0.600 58 HD11 LEU 8 HD11 LEU 8 0.178 0.840 -1.401 59 HD12 LEU 8 HD12 LEU 8 -0.357 2.228 -0.456 60 HD13 LEU 8 HD13 LEU 8 -1.470 0.884 -0.771 61 HD21 LEU 8 HD21 LEU 8 1.592 1.896 1.249 62 HD22 LEU 8 HD22 LEU 8 2.121 0.583 0.171 63 HD23 LEU 8 HD23 LEU 8 1.859 0.247 1.881 64 H ARG 9 H ARG 9 -0.778 1.095 5.849 65 HA ARG 9 HA ARG 9 -3.584 0.541 6.057 66 HB2 ARG 9 HB2 ARG 9 -1.545 0.718 7.913 67 HB3 ARG 9 HB3 ARG 9 -2.312 2.305 8.096 68 HG2 ARG 9 HG2 ARG 9 -4.546 0.723 7.980 69 HG3 ARG 9 HG3 ARG 9 -3.332 -0.440 8.551 70 HD2 ARG 9 HD2 ARG 9 -3.050 0.800 10.599 71 HD3 ARG 9 HD3 ARG 9 -3.635 2.299 9.845 72 HE ARG 9 HE ARG 9 -5.750 0.359 9.897 73 HH11 ARG 9 HH11 ARG 9 -4.087 2.842 11.874 74 HH12 ARG 9 HH12 ARG 9 -5.444 3.069 12.912 75 HH21 ARG 9 HH21 ARG 9 -7.540 0.757 11.195 76 HH22 ARG 9 HH22 ARG 9 -7.547 2.097 12.288 77 H ASN 10 H ASN 10 -4.799 2.571 7.346 78 HA ASN 10 HA ASN 10 -5.671 4.601 7.288 79 HB2 ASN 10 HB2 ASN 10 -3.039 5.147 6.758 80 HB3 ASN 10 HB3 ASN 10 -3.829 5.851 5.324 81 HD21 ASN 10 HD21 ASN 10 -2.557 6.668 8.073 82 HD22 ASN 10 HD22 ASN 10 -3.646 7.849 8.716 83 H LEU 11 H LEU 11 -5.396 2.638 4.606 84 HA LEU 11 HA LEU 11 -6.142 4.054 2.402 85 HB2 LEU 11 HB2 LEU 11 -5.694 1.360 3.161 86 HB3 LEU 11 HB3 LEU 11 -7.306 1.333 2.472 87 HG LEU 11 HG LEU 11 -5.527 0.780 0.899 88 HD11 LEU 11 HD11 LEU 11 -6.250 2.080 -0.968 89 HD12 LEU 11 HD12 LEU 11 -6.710 3.454 0.077 90 HD13 LEU 11 HD13 LEU 11 -7.636 1.954 0.118 91 HD21 LEU 11 HD21 LEU 11 -4.514 3.613 1.013 92 HD22 LEU 11 HD22 LEU 11 -3.816 2.217 0.164 93 HD23 LEU 11 HD23 LEU 11 -3.781 2.288 1.926 94 H ASN 12 H ASN 12 -7.768 5.430 2.250 95 HA ASN 12 HA ASN 12 -10.176 5.688 3.334 96 HB2 ASN 12 HB2 ASN 12 -8.901 6.709 0.939 97 HB3 ASN 12 HB3 ASN 12 -10.537 6.313 0.513 98 HD21 ASN 12 HD21 ASN 12 -11.168 8.564 0.194 99 HD22 ASN 12 HD22 ASN 12 -11.041 9.661 1.532 100 HA PRO 13 HA PRO 13 -12.827 2.521 1.883 101 HB2 PRO 13 HB2 PRO 13 -15.317 3.636 1.924 102 HB3 PRO 13 HB3 PRO 13 -14.356 3.558 3.424 103 HG2 PRO 13 HG2 PRO 13 -14.542 5.934 1.527 104 HG3 PRO 13 HG3 PRO 13 -14.808 5.938 3.280 105 HD2 PRO 13 HD2 PRO 13 -12.448 6.586 2.287 106 HD3 PRO 13 HD3 PRO 13 -12.524 5.591 3.765 107 H HIS 14 H HIS 14 -12.868 5.499 0.042 108 HA HIS 14 HA HIS 14 -13.941 4.126 -2.386 109 HB2 HIS 14 HB2 HIS 14 -14.465 6.835 -1.124 110 HB3 HIS 14 HB3 HIS 14 -14.632 6.647 -2.855 111 HD1 HIS 14 HD1 HIS 14 -17.063 6.282 -3.496 112 HD2 HIS 14 HD2 HIS 14 -16.018 4.652 0.232 113 HE1 HIS 14 HE1 HIS 14 -19.136 5.080 -2.619 114 H SER 15 H SER 15 -10.956 4.886 -1.283 115 HA SER 15 HA SER 15 -9.976 6.743 -3.098 116 HB2 SER 15 HB2 SER 15 -7.788 5.532 -2.501 117 HB3 SER 15 HB3 SER 15 -8.771 6.156 -1.171 118 HG SER 15 HG SER 15 -8.837 3.477 -2.029 119 H THR 16 H THR 16 -8.208 6.176 -4.564 120 HA THR 16 HA THR 16 -8.985 4.228 -6.649 121 HB THR 16 HB THR 16 -9.584 6.296 -7.506 122 HG1 THR 16 HG1 THR 16 -8.293 5.514 -9.049 123 HG21 THR 16 HG21 THR 16 -8.773 7.848 -5.819 124 HG22 THR 16 HG22 THR 16 -8.249 8.363 -7.410 125 HG23 THR 16 HG23 THR 16 -7.095 7.569 -6.322 126 H MET 17 H MET 17 -7.580 2.649 -6.610 127 HA MET 17 HA MET 17 -5.057 2.807 -5.248 128 HB2 MET 17 HB2 MET 17 -4.590 0.631 -6.164 129 HB3 MET 17 HB3 MET 17 -6.233 0.681 -5.495 130 HG2 MET 17 HG2 MET 17 -7.053 1.100 -7.837 131 HG3 MET 17 HG3 MET 17 -5.404 0.840 -8.412 132 HE1 MET 17 HE1 MET 17 -8.106 -0.532 -9.443 133 HE2 MET 17 HE2 MET 17 -6.486 -0.775 -10.141 134 HE3 MET 17 HE3 MET 17 -7.488 -2.171 -9.713 135 H ASP 18 H ASP 18 -6.038 3.482 -8.575 136 HA ASP 18 HA ASP 18 -3.593 3.515 -9.905 137 HB2 ASP 18 HB2 ASP 18 -5.692 3.933 -11.045 138 HB3 ASP 18 HB3 ASP 18 -5.992 5.368 -10.074 139 H SER 19 H SER 19 -4.998 6.081 -7.773 140 HA SER 19 HA SER 19 -2.764 7.877 -8.332 141 HB2 SER 19 HB2 SER 19 -4.913 8.004 -6.178 142 HB3 SER 19 HB3 SER 19 -3.844 9.310 -6.691 143 HG SER 19 HG SER 19 -4.757 8.934 -8.864 144 H ILE 20 H ILE 20 -3.601 5.490 -5.932 145 HA ILE 20 HA ILE 20 -1.495 6.132 -4.016 146 HB ILE 20 HB ILE 20 -2.971 3.551 -4.544 147 HG12 ILE 20 HG12 ILE 20 -3.540 5.647 -2.428 148 HG13 ILE 20 HG13 ILE 20 -4.454 5.479 -3.916 149 HG21 ILE 20 HG21 ILE 20 -2.280 2.858 -2.266 150 HG22 ILE 20 HG22 ILE 20 -0.857 3.199 -3.235 151 HG23 ILE 20 HG23 ILE 20 -1.408 4.393 -2.054 152 HD11 ILE 20 HD11 ILE 20 -5.758 4.387 -2.298 153 HD12 ILE 20 HD12 ILE 20 -4.981 3.076 -3.177 154 HD13 ILE 20 HD13 ILE 20 -4.354 3.563 -1.598 155 H LEU 21 H LEU 21 -1.627 4.162 -6.982 156 HA LEU 21 HA LEU 21 1.087 3.155 -6.731 157 HB2 LEU 21 HB2 LEU 21 -0.782 3.423 -9.118 158 HB3 LEU 21 HB3 LEU 21 0.801 2.669 -9.185 159 HG LEU 21 HG LEU 21 -1.311 1.702 -7.234 160 HD11 LEU 21 HD11 LEU 21 -0.921 0.700 -10.048 161 HD12 LEU 21 HD12 LEU 21 -2.327 1.576 -9.440 162 HD13 LEU 21 HD13 LEU 21 -1.964 -0.035 -8.813 163 HD21 LEU 21 HD21 LEU 21 -0.034 -0.405 -7.335 164 HD22 LEU 21 HD22 LEU 21 0.957 0.957 -6.770 165 HD23 LEU 21 HD23 LEU 21 1.129 0.390 -8.435 166 H GLY 22 H GLY 22 -0.418 5.731 -8.727 167 HA2 GLY 22 HA2 GLY 22 2.043 6.868 -9.590 168 HA3 GLY 22 HA3 GLY 22 0.428 7.550 -9.757 169 H ALA 23 H ALA 23 1.759 6.806 -6.591 170 HA ALA 23 HA ALA 23 2.750 9.571 -6.206 171 HB1 ALA 23 HB1 ALA 23 0.733 8.239 -4.350 172 HB2 ALA 23 HB2 ALA 23 1.570 9.785 -4.046 173 HB3 ALA 23 HB3 ALA 23 0.430 9.645 -5.395 174 H LEU 24 H LEU 24 3.043 6.124 -5.562 175 HA LEU 24 HA LEU 24 5.358 6.679 -3.821 176 HB2 LEU 24 HB2 LEU 24 3.097 6.201 -2.557 177 HB3 LEU 24 HB3 LEU 24 3.418 4.532 -3.014 178 HG LEU 24 HG LEU 24 5.815 5.258 -2.053 179 HD11 LEU 24 HD11 LEU 24 4.036 6.953 -0.341 180 HD12 LEU 24 HD12 LEU 24 4.946 7.585 -1.738 181 HD13 LEU 24 HD13 LEU 24 5.801 6.866 -0.353 182 HD21 LEU 24 HD21 LEU 24 5.269 4.310 0.131 183 HD22 LEU 24 HD22 LEU 24 4.540 3.371 -1.183 184 HD23 LEU 24 HD23 LEU 24 3.531 4.477 -0.218 185 H ALA 25 H ALA 25 4.735 5.466 -6.659 186 HA ALA 25 HA ALA 25 6.497 3.087 -6.215 187 HB1 ALA 25 HB1 ALA 25 5.519 2.118 -8.175 188 HB2 ALA 25 HB2 ALA 25 4.272 2.511 -6.985 189 HB3 ALA 25 HB3 ALA 25 4.486 3.546 -8.421 190 HA PRO 26 HA PRO 26 8.956 6.045 -8.889 191 HB2 PRO 26 HB2 PRO 26 11.119 6.405 -7.219 192 HB3 PRO 26 HB3 PRO 26 9.691 7.488 -7.289 193 HG2 PRO 26 HG2 PRO 26 10.284 5.278 -5.317 194 HG3 PRO 26 HG3 PRO 26 9.600 6.904 -5.012 195 HD2 PRO 26 HD2 PRO 26 8.068 4.603 -5.228 196 HD3 PRO 26 HD3 PRO 26 7.491 6.240 -5.697 197 H TYR 27 H TYR 27 9.526 3.086 -7.138 198 HA TYR 27 HA TYR 27 11.615 2.253 -9.092 199 HB2 TYR 27 HB2 TYR 27 11.546 1.698 -6.106 200 HB3 TYR 27 HB3 TYR 27 12.776 1.163 -7.234 201 HD1 TYR 27 HD1 TYR 27 11.847 3.704 -4.856 202 HD2 TYR 27 HD2 TYR 27 14.047 3.079 -8.534 203 HE1 TYR 27 HE1 TYR 27 13.082 5.724 -4.426 204 HE2 TYR 27 HE2 TYR 27 15.262 5.192 -8.136 205 HH TYR 27 HH TYR 27 15.022 7.190 -6.948 206 H ALA 28 H ALA 28 9.236 1.206 -6.718 207 HA ALA 28 HA ALA 28 8.734 -1.546 -7.540 208 HB1 ALA 28 HB1 ALA 28 6.876 -1.309 -6.172 209 HB2 ALA 28 HB2 ALA 28 8.020 -0.213 -5.411 210 HB3 ALA 28 HB3 ALA 28 6.741 0.453 -6.439 211 H VAL 29 H VAL 29 7.456 -2.459 -9.030 212 HA VAL 29 HA VAL 29 6.001 -0.597 -10.664 213 HB VAL 29 HB VAL 29 7.568 -2.857 -11.990 214 HG11 VAL 29 HG11 VAL 29 7.359 -1.602 -14.019 215 HG12 VAL 29 HG12 VAL 29 5.752 -1.695 -13.255 216 HG13 VAL 29 HG13 VAL 29 6.694 -0.202 -13.152 217 HG21 VAL 29 HG21 VAL 29 9.357 -1.625 -10.955 218 HG22 VAL 29 HG22 VAL 29 9.352 -1.324 -12.703 219 HG23 VAL 29 HG23 VAL 29 8.709 -0.081 -11.584 220 H LEU 30 H LEU 30 4.504 -0.947 -9.672 221 HA LEU 30 HA LEU 30 2.993 -3.486 -10.322 222 HB2 LEU 30 HB2 LEU 30 1.949 -1.701 -8.163 223 HB3 LEU 30 HB3 LEU 30 2.081 -3.435 -8.282 224 HG LEU 30 HG LEU 30 3.329 -2.740 -6.539 225 HD11 LEU 30 HD11 LEU 30 4.532 -4.499 -7.679 226 HD12 LEU 30 HD12 LEU 30 5.545 -3.478 -6.659 227 HD13 LEU 30 HD13 LEU 30 5.601 -3.306 -8.391 228 HD21 LEU 30 HD21 LEU 30 4.989 -0.706 -7.820 229 HD22 LEU 30 HD22 LEU 30 4.721 -1.118 -6.084 230 HD23 LEU 30 HD23 LEU 30 3.430 -0.386 -7.061 231 H SER 31 H SER 31 0.881 -3.517 -10.784 232 HA SER 31 HA SER 31 -0.811 -1.199 -11.071 233 HB2 SER 31 HB2 SER 31 -0.043 -2.711 -13.635 234 HB3 SER 31 HB3 SER 31 -1.489 -1.699 -13.404 235 HG SER 31 HG SER 31 -0.251 -0.219 -14.075 236 H SER 32 H SER 32 -1.797 -2.336 -9.553 237 HA SER 32 HA SER 32 -3.524 -3.400 -8.652 238 HB2 SER 32 HB2 SER 32 -5.404 -3.478 -9.969 239 HB3 SER 32 HB3 SER 32 -4.246 -2.319 -10.657 240 HG SER 32 HG SER 32 -3.661 -4.057 -12.165 241 H SER 33 H SER 33 -2.034 -5.609 -11.040 242 HA SER 33 HA SER 33 -3.008 -8.040 -10.032 243 HB2 SER 33 HB2 SER 33 -0.197 -8.270 -10.513 244 HB3 SER 33 HB3 SER 33 -1.541 -8.811 -11.495 245 HG SER 33 HG SER 33 -1.566 -6.828 -12.554 246 H ASN 34 H ASN 34 -1.111 -5.602 -8.595 247 HA ASN 34 HA ASN 34 -0.311 -7.450 -6.316 248 HB2 ASN 34 HB2 ASN 34 1.070 -4.956 -7.294 249 HB3 ASN 34 HB3 ASN 34 1.537 -5.864 -5.890 250 HD21 ASN 34 HD21 ASN 34 2.572 -5.297 -8.812 251 HD22 ASN 34 HD22 ASN 34 3.384 -6.815 -9.169 252 H VAL 35 H VAL 35 -2.682 -5.465 -6.955 253 HA VAL 35 HA VAL 35 -2.529 -4.082 -4.313 254 HB VAL 35 HB VAL 35 -4.280 -3.261 -6.645 255 HG11 VAL 35 HG11 VAL 35 -5.242 -2.742 -4.416 256 HG12 VAL 35 HG12 VAL 35 -3.721 -1.945 -3.942 257 HG13 VAL 35 HG13 VAL 35 -4.728 -1.288 -5.238 258 HG21 VAL 35 HG21 VAL 35 -1.746 -1.951 -5.529 259 HG22 VAL 35 HG22 VAL 35 -1.875 -2.745 -7.109 260 HG23 VAL 35 HG23 VAL 35 -2.803 -1.268 -6.786 261 H ARG 36 H ARG 36 -3.851 -4.881 -2.712 262 HA ARG 36 HA ARG 36 -6.531 -5.477 -3.504 263 HB2 ARG 36 HB2 ARG 36 -5.373 -7.728 -3.653 264 HB3 ARG 36 HB3 ARG 36 -4.997 -7.606 -1.946 265 HG2 ARG 36 HG2 ARG 36 -7.031 -8.982 -2.522 266 HG3 ARG 36 HG3 ARG 36 -7.313 -7.709 -1.340 267 HD2 ARG 36 HD2 ARG 36 -9.160 -7.931 -2.966 268 HD3 ARG 36 HD3 ARG 36 -8.444 -6.328 -2.958 269 HE ARG 36 HE ARG 36 -7.250 -8.021 -4.999 270 HH11 ARG 36 HH11 ARG 36 -9.793 -5.696 -4.342 271 HH12 ARG 36 HH12 ARG 36 -10.565 -5.830 -5.889 272 HH21 ARG 36 HH21 ARG 36 -8.019 -7.959 -7.213 273 HH22 ARG 36 HH22 ARG 36 -9.507 -7.215 -7.593 274 H VAL 37 H VAL 37 -7.614 -4.141 -2.166 275 HA VAL 37 HA VAL 37 -6.441 -3.545 0.488 276 HB VAL 37 HB VAL 37 -8.859 -2.144 -0.570 277 HG11 VAL 37 HG11 VAL 37 -8.021 -1.631 1.703 278 HG12 VAL 37 HG12 VAL 37 -6.424 -1.283 1.045 279 HG13 VAL 37 HG13 VAL 37 -7.791 -0.240 0.650 280 HG21 VAL 37 HG21 VAL 37 -7.408 -1.914 -2.529 281 HG22 VAL 37 HG22 VAL 37 -7.650 -0.402 -1.646 282 HG23 VAL 37 HG23 VAL 37 -6.108 -1.285 -1.490 283 H ILE 38 H ILE 38 -7.529 -6.134 0.148 284 HA ILE 38 HA ILE 38 -9.074 -7.614 0.907 285 HB ILE 38 HB ILE 38 -8.938 -5.980 3.427 286 HG12 ILE 38 HG12 ILE 38 -6.672 -5.915 2.747 287 HG13 ILE 38 HG13 ILE 38 -6.836 -7.106 4.019 288 HG21 ILE 38 HG21 ILE 38 -8.923 -8.164 4.535 289 HG22 ILE 38 HG22 ILE 38 -10.341 -7.994 3.499 290 HG23 ILE 38 HG23 ILE 38 -8.970 -8.983 2.960 291 HD11 ILE 38 HD11 ILE 38 -5.311 -7.906 2.324 292 HD12 ILE 38 HD12 ILE 38 -6.749 -8.932 2.329 293 HD13 ILE 38 HD13 ILE 38 -6.525 -7.703 1.053 294 H LYS 39 H LYS 39 -10.738 -6.878 -0.600 295 HA LYS 39 HA LYS 39 -12.476 -4.644 0.071 296 HB2 LYS 39 HB2 LYS 39 -12.248 -6.696 -2.113 297 HB3 LYS 39 HB3 LYS 39 -13.825 -5.941 -1.927 298 HG2 LYS 39 HG2 LYS 39 -11.371 -4.170 -1.991 299 HG3 LYS 39 HG3 LYS 39 -11.949 -4.885 -3.507 300 HD2 LYS 39 HD2 LYS 39 -14.132 -3.919 -3.243 301 HD3 LYS 39 HD3 LYS 39 -13.749 -3.314 -1.632 302 HE2 LYS 39 HE2 LYS 39 -12.326 -1.631 -2.428 303 HE3 LYS 39 HE3 LYS 39 -12.076 -2.424 -3.992 304 HZ1 LYS 39 HZ1 LYS 39 -14.730 -1.474 -3.207 305 HZ2 LYS 39 HZ2 LYS 39 -14.148 -1.831 -4.702 306 HZ3 LYS 39 HZ3 LYS 39 -13.652 -0.445 -3.907 307 H ASP 40 H ASP 40 -14.567 -4.615 0.976 308 HA ASP 40 HA ASP 40 -15.300 -7.031 2.429 309 HB2 ASP 40 HB2 ASP 40 -15.839 -4.651 3.217 310 HB3 ASP 40 HB3 ASP 40 -17.099 -4.650 1.949 311 H LYS 41 H LYS 41 -17.634 -7.809 2.208 312 HA LYS 41 HA LYS 41 -18.360 -8.300 -0.618 313 HB2 LYS 41 HB2 LYS 41 -19.832 -10.089 0.609 314 HB3 LYS 41 HB3 LYS 41 -18.173 -10.433 0.143 315 HG2 LYS 41 HG2 LYS 41 -18.641 -9.251 2.834 316 HG3 LYS 41 HG3 LYS 41 -19.324 -10.857 2.617 317 HD2 LYS 41 HD2 LYS 41 -16.424 -10.284 1.906 318 HD3 LYS 41 HD3 LYS 41 -16.919 -10.776 3.540 319 HE2 LYS 41 HE2 LYS 41 -17.787 -12.850 2.821 320 HE3 LYS 41 HE3 LYS 41 -17.828 -12.368 1.119 321 HZ1 LYS 41 HZ1 LYS 41 -15.297 -12.647 2.588 322 HZ2 LYS 41 HZ2 LYS 41 -15.548 -12.572 0.947 323 HZ3 LYS 41 HZ3 LYS 41 -16.020 -13.900 1.790 324 H GLN 42 H GLN 42 -19.526 -6.983 2.475 325 HA GLN 42 HA GLN 42 -22.348 -6.955 1.546 326 HB2 GLN 42 HB2 GLN 42 -21.079 -5.709 4.034 327 HB3 GLN 42 HB3 GLN 42 -22.750 -5.503 3.540 328 HG2 GLN 42 HG2 GLN 42 -22.831 -7.157 5.184 329 HG3 GLN 42 HG3 GLN 42 -23.044 -8.010 3.657 330 HE21 GLN 42 HE21 GLN 42 -20.374 -6.948 5.882 331 HE22 GLN 42 HE22 GLN 42 -19.354 -8.339 5.599 332 H THR 43 H THR 43 -19.844 -4.510 2.475 333 HA THR 43 HA THR 43 -21.450 -2.569 0.960 334 HB THR 43 HB THR 43 -20.863 -2.050 3.273 335 HG1 THR 43 HG1 THR 43 -20.390 0.020 2.841 336 HG21 THR 43 HG21 THR 43 -18.697 -3.052 3.565 337 HG22 THR 43 HG22 THR 43 -18.567 -1.318 3.828 338 HG23 THR 43 HG23 THR 43 -17.987 -2.032 2.315 339 H GLN 44 H GLN 44 -18.717 -4.491 0.316 340 HA GLN 44 HA GLN 44 -17.118 -4.555 -1.276 341 HB2 GLN 44 HB2 GLN 44 -19.080 -2.844 -2.831 342 HB3 GLN 44 HB3 GLN 44 -17.668 -3.619 -3.524 343 HG2 GLN 44 HG2 GLN 44 -19.900 -5.125 -2.101 344 HG3 GLN 44 HG3 GLN 44 -19.772 -4.888 -3.860 345 HE21 GLN 44 HE21 GLN 44 -19.938 -7.394 -2.688 346 HE22 GLN 44 HE22 GLN 44 -18.377 -8.227 -2.596 347 H LEU 45 H LEU 45 -16.915 -2.468 0.765 348 HA LEU 45 HA LEU 45 -15.270 -0.415 -0.618 349 HB2 LEU 45 HB2 LEU 45 -16.078 -0.580 2.318 350 HB3 LEU 45 HB3 LEU 45 -15.272 0.763 1.517 351 HG LEU 45 HG LEU 45 -18.068 -0.231 0.847 352 HD11 LEU 45 HD11 LEU 45 -18.825 1.916 1.800 353 HD12 LEU 45 HD12 LEU 45 -17.173 2.213 2.402 354 HD13 LEU 45 HD13 LEU 45 -18.134 0.813 2.973 355 HD21 LEU 45 HD21 LEU 45 -16.428 2.036 -0.262 356 HD22 LEU 45 HD22 LEU 45 -18.193 1.840 -0.516 357 HD23 LEU 45 HD23 LEU 45 -17.082 0.601 -1.121 358 H ASN 46 H ASN 46 -13.244 0.154 0.548 359 HA ASN 46 HA ASN 46 -11.457 -2.141 0.694 360 HB2 ASN 46 HB2 ASN 46 -11.162 0.801 1.513 361 HB3 ASN 46 HB3 ASN 46 -9.844 -0.341 1.436 362 HD21 ASN 46 HD21 ASN 46 -10.107 2.165 -0.080 363 HD22 ASN 46 HD22 ASN 46 -10.283 1.798 -1.778 364 H ARG 47 H ARG 47 -10.582 -3.096 2.750 365 HA ARG 47 HA ARG 47 -12.146 -2.565 5.176 366 HB2 ARG 47 HB2 ARG 47 -9.920 -4.411 4.451 367 HB3 ARG 47 HB3 ARG 47 -10.154 -4.066 6.139 368 HG2 ARG 47 HG2 ARG 47 -12.455 -5.054 4.406 369 HG3 ARG 47 HG3 ARG 47 -11.213 -6.144 5.030 370 HD2 ARG 47 HD2 ARG 47 -12.702 -6.367 6.678 371 HD3 ARG 47 HD3 ARG 47 -11.747 -5.054 7.372 372 HE ARG 47 HE ARG 47 -13.867 -3.932 5.816 373 HH11 ARG 47 HH11 ARG 47 -13.618 -5.933 8.761 374 HH12 ARG 47 HH12 ARG 47 -14.993 -5.221 9.507 375 HH21 ARG 47 HH21 ARG 47 -15.788 -3.263 6.632 376 HH22 ARG 47 HH22 ARG 47 -16.335 -3.720 8.227 377 H GLY 48 H GLY 48 -8.975 -1.419 4.008 378 HA2 GLY 48 HA2 GLY 48 -8.712 0.944 5.215 379 HA3 GLY 48 HA3 GLY 48 -8.548 -0.071 6.633 380 H PHE 49 H PHE 49 -7.151 -2.084 4.618 381 HA PHE 49 HA PHE 49 -4.478 -0.845 4.608 382 HB2 PHE 49 HB2 PHE 49 -3.855 -3.332 5.300 383 HB3 PHE 49 HB3 PHE 49 -4.089 -2.027 6.454 384 HD1 PHE 49 HD1 PHE 49 -5.618 -5.094 5.003 385 HD2 PHE 49 HD2 PHE 49 -5.965 -2.014 8.009 386 HE1 PHE 49 HE1 PHE 49 -7.411 -6.382 6.130 387 HE2 PHE 49 HE2 PHE 49 -7.743 -3.318 9.130 388 HZ PHE 49 HZ PHE 49 -8.476 -5.501 8.186 389 H ALA 50 H ALA 50 -3.528 -0.997 2.661 390 HA ALA 50 HA ALA 50 -4.517 -2.965 0.659 391 HB1 ALA 50 HB1 ALA 50 -2.324 -1.203 -0.176 392 HB2 ALA 50 HB2 ALA 50 -3.891 -1.509 -0.926 393 HB3 ALA 50 HB3 ALA 50 -3.752 -0.305 0.358 394 H PHE 51 H PHE 51 -3.447 -4.832 0.309 395 HA PHE 51 HA PHE 51 -0.777 -5.261 1.523 396 HB2 PHE 51 HB2 PHE 51 -2.907 -7.077 0.411 397 HB3 PHE 51 HB3 PHE 51 -1.231 -7.597 0.479 398 HD1 PHE 51 HD1 PHE 51 -0.591 -8.857 2.319 399 HD2 PHE 51 HD2 PHE 51 -3.551 -5.775 2.787 400 HE1 PHE 51 HE1 PHE 51 -0.748 -9.399 4.725 401 HE2 PHE 51 HE2 PHE 51 -3.698 -6.314 5.246 402 HZ PHE 51 HZ PHE 51 -2.293 -8.127 6.196 403 H ILE 52 H ILE 52 0.650 -4.180 0.250 404 HA ILE 52 HA ILE 52 0.527 -4.477 -2.707 405 HB ILE 52 HB ILE 52 2.496 -2.975 -0.978 406 HG12 ILE 52 HG12 ILE 52 0.216 -2.043 -0.950 407 HG13 ILE 52 HG13 ILE 52 1.398 -0.973 -1.689 408 HG21 ILE 52 HG21 ILE 52 2.343 -3.079 -4.016 409 HG22 ILE 52 HG22 ILE 52 3.126 -1.766 -3.121 410 HG23 ILE 52 HG23 ILE 52 3.737 -3.393 -2.962 411 HD11 ILE 52 HD11 ILE 52 -0.774 -0.976 -2.890 412 HD12 ILE 52 HD12 ILE 52 0.532 -1.550 -3.936 413 HD13 ILE 52 HD13 ILE 52 -0.595 -2.701 -3.229 414 H GLN 53 H GLN 53 2.549 -5.184 -3.902 415 HA GLN 53 HA GLN 53 4.219 -7.124 -2.569 416 HB2 GLN 53 HB2 GLN 53 2.118 -7.836 -4.256 417 HB3 GLN 53 HB3 GLN 53 3.388 -7.455 -5.438 418 HG2 GLN 53 HG2 GLN 53 3.611 -9.746 -5.103 419 HG3 GLN 53 HG3 GLN 53 4.874 -8.984 -4.115 420 HE21 GLN 53 HE21 GLN 53 4.936 -9.855 -2.069 421 HE22 GLN 53 HE22 GLN 53 3.623 -10.415 -1.069 422 H LEU 54 H LEU 54 6.005 -5.921 -2.635 423 HA LEU 54 HA LEU 54 6.825 -3.965 -4.562 424 HB2 LEU 54 HB2 LEU 54 7.828 -5.262 -2.044 425 HB3 LEU 54 HB3 LEU 54 9.112 -4.945 -3.158 426 HG LEU 54 HG LEU 54 8.816 -3.142 -1.586 427 HD11 LEU 54 HD11 LEU 54 8.077 -2.226 -4.387 428 HD12 LEU 54 HD12 LEU 54 9.684 -2.748 -3.905 429 HD13 LEU 54 HD13 LEU 54 8.958 -1.318 -3.142 430 HD21 LEU 54 HD21 LEU 54 6.143 -2.525 -2.997 431 HD22 LEU 54 HD22 LEU 54 6.831 -1.728 -1.577 432 HD23 LEU 54 HD23 LEU 54 6.229 -3.420 -1.475 433 H SER 55 H SER 55 9.210 -4.303 -5.473 434 HA SER 55 HA SER 55 9.435 -6.424 -7.299 435 HB2 SER 55 HB2 SER 55 11.834 -5.026 -6.175 436 HB3 SER 55 HB3 SER 55 11.402 -5.343 -7.853 437 HG SER 55 HG SER 55 11.231 -3.106 -6.535 438 H THR 56 H THR 56 10.877 -5.883 -4.013 439 HA THR 56 HA THR 56 11.606 -8.704 -3.739 440 HB THR 56 HB THR 56 13.950 -7.012 -3.382 441 HG1 THR 56 HG1 THR 56 14.277 -6.282 -5.434 442 HG21 THR 56 HG21 THR 56 13.871 -9.521 -3.594 443 HG22 THR 56 HG22 THR 56 15.001 -8.761 -4.719 444 HG23 THR 56 HG23 THR 56 13.427 -9.294 -5.302 445 H ILE 57 H ILE 57 12.696 -9.137 -1.638 446 HA ILE 57 HA ILE 57 11.396 -8.020 0.507 447 HB ILE 57 HB ILE 57 12.896 -9.174 1.970 448 HG12 ILE 57 HG12 ILE 57 14.804 -10.594 0.591 449 HG13 ILE 57 HG13 ILE 57 14.872 -9.097 -0.309 450 HG21 ILE 57 HG21 ILE 57 11.324 -10.514 0.895 451 HG22 ILE 57 HG22 ILE 57 12.379 -10.798 -0.527 452 HG23 ILE 57 HG23 ILE 57 12.815 -11.444 1.041 453 HD11 ILE 57 HD11 ILE 57 15.239 -9.477 2.699 454 HD12 ILE 57 HD12 ILE 57 16.512 -9.134 1.512 455 HD13 ILE 57 HD13 ILE 57 15.304 -7.898 1.904 456 H VAL 58 H VAL 58 14.579 -7.095 -0.756 457 HA VAL 58 HA VAL 58 15.362 -5.325 1.267 458 HB VAL 58 HB VAL 58 15.921 -5.153 -1.735 459 HG11 VAL 58 HG11 VAL 58 16.614 -3.089 -0.557 460 HG12 VAL 58 HG12 VAL 58 17.481 -4.056 0.659 461 HG13 VAL 58 HG13 VAL 58 18.021 -4.033 -1.036 462 HG21 VAL 58 HG21 VAL 58 17.970 -6.432 -1.223 463 HG22 VAL 58 HG22 VAL 58 17.486 -6.560 0.482 464 HG23 VAL 58 HG23 VAL 58 16.549 -7.373 -0.773 465 H GLU 59 H GLU 59 13.214 -4.830 -1.587 466 HA GLU 59 HA GLU 59 13.109 -1.984 -1.058 467 HB2 GLU 59 HB2 GLU 59 11.641 -3.748 -3.057 468 HB3 GLU 59 HB3 GLU 59 11.587 -1.966 -2.998 469 HG2 GLU 59 HG2 GLU 59 14.116 -1.969 -3.097 470 HG3 GLU 59 HG3 GLU 59 14.049 -3.710 -3.396 471 H ALA 60 H ALA 60 11.531 -4.740 0.225 472 HA ALA 60 HA ALA 60 9.071 -3.314 0.887 473 HB1 ALA 60 HB1 ALA 60 9.078 -5.749 0.474 474 HB2 ALA 60 HB2 ALA 60 10.048 -5.974 1.953 475 HB3 ALA 60 HB3 ALA 60 8.395 -5.306 2.040 476 H ALA 61 H ALA 61 12.216 -3.532 2.211 477 HA ALA 61 HA ALA 61 11.291 -2.206 4.734 478 HB1 ALA 61 HB1 ALA 61 13.820 -3.685 3.959 479 HB2 ALA 61 HB2 ALA 61 13.841 -2.476 5.268 480 HB3 ALA 61 HB3 ALA 61 12.802 -3.895 5.390 481 H GLN 62 H GLN 62 14.032 -1.940 2.463 482 HA GLN 62 HA GLN 62 14.758 0.675 3.158 483 HB2 GLN 62 HB2 GLN 62 15.291 -0.996 0.681 484 HB3 GLN 62 HB3 GLN 62 15.862 0.645 0.827 485 HG2 GLN 62 HG2 GLN 62 17.580 -1.008 1.433 486 HG3 GLN 62 HG3 GLN 62 17.251 0.174 2.692 487 HE21 GLN 62 HE21 GLN 62 15.668 -3.033 1.892 488 HE22 GLN 62 HE22 GLN 62 15.940 -3.698 3.489 489 H LEU 63 H LEU 63 12.928 -0.289 0.131 490 HA LEU 63 HA LEU 63 12.332 2.357 -0.573 491 HB2 LEU 63 HB2 LEU 63 11.990 -0.201 -1.681 492 HB3 LEU 63 HB3 LEU 63 10.354 0.353 -1.435 493 HG LEU 63 HG LEU 63 11.613 2.601 -2.542 494 HD11 LEU 63 HD11 LEU 63 13.661 1.161 -2.817 495 HD12 LEU 63 HD12 LEU 63 13.077 1.814 -4.330 496 HD13 LEU 63 HD13 LEU 63 12.739 0.134 -3.937 497 HD21 LEU 63 HD21 LEU 63 10.305 0.411 -4.202 498 HD22 LEU 63 HD22 LEU 63 10.256 2.176 -4.461 499 HD23 LEU 63 HD23 LEU 63 9.383 1.476 -3.116 500 H LEU 64 H LEU 64 10.927 0.545 2.080 501 HA LEU 64 HA LEU 64 8.454 2.066 1.897 502 HB2 LEU 64 HB2 LEU 64 8.647 -0.418 2.210 503 HB3 LEU 64 HB3 LEU 64 9.356 -0.146 3.772 504 HG LEU 64 HG LEU 64 6.827 -0.694 3.411 505 HD11 LEU 64 HD11 LEU 64 7.941 -0.501 5.426 506 HD12 LEU 64 HD12 LEU 64 6.271 0.069 5.538 507 HD13 LEU 64 HD13 LEU 64 7.645 1.261 5.487 508 HD21 LEU 64 HD21 LEU 64 5.247 1.122 3.440 509 HD22 LEU 64 HD22 LEU 64 6.226 1.222 1.968 510 HD23 LEU 64 HD23 LEU 64 6.541 2.318 3.326 511 H GLN 65 H GLN 65 11.576 2.367 3.209 512 HA GLN 65 HA GLN 65 10.620 4.179 5.383 513 HB2 GLN 65 HB2 GLN 65 12.700 3.981 6.485 514 HB3 GLN 65 HB3 GLN 65 11.979 2.394 6.290 515 HG2 GLN 65 HG2 GLN 65 13.548 1.774 4.602 516 HG3 GLN 65 HG3 GLN 65 14.176 3.415 4.415 517 HE21 GLN 65 HE21 GLN 65 16.142 3.748 5.532 518 HE22 GLN 65 HE22 GLN 65 16.658 2.815 6.901 519 H ILE 66 H ILE 66 12.496 3.974 2.390 520 HA ILE 66 HA ILE 66 13.586 6.616 2.579 521 HB ILE 66 HB ILE 66 12.929 5.011 0.068 522 HG12 ILE 66 HG12 ILE 66 15.688 5.334 1.271 523 HG13 ILE 66 HG13 ILE 66 14.674 4.079 1.911 524 HG21 ILE 66 HG21 ILE 66 14.610 6.481 -1.022 525 HG22 ILE 66 HG22 ILE 66 13.245 7.413 -0.418 526 HG23 ILE 66 HG23 ILE 66 14.769 7.415 0.479 527 HD11 ILE 66 HD11 ILE 66 15.561 4.389 -1.001 528 HD12 ILE 66 HD12 ILE 66 16.069 3.145 0.149 529 HD13 ILE 66 HD13 ILE 66 14.405 3.163 -0.444 530 H LEU 67 H LEU 67 10.579 5.422 0.886 531 HA LEU 67 HA LEU 67 10.257 8.039 -0.136 532 HB2 LEU 67 HB2 LEU 67 8.025 6.016 -0.059 533 HB3 LEU 67 HB3 LEU 67 8.324 7.265 -1.260 534 HG LEU 67 HG LEU 67 9.975 4.773 -0.799 535 HD11 LEU 67 HD11 LEU 67 7.845 4.247 -1.780 536 HD12 LEU 67 HD12 LEU 67 9.093 4.055 -3.008 537 HD13 LEU 67 HD13 LEU 67 8.053 5.501 -3.022 538 HD21 LEU 67 HD21 LEU 67 10.429 6.885 -2.887 539 HD22 LEU 67 HD22 LEU 67 11.141 5.245 -2.904 540 HD23 LEU 67 HD23 LEU 67 11.518 6.353 -1.592 541 H GLN 68 H GLN 68 8.762 6.502 2.736 542 HA GLN 68 HA GLN 68 6.958 8.523 3.391 543 HB2 GLN 68 HB2 GLN 68 7.408 8.005 5.797 544 HB3 GLN 68 HB3 GLN 68 6.767 6.732 4.758 545 HG2 GLN 68 HG2 GLN 68 8.875 5.743 4.489 546 HG3 GLN 68 HG3 GLN 68 9.696 7.122 5.212 547 HE21 GLN 68 HE21 GLN 68 8.287 4.004 5.944 548 HE22 GLN 68 HE22 GLN 68 8.446 4.162 7.691 549 H ALA 69 H ALA 69 10.464 8.599 3.599 550 HA ALA 69 HA ALA 69 10.498 10.795 5.524 551 HB1 ALA 69 HB1 ALA 69 12.818 9.477 4.065 552 HB2 ALA 69 HB2 ALA 69 12.843 10.409 5.579 553 HB3 ALA 69 HB3 ALA 69 12.076 8.823 5.548 554 H LEU 70 H LEU 70 10.307 10.534 2.134 555 HA LEU 70 HA LEU 70 11.390 13.246 1.660 556 HB2 LEU 70 HB2 LEU 70 11.142 10.989 -0.362 557 HB3 LEU 70 HB3 LEU 70 12.018 12.500 -0.563 558 HG LEU 70 HG LEU 70 12.768 10.166 1.230 559 HD11 LEU 70 HD11 LEU 70 13.158 9.734 -1.127 560 HD12 LEU 70 HD12 LEU 70 14.683 9.880 -0.251 561 HD13 LEU 70 HD13 LEU 70 14.124 11.217 -1.272 562 HD21 LEU 70 HD21 LEU 70 14.876 11.327 1.714 563 HD22 LEU 70 HD22 LEU 70 13.492 12.217 2.326 564 HD23 LEU 70 HD23 LEU 70 14.302 12.769 0.849 565 H HIS 71 H HIS 71 10.369 14.064 -0.507 566 HA HIS 71 HA HIS 71 8.601 14.924 -1.589 567 HB2 HIS 71 HB2 HIS 71 7.643 12.108 -1.161 568 HB3 HIS 71 HB3 HIS 71 6.480 13.273 -1.702 569 HD1 HIS 71 HD1 HIS 71 10.011 13.807 -3.065 570 HD2 HIS 71 HD2 HIS 71 6.349 11.960 -4.089 571 HE1 HIS 71 HE1 HIS 71 10.123 13.301 -5.535 572 HA PRO 72 HA PRO 72 5.802 16.835 1.357 573 HB2 PRO 72 HB2 PRO 72 3.368 16.994 0.064 574 HB3 PRO 72 HB3 PRO 72 4.735 18.089 -0.282 575 HG2 PRO 72 HG2 PRO 72 3.949 15.543 -1.753 576 HG3 PRO 72 HG3 PRO 72 4.316 17.150 -2.454 577 HD2 PRO 72 HD2 PRO 72 6.199 15.247 -2.396 578 HD3 PRO 72 HD3 PRO 72 6.622 16.933 -2.005 579 HA PRO 73 HA PRO 73 3.818 13.278 3.163 580 HB2 PRO 73 HB2 PRO 73 1.768 14.346 4.662 581 HB3 PRO 73 HB3 PRO 73 3.500 14.454 5.108 582 HG2 PRO 73 HG2 PRO 73 1.818 16.506 3.655 583 HG3 PRO 73 HG3 PRO 73 2.907 16.776 5.048 584 HD2 PRO 73 HD2 PRO 73 3.681 17.286 2.499 585 HD3 PRO 73 HD3 PRO 73 4.828 16.578 3.669 586 H LEU 74 H LEU 74 2.890 11.960 1.723 587 HA LEU 74 HA LEU 74 1.006 12.470 -0.221 588 HB2 LEU 74 HB2 LEU 74 2.458 10.286 0.632 589 HB3 LEU 74 HB3 LEU 74 0.870 9.816 1.190 590 HG LEU 74 HG LEU 74 1.762 10.433 -1.650 591 HD11 LEU 74 HD11 LEU 74 1.162 8.079 -2.033 592 HD12 LEU 74 HD12 LEU 74 0.636 7.918 -0.345 593 HD13 LEU 74 HD13 LEU 74 2.337 8.237 -0.724 594 HD21 LEU 74 HD21 LEU 74 -1.067 9.848 -0.668 595 HD22 LEU 74 HD22 LEU 74 -0.525 9.793 -2.369 596 HD23 LEU 74 HD23 LEU 74 -0.492 11.317 -1.513 597 H THR 75 H THR 75 -1.112 13.119 -0.094 598 HA THR 75 HA THR 75 -2.757 11.476 1.688 599 HB THR 75 HB THR 75 -4.373 13.595 1.661 600 HG1 THR 75 HG1 THR 75 -2.818 15.003 0.623 601 HG21 THR 75 HG21 THR 75 -3.596 12.419 3.693 602 HG22 THR 75 HG22 THR 75 -3.651 14.167 3.929 603 HG23 THR 75 HG23 THR 75 -2.090 13.372 3.656 604 H ILE 76 H ILE 76 -3.885 10.333 0.398 605 HA ILE 76 HA ILE 76 -5.165 11.585 -1.994 606 HB ILE 76 HB ILE 76 -4.667 8.714 -1.466 607 HG12 ILE 76 HG12 ILE 76 -3.768 10.117 -3.937 608 HG13 ILE 76 HG13 ILE 76 -2.845 10.307 -2.466 609 HG21 ILE 76 HG21 ILE 76 -6.912 8.736 -2.409 610 HG22 ILE 76 HG22 ILE 76 -6.376 9.822 -3.709 611 HG23 ILE 76 HG23 ILE 76 -5.782 8.156 -3.643 612 HD11 ILE 76 HD11 ILE 76 -2.572 7.855 -2.287 613 HD12 ILE 76 HD12 ILE 76 -3.509 7.677 -3.799 614 HD13 ILE 76 HD13 ILE 76 -1.940 8.505 -3.813 615 H ASP 77 H ASP 77 -6.991 12.373 -1.493 616 HA ASP 77 HA ASP 77 -8.813 12.979 -0.414 617 HB2 ASP 77 HB2 ASP 77 -9.348 11.042 -2.011 618 HB3 ASP 77 HB3 ASP 77 -9.682 10.107 -0.588 619 H GLY 78 H GLY 78 -6.889 12.465 1.523 620 HA2 GLY 78 HA2 GLY 78 -7.316 13.446 3.638 621 HA3 GLY 78 HA3 GLY 78 -8.853 12.571 3.728 622 H LYS 79 H LYS 79 -6.376 10.555 2.676 623 HA LYS 79 HA LYS 79 -5.654 9.705 5.450 624 HB2 LYS 79 HB2 LYS 79 -5.467 7.402 4.397 625 HB3 LYS 79 HB3 LYS 79 -7.029 8.062 4.848 626 HG2 LYS 79 HG2 LYS 79 -7.596 7.116 2.938 627 HG3 LYS 79 HG3 LYS 79 -7.311 8.694 2.317 628 HD2 LYS 79 HD2 LYS 79 -5.043 7.929 1.548 629 HD3 LYS 79 HD3 LYS 79 -5.359 6.328 2.246 630 HE2 LYS 79 HE2 LYS 79 -7.082 5.904 0.610 631 HE3 LYS 79 HE3 LYS 79 -7.091 7.592 0.111 632 HZ1 LYS 79 HZ1 LYS 79 -5.915 6.323 -1.491 633 HZ2 LYS 79 HZ2 LYS 79 -4.914 5.663 -0.354 634 HZ3 LYS 79 HZ3 LYS 79 -4.841 7.269 -0.691 635 H THR 80 H THR 80 -3.617 10.065 5.928 636 HA THR 80 HA THR 80 -1.576 10.110 3.863 637 HB THR 80 HB THR 80 -1.229 10.046 6.879 638 HG1 THR 80 HG1 THR 80 -1.548 12.294 5.177 639 HG21 THR 80 HG21 THR 80 0.828 9.645 5.471 640 HG22 THR 80 HG22 THR 80 0.917 11.049 6.523 641 HG23 THR 80 HG23 THR 80 0.617 11.269 4.788 642 H ILE 81 H ILE 81 -1.166 8.226 2.946 643 HA ILE 81 HA ILE 81 -1.621 5.630 3.988 644 HB ILE 81 HB ILE 81 0.599 6.413 2.044 645 HG12 ILE 81 HG12 ILE 81 -1.495 7.367 1.192 646 HG13 ILE 81 HG13 ILE 81 -1.032 5.966 0.242 647 HG21 ILE 81 HG21 ILE 81 0.005 4.016 1.241 648 HG22 ILE 81 HG22 ILE 81 0.916 4.185 2.747 649 HG23 ILE 81 HG23 ILE 81 -0.819 3.854 2.833 650 HD11 ILE 81 HD11 ILE 81 -2.616 4.568 1.597 651 HD12 ILE 81 HD12 ILE 81 -3.174 6.056 2.386 652 HD13 ILE 81 HD13 ILE 81 -3.366 5.836 0.631 653 H ASN 82 H ASN 82 -0.950 4.651 5.698 654 HA ASN 82 HA ASN 82 1.489 5.242 7.101 655 HB2 ASN 82 HB2 ASN 82 -0.904 4.123 7.782 656 HB3 ASN 82 HB3 ASN 82 0.026 2.653 7.501 657 HD21 ASN 82 HD21 ASN 82 -1.092 3.964 10.049 658 HD22 ASN 82 HD22 ASN 82 0.301 3.967 11.073 659 H VAL 83 H VAL 83 3.007 3.438 7.648 660 HA VAL 83 HA VAL 83 3.858 1.940 5.251 661 HB VAL 83 HB VAL 83 6.119 2.866 5.968 662 HG11 VAL 83 HG11 VAL 83 4.145 5.047 5.222 663 HG12 VAL 83 HG12 VAL 83 5.839 4.829 4.734 664 HG13 VAL 83 HG13 VAL 83 4.606 3.748 4.103 665 HG21 VAL 83 HG21 VAL 83 4.413 4.710 7.742 666 HG22 VAL 83 HG22 VAL 83 5.703 3.613 8.268 667 HG23 VAL 83 HG23 VAL 83 6.052 5.038 7.274 668 H GLU 84 H GLU 84 2.478 0.376 6.774 669 HA GLU 84 HA GLU 84 4.276 -0.733 8.870 670 HB2 GLU 84 HB2 GLU 84 1.342 -1.228 8.234 671 HB3 GLU 84 HB3 GLU 84 2.212 -2.099 9.485 672 HG2 GLU 84 HG2 GLU 84 1.880 0.939 9.440 673 HG3 GLU 84 HG3 GLU 84 0.764 -0.138 10.227 674 H PHE 85 H PHE 85 5.110 -2.815 8.816 675 HA PHE 85 HA PHE 85 5.312 -4.099 6.215 676 HB2 PHE 85 HB2 PHE 85 6.548 -4.332 8.882 677 HB3 PHE 85 HB3 PHE 85 6.213 -5.901 8.202 678 HD1 PHE 85 HD1 PHE 85 8.833 -3.889 8.651 679 HD2 PHE 85 HD2 PHE 85 6.769 -5.776 5.331 680 HE1 PHE 85 HE1 PHE 85 10.921 -3.903 7.329 681 HE2 PHE 85 HE2 PHE 85 8.858 -5.898 4.117 682 HZ PHE 85 HZ PHE 85 10.922 -4.951 5.035 683 H ALA 86 H ALA 86 4.598 -6.305 5.675 684 HA ALA 86 HA ALA 86 2.070 -7.103 6.880 685 HB1 ALA 86 HB1 ALA 86 2.365 -7.127 4.440 686 HB2 ALA 86 HB2 ALA 86 3.731 -8.255 4.616 687 HB3 ALA 86 HB3 ALA 86 2.088 -8.770 5.053 688 H LYS 87 H LYS 87 1.758 -8.646 8.311 689 HA LYS 87 HA LYS 87 3.820 -10.586 9.145 690 HB2 LYS 87 HB2 LYS 87 1.153 -9.688 10.121 691 HB3 LYS 87 HB3 LYS 87 1.274 -11.423 10.048 692 HG2 LYS 87 HG2 LYS 87 1.924 -10.957 12.166 693 HG3 LYS 87 HG3 LYS 87 3.428 -11.308 11.355 694 HD2 LYS 87 HD2 LYS 87 2.559 -8.422 11.537 695 HD3 LYS 87 HD3 LYS 87 3.047 -9.210 13.028 696 HE2 LYS 87 HE2 LYS 87 4.800 -8.955 10.533 697 HE3 LYS 87 HE3 LYS 87 4.884 -7.975 12.001 698 HZ1 LYS 87 HZ1 LYS 87 6.486 -9.561 12.316 699 HZ2 LYS 87 HZ2 LYS 87 5.640 -10.785 11.692 700 HZ3 LYS 87 HZ3 LYS 87 5.239 -10.196 13.183 701 H GLY 88 H GLY 88 2.629 -13.012 9.169 702 HA2 GLY 88 HA2 GLY 88 0.707 -13.904 7.791 703 HA3 GLY 88 HA3 GLY 88 1.719 -13.603 6.391 704 H SER 89 H SER 89 3.953 -14.556 8.631 705 HA SER 89 HA SER 89 3.684 -17.440 7.873 706 HB2 SER 89 HB2 SER 89 5.744 -16.098 6.991 707 HB3 SER 89 HB3 SER 89 6.279 -16.072 8.677 708 HG SER 89 HG SER 89 6.112 -18.197 6.840 Start of MODEL 20 1 H1 GLY 1 H GLY 1 0.629 -11.999 2.836 2 HA2 GLY 1 HA2 GLY 1 2.120 -10.746 0.598 3 HA3 GLY 1 HA3 GLY 1 1.831 -9.939 2.161 4 H HIS 2 H HIS 2 4.432 -10.035 1.623 5 HA HIS 2 HA HIS 2 5.488 -12.123 3.334 6 HB2 HIS 2 HB2 HIS 2 6.928 -11.510 0.805 7 HB3 HIS 2 HB3 HIS 2 7.049 -12.956 1.763 8 HD1 HIS 2 HD1 HIS 2 5.558 -11.599 -1.276 9 HD2 HIS 2 HD2 HIS 2 4.639 -14.644 1.486 10 HE1 HIS 2 HE1 HIS 2 3.808 -13.144 -2.414 11 H MET 3 H MET 3 8.113 -11.724 3.250 12 HA MET 3 HA MET 3 8.695 -9.259 4.501 13 HB2 MET 3 HB2 MET 3 11.049 -9.807 3.954 14 HB3 MET 3 HB3 MET 3 10.189 -11.108 4.761 15 HG2 MET 3 HG2 MET 3 10.638 -11.012 1.762 16 HG3 MET 3 HG3 MET 3 11.742 -11.781 2.898 17 HE1 MET 3 HE1 MET 3 10.175 -14.860 1.007 18 HE2 MET 3 HE2 MET 3 10.451 -13.262 0.294 19 HE3 MET 3 HE3 MET 3 11.663 -13.984 1.387 20 H ASP 4 H ASP 4 8.526 -10.172 1.095 21 HA ASP 4 HA ASP 4 9.446 -7.661 -0.013 22 HB2 ASP 4 HB2 ASP 4 8.600 -8.512 -2.123 23 HB3 ASP 4 HB3 ASP 4 9.626 -9.686 -1.302 24 H THR 5 H THR 5 6.486 -8.535 1.525 25 HA THR 5 HA THR 5 5.030 -6.510 -0.104 26 HB THR 5 HB THR 5 3.728 -8.530 1.663 27 HG1 THR 5 HG1 THR 5 5.036 -9.141 -0.528 28 HG21 THR 5 HG21 THR 5 2.264 -6.658 0.997 29 HG22 THR 5 HG22 THR 5 1.756 -8.193 0.280 30 HG23 THR 5 HG23 THR 5 2.616 -7.018 -0.708 31 H ILE 6 H ILE 6 4.096 -4.824 0.773 32 HA ILE 6 HA ILE 6 4.660 -4.094 3.592 33 HB ILE 6 HB ILE 6 4.403 -2.463 1.061 34 HG12 ILE 6 HG12 ILE 6 6.972 -2.756 2.664 35 HG13 ILE 6 HG13 ILE 6 6.569 -3.941 1.455 36 HG21 ILE 6 HG21 ILE 6 5.123 -0.504 2.203 37 HG22 ILE 6 HG22 ILE 6 3.749 -1.139 3.107 38 HG23 ILE 6 HG23 ILE 6 5.402 -1.380 3.709 39 HD11 ILE 6 HD11 ILE 6 7.916 -2.469 0.372 40 HD12 ILE 6 HD12 ILE 6 6.289 -2.107 -0.228 41 HD13 ILE 6 HD13 ILE 6 7.058 -1.016 0.962 42 H ILE 7 H ILE 7 3.016 -2.886 4.634 43 HA ILE 7 HA ILE 7 0.308 -3.267 3.596 44 HB ILE 7 HB ILE 7 1.188 -3.336 6.458 45 HG12 ILE 7 HG12 ILE 7 0.090 -5.391 4.533 46 HG13 ILE 7 HG13 ILE 7 1.586 -5.399 5.437 47 HG21 ILE 7 HG21 ILE 7 -1.100 -3.536 7.134 48 HG22 ILE 7 HG22 ILE 7 -0.819 -1.989 6.357 49 HG23 ILE 7 HG23 ILE 7 -1.668 -3.277 5.451 50 HD11 ILE 7 HD11 ILE 7 0.001 -6.997 6.411 51 HD12 ILE 7 HD12 ILE 7 0.257 -5.665 7.562 52 HD13 ILE 7 HD13 ILE 7 -1.224 -5.749 6.579 53 H LEU 8 H LEU 8 -0.919 -1.653 3.379 54 HA LEU 8 HA LEU 8 0.086 1.111 3.959 55 HB2 LEU 8 HB2 LEU 8 -1.736 -0.044 1.779 56 HB3 LEU 8 HB3 LEU 8 -1.609 1.616 2.123 57 HG LEU 8 HG LEU 8 0.737 1.746 1.593 58 HD11 LEU 8 HD11 LEU 8 1.867 -0.142 0.386 59 HD12 LEU 8 HD12 LEU 8 0.588 -1.226 1.018 60 HD13 LEU 8 HD13 LEU 8 1.687 -0.350 2.100 61 HD21 LEU 8 HD21 LEU 8 -0.931 0.431 -0.597 62 HD22 LEU 8 HD22 LEU 8 0.450 1.493 -0.838 63 HD23 LEU 8 HD23 LEU 8 -1.008 2.133 -0.103 64 H ARG 9 H ARG 9 -0.881 0.954 6.212 65 HA ARG 9 HA ARG 9 -3.669 0.351 6.519 66 HB2 ARG 9 HB2 ARG 9 -1.566 0.717 8.310 67 HB3 ARG 9 HB3 ARG 9 -2.400 2.274 8.424 68 HG2 ARG 9 HG2 ARG 9 -4.582 0.787 8.610 69 HG3 ARG 9 HG3 ARG 9 -3.412 -0.482 8.971 70 HD2 ARG 9 HD2 ARG 9 -2.622 0.712 10.922 71 HD3 ARG 9 HD3 ARG 9 -3.553 2.162 10.465 72 HE ARG 9 HE ARG 9 -5.259 -0.150 10.695 73 HH11 ARG 9 HH11 ARG 9 -3.443 2.040 12.790 74 HH12 ARG 9 HH12 ARG 9 -4.534 1.980 14.119 75 HH21 ARG 9 HH21 ARG 9 -6.848 -0.118 12.328 76 HH22 ARG 9 HH22 ARG 9 -6.566 0.676 13.845 77 H ASN 10 H ASN 10 -5.093 2.224 7.606 78 HA ASN 10 HA ASN 10 -6.183 4.178 7.506 79 HB2 ASN 10 HB2 ASN 10 -3.349 4.850 7.351 80 HB3 ASN 10 HB3 ASN 10 -4.271 5.994 6.373 81 HD21 ASN 10 HD21 ASN 10 -2.757 6.531 8.523 82 HD22 ASN 10 HD22 ASN 10 -3.752 7.135 9.860 83 H LEU 11 H LEU 11 -5.903 2.399 5.060 84 HA LEU 11 HA LEU 11 -5.757 4.141 2.793 85 HB2 LEU 11 HB2 LEU 11 -5.156 1.559 3.278 86 HB3 LEU 11 HB3 LEU 11 -6.778 1.313 2.729 87 HG LEU 11 HG LEU 11 -5.233 0.927 0.981 88 HD11 LEU 11 HD11 LEU 11 -7.529 2.206 0.587 89 HD12 LEU 11 HD12 LEU 11 -6.375 2.094 -0.739 90 HD13 LEU 11 HD13 LEU 11 -6.511 3.592 0.221 91 HD21 LEU 11 HD21 LEU 11 -4.293 3.730 0.706 92 HD22 LEU 11 HD22 LEU 11 -3.661 2.228 0.035 93 HD23 LEU 11 HD23 LEU 11 -3.474 2.551 1.761 94 H ASN 12 H ASN 12 -7.382 5.571 2.840 95 HA ASN 12 HA ASN 12 -9.841 5.320 3.816 96 HB2 ASN 12 HB2 ASN 12 -10.637 7.242 2.379 97 HB3 ASN 12 HB3 ASN 12 -9.221 7.470 3.368 98 HD21 ASN 12 HD21 ASN 12 -10.389 8.505 0.502 99 HD22 ASN 12 HD22 ASN 12 -8.900 8.630 -0.348 100 HA PRO 13 HA PRO 13 -12.343 2.695 1.444 101 HB2 PRO 13 HB2 PRO 13 -14.878 3.740 1.827 102 HB3 PRO 13 HB3 PRO 13 -13.974 2.782 3.043 103 HG2 PRO 13 HG2 PRO 13 -14.234 5.790 2.817 104 HG3 PRO 13 HG3 PRO 13 -14.362 4.768 4.287 105 HD2 PRO 13 HD2 PRO 13 -12.081 6.094 3.677 106 HD3 PRO 13 HD3 PRO 13 -12.010 4.447 4.359 107 H HIS 14 H HIS 14 -12.549 6.140 0.885 108 HA HIS 14 HA HIS 14 -13.785 5.905 -1.764 109 HB2 HIS 14 HB2 HIS 14 -12.700 8.286 -0.214 110 HB3 HIS 14 HB3 HIS 14 -13.603 8.366 -1.721 111 HD1 HIS 14 HD1 HIS 14 -14.958 9.967 0.386 112 HD2 HIS 14 HD2 HIS 14 -15.421 5.772 0.163 113 HE1 HIS 14 HE1 HIS 14 -17.191 9.397 1.503 114 H SER 15 H SER 15 -10.518 5.800 -0.500 115 HA SER 15 HA SER 15 -9.103 7.301 -2.236 116 HB2 SER 15 HB2 SER 15 -8.495 5.592 -0.253 117 HB3 SER 15 HB3 SER 15 -8.080 4.559 -1.583 118 HG SER 15 HG SER 15 -6.837 6.741 -0.512 119 H THR 16 H THR 16 -7.885 6.995 -4.118 120 HA THR 16 HA THR 16 -9.162 5.269 -6.133 121 HB THR 16 HB THR 16 -7.753 7.061 -7.534 122 HG1 THR 16 HG1 THR 16 -8.604 8.796 -5.525 123 HG21 THR 16 HG21 THR 16 -10.176 6.708 -7.687 124 HG22 THR 16 HG22 THR 16 -9.794 8.434 -7.681 125 HG23 THR 16 HG23 THR 16 -10.427 7.654 -6.203 126 H MET 17 H MET 17 -8.071 3.480 -6.505 127 HA MET 17 HA MET 17 -5.650 2.573 -5.644 128 HB2 MET 17 HB2 MET 17 -7.379 1.365 -6.839 129 HB3 MET 17 HB3 MET 17 -6.825 2.218 -8.354 130 HG2 MET 17 HG2 MET 17 -6.089 0.076 -8.585 131 HG3 MET 17 HG3 MET 17 -4.711 1.032 -8.112 132 HE1 MET 17 HE1 MET 17 -7.076 -1.987 -5.429 133 HE2 MET 17 HE2 MET 17 -7.831 -0.505 -5.984 134 HE3 MET 17 HE3 MET 17 -7.345 -1.746 -7.172 135 H ASP 18 H ASP 18 -6.058 3.966 -8.960 136 HA ASP 18 HA ASP 18 -3.372 3.888 -9.534 137 HB2 ASP 18 HB2 ASP 18 -5.665 4.740 -10.869 138 HB3 ASP 18 HB3 ASP 18 -4.628 6.161 -10.831 139 H SER 19 H SER 19 -4.859 6.233 -7.444 140 HA SER 19 HA SER 19 -2.671 8.152 -7.476 141 HB2 SER 19 HB2 SER 19 -4.699 7.764 -5.256 142 HB3 SER 19 HB3 SER 19 -3.813 9.222 -5.703 143 HG SER 19 HG SER 19 -6.205 8.506 -6.446 144 H ILE 20 H ILE 20 -3.862 5.643 -5.215 145 HA ILE 20 HA ILE 20 -1.781 5.465 -3.325 146 HB ILE 20 HB ILE 20 -3.550 3.274 -4.428 147 HG12 ILE 20 HG12 ILE 20 -4.091 4.820 -1.874 148 HG13 ILE 20 HG13 ILE 20 -4.684 5.441 -3.399 149 HG21 ILE 20 HG21 ILE 20 -3.204 2.092 -2.366 150 HG22 ILE 20 HG22 ILE 20 -1.647 2.396 -3.107 151 HG23 ILE 20 HG23 ILE 20 -2.165 3.410 -1.736 152 HD11 ILE 20 HD11 ILE 20 -5.275 2.557 -2.670 153 HD12 ILE 20 HD12 ILE 20 -6.232 3.910 -2.084 154 HD13 ILE 20 HD13 ILE 20 -6.102 3.631 -3.815 155 H LEU 21 H LEU 21 -2.100 3.343 -6.492 156 HA LEU 21 HA LEU 21 0.145 2.045 -6.388 157 HB2 LEU 21 HB2 LEU 21 -1.483 3.463 -8.509 158 HB3 LEU 21 HB3 LEU 21 0.015 2.665 -8.993 159 HG LEU 21 HG LEU 21 -0.603 0.660 -8.118 160 HD11 LEU 21 HD11 LEU 21 -1.711 0.820 -6.141 161 HD12 LEU 21 HD12 LEU 21 -2.722 -0.098 -7.267 162 HD13 LEU 21 HD13 LEU 21 -3.123 1.565 -6.884 163 HD21 LEU 21 HD21 LEU 21 -2.503 0.016 -9.575 164 HD22 LEU 21 HD22 LEU 21 -1.462 1.199 -10.389 165 HD23 LEU 21 HD23 LEU 21 -3.012 1.704 -9.661 166 H GLY 22 H GLY 22 0.242 5.292 -8.083 167 HA2 GLY 22 HA2 GLY 22 3.105 5.088 -8.238 168 HA3 GLY 22 HA3 GLY 22 2.166 6.555 -8.500 169 H ALA 23 H ALA 23 0.925 6.416 -5.759 170 HA ALA 23 HA ALA 23 2.887 7.953 -4.355 171 HB1 ALA 23 HB1 ALA 23 0.415 8.272 -4.159 172 HB2 ALA 23 HB2 ALA 23 0.308 6.701 -3.330 173 HB3 ALA 23 HB3 ALA 23 1.220 8.028 -2.598 174 H LEU 24 H LEU 24 2.229 4.479 -4.323 175 HA LEU 24 HA LEU 24 4.316 4.238 -2.219 176 HB2 LEU 24 HB2 LEU 24 1.698 3.755 -1.693 177 HB3 LEU 24 HB3 LEU 24 2.178 2.173 -2.275 178 HG LEU 24 HG LEU 24 2.294 2.326 0.139 179 HD11 LEU 24 HD11 LEU 24 4.436 1.531 0.732 180 HD12 LEU 24 HD12 LEU 24 5.178 2.231 -0.717 181 HD13 LEU 24 HD13 LEU 24 4.019 0.884 -0.855 182 HD21 LEU 24 HD21 LEU 24 3.877 3.794 1.339 183 HD22 LEU 24 HD22 LEU 24 2.541 4.627 0.552 184 HD23 LEU 24 HD23 LEU 24 4.154 4.692 -0.154 185 H ALA 25 H ALA 25 4.038 3.835 -5.350 186 HA ALA 25 HA ALA 25 6.195 1.888 -5.303 187 HB1 ALA 25 HB1 ALA 25 3.624 1.325 -6.807 188 HB2 ALA 25 HB2 ALA 25 5.159 0.507 -7.125 189 HB3 ALA 25 HB3 ALA 25 4.382 0.323 -5.542 190 HA PRO 26 HA PRO 26 6.731 5.222 -8.475 191 HB2 PRO 26 HB2 PRO 26 9.053 6.248 -7.380 192 HB3 PRO 26 HB3 PRO 26 7.417 6.946 -7.201 193 HG2 PRO 26 HG2 PRO 26 8.965 5.268 -5.275 194 HG3 PRO 26 HG3 PRO 26 7.808 6.591 -4.942 195 HD2 PRO 26 HD2 PRO 26 7.238 3.874 -4.714 196 HD3 PRO 26 HD3 PRO 26 6.024 5.154 -5.018 197 H TYR 27 H TYR 27 8.488 2.629 -6.978 198 HA TYR 27 HA TYR 27 10.241 2.389 -9.379 199 HB2 TYR 27 HB2 TYR 27 11.040 1.858 -6.497 200 HB3 TYR 27 HB3 TYR 27 12.056 1.821 -7.903 201 HD1 TYR 27 HD1 TYR 27 10.914 3.805 -5.181 202 HD2 TYR 27 HD2 TYR 27 12.037 4.172 -9.315 203 HE1 TYR 27 HE1 TYR 27 11.336 6.179 -4.821 204 HE2 TYR 27 HE2 TYR 27 12.311 6.630 -8.999 205 HH TYR 27 HH TYR 27 12.684 8.312 -6.407 206 H ALA 28 H ALA 28 8.414 0.741 -6.853 207 HA ALA 28 HA ALA 28 9.126 -1.940 -7.637 208 HB1 ALA 28 HB1 ALA 28 7.220 -2.639 -6.308 209 HB2 ALA 28 HB2 ALA 28 8.101 -1.384 -5.432 210 HB3 ALA 28 HB3 ALA 28 6.579 -0.990 -6.257 211 H VAL 29 H VAL 29 8.468 -3.029 -9.379 212 HA VAL 29 HA VAL 29 7.104 -1.479 -11.453 213 HB VAL 29 HB VAL 29 8.508 -4.161 -11.781 214 HG11 VAL 29 HG11 VAL 29 8.833 -3.350 -14.070 215 HG12 VAL 29 HG12 VAL 29 7.116 -3.236 -13.660 216 HG13 VAL 29 HG13 VAL 29 8.115 -1.777 -13.647 217 HG21 VAL 29 HG21 VAL 29 10.553 -2.851 -12.416 218 HG22 VAL 29 HG22 VAL 29 9.779 -1.391 -11.759 219 HG23 VAL 29 HG23 VAL 29 10.185 -2.752 -10.698 220 H LEU 30 H LEU 30 5.129 -1.778 -10.119 221 HA LEU 30 HA LEU 30 3.709 -4.366 -10.626 222 HB2 LEU 30 HB2 LEU 30 2.508 -2.340 -8.826 223 HB3 LEU 30 HB3 LEU 30 2.402 -4.077 -8.768 224 HG LEU 30 HG LEU 30 4.811 -2.383 -7.931 225 HD11 LEU 30 HD11 LEU 30 2.860 -2.042 -6.498 226 HD12 LEU 30 HD12 LEU 30 4.189 -2.869 -5.667 227 HD13 LEU 30 HD13 LEU 30 2.764 -3.796 -6.189 228 HD21 LEU 30 HD21 LEU 30 4.431 -5.277 -7.119 229 HD22 LEU 30 HD22 LEU 30 5.867 -4.292 -7.108 230 HD23 LEU 30 HD23 LEU 30 5.275 -4.861 -8.657 231 H SER 31 H SER 31 1.090 -3.635 -10.607 232 HA SER 31 HA SER 31 0.641 -1.321 -12.320 233 HB2 SER 31 HB2 SER 31 1.397 -2.814 -14.035 234 HB3 SER 31 HB3 SER 31 0.448 -4.159 -13.382 235 HG SER 31 HG SER 31 -0.443 -1.863 -14.793 236 H SER 32 H SER 32 -0.837 -4.380 -11.073 237 HA SER 32 HA SER 32 -3.051 -2.926 -9.876 238 HB2 SER 32 HB2 SER 32 -4.475 -4.612 -11.577 239 HB3 SER 32 HB3 SER 32 -4.436 -2.840 -11.613 240 HG SER 32 HG SER 32 -3.016 -2.869 -13.259 241 H SER 33 H SER 33 -2.143 -6.257 -11.147 242 HA SER 33 HA SER 33 -3.953 -7.616 -9.421 243 HB2 SER 33 HB2 SER 33 -1.496 -8.541 -10.735 244 HB3 SER 33 HB3 SER 33 -2.598 -9.617 -9.868 245 HG SER 33 HG SER 33 -3.485 -9.763 -11.738 246 H ASN 34 H ASN 34 -0.691 -6.476 -8.972 247 HA ASN 34 HA ASN 34 -0.135 -8.066 -6.566 248 HB2 ASN 34 HB2 ASN 34 1.196 -5.634 -7.796 249 HB3 ASN 34 HB3 ASN 34 1.707 -6.278 -6.237 250 HD21 ASN 34 HD21 ASN 34 3.397 -6.113 -8.497 251 HD22 ASN 34 HD22 ASN 34 3.876 -7.748 -8.850 252 H VAL 35 H VAL 35 -1.911 -5.190 -7.158 253 HA VAL 35 HA VAL 35 -1.629 -4.239 -4.375 254 HB VAL 35 HB VAL 35 -3.063 -2.990 -6.751 255 HG11 VAL 35 HG11 VAL 35 -2.912 -0.919 -5.210 256 HG12 VAL 35 HG12 VAL 35 -4.006 -2.171 -4.680 257 HG13 VAL 35 HG13 VAL 35 -2.443 -2.041 -3.909 258 HG21 VAL 35 HG21 VAL 35 -0.221 -2.700 -5.706 259 HG22 VAL 35 HG22 VAL 35 -0.778 -3.001 -7.355 260 HG23 VAL 35 HG23 VAL 35 -0.995 -1.422 -6.642 261 H ARG 36 H ARG 36 -3.289 -4.430 -2.907 262 HA ARG 36 HA ARG 36 -6.025 -4.837 -3.847 263 HB2 ARG 36 HB2 ARG 36 -4.727 -7.181 -3.590 264 HB3 ARG 36 HB3 ARG 36 -4.853 -6.857 -1.878 265 HG2 ARG 36 HG2 ARG 36 -6.649 -8.323 -2.722 266 HG3 ARG 36 HG3 ARG 36 -7.273 -6.824 -2.002 267 HD2 ARG 36 HD2 ARG 36 -8.400 -7.568 -4.191 268 HD3 ARG 36 HD3 ARG 36 -7.842 -5.924 -4.156 269 HE ARG 36 HE ARG 36 -5.911 -6.484 -5.451 270 HH11 ARG 36 HH11 ARG 36 -8.301 -9.143 -5.422 271 HH12 ARG 36 HH12 ARG 36 -7.775 -9.747 -6.964 272 HH21 ARG 36 HH21 ARG 36 -5.154 -7.378 -7.344 273 HH22 ARG 36 HH22 ARG 36 -6.050 -8.636 -8.139 274 H VAL 37 H VAL 37 -7.380 -3.728 -2.391 275 HA VAL 37 HA VAL 37 -6.250 -3.226 0.306 276 HB VAL 37 HB VAL 37 -8.479 -1.596 -0.793 277 HG11 VAL 37 HG11 VAL 37 -6.117 -1.054 1.036 278 HG12 VAL 37 HG12 VAL 37 -7.414 0.079 0.680 279 HG13 VAL 37 HG13 VAL 37 -7.755 -1.387 1.592 280 HG21 VAL 37 HG21 VAL 37 -5.611 -0.756 -1.351 281 HG22 VAL 37 HG22 VAL 37 -6.707 -1.369 -2.596 282 HG23 VAL 37 HG23 VAL 37 -7.129 0.105 -1.731 283 H ILE 38 H ILE 38 -7.509 -5.667 -0.399 284 HA ILE 38 HA ILE 38 -9.241 -7.090 0.126 285 HB ILE 38 HB ILE 38 -8.937 -5.643 2.774 286 HG12 ILE 38 HG12 ILE 38 -6.697 -6.017 2.114 287 HG13 ILE 38 HG13 ILE 38 -7.103 -7.234 3.295 288 HG21 ILE 38 HG21 ILE 38 -9.588 -8.554 2.171 289 HG22 ILE 38 HG22 ILE 38 -9.356 -7.846 3.787 290 HG23 ILE 38 HG23 ILE 38 -10.715 -7.330 2.795 291 HD11 ILE 38 HD11 ILE 38 -5.759 -8.206 1.541 292 HD12 ILE 38 HD12 ILE 38 -7.378 -8.918 1.461 293 HD13 ILE 38 HD13 ILE 38 -6.883 -7.670 0.284 294 H LYS 39 H LYS 39 -10.524 -5.718 -1.458 295 HA LYS 39 HA LYS 39 -12.289 -3.656 -0.573 296 HB2 LYS 39 HB2 LYS 39 -12.163 -5.491 -2.981 297 HB3 LYS 39 HB3 LYS 39 -13.597 -4.513 -2.737 298 HG2 LYS 39 HG2 LYS 39 -10.982 -3.064 -2.490 299 HG3 LYS 39 HG3 LYS 39 -11.392 -3.646 -4.110 300 HD2 LYS 39 HD2 LYS 39 -13.648 -2.551 -3.848 301 HD3 LYS 39 HD3 LYS 39 -13.074 -1.819 -2.343 302 HE2 LYS 39 HE2 LYS 39 -11.450 -0.470 -3.538 303 HE3 LYS 39 HE3 LYS 39 -11.705 -1.392 -5.037 304 HZ1 LYS 39 HZ1 LYS 39 -13.714 0.341 -3.723 305 HZ2 LYS 39 HZ2 LYS 39 -13.973 -0.562 -5.063 306 HZ3 LYS 39 HZ3 LYS 39 -12.914 0.720 -5.077 307 H ASP 40 H ASP 40 -14.401 -3.698 0.164 308 HA ASP 40 HA ASP 40 -15.277 -6.207 1.336 309 HB2 ASP 40 HB2 ASP 40 -15.781 -3.726 2.107 310 HB3 ASP 40 HB3 ASP 40 -17.158 -3.913 0.974 311 H LYS 41 H LYS 41 -17.694 -6.803 0.862 312 HA LYS 41 HA LYS 41 -18.061 -7.046 -2.095 313 HB2 LYS 41 HB2 LYS 41 -19.393 -8.959 -1.645 314 HB3 LYS 41 HB3 LYS 41 -17.734 -9.238 -1.057 315 HG2 LYS 41 HG2 LYS 41 -18.758 -8.734 1.282 316 HG3 LYS 41 HG3 LYS 41 -20.318 -8.740 0.436 317 HD2 LYS 41 HD2 LYS 41 -20.247 -10.881 1.271 318 HD3 LYS 41 HD3 LYS 41 -19.666 -11.120 -0.385 319 HE2 LYS 41 HE2 LYS 41 -17.290 -10.999 0.516 320 HE3 LYS 41 HE3 LYS 41 -17.964 -10.800 2.136 321 HZ1 LYS 41 HZ1 LYS 41 -19.068 -12.999 1.772 322 HZ2 LYS 41 HZ2 LYS 41 -17.430 -13.055 1.899 323 HZ3 LYS 41 HZ3 LYS 41 -18.148 -13.195 0.432 324 H GLN 42 H GLN 42 -19.473 -6.408 0.974 325 HA GLN 42 HA GLN 42 -22.211 -6.013 0.031 326 HB2 GLN 42 HB2 GLN 42 -20.925 -5.289 2.715 327 HB3 GLN 42 HB3 GLN 42 -22.613 -5.072 2.316 328 HG2 GLN 42 HG2 GLN 42 -23.055 -7.116 2.999 329 HG3 GLN 42 HG3 GLN 42 -22.221 -7.739 1.599 330 HE21 GLN 42 HE21 GLN 42 -19.477 -6.649 3.127 331 HE22 GLN 42 HE22 GLN 42 -19.275 -7.946 4.255 332 H THR 43 H THR 43 -19.515 -3.859 0.958 333 HA THR 43 HA THR 43 -21.061 -1.596 -0.235 334 HB THR 43 HB THR 43 -20.668 -1.460 2.154 335 HG1 THR 43 HG1 THR 43 -20.617 0.407 0.768 336 HG21 THR 43 HG21 THR 43 -17.710 -1.536 1.509 337 HG22 THR 43 HG22 THR 43 -18.635 -2.686 2.516 338 HG23 THR 43 HG23 THR 43 -18.407 -1.028 3.054 339 H GLN 44 H GLN 44 -18.299 -3.544 -0.894 340 HA GLN 44 HA GLN 44 -16.625 -3.431 -2.405 341 HB2 GLN 44 HB2 GLN 44 -18.364 -1.401 -3.825 342 HB3 GLN 44 HB3 GLN 44 -17.023 -2.285 -4.524 343 HG2 GLN 44 HG2 GLN 44 -19.483 -3.642 -3.340 344 HG3 GLN 44 HG3 GLN 44 -19.304 -3.189 -5.041 345 HE21 GLN 44 HE21 GLN 44 -19.775 -5.793 -4.019 346 HE22 GLN 44 HE22 GLN 44 -18.411 -6.841 -4.383 347 H LEU 45 H LEU 45 -16.542 -1.622 -0.062 348 HA LEU 45 HA LEU 45 -14.784 0.559 -1.044 349 HB2 LEU 45 HB2 LEU 45 -15.951 0.011 1.723 350 HB3 LEU 45 HB3 LEU 45 -14.967 1.397 1.280 351 HG LEU 45 HG LEU 45 -17.681 0.735 0.080 352 HD11 LEU 45 HD11 LEU 45 -17.917 1.382 2.390 353 HD12 LEU 45 HD12 LEU 45 -18.528 2.654 1.342 354 HD13 LEU 45 HD13 LEU 45 -16.948 2.853 2.138 355 HD21 LEU 45 HD21 LEU 45 -15.895 3.152 -0.329 356 HD22 LEU 45 HD22 LEU 45 -17.579 2.970 -0.896 357 HD23 LEU 45 HD23 LEU 45 -16.332 1.904 -1.533 358 H ASN 46 H ASN 46 -12.798 0.923 0.083 359 HA ASN 46 HA ASN 46 -11.137 -1.431 0.332 360 HB2 ASN 46 HB2 ASN 46 -10.659 1.444 1.176 361 HB3 ASN 46 HB3 ASN 46 -9.467 0.200 1.129 362 HD21 ASN 46 HD21 ASN 46 -9.641 2.787 -0.425 363 HD22 ASN 46 HD22 ASN 46 -9.617 2.341 -2.114 364 H ARG 47 H ARG 47 -10.768 -2.644 2.195 365 HA ARG 47 HA ARG 47 -12.208 -2.098 4.663 366 HB2 ARG 47 HB2 ARG 47 -10.198 -4.146 3.746 367 HB3 ARG 47 HB3 ARG 47 -10.500 -3.988 5.463 368 HG2 ARG 47 HG2 ARG 47 -12.873 -4.311 3.622 369 HG3 ARG 47 HG3 ARG 47 -11.891 -5.714 4.046 370 HD2 ARG 47 HD2 ARG 47 -12.301 -5.560 6.336 371 HD3 ARG 47 HD3 ARG 47 -12.921 -3.902 6.230 372 HE ARG 47 HE ARG 47 -14.761 -5.159 4.739 373 HH11 ARG 47 HH11 ARG 47 -13.458 -6.450 7.815 374 HH12 ARG 47 HH12 ARG 47 -15.035 -6.725 8.460 375 HH21 ARG 47 HH21 ARG 47 -16.723 -5.661 5.526 376 HH22 ARG 47 HH22 ARG 47 -16.960 -6.302 7.136 377 H GLY 48 H GLY 48 -9.228 -0.910 3.499 378 HA2 GLY 48 HA2 GLY 48 -8.523 1.151 4.572 379 HA3 GLY 48 HA3 GLY 48 -8.787 0.434 6.134 380 H PHE 49 H PHE 49 -7.268 -1.775 3.970 381 HA PHE 49 HA PHE 49 -4.581 -0.940 4.682 382 HB2 PHE 49 HB2 PHE 49 -4.228 -3.383 5.440 383 HB3 PHE 49 HB3 PHE 49 -4.809 -2.146 6.544 384 HD1 PHE 49 HD1 PHE 49 -5.864 -5.191 4.680 385 HD2 PHE 49 HD2 PHE 49 -7.049 -2.108 7.448 386 HE1 PHE 49 HE1 PHE 49 -7.816 -6.560 5.377 387 HE2 PHE 49 HE2 PHE 49 -9.024 -3.457 8.090 388 HZ PHE 49 HZ PHE 49 -9.392 -5.694 7.103 389 H ALA 50 H ALA 50 -3.450 -1.092 2.842 390 HA ALA 50 HA ALA 50 -4.384 -3.070 0.834 391 HB1 ALA 50 HB1 ALA 50 -3.518 -1.878 -0.912 392 HB2 ALA 50 HB2 ALA 50 -3.852 -0.516 0.179 393 HB3 ALA 50 HB3 ALA 50 -2.220 -1.197 0.042 394 H PHE 51 H PHE 51 -2.850 -4.364 -0.279 395 HA PHE 51 HA PHE 51 -0.261 -4.791 1.150 396 HB2 PHE 51 HB2 PHE 51 -2.119 -6.728 -0.272 397 HB3 PHE 51 HB3 PHE 51 -0.403 -7.039 -0.128 398 HD1 PHE 51 HD1 PHE 51 -0.108 -8.796 1.369 399 HD2 PHE 51 HD2 PHE 51 -2.883 -5.683 2.419 400 HE1 PHE 51 HE1 PHE 51 -0.442 -9.816 3.642 401 HE2 PHE 51 HE2 PHE 51 -3.226 -6.716 4.624 402 HZ PHE 51 HZ PHE 51 -2.001 -8.784 5.241 403 H ILE 52 H ILE 52 1.455 -4.337 -0.035 404 HA ILE 52 HA ILE 52 1.365 -4.049 -3.001 405 HB ILE 52 HB ILE 52 2.732 -2.203 -1.019 406 HG12 ILE 52 HG12 ILE 52 0.328 -1.732 -1.130 407 HG13 ILE 52 HG13 ILE 52 1.324 -0.420 -1.766 408 HG21 ILE 52 HG21 ILE 52 4.146 -2.424 -2.997 409 HG22 ILE 52 HG22 ILE 52 2.772 -2.023 -4.039 410 HG23 ILE 52 HG23 ILE 52 3.421 -0.817 -2.924 411 HD11 ILE 52 HD11 ILE 52 0.747 -1.014 -4.055 412 HD12 ILE 52 HD12 ILE 52 -0.151 -2.432 -3.472 413 HD13 ILE 52 HD13 ILE 52 -0.708 -0.780 -3.078 414 H GLN 53 H GLN 53 2.766 -5.541 -3.855 415 HA GLN 53 HA GLN 53 4.825 -6.817 -2.244 416 HB2 GLN 53 HB2 GLN 53 3.332 -8.078 -3.633 417 HB3 GLN 53 HB3 GLN 53 3.672 -7.095 -5.061 418 HG2 GLN 53 HG2 GLN 53 5.660 -8.149 -5.511 419 HG3 GLN 53 HG3 GLN 53 5.993 -8.521 -3.814 420 HE21 GLN 53 HE21 GLN 53 5.439 -10.362 -2.984 421 HE22 GLN 53 HE22 GLN 53 4.694 -11.706 -3.872 422 H LEU 54 H LEU 54 7.043 -6.811 -2.830 423 HA LEU 54 HA LEU 54 7.985 -4.629 -4.619 424 HB2 LEU 54 HB2 LEU 54 8.925 -5.791 -2.000 425 HB3 LEU 54 HB3 LEU 54 10.184 -5.579 -3.152 426 HG LEU 54 HG LEU 54 9.875 -3.635 -1.641 427 HD11 LEU 54 HD11 LEU 54 11.056 -3.580 -3.833 428 HD12 LEU 54 HD12 LEU 54 10.356 -2.015 -3.371 429 HD13 LEU 54 HD13 LEU 54 9.576 -3.020 -4.610 430 HD21 LEU 54 HD21 LEU 54 7.351 -3.588 -1.711 431 HD22 LEU 54 HD22 LEU 54 7.447 -2.918 -3.348 432 HD23 LEU 54 HD23 LEU 54 8.146 -2.017 -1.987 433 H SER 55 H SER 55 10.080 -5.026 -5.622 434 HA SER 55 HA SER 55 10.290 -7.293 -7.263 435 HB2 SER 55 HB2 SER 55 12.535 -5.440 -6.371 436 HB3 SER 55 HB3 SER 55 12.429 -6.353 -7.887 437 HG SER 55 HG SER 55 11.728 -3.935 -7.563 438 H THR 56 H THR 56 12.247 -6.398 -4.367 439 HA THR 56 HA THR 56 13.401 -9.089 -4.271 440 HB THR 56 HB THR 56 14.774 -7.143 -2.668 441 HG1 THR 56 HG1 THR 56 15.166 -5.511 -4.055 442 HG21 THR 56 HG21 THR 56 15.456 -8.088 -5.468 443 HG22 THR 56 HG22 THR 56 15.843 -8.951 -3.965 444 HG23 THR 56 HG23 THR 56 16.577 -7.373 -4.284 445 H ILE 57 H ILE 57 14.355 -9.131 -1.659 446 HA ILE 57 HA ILE 57 11.927 -8.810 0.050 447 HB ILE 57 HB ILE 57 13.003 -10.256 1.594 448 HG12 ILE 57 HG12 ILE 57 15.068 -11.632 0.423 449 HG13 ILE 57 HG13 ILE 57 15.440 -9.990 -0.083 450 HG21 ILE 57 HG21 ILE 57 13.038 -11.492 -1.197 451 HG22 ILE 57 HG22 ILE 57 12.795 -12.342 0.327 452 HG23 ILE 57 HG23 ILE 57 11.574 -11.184 -0.235 453 HD11 ILE 57 HD11 ILE 57 16.539 -10.571 2.042 454 HD12 ILE 57 HD12 ILE 57 15.365 -9.268 2.316 455 HD13 ILE 57 HD13 ILE 57 14.970 -10.935 2.784 456 H VAL 58 H VAL 58 15.128 -7.641 -0.450 457 HA VAL 58 HA VAL 58 15.443 -6.313 2.095 458 HB VAL 58 HB VAL 58 17.019 -5.630 -0.419 459 HG11 VAL 58 HG11 VAL 58 18.863 -5.445 1.199 460 HG12 VAL 58 HG12 VAL 58 17.498 -4.474 1.729 461 HG13 VAL 58 HG13 VAL 58 17.787 -6.042 2.498 462 HG21 VAL 58 HG21 VAL 58 18.567 -7.529 0.044 463 HG22 VAL 58 HG22 VAL 58 17.387 -8.197 1.183 464 HG23 VAL 58 HG23 VAL 58 17.007 -8.068 -0.557 465 H GLU 59 H GLU 59 14.481 -5.213 -1.176 466 HA GLU 59 HA GLU 59 14.575 -2.446 -0.761 467 HB2 GLU 59 HB2 GLU 59 13.072 -4.297 -2.609 468 HB3 GLU 59 HB3 GLU 59 12.708 -2.572 -2.587 469 HG2 GLU 59 HG2 GLU 59 14.394 -3.348 -4.321 470 HG3 GLU 59 HG3 GLU 59 14.752 -1.911 -3.387 471 H ALA 60 H ALA 60 12.183 -4.748 0.376 472 HA ALA 60 HA ALA 60 10.007 -3.074 0.750 473 HB1 ALA 60 HB1 ALA 60 9.824 -5.467 1.109 474 HB2 ALA 60 HB2 ALA 60 10.933 -5.391 2.502 475 HB3 ALA 60 HB3 ALA 60 9.325 -4.636 2.582 476 H ALA 61 H ALA 61 12.906 -3.422 2.840 477 HA ALA 61 HA ALA 61 11.748 -1.497 4.781 478 HB1 ALA 61 HB1 ALA 61 14.411 -3.014 4.677 479 HB2 ALA 61 HB2 ALA 61 13.856 -1.977 6.033 480 HB3 ALA 61 HB3 ALA 61 12.974 -3.449 5.635 481 H GLN 62 H GLN 62 13.581 -1.259 1.903 482 HA GLN 62 HA GLN 62 14.862 1.282 2.690 483 HB2 GLN 62 HB2 GLN 62 15.026 -0.530 0.325 484 HB3 GLN 62 HB3 GLN 62 15.635 1.118 0.234 485 HG2 GLN 62 HG2 GLN 62 17.308 0.815 1.784 486 HG3 GLN 62 HG3 GLN 62 16.482 -0.482 2.621 487 HE21 GLN 62 HE21 GLN 62 15.985 -2.484 1.000 488 HE22 GLN 62 HE22 GLN 62 17.135 -2.702 -0.277 489 H LEU 63 H LEU 63 12.812 0.178 -0.136 490 HA LEU 63 HA LEU 63 12.220 2.671 -1.029 491 HB2 LEU 63 HB2 LEU 63 11.331 0.044 -1.647 492 HB3 LEU 63 HB3 LEU 63 9.879 0.959 -1.322 493 HG LEU 63 HG LEU 63 11.120 2.751 -2.919 494 HD11 LEU 63 HD11 LEU 63 12.443 1.674 -4.661 495 HD12 LEU 63 HD12 LEU 63 12.235 0.091 -3.891 496 HD13 LEU 63 HD13 LEU 63 13.182 1.357 -3.085 497 HD21 LEU 63 HD21 LEU 63 9.691 0.268 -3.974 498 HD22 LEU 63 HD22 LEU 63 9.789 1.854 -4.770 499 HD23 LEU 63 HD23 LEU 63 8.896 1.696 -3.277 500 H LEU 64 H LEU 64 10.226 0.918 1.521 501 HA LEU 64 HA LEU 64 8.293 2.703 1.900 502 HB2 LEU 64 HB2 LEU 64 9.508 0.537 3.317 503 HB3 LEU 64 HB3 LEU 64 9.268 1.813 4.438 504 HG LEU 64 HG LEU 64 7.337 -0.004 3.082 505 HD11 LEU 64 HD11 LEU 64 6.295 0.207 5.352 506 HD12 LEU 64 HD12 LEU 64 7.348 1.718 5.528 507 HD13 LEU 64 HD13 LEU 64 8.053 0.080 5.435 508 HD21 LEU 64 HD21 LEU 64 6.331 2.024 2.107 509 HD22 LEU 64 HD22 LEU 64 6.477 2.862 3.685 510 HD23 LEU 64 HD23 LEU 64 5.363 1.504 3.479 511 H GLN 65 H GLN 65 11.676 3.140 3.092 512 HA GLN 65 HA GLN 65 10.868 5.575 4.568 513 HB2 GLN 65 HB2 GLN 65 13.265 5.816 5.118 514 HB3 GLN 65 HB3 GLN 65 12.587 4.294 5.686 515 HG2 GLN 65 HG2 GLN 65 13.748 3.015 4.090 516 HG3 GLN 65 HG3 GLN 65 14.177 4.444 3.134 517 HE21 GLN 65 HE21 GLN 65 14.689 3.423 6.623 518 HE22 GLN 65 HE22 GLN 65 16.408 3.718 6.480 519 H ILE 66 H ILE 66 12.633 4.616 1.604 520 HA ILE 66 HA ILE 66 13.546 7.189 0.851 521 HB ILE 66 HB ILE 66 12.833 4.815 -0.903 522 HG12 ILE 66 HG12 ILE 66 15.611 5.580 0.058 523 HG13 ILE 66 HG13 ILE 66 14.626 4.450 0.944 524 HG21 ILE 66 HG21 ILE 66 14.364 5.750 -2.591 525 HG22 ILE 66 HG22 ILE 66 13.057 6.873 -2.264 526 HG23 ILE 66 HG23 ILE 66 14.668 7.153 -1.553 527 HD11 ILE 66 HD11 ILE 66 14.483 2.980 -1.091 528 HD12 ILE 66 HD12 ILE 66 15.661 4.052 -1.880 529 HD13 ILE 66 HD13 ILE 66 16.106 3.179 -0.408 530 H LEU 67 H LEU 67 10.368 5.640 0.438 531 HA LEU 67 HA LEU 67 9.347 7.832 -1.189 532 HB2 LEU 67 HB2 LEU 67 7.546 6.049 0.439 533 HB3 LEU 67 HB3 LEU 67 7.212 6.946 -1.020 534 HG LEU 67 HG LEU 67 8.485 4.254 -0.696 535 HD11 LEU 67 HD11 LEU 67 6.444 5.349 -2.609 536 HD12 LEU 67 HD12 LEU 67 6.155 4.465 -1.095 537 HD13 LEU 67 HD13 LEU 67 6.956 3.639 -2.436 538 HD21 LEU 67 HD21 LEU 67 9.143 4.323 -3.152 539 HD22 LEU 67 HD22 LEU 67 10.222 5.190 -2.070 540 HD23 LEU 67 HD23 LEU 67 9.052 6.104 -3.030 541 H GLN 68 H GLN 68 8.589 6.715 2.283 542 HA GLN 68 HA GLN 68 7.039 8.942 2.739 543 HB2 GLN 68 HB2 GLN 68 7.642 6.692 4.080 544 HB3 GLN 68 HB3 GLN 68 8.723 7.775 4.905 545 HG2 GLN 68 HG2 GLN 68 6.901 7.946 6.267 546 HG3 GLN 68 HG3 GLN 68 6.639 9.314 5.161 547 HE21 GLN 68 HE21 GLN 68 5.843 6.166 3.818 548 HE22 GLN 68 HE22 GLN 68 4.134 6.351 3.982 549 H ALA 69 H ALA 69 10.544 8.870 2.828 550 HA ALA 69 HA ALA 69 10.981 11.231 4.446 551 HB1 ALA 69 HB1 ALA 69 12.755 9.549 4.063 552 HB2 ALA 69 HB2 ALA 69 12.738 9.932 2.323 553 HB3 ALA 69 HB3 ALA 69 13.267 11.149 3.498 554 H LEU 70 H LEU 70 9.843 10.930 1.219 555 HA LEU 70 HA LEU 70 10.641 13.642 0.434 556 HB2 LEU 70 HB2 LEU 70 8.984 11.515 -1.006 557 HB3 LEU 70 HB3 LEU 70 9.660 12.967 -1.744 558 HG LEU 70 HG LEU 70 11.332 10.702 -0.572 559 HD11 LEU 70 HD11 LEU 70 10.635 11.303 -3.454 560 HD12 LEU 70 HD12 LEU 70 10.032 9.942 -2.492 561 HD13 LEU 70 HD13 LEU 70 11.744 10.044 -2.892 562 HD21 LEU 70 HD21 LEU 70 12.483 12.780 -0.486 563 HD22 LEU 70 HD22 LEU 70 12.048 13.183 -2.170 564 HD23 LEU 70 HD23 LEU 70 13.165 11.856 -1.819 565 H HIS 71 H HIS 71 8.426 14.426 -1.014 566 HA HIS 71 HA HIS 71 6.129 14.190 0.830 567 HB2 HIS 71 HB2 HIS 71 7.047 16.593 -0.745 568 HB3 HIS 71 HB3 HIS 71 5.351 16.366 -0.297 569 HD1 HIS 71 HD1 HIS 71 4.795 16.102 2.294 570 HD2 HIS 71 HD2 HIS 71 8.768 17.047 1.355 571 HE1 HIS 71 HE1 HIS 71 5.946 16.725 4.524 572 HA PRO 72 HA PRO 72 5.385 11.969 -3.147 573 HB2 PRO 72 HB2 PRO 72 4.225 9.693 -2.120 574 HB3 PRO 72 HB3 PRO 72 5.995 9.941 -2.202 575 HG2 PRO 72 HG2 PRO 72 4.147 10.444 0.153 576 HG3 PRO 72 HG3 PRO 72 5.680 9.511 0.134 577 HD2 PRO 72 HD2 PRO 72 5.590 12.102 0.927 578 HD3 PRO 72 HD3 PRO 72 6.965 11.469 -0.020 579 HA PRO 73 HA PRO 73 1.125 13.145 -3.472 580 HB2 PRO 73 HB2 PRO 73 -0.010 11.093 -5.020 581 HB3 PRO 73 HB3 PRO 73 0.868 12.530 -5.599 582 HG2 PRO 73 HG2 PRO 73 1.836 9.729 -5.300 583 HG3 PRO 73 HG3 PRO 73 2.320 10.966 -6.491 584 HD2 PRO 73 HD2 PRO 73 3.791 10.249 -4.254 585 HD3 PRO 73 HD3 PRO 73 3.923 11.827 -5.069 586 H LEU 74 H LEU 74 1.936 10.453 -1.753 587 HA LEU 74 HA LEU 74 -0.338 9.082 -0.978 588 HB2 LEU 74 HB2 LEU 74 2.291 8.859 -0.565 589 HB3 LEU 74 HB3 LEU 74 1.960 9.817 0.869 590 HG LEU 74 HG LEU 74 0.397 7.991 1.632 591 HD11 LEU 74 HD11 LEU 74 -0.188 6.981 -0.565 592 HD12 LEU 74 HD12 LEU 74 0.574 5.765 0.458 593 HD13 LEU 74 HD13 LEU 74 1.510 6.541 -0.814 594 HD21 LEU 74 HD21 LEU 74 2.753 8.108 2.374 595 HD22 LEU 74 HD22 LEU 74 3.269 7.179 0.944 596 HD23 LEU 74 HD23 LEU 74 2.262 6.437 2.211 597 H THR 75 H THR 75 -1.146 9.130 1.425 598 HA THR 75 HA THR 75 -2.694 10.021 2.771 599 HB THR 75 HB THR 75 -1.440 12.721 2.448 600 HG1 THR 75 HG1 THR 75 0.221 11.460 3.247 601 HG21 THR 75 HG21 THR 75 -2.167 13.059 4.762 602 HG22 THR 75 HG22 THR 75 -2.970 11.500 4.732 603 HG23 THR 75 HG23 THR 75 -3.529 12.814 3.643 604 H ILE 76 H ILE 76 -4.059 9.453 1.229 605 HA ILE 76 HA ILE 76 -5.206 11.577 -0.558 606 HB ILE 76 HB ILE 76 -6.064 8.668 -0.305 607 HG12 ILE 76 HG12 ILE 76 -5.254 8.777 -2.853 608 HG13 ILE 76 HG13 ILE 76 -4.176 10.011 -2.232 609 HG21 ILE 76 HG21 ILE 76 -7.874 10.212 -0.982 610 HG22 ILE 76 HG22 ILE 76 -6.867 10.754 -2.345 611 HG23 ILE 76 HG23 ILE 76 -7.440 9.079 -2.255 612 HD11 ILE 76 HD11 ILE 76 -4.370 7.170 -1.132 613 HD12 ILE 76 HD12 ILE 76 -3.264 7.659 -2.429 614 HD13 ILE 76 HD13 ILE 76 -3.092 8.352 -0.796 615 H ASP 77 H ASP 77 -7.286 12.417 0.060 616 HA ASP 77 HA ASP 77 -8.885 13.183 1.477 617 HB2 ASP 77 HB2 ASP 77 -9.349 10.735 0.806 618 HB3 ASP 77 HB3 ASP 77 -9.070 10.342 2.502 619 H GLY 78 H GLY 78 -6.085 13.202 2.675 620 HA2 GLY 78 HA2 GLY 78 -5.141 13.934 4.629 621 HA3 GLY 78 HA3 GLY 78 -6.759 14.070 5.341 622 H LYS 79 H LYS 79 -5.928 10.946 4.035 623 HA LYS 79 HA LYS 79 -5.707 9.830 6.802 624 HB2 LYS 79 HB2 LYS 79 -6.755 8.611 4.207 625 HB3 LYS 79 HB3 LYS 79 -6.610 7.800 5.736 626 HG2 LYS 79 HG2 LYS 79 -8.209 10.378 5.668 627 HG3 LYS 79 HG3 LYS 79 -8.896 8.968 4.902 628 HD2 LYS 79 HD2 LYS 79 -8.798 7.712 6.997 629 HD3 LYS 79 HD3 LYS 79 -8.022 9.076 7.814 630 HE2 LYS 79 HE2 LYS 79 -9.939 10.476 7.594 631 HE3 LYS 79 HE3 LYS 79 -10.692 9.428 6.390 632 HZ1 LYS 79 HZ1 LYS 79 -11.212 7.844 8.037 633 HZ2 LYS 79 HZ2 LYS 79 -11.645 9.290 8.668 634 HZ3 LYS 79 HZ3 LYS 79 -10.267 8.562 9.182 635 H THR 80 H THR 80 -3.391 9.943 7.011 636 HA THR 80 HA THR 80 -1.782 9.467 4.740 637 HB THR 80 HB THR 80 -1.023 9.416 7.700 638 HG1 THR 80 HG1 THR 80 -0.927 11.538 5.824 639 HG21 THR 80 HG21 THR 80 0.685 10.032 5.257 640 HG22 THR 80 HG22 THR 80 0.827 8.591 6.272 641 HG23 THR 80 HG23 THR 80 1.195 10.191 6.941 642 H ILE 81 H ILE 81 -1.116 7.707 3.818 643 HA ILE 81 HA ILE 81 -1.871 5.158 4.771 644 HB ILE 81 HB ILE 81 0.114 5.877 2.607 645 HG12 ILE 81 HG12 ILE 81 -1.929 6.884 1.860 646 HG13 ILE 81 HG13 ILE 81 -1.848 5.355 0.994 647 HG21 ILE 81 HG21 ILE 81 0.418 3.619 3.235 648 HG22 ILE 81 HG22 ILE 81 -1.332 3.358 3.381 649 HG23 ILE 81 HG23 ILE 81 -0.572 3.602 1.765 650 HD11 ILE 81 HD11 ILE 81 -3.323 4.407 2.947 651 HD12 ILE 81 HD12 ILE 81 -3.572 6.085 3.424 652 HD13 ILE 81 HD13 ILE 81 -4.082 5.546 1.824 653 H ASN 82 H ASN 82 -1.088 4.287 6.516 654 HA ASN 82 HA ASN 82 1.353 5.037 7.709 655 HB2 ASN 82 HB2 ASN 82 -0.903 3.860 8.562 656 HB3 ASN 82 HB3 ASN 82 0.135 2.416 8.521 657 HD21 ASN 82 HD21 ASN 82 -1.131 4.274 10.686 658 HD22 ASN 82 HD22 ASN 82 0.175 4.758 11.685 659 H VAL 83 H VAL 83 3.204 3.887 8.154 660 HA VAL 83 HA VAL 83 4.252 2.442 5.849 661 HB VAL 83 HB VAL 83 6.456 2.969 7.044 662 HG11 VAL 83 HG11 VAL 83 4.621 5.256 6.349 663 HG12 VAL 83 HG12 VAL 83 6.400 5.314 6.439 664 HG13 VAL 83 HG13 VAL 83 5.611 4.297 5.229 665 HG21 VAL 83 HG21 VAL 83 6.513 4.633 8.746 666 HG22 VAL 83 HG22 VAL 83 4.765 4.830 8.763 667 HG23 VAL 83 HG23 VAL 83 5.506 3.325 9.377 668 H GLU 84 H GLU 84 2.876 0.377 6.539 669 HA GLU 84 HA GLU 84 4.397 -1.054 8.645 670 HB2 GLU 84 HB2 GLU 84 1.499 -1.291 7.670 671 HB3 GLU 84 HB3 GLU 84 2.180 -2.314 8.926 672 HG2 GLU 84 HG2 GLU 84 1.911 0.727 9.128 673 HG3 GLU 84 HG3 GLU 84 0.741 -0.425 9.730 674 H PHE 85 H PHE 85 4.097 -3.556 8.527 675 HA PHE 85 HA PHE 85 5.007 -4.271 5.790 676 HB2 PHE 85 HB2 PHE 85 6.112 -5.011 8.518 677 HB3 PHE 85 HB3 PHE 85 6.468 -5.951 7.070 678 HD1 PHE 85 HD1 PHE 85 7.809 -3.366 9.020 679 HD2 PHE 85 HD2 PHE 85 7.084 -4.504 4.913 680 HE1 PHE 85 HE1 PHE 85 9.590 -1.797 8.237 681 HE2 PHE 85 HE2 PHE 85 8.743 -2.868 4.172 682 HZ PHE 85 HZ PHE 85 9.991 -1.479 5.841 683 H ALA 86 H ALA 86 4.605 -6.503 5.061 684 HA ALA 86 HA ALA 86 2.044 -7.462 6.033 685 HB1 ALA 86 HB1 ALA 86 2.512 -7.155 3.633 686 HB2 ALA 86 HB2 ALA 86 3.730 -8.464 3.756 687 HB3 ALA 86 HB3 ALA 86 2.010 -8.808 4.046 688 H LYS 87 H LYS 87 3.453 -7.915 8.117 689 HA LYS 87 HA LYS 87 4.627 -10.493 8.391 690 HB2 LYS 87 HB2 LYS 87 4.019 -8.349 10.118 691 HB3 LYS 87 HB3 LYS 87 2.897 -9.585 10.659 692 HG2 LYS 87 HG2 LYS 87 4.837 -9.856 11.952 693 HG3 LYS 87 HG3 LYS 87 4.880 -11.199 10.798 694 HD2 LYS 87 HD2 LYS 87 6.555 -10.013 9.426 695 HD3 LYS 87 HD3 LYS 87 6.318 -8.534 10.389 696 HE2 LYS 87 HE2 LYS 87 7.010 -9.856 12.429 697 HE3 LYS 87 HE3 LYS 87 7.495 -11.178 11.346 698 HZ1 LYS 87 HZ1 LYS 87 9.225 -9.562 12.045 699 HZ2 LYS 87 HZ2 LYS 87 8.509 -8.419 11.105 700 HZ3 LYS 87 HZ3 LYS 87 9.149 -9.806 10.427 701 H GLY 88 H GLY 88 3.697 -12.549 8.211 702 HA2 GLY 88 HA2 GLY 88 1.006 -13.041 9.176 703 HA3 GLY 88 HA3 GLY 88 1.143 -13.125 7.426 704 H SER 89 H SER 89 2.745 -14.200 10.422 705 HA SER 89 HA SER 89 2.493 -16.948 9.737 706 HB2 SER 89 HB2 SER 89 5.212 -15.805 10.554 707 HB3 SER 89 HB3 SER 89 4.780 -17.526 10.469 708 HG SER 89 HG SER 89 4.324 -17.181 8.205
Contact the webmaster for help, if required. Monday, April 29, 2024 3:13:11 AM GMT (wattos1)