NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11214 | 1r57 | 5845 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 25.671 2.413 -3.454 2 2H MET 1 2H MET 1 27.283 2.480 -2.938 3 3H MET 1 3H MET 1 26.382 1.059 -2.717 4 HA MET 1 HA MET 1 27.158 2.237 -5.320 5 1HB MET 1 2HB MET 1 28.163 -0.228 -3.872 6 2HB MET 1 1HB MET 1 28.584 0.209 -5.523 7 1HG MET 1 2HG MET 1 29.605 2.281 -4.699 8 2HG MET 1 1HG MET 1 29.214 1.805 -3.050 9 1HE MET 1 1HE MET 1 33.115 1.424 -3.223 10 2HE MET 1 2HE MET 1 31.758 2.238 -2.443 11 3HE MET 1 3HE MET 1 32.167 2.613 -4.117 12 H SER 2 H SER 2 25.833 1.722 -6.884 13 HA SER 2 HA SER 2 24.037 0.893 -7.981 14 1HB SER 2 2HB SER 2 24.032 -1.584 -8.322 15 2HB SER 2 1HB SER 2 25.595 -0.830 -8.620 16 HG SER 2 HG SER 2 25.470 -1.550 -6.048 17 H ASN 3 H ASN 3 22.823 1.925 -6.143 18 HA ASN 3 HA ASN 3 21.134 -0.102 -4.838 19 1HB ASN 3 2HB ASN 3 22.335 2.357 -3.553 20 2HB ASN 3 1HB ASN 3 20.972 1.487 -2.862 21 1HD2 ASN 3 1HD2 ASN 3 21.927 -1.127 -3.629 22 2HD2 ASN 3 2HD2 ASN 3 23.267 -1.490 -2.597 23 H LEU 4 H LEU 4 19.895 0.486 -6.851 24 HA LEU 4 HA LEU 4 17.989 2.604 -6.105 25 1HB LEU 4 2HB LEU 4 19.565 3.335 -7.955 26 2HB LEU 4 1HB LEU 4 18.856 2.077 -8.949 27 HG LEU 4 HG LEU 4 16.665 3.175 -8.798 28 1HD1 LEU 4 1HD1 LEU 4 18.135 5.302 -7.245 29 2HD1 LEU 4 2HD1 LEU 4 16.940 4.184 -6.588 30 3HD1 LEU 4 3HD1 LEU 4 16.459 5.385 -7.788 31 1HD2 LEU 4 1HD2 LEU 4 18.904 5.003 -9.665 32 2HD2 LEU 4 2HD2 LEU 4 17.213 5.168 -10.133 33 3HD2 LEU 4 3HD2 LEU 4 18.137 3.755 -10.645 34 H GLU 5 H GLU 5 18.383 -0.424 -6.152 35 HA GLU 5 HA GLU 5 16.423 -1.498 -7.919 36 1HB GLU 5 2HB GLU 5 16.785 -3.574 -6.532 37 2HB GLU 5 1HB GLU 5 18.236 -2.905 -7.268 38 1HG GLU 5 2HG GLU 5 18.863 -1.876 -5.170 39 2HG GLU 5 1HG GLU 5 17.378 -2.454 -4.420 40 H ILE 6 H ILE 6 14.546 -2.723 -7.203 41 HA ILE 6 HA ILE 6 13.146 -1.378 -4.992 42 HB ILE 6 HB ILE 6 11.952 -3.057 -7.209 43 1HG1 ILE 6 2HG1 ILE 6 12.039 -0.041 -6.929 44 2HG1 ILE 6 1HG1 ILE 6 13.003 -0.979 -8.065 45 1HG2 ILE 6 1HG2 ILE 6 10.678 -1.243 -5.159 46 2HG2 ILE 6 2HG2 ILE 6 10.585 -3.004 -5.199 47 3HG2 ILE 6 3HG2 ILE 6 9.828 -2.051 -6.475 48 1HD1 ILE 6 1HD1 ILE 6 11.116 0.005 -9.188 49 2HD1 ILE 6 2HD1 ILE 6 10.006 -0.735 -8.036 50 3HD1 ILE 6 3HD1 ILE 6 10.931 -1.748 -9.145 51 H LYS 7 H LYS 7 12.915 -2.477 -3.152 52 HA LYS 7 HA LYS 7 13.656 -5.261 -3.025 53 1HB LYS 7 2HB LYS 7 12.858 -3.207 -0.981 54 2HB LYS 7 1HB LYS 7 12.944 -4.906 -0.552 55 1HG LYS 7 2HG LYS 7 14.981 -3.800 0.079 56 2HG LYS 7 1HG LYS 7 15.309 -4.939 -1.224 57 1HD LYS 7 2HD LYS 7 15.402 -3.145 -2.832 58 2HD LYS 7 1HD LYS 7 14.906 -1.975 -1.606 59 1HE LYS 7 2HE LYS 7 17.330 -1.918 -2.048 60 2HE LYS 7 1HE LYS 7 16.953 -2.332 -0.377 61 1HZ LYS 7 1HZ LYS 7 17.346 -4.656 -0.892 62 2HZ LYS 7 2HZ LYS 7 18.713 -3.729 -1.274 63 3HZ LYS 7 3HZ LYS 7 17.690 -4.274 -2.512 64 H GLN 8 H GLN 8 12.340 -6.928 -3.181 65 HA GLN 8 HA GLN 8 9.477 -6.471 -3.362 66 1HB GLN 8 2HB GLN 8 10.603 -7.882 -5.036 67 2HB GLN 8 1HB GLN 8 11.102 -8.990 -3.767 68 1HG GLN 8 2HG GLN 8 8.733 -9.463 -3.287 69 2HG GLN 8 1HG GLN 8 8.276 -8.412 -4.626 70 1HE2 GLN 8 1HE2 GLN 8 9.658 -11.454 -3.706 71 2HE2 GLN 8 2HE2 GLN 8 9.627 -12.182 -5.282 72 H GLY 9 H GLY 9 8.260 -6.557 -1.606 73 1HA GLY 9 2HA GLY 9 8.980 -8.500 0.499 74 2HA GLY 9 1HA GLY 9 8.288 -6.921 0.847 75 H GLU 10 H GLU 10 6.740 -8.357 2.029 76 HA GLU 10 HA GLU 10 4.988 -10.116 0.691 77 1HB GLU 10 2HB GLU 10 4.466 -8.544 3.223 78 2HB GLU 10 1HB GLU 10 3.627 -9.999 2.705 79 1HG GLU 10 2HG GLU 10 5.635 -11.301 2.969 80 2HG GLU 10 1HG GLU 10 6.556 -9.852 3.368 81 H ASN 11 H ASN 11 4.104 -9.193 -1.143 82 HA ASN 11 HA ASN 11 2.691 -7.974 -2.444 83 1HB ASN 11 2HB ASN 11 1.248 -7.920 0.191 84 2HB ASN 11 1HB ASN 11 0.595 -7.090 -1.215 85 1HD2 ASN 11 1HD2 ASN 11 -1.184 -8.377 -1.378 86 2HD2 ASN 11 2HD2 ASN 11 -1.122 -10.034 -1.859 87 H LYS 12 H LYS 12 4.925 -6.622 -1.118 88 HA LYS 12 HA LYS 12 4.011 -3.878 -1.497 89 1HB LYS 12 2HB LYS 12 5.102 -3.091 0.538 90 2HB LYS 12 1HB LYS 12 3.867 -4.277 0.934 91 1HG LYS 12 2HG LYS 12 5.613 -5.991 1.162 92 2HG LYS 12 1HG LYS 12 6.836 -4.768 0.823 93 1HD LYS 12 2HD LYS 12 4.926 -4.766 3.165 94 2HD LYS 12 1HD LYS 12 6.636 -5.192 3.227 95 1HE LYS 12 2HE LYS 12 6.774 -3.019 3.896 96 2HE LYS 12 1HE LYS 12 6.892 -2.784 2.153 97 1HZ LYS 12 1HZ LYS 12 5.304 -1.235 2.934 98 2HZ LYS 12 2HZ LYS 12 4.511 -2.403 3.879 99 3HZ LYS 12 3HZ LYS 12 4.415 -2.472 2.193 100 H PHE 13 H PHE 13 5.521 -2.567 -2.395 101 HA PHE 13 HA PHE 13 8.214 -3.701 -2.782 102 1HB PHE 13 2HB PHE 13 6.658 -1.922 -4.678 103 2HB PHE 13 1HB PHE 13 8.314 -2.464 -4.924 104 HD1 PHE 13 HD1 PHE 13 5.054 -3.020 -5.877 105 HD2 PHE 13 HD2 PHE 13 8.531 -5.153 -4.663 106 HE1 PHE 13 HE1 PHE 13 4.216 -5.030 -7.024 107 HE2 PHE 13 HE2 PHE 13 7.701 -7.166 -5.808 108 HZ PHE 13 HZ PHE 13 5.541 -7.108 -6.993 109 H TYR 14 H TYR 14 9.820 -2.505 -1.911 110 HA TYR 14 HA TYR 14 9.299 0.352 -1.533 111 1HB TYR 14 2HB TYR 14 10.315 0.288 0.712 112 2HB TYR 14 1HB TYR 14 8.821 -0.627 0.609 113 HD1 TYR 14 HD1 TYR 14 8.880 -3.098 0.697 114 HD2 TYR 14 HD2 TYR 14 12.389 -0.759 1.260 115 HE1 TYR 14 HE1 TYR 14 9.991 -5.027 1.743 116 HE2 TYR 14 HE2 TYR 14 13.513 -2.683 2.300 117 HH TYR 14 HH TYR 14 12.097 -5.874 2.280 118 H ILE 15 H ILE 15 10.958 1.707 -1.738 119 HA ILE 15 HA ILE 15 13.557 0.545 -2.490 120 HB ILE 15 HB ILE 15 12.405 3.239 -3.253 121 1HG1 ILE 15 2HG1 ILE 15 12.852 0.745 -4.911 122 2HG1 ILE 15 1HG1 ILE 15 11.289 1.361 -4.387 123 1HG2 ILE 15 1HG2 ILE 15 14.984 1.894 -4.061 124 2HG2 ILE 15 2HG2 ILE 15 14.820 3.334 -3.055 125 3HG2 ILE 15 3HG2 ILE 15 14.356 3.390 -4.756 126 1HD1 ILE 15 1HD1 ILE 15 11.779 1.888 -6.729 127 2HD1 ILE 15 2HD1 ILE 15 13.196 2.804 -6.215 128 3HD1 ILE 15 3HD1 ILE 15 11.583 3.338 -5.745 129 H GLY 16 H GLY 16 15.085 0.783 -1.040 130 1HA GLY 16 2HA GLY 16 15.940 3.080 0.193 131 2HA GLY 16 1HA GLY 16 14.754 2.386 1.294 132 H ASP 17 H ASP 17 16.877 2.399 2.586 133 HA ASP 17 HA ASP 17 18.808 0.383 1.944 134 1HB ASP 17 2HB ASP 17 18.322 1.884 4.529 135 2HB ASP 17 1HB ASP 17 19.700 0.833 4.223 136 H ASP 18 H ASP 18 16.206 0.662 4.327 137 HA ASP 18 HA ASP 18 15.932 -2.223 4.409 138 1HB ASP 18 2HB ASP 18 16.335 -2.490 6.729 139 2HB ASP 18 1HB ASP 18 17.687 -1.530 6.138 140 H GLU 19 H GLU 19 14.310 -2.352 6.678 141 HA GLU 19 HA GLU 19 11.828 -1.512 5.623 142 1HB GLU 19 2HB GLU 19 12.552 -2.476 8.396 143 2HB GLU 19 1HB GLU 19 10.911 -2.316 7.782 144 1HG GLU 19 2HG GLU 19 11.186 -4.059 6.255 145 2HG GLU 19 1HG GLU 19 12.942 -4.016 6.387 146 H ASN 20 H ASN 20 13.978 -0.140 8.059 147 HA ASN 20 HA ASN 20 12.071 1.894 8.833 148 1HB ASN 20 2HB ASN 20 15.009 1.553 9.468 149 2HB ASN 20 1HB ASN 20 14.000 2.834 10.127 150 1HD2 ASN 20 1HD2 ASN 20 12.457 2.339 11.680 151 2HD2 ASN 20 2HD2 ASN 20 12.445 0.818 12.515 152 H ASN 21 H ASN 21 14.949 1.666 6.812 153 HA ASN 21 HA ASN 21 14.752 4.460 6.044 154 1HB ASN 21 2HB ASN 21 16.688 2.251 5.498 155 2HB ASN 21 1HB ASN 21 16.651 3.640 4.419 156 1HD2 ASN 21 1HD2 ASN 21 18.725 4.226 5.030 157 2HD2 ASN 21 2HD2 ASN 21 19.053 4.969 6.567 158 H ALA 22 H ALA 22 12.557 2.641 5.393 159 HA ALA 22 HA ALA 22 12.603 2.350 2.533 160 1HB ALA 22 1HB ALA 22 10.223 1.771 2.773 161 2HB ALA 22 2HB ALA 22 10.296 2.211 4.480 162 3HB ALA 22 3HB ALA 22 11.236 0.844 3.879 163 H LEU 23 H LEU 23 13.014 4.328 1.640 164 HA LEU 23 HA LEU 23 11.770 6.725 2.572 165 1HB LEU 23 2HB LEU 23 13.340 6.205 0.045 166 2HB LEU 23 1HB LEU 23 12.903 7.788 0.663 167 HG LEU 23 HG LEU 23 14.737 5.810 2.022 168 1HD1 LEU 23 1HD1 LEU 23 15.315 8.401 0.602 169 2HD1 LEU 23 2HD1 LEU 23 15.756 6.782 0.059 170 3HD1 LEU 23 3HD1 LEU 23 16.482 7.451 1.520 171 1HD2 LEU 23 1HD2 LEU 23 13.978 8.624 2.798 172 2HD2 LEU 23 2HD2 LEU 23 15.191 7.623 3.595 173 3HD2 LEU 23 3HD2 LEU 23 13.494 7.148 3.634 174 H ALA 24 H ALA 24 11.161 4.432 0.009 175 HA ALA 24 HA ALA 24 8.576 5.699 -0.435 176 1HB ALA 24 1HB ALA 24 10.495 5.096 -2.682 177 2HB ALA 24 2HB ALA 24 9.994 6.698 -2.141 178 3HB ALA 24 3HB ALA 24 8.818 5.609 -2.874 179 H GLU 25 H GLU 25 7.175 4.116 -0.035 180 HA GLU 25 HA GLU 25 7.620 1.557 -1.381 181 1HB GLU 25 2HB GLU 25 6.876 0.316 0.602 182 2HB GLU 25 1HB GLU 25 8.362 1.199 0.895 183 1HG GLU 25 2HG GLU 25 7.283 1.696 2.811 184 2HG GLU 25 1HG GLU 25 6.652 3.005 1.812 185 H ILE 26 H ILE 26 5.730 0.320 -1.755 186 HA ILE 26 HA ILE 26 3.173 1.694 -1.366 187 HB ILE 26 HB ILE 26 3.935 2.337 -3.614 188 1HG1 ILE 26 2HG1 ILE 26 1.698 0.300 -3.747 189 2HG1 ILE 26 1HG1 ILE 26 1.519 1.956 -3.177 190 1HG2 ILE 26 1HG2 ILE 26 5.406 0.470 -4.095 191 2HG2 ILE 26 2HG2 ILE 26 4.208 0.649 -5.378 192 3HG2 ILE 26 3HG2 ILE 26 4.026 -0.627 -4.172 193 1HD1 ILE 26 1HD1 ILE 26 2.333 1.130 -5.955 194 2HD1 ILE 26 2HD1 ILE 26 2.133 2.788 -5.384 195 3HD1 ILE 26 3HD1 ILE 26 0.741 1.709 -5.465 196 H THR 27 H THR 27 1.429 0.291 -1.111 197 HA THR 27 HA THR 27 2.097 -2.580 -1.145 198 HB THR 27 HB THR 27 0.654 -2.884 0.819 199 HG1 THR 27 HG1 THR 27 -0.219 -1.105 1.872 200 1HG2 THR 27 1HG2 THR 27 2.097 -1.841 2.490 201 2HG2 THR 27 2HG2 THR 27 2.764 -0.766 1.261 202 3HG2 THR 27 3HG2 THR 27 3.053 -2.504 1.165 203 H TYR 28 H TYR 28 0.477 -4.005 -1.803 204 HA TYR 28 HA TYR 28 -2.150 -2.919 -2.435 205 1HB TYR 28 2HB TYR 28 -2.168 -3.793 -4.699 206 2HB TYR 28 1HB TYR 28 -0.823 -2.675 -4.520 207 HD1 TYR 28 HD1 TYR 28 1.514 -3.649 -4.205 208 HD2 TYR 28 HD2 TYR 28 -1.818 -5.994 -5.433 209 HE1 TYR 28 HE1 TYR 28 3.046 -5.362 -5.074 210 HE2 TYR 28 HE2 TYR 28 -0.294 -7.714 -6.304 211 HH TYR 28 HH TYR 28 2.955 -7.868 -5.558 212 H ARG 29 H ARG 29 -3.771 -4.386 -2.136 213 HA ARG 29 HA ARG 29 -2.949 -7.175 -1.692 214 1HB ARG 29 2HB ARG 29 -4.294 -7.397 0.243 215 2HB ARG 29 1HB ARG 29 -3.384 -5.911 0.472 216 1HG ARG 29 2HG ARG 29 -5.325 -4.595 -0.131 217 2HG ARG 29 1HG ARG 29 -6.239 -6.061 -0.486 218 1HD ARG 29 2HD ARG 29 -6.948 -5.454 1.650 219 2HD ARG 29 1HD ARG 29 -5.760 -6.725 1.940 220 HE ARG 29 HE ARG 29 -5.095 -3.858 2.180 221 1HH1 ARG 29 2HH1 ARG 29 -5.014 -7.140 3.416 222 2HH1 ARG 29 1HH1 ARG 29 -4.106 -6.705 4.838 223 1HH2 ARG 29 1HH2 ARG 29 -3.945 -3.287 4.058 224 2HH2 ARG 29 2HH2 ARG 29 -3.499 -4.533 5.199 225 H PHE 30 H PHE 30 -4.595 -8.744 -2.076 226 HA PHE 30 HA PHE 30 -6.402 -7.960 -4.199 227 1HB PHE 30 2HB PHE 30 -5.878 -10.661 -2.927 228 2HB PHE 30 1HB PHE 30 -6.908 -10.392 -4.327 229 HD1 PHE 30 HD1 PHE 30 -5.977 -10.012 -6.500 230 HD2 PHE 30 HD2 PHE 30 -3.440 -10.410 -3.103 231 HE1 PHE 30 HE1 PHE 30 -4.032 -10.266 -7.985 232 HE2 PHE 30 HE2 PHE 30 -1.492 -10.662 -4.587 233 HZ PHE 30 HZ PHE 30 -1.787 -10.594 -7.028 234 H VAL 31 H VAL 31 -8.125 -6.870 -3.469 235 HA VAL 31 HA VAL 31 -9.287 -7.404 -0.909 236 HB VAL 31 HB VAL 31 -11.024 -5.728 -1.590 237 1HG1 VAL 31 1HG1 VAL 31 -8.134 -4.918 -1.846 238 2HG1 VAL 31 2HG1 VAL 31 -9.051 -5.073 -0.347 239 3HG1 VAL 31 3HG1 VAL 31 -9.475 -3.822 -1.516 240 1HG2 VAL 31 1HG2 VAL 31 -10.989 -6.058 -3.993 241 2HG2 VAL 31 2HG2 VAL 31 -9.313 -5.515 -4.064 242 3HG2 VAL 31 3HG2 VAL 31 -10.588 -4.385 -3.602 243 H ASP 32 H ASP 32 -10.181 -8.160 -4.241 244 HA ASP 32 HA ASP 32 -12.328 -9.840 -3.132 245 1HB ASP 32 2HB ASP 32 -13.076 -7.714 -4.368 246 2HB ASP 32 1HB ASP 32 -12.544 -8.526 -5.834 247 H ASN 33 H ASN 33 -11.213 -9.501 -6.499 248 HA ASN 33 HA ASN 33 -9.813 -12.062 -6.221 249 1HB ASN 33 2HB ASN 33 -11.924 -11.396 -8.251 250 2HB ASN 33 1HB ASN 33 -10.651 -12.550 -8.635 251 1HD2 ASN 33 1HD2 ASN 33 -10.536 -14.497 -7.501 252 2HD2 ASN 33 2HD2 ASN 33 -11.896 -15.109 -6.620 253 H ASN 34 H ASN 34 -10.407 -10.262 -9.200 254 HA ASN 34 HA ASN 34 -7.530 -9.991 -9.552 255 1HB ASN 34 2HB ASN 34 -9.855 -9.346 -11.381 256 2HB ASN 34 1HB ASN 34 -8.165 -9.107 -11.813 257 1HD2 ASN 34 1HD2 ASN 34 -10.219 -10.804 -13.004 258 2HD2 ASN 34 2HD2 ASN 34 -9.573 -12.411 -12.989 259 H GLU 35 H GLU 35 -9.840 -8.278 -8.035 260 HA GLU 35 HA GLU 35 -8.951 -5.631 -8.813 261 1HB GLU 35 2HB GLU 35 -10.895 -6.488 -6.656 262 2HB GLU 35 1HB GLU 35 -10.583 -4.832 -7.147 263 1HG GLU 35 2HG GLU 35 -12.620 -5.499 -8.148 264 2HG GLU 35 1HG GLU 35 -11.409 -5.434 -9.426 265 H ILE 36 H ILE 36 -7.230 -4.728 -7.949 266 HA ILE 36 HA ILE 36 -6.474 -5.475 -5.201 267 HB ILE 36 HB ILE 36 -4.153 -4.883 -5.756 268 1HG1 ILE 36 2HG1 ILE 36 -5.103 -4.740 -8.624 269 2HG1 ILE 36 1HG1 ILE 36 -4.724 -3.333 -7.636 270 1HG2 ILE 36 1HG2 ILE 36 -3.640 -6.854 -7.127 271 2HG2 ILE 36 2HG2 ILE 36 -5.349 -6.992 -7.547 272 3HG2 ILE 36 3HG2 ILE 36 -4.830 -7.203 -5.875 273 1HD1 ILE 36 1HD1 ILE 36 -2.807 -5.504 -8.451 274 2HD1 ILE 36 2HD1 ILE 36 -2.413 -4.120 -7.429 275 3HD1 ILE 36 3HD1 ILE 36 -2.885 -3.871 -9.110 276 H ASN 37 H ASN 37 -5.889 -3.820 -3.810 277 HA ASN 37 HA ASN 37 -6.378 -1.106 -4.837 278 1HB ASN 37 2HB ASN 37 -7.233 -0.442 -2.682 279 2HB ASN 37 1HB ASN 37 -8.106 -1.880 -3.194 280 1HD2 ASN 37 1HD2 ASN 37 -7.536 -0.682 -0.514 281 2HD2 ASN 37 2HD2 ASN 37 -6.856 -1.985 0.405 282 H ILE 38 H ILE 38 -4.895 0.442 -4.425 283 HA ILE 38 HA ILE 38 -2.414 -0.286 -3.186 284 HB ILE 38 HB ILE 38 -3.438 2.457 -3.958 285 1HG1 ILE 38 2HG1 ILE 38 -1.515 0.608 -5.390 286 2HG1 ILE 38 1HG1 ILE 38 -3.208 0.818 -5.833 287 1HG2 ILE 38 1HG2 ILE 38 -0.662 1.516 -3.237 288 2HG2 ILE 38 2HG2 ILE 38 -1.687 2.574 -2.269 289 3HG2 ILE 38 3HG2 ILE 38 -1.079 3.124 -3.829 290 1HD1 ILE 38 1HD1 ILE 38 -1.764 2.099 -7.288 291 2HD1 ILE 38 2HD1 ILE 38 -1.075 2.941 -5.900 292 3HD1 ILE 38 3HD1 ILE 38 -2.772 3.175 -6.322 293 H ASP 39 H ASP 39 -2.557 -0.803 -1.152 294 HA ASP 39 HA ASP 39 -4.557 0.101 0.626 295 1HB ASP 39 2HB ASP 39 -3.516 -2.112 0.785 296 2HB ASP 39 1HB ASP 39 -1.965 -1.371 1.155 297 H HIS 40 H HIS 40 -1.049 0.633 0.602 298 HA HIS 40 HA HIS 40 -1.438 3.257 1.822 299 1HB HIS 40 2HB HIS 40 -1.110 1.859 3.756 300 2HB HIS 40 1HB HIS 40 0.238 1.024 2.996 301 HD1 HIS 40 HD1 HIS 40 -0.528 4.646 3.965 302 HD2 HIS 40 HD2 HIS 40 2.579 1.885 3.974 303 HE1 HIS 40 HE1 HIS 40 1.425 5.825 5.031 304 HE2 HIS 40 HE2 HIS 40 3.226 4.064 5.198 305 H THR 41 H THR 41 0.143 4.721 1.239 306 HA THR 41 HA THR 41 2.348 3.682 -0.406 307 HB THR 41 HB THR 41 0.913 6.277 -0.993 308 HG1 THR 41 HG1 THR 41 0.240 3.679 -1.602 309 1HG2 THR 41 1HG2 THR 41 3.190 6.142 -1.848 310 2HG2 THR 41 2HG2 THR 41 2.031 6.050 -3.176 311 3HG2 THR 41 3HG2 THR 41 2.833 4.589 -2.599 312 H GLY 42 H GLY 42 3.782 3.846 1.322 313 1HA GLY 42 2HA GLY 42 4.157 6.431 2.603 314 2HA GLY 42 1HA GLY 42 5.048 4.951 2.940 315 H VAL 43 H VAL 43 4.599 7.419 0.445 316 HA VAL 43 HA VAL 43 7.406 7.025 -0.336 317 HB VAL 43 HB VAL 43 5.105 8.091 -1.979 318 1HG1 VAL 43 1HG1 VAL 43 8.013 7.796 -2.725 319 2HG1 VAL 43 2HG1 VAL 43 7.147 9.315 -2.496 320 3HG1 VAL 43 3HG1 VAL 43 6.710 8.242 -3.827 321 1HG2 VAL 43 1HG2 VAL 43 5.547 6.138 -3.399 322 2HG2 VAL 43 2HG2 VAL 43 5.094 5.671 -1.759 323 3HG2 VAL 43 3HG2 VAL 43 6.784 5.604 -2.260 324 H SER 44 H SER 44 8.711 8.538 0.369 325 HA SER 44 HA SER 44 7.807 11.119 1.211 326 1HB SER 44 2HB SER 44 10.661 10.346 0.613 327 2HB SER 44 1HB SER 44 10.079 11.546 1.764 328 HG SER 44 HG SER 44 9.890 8.719 1.941 329 H ASP 45 H ASP 45 7.604 12.901 -0.013 330 HA ASP 45 HA ASP 45 8.693 12.820 -2.731 331 1HB ASP 45 2HB ASP 45 6.288 12.665 -2.884 332 2HB ASP 45 1HB ASP 45 6.090 14.041 -1.797 333 H GLU 46 H GLU 46 10.331 14.080 -2.811 334 HA GLU 46 HA GLU 46 10.776 16.249 -1.030 335 1HB GLU 46 2HB GLU 46 12.276 15.548 -3.555 336 2HB GLU 46 1HB GLU 46 12.858 16.553 -2.235 337 1HG GLU 46 2HG GLU 46 12.747 14.607 -0.734 338 2HG GLU 46 1HG GLU 46 12.232 13.611 -2.094 339 H LEU 47 H LEU 47 10.410 16.175 -4.598 340 HA LEU 47 HA LEU 47 9.259 18.867 -4.466 341 1HB LEU 47 2HB LEU 47 11.681 18.091 -6.087 342 2HB LEU 47 1HB LEU 47 10.738 19.532 -6.408 343 HG LEU 47 HG LEU 47 12.195 18.969 -3.823 344 1HD1 LEU 47 1HD1 LEU 47 12.894 20.819 -6.100 345 2HD1 LEU 47 2HD1 LEU 47 13.736 19.326 -5.685 346 3HD1 LEU 47 3HD1 LEU 47 13.756 20.690 -4.567 347 1HD2 LEU 47 1HD2 LEU 47 10.808 21.457 -4.819 348 2HD2 LEU 47 2HD2 LEU 47 11.711 21.307 -3.313 349 3HD2 LEU 47 3HD2 LEU 47 10.222 20.391 -3.541 350 H GLY 48 H GLY 48 8.399 16.013 -5.280 351 1HA GLY 48 2HA GLY 48 6.760 15.326 -6.774 352 2HA GLY 48 1HA GLY 48 6.908 16.867 -7.604 353 H GLY 49 H GLY 49 9.302 17.062 -8.578 354 1HA GLY 49 2HA GLY 49 9.464 15.156 -10.672 355 2HA GLY 49 1HA GLY 49 10.673 16.375 -10.293 356 H GLN 50 H GLN 50 10.911 15.351 -7.539 357 HA GLN 50 HA GLN 50 12.625 13.044 -8.094 358 1HB GLN 50 2HB GLN 50 12.499 14.952 -5.753 359 2HB GLN 50 1HB GLN 50 13.516 13.519 -5.780 360 1HG GLN 50 2HG GLN 50 14.742 14.379 -7.675 361 2HG GLN 50 1HG GLN 50 13.680 15.785 -7.753 362 1HE2 GLN 50 1HE2 GLN 50 13.909 17.415 -6.271 363 2HE2 GLN 50 2HE2 GLN 50 15.274 17.550 -5.211 364 H GLY 51 H GLY 51 9.631 13.127 -7.778 365 1HA GLY 51 2HA GLY 51 9.090 11.687 -5.342 366 2HA GLY 51 1HA GLY 51 7.956 12.005 -6.648 367 H VAL 52 H VAL 52 10.049 9.763 -5.205 368 HA VAL 52 HA VAL 52 10.594 8.019 -7.336 369 HB VAL 52 HB VAL 52 10.243 7.217 -4.441 370 1HG1 VAL 52 1HG1 VAL 52 11.927 5.523 -4.971 371 2HG1 VAL 52 2HG1 VAL 52 11.957 6.080 -6.644 372 3HG1 VAL 52 3HG1 VAL 52 10.492 5.354 -5.983 373 1HG2 VAL 52 1HG2 VAL 52 11.684 9.177 -4.568 374 2HG2 VAL 52 2HG2 VAL 52 12.683 8.376 -5.781 375 3HG2 VAL 52 3HG2 VAL 52 12.610 7.740 -4.137 376 H GLY 53 H GLY 53 7.690 8.664 -5.682 377 1HA GLY 53 2HA GLY 53 6.336 6.239 -5.700 378 2HA GLY 53 1HA GLY 53 5.571 7.813 -5.855 379 H LYS 54 H LYS 54 6.957 8.443 -8.383 380 HA LYS 54 HA LYS 54 5.021 7.398 -10.146 381 1HB LYS 54 2HB LYS 54 7.655 8.752 -10.736 382 2HB LYS 54 1HB LYS 54 6.449 8.365 -11.955 383 1HG LYS 54 2HG LYS 54 4.826 9.772 -10.641 384 2HG LYS 54 1HG LYS 54 6.205 10.306 -9.675 385 1HD LYS 54 2HD LYS 54 7.302 11.145 -11.687 386 2HD LYS 54 1HD LYS 54 5.953 10.575 -12.669 387 1HE LYS 54 2HE LYS 54 5.668 12.920 -12.330 388 2HE LYS 54 1HE LYS 54 4.454 12.084 -11.366 389 1HZ LYS 54 1HZ LYS 54 5.782 12.429 -9.405 390 2HZ LYS 54 2HZ LYS 54 5.522 13.919 -10.169 391 3HZ LYS 54 3HZ LYS 54 7.023 13.145 -10.315 392 H LYS 55 H LYS 55 8.329 6.435 -9.444 393 HA LYS 55 HA LYS 55 8.599 4.575 -11.567 394 1HB LYS 55 2HB LYS 55 10.509 5.538 -10.287 395 2HB LYS 55 1HB LYS 55 10.012 4.594 -8.890 396 1HG LYS 55 2HG LYS 55 10.460 2.536 -10.069 397 2HG LYS 55 1HG LYS 55 10.839 3.431 -11.543 398 1HD LYS 55 2HD LYS 55 12.701 4.538 -10.330 399 2HD LYS 55 1HD LYS 55 12.357 3.512 -8.934 400 1HE LYS 55 2HE LYS 55 12.853 1.528 -10.227 401 2HE LYS 55 1HE LYS 55 13.077 2.496 -11.684 402 1HZ LYS 55 1HZ LYS 55 14.773 2.538 -9.248 403 2HZ LYS 55 2HZ LYS 55 14.939 3.620 -10.540 404 3HZ LYS 55 3HZ LYS 55 15.209 1.963 -10.781 405 H LEU 56 H LEU 56 7.509 4.337 -8.225 406 HA LEU 56 HA LEU 56 7.110 1.533 -8.197 407 1HB LEU 56 2HB LEU 56 5.779 3.703 -6.573 408 2HB LEU 56 1HB LEU 56 5.674 1.986 -6.231 409 HG LEU 56 HG LEU 56 8.218 3.613 -6.180 410 1HD1 LEU 56 1HD1 LEU 56 8.105 3.331 -3.761 411 2HD1 LEU 56 2HD1 LEU 56 6.552 2.511 -3.924 412 3HD1 LEU 56 3HD1 LEU 56 6.701 4.212 -4.366 413 1HD2 LEU 56 1HD2 LEU 56 7.672 0.756 -5.386 414 2HD2 LEU 56 2HD2 LEU 56 9.197 1.615 -5.162 415 3HD2 LEU 56 3HD2 LEU 56 8.599 1.284 -6.789 416 H LEU 57 H LEU 57 4.930 4.266 -8.819 417 HA LEU 57 HA LEU 57 2.574 2.833 -9.233 418 1HB LEU 57 2HB LEU 57 3.583 5.503 -9.946 419 2HB LEU 57 1HB LEU 57 2.304 4.903 -10.983 420 HG LEU 57 HG LEU 57 0.842 4.620 -9.034 421 1HD1 LEU 57 1HD1 LEU 57 1.510 5.572 -6.861 422 2HD1 LEU 57 2HD1 LEU 57 3.149 5.782 -7.479 423 3HD1 LEU 57 3HD1 LEU 57 2.471 4.162 -7.312 424 1HD2 LEU 57 1HD2 LEU 57 2.079 7.360 -9.242 425 2HD2 LEU 57 2HD2 LEU 57 0.501 6.992 -8.545 426 3HD2 LEU 57 3HD2 LEU 57 0.793 6.714 -10.262 427 H LYS 58 H LYS 58 5.082 3.764 -11.575 428 HA LYS 58 HA LYS 58 3.898 2.755 -13.881 429 1HB LYS 58 2HB LYS 58 6.030 4.090 -13.779 430 2HB LYS 58 1HB LYS 58 6.852 2.630 -13.248 431 1HG LYS 58 2HG LYS 58 6.019 1.547 -15.383 432 2HG LYS 58 1HG LYS 58 5.567 3.169 -15.909 433 1HD LYS 58 2HD LYS 58 7.698 2.859 -16.814 434 2HD LYS 58 1HD LYS 58 7.991 3.808 -15.354 435 1HE LYS 58 2HE LYS 58 9.626 2.097 -15.367 436 2HE LYS 58 1HE LYS 58 8.426 1.624 -14.167 437 1HZ LYS 58 1HZ LYS 58 8.665 0.571 -16.937 438 2HZ LYS 58 2HZ LYS 58 7.411 0.173 -15.875 439 3HZ LYS 58 3HZ LYS 58 9.002 -0.271 -15.506 440 H ALA 59 H ALA 59 6.024 1.132 -11.549 441 HA ALA 59 HA ALA 59 6.162 -1.338 -12.878 442 1HB ALA 59 1HB ALA 59 7.745 -0.688 -11.148 443 2HB ALA 59 2HB ALA 59 6.980 -2.227 -10.752 444 3HB ALA 59 3HB ALA 59 6.466 -0.749 -9.937 445 H VAL 60 H VAL 60 3.987 -0.185 -10.317 446 HA VAL 60 HA VAL 60 2.649 -2.639 -9.935 447 HB VAL 60 HB VAL 60 1.669 0.168 -9.393 448 1HG1 VAL 60 1HG1 VAL 60 0.042 -0.860 -7.892 449 2HG1 VAL 60 2HG1 VAL 60 0.576 -2.463 -8.397 450 3HG1 VAL 60 3HG1 VAL 60 -0.204 -1.385 -9.556 451 1HG2 VAL 60 1HG2 VAL 60 3.683 -0.392 -8.158 452 2HG2 VAL 60 2HG2 VAL 60 2.947 -1.893 -7.593 453 3HG2 VAL 60 3HG2 VAL 60 2.297 -0.338 -7.070 454 H VAL 61 H VAL 61 1.741 0.211 -11.889 455 HA VAL 61 HA VAL 61 -0.669 -0.882 -12.867 456 HB VAL 61 HB VAL 61 1.112 1.220 -14.113 457 1HG1 VAL 61 1HG1 VAL 61 -1.752 0.498 -14.726 458 2HG1 VAL 61 2HG1 VAL 61 -0.364 0.274 -15.791 459 3HG1 VAL 61 3HG1 VAL 61 -0.896 1.900 -15.365 460 1HG2 VAL 61 1HG2 VAL 61 0.330 1.857 -11.904 461 2HG2 VAL 61 2HG2 VAL 61 -1.328 1.457 -12.354 462 3HG2 VAL 61 3HG2 VAL 61 -0.503 2.803 -13.138 463 H GLU 62 H GLU 62 2.625 -0.900 -14.145 464 HA GLU 62 HA GLU 62 2.133 -2.126 -16.613 465 1HB GLU 62 2HB GLU 62 4.264 -1.036 -15.807 466 2HB GLU 62 1HB GLU 62 4.578 -2.490 -14.875 467 1HG GLU 62 2HG GLU 62 4.707 -3.801 -16.902 468 2HG GLU 62 1HG GLU 62 4.284 -2.384 -17.867 469 H HIS 63 H HIS 63 2.979 -3.523 -13.470 470 HA HIS 63 HA HIS 63 2.929 -6.227 -14.267 471 1HB HIS 63 2HB HIS 63 3.944 -5.257 -12.155 472 2HB HIS 63 1HB HIS 63 2.312 -5.136 -11.511 473 HD1 HIS 63 HD1 HIS 63 5.154 -7.314 -11.553 474 HD2 HIS 63 HD2 HIS 63 1.024 -7.840 -11.409 475 HE1 HIS 63 HE1 HIS 63 4.790 -9.650 -10.683 476 HE2 HIS 63 HE2 HIS 63 2.290 -9.864 -10.408 477 H ALA 64 H ALA 64 0.460 -4.071 -12.935 478 HA ALA 64 HA ALA 64 -1.520 -6.043 -12.524 479 1HB ALA 64 1HB ALA 64 -1.530 -3.853 -11.419 480 2HB ALA 64 2HB ALA 64 -3.059 -4.203 -12.226 481 3HB ALA 64 3HB ALA 64 -1.907 -3.089 -12.963 482 H ARG 65 H ARG 65 -0.896 -3.856 -15.255 483 HA ARG 65 HA ARG 65 -3.192 -4.437 -16.744 484 1HB ARG 65 2HB ARG 65 -1.730 -2.589 -17.352 485 2HB ARG 65 1HB ARG 65 -0.418 -3.704 -17.707 486 1HG ARG 65 2HG ARG 65 -1.848 -4.694 -19.500 487 2HG ARG 65 1HG ARG 65 -3.005 -3.396 -19.209 488 1HD ARG 65 2HD ARG 65 -0.117 -2.910 -19.899 489 2HD ARG 65 1HD ARG 65 -1.386 -3.039 -21.113 490 HE ARG 65 HE ARG 65 -2.441 -1.115 -19.813 491 1HH1 ARG 65 2HH1 ARG 65 1.017 -1.623 -20.041 492 2HH1 ARG 65 1HH1 ARG 65 1.394 0.077 -19.978 493 1HH2 ARG 65 1HH2 ARG 65 -1.950 1.130 -19.739 494 2HH2 ARG 65 2HH2 ARG 65 -0.279 1.629 -19.791 495 H GLU 66 H GLU 66 -0.006 -5.995 -16.764 496 HA GLU 66 HA GLU 66 -0.678 -7.868 -18.793 497 1HB GLU 66 2HB GLU 66 1.530 -7.973 -16.731 498 2HB GLU 66 1HB GLU 66 1.427 -8.974 -18.171 499 1HG GLU 66 2HG GLU 66 1.797 -5.990 -18.069 500 2HG GLU 66 1HG GLU 66 2.995 -7.195 -18.538 501 H ASN 67 H ASN 67 -1.339 -7.727 -15.428 502 HA ASN 67 HA ASN 67 -1.820 -10.622 -15.296 503 1HB ASN 67 2HB ASN 67 -1.476 -8.510 -13.190 504 2HB ASN 67 1HB ASN 67 -2.286 -10.022 -12.800 505 1HD2 ASN 67 1HD2 ASN 67 0.347 -9.712 -15.079 506 2HD2 ASN 67 2HD2 ASN 67 1.508 -10.603 -14.156 507 H ASN 68 H ASN 68 -3.509 -8.012 -16.227 508 HA ASN 68 HA ASN 68 -5.720 -7.564 -16.532 509 1HB ASN 68 2HB ASN 68 -6.005 -10.425 -15.607 510 2HB ASN 68 1HB ASN 68 -7.368 -9.447 -16.141 511 1HD2 ASN 68 1HD2 ASN 68 -4.491 -11.126 -17.102 512 2HD2 ASN 68 2HD2 ASN 68 -4.776 -11.055 -18.809 513 H LEU 69 H LEU 69 -4.374 -7.051 -13.971 514 HA LEU 69 HA LEU 69 -6.434 -7.405 -11.960 515 1HB LEU 69 2HB LEU 69 -3.771 -5.986 -11.813 516 2HB LEU 69 1HB LEU 69 -4.834 -6.301 -10.455 517 HG LEU 69 HG LEU 69 -3.446 -8.414 -12.114 518 1HD1 LEU 69 1HD1 LEU 69 -1.897 -7.148 -10.714 519 2HD1 LEU 69 2HD1 LEU 69 -2.105 -8.795 -10.116 520 3HD1 LEU 69 3HD1 LEU 69 -2.917 -7.454 -9.307 521 1HD2 LEU 69 1HD2 LEU 69 -5.128 -8.654 -9.623 522 2HD2 LEU 69 2HD2 LEU 69 -4.243 -9.965 -10.401 523 3HD2 LEU 69 3HD2 LEU 69 -5.586 -9.189 -11.240 524 H LYS 70 H LYS 70 -7.624 -5.785 -11.028 525 HA LYS 70 HA LYS 70 -7.711 -3.232 -12.486 526 1HB LYS 70 2HB LYS 70 -9.703 -4.328 -10.488 527 2HB LYS 70 1HB LYS 70 -9.927 -2.944 -11.547 528 1HG LYS 70 2HG LYS 70 -9.865 -4.429 -13.493 529 2HG LYS 70 1HG LYS 70 -9.652 -5.813 -12.420 530 1HD LYS 70 2HD LYS 70 -11.817 -5.231 -11.338 531 2HD LYS 70 1HD LYS 70 -12.036 -3.971 -12.558 532 1HE LYS 70 2HE LYS 70 -11.893 -5.692 -14.315 533 2HE LYS 70 1HE LYS 70 -11.751 -6.927 -13.065 534 1HZ LYS 70 1HZ LYS 70 -13.947 -6.212 -12.232 535 2HZ LYS 70 2HZ LYS 70 -14.002 -6.822 -13.812 536 3HZ LYS 70 3HZ LYS 70 -14.080 -5.147 -13.548 537 H ILE 71 H ILE 71 -7.066 -1.373 -11.488 538 HA ILE 71 HA ILE 71 -6.071 -1.714 -8.748 539 HB ILE 71 HB ILE 71 -5.220 0.255 -10.870 540 1HG1 ILE 71 2HG1 ILE 71 -3.815 -2.101 -9.590 541 2HG1 ILE 71 1HG1 ILE 71 -4.377 -2.000 -11.255 542 1HG2 ILE 71 1HG2 ILE 71 -3.509 0.984 -9.273 543 2HG2 ILE 71 2HG2 ILE 71 -4.211 -0.069 -8.045 544 3HG2 ILE 71 3HG2 ILE 71 -5.136 1.295 -8.671 545 1HD1 ILE 71 1HD1 ILE 71 -2.210 -0.329 -10.008 546 2HD1 ILE 71 2HD1 ILE 71 -2.792 -0.181 -11.665 547 3HD1 ILE 71 3HD1 ILE 71 -1.989 -1.662 -11.143 548 H ILE 72 H ILE 72 -7.292 -0.920 -7.235 549 HA ILE 72 HA ILE 72 -8.349 1.812 -7.599 550 HB ILE 72 HB ILE 72 -9.857 1.317 -5.661 551 1HG1 ILE 72 2HG1 ILE 72 -8.998 -1.547 -6.148 552 2HG1 ILE 72 1HG1 ILE 72 -8.579 -0.585 -4.736 553 1HG2 ILE 72 1HG2 ILE 72 -10.187 -0.379 -8.129 554 2HG2 ILE 72 2HG2 ILE 72 -10.742 1.278 -7.894 555 3HG2 ILE 72 3HG2 ILE 72 -11.467 -0.035 -6.968 556 1HD1 ILE 72 1HD1 ILE 72 -10.376 -2.103 -4.216 557 2HD1 ILE 72 2HD1 ILE 72 -11.340 -1.461 -5.546 558 3HD1 ILE 72 3HD1 ILE 72 -10.964 -0.440 -4.157 559 H ALA 73 H ALA 73 -8.442 2.866 -5.210 560 HA ALA 73 HA ALA 73 -5.979 2.170 -3.795 561 1HB ALA 73 1HB ALA 73 -5.336 3.846 -5.456 562 2HB ALA 73 2HB ALA 73 -5.187 4.477 -3.817 563 3HB ALA 73 3HB ALA 73 -6.556 4.950 -4.820 564 H SER 74 H SER 74 -6.196 2.285 -1.660 565 HA SER 74 HA SER 74 -8.611 3.466 -0.548 566 1HB SER 74 2HB SER 74 -6.378 1.888 0.764 567 2HB SER 74 1HB SER 74 -7.863 2.403 1.566 568 HG SER 74 HG SER 74 -8.852 0.759 0.708 569 H CYS 75 H CYS 75 -5.315 4.201 -1.033 570 HA CYS 75 HA CYS 75 -5.326 6.323 0.958 571 1HB CYS 75 2HB CYS 75 -2.940 6.645 0.040 572 2HB CYS 75 1HB CYS 75 -3.277 5.198 0.986 573 HG CYS 75 HG CYS 75 -3.299 3.442 -1.083 574 H SER 76 H SER 76 -5.681 8.397 0.475 575 HA SER 76 HA SER 76 -6.803 9.131 -1.983 576 1HB SER 76 2HB SER 76 -6.471 11.500 -1.005 577 2HB SER 76 1HB SER 76 -7.487 10.368 -0.109 578 HG SER 76 HG SER 76 -6.132 11.145 1.405 579 H PHE 77 H PHE 77 -3.548 9.403 -0.733 580 HA PHE 77 HA PHE 77 -2.407 11.186 -2.524 581 1HB PHE 77 2HB PHE 77 -1.261 10.313 -0.533 582 2HB PHE 77 1HB PHE 77 -1.159 8.724 -1.276 583 HD1 PHE 77 HD1 PHE 77 -0.203 12.260 -2.010 584 HD2 PHE 77 HD2 PHE 77 0.810 8.137 -2.271 585 HE1 PHE 77 HE1 PHE 77 1.981 12.861 -2.976 586 HE2 PHE 77 HE2 PHE 77 2.992 8.726 -3.239 587 HZ PHE 77 HZ PHE 77 3.578 11.090 -3.593 588 H ALA 78 H ALA 78 -2.533 7.633 -2.798 589 HA ALA 78 HA ALA 78 -1.465 7.584 -5.429 590 1HB ALA 78 1HB ALA 78 -2.189 5.221 -5.410 591 2HB ALA 78 2HB ALA 78 -3.018 5.517 -3.880 592 3HB ALA 78 3HB ALA 78 -1.264 5.667 -3.977 593 H LYS 79 H LYS 79 -4.705 7.576 -4.073 594 HA LYS 79 HA LYS 79 -6.155 6.842 -6.342 595 1HB LYS 79 2HB LYS 79 -7.051 6.924 -4.028 596 2HB LYS 79 1HB LYS 79 -7.028 8.678 -4.105 597 1HG LYS 79 2HG LYS 79 -8.674 8.661 -5.876 598 2HG LYS 79 1HG LYS 79 -8.658 6.895 -5.903 599 1HD LYS 79 2HD LYS 79 -9.430 6.886 -3.553 600 2HD LYS 79 1HD LYS 79 -9.506 8.647 -3.597 601 1HE LYS 79 2HE LYS 79 -11.067 6.837 -5.435 602 2HE LYS 79 1HE LYS 79 -11.699 7.512 -3.936 603 1HZ LYS 79 1HZ LYS 79 -11.413 9.727 -4.809 604 2HZ LYS 79 2HZ LYS 79 -12.345 8.811 -5.890 605 3HZ LYS 79 3HZ LYS 79 -10.716 9.124 -6.236 606 H HIS 80 H HIS 80 -5.147 10.054 -5.216 607 HA HIS 80 HA HIS 80 -6.619 11.398 -7.286 608 1HB HIS 80 2HB HIS 80 -6.148 12.366 -5.017 609 2HB HIS 80 1HB HIS 80 -4.470 12.558 -5.506 610 HD1 HIS 80 HD1 HIS 80 -4.011 14.895 -6.167 611 HD2 HIS 80 HD2 HIS 80 -7.876 13.724 -7.182 612 HE1 HIS 80 HE1 HIS 80 -5.058 16.890 -7.289 613 HE2 HIS 80 HE2 HIS 80 -7.442 16.211 -7.760 614 H MET 81 H MET 81 -3.343 10.212 -6.917 615 HA MET 81 HA MET 81 -2.212 11.767 -9.016 616 1HB MET 81 2HB MET 81 -1.341 9.179 -7.739 617 2HB MET 81 1HB MET 81 -0.449 9.930 -9.054 618 1HG MET 81 2HG MET 81 -0.273 11.986 -7.632 619 2HG MET 81 1HG MET 81 -0.944 11.039 -6.304 620 1HE MET 81 1HE MET 81 0.366 8.171 -6.947 621 2HE MET 81 2HE MET 81 0.242 8.848 -5.323 622 3HE MET 81 3HE MET 81 1.789 8.235 -5.909 623 H LEU 82 H LEU 82 -3.551 8.489 -8.887 624 HA LEU 82 HA LEU 82 -3.151 7.963 -11.659 625 1HB LEU 82 2HB LEU 82 -5.031 6.669 -9.683 626 2HB LEU 82 1HB LEU 82 -4.651 6.043 -11.275 627 HG LEU 82 HG LEU 82 -2.651 6.380 -9.038 628 1HD1 LEU 82 1HD1 LEU 82 -4.013 3.905 -10.093 629 2HD1 LEU 82 2HD1 LEU 82 -4.274 4.646 -8.514 630 3HD1 LEU 82 3HD1 LEU 82 -2.708 3.933 -8.908 631 1HD2 LEU 82 1HD2 LEU 82 -1.174 5.060 -10.467 632 2HD2 LEU 82 2HD2 LEU 82 -1.656 6.558 -11.266 633 3HD2 LEU 82 3HD2 LEU 82 -2.410 5.032 -11.725 634 H GLU 83 H GLU 83 -5.505 9.665 -9.859 635 HA GLU 83 HA GLU 83 -7.723 9.460 -11.590 636 1HB GLU 83 2HB GLU 83 -7.915 10.261 -9.285 637 2HB GLU 83 1HB GLU 83 -6.956 11.679 -9.687 638 1HG GLU 83 2HG GLU 83 -8.734 12.293 -11.341 639 2HG GLU 83 1HG GLU 83 -9.710 10.986 -10.666 640 H LYS 84 H LYS 84 -5.037 11.765 -11.407 641 HA LYS 84 HA LYS 84 -6.130 13.332 -13.578 642 1HB LYS 84 2HB LYS 84 -4.246 14.817 -13.256 643 2HB LYS 84 1HB LYS 84 -4.953 14.435 -11.696 644 1HG LYS 84 2HG LYS 84 -2.721 14.280 -11.210 645 2HG LYS 84 1HG LYS 84 -3.077 12.602 -11.629 646 1HD LYS 84 2HD LYS 84 -2.229 12.982 -13.892 647 2HD LYS 84 1HD LYS 84 -1.896 14.669 -13.494 648 1HE LYS 84 2HE LYS 84 -0.305 13.930 -11.775 649 2HE LYS 84 1HE LYS 84 -0.633 12.253 -12.204 650 1HZ LYS 84 1HZ LYS 84 0.339 12.552 -14.330 651 2HZ LYS 84 2HZ LYS 84 1.414 13.259 -13.216 652 3HZ LYS 84 3HZ LYS 84 0.400 14.239 -14.149 653 H GLU 85 H GLU 85 -4.137 10.619 -13.232 654 HA GLU 85 HA GLU 85 -2.652 11.164 -15.683 655 1HB GLU 85 2HB GLU 85 -1.536 10.303 -13.558 656 2HB GLU 85 1HB GLU 85 -2.328 8.766 -13.884 657 1HG GLU 85 2HG GLU 85 -0.015 8.827 -14.686 658 2HG GLU 85 1HG GLU 85 -1.176 8.573 -15.992 659 H ASP 86 H ASP 86 -4.160 10.865 -17.267 660 HA ASP 86 HA ASP 86 -5.878 8.594 -17.385 661 1HB ASP 86 2HB ASP 86 -6.381 9.371 -19.694 662 2HB ASP 86 1HB ASP 86 -6.560 10.638 -18.488 663 H SER 87 H SER 87 -2.614 8.882 -17.870 664 HA SER 87 HA SER 87 -2.224 7.159 -20.094 665 1HB SER 87 2HB SER 87 -0.323 7.677 -17.797 666 2HB SER 87 1HB SER 87 0.095 7.129 -19.422 667 HG SER 87 HG SER 87 -0.528 9.676 -18.489 668 H TYR 88 H TYR 88 -3.070 6.611 -16.801 669 HA TYR 88 HA TYR 88 -2.415 3.747 -17.057 670 1HB TYR 88 2HB TYR 88 -2.943 5.386 -14.565 671 2HB TYR 88 1HB TYR 88 -2.595 3.662 -14.589 672 HD1 TYR 88 HD1 TYR 88 -0.356 3.361 -16.360 673 HD2 TYR 88 HD2 TYR 88 -1.174 6.506 -13.620 674 HE1 TYR 88 HE1 TYR 88 2.052 3.834 -16.195 675 HE2 TYR 88 HE2 TYR 88 1.229 6.991 -13.448 676 HH TYR 88 HH TYR 88 3.523 5.718 -15.594 677 H GLN 89 H GLN 89 -4.734 5.156 -18.191 678 HA GLN 89 HA GLN 89 -7.027 4.810 -16.557 679 1HB GLN 89 2HB GLN 89 -6.756 6.409 -18.489 680 2HB GLN 89 1HB GLN 89 -6.937 5.033 -19.565 681 1HG GLN 89 2HG GLN 89 -9.174 4.626 -18.661 682 2HG GLN 89 1HG GLN 89 -8.990 6.018 -17.594 683 1HE2 GLN 89 1HE2 GLN 89 -7.534 7.526 -19.662 684 2HE2 GLN 89 2HE2 GLN 89 -8.739 8.056 -20.784 685 H ASP 90 H ASP 90 -5.162 2.541 -18.174 686 HA ASP 90 HA ASP 90 -7.087 0.726 -19.148 687 1HB ASP 90 2HB ASP 90 -4.330 0.159 -18.036 688 2HB ASP 90 1HB ASP 90 -5.304 -0.979 -18.959 689 H VAL 91 H VAL 91 -5.387 0.868 -16.041 690 HA VAL 91 HA VAL 91 -7.105 -1.297 -15.058 691 HB VAL 91 HB VAL 91 -5.429 -1.548 -13.243 692 1HG1 VAL 91 1HG1 VAL 91 -4.319 -1.660 -16.049 693 2HG1 VAL 91 2HG1 VAL 91 -5.259 -2.920 -15.250 694 3HG1 VAL 91 3HG1 VAL 91 -3.652 -2.504 -14.651 695 1HG2 VAL 91 1HG2 VAL 91 -3.261 -0.406 -13.476 696 2HG2 VAL 91 2HG2 VAL 91 -4.580 0.726 -13.174 697 3HG2 VAL 91 3HG2 VAL 91 -3.924 0.550 -14.801 698 H TYR 92 H TYR 92 -6.735 2.045 -14.839 699 HA TYR 92 HA TYR 92 -7.676 2.244 -12.100 700 1HB TYR 92 2HB TYR 92 -6.008 3.855 -13.031 701 2HB TYR 92 1HB TYR 92 -7.247 4.443 -14.135 702 HD1 TYR 92 HD1 TYR 92 -6.649 3.931 -10.486 703 HD2 TYR 92 HD2 TYR 92 -8.521 6.278 -13.502 704 HE1 TYR 92 HE1 TYR 92 -7.378 5.535 -8.773 705 HE2 TYR 92 HE2 TYR 92 -9.255 7.892 -11.798 706 HH TYR 92 HH TYR 92 -7.994 8.005 -8.710 707 H LEU 93 H LEU 93 -9.731 2.333 -11.548 708 HA LEU 93 HA LEU 93 -11.762 2.387 -13.613 709 1HB LEU 93 2HB LEU 93 -12.001 2.056 -10.618 710 2HB LEU 93 1HB LEU 93 -13.323 1.895 -11.758 711 HG LEU 93 HG LEU 93 -10.883 0.118 -11.647 712 1HD1 LEU 93 1HD1 LEU 93 -13.742 -0.423 -10.862 713 2HD1 LEU 93 2HD1 LEU 93 -12.394 -0.198 -9.747 714 3HD1 LEU 93 3HD1 LEU 93 -12.417 -1.585 -10.836 715 1HD2 LEU 93 1HD2 LEU 93 -12.101 -1.260 -13.269 716 2HD2 LEU 93 2HD2 LEU 93 -11.742 0.342 -13.912 717 3HD2 LEU 93 3HD2 LEU 93 -13.369 -0.037 -13.349 718 H GLY 94 H GLY 94 -11.362 4.103 -10.510 719 1HA GLY 94 2HA GLY 94 -11.593 6.362 -10.052 720 2HA GLY 94 1HA GLY 94 -11.885 6.644 -11.762 721 H LEU 95 H LEU 95 -13.585 8.079 -11.223 722 HA LEU 95 HA LEU 95 -16.125 6.742 -10.963 723 1HB LEU 95 2HB LEU 95 -15.472 7.130 -8.610 724 2HB LEU 95 1HB LEU 95 -15.320 8.842 -8.948 725 HG LEU 95 HG LEU 95 -17.737 8.926 -9.483 726 1HD1 LEU 95 1HD1 LEU 95 -19.157 7.035 -8.841 727 2HD1 LEU 95 2HD1 LEU 95 -17.718 6.069 -8.515 728 3HD1 LEU 95 3HD1 LEU 95 -18.061 6.617 -10.156 729 1HD2 LEU 95 1HD2 LEU 95 -16.929 9.509 -7.255 730 2HD2 LEU 95 2HD2 LEU 95 -17.075 7.823 -6.755 731 3HD2 LEU 95 3HD2 LEU 95 -18.517 8.745 -7.181 732 H GLU 96 H GLU 96 -17.735 7.847 -11.974 733 HA GLU 96 HA GLU 96 -17.401 10.638 -12.677 734 1HB GLU 96 2HB GLU 96 -16.266 8.967 -14.404 735 2HB GLU 96 1HB GLU 96 -17.920 8.766 -14.958 736 1HG GLU 96 2HG GLU 96 -16.622 11.461 -14.716 737 2HG GLU 96 1HG GLU 96 -16.498 10.472 -16.168 738 H HIS 97 H HIS 97 -19.406 11.587 -13.364 739 HA HIS 97 HA HIS 97 -21.685 10.063 -12.319 740 1HB HIS 97 2HB HIS 97 -21.036 12.287 -11.315 741 2HB HIS 97 1HB HIS 97 -21.513 13.037 -12.833 742 HD1 HIS 97 HD1 HIS 97 -23.253 10.502 -10.564 743 HD2 HIS 97 HD2 HIS 97 -23.940 14.143 -12.455 744 HE1 HIS 97 HE1 HIS 97 -25.616 11.135 -9.982 745 HE2 HIS 97 HE2 HIS 97 -25.901 13.460 -10.912 746 H HIS 98 H HIS 98 -20.499 9.934 -15.056 747 HA HIS 98 HA HIS 98 -21.271 9.321 -17.081 748 1HB HIS 98 2HB HIS 98 -23.252 8.460 -15.675 749 2HB HIS 98 1HB HIS 98 -24.102 9.896 -16.237 750 HD1 HIS 98 HD1 HIS 98 -25.152 9.773 -18.518 751 HD2 HIS 98 HD2 HIS 98 -22.465 6.679 -17.813 752 HE1 HIS 98 HE1 HIS 98 -25.382 8.213 -20.477 753 HE2 HIS 98 HE2 HIS 98 -23.608 6.453 -20.123 754 H HIS 99 H HIS 99 -20.971 12.242 -16.107 755 HA HIS 99 HA HIS 99 -22.391 13.521 -18.334 756 1HB HIS 99 2HB HIS 99 -22.356 14.579 -16.006 757 2HB HIS 99 1HB HIS 99 -20.648 14.903 -16.281 758 HD1 HIS 99 HD1 HIS 99 -20.999 17.459 -16.251 759 HD2 HIS 99 HD2 HIS 99 -23.187 15.480 -19.190 760 HE1 HIS 99 HE1 HIS 99 -21.879 19.259 -17.773 761 HE2 HIS 99 HE2 HIS 99 -23.016 18.023 -19.657 762 H HIS 100 H HIS 100 -20.908 11.998 -19.573 763 HA HIS 100 HA HIS 100 -18.258 13.207 -19.928 764 1HB HIS 100 2HB HIS 100 -18.241 11.042 -18.654 765 2HB HIS 100 1HB HIS 100 -18.893 10.256 -20.086 766 HD1 HIS 100 HD1 HIS 100 -15.789 12.061 -18.907 767 HD2 HIS 100 HD2 HIS 100 -17.021 9.494 -21.932 768 HE1 HIS 100 HE1 HIS 100 -13.684 11.342 -20.080 769 HE2 HIS 100 HE2 HIS 100 -14.448 9.569 -21.706 770 H HIS 101 H HIS 101 -19.926 14.259 -21.611 771 HA HIS 101 HA HIS 101 -19.863 12.844 -24.117 772 1HB HIS 101 2HB HIS 101 -21.371 14.859 -23.559 773 2HB HIS 101 1HB HIS 101 -19.937 15.852 -23.794 774 HD1 HIS 101 HD1 HIS 101 -20.861 17.050 -25.858 775 HD2 HIS 101 HD2 HIS 101 -20.729 12.909 -26.263 776 HE1 HIS 101 HE1 HIS 101 -21.317 16.586 -28.289 777 HE2 HIS 101 HE2 HIS 101 -21.389 14.072 -28.479 778 H HIS 102 HN HIS 102 -17.932 15.147 -22.350 779 HA HIS 102 HA HIS 102 -15.577 13.774 -23.258 780 1HB HIS 102 2HB HIS 102 -15.737 15.645 -24.902 781 2HB HIS 102 1HB HIS 102 -15.716 16.786 -23.557 782 HD1 HIS 102 HD1 HIS 102 -13.468 17.514 -22.735 783 HD2 HIS 102 HD2 HIS 102 -13.264 14.061 -25.047 784 HE1 HIS 102 HE1 HIS 102 -11.020 17.017 -23.000 785 HE2 HIS 102 HE2 HIS 102 -10.940 14.785 -24.165 Start of MODEL 2 1 1H MET 1 1H MET 1 24.377 8.088 -8.667 2 2H MET 1 2H MET 1 25.305 9.218 -7.814 3 3H MET 1 3H MET 1 24.248 9.739 -9.038 4 HA MET 1 HA MET 1 23.511 8.519 -6.445 5 1HB MET 1 2HB MET 1 23.091 11.291 -7.579 6 2HB MET 1 1HB MET 1 22.326 10.700 -6.111 7 1HG MET 1 2HG MET 1 24.579 10.341 -5.146 8 2HG MET 1 1HG MET 1 25.269 11.086 -6.588 9 1HE MET 1 1HE MET 1 23.034 11.597 -3.420 10 2HE MET 1 2HE MET 1 21.936 12.095 -4.707 11 3HE MET 1 3HE MET 1 22.553 13.288 -3.568 12 H SER 2 H SER 2 21.590 7.613 -6.296 13 HA SER 2 HA SER 2 19.350 8.323 -7.893 14 1HB SER 2 2HB SER 2 20.733 6.960 -9.531 15 2HB SER 2 1HB SER 2 20.497 5.575 -8.467 16 HG SER 2 HG SER 2 18.538 7.054 -9.900 17 H ASN 3 H ASN 3 20.305 5.108 -6.764 18 HA ASN 3 HA ASN 3 19.660 3.790 -5.054 19 1HB ASN 3 2HB ASN 3 19.204 6.472 -3.759 20 2HB ASN 3 1HB ASN 3 18.936 4.956 -2.906 21 1HD2 ASN 3 1HD2 ASN 3 20.525 5.277 -1.425 22 2HD2 ASN 3 2HD2 ASN 3 22.215 5.254 -1.816 23 H LEU 4 H LEU 4 17.652 4.962 -7.055 24 HA LEU 4 HA LEU 4 15.155 4.645 -5.616 25 1HB LEU 4 2HB LEU 4 15.639 4.948 -8.584 26 2HB LEU 4 1HB LEU 4 14.089 5.063 -7.774 27 HG LEU 4 HG LEU 4 16.403 6.980 -7.497 28 1HD1 LEU 4 1HD1 LEU 4 14.851 8.570 -8.528 29 2HD1 LEU 4 2HD1 LEU 4 13.668 7.275 -8.723 30 3HD1 LEU 4 3HD1 LEU 4 15.204 7.206 -9.588 31 1HD2 LEU 4 1HD2 LEU 4 13.693 7.027 -6.169 32 2HD2 LEU 4 2HD2 LEU 4 14.911 8.300 -6.083 33 3HD2 LEU 4 3HD2 LEU 4 15.235 6.721 -5.368 34 H GLU 5 H GLU 5 16.821 2.471 -5.423 35 HA GLU 5 HA GLU 5 16.000 0.427 -7.304 36 1HB GLU 5 2HB GLU 5 18.307 0.515 -6.395 37 2HB GLU 5 1HB GLU 5 17.662 0.247 -4.782 38 1HG GLU 5 2HG GLU 5 16.643 -1.897 -5.840 39 2HG GLU 5 1HG GLU 5 17.879 -1.646 -7.075 40 H ILE 6 H ILE 6 14.312 -0.880 -7.002 41 HA ILE 6 HA ILE 6 12.650 -0.475 -4.677 42 HB ILE 6 HB ILE 6 12.177 -2.286 -7.051 43 1HG1 ILE 6 2HG1 ILE 6 11.173 0.526 -6.548 44 2HG1 ILE 6 1HG1 ILE 6 12.440 0.098 -7.690 45 1HG2 ILE 6 1HG2 ILE 6 10.283 -1.221 -4.957 46 2HG2 ILE 6 2HG2 ILE 6 10.840 -2.887 -5.106 47 3HG2 ILE 6 3HG2 ILE 6 9.824 -2.182 -6.364 48 1HD1 ILE 6 1HD1 ILE 6 9.567 -0.793 -7.829 49 2HD1 ILE 6 2HD1 ILE 6 10.838 -1.220 -8.975 50 3HD1 ILE 6 3HD1 ILE 6 10.322 0.458 -8.817 51 H LYS 7 H LYS 7 12.688 -1.679 -2.924 52 HA LYS 7 HA LYS 7 13.758 -4.413 -3.020 53 1HB LYS 7 2HB LYS 7 13.006 -2.631 -0.685 54 2HB LYS 7 1HB LYS 7 13.635 -4.264 -0.532 55 1HG LYS 7 2HG LYS 7 15.229 -2.271 -2.059 56 2HG LYS 7 1HG LYS 7 15.191 -2.160 -0.299 57 1HD LYS 7 2HD LYS 7 15.996 -4.432 -0.102 58 2HD LYS 7 1HD LYS 7 15.924 -4.641 -1.853 59 1HE LYS 7 2HE LYS 7 18.211 -4.206 -0.977 60 2HE LYS 7 1HE LYS 7 17.671 -3.039 -2.181 61 1HZ LYS 7 1HZ LYS 7 17.632 -2.605 0.762 62 2HZ LYS 7 2HZ LYS 7 17.171 -1.481 -0.417 63 3HZ LYS 7 3HZ LYS 7 18.787 -1.977 -0.306 64 H GLN 8 H GLN 8 12.413 -6.186 -2.526 65 HA GLN 8 HA GLN 8 9.556 -5.486 -2.618 66 1HB GLN 8 2HB GLN 8 9.160 -7.682 -3.629 67 2HB GLN 8 1HB GLN 8 10.283 -6.722 -4.580 68 1HG GLN 8 2HG GLN 8 12.137 -8.003 -3.837 69 2HG GLN 8 1HG GLN 8 11.161 -8.828 -2.625 70 1HE2 GLN 8 1HE2 GLN 8 12.769 -9.866 -4.869 71 2HE2 GLN 8 2HE2 GLN 8 11.681 -10.841 -5.799 72 H GLY 9 H GLY 9 8.105 -6.396 -1.304 73 1HA GLY 9 2HA GLY 9 8.957 -8.479 0.577 74 2HA GLY 9 1HA GLY 9 8.209 -7.012 1.207 75 H GLU 10 H GLU 10 6.745 -8.982 1.939 76 HA GLU 10 HA GLU 10 4.993 -10.022 -0.071 77 1HB GLU 10 2HB GLU 10 5.442 -11.229 2.035 78 2HB GLU 10 1HB GLU 10 4.626 -9.952 2.930 79 1HG GLU 10 2HG GLU 10 2.546 -10.454 1.761 80 2HG GLU 10 1HG GLU 10 3.361 -11.730 0.858 81 H ASN 11 H ASN 11 3.604 -8.831 -1.124 82 HA ASN 11 HA ASN 11 1.876 -7.457 -1.612 83 1HB ASN 11 2HB ASN 11 1.466 -7.542 1.374 84 2HB ASN 11 1HB ASN 11 0.401 -6.654 0.292 85 1HD2 ASN 11 1HD2 ASN 11 -0.890 -7.785 -1.166 86 2HD2 ASN 11 2HD2 ASN 11 -1.219 -9.478 -0.970 87 H LYS 12 H LYS 12 4.655 -6.434 -0.669 88 HA LYS 12 HA LYS 12 3.886 -3.637 -0.890 89 1HB LYS 12 2HB LYS 12 5.273 -2.916 0.989 90 2HB LYS 12 1HB LYS 12 3.976 -3.974 1.521 91 1HG LYS 12 2HG LYS 12 5.446 -5.759 1.919 92 2HG LYS 12 1HG LYS 12 6.750 -4.992 1.008 93 1HD LYS 12 2HD LYS 12 7.142 -4.833 3.421 94 2HD LYS 12 1HD LYS 12 6.912 -3.238 2.705 95 1HE LYS 12 2HE LYS 12 4.548 -3.305 3.453 96 2HE LYS 12 1HE LYS 12 4.881 -4.836 4.261 97 1HZ LYS 12 1HZ LYS 12 4.999 -2.938 5.778 98 2HZ LYS 12 2HZ LYS 12 6.246 -2.259 4.853 99 3HZ LYS 12 3HZ LYS 12 6.493 -3.734 5.662 100 H PHE 13 H PHE 13 5.349 -2.353 -1.862 101 HA PHE 13 HA PHE 13 8.043 -3.442 -2.362 102 1HB PHE 13 2HB PHE 13 6.324 -1.779 -4.227 103 2HB PHE 13 1HB PHE 13 8.032 -2.109 -4.492 104 HD1 PHE 13 HD1 PHE 13 8.754 -4.529 -4.734 105 HD2 PHE 13 HD2 PHE 13 4.696 -3.275 -4.957 106 HE1 PHE 13 HE1 PHE 13 8.181 -6.613 -5.913 107 HE2 PHE 13 HE2 PHE 13 4.115 -5.355 -6.133 108 HZ PHE 13 HZ PHE 13 5.856 -7.027 -6.611 109 H TYR 14 H TYR 14 9.665 -2.141 -1.677 110 HA TYR 14 HA TYR 14 8.960 0.628 -1.041 111 1HB TYR 14 2HB TYR 14 10.082 0.465 1.144 112 2HB TYR 14 1HB TYR 14 8.688 -0.598 1.038 113 HD1 TYR 14 HD1 TYR 14 9.109 -3.080 0.599 114 HD2 TYR 14 HD2 TYR 14 12.194 -0.374 1.729 115 HE1 TYR 14 HE1 TYR 14 10.502 -4.975 1.319 116 HE2 TYR 14 HE2 TYR 14 13.594 -2.261 2.450 117 HH TYR 14 HH TYR 14 13.262 -4.618 3.206 118 H ILE 15 H ILE 15 10.369 2.040 -1.697 119 HA ILE 15 HA ILE 15 12.988 1.174 -2.627 120 HB ILE 15 HB ILE 15 11.654 3.888 -2.745 121 1HG1 ILE 15 2HG1 ILE 15 12.148 1.810 -4.891 122 2HG1 ILE 15 1HG1 ILE 15 10.588 2.192 -4.172 123 1HG2 ILE 15 1HG2 ILE 15 13.471 4.528 -4.256 124 2HG2 ILE 15 2HG2 ILE 15 14.239 2.962 -3.994 125 3HG2 ILE 15 3HG2 ILE 15 14.081 4.101 -2.657 126 1HD1 ILE 15 1HD1 ILE 15 10.811 3.220 -6.352 127 2HD1 ILE 15 2HD1 ILE 15 12.278 4.049 -5.832 128 3HD1 ILE 15 3HD1 ILE 15 10.727 4.453 -5.096 129 H GLY 16 H GLY 16 14.621 1.137 -1.269 130 1HA GLY 16 2HA GLY 16 15.588 3.200 0.258 131 2HA GLY 16 1HA GLY 16 14.488 2.330 1.320 132 H ASP 17 H ASP 17 16.972 2.389 2.158 133 HA ASP 17 HA ASP 17 18.588 0.264 1.106 134 1HB ASP 17 2HB ASP 17 18.817 2.010 3.557 135 2HB ASP 17 1HB ASP 17 19.965 0.725 3.202 136 H ASP 18 H ASP 18 16.664 0.755 4.033 137 HA ASP 18 HA ASP 18 16.808 -2.148 4.541 138 1HB ASP 18 2HB ASP 18 18.182 -0.636 6.098 139 2HB ASP 18 1HB ASP 18 16.641 -0.033 6.695 140 H GLU 19 H GLU 19 14.960 -2.883 5.974 141 HA GLU 19 HA GLU 19 12.447 -1.936 5.027 142 1HB GLU 19 2HB GLU 19 13.118 -3.722 7.375 143 2HB GLU 19 1HB GLU 19 11.495 -3.450 6.756 144 1HG GLU 19 2HG GLU 19 12.093 -4.459 4.649 145 2HG GLU 19 1HG GLU 19 13.759 -4.658 5.192 146 H ASN 20 H ASN 20 14.469 -1.302 7.784 147 HA ASN 20 HA ASN 20 12.467 0.350 9.096 148 1HB ASN 20 2HB ASN 20 15.363 -0.226 9.758 149 2HB ASN 20 1HB ASN 20 14.304 0.782 10.740 150 1HD2 ASN 20 1HD2 ASN 20 12.642 -0.176 11.902 151 2HD2 ASN 20 2HD2 ASN 20 12.579 -1.880 12.198 152 H ASN 21 H ASN 21 13.997 0.841 6.397 153 HA ASN 21 HA ASN 21 14.117 3.712 6.767 154 1HB ASN 21 2HB ASN 21 16.437 2.983 7.236 155 2HB ASN 21 1HB ASN 21 16.497 2.195 5.664 156 1HD2 ASN 21 1HD2 ASN 21 14.933 5.286 6.246 157 2HD2 ASN 21 2HD2 ASN 21 16.071 6.226 5.343 158 H ALA 22 H ALA 22 12.143 3.052 5.529 159 HA ALA 22 HA ALA 22 12.726 2.727 2.659 160 1HB ALA 22 1HB ALA 22 10.398 2.041 2.418 161 2HB ALA 22 2HB ALA 22 10.126 2.327 4.137 162 3HB ALA 22 3HB ALA 22 11.221 1.046 3.619 163 H LEU 23 H LEU 23 12.515 4.432 1.385 164 HA LEU 23 HA LEU 23 11.419 6.889 2.505 165 1HB LEU 23 2HB LEU 23 12.937 6.338 -0.046 166 2HB LEU 23 1HB LEU 23 12.335 7.920 0.407 167 HG LEU 23 HG LEU 23 13.754 7.642 2.531 168 1HD1 LEU 23 1HD1 LEU 23 15.055 5.556 0.793 169 2HD1 LEU 23 2HD1 LEU 23 14.232 5.273 2.328 170 3HD1 LEU 23 3HD1 LEU 23 15.725 6.211 2.287 171 1HD2 LEU 23 1HD2 LEU 23 14.294 9.238 0.801 172 2HD2 LEU 23 2HD2 LEU 23 15.046 7.972 -0.170 173 3HD2 LEU 23 3HD2 LEU 23 15.769 8.452 1.365 174 H ALA 24 H ALA 24 10.621 4.418 0.273 175 HA ALA 24 HA ALA 24 8.058 5.711 -0.257 176 1HB ALA 24 1HB ALA 24 9.823 4.657 -2.465 177 2HB ALA 24 2HB ALA 24 9.495 6.358 -2.135 178 3HB ALA 24 3HB ALA 24 8.188 5.291 -2.651 179 H GLU 25 H GLU 25 6.825 4.216 0.729 180 HA GLU 25 HA GLU 25 7.203 1.391 -0.038 181 1HB GLU 25 2HB GLU 25 7.712 1.750 2.318 182 2HB GLU 25 1HB GLU 25 6.160 2.536 2.560 183 1HG GLU 25 2HG GLU 25 5.041 0.404 1.983 184 2HG GLU 25 1HG GLU 25 6.627 -0.359 1.881 185 H ILE 26 H ILE 26 5.631 0.597 -1.256 186 HA ILE 26 HA ILE 26 2.907 1.674 -0.916 187 HB ILE 26 HB ILE 26 3.778 2.414 -3.057 188 1HG1 ILE 26 2HG1 ILE 26 1.821 0.141 -3.445 189 2HG1 ILE 26 1HG1 ILE 26 1.394 1.757 -2.892 190 1HG2 ILE 26 1HG2 ILE 26 4.267 -0.498 -3.662 191 2HG2 ILE 26 2HG2 ILE 26 5.501 0.733 -3.401 192 3HG2 ILE 26 3HG2 ILE 26 4.442 0.831 -4.809 193 1HD1 ILE 26 1HD1 ILE 26 2.578 1.059 -5.568 194 2HD1 ILE 26 2HD1 ILE 26 2.151 2.680 -5.019 195 3HD1 ILE 26 3HD1 ILE 26 0.892 1.464 -5.246 196 H THR 27 H THR 27 1.289 0.223 -0.640 197 HA THR 27 HA THR 27 2.019 -2.632 -0.720 198 HB THR 27 HB THR 27 0.320 -2.947 1.072 199 HG1 THR 27 HG1 THR 27 -0.942 -1.322 1.582 200 1HG2 THR 27 1HG2 THR 27 1.637 -1.952 2.901 201 2HG2 THR 27 2HG2 THR 27 2.498 -0.956 1.729 202 3HG2 THR 27 3HG2 THR 27 2.671 -2.710 1.692 203 H TYR 28 H TYR 28 0.317 -4.120 -1.277 204 HA TYR 28 HA TYR 28 -2.199 -3.047 -2.203 205 1HB TYR 28 2HB TYR 28 -2.090 -3.882 -4.455 206 2HB TYR 28 1HB TYR 28 -0.695 -2.843 -4.196 207 HD1 TYR 28 HD1 TYR 28 1.562 -3.849 -3.957 208 HD2 TYR 28 HD2 TYR 28 -1.840 -6.200 -4.950 209 HE1 TYR 28 HE1 TYR 28 3.041 -5.649 -4.734 210 HE2 TYR 28 HE2 TYR 28 -0.373 -8.010 -5.723 211 HH TYR 28 HH TYR 28 2.909 -8.148 -5.052 212 H ARG 29 H ARG 29 -3.833 -4.533 -2.174 213 HA ARG 29 HA ARG 29 -3.105 -7.283 -1.416 214 1HB ARG 29 2HB ARG 29 -3.797 -5.995 0.573 215 2HB ARG 29 1HB ARG 29 -5.321 -5.610 -0.212 216 1HG ARG 29 2HG ARG 29 -5.857 -8.017 -0.274 217 2HG ARG 29 1HG ARG 29 -4.364 -8.339 0.609 218 1HD ARG 29 2HD ARG 29 -6.247 -8.300 2.132 219 2HD ARG 29 1HD ARG 29 -5.168 -6.944 2.458 220 HE ARG 29 HE ARG 29 -6.779 -5.479 1.537 221 1HH1 ARG 29 2HH1 ARG 29 -7.861 -8.798 1.644 222 2HH1 ARG 29 1HH1 ARG 29 -9.545 -8.398 1.522 223 1HH2 ARG 29 1HH2 ARG 29 -9.014 -4.932 1.436 224 2HH2 ARG 29 2HH2 ARG 29 -10.199 -6.200 1.475 225 H PHE 30 H PHE 30 -4.602 -8.902 -2.063 226 HA PHE 30 HA PHE 30 -6.104 -8.198 -4.443 227 1HB PHE 30 2HB PHE 30 -5.520 -10.842 -3.098 228 2HB PHE 30 1HB PHE 30 -6.540 -10.695 -4.523 229 HD1 PHE 30 HD1 PHE 30 -5.615 -10.633 -6.656 230 HD2 PHE 30 HD2 PHE 30 -3.101 -10.062 -3.269 231 HE1 PHE 30 HE1 PHE 30 -3.634 -10.777 -8.107 232 HE2 PHE 30 HE2 PHE 30 -1.115 -10.200 -4.715 233 HZ PHE 30 HZ PHE 30 -1.380 -10.555 -7.138 234 H VAL 31 H VAL 31 -7.954 -7.133 -3.895 235 HA VAL 31 HA VAL 31 -9.573 -7.967 -1.675 236 HB VAL 31 HB VAL 31 -11.248 -6.321 -2.612 237 1HG1 VAL 31 1HG1 VAL 31 -9.936 -4.367 -1.937 238 2HG1 VAL 31 2HG1 VAL 31 -8.465 -5.336 -2.025 239 3HG1 VAL 31 3HG1 VAL 31 -9.708 -5.727 -0.837 240 1HG2 VAL 31 1HG2 VAL 31 -10.538 -6.384 -4.948 241 2HG2 VAL 31 2HG2 VAL 31 -8.985 -5.679 -4.498 242 3HG2 VAL 31 3HG2 VAL 31 -10.468 -4.744 -4.303 243 H ASP 32 H ASP 32 -9.697 -8.352 -5.184 244 HA ASP 32 HA ASP 32 -11.501 -10.586 -4.824 245 1HB ASP 32 2HB ASP 32 -13.012 -8.625 -5.040 246 2HB ASP 32 1HB ASP 32 -12.301 -8.290 -6.616 247 H ASN 33 H ASN 33 -9.486 -11.521 -5.496 248 HA ASN 33 HA ASN 33 -8.148 -12.605 -6.954 249 1HB ASN 33 2HB ASN 33 -10.312 -13.670 -7.404 250 2HB ASN 33 1HB ASN 33 -10.631 -12.491 -8.670 251 1HD2 ASN 33 1HD2 ASN 33 -10.782 -14.021 -10.269 252 2HD2 ASN 33 2HD2 ASN 33 -9.415 -14.913 -10.852 253 H ASN 34 H ASN 34 -9.960 -10.967 -9.501 254 HA ASN 34 HA ASN 34 -7.466 -10.247 -10.793 255 1HB ASN 34 2HB ASN 34 -8.713 -9.787 -12.717 256 2HB ASN 34 1HB ASN 34 -9.614 -11.094 -11.966 257 1HD2 ASN 34 1HD2 ASN 34 -10.947 -9.540 -9.956 258 2HD2 ASN 34 2HD2 ASN 34 -12.072 -8.512 -10.772 259 H GLU 35 H GLU 35 -8.884 -8.894 -8.311 260 HA GLU 35 HA GLU 35 -8.527 -6.127 -9.256 261 1HB GLU 35 2HB GLU 35 -10.916 -6.876 -8.859 262 2HB GLU 35 1HB GLU 35 -10.498 -7.044 -7.163 263 1HG GLU 35 2HG GLU 35 -10.042 -4.687 -6.994 264 2HG GLU 35 1HG GLU 35 -10.314 -4.482 -8.728 265 H ILE 36 H ILE 36 -6.969 -5.088 -8.202 266 HA ILE 36 HA ILE 36 -6.224 -6.041 -5.515 267 HB ILE 36 HB ILE 36 -3.909 -5.176 -6.031 268 1HG1 ILE 36 2HG1 ILE 36 -4.966 -5.218 -8.867 269 2HG1 ILE 36 1HG1 ILE 36 -4.427 -3.797 -7.982 270 1HG2 ILE 36 1HG2 ILE 36 -3.261 -7.202 -7.271 271 2HG2 ILE 36 2HG2 ILE 36 -4.964 -7.510 -7.608 272 3HG2 ILE 36 3HG2 ILE 36 -4.375 -7.531 -5.946 273 1HD1 ILE 36 1HD1 ILE 36 -2.705 -6.121 -8.835 274 2HD1 ILE 36 2HD1 ILE 36 -2.155 -4.729 -7.903 275 3HD1 ILE 36 3HD1 ILE 36 -2.732 -4.513 -9.555 276 H ASN 37 H ASN 37 -6.101 -4.611 -3.918 277 HA ASN 37 HA ASN 37 -6.753 -1.820 -4.559 278 1HB ASN 37 2HB ASN 37 -7.665 -1.587 -2.406 279 2HB ASN 37 1HB ASN 37 -8.149 -3.209 -2.882 280 1HD2 ASN 37 1HD2 ASN 37 -6.157 -1.309 -0.775 281 2HD2 ASN 37 2HD2 ASN 37 -5.661 -2.593 0.274 282 H ILE 38 H ILE 38 -5.476 -0.149 -3.923 283 HA ILE 38 HA ILE 38 -2.974 -0.841 -2.526 284 HB ILE 38 HB ILE 38 -3.529 1.453 -4.429 285 1HG1 ILE 38 2HG1 ILE 38 -1.442 0.433 -5.543 286 2HG1 ILE 38 1HG1 ILE 38 -1.746 -0.976 -4.533 287 1HG2 ILE 38 1HG2 ILE 38 -1.214 2.164 -4.029 288 2HG2 ILE 38 2HG2 ILE 38 -1.078 0.958 -2.748 289 3HG2 ILE 38 3HG2 ILE 38 -2.216 2.296 -2.583 290 1HD1 ILE 38 1HD1 ILE 38 -3.937 -1.241 -5.559 291 2HD1 ILE 38 2HD1 ILE 38 -2.649 -1.266 -6.763 292 3HD1 ILE 38 3HD1 ILE 38 -3.640 0.179 -6.561 293 H ASP 39 H ASP 39 -3.235 -0.444 -0.431 294 HA ASP 39 HA ASP 39 -5.071 1.673 0.387 295 1HB ASP 39 2HB ASP 39 -4.663 0.566 2.711 296 2HB ASP 39 1HB ASP 39 -5.692 -0.236 1.537 297 H HIS 40 H HIS 40 -1.815 0.511 1.198 298 HA HIS 40 HA HIS 40 -1.292 3.098 2.473 299 1HB HIS 40 2HB HIS 40 -0.900 1.283 3.962 300 2HB HIS 40 1HB HIS 40 -0.026 0.374 2.742 301 HD1 HIS 40 HD1 HIS 40 0.386 3.160 5.206 302 HD2 HIS 40 HD2 HIS 40 2.669 0.959 2.518 303 HE1 HIS 40 HE1 HIS 40 2.786 3.708 5.739 304 HE2 HIS 40 HE2 HIS 40 4.121 2.092 4.329 305 H THR 41 H THR 41 -0.078 4.538 1.489 306 HA THR 41 HA THR 41 2.175 3.651 -0.132 307 HB THR 41 HB THR 41 0.225 5.739 -1.134 308 HG1 THR 41 HG1 THR 41 0.288 3.004 -1.395 309 1HG2 THR 41 1HG2 THR 41 2.632 4.461 -2.439 310 2HG2 THR 41 2HG2 THR 41 2.536 6.120 -1.850 311 3HG2 THR 41 3HG2 THR 41 1.531 5.607 -3.205 312 H GLY 42 H GLY 42 3.725 4.426 1.160 313 1HA GLY 42 2HA GLY 42 3.527 7.247 2.024 314 2HA GLY 42 1HA GLY 42 4.379 5.999 2.924 315 H VAL 43 H VAL 43 4.555 8.323 0.434 316 HA VAL 43 HA VAL 43 7.316 7.494 -0.174 317 HB VAL 43 HB VAL 43 5.411 8.987 -1.990 318 1HG1 VAL 43 1HG1 VAL 43 7.144 8.709 -3.698 319 2HG1 VAL 43 2HG1 VAL 43 8.203 7.967 -2.499 320 3HG1 VAL 43 3HG1 VAL 43 7.727 9.657 -2.328 321 1HG2 VAL 43 1HG2 VAL 43 6.401 6.140 -2.117 322 2HG2 VAL 43 2HG2 VAL 43 5.470 6.948 -3.378 323 3HG2 VAL 43 3HG2 VAL 43 4.750 6.666 -1.793 324 H SER 44 H SER 44 8.845 8.896 0.387 325 HA SER 44 HA SER 44 8.211 11.414 1.566 326 1HB SER 44 2HB SER 44 10.916 10.418 0.653 327 2HB SER 44 1HB SER 44 10.598 11.671 1.849 328 HG SER 44 HG SER 44 9.577 9.067 2.202 329 H ASP 45 H ASP 45 8.184 13.387 0.676 330 HA ASP 45 HA ASP 45 8.672 13.512 -2.228 331 1HB ASP 45 2HB ASP 45 6.876 15.154 -2.388 332 2HB ASP 45 1HB ASP 45 6.280 13.679 -1.638 333 H GLU 46 H GLU 46 10.066 14.348 0.508 334 HA GLU 46 HA GLU 46 10.559 17.098 0.375 335 1HB GLU 46 2HB GLU 46 12.395 14.928 1.402 336 2HB GLU 46 1HB GLU 46 12.561 16.644 1.733 337 1HG GLU 46 2HG GLU 46 11.552 15.896 3.643 338 2HG GLU 46 1HG GLU 46 10.163 16.426 2.696 339 H LEU 47 H LEU 47 11.855 14.479 -1.481 340 HA LEU 47 HA LEU 47 14.222 15.663 -2.411 341 1HB LEU 47 2HB LEU 47 12.387 13.664 -3.730 342 2HB LEU 47 1HB LEU 47 13.974 14.091 -4.340 343 HG LEU 47 HG LEU 47 13.429 12.806 -1.662 344 1HD1 LEU 47 1HD1 LEU 47 12.964 11.312 -3.541 345 2HD1 LEU 47 2HD1 LEU 47 14.397 10.808 -2.648 346 3HD1 LEU 47 3HD1 LEU 47 14.569 11.636 -4.196 347 1HD2 LEU 47 1HD2 LEU 47 16.022 13.384 -3.092 348 2HD2 LEU 47 2HD2 LEU 47 15.849 12.514 -1.567 349 3HD2 LEU 47 3HD2 LEU 47 15.420 14.221 -1.661 350 H GLY 48 H GLY 48 10.901 15.778 -3.634 351 1HA GLY 48 2HA GLY 48 9.900 17.522 -4.806 352 2HA GLY 48 1HA GLY 48 11.473 18.292 -4.956 353 H GLY 49 H GLY 49 12.416 15.509 -5.929 354 1HA GLY 49 2HA GLY 49 11.238 15.540 -8.610 355 2HA GLY 49 1HA GLY 49 12.973 15.796 -8.460 356 H GLN 50 H GLN 50 13.332 13.909 -9.694 357 HA GLN 50 HA GLN 50 13.923 11.751 -9.974 358 1HB GLN 50 2HB GLN 50 13.612 11.853 -7.021 359 2HB GLN 50 1HB GLN 50 13.648 10.266 -7.771 360 1HG GLN 50 2HG GLN 50 15.851 10.879 -7.028 361 2HG GLN 50 1HG GLN 50 15.811 10.805 -8.787 362 1HE2 GLN 50 1HE2 GLN 50 17.600 12.111 -9.008 363 2HE2 GLN 50 2HE2 GLN 50 17.556 13.810 -8.695 364 H GLY 51 H GLY 51 12.961 9.916 -10.714 365 1HA GLY 51 2HA GLY 51 10.076 9.957 -10.793 366 2HA GLY 51 1HA GLY 51 11.130 8.828 -11.633 367 H VAL 52 H VAL 52 10.731 9.594 -8.189 368 HA VAL 52 HA VAL 52 11.055 6.911 -7.358 369 HB VAL 52 HB VAL 52 9.691 9.103 -5.788 370 1HG1 VAL 52 1HG1 VAL 52 10.609 7.904 -3.845 371 2HG1 VAL 52 2HG1 VAL 52 11.228 6.658 -4.931 372 3HG1 VAL 52 3HG1 VAL 52 9.490 6.917 -4.784 373 1HG2 VAL 52 1HG2 VAL 52 11.803 9.950 -6.655 374 2HG2 VAL 52 2HG2 VAL 52 12.643 8.536 -6.017 375 3HG2 VAL 52 3HG2 VAL 52 11.898 9.691 -4.913 376 H GLY 53 H GLY 53 8.173 8.987 -7.420 377 1HA GLY 53 2HA GLY 53 6.363 7.003 -6.584 378 2HA GLY 53 1HA GLY 53 5.937 8.502 -7.394 379 H LYS 54 H LYS 54 7.175 8.164 -9.846 380 HA LYS 54 HA LYS 54 5.191 6.586 -11.101 381 1HB LYS 54 2HB LYS 54 7.408 8.303 -12.019 382 2HB LYS 54 1HB LYS 54 6.889 7.050 -13.138 383 1HG LYS 54 2HG LYS 54 4.563 7.898 -12.923 384 2HG LYS 54 1HG LYS 54 5.185 9.222 -11.936 385 1HD LYS 54 2HD LYS 54 6.491 10.057 -13.759 386 2HD LYS 54 1HD LYS 54 6.127 8.636 -14.740 387 1HE LYS 54 2HE LYS 54 4.096 10.643 -13.771 388 2HE LYS 54 1HE LYS 54 4.815 10.637 -15.380 389 1HZ LYS 54 1HZ LYS 54 3.856 8.425 -15.736 390 2HZ LYS 54 2HZ LYS 54 2.662 9.581 -15.418 391 3HZ LYS 54 3HZ LYS 54 3.127 8.488 -14.207 392 H LYS 55 H LYS 55 8.492 5.890 -10.157 393 HA LYS 55 HA LYS 55 8.795 3.619 -11.836 394 1HB LYS 55 2HB LYS 55 10.714 4.731 -10.724 395 2HB LYS 55 1HB LYS 55 10.131 4.145 -9.170 396 1HG LYS 55 2HG LYS 55 10.473 1.857 -9.850 397 2HG LYS 55 1HG LYS 55 10.922 2.371 -11.476 398 1HD LYS 55 2HD LYS 55 12.425 3.091 -8.964 399 2HD LYS 55 1HD LYS 55 12.866 1.780 -10.057 400 1HE LYS 55 2HE LYS 55 13.032 3.478 -11.889 401 2HE LYS 55 1HE LYS 55 12.795 4.730 -10.670 402 1HZ LYS 55 1HZ LYS 55 14.791 3.794 -9.524 403 2HZ LYS 55 2HZ LYS 55 15.112 4.512 -11.021 404 3HZ LYS 55 3HZ LYS 55 15.061 2.821 -10.882 405 H LEU 56 H LEU 56 7.737 4.011 -8.471 406 HA LEU 56 HA LEU 56 7.136 1.280 -8.035 407 1HB LEU 56 2HB LEU 56 6.077 3.784 -6.729 408 2HB LEU 56 1HB LEU 56 5.667 2.167 -6.189 409 HG LEU 56 HG LEU 56 8.452 3.334 -6.232 410 1HD1 LEU 56 1HD1 LEU 56 7.046 4.384 -4.552 411 2HD1 LEU 56 2HD1 LEU 56 8.242 3.330 -3.797 412 3HD1 LEU 56 3HD1 LEU 56 6.566 2.800 -3.943 413 1HD2 LEU 56 1HD2 LEU 56 8.441 0.911 -6.570 414 2HD2 LEU 56 2HD2 LEU 56 7.429 0.711 -5.138 415 3HD2 LEU 56 3HD2 LEU 56 9.071 1.332 -4.977 416 H LEU 57 H LEU 57 5.143 4.038 -9.037 417 HA LEU 57 HA LEU 57 2.708 2.688 -9.232 418 1HB LEU 57 2HB LEU 57 3.827 5.191 -10.311 419 2HB LEU 57 1HB LEU 57 2.494 4.518 -11.226 420 HG LEU 57 HG LEU 57 1.085 4.560 -9.213 421 1HD1 LEU 57 1HD1 LEU 57 3.466 5.867 -7.911 422 2HD1 LEU 57 2HD1 LEU 57 2.777 4.296 -7.505 423 3HD1 LEU 57 3HD1 LEU 57 1.848 5.767 -7.218 424 1HD2 LEU 57 1HD2 LEU 57 2.400 7.192 -9.864 425 2HD2 LEU 57 2HD2 LEU 57 0.837 6.991 -9.071 426 3HD2 LEU 57 3HD2 LEU 57 1.058 6.451 -10.736 427 H LYS 58 H LYS 58 5.201 3.217 -11.742 428 HA LYS 58 HA LYS 58 3.809 1.961 -13.818 429 1HB LYS 58 2HB LYS 58 5.926 3.343 -14.027 430 2HB LYS 58 1HB LYS 58 6.813 1.909 -13.518 431 1HG LYS 58 2HG LYS 58 5.645 0.719 -15.450 432 2HG LYS 58 1HG LYS 58 5.213 2.330 -16.019 433 1HD LYS 58 2HD LYS 58 7.204 1.684 -17.151 434 2HD LYS 58 1HD LYS 58 7.651 2.905 -15.959 435 1HE LYS 58 2HE LYS 58 8.588 1.294 -14.508 436 2HE LYS 58 1HE LYS 58 7.840 -0.041 -15.384 437 1HZ LYS 58 1HZ LYS 58 10.024 1.712 -16.385 438 2HZ LYS 58 2HZ LYS 58 9.263 0.492 -17.284 439 3HZ LYS 58 3HZ LYS 58 10.167 0.088 -15.910 440 H ALA 59 H ALA 59 5.915 0.632 -11.317 441 HA ALA 59 HA ALA 59 6.134 -1.972 -12.369 442 1HB ALA 59 1HB ALA 59 7.608 -1.138 -10.612 443 2HB ALA 59 2HB ALA 59 6.814 -2.631 -10.115 444 3HB ALA 59 3HB ALA 59 6.251 -1.081 -9.488 445 H VAL 60 H VAL 60 3.827 -0.545 -10.088 446 HA VAL 60 HA VAL 60 2.380 -2.969 -9.682 447 HB VAL 60 HB VAL 60 1.534 -0.112 -9.148 448 1HG1 VAL 60 1HG1 VAL 60 -0.132 -1.089 -7.633 449 2HG1 VAL 60 2HG1 VAL 60 0.349 -2.707 -8.143 450 3HG1 VAL 60 3HG1 VAL 60 -0.400 -1.606 -9.299 451 1HG2 VAL 60 1HG2 VAL 60 2.686 -2.201 -7.293 452 2HG2 VAL 60 2HG2 VAL 60 2.172 -0.574 -6.842 453 3HG2 VAL 60 3HG2 VAL 60 3.546 -0.796 -7.924 454 H VAL 61 H VAL 61 1.949 -0.160 -11.792 455 HA VAL 61 HA VAL 61 -0.555 -0.995 -12.851 456 HB VAL 61 HB VAL 61 1.498 0.903 -14.009 457 1HG1 VAL 61 1HG1 VAL 61 -0.342 1.754 -15.394 458 2HG1 VAL 61 2HG1 VAL 61 -1.388 0.475 -14.782 459 3HG1 VAL 61 3HG1 VAL 61 0.021 0.067 -15.761 460 1HG2 VAL 61 1HG2 VAL 61 -1.050 1.460 -12.493 461 2HG2 VAL 61 2HG2 VAL 61 0.098 2.653 -13.102 462 3HG2 VAL 61 3HG2 VAL 61 0.575 1.550 -11.813 463 H GLU 62 H GLU 62 2.801 -1.509 -13.826 464 HA GLU 62 HA GLU 62 2.338 -2.877 -16.233 465 1HB GLU 62 2HB GLU 62 4.575 -2.168 -15.491 466 2HB GLU 62 1HB GLU 62 4.507 -3.323 -14.169 467 1HG GLU 62 2HG GLU 62 4.435 -5.158 -15.785 468 2HG GLU 62 1HG GLU 62 4.536 -3.989 -17.102 469 H HIS 63 H HIS 63 2.731 -4.083 -12.934 470 HA HIS 63 HA HIS 63 2.138 -6.754 -13.222 471 1HB HIS 63 2HB HIS 63 2.854 -5.835 -11.117 472 2HB HIS 63 1HB HIS 63 1.446 -4.791 -11.029 473 HD1 HIS 63 HD1 HIS 63 -0.067 -5.562 -9.274 474 HD2 HIS 63 HD2 HIS 63 1.763 -8.746 -11.188 475 HE1 HIS 63 HE1 HIS 63 -0.901 -7.620 -8.102 476 HE2 HIS 63 HE2 HIS 63 0.470 -9.493 -9.076 477 H ALA 64 H ALA 64 -0.110 -4.041 -12.862 478 HA ALA 64 HA ALA 64 -2.469 -5.615 -12.914 479 1HB ALA 64 1HB ALA 64 -2.141 -2.691 -13.567 480 2HB ALA 64 2HB ALA 64 -2.368 -3.358 -11.950 481 3HB ALA 64 3HB ALA 64 -3.646 -3.515 -13.156 482 H ARG 65 H ARG 65 -0.610 -3.933 -15.410 483 HA ARG 65 HA ARG 65 -2.545 -4.261 -17.451 484 1HB ARG 65 2HB ARG 65 0.056 -3.094 -17.213 485 2HB ARG 65 1HB ARG 65 0.023 -4.121 -18.640 486 1HG ARG 65 2HG ARG 65 -1.934 -1.914 -18.026 487 2HG ARG 65 1HG ARG 65 -0.592 -1.820 -19.170 488 1HD ARG 65 2HD ARG 65 -1.573 -3.507 -20.560 489 2HD ARG 65 1HD ARG 65 -2.818 -3.846 -19.359 490 HE ARG 65 HE ARG 65 -2.677 -1.199 -20.631 491 1HH1 ARG 65 2HH1 ARG 65 -4.360 -4.202 -20.038 492 2HH1 ARG 65 1HH1 ARG 65 -5.879 -3.636 -20.660 493 1HH2 ARG 65 1HH2 ARG 65 -4.669 -0.439 -21.482 494 2HH2 ARG 65 2HH2 ARG 65 -6.044 -1.505 -21.503 495 H GLU 66 H GLU 66 0.280 -6.172 -16.488 496 HA GLU 66 HA GLU 66 0.326 -7.998 -18.590 497 1HB GLU 66 2HB GLU 66 0.921 -8.503 -15.672 498 2HB GLU 66 1HB GLU 66 1.368 -9.574 -16.989 499 1HG GLU 66 2HG GLU 66 2.791 -7.813 -17.916 500 2HG GLU 66 1HG GLU 66 2.353 -6.770 -16.561 501 H ASN 67 H ASN 67 -1.402 -8.222 -15.499 502 HA ASN 67 HA ASN 67 -2.718 -10.658 -16.477 503 1HB ASN 67 2HB ASN 67 -2.471 -9.524 -13.684 504 2HB ASN 67 1HB ASN 67 -3.243 -11.055 -14.093 505 1HD2 ASN 67 1HD2 ASN 67 -0.816 -10.324 -12.473 506 2HD2 ASN 67 2HD2 ASN 67 0.454 -11.310 -13.112 507 H ASN 68 H ASN 68 -3.365 -7.601 -16.782 508 HA ASN 68 HA ASN 68 -5.173 -6.236 -16.899 509 1HB ASN 68 2HB ASN 68 -5.966 -8.811 -17.916 510 2HB ASN 68 1HB ASN 68 -7.347 -8.001 -17.176 511 1HD2 ASN 68 1HD2 ASN 68 -5.041 -7.955 -19.745 512 2HD2 ASN 68 2HD2 ASN 68 -5.769 -6.680 -20.665 513 H LEU 69 H LEU 69 -4.463 -6.476 -14.384 514 HA LEU 69 HA LEU 69 -6.720 -7.290 -12.740 515 1HB LEU 69 2HB LEU 69 -4.066 -6.091 -11.936 516 2HB LEU 69 1HB LEU 69 -5.255 -6.785 -10.853 517 HG LEU 69 HG LEU 69 -3.723 -8.320 -12.954 518 1HD1 LEU 69 1HD1 LEU 69 -2.579 -9.332 -11.025 519 2HD1 LEU 69 2HD1 LEU 69 -3.407 -8.195 -9.961 520 3HD1 LEU 69 3HD1 LEU 69 -2.265 -7.602 -11.166 521 1HD2 LEU 69 1HD2 LEU 69 -5.925 -9.274 -12.521 522 2HD2 LEU 69 2HD2 LEU 69 -5.599 -9.260 -10.787 523 3HD2 LEU 69 3HD2 LEU 69 -4.653 -10.297 -11.854 524 H LYS 70 H LYS 70 -8.057 -5.919 -11.691 525 HA LYS 70 HA LYS 70 -8.095 -3.170 -12.572 526 1HB LYS 70 2HB LYS 70 -9.915 -4.660 -10.671 527 2HB LYS 70 1HB LYS 70 -10.191 -3.027 -11.267 528 1HG LYS 70 2HG LYS 70 -10.267 -3.948 -13.574 529 2HG LYS 70 1HG LYS 70 -10.154 -5.569 -12.882 530 1HD LYS 70 2HD LYS 70 -12.221 -5.218 -11.661 531 2HD LYS 70 1HD LYS 70 -12.318 -3.560 -12.258 532 1HE LYS 70 2HE LYS 70 -13.800 -4.976 -13.535 533 2HE LYS 70 1HE LYS 70 -12.475 -4.423 -14.557 534 1HZ LYS 70 1HZ LYS 70 -11.455 -6.524 -14.472 535 2HZ LYS 70 2HZ LYS 70 -13.100 -6.841 -14.744 536 3HZ LYS 70 3HZ LYS 70 -12.442 -7.054 -13.198 537 H ILE 71 H ILE 71 -7.749 -1.375 -11.331 538 HA ILE 71 HA ILE 71 -6.386 -1.882 -8.770 539 HB ILE 71 HB ILE 71 -5.963 0.326 -10.788 540 1HG1 ILE 71 2HG1 ILE 71 -4.139 -1.877 -9.802 541 2HG1 ILE 71 1HG1 ILE 71 -4.935 -1.830 -11.370 542 1HG2 ILE 71 1HG2 ILE 71 -5.792 1.216 -8.522 543 2HG2 ILE 71 2HG2 ILE 71 -4.214 1.172 -9.310 544 3HG2 ILE 71 3HG2 ILE 71 -4.634 -0.050 -8.111 545 1HD1 ILE 71 1HD1 ILE 71 -3.664 0.177 -11.944 546 2HD1 ILE 71 2HD1 ILE 71 -2.614 -1.187 -11.562 547 3HD1 ILE 71 3HD1 ILE 71 -2.850 0.101 -10.381 548 H ILE 72 H ILE 72 -7.350 -1.141 -7.004 549 HA ILE 72 HA ILE 72 -8.913 1.346 -7.225 550 HB ILE 72 HB ILE 72 -10.201 0.576 -5.197 551 1HG1 ILE 72 2HG1 ILE 72 -9.051 -2.120 -5.948 552 2HG1 ILE 72 1HG1 ILE 72 -8.641 -1.210 -4.498 553 1HG2 ILE 72 1HG2 ILE 72 -10.510 -1.017 -7.735 554 2HG2 ILE 72 2HG2 ILE 72 -11.198 0.571 -7.396 555 3HG2 ILE 72 3HG2 ILE 72 -11.740 -0.836 -6.483 556 1HD1 ILE 72 1HD1 ILE 72 -10.939 -1.403 -3.718 557 2HD1 ILE 72 2HD1 ILE 72 -10.231 -2.991 -4.027 558 3HD1 ILE 72 3HD1 ILE 72 -11.365 -2.290 -5.182 559 H ALA 73 H ALA 73 -8.287 2.977 -5.924 560 HA ALA 73 HA ALA 73 -6.004 2.394 -4.165 561 1HB ALA 73 1HB ALA 73 -5.300 4.697 -4.531 562 2HB ALA 73 2HB ALA 73 -6.727 4.985 -5.527 563 3HB ALA 73 3HB ALA 73 -5.492 3.846 -6.064 564 H SER 74 H SER 74 -6.067 2.873 -2.070 565 HA SER 74 HA SER 74 -8.375 4.405 -1.059 566 1HB SER 74 2HB SER 74 -8.237 2.050 -0.269 567 2HB SER 74 1HB SER 74 -6.651 2.393 0.418 568 HG SER 74 HG SER 74 -7.703 4.015 1.712 569 H CYS 75 H CYS 75 -5.153 4.585 -1.730 570 HA CYS 75 HA CYS 75 -4.495 6.405 0.454 571 1HB CYS 75 2HB CYS 75 -2.211 6.364 -0.698 572 2HB CYS 75 1HB CYS 75 -2.750 4.866 0.055 573 HG CYS 75 HG CYS 75 -1.484 4.157 -2.295 574 H SER 76 H SER 76 -4.895 8.484 0.198 575 HA SER 76 HA SER 76 -5.871 9.660 -2.131 576 1HB SER 76 2HB SER 76 -6.309 10.597 0.063 577 2HB SER 76 1HB SER 76 -4.595 10.929 0.300 578 HG SER 76 HG SER 76 -5.100 12.803 -0.495 579 H PHE 77 H PHE 77 -2.584 9.396 -0.924 580 HA PHE 77 HA PHE 77 -1.327 11.313 -2.525 581 1HB PHE 77 2HB PHE 77 -0.291 10.097 -0.606 582 2HB PHE 77 1HB PHE 77 -0.193 8.658 -1.613 583 HD1 PHE 77 HD1 PHE 77 1.603 8.335 -3.084 584 HD2 PHE 77 HD2 PHE 77 0.999 12.137 -1.275 585 HE1 PHE 77 HE1 PHE 77 3.799 9.071 -3.911 586 HE2 PHE 77 HE2 PHE 77 3.193 12.882 -2.098 587 HZ PHE 77 HZ PHE 77 4.597 11.350 -3.420 588 H ALA 78 H ALA 78 -1.795 7.834 -3.133 589 HA ALA 78 HA ALA 78 -0.660 7.981 -5.758 590 1HB ALA 78 1HB ALA 78 -1.319 5.643 -5.959 591 2HB ALA 78 2HB ALA 78 -2.268 5.774 -4.476 592 3HB ALA 78 3HB ALA 78 -0.513 5.941 -4.419 593 H LYS 79 H LYS 79 -3.890 7.911 -4.403 594 HA LYS 79 HA LYS 79 -5.413 7.482 -6.677 595 1HB LYS 79 2HB LYS 79 -6.378 7.451 -4.475 596 2HB LYS 79 1HB LYS 79 -5.973 9.140 -4.222 597 1HG LYS 79 2HG LYS 79 -7.604 9.846 -5.813 598 2HG LYS 79 1HG LYS 79 -7.897 8.183 -6.324 599 1HD LYS 79 2HD LYS 79 -8.839 7.631 -4.186 600 2HD LYS 79 1HD LYS 79 -8.396 9.207 -3.534 601 1HE LYS 79 2HE LYS 79 -10.805 8.953 -4.163 602 2HE LYS 79 1HE LYS 79 -9.977 10.315 -4.915 603 1HZ LYS 79 1HZ LYS 79 -11.464 8.818 -6.349 604 2HZ LYS 79 2HZ LYS 79 -10.162 7.735 -6.322 605 3HZ LYS 79 3HZ LYS 79 -9.955 9.293 -6.962 606 H HIS 80 H HIS 80 -4.118 10.527 -5.411 607 HA HIS 80 HA HIS 80 -5.402 12.205 -7.289 608 1HB HIS 80 2HB HIS 80 -3.113 12.535 -5.402 609 2HB HIS 80 1HB HIS 80 -3.363 13.754 -6.648 610 HD1 HIS 80 HD1 HIS 80 -4.853 12.387 -3.507 611 HD2 HIS 80 HD2 HIS 80 -5.647 15.346 -6.318 612 HE1 HIS 80 HE1 HIS 80 -6.637 13.833 -2.485 613 HE2 HIS 80 HE2 HIS 80 -6.935 15.738 -4.107 614 H MET 81 H MET 81 -2.514 10.283 -7.480 615 HA MET 81 HA MET 81 -1.575 11.654 -9.856 616 1HB MET 81 2HB MET 81 -0.586 9.184 -8.429 617 2HB MET 81 1HB MET 81 0.158 9.832 -9.883 618 1HG MET 81 2HG MET 81 0.578 11.947 -8.684 619 2HG MET 81 1HG MET 81 -0.076 11.214 -7.222 620 1HE MET 81 1HE MET 81 1.083 9.228 -5.903 621 2HE MET 81 2HE MET 81 2.511 8.375 -6.491 622 3HE MET 81 3HE MET 81 0.987 8.256 -7.370 623 H LEU 82 H LEU 82 -3.424 8.841 -9.016 624 HA LEU 82 HA LEU 82 -3.284 7.557 -11.553 625 1HB LEU 82 2HB LEU 82 -5.354 7.306 -9.371 626 2HB LEU 82 1HB LEU 82 -5.193 6.227 -10.745 627 HG LEU 82 HG LEU 82 -3.130 6.612 -8.571 628 1HD1 LEU 82 1HD1 LEU 82 -5.118 5.440 -7.778 629 2HD1 LEU 82 2HD1 LEU 82 -3.733 4.352 -7.888 630 3HD1 LEU 82 3HD1 LEU 82 -4.991 4.306 -9.123 631 1HD2 LEU 82 1HD2 LEU 82 -1.993 4.714 -9.605 632 2HD2 LEU 82 2HD2 LEU 82 -2.118 6.070 -10.726 633 3HD2 LEU 82 3HD2 LEU 82 -3.198 4.686 -10.892 634 H GLU 83 H GLU 83 -5.611 9.777 -10.054 635 HA GLU 83 HA GLU 83 -7.307 9.843 -12.375 636 1HB GLU 83 2HB GLU 83 -7.169 11.585 -9.913 637 2HB GLU 83 1HB GLU 83 -8.367 11.794 -11.181 638 1HG GLU 83 2HG GLU 83 -9.245 9.577 -10.750 639 2HG GLU 83 1HG GLU 83 -8.003 9.306 -9.529 640 H LYS 84 H LYS 84 -4.418 11.363 -11.441 641 HA LYS 84 HA LYS 84 -4.696 13.830 -12.817 642 1HB LYS 84 2HB LYS 84 -3.064 13.460 -11.004 643 2HB LYS 84 1HB LYS 84 -2.196 12.323 -12.022 644 1HG LYS 84 2HG LYS 84 -1.670 14.120 -13.588 645 2HG LYS 84 1HG LYS 84 -2.549 15.263 -12.570 646 1HD LYS 84 2HD LYS 84 -1.007 14.770 -10.718 647 2HD LYS 84 1HD LYS 84 -0.114 13.674 -11.771 648 1HE LYS 84 2HE LYS 84 -0.478 16.636 -12.212 649 2HE LYS 84 1HE LYS 84 0.974 15.861 -11.580 650 1HZ LYS 84 1HZ LYS 84 -0.182 15.555 -14.299 651 2HZ LYS 84 2HZ LYS 84 1.089 14.603 -13.701 652 3HZ LYS 84 3HZ LYS 84 1.296 16.276 -13.879 653 H GLU 85 H GLU 85 -3.272 10.701 -13.661 654 HA GLU 85 HA GLU 85 -2.759 11.740 -16.365 655 1HB GLU 85 2HB GLU 85 -0.797 11.041 -14.948 656 2HB GLU 85 1HB GLU 85 -1.416 9.398 -15.027 657 1HG GLU 85 2HG GLU 85 -1.101 9.316 -17.383 658 2HG GLU 85 1HG GLU 85 -0.698 11.035 -17.440 659 H ASP 86 H ASP 86 -3.146 10.370 -18.155 660 HA ASP 86 HA ASP 86 -5.580 8.849 -17.836 661 1HB ASP 86 2HB ASP 86 -5.558 8.752 -20.302 662 2HB ASP 86 1HB ASP 86 -5.355 10.397 -19.711 663 H SER 87 H SER 87 -2.341 8.063 -17.701 664 HA SER 87 HA SER 87 -2.328 5.690 -19.280 665 1HB SER 87 2HB SER 87 -0.352 6.424 -17.121 666 2HB SER 87 1HB SER 87 -0.078 5.416 -18.543 667 HG SER 87 HG SER 87 0.383 7.965 -18.345 668 H TYR 88 H TYR 88 -3.691 6.308 -16.295 669 HA TYR 88 HA TYR 88 -3.246 3.533 -15.383 670 1HB TYR 88 2HB TYR 88 -4.133 5.822 -13.632 671 2HB TYR 88 1HB TYR 88 -3.489 4.263 -13.136 672 HD1 TYR 88 HD1 TYR 88 -1.016 3.787 -13.975 673 HD2 TYR 88 HD2 TYR 88 -2.745 7.650 -13.595 674 HE1 TYR 88 HE1 TYR 88 1.235 4.769 -13.813 675 HE2 TYR 88 HE2 TYR 88 -0.505 8.645 -13.437 676 HH TYR 88 HH TYR 88 1.742 8.020 -12.835 677 H GLN 89 H GLN 89 -5.558 5.568 -16.699 678 HA GLN 89 HA GLN 89 -7.721 5.018 -14.903 679 1HB GLN 89 2HB GLN 89 -7.654 6.424 -17.571 680 2HB GLN 89 1HB GLN 89 -9.060 6.348 -16.515 681 1HG GLN 89 2HG GLN 89 -7.870 7.540 -14.782 682 2HG GLN 89 1HG GLN 89 -6.402 7.541 -15.756 683 1HE2 GLN 89 1HE2 GLN 89 -6.270 9.767 -15.745 684 2HE2 GLN 89 2HE2 GLN 89 -7.348 10.772 -16.655 685 H ASP 90 H ASP 90 -6.437 3.243 -17.464 686 HA ASP 90 HA ASP 90 -8.851 2.119 -18.491 687 1HB ASP 90 2HB ASP 90 -6.643 2.053 -19.668 688 2HB ASP 90 1HB ASP 90 -6.087 0.888 -18.472 689 H VAL 91 H VAL 91 -6.553 1.145 -15.986 690 HA VAL 91 HA VAL 91 -8.251 -1.156 -15.349 691 HB VAL 91 HB VAL 91 -6.320 -1.981 -14.018 692 1HG1 VAL 91 1HG1 VAL 91 -4.908 -2.566 -15.956 693 2HG1 VAL 91 2HG1 VAL 91 -5.770 -1.365 -16.919 694 3HG1 VAL 91 3HG1 VAL 91 -6.630 -2.769 -16.285 695 1HG2 VAL 91 1HG2 VAL 91 -5.261 0.178 -13.540 696 2HG2 VAL 91 2HG2 VAL 91 -4.855 0.358 -15.248 697 3HG2 VAL 91 3HG2 VAL 91 -4.131 -0.942 -14.302 698 H TYR 92 H TYR 92 -7.179 1.884 -14.090 699 HA TYR 92 HA TYR 92 -7.771 1.280 -11.351 700 1HB TYR 92 2HB TYR 92 -6.125 2.949 -11.671 701 2HB TYR 92 1HB TYR 92 -7.111 3.821 -12.838 702 HD1 TYR 92 HD1 TYR 92 -7.339 2.727 -9.250 703 HD2 TYR 92 HD2 TYR 92 -8.045 5.788 -12.122 704 HE1 TYR 92 HE1 TYR 92 -8.184 4.201 -7.468 705 HE2 TYR 92 HE2 TYR 92 -8.882 7.266 -10.347 706 HH TYR 92 HH TYR 92 -9.942 6.965 -8.087 707 H LEU 93 H LEU 93 -9.685 1.221 -10.451 708 HA LEU 93 HA LEU 93 -12.002 2.451 -11.748 709 1HB LEU 93 2HB LEU 93 -11.834 0.657 -9.313 710 2HB LEU 93 1HB LEU 93 -13.308 1.170 -10.111 711 HG LEU 93 HG LEU 93 -11.191 -0.623 -11.302 712 1HD1 LEU 93 1HD1 LEU 93 -12.924 -2.348 -11.151 713 2HD1 LEU 93 2HD1 LEU 93 -13.978 -1.207 -10.316 714 3HD1 LEU 93 3HD1 LEU 93 -12.471 -1.728 -9.562 715 1HD2 LEU 93 1HD2 LEU 93 -12.292 0.785 -12.983 716 2HD2 LEU 93 2HD2 LEU 93 -13.864 0.228 -12.408 717 3HD2 LEU 93 3HD2 LEU 93 -12.742 -0.912 -13.152 718 H GLY 94 H GLY 94 -13.167 2.481 -8.868 719 1HA GLY 94 2HA GLY 94 -13.431 4.007 -7.173 720 2HA GLY 94 1HA GLY 94 -11.685 4.155 -7.211 721 H LEU 95 H LEU 95 -14.164 5.065 -9.576 722 HA LEU 95 HA LEU 95 -12.812 7.505 -10.162 723 1HB LEU 95 2HB LEU 95 -14.206 6.040 -11.731 724 2HB LEU 95 1HB LEU 95 -15.612 6.773 -10.991 725 HG LEU 95 HG LEU 95 -13.478 8.427 -12.330 726 1HD1 LEU 95 1HD1 LEU 95 -14.915 8.438 -14.322 727 2HD1 LEU 95 2HD1 LEU 95 -15.953 7.229 -13.565 728 3HD1 LEU 95 3HD1 LEU 95 -14.283 6.829 -13.967 729 1HD2 LEU 95 1HD2 LEU 95 -15.035 9.609 -10.846 730 2HD2 LEU 95 2HD2 LEU 95 -16.395 8.958 -11.762 731 3HD2 LEU 95 3HD2 LEU 95 -15.262 10.069 -12.533 732 H GLU 96 H GLU 96 -15.855 6.700 -8.503 733 HA GLU 96 HA GLU 96 -16.260 9.546 -7.962 734 1HB GLU 96 2HB GLU 96 -18.143 8.310 -8.917 735 2HB GLU 96 1HB GLU 96 -18.111 7.191 -7.559 736 1HG GLU 96 2HG GLU 96 -18.735 8.949 -6.038 737 2HG GLU 96 1HG GLU 96 -18.639 10.145 -7.330 738 H HIS 97 H HIS 97 -15.968 10.435 -6.043 739 HA HIS 97 HA HIS 97 -15.182 8.839 -3.758 740 1HB HIS 97 2HB HIS 97 -14.151 11.060 -4.298 741 2HB HIS 97 1HB HIS 97 -15.699 11.822 -3.963 742 HD1 HIS 97 HD1 HIS 97 -16.123 12.505 -1.611 743 HD2 HIS 97 HD2 HIS 97 -12.938 9.855 -1.933 744 HE1 HIS 97 HE1 HIS 97 -15.063 12.439 0.667 745 HE2 HIS 97 HE2 HIS 97 -12.979 11.061 0.357 746 H HIS 98 H HIS 98 -17.191 7.623 -3.622 747 HA HIS 98 HA HIS 98 -19.644 9.097 -3.178 748 1HB HIS 98 2HB HIS 98 -19.455 6.991 -4.595 749 2HB HIS 98 1HB HIS 98 -19.299 6.100 -3.087 750 HD1 HIS 98 HD1 HIS 98 -21.762 7.663 -5.335 751 HD2 HIS 98 HD2 HIS 98 -21.679 6.120 -1.467 752 HE1 HIS 98 HE1 HIS 98 -24.174 7.384 -4.653 753 HE2 HIS 98 HE2 HIS 98 -24.100 6.335 -2.360 754 H HIS 99 H HIS 99 -18.369 9.923 -1.177 755 HA HIS 99 HA HIS 99 -19.894 9.195 1.051 756 1HB HIS 99 2HB HIS 99 -17.218 7.897 0.903 757 2HB HIS 99 1HB HIS 99 -17.652 8.631 2.440 758 HD1 HIS 99 HD1 HIS 99 -17.346 5.499 1.634 759 HD2 HIS 99 HD2 HIS 99 -20.843 7.612 2.405 760 HE1 HIS 99 HE1 HIS 99 -19.055 3.769 2.291 761 HE2 HIS 99 HE2 HIS 99 -21.206 5.056 2.559 762 H HIS 100 H HIS 100 -19.028 10.389 3.067 763 HA HIS 100 HA HIS 100 -18.114 12.998 2.150 764 1HB HIS 100 2HB HIS 100 -20.028 12.383 3.898 765 2HB HIS 100 1HB HIS 100 -18.678 12.450 5.027 766 HD1 HIS 100 HD1 HIS 100 -17.607 14.774 5.462 767 HD2 HIS 100 HD2 HIS 100 -20.813 14.832 2.814 768 HE1 HIS 100 HE1 HIS 100 -18.241 17.195 5.215 769 HE2 HIS 100 HE2 HIS 100 -20.073 17.214 3.486 770 H HIS 101 H HIS 101 -16.538 10.287 2.939 771 HA HIS 101 HA HIS 101 -14.135 11.732 3.543 772 1HB HIS 101 2HB HIS 101 -13.561 10.660 5.629 773 2HB HIS 101 1HB HIS 101 -15.115 11.457 5.806 774 HD1 HIS 101 HD1 HIS 101 -13.440 8.336 6.439 775 HD2 HIS 101 HD2 HIS 101 -17.355 9.490 5.632 776 HE1 HIS 101 HE1 HIS 101 -14.884 6.413 7.187 777 HE2 HIS 101 HE2 HIS 101 -17.227 7.056 6.523 778 H HIS 102 HN HIS 102 -15.495 8.431 3.613 779 HA HIS 102 HA HIS 102 -13.827 7.586 1.453 780 1HB HIS 102 2HB HIS 102 -12.150 7.364 3.205 781 2HB HIS 102 1HB HIS 102 -13.291 6.503 4.235 782 HD1 HIS 102 HD1 HIS 102 -11.007 6.023 1.325 783 HD2 HIS 102 HD2 HIS 102 -13.713 3.802 3.558 784 HE1 HIS 102 HE1 HIS 102 -10.635 3.631 0.649 785 HE2 HIS 102 HE2 HIS 102 -12.457 2.346 1.828 Start of MODEL 3 1 1H MET 1 1H MET 1 23.355 -5.459 -3.082 2 2H MET 1 2H MET 1 23.597 -5.276 -1.416 3 3H MET 1 3H MET 1 24.728 -6.131 -2.344 4 HA MET 1 HA MET 1 25.549 -3.944 -1.800 5 1HB MET 1 2HB MET 1 26.187 -4.981 -3.943 6 2HB MET 1 1HB MET 1 24.787 -4.252 -4.713 7 1HG MET 1 2HG MET 1 25.685 -2.044 -4.343 8 2HG MET 1 1HG MET 1 27.050 -2.718 -3.454 9 1HE MET 1 1HE MET 1 28.676 -1.405 -6.785 10 2HE MET 1 2HE MET 1 28.753 -1.362 -5.024 11 3HE MET 1 3HE MET 1 27.361 -0.675 -5.863 12 H SER 2 H SER 2 25.035 -1.947 -1.219 13 HA SER 2 HA SER 2 22.428 -1.022 -1.115 14 1HB SER 2 2HB SER 2 24.944 0.657 -1.112 15 2HB SER 2 1HB SER 2 23.379 1.127 -0.453 16 HG SER 2 HG SER 2 23.651 -0.202 1.220 17 H ASN 3 H ASN 3 21.114 -0.505 -2.688 18 HA ASN 3 HA ASN 3 21.802 1.458 -4.671 19 1HB ASN 3 2HB ASN 3 22.643 -0.699 -5.675 20 2HB ASN 3 1HB ASN 3 20.996 -1.317 -5.608 21 1HD2 ASN 3 1HD2 ASN 3 21.976 1.965 -6.415 22 2HD2 ASN 3 2HD2 ASN 3 21.385 1.928 -8.044 23 H LEU 4 H LEU 4 19.889 2.328 -5.655 24 HA LEU 4 HA LEU 4 17.513 1.935 -4.093 25 1HB LEU 4 2HB LEU 4 18.025 3.612 -6.546 26 2HB LEU 4 1HB LEU 4 16.514 3.608 -5.660 27 HG LEU 4 HG LEU 4 19.197 4.495 -4.597 28 1HD1 LEU 4 1HD1 LEU 4 18.171 6.709 -4.535 29 2HD1 LEU 4 2HD1 LEU 4 16.705 6.055 -5.262 30 3HD1 LEU 4 3HD1 LEU 4 18.214 6.066 -6.176 31 1HD2 LEU 4 1HD2 LEU 4 17.881 3.456 -2.836 32 2HD2 LEU 4 2HD2 LEU 4 16.492 4.457 -3.259 33 3HD2 LEU 4 3HD2 LEU 4 17.950 5.203 -2.605 34 H GLU 5 H GLU 5 17.635 -0.419 -4.762 35 HA GLU 5 HA GLU 5 16.278 -0.993 -7.276 36 1HB GLU 5 2HB GLU 5 17.499 -2.673 -5.102 37 2HB GLU 5 1HB GLU 5 16.408 -3.389 -6.280 38 1HG GLU 5 2HG GLU 5 18.869 -1.850 -7.045 39 2HG GLU 5 1HG GLU 5 18.855 -3.594 -6.781 40 H ILE 6 H ILE 6 14.262 -2.058 -7.372 41 HA ILE 6 HA ILE 6 12.403 -1.331 -5.305 42 HB ILE 6 HB ILE 6 11.969 -3.144 -7.689 43 1HG1 ILE 6 2HG1 ILE 6 11.375 -0.192 -7.373 44 2HG1 ILE 6 1HG1 ILE 6 12.701 -0.859 -8.318 45 1HG2 ILE 6 1HG2 ILE 6 9.582 -2.596 -7.346 46 2HG2 ILE 6 2HG2 ILE 6 10.020 -1.742 -5.865 47 3HG2 ILE 6 3HG2 ILE 6 10.284 -3.482 -5.992 48 1HD1 ILE 6 1HD1 ILE 6 11.108 -1.943 -9.802 49 2HD1 ILE 6 2HD1 ILE 6 10.839 -0.201 -9.729 50 3HD1 ILE 6 3HD1 ILE 6 9.775 -1.295 -8.848 51 H LYS 7 H LYS 7 12.880 -2.382 -3.428 52 HA LYS 7 HA LYS 7 13.473 -5.199 -3.407 53 1HB LYS 7 2HB LYS 7 13.023 -3.235 -1.149 54 2HB LYS 7 1HB LYS 7 13.526 -4.908 -0.933 55 1HG LYS 7 2HG LYS 7 15.553 -4.475 -2.219 56 2HG LYS 7 1HG LYS 7 15.051 -2.801 -2.447 57 1HD LYS 7 2HD LYS 7 15.166 -2.424 -0.042 58 2HD LYS 7 1HD LYS 7 15.613 -4.114 0.213 59 1HE LYS 7 2HE LYS 7 17.635 -3.773 -1.128 60 2HE LYS 7 1HE LYS 7 17.193 -2.083 -1.360 61 1HZ LYS 7 1HZ LYS 7 18.847 -2.420 0.401 62 2HZ LYS 7 2HZ LYS 7 17.727 -3.342 1.282 63 3HZ LYS 7 3HZ LYS 7 17.429 -1.697 0.982 64 H GLN 8 H GLN 8 12.126 -6.829 -3.045 65 HA GLN 8 HA GLN 8 9.291 -6.130 -3.104 66 1HB GLN 8 2HB GLN 8 10.038 -7.464 -4.956 67 2HB GLN 8 1HB GLN 8 10.778 -8.637 -3.875 68 1HG GLN 8 2HG GLN 8 8.621 -9.340 -3.083 69 2HG GLN 8 1HG GLN 8 7.827 -8.081 -4.027 70 1HE2 GLN 8 1HE2 GLN 8 6.588 -9.616 -5.107 71 2HE2 GLN 8 2HE2 GLN 8 7.250 -10.626 -6.341 72 H GLY 9 H GLY 9 8.121 -6.306 -1.361 73 1HA GLY 9 2HA GLY 9 8.740 -8.476 0.549 74 2HA GLY 9 1HA GLY 9 8.027 -6.935 1.024 75 H GLU 10 H GLU 10 6.520 -8.840 1.891 76 HA GLU 10 HA GLU 10 4.762 -9.938 -0.082 77 1HB GLU 10 2HB GLU 10 4.651 -9.845 2.925 78 2HB GLU 10 1HB GLU 10 3.368 -10.557 1.956 79 1HG GLU 10 2HG GLU 10 6.234 -11.439 2.130 80 2HG GLU 10 1HG GLU 10 4.801 -12.305 2.684 81 H ASN 11 H ASN 11 3.310 -8.847 -1.130 82 HA ASN 11 HA ASN 11 1.638 -7.417 -1.675 83 1HB ASN 11 2HB ASN 11 1.288 -7.170 1.321 84 2HB ASN 11 1HB ASN 11 0.153 -6.562 0.118 85 1HD2 ASN 11 1HD2 ASN 11 1.416 -9.346 1.721 86 2HD2 ASN 11 2HD2 ASN 11 0.247 -10.478 1.141 87 H LYS 12 H LYS 12 4.466 -6.439 -0.971 88 HA LYS 12 HA LYS 12 3.815 -3.635 -1.271 89 1HB LYS 12 2HB LYS 12 5.193 -2.869 0.599 90 2HB LYS 12 1HB LYS 12 3.847 -3.850 1.155 91 1HG LYS 12 2HG LYS 12 5.260 -5.703 1.595 92 2HG LYS 12 1HG LYS 12 6.622 -4.932 0.779 93 1HD LYS 12 2HD LYS 12 6.728 -3.224 2.484 94 2HD LYS 12 1HD LYS 12 5.284 -3.872 3.267 95 1HE LYS 12 2HE LYS 12 6.445 -5.907 3.823 96 2HE LYS 12 1HE LYS 12 7.862 -5.393 2.910 97 1HZ LYS 12 1HZ LYS 12 7.988 -5.099 5.382 98 2HZ LYS 12 2HZ LYS 12 6.821 -3.875 5.233 99 3HZ LYS 12 3HZ LYS 12 8.317 -3.712 4.470 100 H PHE 13 H PHE 13 5.321 -2.486 -2.334 101 HA PHE 13 HA PHE 13 7.976 -3.708 -2.729 102 1HB PHE 13 2HB PHE 13 6.427 -1.882 -4.587 103 2HB PHE 13 1HB PHE 13 8.102 -2.359 -4.832 104 HD1 PHE 13 HD1 PHE 13 4.781 -3.078 -5.647 105 HD2 PHE 13 HD2 PHE 13 8.509 -4.959 -4.841 106 HE1 PHE 13 HE1 PHE 13 4.033 -5.076 -6.871 107 HE2 PHE 13 HE2 PHE 13 7.768 -6.963 -6.062 108 HZ PHE 13 HZ PHE 13 5.528 -7.023 -7.079 109 H TYR 14 H TYR 14 9.664 -2.530 -1.962 110 HA TYR 14 HA TYR 14 9.153 0.291 -1.355 111 1HB TYR 14 2HB TYR 14 10.222 0.051 0.856 112 2HB TYR 14 1HB TYR 14 8.742 -0.887 0.724 113 HD1 TYR 14 HD1 TYR 14 12.244 -0.967 1.477 114 HD2 TYR 14 HD2 TYR 14 8.947 -3.400 0.321 115 HE1 TYR 14 HE1 TYR 14 13.448 -2.964 2.256 116 HE2 TYR 14 HE2 TYR 14 10.146 -5.403 1.093 117 HH TYR 14 HH TYR 14 12.778 -5.320 3.089 118 H ILE 15 H ILE 15 10.829 1.644 -1.592 119 HA ILE 15 HA ILE 15 13.382 0.455 -2.456 120 HB ILE 15 HB ILE 15 12.162 3.094 -3.280 121 1HG1 ILE 15 2HG1 ILE 15 12.775 0.584 -4.857 122 2HG1 ILE 15 1HG1 ILE 15 11.170 1.129 -4.380 123 1HG2 ILE 15 1HG2 ILE 15 14.117 3.350 -4.736 124 2HG2 ILE 15 2HG2 ILE 15 14.811 1.877 -4.059 125 3HG2 ILE 15 3HG2 ILE 15 14.582 3.295 -3.035 126 1HD1 ILE 15 1HD1 ILE 15 13.042 2.557 -6.255 127 2HD1 ILE 15 2HD1 ILE 15 11.443 3.120 -5.771 128 3HD1 ILE 15 3HD1 ILE 15 11.608 1.634 -6.706 129 H GLY 16 H GLY 16 14.936 0.683 -1.033 130 1HA GLY 16 2HA GLY 16 15.738 3.123 0.085 131 2HA GLY 16 1HA GLY 16 14.793 2.248 1.286 132 H ASP 17 H ASP 17 17.456 2.822 1.734 133 HA ASP 17 HA ASP 17 19.146 0.672 0.923 134 1HB ASP 17 2HB ASP 17 20.772 1.620 2.487 135 2HB ASP 17 1HB ASP 17 20.054 2.885 1.498 136 H ASP 18 H ASP 18 17.281 1.431 3.809 137 HA ASP 18 HA ASP 18 17.740 -1.327 4.740 138 1HB ASP 18 2HB ASP 18 18.770 0.529 6.155 139 2HB ASP 18 1HB ASP 18 17.129 1.044 6.515 140 H GLU 19 H GLU 19 15.884 -2.199 6.023 141 HA GLU 19 HA GLU 19 13.424 -1.683 4.662 142 1HB GLU 19 2HB GLU 19 13.978 -3.385 7.097 143 2HB GLU 19 1HB GLU 19 12.465 -3.364 6.202 144 1HG GLU 19 2HG GLU 19 13.784 -4.076 4.180 145 2HG GLU 19 1HG GLU 19 15.147 -4.335 5.270 146 H ASN 20 H ASN 20 14.854 -0.668 7.669 147 HA ASN 20 HA ASN 20 12.431 0.464 8.734 148 1HB ASN 20 2HB ASN 20 14.132 -0.144 10.308 149 2HB ASN 20 1HB ASN 20 15.350 0.794 9.450 150 1HD2 ASN 20 1HD2 ASN 20 12.670 0.892 11.644 151 2HD2 ASN 20 2HD2 ASN 20 12.885 2.538 12.150 152 H ASN 21 H ASN 21 15.081 1.517 6.738 153 HA ASN 21 HA ASN 21 14.032 4.257 6.733 154 1HB ASN 21 2HB ASN 21 16.436 3.898 7.420 155 2HB ASN 21 1HB ASN 21 16.757 3.338 5.781 156 1HD2 ASN 21 1HD2 ASN 21 17.165 4.800 4.231 157 2HD2 ASN 21 2HD2 ASN 21 17.066 6.515 4.453 158 H ALA 22 H ALA 22 12.573 2.499 5.356 159 HA ALA 22 HA ALA 22 13.233 2.456 2.580 160 1HB ALA 22 1HB ALA 22 10.902 1.784 2.248 161 2HB ALA 22 2HB ALA 22 10.552 2.157 3.936 162 3HB ALA 22 3HB ALA 22 11.664 0.847 3.534 163 H LEU 23 H LEU 23 13.277 4.172 1.297 164 HA LEU 23 HA LEU 23 12.368 6.722 2.155 165 1HB LEU 23 2HB LEU 23 13.243 5.801 -0.584 166 2HB LEU 23 1HB LEU 23 13.017 7.474 -0.107 167 HG LEU 23 HG LEU 23 15.062 5.582 1.057 168 1HD1 LEU 23 1HD1 LEU 23 15.387 7.909 -0.831 169 2HD1 LEU 23 2HD1 LEU 23 15.593 6.202 -1.228 170 3HD1 LEU 23 3HD1 LEU 23 16.696 6.983 -0.096 171 1HD2 LEU 23 1HD2 LEU 23 14.581 8.516 1.548 172 2HD2 LEU 23 2HD2 LEU 23 15.954 7.588 2.149 173 3HD2 LEU 23 3HD2 LEU 23 14.323 7.201 2.696 174 H ALA 24 H ALA 24 11.083 4.238 0.054 175 HA ALA 24 HA ALA 24 8.462 5.442 0.251 176 1HB ALA 24 1HB ALA 24 9.715 4.966 -2.453 177 2HB ALA 24 2HB ALA 24 9.385 6.544 -1.734 178 3HB ALA 24 3HB ALA 24 8.052 5.467 -2.152 179 H GLU 25 H GLU 25 6.997 3.885 0.514 180 HA GLU 25 HA GLU 25 7.486 1.278 -0.757 181 1HB GLU 25 2HB GLU 25 6.475 0.139 1.166 182 2HB GLU 25 1HB GLU 25 7.923 1.014 1.639 183 1HG GLU 25 2HG GLU 25 6.710 2.641 2.787 184 2HG GLU 25 1HG GLU 25 5.208 2.235 1.960 185 H ILE 26 H ILE 26 5.725 0.330 -1.701 186 HA ILE 26 HA ILE 26 3.145 1.710 -1.360 187 HB ILE 26 HB ILE 26 4.031 2.248 -3.572 188 1HG1 ILE 26 2HG1 ILE 26 1.768 0.245 -3.744 189 2HG1 ILE 26 1HG1 ILE 26 1.594 1.928 -3.259 190 1HG2 ILE 26 1HG2 ILE 26 5.491 0.333 -3.901 191 2HG2 ILE 26 2HG2 ILE 26 4.383 0.506 -5.262 192 3HG2 ILE 26 3HG2 ILE 26 4.090 -0.731 -4.040 193 1HD1 ILE 26 1HD1 ILE 26 2.344 2.643 -5.464 194 2HD1 ILE 26 2HD1 ILE 26 0.929 1.596 -5.569 195 3HD1 ILE 26 3HD1 ILE 26 2.529 0.957 -5.947 196 H THR 27 H THR 27 1.509 0.446 -0.758 197 HA THR 27 HA THR 27 1.985 -2.452 -0.743 198 HB THR 27 HB THR 27 0.262 -2.482 1.092 199 HG1 THR 27 HG1 THR 27 -0.749 -0.675 1.502 200 1HG2 THR 27 1HG2 THR 27 2.609 -2.625 1.645 201 2HG2 THR 27 2HG2 THR 27 1.800 -1.594 2.823 202 3HG2 THR 27 3HG2 THR 27 2.776 -0.874 1.542 203 H TYR 28 H TYR 28 0.526 -3.825 -1.592 204 HA TYR 28 HA TYR 28 -2.081 -2.824 -2.402 205 1HB TYR 28 2HB TYR 28 -1.912 -3.465 -4.692 206 2HB TYR 28 1HB TYR 28 -0.496 -2.482 -4.352 207 HD1 TYR 28 HD1 TYR 28 -1.658 -5.502 -5.756 208 HD2 TYR 28 HD2 TYR 28 1.685 -3.815 -3.736 209 HE1 TYR 28 HE1 TYR 28 -0.230 -7.293 -6.635 210 HE2 TYR 28 HE2 TYR 28 3.123 -5.606 -4.618 211 HH TYR 28 HH TYR 28 2.832 -7.953 -5.461 212 H ARG 29 H ARG 29 -3.635 -4.413 -2.466 213 HA ARG 29 HA ARG 29 -2.760 -7.146 -1.848 214 1HB ARG 29 2HB ARG 29 -4.591 -7.231 -0.110 215 2HB ARG 29 1HB ARG 29 -3.197 -6.243 0.303 216 1HG ARG 29 2HG ARG 29 -4.480 -4.237 -0.427 217 2HG ARG 29 1HG ARG 29 -5.887 -5.276 -0.652 218 1HD ARG 29 2HD ARG 29 -4.390 -4.933 1.944 219 2HD ARG 29 1HD ARG 29 -5.878 -4.085 1.523 220 HE ARG 29 HE ARG 29 -7.036 -6.188 1.592 221 1HH1 ARG 29 2HH1 ARG 29 -3.769 -6.244 2.836 222 2HH1 ARG 29 1HH1 ARG 29 -3.999 -7.694 3.766 223 1HH2 ARG 29 1HH2 ARG 29 -7.358 -8.088 2.795 224 2HH2 ARG 29 2HH2 ARG 29 -6.044 -8.768 3.718 225 H PHE 30 H PHE 30 -3.951 -8.726 -2.750 226 HA PHE 30 HA PHE 30 -5.938 -8.043 -4.694 227 1HB PHE 30 2HB PHE 30 -4.942 -10.688 -3.630 228 2HB PHE 30 1HB PHE 30 -6.217 -10.574 -4.836 229 HD1 PHE 30 HD1 PHE 30 -2.658 -9.807 -4.174 230 HD2 PHE 30 HD2 PHE 30 -5.717 -10.245 -7.104 231 HE1 PHE 30 HE1 PHE 30 -0.961 -9.734 -5.952 232 HE2 PHE 30 HE2 PHE 30 -4.023 -10.172 -8.885 233 HZ PHE 30 HZ PHE 30 -1.639 -9.915 -8.310 234 H VAL 31 H VAL 31 -7.725 -7.145 -3.797 235 HA VAL 31 HA VAL 31 -8.907 -8.270 -1.417 236 HB VAL 31 HB VAL 31 -10.633 -6.515 -1.692 237 1HG1 VAL 31 1HG1 VAL 31 -7.785 -5.541 -1.891 238 2HG1 VAL 31 2HG1 VAL 31 -8.604 -6.070 -0.421 239 3HG1 VAL 31 3HG1 VAL 31 -9.149 -4.618 -1.262 240 1HG2 VAL 31 1HG2 VAL 31 -10.305 -4.777 -3.413 241 2HG2 VAL 31 2HG2 VAL 31 -10.690 -6.350 -4.112 242 3HG2 VAL 31 3HG2 VAL 31 -9.029 -5.757 -4.135 243 H ASP 32 H ASP 32 -9.326 -8.502 -4.831 244 HA ASP 32 HA ASP 32 -11.478 -10.431 -4.414 245 1HB ASP 32 2HB ASP 32 -12.269 -8.000 -5.070 246 2HB ASP 32 1HB ASP 32 -11.762 -8.496 -6.682 247 H ASN 33 H ASN 33 -11.972 -10.709 -7.249 248 HA ASN 33 HA ASN 33 -10.167 -12.763 -7.743 249 1HB ASN 33 2HB ASN 33 -11.175 -12.949 -9.951 250 2HB ASN 33 1HB ASN 33 -12.412 -12.646 -8.742 251 1HD2 ASN 33 1HD2 ASN 33 -13.397 -10.571 -8.674 252 2HD2 ASN 33 2HD2 ASN 33 -13.412 -9.562 -10.087 253 H ASN 34 H ASN 34 -10.287 -9.631 -9.475 254 HA ASN 34 HA ASN 34 -7.392 -9.928 -9.930 255 1HB ASN 34 2HB ASN 34 -9.486 -8.973 -11.888 256 2HB ASN 34 1HB ASN 34 -7.771 -8.657 -12.101 257 1HD2 ASN 34 1HD2 ASN 34 -7.057 -11.296 -10.947 258 2HD2 ASN 34 2HD2 ASN 34 -7.396 -12.439 -12.197 259 H GLU 35 H GLU 35 -9.519 -8.291 -8.221 260 HA GLU 35 HA GLU 35 -8.630 -5.601 -8.859 261 1HB GLU 35 2HB GLU 35 -10.559 -6.582 -6.745 262 2HB GLU 35 1HB GLU 35 -10.231 -4.896 -7.120 263 1HG GLU 35 2HG GLU 35 -11.099 -5.241 -9.384 264 2HG GLU 35 1HG GLU 35 -11.454 -6.920 -8.980 265 H ILE 36 H ILE 36 -6.884 -4.769 -7.990 266 HA ILE 36 HA ILE 36 -5.991 -5.771 -5.370 267 HB ILE 36 HB ILE 36 -3.765 -4.817 -5.947 268 1HG1 ILE 36 2HG1 ILE 36 -4.964 -4.468 -8.708 269 2HG1 ILE 36 1HG1 ILE 36 -4.533 -3.156 -7.615 270 1HG2 ILE 36 1HG2 ILE 36 -3.156 -6.585 -7.547 271 2HG2 ILE 36 2HG2 ILE 36 -4.869 -6.875 -7.850 272 3HG2 ILE 36 3HG2 ILE 36 -4.194 -7.173 -6.249 273 1HD1 ILE 36 1HD1 ILE 36 -2.609 -5.156 -8.787 274 2HD1 ILE 36 2HD1 ILE 36 -2.195 -3.798 -7.740 275 3HD1 ILE 36 3HD1 ILE 36 -2.850 -3.502 -9.351 276 H ASN 37 H ASN 37 -5.786 -4.396 -3.700 277 HA ASN 37 HA ASN 37 -6.643 -1.625 -4.173 278 1HB ASN 37 2HB ASN 37 -8.215 -2.780 -2.771 279 2HB ASN 37 1HB ASN 37 -6.928 -3.388 -1.737 280 1HD2 ASN 37 1HD2 ASN 37 -8.794 -0.580 -2.641 281 2HD2 ASN 37 2HD2 ASN 37 -8.397 0.364 -1.249 282 H ILE 38 H ILE 38 -5.236 -0.080 -3.880 283 HA ILE 38 HA ILE 38 -2.809 -0.573 -2.316 284 HB ILE 38 HB ILE 38 -3.567 1.806 -4.032 285 1HG1 ILE 38 2HG1 ILE 38 -1.633 -0.453 -4.602 286 2HG1 ILE 38 1HG1 ILE 38 -3.236 -0.292 -5.313 287 1HG2 ILE 38 1HG2 ILE 38 -0.942 1.103 -2.721 288 2HG2 ILE 38 2HG2 ILE 38 -2.018 2.426 -2.265 289 3HG2 ILE 38 3HG2 ILE 38 -1.208 2.446 -3.832 290 1HD1 ILE 38 1HD1 ILE 38 -1.502 0.442 -6.847 291 2HD1 ILE 38 2HD1 ILE 38 -0.949 1.630 -5.668 292 3HD1 ILE 38 3HD1 ILE 38 -2.550 1.784 -6.390 293 H ASP 39 H ASP 39 -3.217 -0.308 -0.184 294 HA ASP 39 HA ASP 39 -5.283 1.486 0.700 295 1HB ASP 39 2HB ASP 39 -4.966 0.596 2.883 296 2HB ASP 39 1HB ASP 39 -4.775 -0.755 1.774 297 H HIS 40 H HIS 40 -1.757 1.476 0.665 298 HA HIS 40 HA HIS 40 -1.813 4.327 1.082 299 1HB HIS 40 2HB HIS 40 -0.472 4.451 3.034 300 2HB HIS 40 1HB HIS 40 -1.771 3.329 3.405 301 HD1 HIS 40 HD1 HIS 40 -1.122 0.875 3.878 302 HD2 HIS 40 HD2 HIS 40 2.106 3.330 2.931 303 HE1 HIS 40 HE1 HIS 40 0.941 -0.414 4.538 304 HE2 HIS 40 HE2 HIS 40 2.886 1.019 3.801 305 H THR 41 H THR 41 0.085 5.374 0.494 306 HA THR 41 HA THR 41 2.247 3.674 -0.535 307 HB THR 41 HB THR 41 1.440 6.294 -1.815 308 HG1 THR 41 HG1 THR 41 0.384 3.734 -2.095 309 1HG2 THR 41 1HG2 THR 41 3.737 5.535 -2.225 310 2HG2 THR 41 2HG2 THR 41 2.766 5.439 -3.694 311 3HG2 THR 41 3HG2 THR 41 3.128 3.976 -2.776 312 H GLY 42 H GLY 42 3.650 3.942 1.128 313 1HA GLY 42 2HA GLY 42 3.869 6.461 2.521 314 2HA GLY 42 1HA GLY 42 4.770 4.991 2.866 315 H VAL 43 H VAL 43 4.557 7.764 0.717 316 HA VAL 43 HA VAL 43 7.326 7.312 -0.127 317 HB VAL 43 HB VAL 43 5.343 9.346 -1.166 318 1HG1 VAL 43 1HG1 VAL 43 6.920 9.579 -3.038 319 2HG1 VAL 43 2HG1 VAL 43 8.035 8.485 -2.218 320 3HG1 VAL 43 3HG1 VAL 43 7.640 10.046 -1.497 321 1HG2 VAL 43 1HG2 VAL 43 4.578 7.111 -1.664 322 2HG2 VAL 43 2HG2 VAL 43 6.169 6.673 -2.287 323 3HG2 VAL 43 3HG2 VAL 43 5.190 7.870 -3.135 324 H SER 44 H SER 44 8.789 8.194 1.182 325 HA SER 44 HA SER 44 8.251 10.570 2.701 326 1HB SER 44 2HB SER 44 10.923 9.259 2.177 327 2HB SER 44 1HB SER 44 10.512 10.341 3.505 328 HG SER 44 HG SER 44 9.918 7.641 3.150 329 H ASP 45 H ASP 45 8.696 12.631 2.124 330 HA ASP 45 HA ASP 45 9.289 13.051 -0.678 331 1HB ASP 45 2HB ASP 45 8.633 15.402 -0.231 332 2HB ASP 45 1HB ASP 45 7.395 14.239 0.221 333 H GLU 46 H GLU 46 11.397 12.264 1.250 334 HA GLU 46 HA GLU 46 13.195 14.364 1.740 335 1HB GLU 46 2HB GLU 46 14.288 11.689 1.010 336 2HB GLU 46 1HB GLU 46 14.719 12.746 2.343 337 1HG GLU 46 2HG GLU 46 12.269 11.009 2.171 338 2HG GLU 46 1HG GLU 46 13.704 10.694 3.140 339 H LEU 47 H LEU 47 12.454 12.532 -1.108 340 HA LEU 47 HA LEU 47 14.825 13.321 -2.550 341 1HB LEU 47 2HB LEU 47 12.332 11.855 -3.420 342 2HB LEU 47 1HB LEU 47 13.687 12.188 -4.479 343 HG LEU 47 HG LEU 47 13.931 9.949 -3.803 344 1HD1 LEU 47 1HD1 LEU 47 16.013 11.153 -3.773 345 2HD1 LEU 47 2HD1 LEU 47 16.005 9.946 -2.487 346 3HD1 LEU 47 3HD1 LEU 47 15.742 11.646 -2.100 347 1HD2 LEU 47 1HD2 LEU 47 13.512 10.854 -0.957 348 2HD2 LEU 47 2HD2 LEU 47 13.919 9.214 -1.463 349 3HD2 LEU 47 3HD2 LEU 47 12.378 9.927 -1.941 350 H GLY 48 H GLY 48 12.023 14.877 -1.751 351 1HA GLY 48 2HA GLY 48 11.112 16.864 -2.448 352 2HA GLY 48 1HA GLY 48 12.520 17.057 -3.479 353 H GLY 49 H GLY 49 12.314 16.804 -5.616 354 1HA GLY 49 2HA GLY 49 9.614 16.332 -6.618 355 2HA GLY 49 1HA GLY 49 10.953 17.023 -7.520 356 H GLN 50 H GLN 50 12.388 14.493 -6.165 357 HA GLN 50 HA GLN 50 12.236 12.910 -8.544 358 1HB GLN 50 2HB GLN 50 13.565 12.362 -5.886 359 2HB GLN 50 1HB GLN 50 13.723 11.334 -7.302 360 1HG GLN 50 2HG GLN 50 14.716 13.212 -8.533 361 2HG GLN 50 1HG GLN 50 14.599 14.200 -7.079 362 1HE2 GLN 50 1HE2 GLN 50 15.971 13.805 -5.364 363 2HE2 GLN 50 2HE2 GLN 50 17.393 12.835 -5.522 364 H GLY 51 H GLY 51 10.564 11.674 -9.005 365 1HA GLY 51 2HA GLY 51 8.724 10.851 -6.939 366 2HA GLY 51 1HA GLY 51 8.527 10.623 -8.668 367 H VAL 52 H VAL 52 10.582 9.474 -6.001 368 HA VAL 52 HA VAL 52 11.202 6.979 -7.155 369 HB VAL 52 HB VAL 52 11.024 7.695 -4.219 370 1HG1 VAL 52 1HG1 VAL 52 12.468 5.423 -5.582 371 2HG1 VAL 52 2HG1 VAL 52 11.035 5.282 -4.564 372 3HG1 VAL 52 3HG1 VAL 52 12.562 5.824 -3.867 373 1HG2 VAL 52 1HG2 VAL 52 13.383 7.746 -6.100 374 2HG2 VAL 52 2HG2 VAL 52 13.425 8.101 -4.372 375 3HG2 VAL 52 3HG2 VAL 52 12.535 9.157 -5.470 376 H GLY 53 H GLY 53 8.559 8.047 -5.075 377 1HA GLY 53 2HA GLY 53 7.341 5.501 -4.763 378 2HA GLY 53 1HA GLY 53 6.569 7.057 -4.491 379 H LYS 54 H LYS 54 7.302 7.861 -7.304 380 HA LYS 54 HA LYS 54 4.893 6.998 -8.551 381 1HB LYS 54 2HB LYS 54 6.049 9.225 -8.924 382 2HB LYS 54 1HB LYS 54 7.243 8.365 -9.883 383 1HG LYS 54 2HG LYS 54 4.325 8.198 -10.544 384 2HG LYS 54 1HG LYS 54 5.310 9.556 -11.085 385 1HD LYS 54 2HD LYS 54 6.736 8.118 -12.347 386 2HD LYS 54 1HD LYS 54 6.024 6.677 -11.622 387 1HE LYS 54 2HE LYS 54 5.157 6.927 -13.845 388 2HE LYS 54 1HE LYS 54 3.866 7.260 -12.696 389 1HZ LYS 54 1HZ LYS 54 5.440 9.268 -14.219 390 2HZ LYS 54 2HZ LYS 54 4.293 9.647 -13.033 391 3HZ LYS 54 3HZ LYS 54 3.811 8.862 -14.453 392 H LYS 55 H LYS 55 8.299 6.130 -8.833 393 HA LYS 55 HA LYS 55 8.045 4.396 -11.043 394 1HB LYS 55 2HB LYS 55 10.017 4.248 -8.754 395 2HB LYS 55 1HB LYS 55 10.174 3.418 -10.295 396 1HG LYS 55 2HG LYS 55 10.195 5.670 -11.396 397 2HG LYS 55 1HG LYS 55 10.297 6.377 -9.781 398 1HD LYS 55 2HD LYS 55 12.518 6.206 -10.675 399 2HD LYS 55 1HD LYS 55 12.345 5.009 -9.389 400 1HE LYS 55 2HE LYS 55 11.835 3.310 -11.148 401 2HE LYS 55 1HE LYS 55 12.215 4.528 -12.363 402 1HZ LYS 55 1HZ LYS 55 14.450 4.698 -11.295 403 2HZ LYS 55 2HZ LYS 55 14.135 3.208 -12.042 404 3HZ LYS 55 3HZ LYS 55 14.048 3.342 -10.357 405 H LEU 56 H LEU 56 7.690 3.922 -7.575 406 HA LEU 56 HA LEU 56 7.308 1.127 -7.614 407 1HB LEU 56 2HB LEU 56 6.381 3.257 -5.700 408 2HB LEU 56 1HB LEU 56 6.114 1.546 -5.427 409 HG LEU 56 HG LEU 56 8.821 2.852 -5.701 410 1HD1 LEU 56 1HD1 LEU 56 9.021 2.438 -3.309 411 2HD1 LEU 56 2HD1 LEU 56 7.372 1.815 -3.270 412 3HD1 LEU 56 3HD1 LEU 56 7.665 3.512 -3.653 413 1HD2 LEU 56 1HD2 LEU 56 9.687 0.702 -4.980 414 2HD2 LEU 56 2HD2 LEU 56 8.744 0.513 -6.459 415 3HD2 LEU 56 3HD2 LEU 56 8.052 0.047 -4.904 416 H LEU 57 H LEU 57 4.981 3.821 -7.614 417 HA LEU 57 HA LEU 57 2.638 2.311 -7.832 418 1HB LEU 57 2HB LEU 57 2.648 4.722 -7.369 419 2HB LEU 57 1HB LEU 57 3.259 5.038 -8.982 420 HG LEU 57 HG LEU 57 1.155 4.103 -9.920 421 1HD1 LEU 57 1HD1 LEU 57 0.267 4.073 -7.038 422 2HD1 LEU 57 2HD1 LEU 57 0.522 2.661 -8.064 423 3HD1 LEU 57 3HD1 LEU 57 -0.769 3.802 -8.441 424 1HD2 LEU 57 1HD2 LEU 57 0.844 6.403 -7.995 425 2HD2 LEU 57 2HD2 LEU 57 -0.240 6.031 -9.335 426 3HD2 LEU 57 3HD2 LEU 57 1.429 6.498 -9.656 427 H LYS 58 H LYS 58 4.794 3.606 -10.316 428 HA LYS 58 HA LYS 58 3.425 2.793 -12.595 429 1HB LYS 58 2HB LYS 58 5.472 4.244 -12.517 430 2HB LYS 58 1HB LYS 58 6.424 2.791 -12.246 431 1HG LYS 58 2HG LYS 58 5.367 1.941 -14.429 432 2HG LYS 58 1HG LYS 58 4.928 3.629 -14.701 433 1HD LYS 58 2HD LYS 58 6.989 3.391 -15.785 434 2HD LYS 58 1HD LYS 58 7.398 4.143 -14.241 435 1HE LYS 58 2HE LYS 58 8.984 2.423 -14.563 436 2HE LYS 58 1HE LYS 58 7.839 1.811 -13.370 437 1HZ LYS 58 1HZ LYS 58 6.705 0.620 -15.197 438 2HZ LYS 58 2HZ LYS 58 8.304 0.113 -14.988 439 3HZ LYS 58 3HZ LYS 58 7.909 1.142 -16.266 440 H ALA 59 H ALA 59 5.788 1.025 -10.626 441 HA ALA 59 HA ALA 59 5.948 -1.261 -12.258 442 1HB ALA 59 1HB ALA 59 6.923 -2.369 -10.300 443 2HB ALA 59 2HB ALA 59 6.428 -1.010 -9.291 444 3HB ALA 59 3HB ALA 59 7.621 -0.774 -10.569 445 H VAL 60 H VAL 60 3.858 -0.491 -9.503 446 HA VAL 60 HA VAL 60 2.583 -3.016 -9.381 447 HB VAL 60 HB VAL 60 1.572 -0.311 -8.483 448 1HG1 VAL 60 1HG1 VAL 60 -0.269 -1.894 -8.764 449 2HG1 VAL 60 2HG1 VAL 60 0.015 -1.549 -7.058 450 3HG1 VAL 60 3HG1 VAL 60 0.579 -3.067 -7.757 451 1HG2 VAL 60 1HG2 VAL 60 2.283 -1.062 -6.252 452 2HG2 VAL 60 2HG2 VAL 60 3.631 -0.939 -7.381 453 3HG2 VAL 60 3HG2 VAL 60 2.963 -2.519 -6.976 454 H VAL 61 H VAL 61 1.645 0.048 -10.923 455 HA VAL 61 HA VAL 61 -0.781 -0.874 -12.023 456 HB VAL 61 HB VAL 61 1.036 1.346 -12.980 457 1HG1 VAL 61 1HG1 VAL 61 -1.851 0.798 -13.661 458 2HG1 VAL 61 2HG1 VAL 61 -0.477 0.623 -14.752 459 3HG1 VAL 61 3HG1 VAL 61 -0.927 2.218 -14.150 460 1HG2 VAL 61 1HG2 VAL 61 0.257 1.671 -10.698 461 2HG2 VAL 61 2HG2 VAL 61 -1.409 1.397 -11.210 462 3HG2 VAL 61 3HG2 VAL 61 -0.531 2.814 -11.786 463 H GLU 62 H GLU 62 2.503 -0.773 -13.295 464 HA GLU 62 HA GLU 62 1.941 -1.626 -15.912 465 1HB GLU 62 2HB GLU 62 4.085 -0.618 -15.011 466 2HB GLU 62 1HB GLU 62 4.456 -2.199 -14.342 467 1HG GLU 62 2HG GLU 62 4.659 -3.162 -16.479 468 2HG GLU 62 1HG GLU 62 3.942 -1.754 -17.266 469 H HIS 63 H HIS 63 2.817 -3.421 -12.984 470 HA HIS 63 HA HIS 63 2.787 -5.993 -14.151 471 1HB HIS 63 2HB HIS 63 3.788 -5.274 -11.908 472 2HB HIS 63 1HB HIS 63 2.154 -5.386 -11.265 473 HD1 HIS 63 HD1 HIS 63 3.901 -7.809 -13.622 474 HD2 HIS 63 HD2 HIS 63 2.271 -7.663 -9.793 475 HE1 HIS 63 HE1 HIS 63 4.058 -10.154 -12.721 476 HE2 HIS 63 HE2 HIS 63 3.338 -9.967 -10.318 477 H ALA 64 H ALA 64 0.315 -4.018 -12.611 478 HA ALA 64 HA ALA 64 -1.748 -5.938 -12.598 479 1HB ALA 64 1HB ALA 64 -1.954 -2.936 -12.805 480 2HB ALA 64 2HB ALA 64 -1.869 -3.863 -11.308 481 3HB ALA 64 3HB ALA 64 -3.265 -4.033 -12.373 482 H ARG 65 H ARG 65 -0.741 -3.528 -14.974 483 HA ARG 65 HA ARG 65 -2.809 -3.952 -16.830 484 1HB ARG 65 2HB ARG 65 -1.202 -2.018 -16.782 485 2HB ARG 65 1HB ARG 65 0.016 -3.090 -17.454 486 1HG ARG 65 2HG ARG 65 -1.255 -3.373 -19.466 487 2HG ARG 65 1HG ARG 65 -2.609 -2.469 -18.788 488 1HD ARG 65 2HD ARG 65 -1.068 -0.502 -18.576 489 2HD ARG 65 1HD ARG 65 0.131 -1.424 -19.483 490 HE ARG 65 HE ARG 65 -1.216 -1.252 -21.401 491 1HH1 ARG 65 2HH1 ARG 65 -2.564 0.414 -18.638 492 2HH1 ARG 65 1HH1 ARG 65 -3.721 1.318 -19.566 493 1HH2 ARG 65 1HH2 ARG 65 -2.686 -0.002 -22.649 494 2HH2 ARG 65 2HH2 ARG 65 -3.767 1.091 -21.848 495 H GLU 66 H GLU 66 0.309 -5.544 -16.378 496 HA GLU 66 HA GLU 66 0.339 -7.124 -18.690 497 1HB GLU 66 2HB GLU 66 1.352 -7.850 -15.930 498 2HB GLU 66 1HB GLU 66 1.786 -8.667 -17.420 499 1HG GLU 66 2HG GLU 66 2.873 -6.650 -18.227 500 2HG GLU 66 1HG GLU 66 2.407 -5.804 -16.751 501 H ASN 67 H ASN 67 -1.205 -7.613 -15.557 502 HA ASN 67 HA ASN 67 -2.067 -10.288 -16.395 503 1HB ASN 67 2HB ASN 67 -1.821 -9.032 -13.656 504 2HB ASN 67 1HB ASN 67 -2.488 -10.636 -13.942 505 1HD2 ASN 67 1HD2 ASN 67 0.394 -8.666 -14.064 506 2HD2 ASN 67 2HD2 ASN 67 1.522 -9.982 -14.164 507 H ASN 68 H ASN 68 -3.346 -7.466 -16.823 508 HA ASN 68 HA ASN 68 -5.458 -6.692 -17.181 509 1HB ASN 68 2HB ASN 68 -6.102 -9.618 -16.795 510 2HB ASN 68 1HB ASN 68 -7.309 -8.418 -17.249 511 1HD2 ASN 68 1HD2 ASN 68 -7.355 -7.631 -19.309 512 2HD2 ASN 68 2HD2 ASN 68 -6.371 -8.266 -20.586 513 H LEU 69 H LEU 69 -4.333 -6.677 -14.503 514 HA LEU 69 HA LEU 69 -6.449 -7.335 -12.667 515 1HB LEU 69 2HB LEU 69 -3.901 -5.778 -12.217 516 2HB LEU 69 1HB LEU 69 -4.977 -6.362 -10.961 517 HG LEU 69 HG LEU 69 -3.354 -8.078 -12.844 518 1HD1 LEU 69 1HD1 LEU 69 -3.089 -7.557 -9.888 519 2HD1 LEU 69 2HD1 LEU 69 -1.998 -6.987 -11.150 520 3HD1 LEU 69 3HD1 LEU 69 -2.137 -8.713 -10.818 521 1HD2 LEU 69 1HD2 LEU 69 -5.175 -8.868 -10.573 522 2HD2 LEU 69 2HD2 LEU 69 -4.138 -9.958 -11.494 523 3HD2 LEU 69 3HD2 LEU 69 -5.479 -9.134 -12.291 524 H LYS 70 H LYS 70 -7.483 -5.817 -11.275 525 HA LYS 70 HA LYS 70 -7.911 -3.197 -12.540 526 1HB LYS 70 2HB LYS 70 -9.717 -5.000 -10.954 527 2HB LYS 70 1HB LYS 70 -10.033 -3.273 -11.015 528 1HG LYS 70 2HG LYS 70 -11.360 -4.400 -12.676 529 2HG LYS 70 1HG LYS 70 -10.145 -3.399 -13.470 530 1HD LYS 70 2HD LYS 70 -8.730 -5.521 -13.595 531 2HD LYS 70 1HD LYS 70 -10.210 -6.389 -13.173 532 1HE LYS 70 2HE LYS 70 -9.876 -6.329 -15.590 533 2HE LYS 70 1HE LYS 70 -11.329 -5.445 -15.124 534 1HZ LYS 70 1HZ LYS 70 -9.952 -4.298 -16.809 535 2HZ LYS 70 2HZ LYS 70 -8.707 -4.164 -15.667 536 3HZ LYS 70 3HZ LYS 70 -10.184 -3.380 -15.400 537 H ILE 71 H ILE 71 -7.713 -1.350 -11.322 538 HA ILE 71 HA ILE 71 -6.307 -1.795 -8.772 539 HB ILE 71 HB ILE 71 -5.974 0.505 -10.704 540 1HG1 ILE 71 2HG1 ILE 71 -4.141 -1.830 -10.106 541 2HG1 ILE 71 1HG1 ILE 71 -5.097 -1.636 -11.572 542 1HG2 ILE 71 1HG2 ILE 71 -4.052 1.111 -9.305 543 2HG2 ILE 71 2HG2 ILE 71 -4.450 -0.200 -8.195 544 3HG2 ILE 71 3HG2 ILE 71 -5.559 1.157 -8.390 545 1HD1 ILE 71 1HD1 ILE 71 -2.864 0.160 -10.658 546 2HD1 ILE 71 2HD1 ILE 71 -3.838 0.391 -12.111 547 3HD1 ILE 71 3HD1 ILE 71 -2.795 -1.025 -11.963 548 H ILE 72 H ILE 72 -7.300 -1.143 -7.028 549 HA ILE 72 HA ILE 72 -8.829 1.371 -7.145 550 HB ILE 72 HB ILE 72 -10.167 0.522 -5.195 551 1HG1 ILE 72 2HG1 ILE 72 -9.024 -2.160 -6.013 552 2HG1 ILE 72 1HG1 ILE 72 -8.620 -1.296 -4.533 553 1HG2 ILE 72 1HG2 ILE 72 -11.093 0.586 -7.446 554 2HG2 ILE 72 2HG2 ILE 72 -11.704 -0.805 -6.552 555 3HG2 ILE 72 3HG2 ILE 72 -10.446 -1.022 -7.770 556 1HD1 ILE 72 1HD1 ILE 72 -11.342 -2.341 -5.273 557 2HD1 ILE 72 2HD1 ILE 72 -10.927 -1.487 -3.785 558 3HD1 ILE 72 3HD1 ILE 72 -10.223 -3.070 -4.120 559 H ALA 73 H ALA 73 -8.349 2.860 -5.546 560 HA ALA 73 HA ALA 73 -6.252 2.088 -3.649 561 1HB ALA 73 1HB ALA 73 -6.082 4.502 -5.452 562 2HB ALA 73 2HB ALA 73 -5.134 3.023 -5.618 563 3HB ALA 73 3HB ALA 73 -4.925 4.052 -4.201 564 H SER 74 H SER 74 -6.759 2.711 -1.672 565 HA SER 74 HA SER 74 -8.777 4.753 -1.252 566 1HB SER 74 2HB SER 74 -8.261 4.091 1.218 567 2HB SER 74 1HB SER 74 -9.109 2.941 0.185 568 HG SER 74 HG SER 74 -7.222 2.174 1.472 569 H CYS 75 H CYS 75 -5.360 4.375 -1.159 570 HA CYS 75 HA CYS 75 -4.702 6.648 0.395 571 1HB CYS 75 2HB CYS 75 -3.080 4.868 -0.121 572 2HB CYS 75 1HB CYS 75 -3.150 5.294 -1.826 573 HG CYS 75 HG CYS 75 -2.356 7.952 -0.039 574 H SER 76 H SER 76 -5.410 8.626 -0.096 575 HA SER 76 HA SER 76 -6.427 9.434 -2.558 576 1HB SER 76 2HB SER 76 -5.320 11.204 -0.367 577 2HB SER 76 1HB SER 76 -6.480 11.674 -1.612 578 HG SER 76 HG SER 76 -8.028 10.499 -0.651 579 H PHE 77 H PHE 77 -3.173 9.733 -1.235 580 HA PHE 77 HA PHE 77 -2.082 11.520 -3.081 581 1HB PHE 77 2HB PHE 77 -0.917 10.828 -1.041 582 2HB PHE 77 1HB PHE 77 -0.755 9.193 -1.669 583 HD1 PHE 77 HD1 PHE 77 0.143 12.709 -2.488 584 HD2 PHE 77 HD2 PHE 77 1.178 8.593 -2.768 585 HE1 PHE 77 HE1 PHE 77 2.299 13.324 -3.496 586 HE2 PHE 77 HE2 PHE 77 3.338 9.201 -3.777 587 HZ PHE 77 HZ PHE 77 3.902 11.571 -4.140 588 H ALA 78 H ALA 78 -1.934 7.956 -3.152 589 HA ALA 78 HA ALA 78 -0.830 7.824 -5.757 590 1HB ALA 78 1HB ALA 78 -1.268 5.445 -5.632 591 2HB ALA 78 2HB ALA 78 -2.343 5.689 -4.257 592 3HB ALA 78 3HB ALA 78 -0.618 6.016 -4.095 593 H LYS 79 H LYS 79 -4.108 7.662 -4.497 594 HA LYS 79 HA LYS 79 -5.447 6.818 -6.790 595 1HB LYS 79 2HB LYS 79 -6.432 6.954 -4.513 596 2HB LYS 79 1HB LYS 79 -6.462 8.704 -4.650 597 1HG LYS 79 2HG LYS 79 -7.860 7.054 -6.705 598 2HG LYS 79 1HG LYS 79 -8.603 7.287 -5.123 599 1HD LYS 79 2HD LYS 79 -7.652 9.561 -6.861 600 2HD LYS 79 1HD LYS 79 -9.296 8.926 -6.913 601 1HE LYS 79 2HE LYS 79 -7.956 9.995 -4.435 602 2HE LYS 79 1HE LYS 79 -9.030 10.933 -5.471 603 1HZ LYS 79 1HZ LYS 79 -10.135 9.968 -3.506 604 2HZ LYS 79 2HZ LYS 79 -9.817 8.414 -4.106 605 3HZ LYS 79 3HZ LYS 79 -10.828 9.466 -4.969 606 H HIS 80 H HIS 80 -4.589 10.101 -5.743 607 HA HIS 80 HA HIS 80 -6.048 11.343 -7.866 608 1HB HIS 80 2HB HIS 80 -5.537 12.399 -5.638 609 2HB HIS 80 1HB HIS 80 -3.871 12.578 -6.175 610 HD1 HIS 80 HD1 HIS 80 -7.166 13.379 -7.935 611 HD2 HIS 80 HD2 HIS 80 -3.583 15.183 -6.811 612 HE1 HIS 80 HE1 HIS 80 -7.277 15.729 -8.820 613 HE2 HIS 80 HE2 HIS 80 -5.212 16.860 -7.922 614 H MET 81 H MET 81 -2.928 9.921 -7.648 615 HA MET 81 HA MET 81 -1.869 11.352 -9.924 616 1HB MET 81 2HB MET 81 -0.875 8.945 -8.397 617 2HB MET 81 1HB MET 81 -0.057 9.571 -9.821 618 1HG MET 81 2HG MET 81 0.167 11.753 -8.664 619 2HG MET 81 1HG MET 81 -0.514 11.009 -7.220 620 1HE MET 81 1HE MET 81 2.206 8.336 -6.323 621 2HE MET 81 2HE MET 81 0.742 8.111 -7.278 622 3HE MET 81 3HE MET 81 0.699 9.101 -5.820 623 H LEU 82 H LEU 82 -3.421 8.271 -9.278 624 HA LEU 82 HA LEU 82 -3.262 7.268 -11.944 625 1HB LEU 82 2HB LEU 82 -5.301 6.649 -9.800 626 2HB LEU 82 1HB LEU 82 -4.981 5.686 -11.227 627 HG LEU 82 HG LEU 82 -2.990 6.155 -9.008 628 1HD1 LEU 82 1HD1 LEU 82 -4.713 3.747 -9.576 629 2HD1 LEU 82 2HD1 LEU 82 -4.899 4.859 -8.219 630 3HD1 LEU 82 3HD1 LEU 82 -3.453 3.857 -8.346 631 1HD2 LEU 82 1HD2 LEU 82 -1.953 5.703 -11.157 632 2HD2 LEU 82 2HD2 LEU 82 -2.965 4.271 -11.360 633 3HD2 LEU 82 3HD2 LEU 82 -1.762 4.327 -10.069 634 H GLU 83 H GLU 83 -5.445 9.273 -10.152 635 HA GLU 83 HA GLU 83 -7.595 9.358 -11.997 636 1HB GLU 83 2HB GLU 83 -7.875 9.847 -9.633 637 2HB GLU 83 1HB GLU 83 -6.759 11.196 -9.745 638 1HG GLU 83 2HG GLU 83 -8.357 12.337 -11.241 639 2HG GLU 83 1HG GLU 83 -9.486 11.003 -10.997 640 H LYS 84 H LYS 84 -4.518 10.798 -12.034 641 HA LYS 84 HA LYS 84 -5.215 13.311 -13.197 642 1HB LYS 84 2HB LYS 84 -3.154 13.025 -11.909 643 2HB LYS 84 1HB LYS 84 -2.553 11.885 -13.105 644 1HG LYS 84 2HG LYS 84 -2.655 13.707 -14.798 645 2HG LYS 84 1HG LYS 84 -3.077 14.822 -13.499 646 1HD LYS 84 2HD LYS 84 -0.553 13.174 -13.646 647 2HD LYS 84 1HD LYS 84 -0.680 14.889 -14.035 648 1HE LYS 84 2HE LYS 84 -1.330 15.384 -11.747 649 2HE LYS 84 1HE LYS 84 -1.291 13.668 -11.346 650 1HZ LYS 84 1HZ LYS 84 1.032 15.317 -12.182 651 2HZ LYS 84 2HZ LYS 84 1.085 13.657 -11.856 652 3HZ LYS 84 3HZ LYS 84 0.719 14.755 -10.613 653 H GLU 85 H GLU 85 -3.606 10.423 -14.580 654 HA GLU 85 HA GLU 85 -4.157 11.584 -17.225 655 1HB GLU 85 2HB GLU 85 -2.163 10.348 -18.024 656 2HB GLU 85 1HB GLU 85 -1.789 11.549 -16.799 657 1HG GLU 85 2HG GLU 85 -1.684 9.772 -15.109 658 2HG GLU 85 1HG GLU 85 -2.014 8.579 -16.365 659 H ASP 86 H ASP 86 -4.835 10.291 -18.900 660 HA ASP 86 HA ASP 86 -6.527 8.118 -18.106 661 1HB ASP 86 2HB ASP 86 -5.954 9.436 -20.750 662 2HB ASP 86 1HB ASP 86 -6.975 8.006 -20.636 663 H SER 87 H SER 87 -3.298 8.230 -18.851 664 HA SER 87 HA SER 87 -2.903 5.845 -20.288 665 1HB SER 87 2HB SER 87 -1.126 7.519 -19.924 666 2HB SER 87 1HB SER 87 -1.121 7.144 -18.204 667 HG SER 87 HG SER 87 -0.505 5.309 -20.297 668 H TYR 88 H TYR 88 -3.848 6.474 -17.048 669 HA TYR 88 HA TYR 88 -3.445 3.655 -16.288 670 1HB TYR 88 2HB TYR 88 -3.734 6.128 -14.556 671 2HB TYR 88 1HB TYR 88 -3.630 4.487 -13.936 672 HD1 TYR 88 HD1 TYR 88 -1.679 6.566 -16.377 673 HD2 TYR 88 HD2 TYR 88 -1.595 3.984 -13.004 674 HE1 TYR 88 HE1 TYR 88 0.767 6.767 -16.297 675 HE2 TYR 88 HE2 TYR 88 0.855 4.175 -12.913 676 HH TYR 88 HH TYR 88 2.588 6.485 -14.832 677 H GLN 89 H GLN 89 -5.714 5.288 -17.696 678 HA GLN 89 HA GLN 89 -7.861 5.278 -15.779 679 1HB GLN 89 2HB GLN 89 -7.685 7.058 -17.421 680 2HB GLN 89 1HB GLN 89 -7.801 5.901 -18.734 681 1HG GLN 89 2HG GLN 89 -9.887 7.052 -18.483 682 2HG GLN 89 1HG GLN 89 -10.094 5.364 -18.030 683 1HE2 GLN 89 1HE2 GLN 89 -11.657 7.745 -17.337 684 2HE2 GLN 89 2HE2 GLN 89 -11.698 7.790 -15.605 685 H ASP 90 H ASP 90 -6.651 3.009 -18.071 686 HA ASP 90 HA ASP 90 -9.219 1.648 -18.257 687 1HB ASP 90 2HB ASP 90 -8.111 0.120 -19.811 688 2HB ASP 90 1HB ASP 90 -7.874 1.796 -20.289 689 H VAL 91 H VAL 91 -6.413 1.553 -16.345 690 HA VAL 91 HA VAL 91 -6.982 -1.187 -15.473 691 HB VAL 91 HB VAL 91 -4.815 -0.993 -14.202 692 1HG1 VAL 91 1HG1 VAL 91 -4.684 -0.622 -17.193 693 2HG1 VAL 91 2HG1 VAL 91 -4.964 -2.144 -16.347 694 3HG1 VAL 91 3HG1 VAL 91 -3.415 -1.314 -16.182 695 1HG2 VAL 91 1HG2 VAL 91 -4.543 1.534 -15.828 696 2HG2 VAL 91 2HG2 VAL 91 -3.251 0.769 -14.905 697 3HG2 VAL 91 3HG2 VAL 91 -4.658 1.430 -14.071 698 H TYR 92 H TYR 92 -6.729 2.128 -14.282 699 HA TYR 92 HA TYR 92 -7.622 1.322 -11.636 700 1HB TYR 92 2HB TYR 92 -5.977 3.056 -11.619 701 2HB TYR 92 1HB TYR 92 -6.845 3.986 -12.835 702 HD1 TYR 92 HD1 TYR 92 -8.069 5.804 -12.125 703 HD2 TYR 92 HD2 TYR 92 -7.385 2.614 -9.391 704 HE1 TYR 92 HE1 TYR 92 -9.229 7.067 -10.367 705 HE2 TYR 92 HE2 TYR 92 -8.545 3.872 -7.626 706 HH TYR 92 HH TYR 92 -9.127 6.174 -7.087 707 H LEU 93 H LEU 93 -9.631 1.741 -10.792 708 HA LEU 93 HA LEU 93 -11.758 2.205 -12.677 709 1HB LEU 93 2HB LEU 93 -11.723 1.706 -9.705 710 2HB LEU 93 1HB LEU 93 -13.200 2.049 -10.580 711 HG LEU 93 HG LEU 93 -12.777 0.022 -11.982 712 1HD1 LEU 93 1HD1 LEU 93 -10.622 -0.554 -9.956 713 2HD1 LEU 93 2HD1 LEU 93 -10.348 -0.120 -11.644 714 3HD1 LEU 93 3HD1 LEU 93 -11.171 -1.628 -11.244 715 1HD2 LEU 93 1HD2 LEU 93 -13.436 -1.575 -10.260 716 2HD2 LEU 93 2HD2 LEU 93 -14.297 -0.044 -10.085 717 3HD2 LEU 93 3HD2 LEU 93 -12.952 -0.429 -9.010 718 H GLY 94 H GLY 94 -11.259 4.317 -13.367 719 1HA GLY 94 2HA GLY 94 -11.357 6.422 -11.315 720 2HA GLY 94 1HA GLY 94 -10.646 6.585 -12.913 721 H LEU 95 H LEU 95 -13.773 5.960 -11.353 722 HA LEU 95 HA LEU 95 -14.948 7.872 -13.258 723 1HB LEU 95 2HB LEU 95 -15.681 5.571 -13.779 724 2HB LEU 95 1HB LEU 95 -16.291 5.404 -12.142 725 HG LEU 95 HG LEU 95 -17.874 7.280 -12.602 726 1HD1 LEU 95 1HD1 LEU 95 -16.671 8.369 -14.401 727 2HD1 LEU 95 2HD1 LEU 95 -18.287 7.903 -14.934 728 3HD1 LEU 95 3HD1 LEU 95 -16.887 6.952 -15.431 729 1HD2 LEU 95 1HD2 LEU 95 -19.416 5.954 -13.947 730 2HD2 LEU 95 2HD2 LEU 95 -18.588 4.952 -12.755 731 3HD2 LEU 95 3HD2 LEU 95 -18.089 4.904 -14.446 732 H GLU 96 H GLU 96 -15.056 9.634 -11.989 733 HA GLU 96 HA GLU 96 -15.684 9.651 -9.233 734 1HB GLU 96 2HB GLU 96 -14.527 11.525 -10.225 735 2HB GLU 96 1HB GLU 96 -15.846 11.802 -11.355 736 1HG GLU 96 2HG GLU 96 -17.308 12.326 -9.397 737 2HG GLU 96 1HG GLU 96 -15.874 12.230 -8.376 738 H HIS 97 H HIS 97 -17.615 9.584 -8.207 739 HA HIS 97 HA HIS 97 -20.029 9.299 -9.694 740 1HB HIS 97 2HB HIS 97 -21.165 9.329 -7.469 741 2HB HIS 97 1HB HIS 97 -19.891 8.129 -7.598 742 HD1 HIS 97 HD1 HIS 97 -17.709 8.561 -6.198 743 HD2 HIS 97 HD2 HIS 97 -20.824 11.235 -5.492 744 HE1 HIS 97 HE1 HIS 97 -17.111 9.769 -4.069 745 HE2 HIS 97 HE2 HIS 97 -18.985 11.412 -3.688 746 H HIS 98 H HIS 98 -20.469 11.017 -10.905 747 HA HIS 98 HA HIS 98 -20.526 13.663 -9.601 748 1HB HIS 98 2HB HIS 98 -19.005 13.082 -11.665 749 2HB HIS 98 1HB HIS 98 -20.497 13.248 -12.580 750 HD1 HIS 98 HD1 HIS 98 -17.753 15.161 -11.118 751 HD2 HIS 98 HD2 HIS 98 -21.632 15.929 -12.423 752 HE1 HIS 98 HE1 HIS 98 -17.885 17.652 -11.442 753 HE2 HIS 98 HE2 HIS 98 -20.172 18.066 -12.418 754 H HIS 99 H HIS 99 -22.500 11.242 -10.226 755 HA HIS 99 HA HIS 99 -24.574 12.564 -11.717 756 1HB HIS 99 2HB HIS 99 -24.215 10.138 -11.955 757 2HB HIS 99 1HB HIS 99 -24.655 9.911 -10.265 758 HD1 HIS 99 HD1 HIS 99 -26.246 11.389 -13.399 759 HD2 HIS 99 HD2 HIS 99 -27.275 9.319 -9.938 760 HE1 HIS 99 HE1 HIS 99 -28.717 10.937 -13.584 761 HE2 HIS 99 HE2 HIS 99 -29.284 9.553 -11.555 762 H HIS 100 H HIS 100 -24.915 14.366 -10.385 763 HA HIS 100 HA HIS 100 -27.180 13.868 -8.644 764 1HB HIS 100 2HB HIS 100 -24.687 15.277 -7.713 765 2HB HIS 100 1HB HIS 100 -26.258 15.743 -7.076 766 HD1 HIS 100 HD1 HIS 100 -27.625 13.240 -6.395 767 HD2 HIS 100 HD2 HIS 100 -23.517 13.662 -5.913 768 HE1 HIS 100 HE1 HIS 100 -26.965 11.530 -4.674 769 HE2 HIS 100 HE2 HIS 100 -24.533 11.994 -4.212 770 H HIS 101 H HIS 101 -28.645 15.653 -8.647 771 HA HIS 101 HA HIS 101 -27.922 17.718 -10.620 772 1HB HIS 101 2HB HIS 101 -29.516 15.963 -11.493 773 2HB HIS 101 1HB HIS 101 -30.683 16.525 -10.303 774 HD1 HIS 101 HD1 HIS 101 -29.488 17.145 -13.677 775 HD2 HIS 101 HD2 HIS 101 -31.452 19.324 -10.736 776 HE1 HIS 101 HE1 HIS 101 -30.501 19.119 -14.861 777 HE2 HIS 101 HE2 HIS 101 -31.463 20.537 -13.015 778 H HIS 102 HN HIS 102 -27.851 19.640 -9.704 779 HA HIS 102 HA HIS 102 -30.155 20.472 -8.130 780 1HB HIS 102 2HB HIS 102 -28.899 21.518 -6.399 781 2HB HIS 102 1HB HIS 102 -28.289 19.878 -6.531 782 HD1 HIS 102 HD1 HIS 102 -25.833 19.588 -7.374 783 HD2 HIS 102 HD2 HIS 102 -27.071 23.541 -6.976 784 HE1 HIS 102 HE1 HIS 102 -23.736 20.970 -7.430 785 HE2 HIS 102 HE2 HIS 102 -24.496 23.324 -6.953 Start of MODEL 4 1 1H MET 1 1H MET 1 25.530 3.494 -4.553 2 2H MET 1 2H MET 1 24.186 2.604 -4.043 3 3H MET 1 3H MET 1 25.715 2.258 -3.401 4 HA MET 1 HA MET 1 24.416 3.477 -1.808 5 1HB MET 1 2HB MET 1 26.583 5.167 -3.085 6 2HB MET 1 1HB MET 1 25.924 5.427 -1.474 7 1HG MET 1 2HG MET 1 26.737 3.217 -0.799 8 2HG MET 1 1HG MET 1 27.423 2.985 -2.407 9 1HE MET 1 1HE MET 1 30.609 3.471 -0.199 10 2HE MET 1 2HE MET 1 29.803 2.453 -1.391 11 3HE MET 1 3HE MET 1 29.122 2.624 0.227 12 H SER 2 H SER 2 22.818 4.904 -1.414 13 HA SER 2 HA SER 2 21.067 6.283 -1.834 14 1HB SER 2 2HB SER 2 22.876 7.556 -3.910 15 2HB SER 2 1HB SER 2 21.437 8.276 -3.191 16 HG SER 2 HG SER 2 22.536 8.765 -1.454 17 H ASN 3 H ASN 3 21.023 3.831 -2.955 18 HA ASN 3 HA ASN 3 20.446 3.951 -5.775 19 1HB ASN 3 2HB ASN 3 20.331 1.738 -3.731 20 2HB ASN 3 1HB ASN 3 19.760 1.514 -5.380 21 1HD2 ASN 3 1HD2 ASN 3 21.306 -0.066 -5.771 22 2HD2 ASN 3 2HD2 ASN 3 22.975 0.328 -6.018 23 H LEU 4 H LEU 4 18.555 4.292 -6.681 24 HA LEU 4 HA LEU 4 16.142 4.369 -5.031 25 1HB LEU 4 2HB LEU 4 16.767 5.279 -7.836 26 2HB LEU 4 1HB LEU 4 15.119 5.175 -7.254 27 HG LEU 4 HG LEU 4 15.798 7.446 -7.062 28 1HD1 LEU 4 1HD1 LEU 4 15.932 6.148 -4.349 29 2HD1 LEU 4 2HD1 LEU 4 14.470 6.633 -5.207 30 3HD1 LEU 4 3HD1 LEU 4 15.616 7.856 -4.659 31 1HD2 LEU 4 1HD2 LEU 4 17.763 8.151 -5.775 32 2HD2 LEU 4 2HD2 LEU 4 18.205 7.162 -7.168 33 3HD2 LEU 4 3HD2 LEU 4 18.212 6.459 -5.550 34 H GLU 5 H GLU 5 17.478 1.888 -5.633 35 HA GLU 5 HA GLU 5 16.054 0.520 -7.690 36 1HB GLU 5 2HB GLU 5 18.328 -0.134 -6.913 37 2HB GLU 5 1HB GLU 5 17.621 -0.647 -5.387 38 1HG GLU 5 2HG GLU 5 17.993 -2.550 -6.827 39 2HG GLU 5 1HG GLU 5 16.265 -2.302 -6.576 40 H ILE 6 H ILE 6 14.351 -0.849 -7.527 41 HA ILE 6 HA ILE 6 12.615 -0.414 -5.254 42 HB ILE 6 HB ILE 6 12.126 -2.075 -7.735 43 1HG1 ILE 6 2HG1 ILE 6 11.263 0.764 -7.128 44 2HG1 ILE 6 1HG1 ILE 6 12.570 0.324 -8.223 45 1HG2 ILE 6 1HG2 ILE 6 10.673 -2.685 -5.878 46 2HG2 ILE 6 2HG2 ILE 6 9.757 -1.851 -7.135 47 3HG2 ILE 6 3HG2 ILE 6 10.216 -0.994 -5.665 48 1HD1 ILE 6 1HD1 ILE 6 9.669 -0.404 -8.564 49 2HD1 ILE 6 2HD1 ILE 6 10.978 -0.824 -9.667 50 3HD1 ILE 6 3HD1 ILE 6 10.531 0.866 -9.431 51 H LYS 7 H LYS 7 13.134 -1.595 -3.499 52 HA LYS 7 HA LYS 7 13.949 -4.347 -3.690 53 1HB LYS 7 2HB LYS 7 13.161 -2.600 -1.355 54 2HB LYS 7 1HB LYS 7 13.599 -4.290 -1.176 55 1HG LYS 7 2HG LYS 7 15.821 -3.820 -2.069 56 2HG LYS 7 1HG LYS 7 15.380 -2.122 -2.274 57 1HD LYS 7 2HD LYS 7 15.146 -1.823 0.085 58 2HD LYS 7 1HD LYS 7 15.295 -3.556 0.377 59 1HE LYS 7 2HE LYS 7 17.361 -2.397 0.949 60 2HE LYS 7 1HE LYS 7 17.609 -3.493 -0.408 61 1HZ LYS 7 1HZ LYS 7 18.668 -1.260 -0.627 62 2HZ LYS 7 2HZ LYS 7 17.115 -0.586 -0.741 63 3HZ LYS 7 3HZ LYS 7 17.649 -1.688 -1.915 64 H GLN 8 H GLN 8 12.600 -5.963 -4.071 65 HA GLN 8 HA GLN 8 9.741 -5.432 -3.805 66 1HB GLN 8 2HB GLN 8 9.402 -7.339 -5.288 67 2HB GLN 8 1HB GLN 8 10.498 -6.169 -6.005 68 1HG GLN 8 2HG GLN 8 12.398 -7.575 -5.419 69 2HG GLN 8 1HG GLN 8 11.314 -8.737 -4.656 70 1HE2 GLN 8 1HE2 GLN 8 10.599 -7.006 -7.609 71 2HE2 GLN 8 2HE2 GLN 8 10.621 -8.390 -8.655 72 H GLY 9 H GLY 9 8.374 -6.628 -2.628 73 1HA GLY 9 2HA GLY 9 9.370 -9.008 -1.241 74 2HA GLY 9 1HA GLY 9 8.730 -7.688 -0.270 75 H GLU 10 H GLU 10 7.248 -9.559 0.348 76 HA GLU 10 HA GLU 10 5.367 -10.446 -1.618 77 1HB GLU 10 2HB GLU 10 5.285 -10.668 1.395 78 2HB GLU 10 1HB GLU 10 4.235 -11.531 0.277 79 1HG GLU 10 2HG GLU 10 6.165 -12.673 -0.677 80 2HG GLU 10 1HG GLU 10 7.232 -11.795 0.416 81 H ASN 11 H ASN 11 3.976 -9.113 -2.467 82 HA ASN 11 HA ASN 11 2.171 -7.756 -2.710 83 1HB ASN 11 2HB ASN 11 2.005 -7.880 0.308 84 2HB ASN 11 1HB ASN 11 0.812 -7.106 -0.725 85 1HD2 ASN 11 1HD2 ASN 11 0.889 -9.099 -2.802 86 2HD2 ASN 11 2HD2 ASN 11 0.129 -10.519 -2.168 87 H LYS 12 H LYS 12 5.059 -6.853 -1.623 88 HA LYS 12 HA LYS 12 4.276 -4.029 -1.493 89 1HB LYS 12 2HB LYS 12 5.922 -3.613 0.287 90 2HB LYS 12 1HB LYS 12 4.637 -4.693 0.803 91 1HG LYS 12 2HG LYS 12 6.056 -6.581 0.730 92 2HG LYS 12 1HG LYS 12 7.298 -5.701 -0.157 93 1HD LYS 12 2HD LYS 12 8.060 -5.890 2.080 94 2HD LYS 12 1HD LYS 12 7.551 -4.220 1.862 95 1HE LYS 12 2HE LYS 12 5.802 -6.337 3.103 96 2HE LYS 12 1HE LYS 12 6.884 -5.308 4.037 97 1HZ LYS 12 1HZ LYS 12 4.732 -4.345 4.093 98 2HZ LYS 12 2HZ LYS 12 4.555 -4.460 2.417 99 3HZ LYS 12 3HZ LYS 12 5.682 -3.367 3.076 100 H PHE 13 H PHE 13 5.468 -2.677 -2.633 101 HA PHE 13 HA PHE 13 8.183 -3.500 -3.438 102 1HB PHE 13 2HB PHE 13 6.198 -1.786 -4.962 103 2HB PHE 13 1HB PHE 13 7.889 -1.968 -5.410 104 HD1 PHE 13 HD1 PHE 13 4.620 -3.191 -5.872 105 HD2 PHE 13 HD2 PHE 13 8.697 -4.410 -5.815 106 HE1 PHE 13 HE1 PHE 13 4.044 -5.173 -7.217 107 HE2 PHE 13 HE2 PHE 13 8.130 -6.390 -7.157 108 HZ PHE 13 HZ PHE 13 5.801 -6.774 -7.860 109 H TYR 14 H TYR 14 9.611 -2.361 -2.256 110 HA TYR 14 HA TYR 14 8.860 0.398 -1.569 111 1HB TYR 14 2HB TYR 14 9.829 0.121 0.664 112 2HB TYR 14 1HB TYR 14 8.507 -1.006 0.401 113 HD1 TYR 14 HD1 TYR 14 11.930 -0.628 1.340 114 HD2 TYR 14 HD2 TYR 14 9.112 -3.420 -0.196 115 HE1 TYR 14 HE1 TYR 14 13.407 -2.477 2.010 116 HE2 TYR 14 HE2 TYR 14 10.575 -5.277 0.470 117 HH TYR 14 HH TYR 14 13.037 -5.610 0.870 118 H ILE 15 H ILE 15 10.261 1.863 -2.137 119 HA ILE 15 HA ILE 15 13.017 1.116 -2.754 120 HB ILE 15 HB ILE 15 11.586 3.759 -3.126 121 1HG1 ILE 15 2HG1 ILE 15 12.348 1.641 -5.151 122 2HG1 ILE 15 1HG1 ILE 15 10.718 1.947 -4.562 123 1HG2 ILE 15 1HG2 ILE 15 14.013 3.994 -2.811 124 2HG2 ILE 15 2HG2 ILE 15 13.507 4.429 -4.444 125 3HG2 ILE 15 3HG2 ILE 15 14.283 2.873 -4.146 126 1HD1 ILE 15 1HD1 ILE 15 11.069 2.935 -6.751 127 2HD1 ILE 15 2HD1 ILE 15 12.419 3.877 -6.120 128 3HD1 ILE 15 3HD1 ILE 15 10.781 4.181 -5.539 129 H GLY 16 H GLY 16 14.493 1.279 -1.201 130 1HA GLY 16 2HA GLY 16 14.929 3.558 0.357 131 2HA GLY 16 1HA GLY 16 14.004 2.416 1.323 132 H ASP 17 H ASP 17 16.303 2.983 2.366 133 HA ASP 17 HA ASP 17 18.311 1.079 1.416 134 1HB ASP 17 2HB ASP 17 18.895 3.476 2.015 135 2HB ASP 17 1HB ASP 17 18.574 3.050 3.692 136 H ASP 18 H ASP 18 15.780 1.263 3.579 137 HA ASP 18 HA ASP 18 16.461 -1.273 4.777 138 1HB ASP 18 2HB ASP 18 17.551 0.406 6.298 139 2HB ASP 18 1HB ASP 18 15.973 1.137 6.561 140 H GLU 19 H GLU 19 14.537 -2.029 6.141 141 HA GLU 19 HA GLU 19 12.102 -1.567 4.752 142 1HB GLU 19 2HB GLU 19 12.472 -2.828 7.480 143 2HB GLU 19 1HB GLU 19 11.077 -3.006 6.426 144 1HG GLU 19 2HG GLU 19 12.523 -4.123 4.766 145 2HG GLU 19 1HG GLU 19 13.860 -4.026 5.913 146 H ASN 20 H ASN 20 13.562 -0.279 7.637 147 HA ASN 20 HA ASN 20 11.191 1.190 8.441 148 1HB ASN 20 2HB ASN 20 14.034 1.288 9.489 149 2HB ASN 20 1HB ASN 20 12.654 2.094 10.222 150 1HD2 ASN 20 1HD2 ASN 20 14.203 -0.965 9.607 151 2HD2 ASN 20 2HD2 ASN 20 13.294 -1.874 10.773 152 H ASN 21 H ASN 21 13.997 1.646 6.515 153 HA ASN 21 HA ASN 21 13.499 4.538 6.344 154 1HB ASN 21 2HB ASN 21 15.819 3.650 7.012 155 2HB ASN 21 1HB ASN 21 15.970 3.120 5.341 156 1HD2 ASN 21 1HD2 ASN 21 17.497 5.099 6.879 157 2HD2 ASN 21 2HD2 ASN 21 17.390 6.574 5.975 158 H ALA 22 H ALA 22 11.707 3.008 5.112 159 HA ALA 22 HA ALA 22 12.411 2.920 2.278 160 1HB ALA 22 1HB ALA 22 11.166 1.019 3.217 161 2HB ALA 22 2HB ALA 22 10.248 1.846 1.960 162 3HB ALA 22 3HB ALA 22 9.851 2.108 3.659 163 H LEU 23 H LEU 23 12.207 4.753 1.186 164 HA LEU 23 HA LEU 23 10.549 6.886 2.265 165 1HB LEU 23 2HB LEU 23 12.446 6.867 -0.086 166 2HB LEU 23 1HB LEU 23 11.640 8.286 0.554 167 HG LEU 23 HG LEU 23 13.691 6.614 2.004 168 1HD1 LEU 23 1HD1 LEU 23 13.859 9.410 0.889 169 2HD1 LEU 23 2HD1 LEU 23 14.624 7.978 0.200 170 3HD1 LEU 23 3HD1 LEU 23 15.121 8.566 1.787 171 1HD2 LEU 23 1HD2 LEU 23 12.254 9.124 2.854 172 2HD2 LEU 23 2HD2 LEU 23 13.585 8.358 3.723 173 3HD2 LEU 23 3HD2 LEU 23 12.046 7.515 3.546 174 H ALA 24 H ALA 24 10.205 4.391 0.076 175 HA ALA 24 HA ALA 24 7.705 5.502 -0.854 176 1HB ALA 24 1HB ALA 24 9.780 4.650 -2.871 177 2HB ALA 24 2HB ALA 24 9.359 6.322 -2.505 178 3HB ALA 24 3HB ALA 24 8.156 5.247 -3.212 179 H GLU 25 H GLU 25 6.785 3.782 0.315 180 HA GLU 25 HA GLU 25 7.255 1.111 -0.847 181 1HB GLU 25 2HB GLU 25 7.806 1.146 1.516 182 2HB GLU 25 1HB GLU 25 6.241 1.856 1.903 183 1HG GLU 25 2HG GLU 25 5.168 -0.195 0.976 184 2HG GLU 25 1HG GLU 25 6.774 -0.897 0.820 185 H ILE 26 H ILE 26 5.689 0.462 -2.170 186 HA ILE 26 HA ILE 26 2.938 1.330 -1.558 187 HB ILE 26 HB ILE 26 3.782 2.240 -3.692 188 1HG1 ILE 26 2HG1 ILE 26 1.648 0.146 -4.146 189 2HG1 ILE 26 1HG1 ILE 26 1.365 1.679 -3.326 190 1HG2 ILE 26 1HG2 ILE 26 3.986 -0.644 -4.553 191 2HG2 ILE 26 2HG2 ILE 26 5.333 0.465 -4.297 192 3HG2 ILE 26 3HG2 ILE 26 4.183 0.761 -5.602 193 1HD1 ILE 26 1HD1 ILE 26 2.281 1.346 -6.172 194 2HD1 ILE 26 2HD1 ILE 26 1.991 2.880 -5.352 195 3HD1 ILE 26 3HD1 ILE 26 0.653 1.768 -5.646 196 H THR 27 H THR 27 1.465 -0.198 -1.171 197 HA THR 27 HA THR 27 2.172 -2.995 -1.783 198 HB THR 27 HB THR 27 1.040 -3.687 0.285 199 HG1 THR 27 HG1 THR 27 -0.097 -1.421 0.243 200 1HG2 THR 27 1HG2 THR 27 3.454 -3.304 0.352 201 2HG2 THR 27 2HG2 THR 27 2.709 -2.892 1.895 202 3HG2 THR 27 3HG2 THR 27 3.182 -1.614 0.775 203 H TYR 28 H TYR 28 0.558 -4.263 -2.597 204 HA TYR 28 HA TYR 28 -2.100 -3.026 -2.814 205 1HB TYR 28 2HB TYR 28 -2.391 -4.165 -4.998 206 2HB TYR 28 1HB TYR 28 -1.111 -2.961 -5.017 207 HD1 TYR 28 HD1 TYR 28 1.283 -3.736 -4.973 208 HD2 TYR 28 HD2 TYR 28 -1.965 -6.423 -5.549 209 HE1 TYR 28 HE1 TYR 28 2.831 -5.397 -5.913 210 HE2 TYR 28 HE2 TYR 28 -0.425 -8.094 -6.484 211 HH TYR 28 HH TYR 28 2.962 -7.807 -6.255 212 H ARG 29 H ARG 29 -3.794 -4.221 -2.232 213 HA ARG 29 HA ARG 29 -3.262 -7.010 -1.444 214 1HB ARG 29 2HB ARG 29 -4.784 -6.654 0.468 215 2HB ARG 29 1HB ARG 29 -3.385 -5.594 0.535 216 1HG ARG 29 2HG ARG 29 -4.867 -3.828 -0.542 217 2HG ARG 29 1HG ARG 29 -6.218 -4.896 -0.164 218 1HD ARG 29 2HD ARG 29 -4.271 -3.677 1.787 219 2HD ARG 29 1HD ARG 29 -5.964 -3.240 1.577 220 HE ARG 29 HE ARG 29 -5.934 -5.938 2.177 221 1HH1 ARG 29 2HH1 ARG 29 -4.897 -2.962 3.719 222 2HH1 ARG 29 1HH1 ARG 29 -5.136 -3.567 5.331 223 1HH2 ARG 29 1HH2 ARG 29 -6.195 -6.752 4.293 224 2HH2 ARG 29 2HH2 ARG 29 -5.904 -5.719 5.657 225 H PHE 30 H PHE 30 -4.908 -8.491 -1.795 226 HA PHE 30 HA PHE 30 -6.728 -7.797 -3.912 227 1HB PHE 30 2HB PHE 30 -6.350 -10.382 -2.380 228 2HB PHE 30 1HB PHE 30 -7.391 -10.191 -3.788 229 HD1 PHE 30 HD1 PHE 30 -3.934 -10.386 -2.603 230 HD2 PHE 30 HD2 PHE 30 -6.467 -9.977 -6.001 231 HE1 PHE 30 HE1 PHE 30 -2.033 -10.894 -4.076 232 HE2 PHE 30 HE2 PHE 30 -4.568 -10.486 -7.480 233 HZ PHE 30 HZ PHE 30 -2.350 -10.944 -6.520 234 H VAL 31 H VAL 31 -8.893 -7.447 -3.780 235 HA VAL 31 HA VAL 31 -10.074 -7.628 -1.094 236 HB VAL 31 HB VAL 31 -11.798 -5.985 -1.958 237 1HG1 VAL 31 1HG1 VAL 31 -8.929 -5.065 -1.811 238 2HG1 VAL 31 2HG1 VAL 31 -10.000 -5.339 -0.437 239 3HG1 VAL 31 3HG1 VAL 31 -10.352 -4.048 -1.585 240 1HG2 VAL 31 1HG2 VAL 31 -11.175 -4.587 -3.856 241 2HG2 VAL 31 2HG2 VAL 31 -11.365 -6.269 -4.354 242 3HG2 VAL 31 3HG2 VAL 31 -9.752 -5.590 -4.140 243 H ASP 32 H ASP 32 -10.877 -8.077 -4.537 244 HA ASP 32 HA ASP 32 -12.854 -10.065 -3.650 245 1HB ASP 32 2HB ASP 32 -12.980 -8.251 -6.067 246 2HB ASP 32 1HB ASP 32 -14.073 -9.603 -5.791 247 H ASN 33 H ASN 33 -11.915 -9.508 -6.985 248 HA ASN 33 HA ASN 33 -10.357 -12.010 -6.898 249 1HB ASN 33 2HB ASN 33 -12.520 -12.534 -7.874 250 2HB ASN 33 1HB ASN 33 -12.375 -11.191 -9.003 251 1HD2 ASN 33 1HD2 ASN 33 -12.552 -12.459 -10.819 252 2HD2 ASN 33 2HD2 ASN 33 -11.306 -13.547 -11.327 253 H ASN 34 H ASN 34 -11.153 -9.725 -9.497 254 HA ASN 34 HA ASN 34 -8.314 -9.678 -10.196 255 1HB ASN 34 2HB ASN 34 -9.044 -8.821 -12.363 256 2HB ASN 34 1HB ASN 34 -9.936 -10.282 -11.955 257 1HD2 ASN 34 1HD2 ASN 34 -10.098 -6.872 -12.463 258 2HD2 ASN 34 2HD2 ASN 34 -11.825 -6.733 -12.446 259 H GLU 35 H GLU 35 -10.058 -8.008 -8.171 260 HA GLU 35 HA GLU 35 -9.055 -5.380 -9.003 261 1HB GLU 35 2HB GLU 35 -11.257 -6.121 -7.074 262 2HB GLU 35 1HB GLU 35 -10.696 -4.476 -7.353 263 1HG GLU 35 2HG GLU 35 -11.445 -4.533 -9.617 264 2HG GLU 35 1HG GLU 35 -11.803 -6.256 -9.511 265 H ILE 36 H ILE 36 -7.382 -4.583 -7.966 266 HA ILE 36 HA ILE 36 -6.715 -5.689 -5.321 267 HB ILE 36 HB ILE 36 -4.368 -4.946 -5.789 268 1HG1 ILE 36 2HG1 ILE 36 -5.379 -4.638 -8.628 269 2HG1 ILE 36 1HG1 ILE 36 -4.921 -3.304 -7.574 270 1HG2 ILE 36 1HG2 ILE 36 -5.025 -7.265 -6.011 271 2HG2 ILE 36 2HG2 ILE 36 -3.846 -6.844 -7.254 272 3HG2 ILE 36 3HG2 ILE 36 -5.556 -6.979 -7.668 273 1HD1 ILE 36 1HD1 ILE 36 -2.634 -4.152 -7.502 274 2HD1 ILE 36 2HD1 ILE 36 -3.157 -3.826 -9.155 275 3HD1 ILE 36 3HD1 ILE 36 -3.096 -5.485 -8.559 276 H ASN 37 H ASN 37 -6.661 -4.380 -3.654 277 HA ASN 37 HA ASN 37 -7.150 -1.533 -4.089 278 1HB ASN 37 2HB ASN 37 -8.717 -2.667 -2.608 279 2HB ASN 37 1HB ASN 37 -7.390 -3.259 -1.615 280 1HD2 ASN 37 1HD2 ASN 37 -9.287 -0.482 -2.499 281 2HD2 ASN 37 2HD2 ASN 37 -8.795 0.530 -1.180 282 H ILE 38 H ILE 38 -5.609 -0.076 -3.758 283 HA ILE 38 HA ILE 38 -3.197 -0.915 -2.310 284 HB ILE 38 HB ILE 38 -3.571 1.507 -4.091 285 1HG1 ILE 38 2HG1 ILE 38 -2.137 -1.115 -4.596 286 2HG1 ILE 38 1HG1 ILE 38 -3.628 -0.591 -5.369 287 1HG2 ILE 38 1HG2 ILE 38 -1.088 0.356 -2.814 288 2HG2 ILE 38 2HG2 ILE 38 -1.903 1.845 -2.336 289 3HG2 ILE 38 3HG2 ILE 38 -1.136 1.729 -3.921 290 1HD1 ILE 38 1HD1 ILE 38 -1.738 -0.302 -6.851 291 2HD1 ILE 38 2HD1 ILE 38 -0.931 0.712 -5.655 292 3HD1 ILE 38 3HD1 ILE 38 -2.423 1.264 -6.415 293 H ASP 39 H ASP 39 -3.628 -0.596 -0.213 294 HA ASP 39 HA ASP 39 -5.031 1.829 0.625 295 1HB ASP 39 2HB ASP 39 -5.332 0.704 2.753 296 2HB ASP 39 1HB ASP 39 -5.805 -0.376 1.448 297 H HIS 40 H HIS 40 -1.907 0.458 0.541 298 HA HIS 40 HA HIS 40 -0.930 2.520 2.397 299 1HB HIS 40 2HB HIS 40 -0.804 0.348 3.482 300 2HB HIS 40 1HB HIS 40 0.006 -0.346 2.087 301 HD1 HIS 40 HD1 HIS 40 0.609 1.386 5.255 302 HD2 HIS 40 HD2 HIS 40 2.761 0.505 1.809 303 HE1 HIS 40 HE1 HIS 40 3.026 1.691 5.872 304 HE2 HIS 40 HE2 HIS 40 4.314 0.887 3.854 305 H THR 41 H THR 41 0.111 3.982 1.266 306 HA THR 41 HA THR 41 2.261 3.074 -0.497 307 HB THR 41 HB THR 41 0.465 5.397 -1.221 308 HG1 THR 41 HG1 THR 41 0.171 2.720 -1.616 309 1HG2 THR 41 1HG2 THR 41 2.786 5.538 -2.047 310 2HG2 THR 41 2HG2 THR 41 1.632 5.318 -3.362 311 3HG2 THR 41 3HG2 THR 41 2.601 3.954 -2.803 312 H GLY 42 H GLY 42 3.767 3.545 1.038 313 1HA GLY 42 2HA GLY 42 3.677 6.100 2.426 314 2HA GLY 42 1HA GLY 42 4.785 4.775 2.745 315 H VAL 43 H VAL 43 4.015 7.231 0.314 316 HA VAL 43 HA VAL 43 6.835 7.350 -0.453 317 HB VAL 43 HB VAL 43 4.459 8.859 -1.575 318 1HG1 VAL 43 1HG1 VAL 43 5.982 9.491 -3.398 319 2HG1 VAL 43 2HG1 VAL 43 7.308 8.680 -2.565 320 3HG1 VAL 43 3HG1 VAL 43 6.550 10.098 -1.842 321 1HG2 VAL 43 1HG2 VAL 43 4.653 7.381 -3.500 322 2HG2 VAL 43 2HG2 VAL 43 4.374 6.448 -2.031 323 3HG2 VAL 43 3HG2 VAL 43 5.989 6.526 -2.731 324 H SER 44 H SER 44 8.153 8.790 0.432 325 HA SER 44 HA SER 44 7.226 10.541 2.467 326 1HB SER 44 2HB SER 44 9.949 10.343 1.159 327 2HB SER 44 1HB SER 44 9.589 11.178 2.673 328 HG SER 44 HG SER 44 8.611 8.847 3.081 329 H ASP 45 H ASP 45 8.184 12.879 2.456 330 HA ASP 45 HA ASP 45 6.669 14.251 0.453 331 1HB ASP 45 2HB ASP 45 7.365 16.292 1.710 332 2HB ASP 45 1HB ASP 45 6.601 15.065 2.713 333 H GLU 46 H GLU 46 8.984 12.863 -0.600 334 HA GLU 46 HA GLU 46 10.795 15.007 -1.354 335 1HB GLU 46 2HB GLU 46 10.807 12.045 -1.931 336 2HB GLU 46 1HB GLU 46 11.980 13.167 -2.611 337 1HG GLU 46 2HG GLU 46 11.524 12.698 0.330 338 2HG GLU 46 1HG GLU 46 12.841 12.019 -0.626 339 H LEU 47 H LEU 47 8.791 15.994 -2.256 340 HA LEU 47 HA LEU 47 7.879 16.978 -4.061 341 1HB LEU 47 2HB LEU 47 10.182 16.444 -5.071 342 2HB LEU 47 1HB LEU 47 9.362 15.136 -5.901 343 HG LEU 47 HG LEU 47 7.919 16.688 -7.056 344 1HD1 LEU 47 1HD1 LEU 47 9.303 18.819 -5.434 345 2HD1 LEU 47 2HD1 LEU 47 7.616 18.325 -5.296 346 3HD1 LEU 47 3HD1 LEU 47 8.187 19.115 -6.766 347 1HD2 LEU 47 1HD2 LEU 47 10.792 17.605 -7.132 348 2HD2 LEU 47 2HD2 LEU 47 9.578 17.918 -8.371 349 3HD2 LEU 47 3HD2 LEU 47 10.105 16.266 -8.052 350 H GLY 48 H GLY 48 7.815 13.547 -3.739 351 1HA GLY 48 2HA GLY 48 5.871 12.274 -3.630 352 2HA GLY 48 1HA GLY 48 4.979 13.621 -4.315 353 H GLY 49 H GLY 49 4.206 13.330 -6.280 354 1HA GLY 49 2HA GLY 49 4.973 10.901 -7.694 355 2HA GLY 49 1HA GLY 49 3.581 11.918 -8.035 356 H GLN 50 H GLN 50 7.057 12.602 -7.857 357 HA GLN 50 HA GLN 50 6.886 13.879 -10.480 358 1HB GLN 50 2HB GLN 50 7.967 15.186 -8.762 359 2HB GLN 50 1HB GLN 50 9.046 13.860 -8.363 360 1HG GLN 50 2HG GLN 50 9.119 14.897 -11.138 361 2HG GLN 50 1HG GLN 50 9.791 15.910 -9.862 362 1HE2 GLN 50 1HE2 GLN 50 11.123 14.559 -12.079 363 2HE2 GLN 50 2HE2 GLN 50 12.324 13.543 -11.353 364 H GLY 51 H GLY 51 9.068 11.615 -8.803 365 1HA GLY 51 2HA GLY 51 9.257 10.077 -11.304 366 2HA GLY 51 1HA GLY 51 10.731 10.591 -10.493 367 H VAL 52 H VAL 52 10.110 10.203 -7.859 368 HA VAL 52 HA VAL 52 10.565 7.428 -7.585 369 HB VAL 52 HB VAL 52 9.684 9.356 -5.430 370 1HG1 VAL 52 1HG1 VAL 52 10.833 7.824 -3.907 371 2HG1 VAL 52 2HG1 VAL 52 11.192 6.749 -5.257 372 3HG1 VAL 52 3HG1 VAL 52 9.519 7.015 -4.762 373 1HG2 VAL 52 1HG2 VAL 52 11.641 10.231 -6.569 374 2HG2 VAL 52 2HG2 VAL 52 12.461 8.679 -6.394 375 3HG2 VAL 52 3HG2 VAL 52 12.085 9.642 -4.967 376 H GLY 53 H GLY 53 7.703 9.434 -6.934 377 1HA GLY 53 2HA GLY 53 6.022 7.392 -6.016 378 2HA GLY 53 1HA GLY 53 5.482 8.886 -6.766 379 H LYS 54 H LYS 54 6.665 8.526 -9.305 380 HA LYS 54 HA LYS 54 4.662 6.871 -10.490 381 1HB LYS 54 2HB LYS 54 7.035 8.245 -11.763 382 2HB LYS 54 1HB LYS 54 5.691 7.516 -12.631 383 1HG LYS 54 2HG LYS 54 4.183 9.117 -11.406 384 2HG LYS 54 1HG LYS 54 5.646 9.941 -10.860 385 1HD LYS 54 2HD LYS 54 6.303 10.266 -13.213 386 2HD LYS 54 1HD LYS 54 4.799 9.494 -13.722 387 1HE LYS 54 2HE LYS 54 3.570 11.261 -12.434 388 2HE LYS 54 1HE LYS 54 5.115 12.074 -12.197 389 1HZ LYS 54 1HZ LYS 54 3.690 11.586 -14.749 390 2HZ LYS 54 2HZ LYS 54 5.312 12.076 -14.687 391 3HZ LYS 54 3HZ LYS 54 4.101 13.079 -14.050 392 H LYS 55 H LYS 55 8.019 6.490 -9.674 393 HA LYS 55 HA LYS 55 8.727 4.304 -11.256 394 1HB LYS 55 2HB LYS 55 10.205 5.698 -9.702 395 2HB LYS 55 1HB LYS 55 9.600 4.698 -8.391 396 1HG LYS 55 2HG LYS 55 11.704 3.827 -9.057 397 2HG LYS 55 1HG LYS 55 10.463 2.704 -9.619 398 1HD LYS 55 2HD LYS 55 10.582 3.643 -11.849 399 2HD LYS 55 1HD LYS 55 11.768 4.833 -11.309 400 1HE LYS 55 2HE LYS 55 13.312 2.993 -10.745 401 2HE LYS 55 1HE LYS 55 12.129 1.838 -11.357 402 1HZ LYS 55 1HZ LYS 55 12.296 2.926 -13.537 403 2HZ LYS 55 2HZ LYS 55 13.779 2.280 -13.030 404 3HZ LYS 55 3HZ LYS 55 13.506 3.950 -12.929 405 H LEU 56 H LEU 56 7.244 4.428 -8.038 406 HA LEU 56 HA LEU 56 6.967 1.662 -7.646 407 1HB LEU 56 2HB LEU 56 5.291 3.949 -6.616 408 2HB LEU 56 1HB LEU 56 5.147 2.296 -6.056 409 HG LEU 56 HG LEU 56 7.538 4.103 -5.725 410 1HD1 LEU 56 1HD1 LEU 56 6.989 3.822 -3.321 411 2HD1 LEU 56 2HD1 LEU 56 5.510 2.990 -3.798 412 3HD1 LEU 56 3HD1 LEU 56 5.752 4.682 -4.237 413 1HD2 LEU 56 1HD2 LEU 56 8.485 2.265 -4.394 414 2HD2 LEU 56 2HD2 LEU 56 8.283 1.825 -6.089 415 3HD2 LEU 56 3HD2 LEU 56 7.141 1.234 -4.883 416 H LEU 57 H LEU 57 4.629 4.051 -8.858 417 HA LEU 57 HA LEU 57 2.499 2.292 -9.194 418 1HB LEU 57 2HB LEU 57 3.180 4.975 -10.270 419 2HB LEU 57 1HB LEU 57 1.881 4.093 -11.049 420 HG LEU 57 HG LEU 57 0.692 3.946 -8.896 421 1HD1 LEU 57 1HD1 LEU 57 1.439 5.262 -6.984 422 2HD1 LEU 57 2HD1 LEU 57 2.919 5.685 -7.843 423 3HD1 LEU 57 3HD1 LEU 57 2.611 4.008 -7.389 424 1HD2 LEU 57 1HD2 LEU 57 0.101 6.328 -8.721 425 2HD2 LEU 57 2HD2 LEU 57 0.180 5.773 -10.393 426 3HD2 LEU 57 3HD2 LEU 57 1.499 6.729 -9.718 427 H LYS 58 H LYS 58 5.040 3.204 -11.503 428 HA LYS 58 HA LYS 58 3.933 1.907 -13.737 429 1HB LYS 58 2HB LYS 58 5.904 3.529 -13.697 430 2HB LYS 58 1HB LYS 58 6.893 2.156 -13.213 431 1HG LYS 58 2HG LYS 58 6.161 0.989 -15.292 432 2HG LYS 58 1HG LYS 58 5.359 2.482 -15.782 433 1HD LYS 58 2HD LYS 58 7.420 2.609 -16.857 434 2HD LYS 58 1HD LYS 58 7.663 3.581 -15.405 435 1HE LYS 58 2HE LYS 58 9.578 2.237 -15.548 436 2HE LYS 58 1HE LYS 58 8.570 1.456 -14.331 437 1HZ LYS 58 1HZ LYS 58 7.777 -0.062 -16.111 438 2HZ LYS 58 2HZ LYS 58 9.433 -0.204 -15.784 439 3HZ LYS 58 3HZ LYS 58 8.912 0.633 -17.164 440 H ALA 59 H ALA 59 6.058 0.745 -11.163 441 HA ALA 59 HA ALA 59 6.528 -1.825 -12.261 442 1HB ALA 59 1HB ALA 59 7.928 -0.799 -10.506 443 2HB ALA 59 2HB ALA 59 7.372 -2.415 -10.073 444 3HB ALA 59 3HB ALA 59 6.602 -0.997 -9.361 445 H VAL 60 H VAL 60 4.034 -0.505 -10.178 446 HA VAL 60 HA VAL 60 2.829 -3.017 -9.566 447 HB VAL 60 HB VAL 60 1.642 -0.238 -9.400 448 1HG1 VAL 60 1HG1 VAL 60 0.706 -2.827 -8.159 449 2HG1 VAL 60 2HG1 VAL 60 -0.086 -1.964 -9.477 450 3HG1 VAL 60 3HG1 VAL 60 0.006 -1.233 -7.875 451 1HG2 VAL 60 1HG2 VAL 60 2.172 -0.390 -7.018 452 2HG2 VAL 60 2HG2 VAL 60 3.625 -0.506 -8.010 453 3HG2 VAL 60 3HG2 VAL 60 2.933 -1.958 -7.285 454 H VAL 61 H VAL 61 2.123 -0.445 -11.918 455 HA VAL 61 HA VAL 61 -0.176 -1.577 -13.048 456 HB VAL 61 HB VAL 61 1.919 0.174 -14.353 457 1HG1 VAL 61 1HG1 VAL 61 0.637 -1.022 -16.052 458 2HG1 VAL 61 2HG1 VAL 61 0.228 0.695 -16.037 459 3HG1 VAL 61 3HG1 VAL 61 -0.866 -0.478 -15.304 460 1HG2 VAL 61 1HG2 VAL 61 -0.739 0.819 -13.087 461 2HG2 VAL 61 2HG2 VAL 61 0.270 1.968 -13.965 462 3HG2 VAL 61 3HG2 VAL 61 0.856 1.246 -12.466 463 H GLU 62 H GLU 62 3.233 -2.143 -13.688 464 HA GLU 62 HA GLU 62 3.091 -3.720 -15.968 465 1HB GLU 62 2HB GLU 62 5.169 -2.873 -14.885 466 2HB GLU 62 1HB GLU 62 4.957 -4.063 -13.610 467 1HG GLU 62 2HG GLU 62 6.592 -4.849 -15.163 468 2HG GLU 62 1HG GLU 62 5.143 -5.848 -15.302 469 H HIS 63 H HIS 63 3.021 -4.728 -12.565 470 HA HIS 63 HA HIS 63 2.521 -7.478 -13.158 471 1HB HIS 63 2HB HIS 63 3.609 -6.508 -11.054 472 2HB HIS 63 1HB HIS 63 1.984 -6.093 -10.526 473 HD1 HIS 63 HD1 HIS 63 4.391 -8.863 -10.676 474 HD2 HIS 63 HD2 HIS 63 0.303 -8.403 -10.029 475 HE1 HIS 63 HE1 HIS 63 3.615 -11.022 -9.651 476 HE2 HIS 63 HE2 HIS 63 1.114 -10.796 -9.465 477 H ALA 64 H ALA 64 0.534 -4.674 -12.509 478 HA ALA 64 HA ALA 64 -1.898 -6.004 -11.993 479 1HB ALA 64 1HB ALA 64 -1.459 -3.255 -13.165 480 2HB ALA 64 2HB ALA 64 -1.537 -3.647 -11.447 481 3HB ALA 64 3HB ALA 64 -2.962 -3.857 -12.463 482 H ARG 65 H ARG 65 -0.820 -4.378 -14.995 483 HA ARG 65 HA ARG 65 -2.939 -5.253 -16.597 484 1HB ARG 65 2HB ARG 65 -1.526 -3.451 -17.355 485 2HB ARG 65 1HB ARG 65 -0.111 -4.495 -17.346 486 1HG ARG 65 2HG ARG 65 -1.131 -5.845 -19.130 487 2HG ARG 65 1HG ARG 65 -2.490 -4.724 -19.176 488 1HD ARG 65 2HD ARG 65 0.341 -3.806 -19.550 489 2HD ARG 65 1HD ARG 65 -0.619 -4.418 -20.893 490 HE ARG 65 HE ARG 65 -2.156 -2.461 -19.681 491 1HH1 ARG 65 2HH1 ARG 65 0.996 -2.625 -21.196 492 2HH1 ARG 65 1HH1 ARG 65 0.921 -1.012 -21.837 493 1HH2 ARG 65 1HH2 ARG 65 -2.297 -0.362 -20.564 494 2HH2 ARG 65 2HH2 ARG 65 -0.966 0.270 -21.499 495 H GLU 66 H GLU 66 0.139 -6.758 -15.826 496 HA GLU 66 HA GLU 66 0.170 -8.856 -17.638 497 1HB GLU 66 2HB GLU 66 2.048 -8.325 -16.174 498 2HB GLU 66 1HB GLU 66 1.114 -8.806 -14.764 499 1HG GLU 66 2HG GLU 66 1.053 -11.099 -15.579 500 2HG GLU 66 1HG GLU 66 1.965 -10.618 -17.009 501 H ASN 67 H ASN 67 -1.399 -8.671 -14.458 502 HA ASN 67 HA ASN 67 -2.577 -11.321 -14.896 503 1HB ASN 67 2HB ASN 67 -2.529 -9.573 -12.428 504 2HB ASN 67 1HB ASN 67 -3.267 -11.167 -12.512 505 1HD2 ASN 67 1HD2 ASN 67 -1.095 -12.140 -14.285 506 2HD2 ASN 67 2HD2 ASN 67 0.263 -12.391 -13.238 507 H ASN 68 H ASN 68 -3.346 -8.382 -15.839 508 HA ASN 68 HA ASN 68 -5.238 -7.323 -16.512 509 1HB ASN 68 2HB ASN 68 -5.923 -9.596 -17.279 510 2HB ASN 68 1HB ASN 68 -6.694 -9.859 -15.720 511 1HD2 ASN 68 1HD2 ASN 68 -8.726 -10.103 -16.575 512 2HD2 ASN 68 2HD2 ASN 68 -9.630 -8.787 -17.245 513 H LEU 69 H LEU 69 -4.294 -7.506 -13.658 514 HA LEU 69 HA LEU 69 -6.555 -7.251 -11.959 515 1HB LEU 69 2HB LEU 69 -3.689 -6.377 -11.586 516 2HB LEU 69 1HB LEU 69 -4.910 -6.324 -10.330 517 HG LEU 69 HG LEU 69 -3.980 -8.846 -11.703 518 1HD1 LEU 69 1HD1 LEU 69 -2.857 -9.332 -9.569 519 2HD1 LEU 69 2HD1 LEU 69 -3.282 -7.718 -8.995 520 3HD1 LEU 69 3HD1 LEU 69 -2.190 -7.907 -10.367 521 1HD2 LEU 69 1HD2 LEU 69 -5.184 -9.971 -9.894 522 2HD2 LEU 69 2HD2 LEU 69 -6.263 -8.990 -10.886 523 3HD2 LEU 69 3HD2 LEU 69 -5.748 -8.408 -9.302 524 H LYS 70 H LYS 70 -7.573 -5.491 -11.192 525 HA LYS 70 HA LYS 70 -6.958 -2.928 -12.494 526 1HB LYS 70 2HB LYS 70 -9.583 -3.997 -11.441 527 2HB LYS 70 1HB LYS 70 -9.347 -2.363 -12.050 528 1HG LYS 70 2HG LYS 70 -8.931 -4.885 -13.648 529 2HG LYS 70 1HG LYS 70 -10.363 -3.854 -13.716 530 1HD LYS 70 2HD LYS 70 -9.061 -2.009 -14.553 531 2HD LYS 70 1HD LYS 70 -7.561 -2.912 -14.331 532 1HE LYS 70 2HE LYS 70 -9.770 -3.874 -16.126 533 2HE LYS 70 1HE LYS 70 -8.510 -2.780 -16.689 534 1HZ LYS 70 1HZ LYS 70 -6.859 -4.390 -16.319 535 2HZ LYS 70 2HZ LYS 70 -8.124 -5.227 -17.079 536 3HZ LYS 70 3HZ LYS 70 -7.890 -5.382 -15.411 537 H ILE 71 H ILE 71 -6.766 -1.109 -11.246 538 HA ILE 71 HA ILE 71 -6.169 -1.716 -8.446 539 HB ILE 71 HB ILE 71 -5.288 0.586 -10.188 540 1HG1 ILE 71 2HG1 ILE 71 -3.782 -1.770 -9.029 541 2HG1 ILE 71 1HG1 ILE 71 -4.229 -1.568 -10.720 542 1HG2 ILE 71 1HG2 ILE 71 -5.527 1.347 -7.901 543 2HG2 ILE 71 2HG2 ILE 71 -3.817 1.198 -8.308 544 3HG2 ILE 71 3HG2 ILE 71 -4.599 -0.035 -7.320 545 1HD1 ILE 71 1HD1 ILE 71 -2.782 0.397 -10.858 546 2HD1 ILE 71 2HD1 ILE 71 -1.892 -1.044 -10.363 547 3HD1 ILE 71 3HD1 ILE 71 -2.332 0.175 -9.166 548 H ILE 72 H ILE 72 -7.460 -1.082 -6.905 549 HA ILE 72 HA ILE 72 -8.844 1.498 -7.203 550 HB ILE 72 HB ILE 72 -10.421 0.609 -5.395 551 1HG1 ILE 72 2HG1 ILE 72 -9.377 -2.053 -6.403 552 2HG1 ILE 72 1HG1 ILE 72 -9.063 -1.387 -4.805 553 1HG2 ILE 72 1HG2 ILE 72 -10.492 -0.563 -8.167 554 2HG2 ILE 72 2HG2 ILE 72 -11.145 0.994 -7.659 555 3HG2 ILE 72 3HG2 ILE 72 -11.861 -0.502 -7.057 556 1HD1 ILE 72 1HD1 ILE 72 -11.429 -1.495 -4.278 557 2HD1 ILE 72 2HD1 ILE 72 -10.817 -3.077 -4.763 558 3HD1 ILE 72 3HD1 ILE 72 -11.772 -2.115 -5.892 559 H ALA 73 H ALA 73 -7.469 2.849 -6.212 560 HA ALA 73 HA ALA 73 -5.942 1.952 -3.916 561 1HB ALA 73 1HB ALA 73 -4.732 4.069 -4.162 562 2HB ALA 73 2HB ALA 73 -5.853 4.553 -5.435 563 3HB ALA 73 3HB ALA 73 -4.789 3.167 -5.676 564 H SER 74 H SER 74 -6.273 2.519 -1.872 565 HA SER 74 HA SER 74 -8.353 4.501 -1.276 566 1HB SER 74 2HB SER 74 -7.082 2.388 0.485 567 2HB SER 74 1HB SER 74 -8.317 3.531 1.013 568 HG SER 74 HG SER 74 -9.803 2.410 -0.007 569 H CYS 75 H CYS 75 -5.016 4.050 -1.408 570 HA CYS 75 HA CYS 75 -4.204 5.919 0.595 571 1HB CYS 75 2HB CYS 75 -2.041 5.885 -0.741 572 2HB CYS 75 1HB CYS 75 -2.584 4.332 -0.114 573 HG CYS 75 HG CYS 75 -1.483 3.964 -2.658 574 H SER 76 H SER 76 -4.859 7.996 0.468 575 HA SER 76 HA SER 76 -5.949 9.178 -1.814 576 1HB SER 76 2HB SER 76 -5.597 11.338 -0.412 577 2HB SER 76 1HB SER 76 -6.651 10.074 0.230 578 HG SER 76 HG SER 76 -4.392 11.080 1.279 579 H PHE 77 H PHE 77 -2.666 9.252 -0.565 580 HA PHE 77 HA PHE 77 -1.739 11.416 -2.126 581 1HB PHE 77 2HB PHE 77 -0.615 10.470 -0.089 582 2HB PHE 77 1HB PHE 77 -0.109 9.102 -1.072 583 HD1 PHE 77 HD1 PHE 77 0.129 12.788 -0.814 584 HD2 PHE 77 HD2 PHE 77 1.865 9.203 -2.309 585 HE1 PHE 77 HE1 PHE 77 2.128 14.047 -1.500 586 HE2 PHE 77 HE2 PHE 77 3.865 10.457 -3.000 587 HZ PHE 77 HZ PHE 77 4.002 12.880 -2.595 588 H ALA 78 H ALA 78 -1.613 7.898 -2.652 589 HA ALA 78 HA ALA 78 -0.223 8.211 -5.154 590 1HB ALA 78 1HB ALA 78 -0.362 5.789 -5.324 591 2HB ALA 78 2HB ALA 78 -1.452 5.744 -3.938 592 3HB ALA 78 3HB ALA 78 0.217 6.278 -3.731 593 H LYS 79 H LYS 79 -3.529 7.529 -4.119 594 HA LYS 79 HA LYS 79 -4.563 6.844 -6.643 595 1HB LYS 79 2HB LYS 79 -5.750 6.523 -4.463 596 2HB LYS 79 1HB LYS 79 -6.045 8.256 -4.420 597 1HG LYS 79 2HG LYS 79 -7.302 8.069 -6.534 598 2HG LYS 79 1HG LYS 79 -7.057 6.322 -6.497 599 1HD LYS 79 2HD LYS 79 -8.204 6.290 -4.274 600 2HD LYS 79 1HD LYS 79 -8.577 7.999 -4.505 601 1HE LYS 79 2HE LYS 79 -9.408 5.793 -6.386 602 2HE LYS 79 1HE LYS 79 -10.437 6.470 -5.125 603 1HZ LYS 79 1HZ LYS 79 -10.805 7.417 -7.366 604 2HZ LYS 79 2HZ LYS 79 -9.247 8.072 -7.330 605 3HZ LYS 79 3HZ LYS 79 -10.410 8.577 -6.198 606 H HIS 80 H HIS 80 -3.860 9.924 -5.161 607 HA HIS 80 HA HIS 80 -5.415 11.508 -6.923 608 1HB HIS 80 2HB HIS 80 -4.389 12.130 -4.629 609 2HB HIS 80 1HB HIS 80 -2.936 12.507 -5.548 610 HD1 HIS 80 HD1 HIS 80 -3.060 15.032 -5.123 611 HD2 HIS 80 HD2 HIS 80 -6.475 13.456 -6.908 612 HE1 HIS 80 HE1 HIS 80 -4.430 17.017 -5.857 613 HE2 HIS 80 HE2 HIS 80 -6.567 16.034 -6.768 614 H MET 81 H MET 81 -2.398 9.904 -7.264 615 HA MET 81 HA MET 81 -1.419 11.479 -9.458 616 1HB MET 81 2HB MET 81 -0.752 8.599 -8.820 617 2HB MET 81 1HB MET 81 0.179 9.702 -9.820 618 1HG MET 81 2HG MET 81 0.634 11.078 -7.837 619 2HG MET 81 1HG MET 81 -0.245 9.910 -6.849 620 1HE MET 81 1HE MET 81 1.593 9.142 -5.202 621 2HE MET 81 2HE MET 81 2.488 10.537 -5.808 622 3HE MET 81 3HE MET 81 3.288 8.971 -5.660 623 H LEU 82 H LEU 82 -3.328 8.576 -9.021 624 HA LEU 82 HA LEU 82 -3.554 7.827 -11.741 625 1HB LEU 82 2HB LEU 82 -5.591 7.304 -9.578 626 2HB LEU 82 1HB LEU 82 -5.295 6.353 -11.020 627 HG LEU 82 HG LEU 82 -3.376 6.613 -8.699 628 1HD1 LEU 82 1HD1 LEU 82 -5.208 4.343 -9.468 629 2HD1 LEU 82 2HD1 LEU 82 -5.398 5.401 -8.070 630 3HD1 LEU 82 3HD1 LEU 82 -4.012 4.315 -8.170 631 1HD2 LEU 82 1HD2 LEU 82 -2.186 4.775 -9.769 632 2HD2 LEU 82 2HD2 LEU 82 -2.260 6.185 -10.826 633 3HD2 LEU 82 3HD2 LEU 82 -3.327 4.810 -11.115 634 H GLU 83 H GLU 83 -5.391 9.907 -9.611 635 HA GLU 83 HA GLU 83 -7.646 10.375 -11.188 636 1HB GLU 83 2HB GLU 83 -6.292 12.324 -9.315 637 2HB GLU 83 1HB GLU 83 -7.962 12.397 -9.857 638 1HG GLU 83 2HG GLU 83 -6.779 10.191 -8.189 639 2HG GLU 83 1HG GLU 83 -7.702 11.552 -7.558 640 H LYS 84 H LYS 84 -4.440 11.814 -11.256 641 HA LYS 84 HA LYS 84 -5.346 13.835 -13.143 642 1HB LYS 84 2HB LYS 84 -2.741 13.490 -11.677 643 2HB LYS 84 1HB LYS 84 -2.980 14.699 -12.932 644 1HG LYS 84 2HG LYS 84 -4.980 15.480 -11.539 645 2HG LYS 84 1HG LYS 84 -4.282 14.512 -10.239 646 1HD LYS 84 2HD LYS 84 -2.264 15.794 -10.282 647 2HD LYS 84 1HD LYS 84 -2.776 16.650 -11.737 648 1HE LYS 84 2HE LYS 84 -4.740 17.501 -10.390 649 2HE LYS 84 1HE LYS 84 -3.928 16.855 -8.965 650 1HZ LYS 84 1HZ LYS 84 -3.463 19.213 -9.303 651 2HZ LYS 84 2HZ LYS 84 -2.784 18.877 -10.818 652 3HZ LYS 84 3HZ LYS 84 -2.045 18.284 -9.408 653 H GLU 85 H GLU 85 -2.703 11.403 -13.020 654 HA GLU 85 HA GLU 85 -2.148 11.919 -15.798 655 1HB GLU 85 2HB GLU 85 -0.376 11.331 -14.106 656 2HB GLU 85 1HB GLU 85 -1.003 9.686 -14.122 657 1HG GLU 85 2HG GLU 85 -0.354 9.330 -16.333 658 2HG GLU 85 1HG GLU 85 -0.173 11.054 -16.649 659 H ASP 86 H ASP 86 -3.400 11.232 -17.292 660 HA ASP 86 HA ASP 86 -5.512 9.440 -16.947 661 1HB ASP 86 2HB ASP 86 -5.387 11.266 -18.631 662 2HB ASP 86 1HB ASP 86 -4.238 10.299 -19.550 663 H SER 87 H SER 87 -2.245 8.890 -18.035 664 HA SER 87 HA SER 87 -2.555 6.466 -19.376 665 1HB SER 87 2HB SER 87 -0.213 7.353 -17.686 666 2HB SER 87 1HB SER 87 -0.180 6.112 -18.938 667 HG SER 87 HG SER 87 -0.792 7.765 -20.439 668 H TYR 88 H TYR 88 -2.778 7.150 -15.997 669 HA TYR 88 HA TYR 88 -2.119 4.470 -15.157 670 1HB TYR 88 2HB TYR 88 -3.104 6.914 -13.700 671 2HB TYR 88 1HB TYR 88 -2.926 5.356 -12.902 672 HD1 TYR 88 HD1 TYR 88 -1.438 8.316 -12.912 673 HD2 TYR 88 HD2 TYR 88 -0.437 4.309 -13.947 674 HE1 TYR 88 HE1 TYR 88 0.933 8.800 -12.476 675 HE2 TYR 88 HE2 TYR 88 1.936 4.786 -13.516 676 HH TYR 88 HH TYR 88 2.980 7.532 -11.865 677 H GLN 89 H GLN 89 -4.906 5.983 -16.359 678 HA GLN 89 HA GLN 89 -6.789 4.438 -14.814 679 1HB GLN 89 2HB GLN 89 -7.173 6.180 -17.253 680 2HB GLN 89 1HB GLN 89 -8.483 5.390 -16.384 681 1HG GLN 89 2HG GLN 89 -7.716 6.619 -14.328 682 2HG GLN 89 1HG GLN 89 -6.635 7.535 -15.375 683 1HE2 GLN 89 1HE2 GLN 89 -7.510 8.987 -16.862 684 2HE2 GLN 89 2HE2 GLN 89 -9.131 9.565 -16.725 685 H ASP 90 H ASP 90 -4.668 3.449 -16.976 686 HA ASP 90 HA ASP 90 -6.142 1.735 -18.687 687 1HB ASP 90 2HB ASP 90 -3.746 2.264 -19.030 688 2HB ASP 90 1HB ASP 90 -3.349 1.395 -17.552 689 H VAL 91 H VAL 91 -4.760 1.397 -15.475 690 HA VAL 91 HA VAL 91 -6.119 -1.190 -15.178 691 HB VAL 91 HB VAL 91 -4.603 -1.548 -13.227 692 1HG1 VAL 91 1HG1 VAL 91 -3.207 -1.021 -15.852 693 2HG1 VAL 91 2HG1 VAL 91 -4.094 -2.487 -15.438 694 3HG1 VAL 91 3HG1 VAL 91 -2.625 -2.068 -14.557 695 1HG2 VAL 91 1HG2 VAL 91 -4.102 0.779 -12.713 696 2HG2 VAL 91 2HG2 VAL 91 -3.268 0.955 -14.257 697 3HG2 VAL 91 3HG2 VAL 91 -2.613 -0.116 -13.017 698 H TYR 92 H TYR 92 -6.062 2.072 -14.084 699 HA TYR 92 HA TYR 92 -7.440 1.583 -11.615 700 1HB TYR 92 2HB TYR 92 -6.090 3.574 -11.747 701 2HB TYR 92 1HB TYR 92 -6.952 4.125 -13.181 702 HD1 TYR 92 HD1 TYR 92 -8.639 5.688 -12.920 703 HD2 TYR 92 HD2 TYR 92 -7.620 3.209 -9.614 704 HE1 TYR 92 HE1 TYR 92 -10.248 6.909 -11.512 705 HE2 TYR 92 HE2 TYR 92 -9.226 4.422 -8.203 706 HH TYR 92 HH TYR 92 -11.576 6.499 -9.477 707 H LEU 93 H LEU 93 -9.578 1.579 -11.217 708 HA LEU 93 HA LEU 93 -11.361 1.336 -13.451 709 1HB LEU 93 2HB LEU 93 -11.864 1.266 -10.475 710 2HB LEU 93 1HB LEU 93 -13.091 0.962 -11.689 711 HG LEU 93 HG LEU 93 -10.599 -0.697 -11.295 712 1HD1 LEU 93 1HD1 LEU 93 -13.470 -1.271 -10.576 713 2HD1 LEU 93 2HD1 LEU 93 -12.161 -0.947 -9.439 714 3HD1 LEU 93 3HD1 LEU 93 -12.123 -2.401 -10.438 715 1HD2 LEU 93 1HD2 LEU 93 -13.004 -1.107 -13.068 716 2HD2 LEU 93 2HD2 LEU 93 -11.664 -2.234 -12.863 717 3HD2 LEU 93 3HD2 LEU 93 -11.385 -0.661 -13.608 718 H GLY 94 H GLY 94 -11.319 3.346 -14.392 719 1HA GLY 94 2HA GLY 94 -11.896 5.769 -13.027 720 2HA GLY 94 1HA GLY 94 -11.938 5.524 -14.767 721 H LEU 95 H LEU 95 -13.750 7.126 -13.334 722 HA LEU 95 HA LEU 95 -16.226 5.543 -13.275 723 1HB LEU 95 2HB LEU 95 -15.643 8.319 -12.230 724 2HB LEU 95 1HB LEU 95 -17.219 7.557 -12.185 725 HG LEU 95 HG LEU 95 -16.103 5.725 -10.777 726 1HD1 LEU 95 1HD1 LEU 95 -13.781 6.327 -11.248 727 2HD1 LEU 95 2HD1 LEU 95 -14.131 6.399 -9.521 728 3HD1 LEU 95 3HD1 LEU 95 -14.024 7.888 -10.461 729 1HD2 LEU 95 1HD2 LEU 95 -17.676 7.356 -9.890 730 2HD2 LEU 95 2HD2 LEU 95 -16.365 8.516 -9.670 731 3HD2 LEU 95 3HD2 LEU 95 -16.391 7.022 -8.730 732 H GLU 96 H GLU 96 -18.005 6.105 -14.524 733 HA GLU 96 HA GLU 96 -17.482 8.088 -16.634 734 1HB GLU 96 2HB GLU 96 -19.228 5.624 -16.699 735 2HB GLU 96 1HB GLU 96 -19.173 6.829 -17.976 736 1HG GLU 96 2HG GLU 96 -16.764 6.349 -18.264 737 2HG GLU 96 1HG GLU 96 -16.914 5.067 -17.063 738 H HIS 97 H HIS 97 -19.345 9.275 -17.407 739 HA HIS 97 HA HIS 97 -20.758 10.477 -15.284 740 1HB HIS 97 2HB HIS 97 -21.749 11.888 -16.925 741 2HB HIS 97 1HB HIS 97 -20.124 11.542 -17.501 742 HD1 HIS 97 HD1 HIS 97 -19.955 9.796 -19.522 743 HD2 HIS 97 HD2 HIS 97 -23.780 11.166 -18.621 744 HE1 HIS 97 HE1 HIS 97 -21.378 9.190 -21.504 745 HE2 HIS 97 HE2 HIS 97 -23.682 10.073 -20.967 746 H HIS 98 H HIS 98 -23.025 10.567 -14.889 747 HA HIS 98 HA HIS 98 -24.376 8.033 -15.442 748 1HB HIS 98 2HB HIS 98 -25.117 10.317 -13.597 749 2HB HIS 98 1HB HIS 98 -26.038 8.827 -13.769 750 HD1 HIS 98 HD1 HIS 98 -23.766 10.297 -11.549 751 HD2 HIS 98 HD2 HIS 98 -24.074 6.503 -13.236 752 HE1 HIS 98 HE1 HIS 98 -22.444 8.769 -10.044 753 HE2 HIS 98 HE2 HIS 98 -22.575 6.494 -11.124 754 H HIS 99 H HIS 99 -26.382 7.901 -16.436 755 HA HIS 99 HA HIS 99 -27.018 10.220 -18.128 756 1HB HIS 99 2HB HIS 99 -26.401 8.086 -19.257 757 2HB HIS 99 1HB HIS 99 -27.795 7.319 -18.508 758 HD1 HIS 99 HD1 HIS 99 -27.450 10.600 -20.422 759 HD2 HIS 99 HD2 HIS 99 -29.646 7.065 -20.455 760 HE1 HIS 99 HE1 HIS 99 -29.102 10.840 -22.307 761 HE2 HIS 99 HE2 HIS 99 -30.350 8.653 -22.370 762 H HIS 100 H HIS 100 -28.536 7.646 -16.209 763 HA HIS 100 HA HIS 100 -30.973 9.298 -16.047 764 1HB HIS 100 2HB HIS 100 -31.280 7.022 -16.979 765 2HB HIS 100 1HB HIS 100 -30.627 6.338 -15.499 766 HD1 HIS 100 HD1 HIS 100 -33.734 7.650 -17.011 767 HD2 HIS 100 HD2 HIS 100 -32.364 6.556 -13.237 768 HE1 HIS 100 HE1 HIS 100 -35.788 7.430 -15.579 769 HE2 HIS 100 HE2 HIS 100 -34.946 6.550 -13.371 770 H HIS 101 H HIS 101 -30.533 10.637 -14.347 771 HA HIS 101 HA HIS 101 -29.364 9.529 -11.933 772 1HB HIS 101 2HB HIS 101 -29.473 11.919 -11.101 773 2HB HIS 101 1HB HIS 101 -28.447 11.637 -12.499 774 HD1 HIS 101 HD1 HIS 101 -29.170 12.701 -14.740 775 HD2 HIS 101 HD2 HIS 101 -31.691 13.575 -11.547 776 HE1 HIS 101 HE1 HIS 101 -30.649 14.583 -15.532 777 HE2 HIS 101 HE2 HIS 101 -32.089 15.170 -13.547 778 H HIS 102 HN HIS 102 -31.038 8.141 -11.333 779 HA HIS 102 HA HIS 102 -32.826 9.252 -9.440 780 1HB HIS 102 2HB HIS 102 -34.072 9.731 -11.589 781 2HB HIS 102 1HB HIS 102 -34.163 7.994 -11.851 782 HD1 HIS 102 HD1 HIS 102 -35.876 6.675 -10.474 783 HD2 HIS 102 HD2 HIS 102 -35.725 10.720 -9.525 784 HE1 HIS 102 HE1 HIS 102 -37.911 7.118 -9.064 785 HE2 HIS 102 HE2 HIS 102 -37.759 9.552 -8.428 Start of MODEL 5 1 1H MET 1 1H MET 1 26.407 -0.768 -2.123 2 2H MET 1 2H MET 1 27.682 -1.813 -2.505 3 3H MET 1 3H MET 1 26.103 -2.421 -2.348 4 HA MET 1 HA MET 1 27.109 -0.589 -4.449 5 1HB MET 1 2HB MET 1 26.030 -3.416 -4.595 6 2HB MET 1 1HB MET 1 26.511 -2.437 -5.972 7 1HG MET 1 2HG MET 1 28.802 -2.440 -5.236 8 2HG MET 1 1HG MET 1 28.357 -3.290 -3.758 9 1HE MET 1 1HE MET 1 30.388 -5.991 -5.720 10 2HE MET 1 2HE MET 1 30.211 -5.123 -4.195 11 3HE MET 1 3HE MET 1 30.691 -4.256 -5.654 12 H SER 2 H SER 2 25.607 0.992 -4.393 13 HA SER 2 HA SER 2 23.670 2.061 -4.860 14 1HB SER 2 2HB SER 2 23.438 0.458 -6.743 15 2HB SER 2 1HB SER 2 22.569 -0.641 -5.674 16 HG SER 2 HG SER 2 21.221 0.744 -7.003 17 H ASN 3 H ASN 3 21.540 2.431 -4.002 18 HA ASN 3 HA ASN 3 20.826 0.829 -1.656 19 1HB ASN 3 2HB ASN 3 21.228 3.836 -1.614 20 2HB ASN 3 1HB ASN 3 20.548 2.889 -0.298 21 1HD2 ASN 3 1HD2 ASN 3 21.876 1.580 0.927 22 2HD2 ASN 3 2HD2 ASN 3 23.606 1.740 0.901 23 H LEU 4 H LEU 4 19.809 1.639 -4.468 24 HA LEU 4 HA LEU 4 17.202 2.700 -3.628 25 1HB LEU 4 2HB LEU 4 18.810 3.332 -6.102 26 2HB LEU 4 1HB LEU 4 17.107 3.710 -5.959 27 HG LEU 4 HG LEU 4 18.245 5.712 -5.503 28 1HD1 LEU 4 1HD1 LEU 4 17.718 6.196 -3.167 29 2HD1 LEU 4 2HD1 LEU 4 17.539 4.468 -2.857 30 3HD1 LEU 4 3HD1 LEU 4 16.431 5.284 -3.959 31 1HD2 LEU 4 1HD2 LEU 4 20.051 5.917 -3.854 32 2HD2 LEU 4 2HD2 LEU 4 20.476 4.829 -5.176 33 3HD2 LEU 4 3HD2 LEU 4 20.010 4.171 -3.609 34 H GLU 5 H GLU 5 16.336 2.537 -6.404 35 HA GLU 5 HA GLU 5 15.122 1.207 -7.745 36 1HB GLU 5 2HB GLU 5 17.175 -0.797 -6.859 37 2HB GLU 5 1HB GLU 5 15.841 -1.257 -7.909 38 1HG GLU 5 2HG GLU 5 17.926 0.839 -8.481 39 2HG GLU 5 1HG GLU 5 17.802 -0.757 -9.223 40 H ILE 6 H ILE 6 13.981 -1.186 -7.620 41 HA ILE 6 HA ILE 6 12.089 -0.679 -5.497 42 HB ILE 6 HB ILE 6 11.970 -2.729 -7.713 43 1HG1 ILE 6 2HG1 ILE 6 10.700 0.015 -7.543 44 2HG1 ILE 6 1HG1 ILE 6 12.083 -0.395 -8.550 45 1HG2 ILE 6 1HG2 ILE 6 10.536 -3.279 -5.824 46 2HG2 ILE 6 2HG2 ILE 6 9.574 -2.793 -7.221 47 3HG2 ILE 6 3HG2 ILE 6 9.820 -1.668 -5.885 48 1HD1 ILE 6 1HD1 ILE 6 10.037 -0.320 -9.850 49 2HD1 ILE 6 2HD1 ILE 6 9.313 -1.543 -8.804 50 3HD1 ILE 6 3HD1 ILE 6 10.698 -1.955 -9.817 51 H LYS 7 H LYS 7 12.650 -1.473 -3.574 52 HA LYS 7 HA LYS 7 13.704 -4.180 -3.357 53 1HB LYS 7 2HB LYS 7 14.512 -2.186 -1.954 54 2HB LYS 7 1HB LYS 7 12.986 -2.316 -1.093 55 1HG LYS 7 2HG LYS 7 14.695 -3.450 0.146 56 2HG LYS 7 1HG LYS 7 13.554 -4.637 -0.493 57 1HD LYS 7 2HD LYS 7 15.086 -5.165 -2.306 58 2HD LYS 7 1HD LYS 7 16.216 -3.935 -1.733 59 1HE LYS 7 2HE LYS 7 15.346 -6.377 -0.192 60 2HE LYS 7 1HE LYS 7 16.872 -6.209 -1.057 61 1HZ LYS 7 1HZ LYS 7 15.977 -4.632 1.300 62 2HZ LYS 7 2HZ LYS 7 17.390 -4.305 0.416 63 3HZ LYS 7 3HZ LYS 7 17.228 -5.775 1.251 64 H GLN 8 H GLN 8 12.293 -5.812 -3.335 65 HA GLN 8 HA GLN 8 9.488 -5.246 -3.110 66 1HB GLN 8 2HB GLN 8 9.136 -7.560 -3.741 67 2HB GLN 8 1HB GLN 8 10.351 -6.836 -4.787 68 1HG GLN 8 2HG GLN 8 12.112 -7.915 -3.465 69 2HG GLN 8 1HG GLN 8 10.876 -8.662 -2.454 70 1HE2 GLN 8 1HE2 GLN 8 9.592 -10.303 -3.311 71 2HE2 GLN 8 2HE2 GLN 8 10.035 -11.153 -4.747 72 H GLY 9 H GLY 9 8.020 -6.381 -1.757 73 1HA GLY 9 2HA GLY 9 9.034 -7.824 0.547 74 2HA GLY 9 1HA GLY 9 8.217 -6.301 0.895 75 H GLU 10 H GLU 10 6.967 -8.283 2.023 76 HA GLU 10 HA GLU 10 5.218 -9.741 0.297 77 1HB GLU 10 2HB GLU 10 4.105 -9.631 2.919 78 2HB GLU 10 1HB GLU 10 4.895 -10.977 2.118 79 1HG GLU 10 2HG GLU 10 5.985 -10.627 4.189 80 2HG GLU 10 1HG GLU 10 7.078 -10.073 2.924 81 H ASN 11 H ASN 11 3.906 -8.614 -0.923 82 HA ASN 11 HA ASN 11 2.019 -7.544 -1.548 83 1HB ASN 11 2HB ASN 11 1.510 -7.359 1.422 84 2HB ASN 11 1HB ASN 11 0.396 -6.731 0.212 85 1HD2 ASN 11 1HD2 ASN 11 1.615 -9.526 1.788 86 2HD2 ASN 11 2HD2 ASN 11 0.557 -10.674 1.050 87 H LYS 12 H LYS 12 4.647 -6.135 -0.770 88 HA LYS 12 HA LYS 12 3.597 -3.572 -1.543 89 1HB LYS 12 2HB LYS 12 4.366 -2.234 0.223 90 2HB LYS 12 1HB LYS 12 3.527 -3.569 0.992 91 1HG LYS 12 2HG LYS 12 6.410 -3.979 0.648 92 2HG LYS 12 1HG LYS 12 5.974 -2.640 1.710 93 1HD LYS 12 2HD LYS 12 4.400 -4.309 2.850 94 2HD LYS 12 1HD LYS 12 5.304 -5.555 1.983 95 1HE LYS 12 2HE LYS 12 7.376 -4.777 3.008 96 2HE LYS 12 1HE LYS 12 6.498 -3.499 3.845 97 1HZ LYS 12 1HZ LYS 12 6.370 -6.420 4.297 98 2HZ LYS 12 2HZ LYS 12 5.163 -5.378 4.870 99 3HZ LYS 12 3HZ LYS 12 6.761 -5.197 5.411 100 H PHE 13 H PHE 13 5.058 -2.245 -2.531 101 HA PHE 13 HA PHE 13 7.821 -3.240 -2.763 102 1HB PHE 13 2HB PHE 13 6.195 -1.576 -4.701 103 2HB PHE 13 1HB PHE 13 7.916 -1.893 -4.880 104 HD1 PHE 13 HD1 PHE 13 8.333 -4.626 -4.464 105 HD2 PHE 13 HD2 PHE 13 4.935 -2.744 -6.203 106 HE1 PHE 13 HE1 PHE 13 7.835 -6.685 -5.714 107 HE2 PHE 13 HE2 PHE 13 4.428 -4.802 -7.450 108 HZ PHE 13 HZ PHE 13 5.882 -6.776 -7.210 109 H TYR 14 H TYR 14 9.437 -1.858 -2.173 110 HA TYR 14 HA TYR 14 8.726 0.916 -1.623 111 1HB TYR 14 2HB TYR 14 9.975 0.748 0.582 112 2HB TYR 14 1HB TYR 14 8.393 -0.014 0.531 113 HD1 TYR 14 HD1 TYR 14 11.970 -0.541 0.912 114 HD2 TYR 14 HD2 TYR 14 8.204 -2.472 0.493 115 HE1 TYR 14 HE1 TYR 14 12.963 -2.646 1.707 116 HE2 TYR 14 HE2 TYR 14 9.182 -4.578 1.286 117 HH TYR 14 HH TYR 14 11.449 -5.631 1.373 118 H ILE 15 H ILE 15 10.425 2.360 -1.714 119 HA ILE 15 HA ILE 15 12.927 1.208 -2.736 120 HB ILE 15 HB ILE 15 11.692 3.901 -3.302 121 1HG1 ILE 15 2HG1 ILE 15 12.400 1.495 -4.995 122 2HG1 ILE 15 1HG1 ILE 15 10.790 2.106 -4.642 123 1HG2 ILE 15 1HG2 ILE 15 13.684 4.368 -4.679 124 2HG2 ILE 15 2HG2 ILE 15 14.439 2.901 -4.053 125 3HG2 ILE 15 3HG2 ILE 15 14.070 4.237 -2.964 126 1HD1 ILE 15 1HD1 ILE 15 11.152 4.029 -6.007 127 2HD1 ILE 15 2HD1 ILE 15 11.603 2.598 -6.931 128 3HD1 ILE 15 3HD1 ILE 15 12.853 3.617 -6.219 129 H GLY 16 H GLY 16 14.610 1.331 -1.578 130 1HA GLY 16 2HA GLY 16 15.803 3.196 -0.090 131 2HA GLY 16 1HA GLY 16 14.546 2.619 1.006 132 H ASP 17 H ASP 17 16.891 2.114 2.037 133 HA ASP 17 HA ASP 17 18.149 -0.259 1.090 134 1HB ASP 17 2HB ASP 17 18.279 1.215 3.706 135 2HB ASP 17 1HB ASP 17 19.112 -0.322 3.481 136 H ASP 18 H ASP 18 15.644 0.344 3.474 137 HA ASP 18 HA ASP 18 14.840 -2.436 3.300 138 1HB ASP 18 2HB ASP 18 16.557 -1.950 5.282 139 2HB ASP 18 1HB ASP 18 15.092 -1.381 6.079 140 H GLU 19 H GLU 19 12.980 -2.456 5.365 141 HA GLU 19 HA GLU 19 11.060 -0.578 4.219 142 1HB GLU 19 2HB GLU 19 9.382 -2.005 5.506 143 2HB GLU 19 1HB GLU 19 10.200 -2.745 4.142 144 1HG GLU 19 2HG GLU 19 10.183 -4.383 5.792 145 2HG GLU 19 1HG GLU 19 11.814 -3.728 5.838 146 H ASN 20 H ASN 20 12.979 -0.846 6.959 147 HA ASN 20 HA ASN 20 11.200 0.662 8.679 148 1HB ASN 20 2HB ASN 20 13.114 0.659 10.281 149 2HB ASN 20 1HB ASN 20 12.606 -0.951 9.788 150 1HD2 ASN 20 1HD2 ASN 20 13.970 -2.214 8.593 151 2HD2 ASN 20 2HD2 ASN 20 15.643 -1.822 8.354 152 H ASN 21 H ASN 21 13.700 1.269 6.392 153 HA ASN 21 HA ASN 21 13.526 4.124 7.068 154 1HB ASN 21 2HB ASN 21 15.835 4.446 6.404 155 2HB ASN 21 1HB ASN 21 15.760 3.200 7.642 156 1HD2 ASN 21 1HD2 ASN 21 17.804 3.756 5.672 157 2HD2 ASN 21 2HD2 ASN 21 17.994 2.311 4.737 158 H ALA 22 H ALA 22 11.987 2.425 5.231 159 HA ALA 22 HA ALA 22 12.713 2.860 2.550 160 1HB ALA 22 1HB ALA 22 9.954 2.518 3.737 161 2HB ALA 22 2HB ALA 22 11.022 1.226 3.192 162 3HB ALA 22 3HB ALA 22 10.366 2.374 2.027 163 H LEU 23 H LEU 23 12.792 4.671 1.405 164 HA LEU 23 HA LEU 23 11.878 7.140 2.537 165 1HB LEU 23 2HB LEU 23 13.036 6.547 -0.186 166 2HB LEU 23 1HB LEU 23 12.765 8.151 0.468 167 HG LEU 23 HG LEU 23 14.699 6.096 1.554 168 1HD1 LEU 23 1HD1 LEU 23 15.186 8.733 0.176 169 2HD1 LEU 23 2HD1 LEU 23 15.416 7.139 -0.544 170 3HD1 LEU 23 3HD1 LEU 23 16.418 7.643 0.817 171 1HD2 LEU 23 1HD2 LEU 23 14.082 8.902 2.483 172 2HD2 LEU 23 2HD2 LEU 23 15.423 7.911 3.059 173 3HD2 LEU 23 3HD2 LEU 23 13.761 7.408 3.365 174 H ALA 24 H ALA 24 10.710 4.840 0.226 175 HA ALA 24 HA ALA 24 8.100 6.092 0.364 176 1HB ALA 24 1HB ALA 24 9.083 7.273 -1.537 177 2HB ALA 24 2HB ALA 24 7.775 6.212 -2.061 178 3HB ALA 24 3HB ALA 24 9.454 5.731 -2.309 179 H GLU 25 H GLU 25 6.574 4.529 0.482 180 HA GLU 25 HA GLU 25 7.193 1.948 -0.778 181 1HB GLU 25 2HB GLU 25 6.653 0.672 1.082 182 2HB GLU 25 1HB GLU 25 7.539 2.012 1.786 183 1HG GLU 25 2HG GLU 25 4.542 1.870 1.682 184 2HG GLU 25 1HG GLU 25 5.501 1.278 3.031 185 H ILE 26 H ILE 26 5.438 0.748 -1.515 186 HA ILE 26 HA ILE 26 2.808 2.037 -1.342 187 HB ILE 26 HB ILE 26 3.703 2.653 -3.516 188 1HG1 ILE 26 2HG1 ILE 26 1.653 0.457 -3.857 189 2HG1 ILE 26 1HG1 ILE 26 1.283 2.079 -3.281 190 1HG2 ILE 26 1HG2 ILE 26 4.282 0.985 -5.207 191 2HG2 ILE 26 2HG2 ILE 26 4.036 -0.298 -4.022 192 3HG2 ILE 26 3HG2 ILE 26 5.334 0.872 -3.795 193 1HD1 ILE 26 1HD1 ILE 26 2.418 1.384 -5.980 194 2HD1 ILE 26 2HD1 ILE 26 2.039 3.009 -5.406 195 3HD1 ILE 26 3HD1 ILE 26 0.747 1.830 -5.635 196 H THR 27 H THR 27 1.253 0.679 -0.758 197 HA THR 27 HA THR 27 1.898 -2.188 -0.650 198 HB THR 27 HB THR 27 -0.022 -2.217 1.045 199 HG1 THR 27 HG1 THR 27 0.501 0.590 0.952 200 1HG2 THR 27 1HG2 THR 27 2.474 -0.643 1.697 201 2HG2 THR 27 2HG2 THR 27 2.306 -2.397 1.741 202 3HG2 THR 27 3HG2 THR 27 1.404 -1.398 2.878 203 H TYR 28 H TYR 28 0.541 -3.692 -1.532 204 HA TYR 28 HA TYR 28 -2.109 -2.974 -2.420 205 1HB TYR 28 2HB TYR 28 -1.829 -3.331 -4.743 206 2HB TYR 28 1HB TYR 28 -0.500 -2.270 -4.291 207 HD1 TYR 28 HD1 TYR 28 -1.419 -5.327 -5.858 208 HD2 TYR 28 HD2 TYR 28 1.793 -3.387 -3.854 209 HE1 TYR 28 HE1 TYR 28 0.157 -6.937 -6.840 210 HE2 TYR 28 HE2 TYR 28 3.380 -4.991 -4.833 211 HH TYR 28 HH TYR 28 3.354 -7.278 -5.757 212 H ARG 29 H ARG 29 -3.410 -4.793 -2.712 213 HA ARG 29 HA ARG 29 -2.164 -7.416 -2.558 214 1HB ARG 29 2HB ARG 29 -3.569 -8.069 -0.596 215 2HB ARG 29 1HB ARG 29 -2.318 -6.889 -0.221 216 1HG ARG 29 2HG ARG 29 -4.041 -5.103 -0.396 217 2HG ARG 29 1HG ARG 29 -5.260 -6.367 -0.580 218 1HD ARG 29 2HD ARG 29 -3.390 -6.128 1.768 219 2HD ARG 29 1HD ARG 29 -5.033 -5.489 1.738 220 HE ARG 29 HE ARG 29 -4.760 -8.322 1.147 221 1HH1 ARG 29 2HH1 ARG 29 -5.382 -5.860 3.549 222 2HH1 ARG 29 1HH1 ARG 29 -6.193 -6.941 4.645 223 1HH2 ARG 29 1HH2 ARG 29 -5.788 -9.764 2.595 224 2HH2 ARG 29 2HH2 ARG 29 -6.437 -9.167 4.093 225 H PHE 30 H PHE 30 -3.464 -9.093 -3.230 226 HA PHE 30 HA PHE 30 -5.705 -8.404 -4.887 227 1HB PHE 30 2HB PHE 30 -4.620 -11.121 -4.103 228 2HB PHE 30 1HB PHE 30 -5.814 -10.826 -5.359 229 HD1 PHE 30 HD1 PHE 30 -2.289 -10.373 -4.402 230 HD2 PHE 30 HD2 PHE 30 -5.168 -10.107 -7.525 231 HE1 PHE 30 HE1 PHE 30 -0.475 -10.128 -6.047 232 HE2 PHE 30 HE2 PHE 30 -3.361 -9.862 -9.176 233 HZ PHE 30 HZ PHE 30 -1.009 -9.871 -8.438 234 H VAL 31 H VAL 31 -7.558 -7.864 -3.875 235 HA VAL 31 HA VAL 31 -8.160 -8.906 -1.265 236 HB VAL 31 HB VAL 31 -10.237 -7.537 -1.421 237 1HG1 VAL 31 1HG1 VAL 31 -9.087 -5.374 -1.356 238 2HG1 VAL 31 2HG1 VAL 31 -7.657 -6.121 -2.068 239 3HG1 VAL 31 3HG1 VAL 31 -8.206 -6.617 -0.467 240 1HG2 VAL 31 1HG2 VAL 31 -10.593 -7.632 -3.830 241 2HG2 VAL 31 2HG2 VAL 31 -9.106 -6.720 -4.097 242 3HG2 VAL 31 3HG2 VAL 31 -10.473 -5.960 -3.282 243 H ASP 32 H ASP 32 -9.272 -9.537 -4.530 244 HA ASP 32 HA ASP 32 -10.823 -11.775 -3.444 245 1HB ASP 32 2HB ASP 32 -11.766 -9.811 -5.533 246 2HB ASP 32 1HB ASP 32 -12.510 -11.388 -5.300 247 H ASN 33 H ASN 33 -10.447 -10.683 -6.804 248 HA ASN 33 HA ASN 33 -8.910 -13.157 -7.295 249 1HB ASN 33 2HB ASN 33 -11.207 -12.026 -8.889 250 2HB ASN 33 1HB ASN 33 -10.066 -13.173 -9.579 251 1HD2 ASN 33 1HD2 ASN 33 -9.754 -14.614 -7.044 252 2HD2 ASN 33 2HD2 ASN 33 -11.199 -15.545 -6.851 253 H ASN 34 H ASN 34 -9.900 -10.221 -9.035 254 HA ASN 34 HA ASN 34 -7.109 -9.941 -9.946 255 1HB ASN 34 2HB ASN 34 -8.020 -8.899 -12.005 256 2HB ASN 34 1HB ASN 34 -8.550 -10.566 -11.814 257 1HD2 ASN 34 1HD2 ASN 34 -10.713 -11.000 -11.391 258 2HD2 ASN 34 2HD2 ASN 34 -11.949 -9.797 -11.535 259 H GLU 35 H GLU 35 -9.335 -8.752 -7.943 260 HA GLU 35 HA GLU 35 -8.959 -5.930 -8.409 261 1HB GLU 35 2HB GLU 35 -10.283 -7.385 -6.106 262 2HB GLU 35 1HB GLU 35 -10.370 -5.659 -6.415 263 1HG GLU 35 2HG GLU 35 -12.392 -6.457 -7.195 264 2HG GLU 35 1HG GLU 35 -11.423 -6.300 -8.654 265 H ILE 36 H ILE 36 -7.267 -4.830 -7.672 266 HA ILE 36 HA ILE 36 -5.935 -5.786 -5.222 267 HB ILE 36 HB ILE 36 -3.844 -4.701 -6.103 268 1HG1 ILE 36 2HG1 ILE 36 -5.368 -4.719 -8.722 269 2HG1 ILE 36 1HG1 ILE 36 -4.904 -3.280 -7.819 270 1HG2 ILE 36 1HG2 ILE 36 -3.253 -6.587 -7.553 271 2HG2 ILE 36 2HG2 ILE 36 -4.959 -7.021 -7.669 272 3HG2 ILE 36 3HG2 ILE 36 -4.132 -7.107 -6.114 273 1HD1 ILE 36 1HD1 ILE 36 -3.009 -5.270 -9.040 274 2HD1 ILE 36 2HD1 ILE 36 -2.556 -3.814 -8.156 275 3HD1 ILE 36 3HD1 ILE 36 -3.411 -3.683 -9.693 276 H ASN 37 H ASN 37 -5.973 -4.393 -3.574 277 HA ASN 37 HA ASN 37 -6.701 -1.616 -4.190 278 1HB ASN 37 2HB ASN 37 -7.924 -1.488 -2.251 279 2HB ASN 37 1HB ASN 37 -8.094 -3.203 -2.590 280 1HD2 ASN 37 1HD2 ASN 37 -6.891 -0.828 -0.435 281 2HD2 ASN 37 2HD2 ASN 37 -6.272 -1.914 0.763 282 H ILE 38 H ILE 38 -5.477 0.043 -3.571 283 HA ILE 38 HA ILE 38 -2.869 -0.567 -2.390 284 HB ILE 38 HB ILE 38 -3.869 1.980 -3.679 285 1HG1 ILE 38 2HG1 ILE 38 -1.965 -0.125 -4.727 286 2HG1 ILE 38 1HG1 ILE 38 -3.637 0.075 -5.240 287 1HG2 ILE 38 1HG2 ILE 38 -1.109 1.210 -2.733 288 2HG2 ILE 38 2HG2 ILE 38 -2.150 2.452 -2.039 289 3HG2 ILE 38 3HG2 ILE 38 -1.498 2.657 -3.664 290 1HD1 ILE 38 1HD1 ILE 38 -1.456 2.122 -5.580 291 2HD1 ILE 38 2HD1 ILE 38 -3.122 2.264 -6.143 292 3HD1 ILE 38 3HD1 ILE 38 -2.058 1.039 -6.834 293 H ASP 39 H ASP 39 -2.876 -0.525 -0.234 294 HA ASP 39 HA ASP 39 -4.901 0.866 1.240 295 1HB ASP 39 2HB ASP 39 -4.003 -1.350 1.912 296 2HB ASP 39 1HB ASP 39 -2.456 -0.589 2.267 297 H HIS 40 H HIS 40 -1.349 1.126 1.142 298 HA HIS 40 HA HIS 40 -1.602 3.955 1.879 299 1HB HIS 40 2HB HIS 40 -1.183 2.895 3.991 300 2HB HIS 40 1HB HIS 40 0.095 1.901 3.306 301 HD1 HIS 40 HD1 HIS 40 -0.612 5.414 4.473 302 HD2 HIS 40 HD2 HIS 40 2.596 3.088 3.204 303 HE1 HIS 40 HE1 HIS 40 1.447 6.777 4.944 304 HE2 HIS 40 HE2 HIS 40 3.371 5.396 4.080 305 H THR 41 H THR 41 -0.126 5.287 0.948 306 HA THR 41 HA THR 41 2.304 4.157 -0.213 307 HB THR 41 HB THR 41 0.470 5.975 -1.795 308 HG1 THR 41 HG1 THR 41 0.584 3.247 -1.536 309 1HG2 THR 41 1HG2 THR 41 2.843 6.283 -2.308 310 2HG2 THR 41 2HG2 THR 41 2.012 5.495 -3.650 311 3HG2 THR 41 3HG2 THR 41 3.023 4.547 -2.560 312 H GLY 42 H GLY 42 3.789 5.254 0.944 313 1HA GLY 42 2HA GLY 42 3.365 8.160 1.302 314 2HA GLY 42 1HA GLY 42 4.278 7.145 2.408 315 H VAL 43 H VAL 43 4.419 9.170 -0.288 316 HA VAL 43 HA VAL 43 7.183 8.338 -0.862 317 HB VAL 43 HB VAL 43 5.369 10.099 -2.534 318 1HG1 VAL 43 1HG1 VAL 43 7.078 9.870 -4.260 319 2HG1 VAL 43 2HG1 VAL 43 8.075 8.923 -3.157 320 3HG1 VAL 43 3HG1 VAL 43 7.742 10.618 -2.806 321 1HG2 VAL 43 1HG2 VAL 43 6.199 7.229 -2.962 322 2HG2 VAL 43 2HG2 VAL 43 5.235 8.207 -4.070 323 3HG2 VAL 43 3HG2 VAL 43 4.594 7.779 -2.484 324 H SER 44 H SER 44 8.748 9.568 -0.065 325 HA SER 44 HA SER 44 8.198 11.940 1.391 326 1HB SER 44 2HB SER 44 10.851 10.785 0.494 327 2HB SER 44 1HB SER 44 10.638 12.048 1.706 328 HG SER 44 HG SER 44 9.920 9.313 1.835 329 H ASP 45 H ASP 45 8.911 14.063 0.995 330 HA ASP 45 HA ASP 45 9.240 14.708 -1.871 331 1HB ASP 45 2HB ASP 45 8.186 16.429 0.388 332 2HB ASP 45 1HB ASP 45 8.384 16.962 -1.276 333 H GLU 46 H GLU 46 11.286 13.994 0.224 334 HA GLU 46 HA GLU 46 12.592 16.254 1.194 335 1HB GLU 46 2HB GLU 46 14.561 14.742 1.473 336 2HB GLU 46 1HB GLU 46 13.065 14.143 2.171 337 1HG GLU 46 2HG GLU 46 12.756 12.652 0.275 338 2HG GLU 46 1HG GLU 46 14.227 13.279 -0.470 339 H LEU 47 H LEU 47 12.742 14.813 -1.977 340 HA LEU 47 HA LEU 47 14.978 16.601 -2.656 341 1HB LEU 47 2HB LEU 47 13.922 14.173 -4.104 342 2HB LEU 47 1HB LEU 47 15.194 15.213 -4.713 343 HG LEU 47 HG LEU 47 15.325 13.522 -2.214 344 1HD1 LEU 47 1HD1 LEU 47 15.490 12.238 -4.277 345 2HD1 LEU 47 2HD1 LEU 47 17.041 12.291 -3.439 346 3HD1 LEU 47 3HD1 LEU 47 16.767 13.310 -4.852 347 1HD2 LEU 47 1HD2 LEU 47 16.542 15.628 -1.939 348 2HD2 LEU 47 2HD2 LEU 47 17.413 15.323 -3.442 349 3HD2 LEU 47 3HD2 LEU 47 17.645 14.257 -2.055 350 H GLY 48 H GLY 48 11.855 16.918 -2.522 351 1HA GLY 48 2HA GLY 48 10.293 18.207 -3.603 352 2HA GLY 48 1HA GLY 48 11.642 18.950 -4.449 353 H GLY 49 H GLY 49 9.987 15.790 -4.468 354 1HA GLY 49 2HA GLY 49 8.828 14.872 -6.315 355 2HA GLY 49 1HA GLY 49 9.574 16.084 -7.348 356 H GLN 50 H GLN 50 9.547 12.886 -6.603 357 HA GLN 50 HA GLN 50 12.285 12.501 -7.607 358 1HB GLN 50 2HB GLN 50 10.888 10.910 -5.445 359 2HB GLN 50 1HB GLN 50 12.421 10.462 -6.175 360 1HG GLN 50 2HG GLN 50 13.483 12.419 -5.280 361 2HG GLN 50 1HG GLN 50 11.942 13.024 -4.675 362 1HE2 GLN 50 1HE2 GLN 50 14.465 10.661 -4.240 363 2HE2 GLN 50 2HE2 GLN 50 14.013 10.195 -2.638 364 H GLY 51 H GLY 51 12.619 10.609 -8.861 365 1HA GLY 51 2HA GLY 51 10.311 9.779 -10.388 366 2HA GLY 51 1HA GLY 51 11.969 9.233 -10.615 367 H VAL 52 H VAL 52 11.421 8.928 -7.463 368 HA VAL 52 HA VAL 52 11.402 6.152 -7.322 369 HB VAL 52 HB VAL 52 10.576 8.216 -5.273 370 1HG1 VAL 52 1HG1 VAL 52 9.670 5.961 -4.760 371 2HG1 VAL 52 2HG1 VAL 52 10.832 6.550 -3.573 372 3HG1 VAL 52 3HG1 VAL 52 11.323 5.344 -4.758 373 1HG2 VAL 52 1HG2 VAL 52 12.863 8.468 -6.013 374 2HG2 VAL 52 2HG2 VAL 52 13.174 6.757 -5.721 375 3HG2 VAL 52 3HG2 VAL 52 12.833 7.836 -4.368 376 H GLY 53 H GLY 53 8.755 8.478 -7.207 377 1HA GLY 53 2HA GLY 53 6.771 6.712 -6.265 378 2HA GLY 53 1HA GLY 53 6.481 8.237 -7.085 379 H LYS 54 H LYS 54 7.350 7.896 -9.597 380 HA LYS 54 HA LYS 54 5.201 6.380 -10.644 381 1HB LYS 54 2HB LYS 54 6.372 8.479 -11.625 382 2HB LYS 54 1HB LYS 54 7.474 7.318 -12.355 383 1HG LYS 54 2HG LYS 54 5.680 6.261 -13.540 384 2HG LYS 54 1HG LYS 54 4.485 7.245 -12.696 385 1HD LYS 54 2HD LYS 54 5.676 9.258 -13.723 386 2HD LYS 54 1HD LYS 54 6.482 8.093 -14.775 387 1HE LYS 54 2HE LYS 54 4.310 7.290 -15.559 388 2HE LYS 54 1HE LYS 54 3.500 8.443 -14.500 389 1HZ LYS 54 1HZ LYS 54 5.059 8.961 -16.948 390 2HZ LYS 54 2HZ LYS 54 4.864 10.180 -15.785 391 3HZ LYS 54 3HZ LYS 54 3.499 9.500 -16.536 392 H LYS 55 H LYS 55 8.559 5.604 -10.089 393 HA LYS 55 HA LYS 55 8.737 3.340 -11.755 394 1HB LYS 55 2HB LYS 55 10.128 4.116 -9.205 395 2HB LYS 55 1HB LYS 55 10.400 2.538 -9.925 396 1HG LYS 55 2HG LYS 55 11.080 3.716 -12.029 397 2HG LYS 55 1HG LYS 55 11.006 5.229 -11.124 398 1HD LYS 55 2HD LYS 55 12.697 4.427 -9.582 399 2HD LYS 55 1HD LYS 55 12.714 2.852 -10.377 400 1HE LYS 55 2HE LYS 55 13.504 3.914 -12.442 401 2HE LYS 55 1HE LYS 55 13.514 5.478 -11.630 402 1HZ LYS 55 1HZ LYS 55 15.719 4.566 -11.655 403 2HZ LYS 55 2HZ LYS 55 15.188 3.121 -10.942 404 3HZ LYS 55 3HZ LYS 55 15.149 4.561 -10.057 405 H LEU 56 H LEU 56 7.747 3.667 -8.357 406 HA LEU 56 HA LEU 56 7.135 0.924 -7.985 407 1HB LEU 56 2HB LEU 56 6.146 3.367 -6.513 408 2HB LEU 56 1HB LEU 56 5.890 1.716 -5.983 409 HG LEU 56 HG LEU 56 8.588 3.039 -6.291 410 1HD1 LEU 56 1HD1 LEU 56 6.967 2.392 -3.832 411 2HD1 LEU 56 2HD1 LEU 56 7.357 4.000 -4.441 412 3HD1 LEU 56 3HD1 LEU 56 8.640 2.954 -3.832 413 1HD2 LEU 56 1HD2 LEU 56 7.813 0.349 -5.162 414 2HD2 LEU 56 2HD2 LEU 56 9.429 1.051 -5.136 415 3HD2 LEU 56 3HD2 LEU 56 8.674 0.633 -6.674 416 H LEU 57 H LEU 57 5.158 3.731 -8.821 417 HA LEU 57 HA LEU 57 2.668 2.455 -8.827 418 1HB LEU 57 2HB LEU 57 3.773 4.930 -10.017 419 2HB LEU 57 1HB LEU 57 2.279 4.327 -10.706 420 HG LEU 57 HG LEU 57 1.202 4.448 -8.507 421 1HD1 LEU 57 1HD1 LEU 57 3.095 4.059 -7.062 422 2HD1 LEU 57 2HD1 LEU 57 2.340 5.599 -6.651 423 3HD1 LEU 57 3HD1 LEU 57 3.839 5.570 -7.581 424 1HD2 LEU 57 1HD2 LEU 57 2.575 6.989 -9.360 425 2HD2 LEU 57 2HD2 LEU 57 1.164 6.894 -8.308 426 3HD2 LEU 57 3HD2 LEU 57 1.050 6.357 -9.984 427 H LYS 58 H LYS 58 4.992 2.932 -11.484 428 HA LYS 58 HA LYS 58 3.328 1.800 -13.472 429 1HB LYS 58 2HB LYS 58 5.219 3.247 -14.037 430 2HB LYS 58 1HB LYS 58 6.341 2.040 -13.418 431 1HG LYS 58 2HG LYS 58 5.740 0.501 -15.158 432 2HG LYS 58 1HG LYS 58 4.446 1.565 -15.711 433 1HD LYS 58 2HD LYS 58 6.415 1.707 -17.156 434 2HD LYS 58 1HD LYS 58 6.086 3.243 -16.356 435 1HE LYS 58 2HE LYS 58 7.846 2.846 -14.761 436 2HE LYS 58 1HE LYS 58 8.099 1.219 -15.394 437 1HZ LYS 58 1HZ LYS 58 8.483 3.697 -16.986 438 2HZ LYS 58 2HZ LYS 58 8.880 2.112 -17.446 439 3HZ LYS 58 3HZ LYS 58 9.739 2.868 -16.197 440 H ALA 59 H ALA 59 5.649 0.405 -11.233 441 HA ALA 59 HA ALA 59 5.910 -2.141 -12.351 442 1HB ALA 59 1HB ALA 59 7.272 -1.343 -10.475 443 2HB ALA 59 2HB ALA 59 6.518 -2.897 -10.113 444 3HB ALA 59 3HB ALA 59 5.859 -1.415 -9.422 445 H VAL 60 H VAL 60 3.489 -0.852 -10.125 446 HA VAL 60 HA VAL 60 2.017 -3.268 -9.852 447 HB VAL 60 HB VAL 60 1.071 -0.422 -9.451 448 1HG1 VAL 60 1HG1 VAL 60 -0.040 -3.011 -8.370 449 2HG1 VAL 60 2HG1 VAL 60 -0.765 -2.037 -9.649 450 3HG1 VAL 60 3HG1 VAL 60 -0.640 -1.392 -8.012 451 1HG2 VAL 60 1HG2 VAL 60 2.230 -2.374 -7.467 452 2HG2 VAL 60 2HG2 VAL 60 1.602 -0.768 -7.095 453 3HG2 VAL 60 3HG2 VAL 60 3.042 -0.942 -8.099 454 H VAL 61 H VAL 61 1.642 -0.409 -11.918 455 HA VAL 61 HA VAL 61 -0.784 -1.172 -13.133 456 HB VAL 61 HB VAL 61 1.393 0.600 -14.264 457 1HG1 VAL 61 1HG1 VAL 61 -0.420 1.586 -15.616 458 2HG1 VAL 61 2HG1 VAL 61 -1.518 0.344 -15.013 459 3HG1 VAL 61 3HG1 VAL 61 -0.134 -0.110 -16.005 460 1HG2 VAL 61 1HG2 VAL 61 -1.047 1.274 -12.622 461 2HG2 VAL 61 2HG2 VAL 61 0.020 2.451 -13.390 462 3HG2 VAL 61 3HG2 VAL 61 0.637 1.406 -12.110 463 H GLU 62 H GLU 62 2.586 -1.791 -14.033 464 HA GLU 62 HA GLU 62 2.071 -2.934 -16.561 465 1HB GLU 62 2HB GLU 62 4.311 -2.189 -15.709 466 2HB GLU 62 1HB GLU 62 4.343 -3.623 -14.689 467 1HG GLU 62 2HG GLU 62 4.149 -5.010 -16.741 468 2HG GLU 62 1HG GLU 62 4.299 -3.535 -17.694 469 H HIS 63 H HIS 63 2.262 -4.316 -13.316 470 HA HIS 63 HA HIS 63 1.938 -7.014 -14.173 471 1HB HIS 63 2HB HIS 63 2.820 -6.022 -11.892 472 2HB HIS 63 1HB HIS 63 1.122 -6.126 -11.437 473 HD1 HIS 63 HD1 HIS 63 4.168 -8.110 -11.797 474 HD2 HIS 63 HD2 HIS 63 0.084 -8.849 -11.529 475 HE1 HIS 63 HE1 HIS 63 3.956 -10.557 -11.260 476 HE2 HIS 63 HE2 HIS 63 1.483 -11.023 -11.320 477 H ALA 64 H ALA 64 -0.211 -4.396 -13.393 478 HA ALA 64 HA ALA 64 -2.610 -5.889 -13.179 479 1HB ALA 64 1HB ALA 64 -2.251 -3.025 -14.062 480 2HB ALA 64 2HB ALA 64 -2.415 -3.568 -12.392 481 3HB ALA 64 3HB ALA 64 -3.756 -3.770 -13.521 482 H ARG 65 H ARG 65 -0.878 -4.441 -15.885 483 HA ARG 65 HA ARG 65 -2.790 -4.999 -17.891 484 1HB ARG 65 2HB ARG 65 0.090 -4.307 -17.812 485 2HB ARG 65 1HB ARG 65 -0.471 -5.114 -19.267 486 1HG ARG 65 2HG ARG 65 -1.666 -2.602 -18.127 487 2HG ARG 65 1HG ARG 65 -0.496 -2.663 -19.448 488 1HD ARG 65 2HD ARG 65 -2.054 -4.002 -20.771 489 2HD ARG 65 1HD ARG 65 -3.221 -3.959 -19.450 490 HE ARG 65 HE ARG 65 -2.319 -1.544 -20.892 491 1HH1 ARG 65 2HH1 ARG 65 -4.842 -3.554 -19.555 492 2HH1 ARG 65 1HH1 ARG 65 -6.096 -2.376 -19.786 493 1HH2 ARG 65 1HH2 ARG 65 -3.946 0.025 -21.194 494 2HH2 ARG 65 2HH2 ARG 65 -5.581 -0.314 -20.680 495 H GLU 66 H GLU 66 -0.339 -6.908 -16.350 496 HA GLU 66 HA GLU 66 -0.112 -8.970 -18.237 497 1HB GLU 66 2HB GLU 66 1.525 -8.605 -16.483 498 2HB GLU 66 1HB GLU 66 0.330 -8.994 -15.254 499 1HG GLU 66 2HG GLU 66 0.221 -11.277 -16.040 500 2HG GLU 66 1HG GLU 66 1.340 -10.897 -17.350 501 H ASN 67 H ASN 67 -1.848 -9.120 -15.104 502 HA ASN 67 HA ASN 67 -3.304 -11.429 -16.182 503 1HB ASN 67 2HB ASN 67 -2.515 -10.600 -13.428 504 2HB ASN 67 1HB ASN 67 -3.939 -11.615 -13.628 505 1HD2 ASN 67 1HD2 ASN 67 -0.475 -11.439 -13.934 506 2HD2 ASN 67 2HD2 ASN 67 -0.216 -13.133 -14.159 507 H ASN 68 H ASN 68 -3.893 -8.414 -16.411 508 HA ASN 68 HA ASN 68 -5.704 -7.068 -16.563 509 1HB ASN 68 2HB ASN 68 -6.603 -9.049 -17.831 510 2HB ASN 68 1HB ASN 68 -7.356 -9.598 -16.338 511 1HD2 ASN 68 1HD2 ASN 68 -9.126 -8.474 -15.519 512 2HD2 ASN 68 2HD2 ASN 68 -10.017 -7.339 -16.473 513 H LEU 69 H LEU 69 -4.959 -6.382 -14.442 514 HA LEU 69 HA LEU 69 -6.689 -7.222 -12.223 515 1HB LEU 69 2HB LEU 69 -4.102 -5.668 -12.129 516 2HB LEU 69 1HB LEU 69 -5.003 -6.268 -10.749 517 HG LEU 69 HG LEU 69 -3.642 -7.982 -12.833 518 1HD1 LEU 69 1HD1 LEU 69 -2.921 -7.447 -9.954 519 2HD1 LEU 69 2HD1 LEU 69 -2.072 -6.805 -11.361 520 3HD1 LEU 69 3HD1 LEU 69 -2.083 -8.542 -11.053 521 1HD2 LEU 69 1HD2 LEU 69 -4.179 -9.846 -11.366 522 2HD2 LEU 69 2HD2 LEU 69 -5.652 -9.034 -11.899 523 3HD2 LEU 69 3HD2 LEU 69 -5.031 -8.757 -10.271 524 H LYS 70 H LYS 70 -7.857 -5.779 -11.053 525 HA LYS 70 HA LYS 70 -8.269 -3.153 -12.287 526 1HB LYS 70 2HB LYS 70 -9.941 -4.648 -10.251 527 2HB LYS 70 1HB LYS 70 -10.364 -3.106 -10.985 528 1HG LYS 70 2HG LYS 70 -10.598 -4.101 -13.131 529 2HG LYS 70 1HG LYS 70 -9.920 -5.625 -12.558 530 1HD LYS 70 2HD LYS 70 -11.844 -5.860 -11.021 531 2HD LYS 70 1HD LYS 70 -12.539 -4.391 -11.715 532 1HE LYS 70 2HE LYS 70 -12.746 -5.417 -13.861 533 2HE LYS 70 1HE LYS 70 -11.810 -6.818 -13.342 534 1HZ LYS 70 1HZ LYS 70 -14.161 -7.317 -13.392 535 2HZ LYS 70 2HZ LYS 70 -14.491 -6.045 -12.321 536 3HZ LYS 70 3HZ LYS 70 -13.590 -7.382 -11.798 537 H ILE 71 H ILE 71 -7.291 -1.467 -11.410 538 HA ILE 71 HA ILE 71 -6.107 -1.753 -8.765 539 HB ILE 71 HB ILE 71 -5.742 0.446 -10.805 540 1HG1 ILE 71 2HG1 ILE 71 -3.994 -1.930 -10.115 541 2HG1 ILE 71 1HG1 ILE 71 -4.906 -1.719 -11.606 542 1HG2 ILE 71 1HG2 ILE 71 -4.189 -0.169 -8.292 543 2HG2 ILE 71 2HG2 ILE 71 -5.305 1.178 -8.512 544 3HG2 ILE 71 3HG2 ILE 71 -3.816 1.103 -9.457 545 1HD1 ILE 71 1HD1 ILE 71 -2.558 -1.227 -11.944 546 2HD1 ILE 71 2HD1 ILE 71 -2.616 -0.004 -10.675 547 3HD1 ILE 71 3HD1 ILE 71 -3.534 0.226 -12.165 548 H ILE 72 H ILE 72 -7.199 -1.110 -7.066 549 HA ILE 72 HA ILE 72 -8.701 1.416 -7.251 550 HB ILE 72 HB ILE 72 -10.072 0.548 -5.310 551 1HG1 ILE 72 2HG1 ILE 72 -8.909 -2.106 -6.190 552 2HG1 ILE 72 1HG1 ILE 72 -8.570 -1.302 -4.663 553 1HG2 ILE 72 1HG2 ILE 72 -10.295 -0.888 -7.948 554 2HG2 ILE 72 2HG2 ILE 72 -10.956 0.700 -7.564 555 3HG2 ILE 72 3HG2 ILE 72 -11.580 -0.733 -6.749 556 1HD1 ILE 72 1HD1 ILE 72 -10.902 -1.537 -4.011 557 2HD1 ILE 72 2HD1 ILE 72 -10.181 -3.100 -4.393 558 3HD1 ILE 72 3HD1 ILE 72 -11.259 -2.321 -5.550 559 H ALA 73 H ALA 73 -7.918 2.996 -6.015 560 HA ALA 73 HA ALA 73 -5.829 2.299 -4.091 561 1HB ALA 73 1HB ALA 73 -5.124 4.618 -4.269 562 2HB ALA 73 2HB ALA 73 -6.510 4.974 -5.297 563 3HB ALA 73 3HB ALA 73 -5.250 3.881 -5.868 564 H SER 74 H SER 74 -6.434 2.121 -2.044 565 HA SER 74 HA SER 74 -8.725 3.492 -0.975 566 1HB SER 74 2HB SER 74 -6.563 1.975 0.515 567 2HB SER 74 1HB SER 74 -8.182 2.363 1.098 568 HG SER 74 HG SER 74 -8.803 0.566 0.233 569 H CYS 75 H CYS 75 -5.233 3.782 -0.890 570 HA CYS 75 HA CYS 75 -5.081 5.903 0.983 571 1HB CYS 75 2HB CYS 75 -3.164 4.464 0.403 572 2HB CYS 75 1HB CYS 75 -3.165 5.122 -1.229 573 HG CYS 75 HG CYS 75 -2.377 6.791 1.657 574 H SER 76 H SER 76 -5.663 7.955 0.734 575 HA SER 76 HA SER 76 -6.783 9.005 -1.598 576 1HB SER 76 2HB SER 76 -6.425 11.242 -0.383 577 2HB SER 76 1HB SER 76 -7.400 10.023 0.436 578 HG SER 76 HG SER 76 -6.031 10.488 1.996 579 H PHE 77 H PHE 77 -3.495 9.184 -0.363 580 HA PHE 77 HA PHE 77 -2.483 11.101 -2.141 581 1HB PHE 77 2HB PHE 77 -1.277 10.315 -0.127 582 2HB PHE 77 1HB PHE 77 -1.036 8.750 -0.892 583 HD1 PHE 77 HD1 PHE 77 0.820 8.369 -2.257 584 HD2 PHE 77 HD2 PHE 77 -0.264 12.355 -1.244 585 HE1 PHE 77 HE1 PHE 77 2.918 9.187 -3.248 586 HE2 PHE 77 HE2 PHE 77 1.830 13.182 -2.235 587 HZ PHE 77 HZ PHE 77 3.422 11.595 -3.241 588 H ALA 78 H ALA 78 -2.302 7.548 -2.312 589 HA ALA 78 HA ALA 78 -1.196 7.423 -4.900 590 1HB ALA 78 1HB ALA 78 -1.802 5.063 -4.855 591 2HB ALA 78 2HB ALA 78 -2.850 5.347 -3.465 592 3HB ALA 78 3HB ALA 78 -1.105 5.559 -3.312 593 H LYS 79 H LYS 79 -4.468 7.649 -3.737 594 HA LYS 79 HA LYS 79 -5.869 6.934 -6.045 595 1HB LYS 79 2HB LYS 79 -6.952 7.186 -3.878 596 2HB LYS 79 1HB LYS 79 -6.586 8.904 -3.863 597 1HG LYS 79 2HG LYS 79 -8.166 7.921 -6.153 598 2HG LYS 79 1HG LYS 79 -8.957 7.898 -4.577 599 1HD LYS 79 2HD LYS 79 -8.474 10.272 -4.287 600 2HD LYS 79 1HD LYS 79 -7.642 10.306 -5.844 601 1HE LYS 79 2HE LYS 79 -10.529 9.524 -5.499 602 2HE LYS 79 1HE LYS 79 -10.005 11.167 -5.866 603 1HZ LYS 79 1HZ LYS 79 -10.675 9.593 -7.768 604 2HZ LYS 79 2HZ LYS 79 -9.128 8.931 -7.567 605 3HZ LYS 79 3HZ LYS 79 -9.305 10.578 -7.954 606 H HIS 80 H HIS 80 -4.490 10.048 -5.056 607 HA HIS 80 HA HIS 80 -5.479 11.329 -7.460 608 1HB HIS 80 2HB HIS 80 -3.761 12.347 -5.199 609 2HB HIS 80 1HB HIS 80 -4.165 13.315 -6.611 610 HD1 HIS 80 HD1 HIS 80 -6.956 13.434 -7.007 611 HD2 HIS 80 HD2 HIS 80 -5.495 12.717 -3.168 612 HE1 HIS 80 HE1 HIS 80 -8.819 14.054 -5.436 613 HE2 HIS 80 HE2 HIS 80 -7.928 13.609 -3.120 614 H MET 81 H MET 81 -2.601 9.744 -6.399 615 HA MET 81 HA MET 81 -0.718 10.821 -8.172 616 1HB MET 81 2HB MET 81 -0.968 8.085 -6.932 617 2HB MET 81 1HB MET 81 0.395 8.537 -7.948 618 1HG MET 81 2HG MET 81 -0.400 10.053 -5.481 619 2HG MET 81 1HG MET 81 0.754 8.721 -5.474 620 1HE MET 81 1HE MET 81 2.337 9.054 -8.135 621 2HE MET 81 2HE MET 81 3.122 8.792 -6.578 622 3HE MET 81 3HE MET 81 3.674 10.090 -7.640 623 H LEU 82 H LEU 82 -2.686 7.869 -8.538 624 HA LEU 82 HA LEU 82 -1.925 7.445 -11.254 625 1HB LEU 82 2HB LEU 82 -4.307 6.393 -9.721 626 2HB LEU 82 1HB LEU 82 -3.725 5.767 -11.250 627 HG LEU 82 HG LEU 82 -2.154 5.715 -8.673 628 1HD1 LEU 82 1HD1 LEU 82 -2.633 3.303 -8.687 629 2HD1 LEU 82 2HD1 LEU 82 -3.714 3.539 -10.061 630 3HD1 LEU 82 3HD1 LEU 82 -4.094 4.273 -8.503 631 1HD2 LEU 82 1HD2 LEU 82 -0.709 4.157 -9.902 632 2HD2 LEU 82 2HD2 LEU 82 -0.740 5.758 -10.641 633 3HD2 LEU 82 3HD2 LEU 82 -1.662 4.437 -11.359 634 H GLU 83 H GLU 83 -4.155 9.452 -9.701 635 HA GLU 83 HA GLU 83 -6.128 9.642 -11.764 636 1HB GLU 83 2HB GLU 83 -6.705 9.976 -9.444 637 2HB GLU 83 1HB GLU 83 -5.538 11.278 -9.301 638 1HG GLU 83 2HG GLU 83 -6.902 12.549 -10.970 639 2HG GLU 83 1HG GLU 83 -8.125 11.281 -10.816 640 H LYS 84 H LYS 84 -3.150 11.276 -10.998 641 HA LYS 84 HA LYS 84 -3.778 13.475 -12.809 642 1HB LYS 84 2HB LYS 84 -1.479 12.975 -10.921 643 2HB LYS 84 1HB LYS 84 -1.506 14.327 -12.049 644 1HG LYS 84 2HG LYS 84 -3.629 13.811 -9.975 645 2HG LYS 84 1HG LYS 84 -2.260 14.903 -9.749 646 1HD LYS 84 2HD LYS 84 -3.007 16.328 -11.504 647 2HD LYS 84 1HD LYS 84 -4.216 15.153 -12.026 648 1HE LYS 84 2HE LYS 84 -4.249 16.450 -9.309 649 2HE LYS 84 1HE LYS 84 -5.077 17.128 -10.709 650 1HZ LYS 84 1HZ LYS 84 -6.580 15.793 -9.367 651 2HZ LYS 84 2HZ LYS 84 -5.581 14.441 -9.538 652 3HZ LYS 84 3HZ LYS 84 -6.364 15.083 -10.892 653 H GLU 85 H GLU 85 -2.710 10.436 -13.179 654 HA GLU 85 HA GLU 85 -1.124 11.173 -15.546 655 1HB GLU 85 2HB GLU 85 0.271 9.917 -14.029 656 2HB GLU 85 1HB GLU 85 -0.962 8.677 -13.846 657 1HG GLU 85 2HG GLU 85 0.892 7.985 -15.302 658 2HG GLU 85 1HG GLU 85 -0.665 7.973 -16.124 659 H ASP 86 H ASP 86 -2.430 11.132 -17.230 660 HA ASP 86 HA ASP 86 -4.866 9.685 -17.304 661 1HB ASP 86 2HB ASP 86 -4.498 11.801 -18.534 662 2HB ASP 86 1HB ASP 86 -3.367 10.966 -19.596 663 H SER 87 H SER 87 -1.621 8.934 -18.200 664 HA SER 87 HA SER 87 -2.218 6.844 -20.041 665 1HB SER 87 2HB SER 87 0.284 7.248 -18.383 666 2HB SER 87 1HB SER 87 0.135 6.250 -19.832 667 HG SER 87 HG SER 87 -0.665 8.898 -20.083 668 H TYR 88 H TYR 88 -2.472 7.057 -16.659 669 HA TYR 88 HA TYR 88 -2.459 4.134 -16.385 670 1HB TYR 88 2HB TYR 88 -2.450 6.312 -14.285 671 2HB TYR 88 1HB TYR 88 -2.620 4.600 -13.917 672 HD1 TYR 88 HD1 TYR 88 -0.453 6.502 -12.920 673 HD2 TYR 88 HD2 TYR 88 -0.589 3.814 -16.215 674 HE1 TYR 88 HE1 TYR 88 1.993 6.287 -12.836 675 HE2 TYR 88 HE2 TYR 88 1.860 3.590 -16.139 676 HH TYR 88 HH TYR 88 3.722 4.657 -13.522 677 H GLN 89 H GLN 89 -4.559 6.670 -16.947 678 HA GLN 89 HA GLN 89 -6.770 5.698 -15.366 679 1HB GLN 89 2HB GLN 89 -6.735 7.797 -17.542 680 2HB GLN 89 1HB GLN 89 -8.080 7.467 -16.457 681 1HG GLN 89 2HG GLN 89 -6.635 8.090 -14.551 682 2HG GLN 89 1HG GLN 89 -5.366 8.521 -15.697 683 1HE2 GLN 89 1HE2 GLN 89 -5.309 10.657 -15.147 684 2HE2 GLN 89 2HE2 GLN 89 -6.587 11.762 -15.505 685 H ASP 90 H ASP 90 -6.716 3.563 -16.183 686 HA ASP 90 HA ASP 90 -8.686 3.124 -18.203 687 1HB ASP 90 2HB ASP 90 -6.690 3.394 -19.641 688 2HB ASP 90 1HB ASP 90 -5.868 2.135 -18.730 689 H VAL 91 H VAL 91 -6.049 1.725 -16.304 690 HA VAL 91 HA VAL 91 -7.683 -0.617 -15.687 691 HB VAL 91 HB VAL 91 -5.655 -1.443 -14.493 692 1HG1 VAL 91 1HG1 VAL 91 -5.219 -0.608 -17.359 693 2HG1 VAL 91 2HG1 VAL 91 -6.062 -2.059 -16.816 694 3HG1 VAL 91 3HG1 VAL 91 -4.334 -1.877 -16.512 695 1HG2 VAL 91 1HG2 VAL 91 -3.524 -0.277 -14.819 696 2HG2 VAL 91 2HG2 VAL 91 -4.665 0.711 -13.905 697 3HG2 VAL 91 3HG2 VAL 91 -4.374 1.051 -15.611 698 H TYR 92 H TYR 92 -6.874 2.423 -14.395 699 HA TYR 92 HA TYR 92 -7.531 1.693 -11.659 700 1HB TYR 92 2HB TYR 92 -5.779 3.292 -11.787 701 2HB TYR 92 1HB TYR 92 -6.638 4.257 -12.984 702 HD1 TYR 92 HD1 TYR 92 -7.909 6.091 -12.312 703 HD2 TYR 92 HD2 TYR 92 -6.812 3.177 -9.411 704 HE1 TYR 92 HE1 TYR 92 -8.831 7.518 -10.537 705 HE2 TYR 92 HE2 TYR 92 -7.733 4.601 -7.626 706 HH TYR 92 HH TYR 92 -9.807 7.087 -8.162 707 H LEU 93 H LEU 93 -9.489 1.939 -10.767 708 HA LEU 93 HA LEU 93 -11.648 2.885 -12.459 709 1HB LEU 93 2HB LEU 93 -11.703 1.615 -9.722 710 2HB LEU 93 1HB LEU 93 -13.121 2.024 -10.666 711 HG LEU 93 HG LEU 93 -11.022 -0.011 -11.425 712 1HD1 LEU 93 1HD1 LEU 93 -12.822 -1.638 -11.083 713 2HD1 LEU 93 2HD1 LEU 93 -13.880 -0.345 -10.519 714 3HD1 LEU 93 3HD1 LEU 93 -12.435 -0.767 -9.598 715 1HD2 LEU 93 1HD2 LEU 93 -11.957 1.106 -13.389 716 2HD2 LEU 93 2HD2 LEU 93 -13.589 0.751 -12.821 717 3HD2 LEU 93 3HD2 LEU 93 -12.510 -0.566 -13.283 718 H GLY 94 H GLY 94 -11.316 5.077 -12.512 719 1HA GLY 94 2HA GLY 94 -11.254 6.567 -10.011 720 2HA GLY 94 1HA GLY 94 -11.059 7.233 -11.624 721 H LEU 95 H LEU 95 -13.473 5.788 -9.462 722 HA LEU 95 HA LEU 95 -15.295 7.915 -9.862 723 1HB LEU 95 2HB LEU 95 -15.545 6.672 -12.027 724 2HB LEU 95 1HB LEU 95 -16.089 5.281 -11.111 725 HG LEU 95 HG LEU 95 -17.999 6.644 -10.271 726 1HD1 LEU 95 1HD1 LEU 95 -18.535 8.736 -11.395 727 2HD1 LEU 95 2HD1 LEU 95 -17.024 8.649 -12.300 728 3HD1 LEU 95 3HD1 LEU 95 -16.994 8.851 -10.548 729 1HD2 LEU 95 1HD2 LEU 95 -17.775 6.436 -13.269 730 2HD2 LEU 95 2HD2 LEU 95 -19.271 6.568 -12.344 731 3HD2 LEU 95 3HD2 LEU 95 -18.255 5.136 -12.176 732 H GLU 96 H GLU 96 -17.275 7.605 -8.605 733 HA GLU 96 HA GLU 96 -16.957 5.909 -6.307 734 1HB GLU 96 2HB GLU 96 -19.319 7.567 -7.234 735 2HB GLU 96 1HB GLU 96 -19.212 6.760 -5.680 736 1HG GLU 96 2HG GLU 96 -18.729 9.052 -5.341 737 2HG GLU 96 1HG GLU 96 -17.220 8.161 -5.165 738 H HIS 97 H HIS 97 -18.941 4.476 -5.660 739 HA HIS 97 HA HIS 97 -19.452 2.726 -7.888 740 1HB HIS 97 2HB HIS 97 -20.540 1.219 -6.357 741 2HB HIS 97 1HB HIS 97 -19.036 1.770 -5.647 742 HD1 HIS 97 HD1 HIS 97 -19.338 3.631 -3.684 743 HD2 HIS 97 HD2 HIS 97 -22.731 1.501 -4.793 744 HE1 HIS 97 HE1 HIS 97 -20.947 3.880 -1.773 745 HE2 HIS 97 HE2 HIS 97 -22.925 2.445 -2.393 746 H HIS 98 H HIS 98 -20.496 4.094 -9.258 747 HA HIS 98 HA HIS 98 -23.075 5.219 -8.435 748 1HB HIS 98 2HB HIS 98 -21.079 6.438 -9.704 749 2HB HIS 98 1HB HIS 98 -21.862 5.732 -11.115 750 HD1 HIS 98 HD1 HIS 98 -21.725 8.784 -9.491 751 HD2 HIS 98 HD2 HIS 98 -24.906 6.436 -10.792 752 HE1 HIS 98 HE1 HIS 98 -23.681 10.349 -9.716 753 HE2 HIS 98 HE2 HIS 98 -25.614 8.899 -10.444 754 H HIS 99 H HIS 99 -21.967 2.440 -9.748 755 HA HIS 99 HA HIS 99 -24.058 2.144 -11.760 756 1HB HIS 99 2HB HIS 99 -21.822 0.312 -10.871 757 2HB HIS 99 1HB HIS 99 -23.045 -0.159 -12.044 758 HD1 HIS 99 HD1 HIS 99 -22.431 0.231 -14.399 759 HD2 HIS 99 HD2 HIS 99 -20.362 2.755 -11.817 760 HE1 HIS 99 HE1 HIS 99 -20.809 1.504 -15.841 761 HE2 HIS 99 HE2 HIS 99 -19.423 2.860 -14.229 762 H HIS 100 H HIS 100 -25.997 1.427 -11.252 763 HA HIS 100 HA HIS 100 -26.485 0.248 -8.639 764 1HB HIS 100 2HB HIS 100 -28.310 1.059 -10.910 765 2HB HIS 100 1HB HIS 100 -28.897 0.257 -9.460 766 HD1 HIS 100 HD1 HIS 100 -29.740 1.797 -7.739 767 HD2 HIS 100 HD2 HIS 100 -26.849 3.599 -10.135 768 HE1 HIS 100 HE1 HIS 100 -29.570 4.181 -6.934 769 HE2 HIS 100 HE2 HIS 100 -27.900 5.280 -8.471 770 H HIS 101 H HIS 101 -27.594 -0.622 -11.880 771 HA HIS 101 HA HIS 101 -26.630 -3.342 -11.556 772 1HB HIS 101 2HB HIS 101 -29.551 -2.668 -11.984 773 2HB HIS 101 1HB HIS 101 -28.867 -4.239 -12.379 774 HD1 HIS 101 HD1 HIS 101 -28.284 -5.809 -10.432 775 HD2 HIS 101 HD2 HIS 101 -29.873 -2.159 -9.228 776 HE1 HIS 101 HE1 HIS 101 -28.838 -6.079 -7.998 777 HE2 HIS 101 HE2 HIS 101 -29.559 -3.785 -7.241 778 H HIS 102 HN HIS 102 -28.143 -0.853 -13.491 779 HA HIS 102 HA HIS 102 -26.660 -1.845 -15.822 780 1HB HIS 102 2HB HIS 102 -29.400 -0.546 -15.831 781 2HB HIS 102 1HB HIS 102 -28.458 -0.922 -17.269 782 HD1 HIS 102 HD1 HIS 102 -31.178 -2.188 -15.461 783 HD2 HIS 102 HD2 HIS 102 -27.809 -3.919 -17.180 784 HE1 HIS 102 HE1 HIS 102 -31.735 -4.622 -15.741 785 HE2 HIS 102 HE2 HIS 102 -29.607 -5.682 -16.581 Start of MODEL 6 1 1H MET 1 1H MET 1 23.798 0.836 -5.114 2 2H MET 1 2H MET 1 23.611 0.327 -6.720 3 3H MET 1 3H MET 1 22.247 0.735 -5.793 4 HA MET 1 HA MET 1 24.392 2.647 -6.494 5 1HB MET 1 2HB MET 1 23.004 1.717 -8.443 6 2HB MET 1 1HB MET 1 21.625 2.516 -7.702 7 1HG MET 1 2HG MET 1 22.507 3.897 -9.450 8 2HG MET 1 1HG MET 1 22.808 4.668 -7.894 9 1HE MET 1 1HE MET 1 24.517 6.273 -9.231 10 2HE MET 1 2HE MET 1 24.270 5.376 -10.730 11 3HE MET 1 3HE MET 1 25.904 5.667 -10.137 12 H SER 2 H SER 2 24.198 3.024 -4.157 13 HA SER 2 HA SER 2 23.506 4.166 -2.339 14 1HB SER 2 2HB SER 2 21.573 5.588 -4.183 15 2HB SER 2 1HB SER 2 22.103 6.130 -2.592 16 HG SER 2 HG SER 2 23.666 7.086 -3.606 17 H ASN 3 H ASN 3 20.345 4.241 -3.938 18 HA ASN 3 HA ASN 3 19.322 2.024 -2.429 19 1HB ASN 3 2HB ASN 3 17.583 3.400 -1.240 20 2HB ASN 3 1HB ASN 3 19.220 3.613 -0.634 21 1HD2 ASN 3 1HD2 ASN 3 20.158 5.573 -0.721 22 2HD2 ASN 3 2HD2 ASN 3 19.362 7.008 -1.288 23 H LEU 4 H LEU 4 19.514 2.998 -5.205 24 HA LEU 4 HA LEU 4 16.815 3.809 -5.911 25 1HB LEU 4 2HB LEU 4 19.248 3.291 -7.621 26 2HB LEU 4 1HB LEU 4 17.711 3.880 -8.224 27 HG LEU 4 HG LEU 4 19.512 5.331 -6.284 28 1HD1 LEU 4 1HD1 LEU 4 19.886 6.870 -8.133 29 2HD1 LEU 4 2HD1 LEU 4 18.875 5.872 -9.179 30 3HD1 LEU 4 3HD1 LEU 4 20.398 5.237 -8.560 31 1HD2 LEU 4 1HD2 LEU 4 17.153 5.806 -5.880 32 2HD2 LEU 4 2HD2 LEU 4 16.932 6.190 -7.587 33 3HD2 LEU 4 3HD2 LEU 4 17.971 7.200 -6.583 34 H GLU 5 H GLU 5 18.267 0.945 -5.247 35 HA GLU 5 HA GLU 5 17.166 -0.650 -7.369 36 1HB GLU 5 2HB GLU 5 18.121 -1.653 -4.687 37 2HB GLU 5 1HB GLU 5 17.979 -2.562 -6.182 38 1HG GLU 5 2HG GLU 5 20.246 -2.211 -6.013 39 2HG GLU 5 1HG GLU 5 19.737 -0.910 -7.091 40 H ILE 6 H ILE 6 15.047 -0.941 -7.539 41 HA ILE 6 HA ILE 6 13.162 -0.578 -5.497 42 HB ILE 6 HB ILE 6 12.853 -2.276 -7.985 43 1HG1 ILE 6 2HG1 ILE 6 12.202 0.645 -7.529 44 2HG1 ILE 6 1HG1 ILE 6 13.561 0.049 -8.472 45 1HG2 ILE 6 1HG2 ILE 6 10.791 -0.986 -6.196 46 2HG2 ILE 6 2HG2 ILE 6 11.114 -2.715 -6.341 47 3HG2 ILE 6 3HG2 ILE 6 10.450 -1.822 -7.711 48 1HD1 ILE 6 1HD1 ILE 6 10.653 -0.402 -9.110 49 2HD1 ILE 6 2HD1 ILE 6 12.029 -0.948 -10.071 50 3HD1 ILE 6 3HD1 ILE 6 11.713 0.777 -9.883 51 H LYS 7 H LYS 7 12.984 -1.743 -3.706 52 HA LYS 7 HA LYS 7 13.734 -4.559 -3.760 53 1HB LYS 7 2HB LYS 7 13.303 -2.587 -1.532 54 2HB LYS 7 1HB LYS 7 13.393 -4.315 -1.221 55 1HG LYS 7 2HG LYS 7 15.535 -2.706 -2.591 56 2HG LYS 7 1HG LYS 7 15.538 -3.155 -0.883 57 1HD LYS 7 2HD LYS 7 15.562 -5.506 -1.468 58 2HD LYS 7 1HD LYS 7 15.440 -5.106 -3.182 59 1HE LYS 7 2HE LYS 7 17.735 -4.354 -1.370 60 2HE LYS 7 1HE LYS 7 17.733 -5.703 -2.507 61 1HZ LYS 7 1HZ LYS 7 17.562 -2.815 -3.163 62 2HZ LYS 7 2HZ LYS 7 17.332 -4.054 -4.297 63 3HZ LYS 7 3HZ LYS 7 18.833 -3.877 -3.523 64 H GLN 8 H GLN 8 12.407 -6.200 -3.194 65 HA GLN 8 HA GLN 8 9.556 -5.579 -3.456 66 1HB GLN 8 2HB GLN 8 9.304 -7.933 -4.182 67 2HB GLN 8 1HB GLN 8 10.386 -7.013 -5.216 68 1HG GLN 8 2HG GLN 8 11.394 -8.776 -3.005 69 2HG GLN 8 1HG GLN 8 11.063 -9.389 -4.620 70 1HE2 GLN 8 1HE2 GLN 8 12.374 -8.744 -6.334 71 2HE2 GLN 8 2HE2 GLN 8 13.927 -8.034 -6.078 72 H GLY 9 H GLY 9 8.055 -6.352 -2.055 73 1HA GLY 9 2HA GLY 9 8.926 -8.077 0.151 74 2HA GLY 9 1HA GLY 9 8.182 -6.530 0.538 75 H GLU 10 H GLU 10 6.630 -8.027 1.649 76 HA GLU 10 HA GLU 10 4.969 -9.772 0.153 77 1HB GLU 10 2HB GLU 10 4.410 -8.422 2.800 78 2HB GLU 10 1HB GLU 10 3.522 -9.788 2.137 79 1HG GLU 10 2HG GLU 10 5.513 -11.170 2.277 80 2HG GLU 10 1HG GLU 10 6.434 -9.796 2.891 81 H ASN 11 H ASN 11 3.987 -8.862 -1.581 82 HA ASN 11 HA ASN 11 2.492 -7.669 -2.809 83 1HB ASN 11 2HB ASN 11 1.236 -7.624 -0.087 84 2HB ASN 11 1HB ASN 11 0.505 -6.708 -1.401 85 1HD2 ASN 11 1HD2 ASN 11 -0.424 -7.791 -3.123 86 2HD2 ASN 11 2HD2 ASN 11 -0.789 -9.484 -3.052 87 H LYS 12 H LYS 12 4.829 -6.299 -1.695 88 HA LYS 12 HA LYS 12 3.902 -3.568 -2.041 89 1HB LYS 12 2HB LYS 12 4.986 -2.765 0.007 90 2HB LYS 12 1HB LYS 12 3.707 -3.916 0.372 91 1HG LYS 12 2HG LYS 12 5.496 -5.676 0.551 92 2HG LYS 12 1HG LYS 12 6.672 -4.365 0.467 93 1HD LYS 12 2HD LYS 12 4.478 -4.588 2.521 94 2HD LYS 12 1HD LYS 12 6.154 -5.063 2.782 95 1HE LYS 12 2HE LYS 12 5.237 -2.286 2.054 96 2HE LYS 12 1HE LYS 12 5.618 -2.826 3.687 97 1HZ LYS 12 1HZ LYS 12 7.510 -1.714 2.826 98 2HZ LYS 12 2HZ LYS 12 7.485 -2.616 1.395 99 3HZ LYS 12 3HZ LYS 12 7.888 -3.367 2.859 100 H PHE 13 H PHE 13 5.461 -2.166 -2.751 101 HA PHE 13 HA PHE 13 8.184 -3.247 -3.084 102 1HB PHE 13 2HB PHE 13 6.669 -1.317 -4.864 103 2HB PHE 13 1HB PHE 13 8.388 -1.661 -5.021 104 HD1 PHE 13 HD1 PHE 13 9.016 -4.172 -5.322 105 HD2 PHE 13 HD2 PHE 13 5.152 -2.554 -6.082 106 HE1 PHE 13 HE1 PHE 13 8.508 -6.087 -6.780 107 HE2 PHE 13 HE2 PHE 13 4.637 -4.470 -7.542 108 HZ PHE 13 HZ PHE 13 6.314 -6.240 -7.892 109 H TYR 14 H TYR 14 9.856 -1.960 -2.362 110 HA TYR 14 HA TYR 14 9.145 0.695 -1.373 111 1HB TYR 14 2HB TYR 14 10.289 0.265 0.783 112 2HB TYR 14 1HB TYR 14 8.837 -0.701 0.567 113 HD1 TYR 14 HD1 TYR 14 12.383 -0.745 1.173 114 HD2 TYR 14 HD2 TYR 14 9.085 -3.145 -0.044 115 HE1 TYR 14 HE1 TYR 14 13.670 -2.772 1.698 116 HE2 TYR 14 HE2 TYR 14 10.366 -5.177 0.477 117 HH TYR 14 HH TYR 14 13.242 -5.126 2.262 118 H ILE 15 H ILE 15 10.666 2.177 -1.536 119 HA ILE 15 HA ILE 15 13.365 1.320 -2.349 120 HB ILE 15 HB ILE 15 11.754 3.704 -3.267 121 1HG1 ILE 15 2HG1 ILE 15 13.056 1.413 -4.749 122 2HG1 ILE 15 1HG1 ILE 15 11.331 1.622 -4.473 123 1HG2 ILE 15 1HG2 ILE 15 14.014 4.465 -2.791 124 2HG2 ILE 15 2HG2 ILE 15 13.718 4.431 -4.529 125 3HG2 ILE 15 3HG2 ILE 15 14.675 3.156 -3.772 126 1HD1 ILE 15 1HD1 ILE 15 13.078 3.456 -6.096 127 2HD1 ILE 15 2HD1 ILE 15 11.341 3.617 -5.852 128 3HD1 ILE 15 3HD1 ILE 15 11.979 2.240 -6.741 129 H GLY 16 H GLY 16 15.065 2.246 -1.297 130 1HA GLY 16 2HA GLY 16 15.517 4.454 0.035 131 2HA GLY 16 1HA GLY 16 14.358 3.713 1.128 132 H ASP 17 H ASP 17 15.893 3.590 2.779 133 HA ASP 17 HA ASP 17 18.459 2.432 2.413 134 1HB ASP 17 2HB ASP 17 18.046 4.054 4.177 135 2HB ASP 17 1HB ASP 17 16.863 2.984 4.921 136 H ASP 18 H ASP 18 15.488 1.245 3.954 137 HA ASP 18 HA ASP 18 16.113 -1.497 3.355 138 1HB ASP 18 2HB ASP 18 17.556 -0.997 5.360 139 2HB ASP 18 1HB ASP 18 16.093 -0.630 6.265 140 H GLU 19 H GLU 19 14.373 -2.884 4.772 141 HA GLU 19 HA GLU 19 11.797 -1.805 4.199 142 1HB GLU 19 2HB GLU 19 12.297 -4.239 4.167 143 2HB GLU 19 1HB GLU 19 12.561 -4.192 5.903 144 1HG GLU 19 2HG GLU 19 10.396 -5.080 5.514 145 2HG GLU 19 1HG GLU 19 10.203 -3.461 6.180 146 H ASN 20 H ASN 20 13.917 -1.948 6.956 147 HA ASN 20 HA ASN 20 12.024 -0.993 8.880 148 1HB ASN 20 2HB ASN 20 14.080 -2.221 9.517 149 2HB ASN 20 1HB ASN 20 15.050 -0.881 8.918 150 1HD2 ASN 20 1HD2 ASN 20 16.001 -0.508 10.901 151 2HD2 ASN 20 2HD2 ASN 20 15.131 0.177 12.240 152 H ASN 21 H ASN 21 14.219 0.468 6.590 153 HA ASN 21 HA ASN 21 13.337 3.125 7.495 154 1HB ASN 21 2HB ASN 21 16.048 2.443 6.336 155 2HB ASN 21 1HB ASN 21 15.499 4.050 6.792 156 1HD2 ASN 21 1HD2 ASN 21 16.825 1.099 7.844 157 2HD2 ASN 21 2HD2 ASN 21 17.006 1.505 9.512 158 H ALA 22 H ALA 22 11.756 1.999 5.771 159 HA ALA 22 HA ALA 22 12.465 2.362 3.044 160 1HB ALA 22 1HB ALA 22 9.729 2.198 4.303 161 2HB ALA 22 2HB ALA 22 10.678 0.834 3.711 162 3HB ALA 22 3HB ALA 22 10.086 2.052 2.580 163 H LEU 23 H LEU 23 12.486 4.153 1.853 164 HA LEU 23 HA LEU 23 11.642 6.648 3.100 165 1HB LEU 23 2HB LEU 23 13.118 6.153 0.510 166 2HB LEU 23 1HB LEU 23 12.803 7.727 1.215 167 HG LEU 23 HG LEU 23 14.527 5.573 2.447 168 1HD1 LEU 23 1HD1 LEU 23 16.387 7.047 1.931 169 2HD1 LEU 23 2HD1 LEU 23 15.290 8.187 1.150 170 3HD1 LEU 23 3HD1 LEU 23 15.532 6.581 0.461 171 1HD2 LEU 23 1HD2 LEU 23 15.135 7.279 4.075 172 2HD2 LEU 23 2HD2 LEU 23 13.400 6.962 4.119 173 3HD2 LEU 23 3HD2 LEU 23 14.010 8.414 3.326 174 H ALA 24 H ALA 24 10.626 4.369 0.796 175 HA ALA 24 HA ALA 24 8.143 5.746 0.394 176 1HB ALA 24 1HB ALA 24 9.938 5.279 -1.988 177 2HB ALA 24 2HB ALA 24 9.500 6.850 -1.316 178 3HB ALA 24 3HB ALA 24 8.262 5.827 -2.050 179 H GLU 25 H GLU 25 6.866 4.056 0.912 180 HA GLU 25 HA GLU 25 7.324 1.585 -0.630 181 1HB GLU 25 2HB GLU 25 6.718 0.193 1.191 182 2HB GLU 25 1HB GLU 25 7.896 1.335 1.813 183 1HG GLU 25 2HG GLU 25 4.927 1.663 2.155 184 2HG GLU 25 1HG GLU 25 5.958 0.831 3.314 185 H ILE 26 H ILE 26 5.606 0.628 -1.555 186 HA ILE 26 HA ILE 26 2.950 1.780 -1.044 187 HB ILE 26 HB ILE 26 3.779 2.757 -3.120 188 1HG1 ILE 26 2HG1 ILE 26 1.688 0.638 -3.669 189 2HG1 ILE 26 1HG1 ILE 26 1.377 2.201 -2.919 190 1HG2 ILE 26 1HG2 ILE 26 4.082 -0.077 -4.103 191 2HG2 ILE 26 2HG2 ILE 26 5.395 1.044 -3.735 192 3HG2 ILE 26 3HG2 ILE 26 4.296 1.381 -5.072 193 1HD1 ILE 26 1HD1 ILE 26 2.412 1.764 -5.711 194 2HD1 ILE 26 2HD1 ILE 26 2.082 3.326 -4.963 195 3HD1 ILE 26 3HD1 ILE 26 0.762 2.199 -5.270 196 H THR 27 H THR 27 1.342 0.303 -0.824 197 HA THR 27 HA THR 27 2.102 -2.510 -1.233 198 HB THR 27 HB THR 27 0.486 -3.105 0.495 199 HG1 THR 27 HG1 THR 27 -1.049 -1.714 0.878 200 1HG2 THR 27 1HG2 THR 27 1.599 -2.106 2.448 201 2HG2 THR 27 2HG2 THR 27 2.352 -0.908 1.396 202 3HG2 THR 27 3HG2 THR 27 2.761 -2.612 1.225 203 H TYR 28 H TYR 28 0.823 -3.818 -2.431 204 HA TYR 28 HA TYR 28 -1.818 -2.829 -3.198 205 1HB TYR 28 2HB TYR 28 -1.556 -3.510 -5.504 206 2HB TYR 28 1HB TYR 28 -0.272 -2.386 -5.088 207 HD1 TYR 28 HD1 TYR 28 2.022 -3.484 -4.422 208 HD2 TYR 28 HD2 TYR 28 -1.050 -5.483 -6.587 209 HE1 TYR 28 HE1 TYR 28 3.677 -5.080 -5.294 210 HE2 TYR 28 HE2 TYR 28 0.595 -7.084 -7.459 211 HH TYR 28 HH TYR 28 3.745 -7.354 -6.215 212 H ARG 29 H ARG 29 -3.094 -4.162 -2.169 213 HA ARG 29 HA ARG 29 -2.430 -7.030 -2.184 214 1HB ARG 29 2HB ARG 29 -3.902 -5.410 -0.103 215 2HB ARG 29 1HB ARG 29 -3.741 -7.161 -0.068 216 1HG ARG 29 2HG ARG 29 -1.345 -6.984 0.131 217 2HG ARG 29 1HG ARG 29 -1.430 -5.230 -0.033 218 1HD ARG 29 2HD ARG 29 -2.719 -5.105 2.042 219 2HD ARG 29 1HD ARG 29 -2.632 -6.859 2.198 220 HE ARG 29 HE ARG 29 -0.243 -6.646 2.522 221 1HH1 ARG 29 2HH1 ARG 29 -2.058 -3.664 2.620 222 2HH1 ARG 29 1HH1 ARG 29 -0.922 -2.850 3.659 223 1HH2 ARG 29 1HH2 ARG 29 1.301 -5.568 3.831 224 2HH2 ARG 29 2HH2 ARG 29 0.999 -3.925 4.335 225 H PHE 30 H PHE 30 -4.320 -8.485 -2.065 226 HA PHE 30 HA PHE 30 -6.090 -7.670 -4.201 227 1HB PHE 30 2HB PHE 30 -5.741 -10.318 -2.787 228 2HB PHE 30 1HB PHE 30 -6.817 -10.052 -4.153 229 HD1 PHE 30 HD1 PHE 30 -5.981 -9.889 -6.377 230 HD2 PHE 30 HD2 PHE 30 -3.308 -10.231 -3.083 231 HE1 PHE 30 HE1 PHE 30 -4.138 -10.377 -7.929 232 HE2 PHE 30 HE2 PHE 30 -1.458 -10.717 -4.632 233 HZ PHE 30 HZ PHE 30 -1.872 -10.788 -7.057 234 H VAL 31 H VAL 31 -8.092 -6.954 -3.943 235 HA VAL 31 HA VAL 31 -9.540 -7.584 -1.461 236 HB VAL 31 HB VAL 31 -11.251 -5.952 -2.318 237 1HG1 VAL 31 1HG1 VAL 31 -9.927 -3.958 -1.759 238 2HG1 VAL 31 2HG1 VAL 31 -8.451 -4.911 -1.909 239 3HG1 VAL 31 3HG1 VAL 31 -9.625 -5.291 -0.647 240 1HG2 VAL 31 1HG2 VAL 31 -10.583 -4.390 -4.086 241 2HG2 VAL 31 2HG2 VAL 31 -10.699 -6.044 -4.691 242 3HG2 VAL 31 3HG2 VAL 31 -9.119 -5.334 -4.361 243 H ASP 32 H ASP 32 -9.134 -8.458 -4.648 244 HA ASP 32 HA ASP 32 -11.167 -10.493 -4.464 245 1HB ASP 32 2HB ASP 32 -12.350 -8.500 -5.472 246 2HB ASP 32 1HB ASP 32 -11.208 -8.568 -6.808 247 H ASN 33 H ASN 33 -10.990 -11.767 -6.744 248 HA ASN 33 HA ASN 33 -8.315 -12.717 -6.780 249 1HB ASN 33 2HB ASN 33 -10.708 -13.311 -8.513 250 2HB ASN 33 1HB ASN 33 -9.149 -14.093 -8.749 251 1HD2 ASN 33 1HD2 ASN 33 -11.809 -15.112 -7.937 252 2HD2 ASN 33 2HD2 ASN 33 -11.520 -15.986 -6.468 253 H ASN 34 H ASN 34 -10.098 -10.484 -8.818 254 HA ASN 34 HA ASN 34 -7.625 -10.104 -10.381 255 1HB ASN 34 2HB ASN 34 -8.967 -9.591 -12.354 256 2HB ASN 34 1HB ASN 34 -9.358 -11.197 -11.747 257 1HD2 ASN 34 1HD2 ASN 34 -10.464 -7.935 -12.138 258 2HD2 ASN 34 2HD2 ASN 34 -12.136 -8.244 -11.800 259 H GLU 35 H GLU 35 -9.047 -8.729 -7.988 260 HA GLU 35 HA GLU 35 -8.664 -6.022 -9.061 261 1HB GLU 35 2HB GLU 35 -10.832 -6.871 -7.130 262 2HB GLU 35 1HB GLU 35 -10.459 -5.205 -7.549 263 1HG GLU 35 2HG GLU 35 -11.014 -5.692 -9.893 264 2HG GLU 35 1HG GLU 35 -11.447 -7.335 -9.431 265 H ILE 36 H ILE 36 -7.336 -4.763 -7.912 266 HA ILE 36 HA ILE 36 -6.497 -5.738 -5.260 267 HB ILE 36 HB ILE 36 -4.225 -4.849 -5.750 268 1HG1 ILE 36 2HG1 ILE 36 -5.228 -4.673 -8.599 269 2HG1 ILE 36 1HG1 ILE 36 -4.919 -3.287 -7.561 270 1HG2 ILE 36 1HG2 ILE 36 -3.535 -6.711 -7.213 271 2HG2 ILE 36 2HG2 ILE 36 -5.232 -7.010 -7.593 272 3HG2 ILE 36 3HG2 ILE 36 -4.648 -7.217 -5.941 273 1HD1 ILE 36 1HD1 ILE 36 -2.892 -5.278 -8.550 274 2HD1 ILE 36 2HD1 ILE 36 -2.552 -3.957 -7.434 275 3HD1 ILE 36 3HD1 ILE 36 -3.082 -3.606 -9.079 276 H ASN 37 H ASN 37 -5.774 -4.154 -3.786 277 HA ASN 37 HA ASN 37 -6.546 -1.409 -4.479 278 1HB ASN 37 2HB ASN 37 -7.636 -1.025 -2.441 279 2HB ASN 37 1HB ASN 37 -8.207 -2.611 -2.930 280 1HD2 ASN 37 1HD2 ASN 37 -5.959 -4.145 -2.099 281 2HD2 ASN 37 2HD2 ASN 37 -5.901 -4.093 -0.374 282 H ILE 38 H ILE 38 -5.362 0.233 -3.510 283 HA ILE 38 HA ILE 38 -2.745 -0.632 -2.522 284 HB ILE 38 HB ILE 38 -3.650 2.004 -3.692 285 1HG1 ILE 38 2HG1 ILE 38 -1.719 1.484 -5.276 286 2HG1 ILE 38 1HG1 ILE 38 -1.701 -0.130 -4.579 287 1HG2 ILE 38 1HG2 ILE 38 -1.370 2.815 -3.356 288 2HG2 ILE 38 2HG2 ILE 38 -0.973 1.330 -2.491 289 3HG2 ILE 38 3HG2 ILE 38 -2.161 2.448 -1.821 290 1HD1 ILE 38 1HD1 ILE 38 -2.914 -0.068 -6.680 291 2HD1 ILE 38 2HD1 ILE 38 -4.019 1.137 -6.016 292 3HD1 ILE 38 3HD1 ILE 38 -3.978 -0.492 -5.340 293 H ASP 39 H ASP 39 -2.606 -0.754 -0.404 294 HA ASP 39 HA ASP 39 -4.424 0.624 1.339 295 1HB ASP 39 2HB ASP 39 -1.932 -0.914 2.098 296 2HB ASP 39 1HB ASP 39 -3.267 -0.481 3.157 297 H HIS 40 H HIS 40 -0.878 0.558 1.198 298 HA HIS 40 HA HIS 40 -0.850 3.272 2.353 299 1HB HIS 40 2HB HIS 40 -0.036 1.457 3.862 300 2HB HIS 40 1HB HIS 40 1.205 1.068 2.679 301 HD1 HIS 40 HD1 HIS 40 0.630 3.026 5.644 302 HD2 HIS 40 HD2 HIS 40 3.066 3.367 2.289 303 HE1 HIS 40 HE1 HIS 40 2.428 4.669 6.271 304 HE2 HIS 40 HE2 HIS 40 3.965 4.765 4.275 305 H THR 41 H THR 41 0.311 4.803 1.332 306 HA THR 41 HA THR 41 2.383 3.997 -0.573 307 HB THR 41 HB THR 41 0.400 6.185 -1.232 308 HG1 THR 41 HG1 THR 41 0.267 3.451 -1.596 309 1HG2 THR 41 1HG2 THR 41 1.394 6.028 -3.471 310 2HG2 THR 41 2HG2 THR 41 2.491 4.773 -2.899 311 3HG2 THR 41 3HG2 THR 41 2.618 6.411 -2.260 312 H GLY 42 H GLY 42 3.914 4.626 0.933 313 1HA GLY 42 2HA GLY 42 3.787 7.423 1.856 314 2HA GLY 42 1HA GLY 42 4.672 6.129 2.655 315 H VAL 43 H VAL 43 4.542 7.982 -0.342 316 HA VAL 43 HA VAL 43 7.387 7.485 -0.769 317 HB VAL 43 HB VAL 43 5.418 8.969 -2.518 318 1HG1 VAL 43 1HG1 VAL 43 7.680 9.721 -2.909 319 2HG1 VAL 43 2HG1 VAL 43 7.152 8.713 -4.259 320 3HG1 VAL 43 3HG1 VAL 43 8.244 8.057 -3.040 321 1HG2 VAL 43 1HG2 VAL 43 5.476 6.970 -3.938 322 2HG2 VAL 43 2HG2 VAL 43 4.840 6.611 -2.332 323 3HG2 VAL 43 3HG2 VAL 43 6.494 6.160 -2.746 324 H SER 44 H SER 44 8.564 8.741 0.546 325 HA SER 44 HA SER 44 7.811 11.299 1.444 326 1HB SER 44 2HB SER 44 10.637 10.259 1.247 327 2HB SER 44 1HB SER 44 10.013 11.459 2.373 328 HG SER 44 HG SER 44 9.522 8.671 2.315 329 H ASP 45 H ASP 45 7.941 13.214 0.542 330 HA ASP 45 HA ASP 45 8.989 13.437 -2.160 331 1HB ASP 45 2HB ASP 45 7.789 15.522 -2.287 332 2HB ASP 45 1HB ASP 45 6.725 14.320 -1.570 333 H GLU 46 H GLU 46 10.106 13.818 0.902 334 HA GLU 46 HA GLU 46 11.731 16.116 0.759 335 1HB GLU 46 2HB GLU 46 11.096 14.527 2.742 336 2HB GLU 46 1HB GLU 46 12.523 13.635 2.253 337 1HG GLU 46 2HG GLU 46 12.626 16.563 2.874 338 2HG GLU 46 1HG GLU 46 12.747 15.340 4.132 339 H LEU 47 H LEU 47 11.908 13.105 -0.827 340 HA LEU 47 HA LEU 47 14.718 12.912 -1.188 341 1HB LEU 47 2HB LEU 47 12.468 11.759 -2.837 342 2HB LEU 47 1HB LEU 47 14.157 11.306 -2.975 343 HG LEU 47 HG LEU 47 12.406 10.880 -0.552 344 1HD1 LEU 47 1HD1 LEU 47 11.842 9.387 -2.376 345 2HD1 LEU 47 2HD1 LEU 47 12.667 8.502 -1.094 346 3HD1 LEU 47 3HD1 LEU 47 13.538 8.943 -2.563 347 1HD2 LEU 47 1HD2 LEU 47 14.315 9.610 0.331 348 2HD2 LEU 47 2HD2 LEU 47 14.705 11.315 0.102 349 3HD2 LEU 47 3HD2 LEU 47 15.282 10.115 -1.057 350 H GLY 48 H GLY 48 12.448 15.052 -2.459 351 1HA GLY 48 2HA GLY 48 13.180 16.968 -3.646 352 2HA GLY 48 1HA GLY 48 14.492 16.017 -4.321 353 H GLY 49 H GLY 49 14.271 15.933 -6.438 354 1HA GLY 49 2HA GLY 49 11.580 15.894 -7.599 355 2HA GLY 49 1HA GLY 49 13.065 16.299 -8.448 356 H GLN 50 H GLN 50 12.899 13.510 -6.385 357 HA GLN 50 HA GLN 50 13.364 11.801 -8.687 358 1HB GLN 50 2HB GLN 50 13.339 11.154 -5.731 359 2HB GLN 50 1HB GLN 50 13.790 10.036 -7.010 360 1HG GLN 50 2HG GLN 50 15.648 11.531 -7.622 361 2HG GLN 50 1HG GLN 50 15.215 12.579 -6.275 362 1HE2 GLN 50 1HE2 GLN 50 15.025 9.093 -6.141 363 2HE2 GLN 50 2HE2 GLN 50 16.316 8.876 -5.013 364 H GLY 51 H GLY 51 11.754 10.823 -9.705 365 1HA GLY 51 2HA GLY 51 9.084 10.895 -8.593 366 2HA GLY 51 1HA GLY 51 9.540 10.299 -10.180 367 H VAL 52 H VAL 52 10.360 9.404 -6.843 368 HA VAL 52 HA VAL 52 10.667 6.667 -7.353 369 HB VAL 52 HB VAL 52 9.917 7.984 -4.733 370 1HG1 VAL 52 1HG1 VAL 52 9.624 5.554 -4.715 371 2HG1 VAL 52 2HG1 VAL 52 10.968 6.054 -3.686 372 3HG1 VAL 52 3HG1 VAL 52 11.282 5.354 -5.272 373 1HG2 VAL 52 1HG2 VAL 52 11.907 8.997 -5.717 374 2HG2 VAL 52 2HG2 VAL 52 12.637 7.402 -5.899 375 3HG2 VAL 52 3HG2 VAL 52 12.319 8.045 -4.290 376 H GLY 53 H GLY 53 7.877 8.515 -6.216 377 1HA GLY 53 2HA GLY 53 6.166 6.373 -5.643 378 2HA GLY 53 1HA GLY 53 5.648 7.995 -6.074 379 H LYS 54 H LYS 54 6.632 8.162 -8.668 380 HA LYS 54 HA LYS 54 4.583 6.835 -10.083 381 1HB LYS 54 2HB LYS 54 5.263 8.888 -10.988 382 2HB LYS 54 1HB LYS 54 6.965 8.455 -10.936 383 1HG LYS 54 2HG LYS 54 6.775 7.039 -12.800 384 2HG LYS 54 1HG LYS 54 5.014 7.014 -12.704 385 1HD LYS 54 2HD LYS 54 6.579 9.519 -13.262 386 2HD LYS 54 1HD LYS 54 6.029 8.434 -14.538 387 1HE LYS 54 2HE LYS 54 3.702 8.701 -13.599 388 2HE LYS 54 1HE LYS 54 4.350 9.983 -12.578 389 1HZ LYS 54 1HZ LYS 54 4.609 9.994 -15.524 390 2HZ LYS 54 2HZ LYS 54 4.878 11.284 -14.456 391 3HZ LYS 54 3HZ LYS 54 3.302 10.707 -14.721 392 H LYS 55 H LYS 55 8.029 6.184 -9.703 393 HA LYS 55 HA LYS 55 8.162 4.142 -11.658 394 1HB LYS 55 2HB LYS 55 9.915 4.645 -9.245 395 2HB LYS 55 1HB LYS 55 10.294 3.523 -10.548 396 1HG LYS 55 2HG LYS 55 10.296 5.374 -12.146 397 2HG LYS 55 1HG LYS 55 9.923 6.498 -10.839 398 1HD LYS 55 2HD LYS 55 12.036 5.935 -9.747 399 2HD LYS 55 1HD LYS 55 12.402 4.787 -11.039 400 1HE LYS 55 2HE LYS 55 12.349 6.632 -12.666 401 2HE LYS 55 1HE LYS 55 12.040 7.767 -11.353 402 1HZ LYS 55 1HZ LYS 55 14.172 7.263 -10.408 403 2HZ LYS 55 2HZ LYS 55 14.390 7.669 -12.040 404 3HZ LYS 55 3HZ LYS 55 14.453 6.045 -11.557 405 H LEU 56 H LEU 56 7.627 4.069 -8.158 406 HA LEU 56 HA LEU 56 7.478 1.258 -7.915 407 1HB LEU 56 2HB LEU 56 6.281 3.470 -6.253 408 2HB LEU 56 1HB LEU 56 6.186 1.776 -5.813 409 HG LEU 56 HG LEU 56 8.742 3.346 -6.135 410 1HD1 LEU 56 1HD1 LEU 56 7.505 4.084 -4.193 411 2HD1 LEU 56 2HD1 LEU 56 8.900 3.129 -3.693 412 3HD1 LEU 56 3HD1 LEU 56 7.287 2.418 -3.666 413 1HD2 LEU 56 1HD2 LEU 56 9.810 1.386 -5.170 414 2HD2 LEU 56 2HD2 LEU 56 8.985 0.973 -6.673 415 3HD2 LEU 56 3HD2 LEU 56 8.260 0.549 -5.120 416 H LEU 57 H LEU 57 4.991 3.741 -8.387 417 HA LEU 57 HA LEU 57 2.793 1.970 -8.353 418 1HB LEU 57 2HB LEU 57 2.610 4.401 -8.019 419 2HB LEU 57 1HB LEU 57 3.050 4.662 -9.695 420 HG LEU 57 HG LEU 57 0.989 3.504 -10.410 421 1HD1 LEU 57 1HD1 LEU 57 0.375 3.407 -7.458 422 2HD1 LEU 57 2HD1 LEU 57 0.700 2.022 -8.501 423 3HD1 LEU 57 3HD1 LEU 57 -0.745 2.998 -8.759 424 1HD2 LEU 57 1HD2 LEU 57 0.589 5.774 -8.470 425 2HD2 LEU 57 2HD2 LEU 57 -0.582 5.252 -9.683 426 3HD2 LEU 57 3HD2 LEU 57 0.976 5.913 -10.185 427 H LYS 58 H LYS 58 4.914 3.086 -10.919 428 HA LYS 58 HA LYS 58 3.498 2.242 -13.151 429 1HB LYS 58 2HB LYS 58 5.596 3.574 -13.204 430 2HB LYS 58 1HB LYS 58 6.495 2.127 -12.769 431 1HG LYS 58 2HG LYS 58 5.728 1.055 -14.855 432 2HG LYS 58 1HG LYS 58 4.896 2.549 -15.291 433 1HD LYS 58 2HD LYS 58 7.006 2.504 -16.434 434 2HD LYS 58 1HD LYS 58 7.092 3.728 -15.167 435 1HE LYS 58 2HE LYS 58 9.137 2.515 -15.096 436 2HE LYS 58 1HE LYS 58 8.181 2.006 -13.705 437 1HZ LYS 58 1HZ LYS 58 9.143 0.089 -14.708 438 2HZ LYS 58 2HZ LYS 58 8.573 0.520 -16.246 439 3HZ LYS 58 3HZ LYS 58 7.477 0.047 -15.038 440 H ALA 59 H ALA 59 5.856 0.420 -11.203 441 HA ALA 59 HA ALA 59 5.724 -1.979 -12.655 442 1HB ALA 59 1HB ALA 59 6.316 -1.603 -9.716 443 2HB ALA 59 2HB ALA 59 7.488 -1.489 -11.031 444 3HB ALA 59 3HB ALA 59 6.705 -3.029 -10.681 445 H VAL 60 H VAL 60 3.793 -0.794 -9.941 446 HA VAL 60 HA VAL 60 2.272 -3.133 -9.522 447 HB VAL 60 HB VAL 60 1.466 -0.255 -9.038 448 1HG1 VAL 60 1HG1 VAL 60 0.314 -2.820 -7.939 449 2HG1 VAL 60 2HG1 VAL 60 -0.478 -1.712 -9.058 450 3HG1 VAL 60 3HG1 VAL 60 -0.125 -1.196 -7.410 451 1HG2 VAL 60 1HG2 VAL 60 2.735 -2.282 -7.198 452 2HG2 VAL 60 2HG2 VAL 60 2.163 -0.684 -6.720 453 3HG2 VAL 60 3HG2 VAL 60 3.506 -0.836 -7.853 454 H VAL 61 H VAL 61 1.682 -0.261 -11.520 455 HA VAL 61 HA VAL 61 -0.817 -1.083 -12.539 456 HB VAL 61 HB VAL 61 1.225 0.819 -13.706 457 1HG1 VAL 61 1HG1 VAL 61 -0.575 1.686 -15.099 458 2HG1 VAL 61 2HG1 VAL 61 -1.674 0.458 -14.468 459 3HG1 VAL 61 3HG1 VAL 61 -0.287 -0.018 -15.447 460 1HG2 VAL 61 1HG2 VAL 61 -0.266 2.549 -12.801 461 2HG2 VAL 61 2HG2 VAL 61 0.383 1.504 -11.536 462 3HG2 VAL 61 3HG2 VAL 61 -1.279 1.291 -12.089 463 H GLU 62 H GLU 62 2.492 -1.514 -13.746 464 HA GLU 62 HA GLU 62 1.876 -2.808 -16.151 465 1HB GLU 62 2HB GLU 62 4.232 -3.084 -14.284 466 2HB GLU 62 1HB GLU 62 4.156 -3.887 -15.844 467 1HG GLU 62 2HG GLU 62 4.017 -1.740 -16.969 468 2HG GLU 62 1HG GLU 62 4.011 -0.912 -15.411 469 H HIS 63 H HIS 63 2.325 -4.081 -12.887 470 HA HIS 63 HA HIS 63 1.994 -6.815 -13.504 471 1HB HIS 63 2HB HIS 63 2.930 -5.882 -11.365 472 2HB HIS 63 1HB HIS 63 1.296 -5.426 -10.905 473 HD1 HIS 63 HD1 HIS 63 3.657 -8.235 -10.903 474 HD2 HIS 63 HD2 HIS 63 -0.438 -7.683 -10.396 475 HE1 HIS 63 HE1 HIS 63 2.811 -10.346 -9.819 476 HE2 HIS 63 HE2 HIS 63 0.314 -10.042 -9.632 477 H ALA 64 H ALA 64 -0.287 -4.274 -12.580 478 HA ALA 64 HA ALA 64 -2.585 -5.921 -12.432 479 1HB ALA 64 1HB ALA 64 -2.485 -3.699 -11.417 480 2HB ALA 64 2HB ALA 64 -3.853 -3.841 -12.522 481 3HB ALA 64 3HB ALA 64 -2.404 -2.968 -13.021 482 H ARG 65 H ARG 65 -1.266 -3.908 -15.034 483 HA ARG 65 HA ARG 65 -3.230 -4.329 -16.956 484 1HB ARG 65 2HB ARG 65 -1.551 -2.680 -17.339 485 2HB ARG 65 1HB ARG 65 -0.259 -3.863 -17.208 486 1HG ARG 65 2HG ARG 65 -0.497 -3.316 -19.497 487 2HG ARG 65 1HG ARG 65 -1.144 -4.941 -19.277 488 1HD ARG 65 2HD ARG 65 -2.627 -3.752 -20.717 489 2HD ARG 65 1HD ARG 65 -3.424 -3.936 -19.158 490 HE ARG 65 HE ARG 65 -3.544 -1.670 -19.038 491 1HH1 ARG 65 2HH1 ARG 65 -0.880 -2.473 -21.173 492 2HH1 ARG 65 1HH1 ARG 65 -0.577 -0.828 -21.626 493 1HH2 ARG 65 1HH2 ARG 65 -3.157 0.482 -19.631 494 2HH2 ARG 65 2HH2 ARG 65 -1.865 0.869 -20.729 495 H GLU 66 H GLU 66 -0.288 -6.209 -16.315 496 HA GLU 66 HA GLU 66 -0.675 -8.076 -18.397 497 1HB GLU 66 2HB GLU 66 1.475 -7.601 -17.199 498 2HB GLU 66 1HB GLU 66 0.841 -8.480 -15.816 499 1HG GLU 66 2HG GLU 66 2.248 -9.952 -17.001 500 2HG GLU 66 1HG GLU 66 0.589 -10.468 -17.297 501 H ASN 67 H ASN 67 -1.503 -8.149 -14.940 502 HA ASN 67 HA ASN 67 -2.544 -10.850 -15.169 503 1HB ASN 67 2HB ASN 67 -2.243 -8.942 -12.860 504 2HB ASN 67 1HB ASN 67 -3.133 -10.451 -12.703 505 1HD2 ASN 67 1HD2 ASN 67 -0.325 -10.148 -14.749 506 2HD2 ASN 67 2HD2 ASN 67 0.713 -11.138 -13.789 507 H ASN 68 H ASN 68 -3.778 -7.966 -16.001 508 HA ASN 68 HA ASN 68 -5.855 -7.208 -16.513 509 1HB ASN 68 2HB ASN 68 -6.580 -10.089 -15.978 510 2HB ASN 68 1HB ASN 68 -7.769 -8.895 -16.482 511 1HD2 ASN 68 1HD2 ASN 68 -4.424 -9.069 -17.589 512 2HD2 ASN 68 2HD2 ASN 68 -4.801 -9.448 -19.235 513 H LEU 69 H LEU 69 -4.804 -6.904 -13.903 514 HA LEU 69 HA LEU 69 -6.999 -7.280 -12.039 515 1HB LEU 69 2HB LEU 69 -4.352 -5.889 -11.621 516 2HB LEU 69 1HB LEU 69 -5.480 -6.375 -10.373 517 HG LEU 69 HG LEU 69 -3.969 -8.277 -12.164 518 1HD1 LEU 69 1HD1 LEU 69 -2.689 -8.796 -10.125 519 2HD1 LEU 69 2HD1 LEU 69 -3.508 -7.470 -9.297 520 3HD1 LEU 69 3HD1 LEU 69 -2.454 -7.135 -10.670 521 1HD2 LEU 69 1HD2 LEU 69 -4.761 -10.000 -10.642 522 2HD2 LEU 69 2HD2 LEU 69 -6.122 -9.157 -11.382 523 3HD2 LEU 69 3HD2 LEU 69 -5.658 -8.794 -9.721 524 H LYS 70 H LYS 70 -8.207 -5.653 -11.133 525 HA LYS 70 HA LYS 70 -8.059 -3.029 -12.425 526 1HB LYS 70 2HB LYS 70 -10.177 -4.432 -10.819 527 2HB LYS 70 1HB LYS 70 -10.217 -2.687 -11.006 528 1HG LYS 70 2HG LYS 70 -11.649 -3.658 -12.648 529 2HG LYS 70 1HG LYS 70 -10.234 -3.002 -13.469 530 1HD LYS 70 2HD LYS 70 -9.256 -5.293 -13.469 531 2HD LYS 70 1HD LYS 70 -10.782 -5.893 -12.814 532 1HE LYS 70 2HE LYS 70 -10.720 -6.204 -15.219 533 2HE LYS 70 1HE LYS 70 -11.957 -5.022 -14.786 534 1HZ LYS 70 1HZ LYS 70 -10.435 -3.249 -15.404 535 2HZ LYS 70 2HZ LYS 70 -10.655 -4.308 -16.707 536 3HZ LYS 70 3HZ LYS 70 -9.230 -4.376 -15.789 537 H ILE 71 H ILE 71 -7.653 -1.144 -11.288 538 HA ILE 71 HA ILE 71 -6.431 -1.623 -8.657 539 HB ILE 71 HB ILE 71 -5.778 0.424 -10.768 540 1HG1 ILE 71 2HG1 ILE 71 -4.193 -1.859 -9.569 541 2HG1 ILE 71 1HG1 ILE 71 -4.874 -1.802 -11.192 542 1HG2 ILE 71 1HG2 ILE 71 -4.013 1.221 -9.266 543 2HG2 ILE 71 2HG2 ILE 71 -4.618 0.153 -7.998 544 3HG2 ILE 71 3HG2 ILE 71 -5.621 1.480 -8.589 545 1HD1 ILE 71 1HD1 ILE 71 -2.491 -1.361 -11.221 546 2HD1 ILE 71 2HD1 ILE 71 -2.716 0.001 -10.123 547 3HD1 ILE 71 3HD1 ILE 71 -3.402 0.053 -11.748 548 H ILE 72 H ILE 72 -7.459 -0.855 -6.981 549 HA ILE 72 HA ILE 72 -8.674 1.817 -7.203 550 HB ILE 72 HB ILE 72 -10.114 1.123 -5.213 551 1HG1 ILE 72 2HG1 ILE 72 -9.358 -1.642 -6.187 552 2HG1 ILE 72 1HG1 ILE 72 -8.855 -0.933 -4.657 553 1HG2 ILE 72 1HG2 ILE 72 -11.009 1.458 -7.451 554 2HG2 ILE 72 2HG2 ILE 72 -11.817 0.107 -6.654 555 3HG2 ILE 72 3HG2 ILE 72 -10.587 -0.198 -7.882 556 1HD1 ILE 72 1HD1 ILE 72 -10.702 -2.493 -4.370 557 2HD1 ILE 72 2HD1 ILE 72 -11.690 -1.526 -5.466 558 3HD1 ILE 72 3HD1 ILE 72 -11.168 -0.851 -3.923 559 H ALA 73 H ALA 73 -7.304 3.196 -6.286 560 HA ALA 73 HA ALA 73 -5.497 2.294 -4.207 561 1HB ALA 73 1HB ALA 73 -4.412 4.455 -4.470 562 2HB ALA 73 2HB ALA 73 -5.708 4.986 -5.539 563 3HB ALA 73 3HB ALA 73 -4.639 3.671 -6.034 564 H SER 74 H SER 74 -6.213 2.255 -2.187 565 HA SER 74 HA SER 74 -8.310 3.936 -1.237 566 1HB SER 74 2HB SER 74 -7.868 1.658 -0.325 567 2HB SER 74 1HB SER 74 -6.350 2.252 0.348 568 HG SER 74 HG SER 74 -7.697 2.511 2.003 569 H CYS 75 H CYS 75 -4.786 3.848 -0.876 570 HA CYS 75 HA CYS 75 -4.542 6.144 0.737 571 1HB CYS 75 2HB CYS 75 -2.687 4.555 0.399 572 2HB CYS 75 1HB CYS 75 -2.583 5.039 -1.289 573 HG CYS 75 HG CYS 75 -1.102 6.348 1.315 574 H SER 76 H SER 76 -5.093 8.146 0.269 575 HA SER 76 HA SER 76 -6.008 8.908 -2.273 576 1HB SER 76 2HB SER 76 -5.306 10.644 0.100 577 2HB SER 76 1HB SER 76 -6.280 11.140 -1.288 578 HG SER 76 HG SER 76 -6.885 9.264 0.743 579 H PHE 77 H PHE 77 -2.836 8.889 -0.988 580 HA PHE 77 HA PHE 77 -1.701 10.964 -2.563 581 1HB PHE 77 2HB PHE 77 -0.568 9.978 -0.590 582 2HB PHE 77 1HB PHE 77 -0.380 8.467 -1.472 583 HD1 PHE 77 HD1 PHE 77 1.392 8.161 -3.011 584 HD2 PHE 77 HD2 PHE 77 0.632 12.016 -1.374 585 HE1 PHE 77 HE1 PHE 77 3.531 8.970 -3.924 586 HE2 PHE 77 HE2 PHE 77 2.767 12.827 -2.285 587 HZ PHE 77 HZ PHE 77 4.219 11.305 -3.561 588 H ALA 78 H ALA 78 -1.865 7.438 -2.981 589 HA ALA 78 HA ALA 78 -0.868 7.485 -5.665 590 1HB ALA 78 1HB ALA 78 -0.584 5.518 -4.257 591 2HB ALA 78 2HB ALA 78 -1.522 5.105 -5.691 592 3HB ALA 78 3HB ALA 78 -2.332 5.328 -4.139 593 H LYS 79 H LYS 79 -3.982 7.536 -4.124 594 HA LYS 79 HA LYS 79 -5.731 6.885 -6.146 595 1HB LYS 79 2HB LYS 79 -6.369 7.317 -3.815 596 2HB LYS 79 1HB LYS 79 -6.041 9.028 -4.041 597 1HG LYS 79 2HG LYS 79 -7.828 9.059 -5.786 598 2HG LYS 79 1HG LYS 79 -8.227 7.405 -5.309 599 1HD LYS 79 2HD LYS 79 -8.227 9.802 -3.474 600 2HD LYS 79 1HD LYS 79 -9.661 9.070 -4.193 601 1HE LYS 79 2HE LYS 79 -9.268 7.016 -2.994 602 2HE LYS 79 1HE LYS 79 -7.734 7.626 -2.380 603 1HZ LYS 79 1HZ LYS 79 -8.838 9.190 -1.029 604 2HZ LYS 79 2HZ LYS 79 -9.662 7.727 -0.799 605 3HZ LYS 79 3HZ LYS 79 -10.330 8.931 -1.790 606 H HIS 80 H HIS 80 -4.598 10.181 -5.335 607 HA HIS 80 HA HIS 80 -6.016 11.361 -7.493 608 1HB HIS 80 2HB HIS 80 -3.863 12.426 -5.673 609 2HB HIS 80 1HB HIS 80 -4.587 13.399 -6.949 610 HD1 HIS 80 HD1 HIS 80 -7.525 12.831 -6.671 611 HD2 HIS 80 HD2 HIS 80 -5.001 13.295 -3.388 612 HE1 HIS 80 HE1 HIS 80 -9.011 13.494 -4.749 613 HE2 HIS 80 HE2 HIS 80 -7.437 13.982 -2.846 614 H MET 81 H MET 81 -2.931 9.855 -7.281 615 HA MET 81 HA MET 81 -1.758 11.153 -9.546 616 1HB MET 81 2HB MET 81 -0.451 9.985 -7.759 617 2HB MET 81 1HB MET 81 -1.074 8.454 -8.360 618 1HG MET 81 2HG MET 81 0.007 8.868 -10.519 619 2HG MET 81 1HG MET 81 0.642 10.393 -9.897 620 1HE MET 81 1HE MET 81 1.265 9.467 -6.849 621 2HE MET 81 2HE MET 81 2.350 10.502 -7.777 622 3HE MET 81 3HE MET 81 2.975 9.057 -6.981 623 H LEU 82 H LEU 82 -3.683 8.271 -8.998 624 HA LEU 82 HA LEU 82 -3.437 7.203 -11.633 625 1HB LEU 82 2HB LEU 82 -5.546 6.717 -9.524 626 2HB LEU 82 1HB LEU 82 -5.322 5.754 -10.970 627 HG LEU 82 HG LEU 82 -3.262 6.034 -8.782 628 1HD1 LEU 82 1HD1 LEU 82 -5.238 4.888 -7.954 629 2HD1 LEU 82 2HD1 LEU 82 -3.909 3.749 -8.171 630 3HD1 LEU 82 3HD1 LEU 82 -5.218 3.813 -9.353 631 1HD2 LEU 82 1HD2 LEU 82 -3.443 4.166 -11.143 632 2HD2 LEU 82 2HD2 LEU 82 -2.205 4.131 -9.888 633 3HD2 LEU 82 3HD2 LEU 82 -2.319 5.514 -10.974 634 H GLU 83 H GLU 83 -5.526 9.539 -10.132 635 HA GLU 83 HA GLU 83 -7.697 9.381 -11.949 636 1HB GLU 83 2HB GLU 83 -6.838 11.723 -10.242 637 2HB GLU 83 1HB GLU 83 -8.420 11.498 -10.973 638 1HG GLU 83 2HG GLU 83 -8.884 9.637 -9.555 639 2HG GLU 83 1HG GLU 83 -7.234 9.639 -8.932 640 H LYS 84 H LYS 84 -4.749 11.300 -11.885 641 HA LYS 84 HA LYS 84 -5.759 13.105 -13.913 642 1HB LYS 84 2HB LYS 84 -3.003 13.063 -12.682 643 2HB LYS 84 1HB LYS 84 -3.778 14.399 -13.521 644 1HG LYS 84 2HG LYS 84 -4.561 13.247 -10.852 645 2HG LYS 84 1HG LYS 84 -3.810 14.815 -11.156 646 1HD LYS 84 2HD LYS 84 -5.777 15.602 -12.285 647 2HD LYS 84 1HD LYS 84 -6.514 14.000 -12.219 648 1HE LYS 84 2HE LYS 84 -7.498 15.392 -10.519 649 2HE LYS 84 1HE LYS 84 -6.515 14.149 -9.748 650 1HZ LYS 84 1HZ LYS 84 -6.135 16.260 -8.698 651 2HZ LYS 84 2HZ LYS 84 -5.752 16.985 -10.181 652 3HZ LYS 84 3HZ LYS 84 -4.728 15.806 -9.530 653 H GLU 85 H GLU 85 -3.213 10.648 -13.637 654 HA GLU 85 HA GLU 85 -2.323 11.244 -16.332 655 1HB GLU 85 2HB GLU 85 -0.723 10.803 -14.460 656 2HB GLU 85 1HB GLU 85 -1.286 9.137 -14.438 657 1HG GLU 85 2HG GLU 85 -0.303 8.635 -16.452 658 2HG GLU 85 1HG GLU 85 -0.280 10.316 -16.981 659 H ASP 86 H ASP 86 -3.111 10.294 -18.050 660 HA ASP 86 HA ASP 86 -5.173 8.385 -17.909 661 1HB ASP 86 2HB ASP 86 -5.204 8.450 -20.306 662 2HB ASP 86 1HB ASP 86 -4.872 10.079 -19.728 663 H SER 87 H SER 87 -1.733 8.050 -18.251 664 HA SER 87 HA SER 87 -1.590 5.498 -19.387 665 1HB SER 87 2HB SER 87 0.354 7.017 -19.086 666 2HB SER 87 1HB SER 87 0.292 6.719 -17.350 667 HG SER 87 HG SER 87 0.434 4.371 -18.140 668 H TYR 88 H TYR 88 -2.483 6.525 -16.206 669 HA TYR 88 HA TYR 88 -2.305 3.782 -15.185 670 1HB TYR 88 2HB TYR 88 -2.863 6.390 -13.755 671 2HB TYR 88 1HB TYR 88 -2.794 4.812 -12.977 672 HD1 TYR 88 HD1 TYR 88 -1.081 7.524 -12.747 673 HD2 TYR 88 HD2 TYR 88 -0.433 3.660 -14.403 674 HE1 TYR 88 HE1 TYR 88 1.341 7.791 -12.417 675 HE2 TYR 88 HE2 TYR 88 1.986 3.918 -14.076 676 HH TYR 88 HH TYR 88 3.337 6.249 -12.132 677 H GLN 89 H GLN 89 -4.549 6.093 -16.350 678 HA GLN 89 HA GLN 89 -6.813 5.330 -14.816 679 1HB GLN 89 2HB GLN 89 -6.478 7.528 -16.001 680 2HB GLN 89 1HB GLN 89 -6.808 6.691 -17.510 681 1HG GLN 89 2HG GLN 89 -9.039 6.135 -16.749 682 2HG GLN 89 1HG GLN 89 -8.712 6.886 -15.189 683 1HE2 GLN 89 1HE2 GLN 89 -8.611 9.130 -15.043 684 2HE2 GLN 89 2HE2 GLN 89 -9.249 10.159 -16.283 685 H ASP 90 H ASP 90 -5.243 3.865 -17.444 686 HA ASP 90 HA ASP 90 -7.359 2.594 -18.770 687 1HB ASP 90 2HB ASP 90 -5.106 2.589 -19.685 688 2HB ASP 90 1HB ASP 90 -4.522 1.643 -18.320 689 H VAL 91 H VAL 91 -5.555 1.673 -15.877 690 HA VAL 91 HA VAL 91 -7.374 -0.614 -15.509 691 HB VAL 91 HB VAL 91 -5.718 -1.400 -13.804 692 1HG1 VAL 91 1HG1 VAL 91 -4.642 -0.989 -16.595 693 2HG1 VAL 91 2HG1 VAL 91 -5.698 -2.299 -16.073 694 3HG1 VAL 91 3HG1 VAL 91 -4.059 -2.182 -15.435 695 1HG2 VAL 91 1HG2 VAL 91 -4.012 0.820 -14.933 696 2HG2 VAL 91 2HG2 VAL 91 -3.478 -0.421 -13.800 697 3HG2 VAL 91 3HG2 VAL 91 -4.686 0.764 -13.306 698 H TYR 92 H TYR 92 -7.384 2.458 -14.786 699 HA TYR 92 HA TYR 92 -8.010 2.192 -11.937 700 1HB TYR 92 2HB TYR 92 -6.422 3.949 -12.434 701 2HB TYR 92 1HB TYR 92 -7.483 4.618 -13.668 702 HD1 TYR 92 HD1 TYR 92 -7.471 3.859 -10.004 703 HD2 TYR 92 HD2 TYR 92 -8.795 6.425 -13.126 704 HE1 TYR 92 HE1 TYR 92 -8.463 5.366 -8.333 705 HE2 TYR 92 HE2 TYR 92 -9.790 7.941 -11.467 706 HH TYR 92 HH TYR 92 -9.073 7.913 -8.272 707 H LEU 93 H LEU 93 -10.019 2.541 -11.155 708 HA LEU 93 HA LEU 93 -12.180 2.409 -13.053 709 1HB LEU 93 2HB LEU 93 -12.085 2.316 -10.044 710 2HB LEU 93 1HB LEU 93 -13.592 2.308 -10.937 711 HG LEU 93 HG LEU 93 -12.847 0.213 -12.074 712 1HD1 LEU 93 1HD1 LEU 93 -10.444 0.451 -11.795 713 2HD1 LEU 93 2HD1 LEU 93 -11.015 -1.063 -11.100 714 3HD1 LEU 93 3HD1 LEU 93 -10.618 0.295 -10.047 715 1HD2 LEU 93 1HD2 LEU 93 -13.239 -1.245 -10.150 716 2HD2 LEU 93 2HD2 LEU 93 -14.353 0.123 -10.173 717 3HD2 LEU 93 3HD2 LEU 93 -12.978 0.121 -9.066 718 H GLY 94 H GLY 94 -11.827 4.453 -10.143 719 1HA GLY 94 2HA GLY 94 -11.810 6.954 -10.908 720 2HA GLY 94 1HA GLY 94 -13.403 6.511 -11.507 721 H LEU 95 H LEU 95 -11.640 7.640 -8.870 722 HA LEU 95 HA LEU 95 -13.769 6.904 -6.982 723 1HB LEU 95 2HB LEU 95 -10.940 7.820 -6.468 724 2HB LEU 95 1HB LEU 95 -12.120 7.461 -5.221 725 HG LEU 95 HG LEU 95 -10.993 5.485 -7.207 726 1HD1 LEU 95 1HD1 LEU 95 -9.373 6.101 -5.523 727 2HD1 LEU 95 2HD1 LEU 95 -9.964 4.466 -5.225 728 3HD1 LEU 95 3HD1 LEU 95 -10.553 5.807 -4.245 729 1HD2 LEU 95 1HD2 LEU 95 -12.208 3.802 -5.912 730 2HD2 LEU 95 2HD2 LEU 95 -13.302 4.964 -6.660 731 3HD2 LEU 95 3HD2 LEU 95 -12.938 5.078 -4.939 732 H GLU 96 H GLU 96 -13.823 9.146 -8.951 733 HA GLU 96 HA GLU 96 -14.563 11.177 -6.959 734 1HB GLU 96 2HB GLU 96 -12.532 11.902 -8.226 735 2HB GLU 96 1HB GLU 96 -13.472 11.805 -9.710 736 1HG GLU 96 2HG GLU 96 -15.081 13.385 -8.258 737 2HG GLU 96 1HG GLU 96 -13.523 13.817 -7.560 738 H HIS 97 H HIS 97 -14.916 11.044 -10.480 739 HA HIS 97 HA HIS 97 -17.797 10.660 -10.205 740 1HB HIS 97 2HB HIS 97 -16.496 13.062 -11.480 741 2HB HIS 97 1HB HIS 97 -18.115 12.539 -11.927 742 HD1 HIS 97 HD1 HIS 97 -16.414 14.741 -9.689 743 HD2 HIS 97 HD2 HIS 97 -19.876 12.441 -9.511 744 HE1 HIS 97 HE1 HIS 97 -17.786 15.712 -7.812 745 HE2 HIS 97 HE2 HIS 97 -19.974 14.463 -7.907 746 H HIS 98 H HIS 98 -17.939 8.808 -11.324 747 HA HIS 98 HA HIS 98 -17.002 8.909 -14.120 748 1HB HIS 98 2HB HIS 98 -16.393 6.935 -12.500 749 2HB HIS 98 1HB HIS 98 -18.042 6.404 -12.815 750 HD1 HIS 98 HD1 HIS 98 -14.717 6.892 -14.479 751 HD2 HIS 98 HD2 HIS 98 -18.471 5.321 -15.353 752 HE1 HIS 98 HE1 HIS 98 -14.448 5.653 -16.653 753 HE2 HIS 98 HE2 HIS 98 -16.781 4.922 -17.270 754 H HIS 99 H HIS 99 -19.477 9.633 -12.253 755 HA HIS 99 HA HIS 99 -21.329 9.961 -14.340 756 1HB HIS 99 2HB HIS 99 -23.161 8.529 -13.411 757 2HB HIS 99 1HB HIS 99 -21.830 7.601 -14.087 758 HD1 HIS 99 HD1 HIS 99 -20.848 5.846 -12.623 759 HD2 HIS 99 HD2 HIS 99 -23.113 8.596 -10.473 760 HE1 HIS 99 HE1 HIS 99 -20.944 4.959 -10.271 761 HE2 HIS 99 HE2 HIS 99 -22.508 6.518 -9.052 762 H HIS 100 H HIS 100 -23.272 11.102 -13.537 763 HA HIS 100 HA HIS 100 -22.627 12.669 -11.174 764 1HB HIS 100 2HB HIS 100 -23.635 13.589 -13.364 765 2HB HIS 100 1HB HIS 100 -25.153 12.885 -12.820 766 HD1 HIS 100 HD1 HIS 100 -23.421 15.966 -12.813 767 HD2 HIS 100 HD2 HIS 100 -25.770 13.962 -10.030 768 HE1 HIS 100 HE1 HIS 100 -24.186 17.720 -11.190 769 HE2 HIS 100 HE2 HIS 100 -25.819 16.531 -9.688 770 H HIS 101 H HIS 101 -25.829 11.530 -12.093 771 HA HIS 101 HA HIS 101 -25.851 9.693 -9.812 772 1HB HIS 101 2HB HIS 101 -27.037 11.943 -9.320 773 2HB HIS 101 1HB HIS 101 -28.271 11.378 -10.444 774 HD1 HIS 101 HD1 HIS 101 -30.193 10.564 -9.102 775 HD2 HIS 101 HD2 HIS 101 -26.554 9.499 -7.394 776 HE1 HIS 101 HE1 HIS 101 -30.766 9.182 -7.083 777 HE2 HIS 101 HE2 HIS 101 -28.552 8.454 -6.125 778 H HIS 102 HN HIS 102 -26.892 10.682 -12.951 779 HA HIS 102 HA HIS 102 -27.679 7.896 -13.489 780 1HB HIS 102 2HB HIS 102 -28.768 10.405 -14.801 781 2HB HIS 102 1HB HIS 102 -29.127 8.761 -15.315 782 HD1 HIS 102 HD1 HIS 102 -30.714 7.369 -13.815 783 HD2 HIS 102 HD2 HIS 102 -30.154 11.291 -12.559 784 HE1 HIS 102 HE1 HIS 102 -32.518 7.800 -12.115 785 HE2 HIS 102 HE2 HIS 102 -32.031 10.113 -11.230 Start of MODEL 7 1 1H MET 1 1H MET 1 22.664 2.775 4.989 2 2H MET 1 2H MET 1 21.507 2.468 3.791 3 3H MET 1 3H MET 1 21.747 4.051 4.351 4 HA MET 1 HA MET 1 23.983 4.054 3.450 5 1HB MET 1 2HB MET 1 23.158 1.372 2.307 6 2HB MET 1 1HB MET 1 24.635 2.240 1.908 7 1HG MET 1 2HG MET 1 25.374 2.035 4.226 8 2HG MET 1 1HG MET 1 23.897 1.157 4.616 9 1HE MET 1 1HE MET 1 25.423 -0.743 5.670 10 2HE MET 1 2HE MET 1 26.885 0.126 5.204 11 3HE MET 1 3HE MET 1 26.702 -1.578 4.788 12 H SER 2 H SER 2 24.341 4.646 1.175 13 HA SER 2 HA SER 2 22.001 5.755 0.002 14 1HB SER 2 2HB SER 2 24.734 5.490 -1.259 15 2HB SER 2 1HB SER 2 23.481 6.666 -1.656 16 HG SER 2 HG SER 2 24.057 7.850 -0.011 17 H ASN 3 H ASN 3 20.614 4.072 -0.509 18 HA ASN 3 HA ASN 3 21.119 2.795 -3.041 19 1HB ASN 3 2HB ASN 3 22.183 1.223 -1.433 20 2HB ASN 3 1HB ASN 3 20.640 1.073 -0.596 21 1HD2 ASN 3 1HD2 ASN 3 20.469 -1.116 -0.982 22 2HD2 ASN 3 2HD2 ASN 3 20.130 -1.761 -2.557 23 H LEU 4 H LEU 4 19.224 2.116 -4.036 24 HA LEU 4 HA LEU 4 16.753 2.788 -2.599 25 1HB LEU 4 2HB LEU 4 15.773 3.349 -4.834 26 2HB LEU 4 1HB LEU 4 17.008 4.447 -4.263 27 HG LEU 4 HG LEU 4 17.657 2.265 -6.237 28 1HD1 LEU 4 1HD1 LEU 4 15.813 3.548 -7.174 29 2HD1 LEU 4 2HD1 LEU 4 17.319 3.903 -8.021 30 3HD1 LEU 4 3HD1 LEU 4 16.675 5.051 -6.846 31 1HD2 LEU 4 1HD2 LEU 4 19.528 3.403 -5.119 32 2HD2 LEU 4 2HD2 LEU 4 18.909 4.957 -5.679 33 3HD2 LEU 4 3HD2 LEU 4 19.478 3.761 -6.844 34 H GLU 5 H GLU 5 16.784 1.369 -5.783 35 HA GLU 5 HA GLU 5 16.155 -0.633 -6.629 36 1HB GLU 5 2HB GLU 5 16.789 -1.725 -3.885 37 2HB GLU 5 1HB GLU 5 16.545 -2.678 -5.341 38 1HG GLU 5 2HG GLU 5 18.525 -1.720 -6.340 39 2HG GLU 5 1HG GLU 5 18.745 -0.664 -4.944 40 H ILE 6 H ILE 6 14.198 -1.469 -7.047 41 HA ILE 6 HA ILE 6 12.018 -0.920 -5.244 42 HB ILE 6 HB ILE 6 11.982 -2.561 -7.789 43 1HG1 ILE 6 2HG1 ILE 6 11.272 0.352 -7.368 44 2HG1 ILE 6 1HG1 ILE 6 12.741 -0.223 -8.150 45 1HG2 ILE 6 1HG2 ILE 6 9.567 -2.118 -7.756 46 2HG2 ILE 6 2HG2 ILE 6 9.748 -1.280 -6.216 47 3HG2 ILE 6 3HG2 ILE 6 10.084 -3.009 -6.322 48 1HD1 ILE 6 1HD1 ILE 6 11.066 0.500 -9.767 49 2HD1 ILE 6 2HD1 ILE 6 9.936 -0.695 -9.130 50 3HD1 ILE 6 3HD1 ILE 6 11.418 -1.221 -9.928 51 H LYS 7 H LYS 7 12.357 -2.072 -3.401 52 HA LYS 7 HA LYS 7 12.902 -4.915 -3.496 53 1HB LYS 7 2HB LYS 7 12.195 -3.222 -1.094 54 2HB LYS 7 1HB LYS 7 12.980 -4.790 -1.091 55 1HG LYS 7 2HG LYS 7 14.217 -2.303 -2.257 56 2HG LYS 7 1HG LYS 7 14.470 -2.849 -0.599 57 1HD LYS 7 2HD LYS 7 15.046 -5.111 -1.980 58 2HD LYS 7 1HD LYS 7 15.579 -3.873 -3.121 59 1HE LYS 7 2HE LYS 7 16.424 -4.093 -0.231 60 2HE LYS 7 1HE LYS 7 17.388 -4.590 -1.618 61 1HZ LYS 7 1HZ LYS 7 16.457 -1.803 -1.162 62 2HZ LYS 7 2HZ LYS 7 17.556 -2.341 -2.338 63 3HZ LYS 7 3HZ LYS 7 17.981 -2.384 -0.699 64 H GLN 8 H GLN 8 11.268 -6.326 -3.848 65 HA GLN 8 HA GLN 8 8.576 -5.532 -3.000 66 1HB GLN 8 2HB GLN 8 7.721 -7.305 -4.417 67 2HB GLN 8 1HB GLN 8 8.788 -6.251 -5.333 68 1HG GLN 8 2HG GLN 8 10.510 -7.859 -5.350 69 2HG GLN 8 1HG GLN 8 9.700 -8.847 -4.137 70 1HE2 GLN 8 1HE2 GLN 8 10.611 -9.527 -6.853 71 2HE2 GLN 8 2HE2 GLN 8 9.204 -10.115 -7.679 72 H GLY 9 H GLY 9 7.417 -6.628 -1.547 73 1HA GLY 9 2HA GLY 9 7.964 -9.225 -0.604 74 2HA GLY 9 1HA GLY 9 8.726 -8.053 0.464 75 H GLU 10 H GLU 10 6.407 -9.951 0.729 76 HA GLU 10 HA GLU 10 4.330 -10.062 1.628 77 1HB GLU 10 2HB GLU 10 4.060 -8.760 3.691 78 2HB GLU 10 1HB GLU 10 5.656 -9.476 3.563 79 1HG GLU 10 2HG GLU 10 6.471 -7.242 2.742 80 2HG GLU 10 1HG GLU 10 4.894 -6.595 3.192 81 H ASN 11 H ASN 11 4.063 -8.820 -0.768 82 HA ASN 11 HA ASN 11 2.461 -7.768 -2.000 83 1HB ASN 11 2HB ASN 11 1.121 -7.260 0.668 84 2HB ASN 11 1HB ASN 11 0.405 -6.882 -0.894 85 1HD2 ASN 11 1HD2 ASN 11 1.129 -9.333 1.399 86 2HD2 ASN 11 2HD2 ASN 11 0.297 -10.628 0.604 87 H LYS 12 H LYS 12 4.762 -6.383 -0.538 88 HA LYS 12 HA LYS 12 3.824 -3.626 -0.954 89 1HB LYS 12 2HB LYS 12 4.072 -3.825 1.380 90 2HB LYS 12 1HB LYS 12 5.533 -4.787 1.230 91 1HG LYS 12 2HG LYS 12 6.801 -2.883 0.553 92 2HG LYS 12 1HG LYS 12 5.346 -1.886 0.458 93 1HD LYS 12 2HD LYS 12 6.570 -1.418 2.510 94 2HD LYS 12 1HD LYS 12 5.012 -2.161 2.876 95 1HE LYS 12 2HE LYS 12 6.145 -4.337 3.127 96 2HE LYS 12 1HE LYS 12 7.693 -3.546 2.832 97 1HZ LYS 12 1HZ LYS 12 7.324 -2.183 4.802 98 2HZ LYS 12 2HZ LYS 12 7.302 -3.834 5.194 99 3HZ LYS 12 3HZ LYS 12 5.850 -2.969 5.090 100 H PHE 13 H PHE 13 4.888 -2.574 -2.482 101 HA PHE 13 HA PHE 13 7.616 -3.408 -3.184 102 1HB PHE 13 2HB PHE 13 5.582 -1.693 -4.616 103 2HB PHE 13 1HB PHE 13 7.271 -1.750 -5.106 104 HD1 PHE 13 HD1 PHE 13 4.125 -3.613 -4.935 105 HD2 PHE 13 HD2 PHE 13 8.190 -3.693 -6.176 106 HE1 PHE 13 HE1 PHE 13 3.661 -5.598 -6.315 107 HE2 PHE 13 HE2 PHE 13 7.736 -5.678 -7.559 108 HZ PHE 13 HZ PHE 13 5.468 -6.633 -7.627 109 H TYR 14 H TYR 14 9.052 -2.438 -1.875 110 HA TYR 14 HA TYR 14 8.617 0.418 -1.321 111 1HB TYR 14 2HB TYR 14 9.677 0.114 0.871 112 2HB TYR 14 1HB TYR 14 8.233 -0.875 0.707 113 HD1 TYR 14 HD1 TYR 14 11.767 -0.851 1.389 114 HD2 TYR 14 HD2 TYR 14 8.512 -3.356 0.273 115 HE1 TYR 14 HE1 TYR 14 13.059 -2.829 2.068 116 HE2 TYR 14 HE2 TYR 14 9.799 -5.336 0.948 117 HH TYR 14 HH TYR 14 12.727 -5.124 2.726 118 H ILE 15 H ILE 15 10.122 1.725 -2.006 119 HA ILE 15 HA ILE 15 12.714 0.678 -2.813 120 HB ILE 15 HB ILE 15 11.446 3.402 -3.128 121 1HG1 ILE 15 2HG1 ILE 15 12.237 1.222 -5.072 122 2HG1 ILE 15 1HG1 ILE 15 10.604 1.747 -4.675 123 1HG2 ILE 15 1HG2 ILE 15 14.213 2.538 -3.971 124 2HG2 ILE 15 2HG2 ILE 15 13.829 3.706 -2.707 125 3HG2 ILE 15 3HG2 ILE 15 13.439 4.069 -4.387 126 1HD1 ILE 15 1HD1 ILE 15 12.696 3.365 -6.109 127 2HD1 ILE 15 2HD1 ILE 15 11.075 3.926 -5.690 128 3HD1 ILE 15 3HD1 ILE 15 11.280 2.598 -6.833 129 H GLY 16 H GLY 16 14.259 0.537 -1.368 130 1HA GLY 16 2HA GLY 16 15.175 2.668 0.189 131 2HA GLY 16 1HA GLY 16 14.138 1.672 1.203 132 H ASP 17 H ASP 17 16.784 2.035 1.781 133 HA ASP 17 HA ASP 17 18.314 -0.206 0.786 134 1HB ASP 17 2HB ASP 17 19.451 1.894 1.185 135 2HB ASP 17 1HB ASP 17 18.917 1.912 2.862 136 H ASP 18 H ASP 18 16.002 0.231 3.131 137 HA ASP 18 HA ASP 18 16.485 -2.369 4.256 138 1HB ASP 18 2HB ASP 18 17.927 -0.826 5.649 139 2HB ASP 18 1HB ASP 18 16.454 -0.003 6.149 140 H GLU 19 H GLU 19 14.656 -3.018 5.670 141 HA GLU 19 HA GLU 19 12.171 -2.318 4.570 142 1HB GLU 19 2HB GLU 19 12.871 -3.741 7.137 143 2HB GLU 19 1HB GLU 19 11.220 -3.548 6.569 144 1HG GLU 19 2HG GLU 19 12.042 -5.736 5.998 145 2HG GLU 19 1HG GLU 19 11.789 -4.792 4.533 146 H ASN 20 H ASN 20 13.795 -1.269 7.536 147 HA ASN 20 HA ASN 20 11.583 0.455 8.279 148 1HB ASN 20 2HB ASN 20 14.281 -0.112 9.475 149 2HB ASN 20 1HB ASN 20 13.321 1.255 10.033 150 1HD2 ASN 20 1HD2 ASN 20 11.346 0.868 11.064 151 2HD2 ASN 20 2HD2 ASN 20 10.990 -0.667 11.786 152 H ASN 21 H ASN 21 13.943 0.658 6.026 153 HA ASN 21 HA ASN 21 14.114 3.591 6.244 154 1HB ASN 21 2HB ASN 21 16.145 1.579 5.311 155 2HB ASN 21 1HB ASN 21 16.213 3.250 4.761 156 1HD2 ASN 21 1HD2 ASN 21 16.597 1.100 7.454 157 2HD2 ASN 21 2HD2 ASN 21 17.359 2.241 8.512 158 H ALA 22 H ALA 22 12.057 1.962 4.971 159 HA ALA 22 HA ALA 22 12.408 2.212 2.136 160 1HB ALA 22 1HB ALA 22 10.916 0.520 3.082 161 2HB ALA 22 2HB ALA 22 10.045 1.608 2.000 162 3HB ALA 22 3HB ALA 22 9.891 1.792 3.747 163 H LEU 23 H LEU 23 12.560 4.160 1.240 164 HA LEU 23 HA LEU 23 11.400 6.496 2.455 165 1HB LEU 23 2HB LEU 23 12.787 6.151 -0.208 166 2HB LEU 23 1HB LEU 23 12.297 7.689 0.467 167 HG LEU 23 HG LEU 23 13.838 6.987 2.466 168 1HD1 LEU 23 1HD1 LEU 23 15.752 5.650 1.777 169 2HD1 LEU 23 2HD1 LEU 23 14.996 5.354 0.211 170 3HD1 LEU 23 3HD1 LEU 23 14.261 4.711 1.681 171 1HD2 LEU 23 1HD2 LEU 23 14.967 7.857 -0.190 172 2HD2 LEU 23 2HD2 LEU 23 15.706 8.111 1.392 173 3HD2 LEU 23 3HD2 LEU 23 14.185 8.909 0.990 174 H ALA 24 H ALA 24 10.544 4.236 -0.006 175 HA ALA 24 HA ALA 24 8.010 5.612 -0.409 176 1HB ALA 24 1HB ALA 24 9.831 4.860 -2.692 177 2HB ALA 24 2HB ALA 24 9.458 6.498 -2.160 178 3HB ALA 24 3HB ALA 24 8.190 5.483 -2.846 179 H GLU 25 H GLU 25 6.829 3.967 0.476 180 HA GLU 25 HA GLU 25 7.113 1.323 -0.799 181 1HB GLU 25 2HB GLU 25 6.089 0.384 1.284 182 2HB GLU 25 1HB GLU 25 7.676 1.100 1.514 183 1HG GLU 25 2HG GLU 25 6.773 3.001 2.577 184 2HG GLU 25 1HG GLU 25 5.130 2.581 2.089 185 H ILE 26 H ILE 26 5.532 0.890 -2.172 186 HA ILE 26 HA ILE 26 2.860 1.968 -1.585 187 HB ILE 26 HB ILE 26 3.659 2.688 -3.748 188 1HG1 ILE 26 2HG1 ILE 26 1.596 0.511 -4.153 189 2HG1 ILE 26 1HG1 ILE 26 1.244 2.088 -3.457 190 1HG2 ILE 26 1HG2 ILE 26 4.012 -0.234 -4.394 191 2HG2 ILE 26 2HG2 ILE 26 5.287 0.972 -4.216 192 3HG2 ILE 26 3HG2 ILE 26 4.146 1.087 -5.556 193 1HD1 ILE 26 1HD1 ILE 26 2.261 1.564 -6.240 194 2HD1 ILE 26 2HD1 ILE 26 1.944 3.152 -5.547 195 3HD1 ILE 26 3HD1 ILE 26 0.616 2.017 -5.792 196 H THR 27 H THR 27 1.424 0.615 -0.778 197 HA THR 27 HA THR 27 1.925 -2.269 -1.081 198 HB THR 27 HB THR 27 0.694 -2.570 1.028 199 HG1 THR 27 HG1 THR 27 -0.377 -0.977 1.919 200 1HG2 THR 27 1HG2 THR 27 2.341 -1.550 2.541 201 2HG2 THR 27 2HG2 THR 27 2.915 -0.539 1.217 202 3HG2 THR 27 3HG2 THR 27 3.110 -2.290 1.137 203 H TYR 28 H TYR 28 0.324 -3.606 -1.769 204 HA TYR 28 HA TYR 28 -2.392 -2.603 -1.959 205 1HB TYR 28 2HB TYR 28 -2.674 -3.134 -4.301 206 2HB TYR 28 1HB TYR 28 -1.349 -1.991 -4.129 207 HD1 TYR 28 HD1 TYR 28 -2.363 -5.195 -5.379 208 HD2 TYR 28 HD2 TYR 28 1.033 -2.881 -4.277 209 HE1 TYR 28 HE1 TYR 28 -0.926 -6.701 -6.682 210 HE2 TYR 28 HE2 TYR 28 2.480 -4.384 -5.578 211 HH TYR 28 HH TYR 28 2.429 -6.736 -6.406 212 H ARG 29 H ARG 29 -3.869 -4.150 -1.601 213 HA ARG 29 HA ARG 29 -2.841 -6.893 -1.323 214 1HB ARG 29 2HB ARG 29 -5.112 -5.484 0.065 215 2HB ARG 29 1HB ARG 29 -4.840 -7.214 0.180 216 1HG ARG 29 2HG ARG 29 -2.703 -6.854 1.235 217 2HG ARG 29 1HG ARG 29 -2.858 -5.109 1.017 218 1HD ARG 29 2HD ARG 29 -4.808 -6.776 2.595 219 2HD ARG 29 1HD ARG 29 -3.425 -5.949 3.314 220 HE ARG 29 HE ARG 29 -4.445 -3.850 2.387 221 1HH1 ARG 29 2HH1 ARG 29 -6.473 -6.654 3.054 222 2HH1 ARG 29 1HH1 ARG 29 -7.875 -5.694 3.436 223 1HH2 ARG 29 1HH2 ARG 29 -6.260 -2.613 2.912 224 2HH2 ARG 29 2HH2 ARG 29 -7.749 -3.394 3.381 225 H PHE 30 H PHE 30 -3.896 -8.573 -2.227 226 HA PHE 30 HA PHE 30 -5.769 -8.010 -4.348 227 1HB PHE 30 2HB PHE 30 -4.770 -10.681 -3.319 228 2HB PHE 30 1HB PHE 30 -5.632 -10.408 -4.828 229 HD1 PHE 30 HD1 PHE 30 -4.507 -9.524 -6.756 230 HD2 PHE 30 HD2 PHE 30 -2.441 -9.986 -3.068 231 HE1 PHE 30 HE1 PHE 30 -2.365 -9.203 -7.920 232 HE2 PHE 30 HE2 PHE 30 -0.292 -9.666 -4.224 233 HZ PHE 30 HZ PHE 30 -0.255 -9.273 -6.655 234 H VAL 31 H VAL 31 -7.587 -7.239 -3.279 235 HA VAL 31 HA VAL 31 -8.689 -8.641 -1.026 236 HB VAL 31 HB VAL 31 -10.541 -7.002 -1.150 237 1HG1 VAL 31 1HG1 VAL 31 -9.197 -5.036 -0.596 238 2HG1 VAL 31 2HG1 VAL 31 -7.780 -5.801 -1.316 239 3HG1 VAL 31 3HG1 VAL 31 -8.525 -6.498 0.124 240 1HG2 VAL 31 1HG2 VAL 31 -9.038 -5.928 -3.535 241 2HG2 VAL 31 2HG2 VAL 31 -10.404 -5.141 -2.744 242 3HG2 VAL 31 3HG2 VAL 31 -10.627 -6.688 -3.565 243 H ASP 32 H ASP 32 -9.077 -8.773 -4.432 244 HA ASP 32 HA ASP 32 -10.861 -11.028 -4.110 245 1HB ASP 32 2HB ASP 32 -12.335 -8.972 -4.313 246 2HB ASP 32 1HB ASP 32 -11.715 -8.792 -5.951 247 H ASN 33 H ASN 33 -8.356 -11.217 -4.762 248 HA ASN 33 HA ASN 33 -6.939 -12.242 -6.180 249 1HB ASN 33 2HB ASN 33 -9.036 -13.575 -6.714 250 2HB ASN 33 1HB ASN 33 -9.205 -12.555 -8.140 251 1HD2 ASN 33 1HD2 ASN 33 -6.129 -13.586 -6.808 252 2HD2 ASN 33 2HD2 ASN 33 -5.693 -14.617 -8.135 253 H ASN 34 H ASN 34 -9.018 -10.760 -8.682 254 HA ASN 34 HA ASN 34 -6.636 -9.469 -9.758 255 1HB ASN 34 2HB ASN 34 -9.411 -9.886 -10.828 256 2HB ASN 34 1HB ASN 34 -8.337 -8.699 -11.559 257 1HD2 ASN 34 1HD2 ASN 34 -8.053 -9.715 -13.474 258 2HD2 ASN 34 2HD2 ASN 34 -7.214 -11.216 -13.649 259 H GLU 35 H GLU 35 -9.101 -8.743 -7.645 260 HA GLU 35 HA GLU 35 -9.153 -5.895 -8.189 261 1HB GLU 35 2HB GLU 35 -10.960 -7.564 -7.045 262 2HB GLU 35 1HB GLU 35 -10.162 -6.943 -5.608 263 1HG GLU 35 2HG GLU 35 -12.040 -5.579 -6.008 264 2HG GLU 35 1HG GLU 35 -10.619 -4.638 -6.466 265 H ILE 36 H ILE 36 -7.276 -4.854 -7.718 266 HA ILE 36 HA ILE 36 -5.903 -5.642 -5.245 267 HB ILE 36 HB ILE 36 -3.895 -4.496 -6.141 268 1HG1 ILE 36 2HG1 ILE 36 -5.492 -4.347 -8.711 269 2HG1 ILE 36 1HG1 ILE 36 -5.040 -2.968 -7.712 270 1HG2 ILE 36 1HG2 ILE 36 -5.014 -6.679 -7.891 271 2HG2 ILE 36 2HG2 ILE 36 -4.201 -6.906 -6.342 272 3HG2 ILE 36 3HG2 ILE 36 -3.310 -6.255 -7.719 273 1HD1 ILE 36 1HD1 ILE 36 -2.677 -3.441 -8.144 274 2HD1 ILE 36 2HD1 ILE 36 -3.580 -3.170 -9.636 275 3HD1 ILE 36 3HD1 ILE 36 -3.144 -4.810 -9.154 276 H ASN 37 H ASN 37 -6.172 -4.424 -3.569 277 HA ASN 37 HA ASN 37 -7.043 -1.645 -3.912 278 1HB ASN 37 2HB ASN 37 -8.466 -3.005 -2.489 279 2HB ASN 37 1HB ASN 37 -7.089 -3.480 -1.505 280 1HD2 ASN 37 1HD2 ASN 37 -6.230 -2.016 -0.021 281 2HD2 ASN 37 2HD2 ASN 37 -7.084 -0.589 0.467 282 H ILE 38 H ILE 38 -5.457 -0.201 -3.929 283 HA ILE 38 HA ILE 38 -2.961 -0.676 -2.560 284 HB ILE 38 HB ILE 38 -3.992 1.700 -4.116 285 1HG1 ILE 38 2HG1 ILE 38 -1.967 1.165 -5.530 286 2HG1 ILE 38 1HG1 ILE 38 -1.761 -0.293 -4.568 287 1HG2 ILE 38 1HG2 ILE 38 -2.669 2.561 -2.262 288 2HG2 ILE 38 2HG2 ILE 38 -1.819 2.772 -3.792 289 3HG2 ILE 38 3HG2 ILE 38 -1.343 1.480 -2.689 290 1HD1 ILE 38 1HD1 ILE 38 -2.866 -0.700 -6.717 291 2HD1 ILE 38 2HD1 ILE 38 -4.186 0.361 -6.221 292 3HD1 ILE 38 3HD1 ILE 38 -3.883 -1.136 -5.341 293 H ASP 39 H ASP 39 -2.918 -0.570 -0.441 294 HA ASP 39 HA ASP 39 -4.825 0.846 1.117 295 1HB ASP 39 2HB ASP 39 -2.221 -0.494 1.840 296 2HB ASP 39 1HB ASP 39 -3.254 0.289 3.031 297 H HIS 40 H HIS 40 -1.327 1.325 0.657 298 HA HIS 40 HA HIS 40 -1.713 4.184 0.804 299 1HB HIS 40 2HB HIS 40 -0.201 4.575 2.662 300 2HB HIS 40 1HB HIS 40 -1.519 3.541 3.192 301 HD1 HIS 40 HD1 HIS 40 -0.886 1.322 4.236 302 HD2 HIS 40 HD2 HIS 40 2.321 3.194 2.346 303 HE1 HIS 40 HE1 HIS 40 1.152 -0.020 4.852 304 HE2 HIS 40 HE2 HIS 40 3.098 1.216 3.821 305 H THR 41 H THR 41 -0.178 5.297 -0.274 306 HA THR 41 HA THR 41 2.192 3.820 -1.183 307 HB THR 41 HB THR 41 1.116 6.417 -2.313 308 HG1 THR 41 HG1 THR 41 0.886 3.924 -3.615 309 1HG2 THR 41 1HG2 THR 41 3.089 4.410 -3.415 310 2HG2 THR 41 2HG2 THR 41 3.499 5.986 -2.741 311 3HG2 THR 41 3HG2 THR 41 2.549 5.883 -4.223 312 H GLY 42 H GLY 42 3.459 4.079 0.619 313 1HA GLY 42 2HA GLY 42 3.597 6.637 1.965 314 2HA GLY 42 1HA GLY 42 4.412 5.157 2.443 315 H VAL 43 H VAL 43 4.480 7.776 0.089 316 HA VAL 43 HA VAL 43 7.388 7.419 -0.163 317 HB VAL 43 HB VAL 43 5.573 9.195 -1.812 318 1HG1 VAL 43 1HG1 VAL 43 7.474 9.338 -3.342 319 2HG1 VAL 43 2HG1 VAL 43 8.440 8.357 -2.239 320 3HG1 VAL 43 3HG1 VAL 43 7.886 9.957 -1.743 321 1HG2 VAL 43 1HG2 VAL 43 6.701 6.480 -2.481 322 2HG2 VAL 43 2HG2 VAL 43 5.822 7.528 -3.593 323 3HG2 VAL 43 3HG2 VAL 43 5.008 6.861 -2.179 324 H SER 44 H SER 44 8.628 8.711 1.064 325 HA SER 44 HA SER 44 7.504 10.874 2.532 326 1HB SER 44 2HB SER 44 9.435 9.593 3.361 327 2HB SER 44 1HB SER 44 10.426 10.257 2.069 328 HG SER 44 HG SER 44 9.052 12.076 3.663 329 H ASP 45 H ASP 45 7.425 12.941 2.117 330 HA ASP 45 HA ASP 45 8.391 13.810 -0.527 331 1HB ASP 45 2HB ASP 45 5.987 13.705 -0.551 332 2HB ASP 45 1HB ASP 45 5.883 14.613 0.955 333 H GLU 46 H GLU 46 10.340 14.536 0.304 334 HA GLU 46 HA GLU 46 10.141 16.969 1.956 335 1HB GLU 46 2HB GLU 46 12.575 15.203 1.621 336 2HB GLU 46 1HB GLU 46 12.387 16.544 2.741 337 1HG GLU 46 2HG GLU 46 10.941 13.909 2.832 338 2HG GLU 46 1HG GLU 46 12.215 14.457 3.920 339 H LEU 47 H LEU 47 10.163 16.217 -1.076 340 HA LEU 47 HA LEU 47 11.954 18.379 -1.874 341 1HB LEU 47 2HB LEU 47 13.146 16.148 -2.042 342 2HB LEU 47 1HB LEU 47 11.974 15.697 -3.262 343 HG LEU 47 HG LEU 47 13.650 18.162 -3.629 344 1HD1 LEU 47 1HD1 LEU 47 15.298 16.798 -4.814 345 2HD1 LEU 47 2HD1 LEU 47 14.444 15.336 -4.322 346 3HD1 LEU 47 3HD1 LEU 47 15.212 16.358 -3.108 347 1HD2 LEU 47 1HD2 LEU 47 13.308 17.671 -5.982 348 2HD2 LEU 47 2HD2 LEU 47 11.754 17.746 -5.149 349 3HD2 LEU 47 3HD2 LEU 47 12.456 16.184 -5.571 350 H GLY 48 H GLY 48 9.851 15.871 -3.316 351 1HA GLY 48 2HA GLY 48 7.658 17.241 -3.980 352 2HA GLY 48 1HA GLY 48 8.799 17.827 -5.182 353 H GLY 49 H GLY 49 7.248 16.883 -6.699 354 1HA GLY 49 2HA GLY 49 6.892 14.041 -6.803 355 2HA GLY 49 1HA GLY 49 6.473 15.190 -8.064 356 H GLN 50 H GLN 50 9.099 13.320 -6.670 357 HA GLN 50 HA GLN 50 10.788 13.810 -8.988 358 1HB GLN 50 2HB GLN 50 11.614 13.733 -6.571 359 2HB GLN 50 1HB GLN 50 11.373 11.995 -6.649 360 1HG GLN 50 2HG GLN 50 13.680 12.504 -7.039 361 2HG GLN 50 1HG GLN 50 12.962 11.880 -8.523 362 1HE2 GLN 50 1HE2 GLN 50 15.349 13.463 -8.206 363 2HE2 GLN 50 2HE2 GLN 50 15.112 14.913 -9.127 364 H GLY 51 H GLY 51 11.923 11.796 -9.913 365 1HA GLY 51 2HA GLY 51 10.033 10.326 -11.328 366 2HA GLY 51 1HA GLY 51 11.737 9.926 -11.218 367 H VAL 52 H VAL 52 11.623 9.523 -8.307 368 HA VAL 52 HA VAL 52 11.231 6.812 -8.112 369 HB VAL 52 HB VAL 52 10.825 8.819 -5.886 370 1HG1 VAL 52 1HG1 VAL 52 11.430 6.975 -4.391 371 2HG1 VAL 52 2HG1 VAL 52 11.488 5.881 -5.772 372 3HG1 VAL 52 3HG1 VAL 52 9.960 6.621 -5.298 373 1HG2 VAL 52 1HG2 VAL 52 12.989 9.093 -6.964 374 2HG2 VAL 52 2HG2 VAL 52 13.312 7.369 -6.782 375 3HG2 VAL 52 3HG2 VAL 52 13.182 8.395 -5.355 376 H GLY 53 H GLY 53 8.843 9.369 -7.622 377 1HA GLY 53 2HA GLY 53 6.807 7.818 -6.473 378 2HA GLY 53 1HA GLY 53 6.569 9.315 -7.361 379 H LYS 54 H LYS 54 7.277 8.741 -9.887 380 HA LYS 54 HA LYS 54 5.049 7.151 -10.727 381 1HB LYS 54 2HB LYS 54 7.220 8.548 -12.293 382 2HB LYS 54 1HB LYS 54 5.916 7.641 -13.049 383 1HG LYS 54 2HG LYS 54 4.318 9.150 -11.807 384 2HG LYS 54 1HG LYS 54 5.718 10.141 -11.402 385 1HD LYS 54 2HD LYS 54 4.568 11.011 -13.375 386 2HD LYS 54 1HD LYS 54 6.192 10.450 -13.783 387 1HE LYS 54 2HE LYS 54 5.324 8.424 -14.727 388 2HE LYS 54 1HE LYS 54 3.701 8.795 -14.150 389 1HZ LYS 54 1HZ LYS 54 3.538 10.598 -15.671 390 2HZ LYS 54 2HZ LYS 54 4.066 9.250 -16.548 391 3HZ LYS 54 3HZ LYS 54 5.168 10.464 -16.122 392 H LYS 55 H LYS 55 8.381 6.548 -10.156 393 HA LYS 55 HA LYS 55 8.762 4.331 -11.855 394 1HB LYS 55 2HB LYS 55 10.586 5.542 -10.674 395 2HB LYS 55 1HB LYS 55 10.032 4.849 -9.157 396 1HG LYS 55 2HG LYS 55 10.515 2.598 -10.030 397 2HG LYS 55 1HG LYS 55 11.112 3.329 -11.523 398 1HD LYS 55 2HD LYS 55 12.824 4.533 -10.242 399 2HD LYS 55 1HD LYS 55 12.235 3.783 -8.757 400 1HE LYS 55 2HE LYS 55 14.170 2.581 -9.501 401 2HE LYS 55 1HE LYS 55 12.753 1.561 -9.740 402 1HZ LYS 55 1HZ LYS 55 12.762 2.123 -12.079 403 2HZ LYS 55 2HZ LYS 55 14.277 1.505 -11.636 404 3HZ LYS 55 3HZ LYS 55 14.074 3.174 -11.859 405 H LEU 56 H LEU 56 7.517 4.613 -8.558 406 HA LEU 56 HA LEU 56 7.143 1.835 -8.128 407 1HB LEU 56 2HB LEU 56 5.839 4.253 -6.890 408 2HB LEU 56 1HB LEU 56 5.495 2.614 -6.374 409 HG LEU 56 HG LEU 56 8.190 3.965 -6.242 410 1HD1 LEU 56 1HD1 LEU 56 6.178 3.274 -4.108 411 2HD1 LEU 56 2HD1 LEU 56 6.651 4.892 -4.628 412 3HD1 LEU 56 3HD1 LEU 56 7.817 3.852 -3.809 413 1HD2 LEU 56 1HD2 LEU 56 7.290 1.253 -5.272 414 2HD2 LEU 56 2HD2 LEU 56 8.864 1.987 -4.966 415 3HD2 LEU 56 3HD2 LEU 56 8.394 1.566 -6.612 416 H LEU 57 H LEU 57 4.904 4.418 -9.109 417 HA LEU 57 HA LEU 57 2.643 2.808 -9.457 418 1HB LEU 57 2HB LEU 57 3.489 5.456 -10.549 419 2HB LEU 57 1HB LEU 57 2.072 4.676 -11.225 420 HG LEU 57 HG LEU 57 1.040 4.630 -8.976 421 1HD1 LEU 57 1HD1 LEU 57 2.003 5.902 -7.151 422 2HD1 LEU 57 2HD1 LEU 57 3.428 6.258 -8.128 423 3HD1 LEU 57 3HD1 LEU 57 3.087 4.599 -7.638 424 1HD2 LEU 57 1HD2 LEU 57 0.621 7.051 -8.807 425 2HD2 LEU 57 2HD2 LEU 57 0.515 6.453 -10.464 426 3HD2 LEU 57 3HD2 LEU 57 1.948 7.338 -9.936 427 H LYS 58 H LYS 58 5.275 3.578 -11.662 428 HA LYS 58 HA LYS 58 4.364 2.406 -13.999 429 1HB LYS 58 2HB LYS 58 6.452 3.648 -13.904 430 2HB LYS 58 1HB LYS 58 7.157 2.443 -12.836 431 1HG LYS 58 2HG LYS 58 6.709 0.805 -14.789 432 2HG LYS 58 1HG LYS 58 6.590 2.271 -15.764 433 1HD LYS 58 2HD LYS 58 8.930 1.551 -14.005 434 2HD LYS 58 1HD LYS 58 8.863 1.281 -15.744 435 1HE LYS 58 2HE LYS 58 8.614 3.973 -14.412 436 2HE LYS 58 1HE LYS 58 10.106 3.327 -15.095 437 1HZ LYS 58 1HZ LYS 58 7.621 4.067 -16.527 438 2HZ LYS 58 2HZ LYS 58 8.836 3.135 -17.243 439 3HZ LYS 58 3HZ LYS 58 9.175 4.716 -16.724 440 H ALA 59 H ALA 59 6.265 0.891 -11.399 441 HA ALA 59 HA ALA 59 6.350 -1.670 -12.534 442 1HB ALA 59 1HB ALA 59 6.557 -0.908 -9.625 443 2HB ALA 59 2HB ALA 59 7.884 -0.932 -10.788 444 3HB ALA 59 3HB ALA 59 7.075 -2.434 -10.339 445 H VAL 60 H VAL 60 4.082 -0.246 -10.210 446 HA VAL 60 HA VAL 60 2.687 -2.659 -9.690 447 HB VAL 60 HB VAL 60 1.709 0.183 -9.359 448 1HG1 VAL 60 1HG1 VAL 60 0.149 -0.792 -7.724 449 2HG1 VAL 60 2HG1 VAL 60 0.684 -2.403 -8.203 450 3HG1 VAL 60 3HG1 VAL 60 -0.143 -1.366 -9.365 451 1HG2 VAL 60 1HG2 VAL 60 3.748 -0.232 -8.097 452 2HG2 VAL 60 2HG2 VAL 60 3.037 -1.687 -7.401 453 3HG2 VAL 60 3HG2 VAL 60 2.364 -0.105 -7.012 454 H VAL 61 H VAL 61 1.898 0.121 -11.810 455 HA VAL 61 HA VAL 61 -0.526 -0.967 -12.762 456 HB VAL 61 HB VAL 61 1.298 1.086 -14.032 457 1HG1 VAL 61 1HG1 VAL 61 -0.643 1.730 -15.389 458 2HG1 VAL 61 2HG1 VAL 61 -1.551 0.371 -14.728 459 3HG1 VAL 61 3HG1 VAL 61 -0.130 0.077 -15.728 460 1HG2 VAL 61 1HG2 VAL 61 0.407 1.743 -11.852 461 2HG2 VAL 61 2HG2 VAL 61 -1.230 1.396 -12.412 462 3HG2 VAL 61 3HG2 VAL 61 -0.305 2.705 -13.147 463 H GLU 62 H GLU 62 2.793 -1.188 -13.928 464 HA GLU 62 HA GLU 62 2.265 -2.408 -16.404 465 1HB GLU 62 2HB GLU 62 4.445 -1.412 -15.660 466 2HB GLU 62 1HB GLU 62 4.682 -2.825 -14.642 467 1HG GLU 62 2HG GLU 62 4.679 -4.253 -16.620 468 2HG GLU 62 1HG GLU 62 4.439 -2.834 -17.640 469 H HIS 63 H HIS 63 3.111 -3.842 -13.256 470 HA HIS 63 HA HIS 63 2.833 -6.537 -14.097 471 1HB HIS 63 2HB HIS 63 4.142 -5.963 -12.130 472 2HB HIS 63 1HB HIS 63 2.722 -5.297 -11.336 473 HD1 HIS 63 HD1 HIS 63 4.275 -8.590 -12.331 474 HD2 HIS 63 HD2 HIS 63 1.120 -7.137 -10.038 475 HE1 HIS 63 HE1 HIS 63 3.430 -10.558 -11.009 476 HE2 HIS 63 HE2 HIS 63 1.402 -9.694 -9.777 477 H ALA 64 H ALA 64 0.605 -4.187 -12.739 478 HA ALA 64 HA ALA 64 -1.561 -5.891 -12.211 479 1HB ALA 64 1HB ALA 64 -2.956 -3.890 -12.339 480 2HB ALA 64 2HB ALA 64 -1.632 -3.004 -13.094 481 3HB ALA 64 3HB ALA 64 -1.479 -3.568 -11.430 482 H ARG 65 H ARG 65 -0.817 -3.948 -15.101 483 HA ARG 65 HA ARG 65 -3.012 -4.816 -16.616 484 1HB ARG 65 2HB ARG 65 -1.542 -2.812 -17.074 485 2HB ARG 65 1HB ARG 65 -0.348 -3.925 -17.723 486 1HG ARG 65 2HG ARG 65 -1.820 -4.594 -19.479 487 2HG ARG 65 1HG ARG 65 -3.159 -3.694 -18.765 488 1HD ARG 65 2HD ARG 65 -1.839 -1.603 -19.096 489 2HD ARG 65 1HD ARG 65 -0.634 -2.560 -19.960 490 HE ARG 65 HE ARG 65 -2.647 -3.183 -21.441 491 1HH1 ARG 65 2HH1 ARG 65 -2.095 -0.049 -19.964 492 2HH1 ARG 65 1HH1 ARG 65 -3.057 0.809 -21.125 493 1HH2 ARG 65 1HH2 ARG 65 -3.908 -2.038 -22.977 494 2HH2 ARG 65 2HH2 ARG 65 -4.076 -0.312 -22.827 495 H GLU 66 H GLU 66 0.153 -6.223 -16.099 496 HA GLU 66 HA GLU 66 0.195 -8.144 -18.127 497 1HB GLU 66 2HB GLU 66 1.268 -8.205 -15.310 498 2HB GLU 66 1HB GLU 66 1.508 -9.535 -16.431 499 1HG GLU 66 2HG GLU 66 2.687 -8.024 -17.952 500 2HG GLU 66 1HG GLU 66 2.471 -6.708 -16.795 501 H ASN 67 H ASN 67 -1.264 -8.280 -14.901 502 HA ASN 67 HA ASN 67 -2.228 -10.992 -15.489 503 1HB ASN 67 2HB ASN 67 -1.990 -9.515 -12.860 504 2HB ASN 67 1HB ASN 67 -2.610 -11.152 -13.038 505 1HD2 ASN 67 1HD2 ASN 67 0.220 -9.121 -13.188 506 2HD2 ASN 67 2HD2 ASN 67 1.386 -10.404 -13.172 507 H ASN 68 H ASN 68 -3.400 -8.149 -16.125 508 HA ASN 68 HA ASN 68 -5.473 -7.265 -16.437 509 1HB ASN 68 2HB ASN 68 -5.944 -9.591 -17.270 510 2HB ASN 68 1HB ASN 68 -6.520 -9.999 -15.660 511 1HD2 ASN 68 1HD2 ASN 68 -7.041 -6.926 -17.322 512 2HD2 ASN 68 2HD2 ASN 68 -8.759 -7.109 -17.475 513 H LEU 69 H LEU 69 -4.191 -7.021 -13.920 514 HA LEU 69 HA LEU 69 -6.198 -7.320 -11.862 515 1HB LEU 69 2HB LEU 69 -3.533 -5.909 -11.758 516 2HB LEU 69 1HB LEU 69 -4.537 -6.327 -10.385 517 HG LEU 69 HG LEU 69 -3.185 -8.312 -12.219 518 1HD1 LEU 69 1HD1 LEU 69 -1.582 -7.089 -10.852 519 2HD1 LEU 69 2HD1 LEU 69 -1.729 -8.757 -10.304 520 3HD1 LEU 69 3HD1 LEU 69 -2.515 -7.461 -9.404 521 1HD2 LEU 69 1HD2 LEU 69 -3.851 -9.955 -10.507 522 2HD2 LEU 69 2HD2 LEU 69 -5.237 -9.207 -11.299 523 3HD2 LEU 69 3HD2 LEU 69 -4.766 -8.696 -9.679 524 H LYS 70 H LYS 70 -7.482 -5.761 -11.066 525 HA LYS 70 HA LYS 70 -7.454 -3.198 -12.495 526 1HB LYS 70 2HB LYS 70 -9.665 -4.699 -11.096 527 2HB LYS 70 1HB LYS 70 -9.835 -3.031 -11.631 528 1HG LYS 70 2HG LYS 70 -9.480 -3.666 -13.917 529 2HG LYS 70 1HG LYS 70 -9.114 -5.322 -13.443 530 1HD LYS 70 2HD LYS 70 -11.770 -4.001 -12.917 531 2HD LYS 70 1HD LYS 70 -11.426 -4.928 -14.377 532 1HE LYS 70 2HE LYS 70 -12.421 -6.510 -13.017 533 2HE LYS 70 1HE LYS 70 -10.706 -6.788 -12.719 534 1HZ LYS 70 1HZ LYS 70 -10.951 -5.323 -10.724 535 2HZ LYS 70 2HZ LYS 70 -11.807 -6.779 -10.638 536 3HZ LYS 70 3HZ LYS 70 -12.623 -5.338 -10.983 537 H ILE 71 H ILE 71 -7.241 -1.319 -11.444 538 HA ILE 71 HA ILE 71 -6.159 -1.613 -8.749 539 HB ILE 71 HB ILE 71 -5.829 0.568 -10.805 540 1HG1 ILE 71 2HG1 ILE 71 -3.935 -1.478 -9.629 541 2HG1 ILE 71 1HG1 ILE 71 -4.543 -1.433 -11.280 542 1HG2 ILE 71 1HG2 ILE 71 -4.261 1.628 -9.257 543 2HG2 ILE 71 2HG2 ILE 71 -4.669 0.436 -8.025 544 3HG2 ILE 71 3HG2 ILE 71 -5.892 1.575 -8.587 545 1HD1 ILE 71 1HD1 ILE 71 -3.336 0.655 -11.661 546 2HD1 ILE 71 2HD1 ILE 71 -2.257 -0.650 -11.170 547 3HD1 ILE 71 3HD1 ILE 71 -2.721 0.596 -10.010 548 H ILE 72 H ILE 72 -7.379 -1.130 -7.089 549 HA ILE 72 HA ILE 72 -9.033 1.299 -7.258 550 HB ILE 72 HB ILE 72 -10.293 0.352 -5.272 551 1HG1 ILE 72 2HG1 ILE 72 -9.022 -2.239 -6.191 552 2HG1 ILE 72 1HG1 ILE 72 -8.639 -1.401 -4.691 553 1HG2 ILE 72 1HG2 ILE 72 -11.744 -1.056 -6.682 554 2HG2 ILE 72 2HG2 ILE 72 -10.491 -1.071 -7.923 555 3HG2 ILE 72 3HG2 ILE 72 -11.274 0.445 -7.478 556 1HD1 ILE 72 1HD1 ILE 72 -11.309 -2.570 -5.429 557 2HD1 ILE 72 2HD1 ILE 72 -10.932 -1.725 -3.927 558 3HD1 ILE 72 3HD1 ILE 72 -10.144 -3.259 -4.299 559 H ALA 73 H ALA 73 -7.863 2.888 -6.419 560 HA ALA 73 HA ALA 73 -6.018 2.371 -4.234 561 1HB ALA 73 1HB ALA 73 -5.269 4.674 -4.588 562 2HB ALA 73 2HB ALA 73 -6.544 4.902 -5.786 563 3HB ALA 73 3HB ALA 73 -5.246 3.747 -6.088 564 H SER 74 H SER 74 -6.682 2.504 -2.213 565 HA SER 74 HA SER 74 -9.186 3.841 -1.606 566 1HB SER 74 2HB SER 74 -8.708 1.549 -0.764 567 2HB SER 74 1HB SER 74 -7.381 2.206 0.192 568 HG SER 74 HG SER 74 -9.737 3.542 0.576 569 H CYS 75 H CYS 75 -5.850 4.492 -1.430 570 HA CYS 75 HA CYS 75 -6.168 6.465 0.684 571 1HB CYS 75 2HB CYS 75 -3.651 6.791 0.184 572 2HB CYS 75 1HB CYS 75 -4.169 5.311 0.984 573 HG CYS 75 HG CYS 75 -3.648 3.619 -0.972 574 H SER 76 H SER 76 -6.047 8.643 0.392 575 HA SER 76 HA SER 76 -7.042 9.674 -2.009 576 1HB SER 76 2HB SER 76 -5.615 11.184 0.193 577 2HB SER 76 1HB SER 76 -6.706 11.872 -1.009 578 HG SER 76 HG SER 76 -7.959 9.845 0.202 579 H PHE 77 H PHE 77 -3.761 9.697 -0.690 580 HA PHE 77 HA PHE 77 -2.523 11.372 -2.527 581 1HB PHE 77 2HB PHE 77 -1.476 10.579 -0.455 582 2HB PHE 77 1HB PHE 77 -1.379 8.953 -1.114 583 HD1 PHE 77 HD1 PHE 77 -0.239 12.436 -1.774 584 HD2 PHE 77 HD2 PHE 77 0.546 8.275 -2.200 585 HE1 PHE 77 HE1 PHE 77 1.993 12.952 -2.672 586 HE2 PHE 77 HE2 PHE 77 2.777 8.784 -3.101 587 HZ PHE 77 HZ PHE 77 3.506 11.123 -3.337 588 H ALA 78 H ALA 78 -2.616 7.810 -2.629 589 HA ALA 78 HA ALA 78 -1.333 7.571 -5.130 590 1HB ALA 78 1HB ALA 78 -1.430 5.742 -3.517 591 2HB ALA 78 2HB ALA 78 -2.089 5.250 -5.077 592 3HB ALA 78 3HB ALA 78 -3.177 5.628 -3.742 593 H LYS 79 H LYS 79 -4.770 7.599 -4.221 594 HA LYS 79 HA LYS 79 -5.748 6.970 -6.797 595 1HB LYS 79 2HB LYS 79 -6.968 6.977 -4.485 596 2HB LYS 79 1HB LYS 79 -7.314 8.657 -4.879 597 1HG LYS 79 2HG LYS 79 -8.124 7.622 -7.152 598 2HG LYS 79 1HG LYS 79 -8.295 6.166 -6.171 599 1HD LYS 79 2HD LYS 79 -10.395 7.257 -6.120 600 2HD LYS 79 1HD LYS 79 -9.640 7.570 -4.555 601 1HE LYS 79 2HE LYS 79 -10.687 9.583 -5.484 602 2HE LYS 79 1HE LYS 79 -8.944 9.772 -5.303 603 1HZ LYS 79 1HZ LYS 79 -8.741 9.213 -7.692 604 2HZ LYS 79 2HZ LYS 79 -9.587 10.648 -7.410 605 3HZ LYS 79 3HZ LYS 79 -10.427 9.238 -7.825 606 H HIS 80 H HIS 80 -4.731 9.936 -5.291 607 HA HIS 80 HA HIS 80 -5.942 11.688 -7.196 608 1HB HIS 80 2HB HIS 80 -5.007 12.173 -4.786 609 2HB HIS 80 1HB HIS 80 -3.489 12.434 -5.637 610 HD1 HIS 80 HD1 HIS 80 -5.788 14.437 -4.185 611 HD2 HIS 80 HD2 HIS 80 -4.474 14.251 -8.127 612 HE1 HIS 80 HE1 HIS 80 -6.319 16.677 -5.183 613 HE2 HIS 80 HE2 HIS 80 -5.737 16.454 -7.623 614 H MET 81 H MET 81 -2.792 10.146 -6.848 615 HA MET 81 HA MET 81 -1.542 11.488 -9.022 616 1HB MET 81 2HB MET 81 -0.885 8.886 -7.634 617 2HB MET 81 1HB MET 81 0.137 9.628 -8.854 618 1HG MET 81 2HG MET 81 0.469 11.564 -7.452 619 2HG MET 81 1HG MET 81 -0.633 10.907 -6.244 620 1HE MET 81 1HE MET 81 3.428 8.962 -7.286 621 2HE MET 81 2HE MET 81 2.809 10.406 -8.086 622 3HE MET 81 3HE MET 81 2.013 8.851 -8.333 623 H LEU 82 H LEU 82 -3.032 8.285 -8.690 624 HA LEU 82 HA LEU 82 -2.563 7.419 -11.327 625 1HB LEU 82 2HB LEU 82 -4.706 6.642 -9.349 626 2HB LEU 82 1HB LEU 82 -4.421 5.804 -10.861 627 HG LEU 82 HG LEU 82 -2.366 6.063 -8.664 628 1HD1 LEU 82 1HD1 LEU 82 -4.175 3.753 -9.357 629 2HD1 LEU 82 2HD1 LEU 82 -4.273 4.750 -7.904 630 3HD1 LEU 82 3HD1 LEU 82 -2.866 3.721 -8.176 631 1HD2 LEU 82 1HD2 LEU 82 -2.463 4.337 -11.137 632 2HD2 LEU 82 2HD2 LEU 82 -1.200 4.316 -9.906 633 3HD2 LEU 82 3HD2 LEU 82 -1.435 5.751 -10.905 634 H GLU 83 H GLU 83 -5.066 9.421 -9.943 635 HA GLU 83 HA GLU 83 -6.771 9.241 -12.273 636 1HB GLU 83 2HB GLU 83 -7.678 9.436 -9.968 637 2HB GLU 83 1HB GLU 83 -6.978 11.042 -9.853 638 1HG GLU 83 2HG GLU 83 -8.404 11.809 -11.661 639 2HG GLU 83 1HG GLU 83 -9.082 10.190 -11.828 640 H LYS 84 H LYS 84 -4.134 11.142 -11.232 641 HA LYS 84 HA LYS 84 -4.816 13.428 -12.885 642 1HB LYS 84 2HB LYS 84 -3.574 13.624 -10.692 643 2HB LYS 84 1HB LYS 84 -2.200 12.863 -11.479 644 1HG LYS 84 2HG LYS 84 -2.030 14.704 -13.041 645 2HG LYS 84 1HG LYS 84 -3.473 15.452 -12.351 646 1HD LYS 84 2HD LYS 84 -2.294 15.622 -10.180 647 2HD LYS 84 1HD LYS 84 -0.843 14.978 -10.951 648 1HE LYS 84 2HE LYS 84 -0.796 16.874 -12.479 649 2HE LYS 84 1HE LYS 84 -2.275 17.507 -11.755 650 1HZ LYS 84 1HZ LYS 84 -1.072 17.672 -9.635 651 2HZ LYS 84 2HZ LYS 84 -0.395 18.647 -10.844 652 3HZ LYS 84 3HZ LYS 84 0.357 17.187 -10.410 653 H GLU 85 H GLU 85 -2.873 10.559 -12.986 654 HA GLU 85 HA GLU 85 -1.673 11.269 -15.538 655 1HB GLU 85 2HB GLU 85 -0.488 9.958 -13.696 656 2HB GLU 85 1HB GLU 85 -1.547 8.615 -14.099 657 1HG GLU 85 2HG GLU 85 0.499 8.239 -15.208 658 2HG GLU 85 1HG GLU 85 -0.664 8.732 -16.436 659 H ASP 86 H ASP 86 -2.872 11.034 -17.329 660 HA ASP 86 HA ASP 86 -5.422 9.833 -17.308 661 1HB ASP 86 2HB ASP 86 -4.732 11.690 -18.820 662 2HB ASP 86 1HB ASP 86 -3.748 10.543 -19.724 663 H SER 87 H SER 87 -2.290 8.708 -18.441 664 HA SER 87 HA SER 87 -3.238 6.410 -19.791 665 1HB SER 87 2HB SER 87 -0.494 6.890 -18.614 666 2HB SER 87 1HB SER 87 -0.904 5.744 -19.889 667 HG SER 87 HG SER 87 -1.803 7.910 -20.858 668 H TYR 88 H TYR 88 -2.520 7.007 -16.418 669 HA TYR 88 HA TYR 88 -2.279 4.202 -15.789 670 1HB TYR 88 2HB TYR 88 -2.287 6.701 -14.133 671 2HB TYR 88 1HB TYR 88 -2.425 5.122 -13.369 672 HD1 TYR 88 HD1 TYR 88 -0.195 7.102 -12.905 673 HD2 TYR 88 HD2 TYR 88 -0.572 3.877 -15.653 674 HE1 TYR 88 HE1 TYR 88 2.252 6.870 -12.959 675 HE2 TYR 88 HE2 TYR 88 1.872 3.637 -15.717 676 HH TYR 88 HH TYR 88 3.858 4.871 -15.280 677 H GLN 89 H GLN 89 -4.855 6.256 -16.346 678 HA GLN 89 HA GLN 89 -6.672 5.057 -14.457 679 1HB GLN 89 2HB GLN 89 -6.968 7.080 -16.655 680 2HB GLN 89 1HB GLN 89 -8.378 6.389 -15.862 681 1HG GLN 89 2HG GLN 89 -7.720 7.268 -13.754 682 2HG GLN 89 1HG GLN 89 -6.146 7.752 -14.383 683 1HE2 GLN 89 1HE2 GLN 89 -5.966 9.580 -15.594 684 2HE2 GLN 89 2HE2 GLN 89 -7.228 10.755 -15.736 685 H ASP 90 H ASP 90 -5.290 3.763 -17.048 686 HA ASP 90 HA ASP 90 -7.487 2.621 -18.443 687 1HB ASP 90 2HB ASP 90 -5.307 2.626 -19.485 688 2HB ASP 90 1HB ASP 90 -4.623 1.694 -18.156 689 H VAL 91 H VAL 91 -5.299 1.250 -15.995 690 HA VAL 91 HA VAL 91 -7.129 -0.953 -15.530 691 HB VAL 91 HB VAL 91 -5.404 -1.678 -13.842 692 1HG1 VAL 91 1HG1 VAL 91 -5.392 -2.558 -16.111 693 2HG1 VAL 91 2HG1 VAL 91 -3.742 -2.335 -15.527 694 3HG1 VAL 91 3HG1 VAL 91 -4.443 -1.176 -16.657 695 1HG2 VAL 91 1HG2 VAL 91 -4.475 0.519 -13.326 696 2HG2 VAL 91 2HG2 VAL 91 -3.876 0.664 -14.978 697 3HG2 VAL 91 3HG2 VAL 91 -3.216 -0.571 -13.905 698 H TYR 92 H TYR 92 -6.744 2.163 -14.416 699 HA TYR 92 HA TYR 92 -7.660 1.707 -11.716 700 1HB TYR 92 2HB TYR 92 -6.187 3.571 -12.009 701 2HB TYR 92 1HB TYR 92 -7.147 4.204 -13.340 702 HD1 TYR 92 HD1 TYR 92 -8.670 5.895 -12.932 703 HD2 TYR 92 HD2 TYR 92 -7.401 3.450 -9.692 704 HE1 TYR 92 HE1 TYR 92 -9.910 7.334 -11.373 705 HE2 TYR 92 HE2 TYR 92 -8.639 4.882 -8.121 706 HH TYR 92 HH TYR 92 -10.895 7.258 -9.187 707 H LEU 93 H LEU 93 -9.711 1.304 -11.263 708 HA LEU 93 HA LEU 93 -11.777 2.480 -13.003 709 1HB LEU 93 2HB LEU 93 -13.262 0.684 -12.430 710 2HB LEU 93 1HB LEU 93 -11.758 0.018 -13.026 711 HG LEU 93 HG LEU 93 -12.395 0.208 -10.081 712 1HD1 LEU 93 1HD1 LEU 93 -13.013 -2.148 -10.200 713 2HD1 LEU 93 2HD1 LEU 93 -12.810 -2.120 -11.951 714 3HD1 LEU 93 3HD1 LEU 93 -14.086 -1.166 -11.197 715 1HD2 LEU 93 1HD2 LEU 93 -10.031 -0.046 -10.649 716 2HD2 LEU 93 2HD2 LEU 93 -10.418 -1.458 -11.630 717 3HD2 LEU 93 3HD2 LEU 93 -10.669 -1.504 -9.885 718 H GLY 94 H GLY 94 -10.751 1.933 -9.702 719 1HA GLY 94 2HA GLY 94 -11.195 3.126 -7.797 720 2HA GLY 94 1HA GLY 94 -11.963 4.336 -8.812 721 H LEU 95 H LEU 95 -13.889 4.739 -7.941 722 HA LEU 95 HA LEU 95 -15.454 2.518 -6.852 723 1HB LEU 95 2HB LEU 95 -15.727 5.509 -6.561 724 2HB LEU 95 1HB LEU 95 -16.935 4.380 -5.982 725 HG LEU 95 HG LEU 95 -15.071 3.349 -4.565 726 1HD1 LEU 95 1HD1 LEU 95 -13.158 4.330 -5.667 727 2HD1 LEU 95 2HD1 LEU 95 -13.224 4.869 -3.990 728 3HD1 LEU 95 3HD1 LEU 95 -13.734 5.952 -5.286 729 1HD2 LEU 95 1HD2 LEU 95 -15.356 5.037 -2.813 730 2HD2 LEU 95 2HD2 LEU 95 -16.875 4.683 -3.634 731 3HD2 LEU 95 3HD2 LEU 95 -15.995 6.165 -4.008 732 H GLU 96 H GLU 96 -17.314 1.845 -7.756 733 HA GLU 96 HA GLU 96 -17.983 2.739 -10.392 734 1HB GLU 96 2HB GLU 96 -19.511 0.894 -8.546 735 2HB GLU 96 1HB GLU 96 -19.769 1.075 -10.275 736 1HG GLU 96 2HG GLU 96 -17.636 0.111 -10.758 737 2HG GLU 96 1HG GLU 96 -17.208 0.091 -9.044 738 H HIS 97 H HIS 97 -19.735 2.710 -7.295 739 HA HIS 97 HA HIS 97 -21.411 4.910 -8.305 740 1HB HIS 97 2HB HIS 97 -22.635 2.827 -7.735 741 2HB HIS 97 1HB HIS 97 -22.010 2.926 -6.092 742 HD1 HIS 97 HD1 HIS 97 -23.494 4.075 -4.463 743 HD2 HIS 97 HD2 HIS 97 -24.316 5.190 -8.390 744 HE1 HIS 97 HE1 HIS 97 -25.470 5.625 -4.333 745 HE2 HIS 97 HE2 HIS 97 -25.845 6.418 -6.697 746 H HIS 98 H HIS 98 -21.709 6.724 -7.066 747 HA HIS 98 HA HIS 98 -19.648 7.510 -5.307 748 1HB HIS 98 2HB HIS 98 -21.248 8.940 -6.762 749 2HB HIS 98 1HB HIS 98 -22.359 8.821 -5.403 750 HD1 HIS 98 HD1 HIS 98 -22.146 10.630 -3.718 751 HD2 HIS 98 HD2 HIS 98 -18.652 10.109 -5.918 752 HE1 HIS 98 HE1 HIS 98 -20.585 12.458 -2.967 753 HE2 HIS 98 HE2 HIS 98 -18.584 12.265 -4.493 754 H HIS 99 H HIS 99 -19.404 6.321 -3.482 755 HA HIS 99 HA HIS 99 -21.783 5.625 -1.922 756 1HB HIS 99 2HB HIS 99 -19.939 3.946 -2.730 757 2HB HIS 99 1HB HIS 99 -19.026 4.575 -1.365 758 HD1 HIS 99 HD1 HIS 99 -20.949 1.799 -2.142 759 HD2 HIS 99 HD2 HIS 99 -20.979 4.430 1.079 760 HE1 HIS 99 HE1 HIS 99 -22.091 0.569 -0.268 761 HE2 HIS 99 HE2 HIS 99 -22.252 2.240 1.609 762 H HIS 100 H HIS 100 -22.085 6.282 0.131 763 HA HIS 100 HA HIS 100 -20.485 8.459 1.170 764 1HB HIS 100 2HB HIS 100 -23.054 8.155 1.304 765 2HB HIS 100 1HB HIS 100 -22.722 7.029 2.610 766 HD1 HIS 100 HD1 HIS 100 -23.482 10.455 1.994 767 HD2 HIS 100 HD2 HIS 100 -21.180 8.416 4.795 768 HE1 HIS 100 HE1 HIS 100 -23.184 12.050 3.923 769 HE2 HIS 100 HE2 HIS 100 -21.896 10.751 5.659 770 H HIS 101 H HIS 101 -19.125 8.366 2.982 771 HA HIS 101 HA HIS 101 -17.913 5.874 3.542 772 1HB HIS 101 2HB HIS 101 -16.608 7.018 5.241 773 2HB HIS 101 1HB HIS 101 -16.706 8.014 3.797 774 HD1 HIS 101 HD1 HIS 101 -17.515 10.359 4.102 775 HD2 HIS 101 HD2 HIS 101 -18.307 7.975 7.417 776 HE1 HIS 101 HE1 HIS 101 -18.376 11.922 5.874 777 HE2 HIS 101 HE2 HIS 101 -18.763 10.478 7.902 778 H HIS 102 HN HIS 102 -17.810 4.739 5.585 779 HA HIS 102 HA HIS 102 -20.409 4.430 6.773 780 1HB HIS 102 2HB HIS 102 -17.755 3.097 7.306 781 2HB HIS 102 1HB HIS 102 -19.198 2.743 8.245 782 HD1 HIS 102 HD1 HIS 102 -21.346 2.119 6.466 783 HD2 HIS 102 HD2 HIS 102 -17.430 1.291 5.340 784 HE1 HIS 102 HE1 HIS 102 -21.511 0.351 4.684 785 HE2 HIS 102 HE2 HIS 102 -19.128 -0.302 4.202 Start of MODEL 8 1 1H MET 1 1H MET 1 22.584 5.116 2.559 2 2H MET 1 2H MET 1 21.420 3.906 2.793 3 3H MET 1 3H MET 1 20.954 5.542 2.770 4 HA MET 1 HA MET 1 20.366 4.482 0.713 5 1HB MET 1 2HB MET 1 21.431 6.044 -0.819 6 2HB MET 1 1HB MET 1 21.024 6.855 0.685 7 1HG MET 1 2HG MET 1 23.765 5.848 -0.051 8 2HG MET 1 1HG MET 1 23.215 7.513 -0.211 9 1HE MET 1 1HE MET 1 25.849 6.627 1.342 10 2HE MET 1 2HE MET 1 25.760 7.628 2.790 11 3HE MET 1 3HE MET 1 25.344 8.312 1.218 12 H SER 2 H SER 2 20.855 3.153 -0.982 13 HA SER 2 HA SER 2 23.573 2.057 -1.108 14 1HB SER 2 2HB SER 2 22.421 -0.194 -1.555 15 2HB SER 2 1HB SER 2 22.388 0.398 0.108 16 HG SER 2 HG SER 2 20.323 -0.213 -0.369 17 H ASN 3 H ASN 3 20.516 1.397 -2.785 18 HA ASN 3 HA ASN 3 21.351 2.758 -5.183 19 1HB ASN 3 2HB ASN 3 22.541 0.535 -5.297 20 2HB ASN 3 1HB ASN 3 20.965 -0.247 -5.273 21 1HD2 ASN 3 1HD2 ASN 3 21.757 2.746 -6.965 22 2HD2 ASN 3 2HD2 ASN 3 21.523 2.105 -8.559 23 H LEU 4 H LEU 4 19.567 3.084 -6.592 24 HA LEU 4 HA LEU 4 17.008 2.775 -5.314 25 1HB LEU 4 2HB LEU 4 17.882 4.022 -7.907 26 2HB LEU 4 1HB LEU 4 16.186 3.813 -7.524 27 HG LEU 4 HG LEU 4 16.579 5.177 -5.442 28 1HD1 LEU 4 1HD1 LEU 4 19.214 5.751 -6.785 29 2HD1 LEU 4 2HD1 LEU 4 18.978 4.922 -5.245 30 3HD1 LEU 4 3HD1 LEU 4 18.555 6.627 -5.404 31 1HD2 LEU 4 1HD2 LEU 4 16.535 7.304 -6.622 32 2HD2 LEU 4 2HD2 LEU 4 15.538 6.104 -7.443 33 3HD2 LEU 4 3HD2 LEU 4 17.128 6.518 -8.084 34 H GLU 5 H GLU 5 16.855 0.509 -5.229 35 HA GLU 5 HA GLU 5 16.239 -0.779 -7.804 36 1HB GLU 5 2HB GLU 5 17.299 -1.927 -5.226 37 2HB GLU 5 1HB GLU 5 16.655 -2.928 -6.519 38 1HG GLU 5 2HG GLU 5 18.915 -0.991 -6.909 39 2HG GLU 5 1HG GLU 5 19.151 -2.676 -6.451 40 H ILE 6 H ILE 6 14.316 -1.814 -8.050 41 HA ILE 6 HA ILE 6 12.241 -1.091 -6.184 42 HB ILE 6 HB ILE 6 12.034 -2.778 -8.686 43 1HG1 ILE 6 2HG1 ILE 6 11.493 0.177 -8.287 44 2HG1 ILE 6 1HG1 ILE 6 12.893 -0.490 -9.121 45 1HG2 ILE 6 1HG2 ILE 6 9.648 -2.229 -8.579 46 2HG2 ILE 6 2HG2 ILE 6 9.916 -1.367 -7.065 47 3HG2 ILE 6 3HG2 ILE 6 10.173 -3.110 -7.145 48 1HD1 ILE 6 1HD1 ILE 6 11.420 -1.450 -10.813 49 2HD1 ILE 6 2HD1 ILE 6 11.219 0.296 -10.690 50 3HD1 ILE 6 3HD1 ILE 6 10.019 -0.781 -9.975 51 H LYS 7 H LYS 7 12.488 -2.214 -4.321 52 HA LYS 7 HA LYS 7 12.740 -5.109 -4.362 53 1HB LYS 7 2HB LYS 7 12.567 -3.052 -2.164 54 2HB LYS 7 1HB LYS 7 12.481 -4.773 -1.830 55 1HG LYS 7 2HG LYS 7 14.781 -3.487 -3.275 56 2HG LYS 7 1HG LYS 7 14.734 -3.725 -1.526 57 1HD LYS 7 2HD LYS 7 14.578 -5.878 -3.638 58 2HD LYS 7 1HD LYS 7 15.957 -5.542 -2.588 59 1HE LYS 7 2HE LYS 7 13.219 -6.423 -1.666 60 2HE LYS 7 1HE LYS 7 14.633 -7.464 -1.805 61 1HZ LYS 7 1HZ LYS 7 14.406 -5.107 -0.004 62 2HZ LYS 7 2HZ LYS 7 15.746 -6.138 -0.123 63 3HZ LYS 7 3HZ LYS 7 14.270 -6.728 0.468 64 H GLN 8 H GLN 8 11.047 -6.478 -4.294 65 HA GLN 8 HA GLN 8 8.452 -5.336 -3.530 66 1HB GLN 8 2HB GLN 8 7.391 -7.224 -4.650 67 2HB GLN 8 1HB GLN 8 8.452 -6.364 -5.754 68 1HG GLN 8 2HG GLN 8 10.137 -8.081 -5.502 69 2HG GLN 8 1HG GLN 8 9.120 -8.936 -4.344 70 1HE2 GLN 8 1HE2 GLN 8 7.302 -10.033 -5.063 71 2HE2 GLN 8 2HE2 GLN 8 7.041 -10.397 -6.734 72 H GLY 9 H GLY 9 7.472 -5.976 -1.770 73 1HA GLY 9 2HA GLY 9 8.753 -8.126 -0.202 74 2HA GLY 9 1HA GLY 9 8.060 -6.678 0.519 75 H GLU 10 H GLU 10 6.595 -7.749 1.798 76 HA GLU 10 HA GLU 10 4.904 -9.844 1.059 77 1HB GLU 10 2HB GLU 10 5.478 -8.759 3.375 78 2HB GLU 10 1HB GLU 10 4.084 -7.744 3.045 79 1HG GLU 10 2HG GLU 10 4.037 -10.752 3.139 80 2HG GLU 10 1HG GLU 10 3.588 -9.697 4.476 81 H ASN 11 H ASN 11 4.098 -9.375 -1.007 82 HA ASN 11 HA ASN 11 2.870 -8.412 -2.657 83 1HB ASN 11 2HB ASN 11 0.939 -8.329 -0.339 84 2HB ASN 11 1HB ASN 11 0.474 -7.944 -1.993 85 1HD2 ASN 11 1HD2 ASN 11 1.381 -10.453 0.225 86 2HD2 ASN 11 2HD2 ASN 11 1.011 -11.783 -0.825 87 H LYS 12 H LYS 12 4.669 -6.649 -1.896 88 HA LYS 12 HA LYS 12 3.316 -4.103 -2.264 89 1HB LYS 12 2HB LYS 12 4.288 -3.016 -0.351 90 2HB LYS 12 1HB LYS 12 3.423 -4.437 0.217 91 1HG LYS 12 2HG LYS 12 5.507 -5.661 0.427 92 2HG LYS 12 1HG LYS 12 6.400 -4.283 -0.221 93 1HD LYS 12 2HD LYS 12 5.514 -2.939 1.710 94 2HD LYS 12 1HD LYS 12 4.896 -4.448 2.386 95 1HE LYS 12 2HE LYS 12 7.187 -5.362 2.362 96 2HE LYS 12 1HE LYS 12 7.779 -3.817 1.754 97 1HZ LYS 12 1HZ LYS 12 6.617 -4.418 4.411 98 2HZ LYS 12 2HZ LYS 12 6.729 -2.832 3.827 99 3HZ LYS 12 3HZ LYS 12 8.137 -3.749 4.048 100 H PHE 13 H PHE 13 4.857 -2.351 -2.720 101 HA PHE 13 HA PHE 13 7.508 -3.336 -3.550 102 1HB PHE 13 2HB PHE 13 5.830 -1.181 -4.864 103 2HB PHE 13 1HB PHE 13 7.483 -1.583 -5.314 104 HD1 PHE 13 HD1 PHE 13 4.000 -2.449 -5.635 105 HD2 PHE 13 HD2 PHE 13 7.977 -3.796 -6.324 106 HE1 PHE 13 HE1 PHE 13 3.152 -4.135 -7.213 107 HE2 PHE 13 HE2 PHE 13 7.139 -5.484 -7.904 108 HZ PHE 13 HZ PHE 13 4.724 -5.655 -8.354 109 H TYR 14 H TYR 14 9.240 -2.198 -2.779 110 HA TYR 14 HA TYR 14 8.833 0.435 -1.635 111 1HB TYR 14 2HB TYR 14 9.664 -0.130 0.579 112 2HB TYR 14 1HB TYR 14 8.240 -1.096 0.218 113 HD1 TYR 14 HD1 TYR 14 8.874 -3.468 -0.937 114 HD2 TYR 14 HD2 TYR 14 11.402 -1.211 1.644 115 HE1 TYR 14 HE1 TYR 14 10.126 -5.507 -0.383 116 HE2 TYR 14 HE2 TYR 14 12.665 -3.246 2.190 117 HH TYR 14 HH TYR 14 12.268 -5.721 2.195 118 H ILE 15 H ILE 15 10.600 1.666 -1.675 119 HA ILE 15 HA ILE 15 13.187 0.412 -2.309 120 HB ILE 15 HB ILE 15 12.177 3.082 -3.324 121 1HG1 ILE 15 2HG1 ILE 15 12.661 0.482 -4.801 122 2HG1 ILE 15 1HG1 ILE 15 11.090 1.199 -4.460 123 1HG2 ILE 15 1HG2 ILE 15 14.585 3.075 -2.907 124 2HG2 ILE 15 2HG2 ILE 15 14.238 3.149 -4.635 125 3HG2 ILE 15 3HG2 ILE 15 14.759 1.631 -3.904 126 1HD1 ILE 15 1HD1 ILE 15 13.229 2.390 -6.212 127 2HD1 ILE 15 2HD1 ILE 15 11.651 3.103 -5.873 128 3HD1 ILE 15 3HD1 ILE 15 11.761 1.582 -6.760 129 H GLY 16 H GLY 16 14.704 0.836 -0.827 130 1HA GLY 16 2HA GLY 16 15.083 3.344 0.392 131 2HA GLY 16 1HA GLY 16 14.193 2.301 1.493 132 H ASP 17 H ASP 17 16.373 2.986 2.577 133 HA ASP 17 HA ASP 17 18.657 1.385 1.825 134 1HB ASP 17 2HB ASP 17 18.893 3.636 2.845 135 2HB ASP 17 1HB ASP 17 18.153 3.027 4.321 136 H ASP 18 H ASP 18 15.936 1.151 3.889 137 HA ASP 18 HA ASP 18 16.613 -1.550 4.663 138 1HB ASP 18 2HB ASP 18 17.682 -0.129 6.416 139 2HB ASP 18 1HB ASP 18 16.112 0.588 6.760 140 H GLU 19 H GLU 19 14.680 -2.501 5.904 141 HA GLU 19 HA GLU 19 12.252 -1.952 4.589 142 1HB GLU 19 2HB GLU 19 12.783 -4.123 5.623 143 2HB GLU 19 1HB GLU 19 12.744 -3.378 7.214 144 1HG GLU 19 2HG GLU 19 10.703 -4.543 6.894 145 2HG GLU 19 1HG GLU 19 10.359 -2.817 6.823 146 H ASN 20 H ASN 20 13.568 -0.966 7.711 147 HA ASN 20 HA ASN 20 11.227 0.522 8.489 148 1HB ASN 20 2HB ASN 20 12.811 -0.448 10.141 149 2HB ASN 20 1HB ASN 20 14.057 0.651 9.564 150 1HD2 ASN 20 1HD2 ASN 20 14.324 1.661 11.514 151 2HD2 ASN 20 2HD2 ASN 20 13.129 2.714 12.203 152 H ASN 21 H ASN 21 14.242 1.147 6.879 153 HA ASN 21 HA ASN 21 13.764 4.022 6.782 154 1HB ASN 21 2HB ASN 21 16.095 2.280 5.963 155 2HB ASN 21 1HB ASN 21 16.009 3.989 5.546 156 1HD2 ASN 21 1HD2 ASN 21 17.890 4.383 6.771 157 2HD2 ASN 21 2HD2 ASN 21 17.831 4.457 8.502 158 H ALA 22 H ALA 22 11.903 2.404 5.466 159 HA ALA 22 HA ALA 22 12.366 2.291 2.665 160 1HB ALA 22 1HB ALA 22 10.654 0.927 3.781 161 2HB ALA 22 2HB ALA 22 9.966 1.900 2.481 162 3HB ALA 22 3HB ALA 22 9.746 2.390 4.161 163 H LEU 23 H LEU 23 12.690 4.004 1.436 164 HA LEU 23 HA LEU 23 11.805 6.622 2.302 165 1HB LEU 23 2HB LEU 23 13.373 5.814 -0.151 166 2HB LEU 23 1HB LEU 23 13.121 7.456 0.414 167 HG LEU 23 HG LEU 23 14.659 5.313 1.887 168 1HD1 LEU 23 1HD1 LEU 23 15.603 7.761 0.404 169 2HD1 LEU 23 2HD1 LEU 23 15.827 6.085 -0.097 170 3HD1 LEU 23 3HD1 LEU 23 16.616 6.683 1.363 171 1HD2 LEU 23 1HD2 LEU 23 13.543 6.883 3.401 172 2HD2 LEU 23 2HD2 LEU 23 14.271 8.237 2.535 173 3HD2 LEU 23 3HD2 LEU 23 15.293 7.102 3.417 174 H ALA 24 H ALA 24 11.061 4.268 -0.160 175 HA ALA 24 HA ALA 24 8.632 5.780 -0.779 176 1HB ALA 24 1HB ALA 24 8.871 5.383 -3.165 177 2HB ALA 24 2HB ALA 24 10.414 4.572 -2.897 178 3HB ALA 24 3HB ALA 24 10.253 6.295 -2.559 179 H GLU 25 H GLU 25 7.147 4.430 0.021 180 HA GLU 25 HA GLU 25 7.327 1.587 -0.726 181 1HB GLU 25 2HB GLU 25 7.816 1.787 1.622 182 2HB GLU 25 1HB GLU 25 6.425 2.829 1.878 183 1HG GLU 25 2HG GLU 25 5.640 0.294 0.747 184 2HG GLU 25 1HG GLU 25 6.558 0.082 2.236 185 H ILE 26 H ILE 26 5.435 0.540 -1.290 186 HA ILE 26 HA ILE 26 2.891 1.892 -0.971 187 HB ILE 26 HB ILE 26 3.523 2.731 -3.138 188 1HG1 ILE 26 2HG1 ILE 26 1.532 0.475 -3.461 189 2HG1 ILE 26 1HG1 ILE 26 1.169 2.069 -2.808 190 1HG2 ILE 26 1HG2 ILE 26 3.985 -0.134 -3.956 191 2HG2 ILE 26 2HG2 ILE 26 5.214 1.115 -3.760 192 3HG2 ILE 26 3HG2 ILE 26 4.010 1.258 -5.041 193 1HD1 ILE 26 1HD1 ILE 26 2.081 1.455 -5.611 194 2HD1 ILE 26 2HD1 ILE 26 1.774 3.067 -4.964 195 3HD1 ILE 26 3HD1 ILE 26 0.452 1.909 -5.109 196 H THR 27 H THR 27 1.592 0.435 -0.094 197 HA THR 27 HA THR 27 2.080 -2.408 -0.673 198 HB THR 27 HB THR 27 0.774 -2.833 1.422 199 HG1 THR 27 HG1 THR 27 0.014 -1.202 2.588 200 1HG2 THR 27 1HG2 THR 27 3.247 -1.124 1.677 201 2HG2 THR 27 2HG2 THR 27 3.193 -2.877 1.486 202 3HG2 THR 27 3HG2 THR 27 2.577 -2.129 2.960 203 H TYR 28 H TYR 28 0.462 -3.714 -1.442 204 HA TYR 28 HA TYR 28 -2.207 -2.509 -1.684 205 1HB TYR 28 2HB TYR 28 -2.490 -3.373 -3.932 206 2HB TYR 28 1HB TYR 28 -1.058 -2.354 -3.883 207 HD1 TYR 28 HD1 TYR 28 1.156 -3.307 -4.193 208 HD2 TYR 28 HD2 TYR 28 -2.305 -5.781 -4.267 209 HE1 TYR 28 HE1 TYR 28 2.477 -5.119 -5.211 210 HE2 TYR 28 HE2 TYR 28 -0.998 -7.598 -5.280 211 HH TYR 28 HH TYR 28 1.014 -7.927 -6.556 212 H ARG 29 H ARG 29 -3.903 -4.181 -2.114 213 HA ARG 29 HA ARG 29 -3.161 -6.858 -1.187 214 1HB ARG 29 2HB ARG 29 -3.976 -5.290 0.715 215 2HB ARG 29 1HB ARG 29 -5.564 -5.508 0.004 216 1HG ARG 29 2HG ARG 29 -5.645 -7.206 1.483 217 2HG ARG 29 1HG ARG 29 -4.813 -8.064 0.182 218 1HD ARG 29 2HD ARG 29 -3.697 -6.920 2.716 219 2HD ARG 29 1HD ARG 29 -3.540 -8.552 2.072 220 HE ARG 29 HE ARG 29 -2.292 -6.508 0.457 221 1HH1 ARG 29 2HH1 ARG 29 -1.880 -8.815 3.059 222 2HH1 ARG 29 1HH1 ARG 29 -0.134 -8.785 2.971 223 1HH2 ARG 29 1HH2 ARG 29 -0.011 -6.449 0.362 224 2HH2 ARG 29 2HH2 ARG 29 0.918 -7.454 1.437 225 H PHE 30 H PHE 30 -4.689 -8.471 -1.710 226 HA PHE 30 HA PHE 30 -6.301 -7.811 -4.043 227 1HB PHE 30 2HB PHE 30 -5.618 -10.462 -2.756 228 2HB PHE 30 1HB PHE 30 -6.632 -10.295 -4.184 229 HD1 PHE 30 HD1 PHE 30 -3.219 -10.019 -2.865 230 HD2 PHE 30 HD2 PHE 30 -5.682 -9.792 -6.329 231 HE1 PHE 30 HE1 PHE 30 -1.216 -10.089 -4.290 232 HE2 PHE 30 HE2 PHE 30 -3.682 -9.861 -7.759 233 HZ PHE 30 HZ PHE 30 -1.446 -10.011 -6.741 234 H VAL 31 H VAL 31 -8.186 -6.892 -3.478 235 HA VAL 31 HA VAL 31 -9.466 -7.591 -1.004 236 HB VAL 31 HB VAL 31 -11.214 -5.942 -1.674 237 1HG1 VAL 31 1HG1 VAL 31 -9.761 -3.990 -1.426 238 2HG1 VAL 31 2HG1 VAL 31 -8.357 -4.990 -1.795 239 3HG1 VAL 31 3HG1 VAL 31 -9.294 -5.290 -0.331 240 1HG2 VAL 31 1HG2 VAL 31 -11.076 -6.149 -4.092 241 2HG2 VAL 31 2HG2 VAL 31 -9.421 -5.541 -4.070 242 3HG2 VAL 31 3HG2 VAL 31 -10.754 -4.485 -3.605 243 H ASP 32 H ASP 32 -10.165 -8.142 -4.439 244 HA ASP 32 HA ASP 32 -12.310 -9.949 -3.551 245 1HB ASP 32 2HB ASP 32 -13.097 -7.816 -4.678 246 2HB ASP 32 1HB ASP 32 -12.372 -8.423 -6.157 247 H ASN 33 H ASN 33 -11.191 -9.498 -6.883 248 HA ASN 33 HA ASN 33 -10.009 -12.191 -6.735 249 1HB ASN 33 2HB ASN 33 -11.971 -11.073 -8.681 250 2HB ASN 33 1HB ASN 33 -10.754 -12.191 -9.284 251 1HD2 ASN 33 1HD2 ASN 33 -13.489 -11.815 -7.136 252 2HD2 ASN 33 2HD2 ASN 33 -13.795 -13.513 -6.935 253 H ASN 34 H ASN 34 -10.181 -9.497 -9.063 254 HA ASN 34 HA ASN 34 -7.255 -9.740 -9.384 255 1HB ASN 34 2HB ASN 34 -9.382 -8.890 -11.356 256 2HB ASN 34 1HB ASN 34 -7.664 -8.620 -11.628 257 1HD2 ASN 34 1HD2 ASN 34 -9.642 -10.247 -13.074 258 2HD2 ASN 34 2HD2 ASN 34 -8.969 -11.845 -13.128 259 H GLU 35 H GLU 35 -9.653 -7.906 -8.086 260 HA GLU 35 HA GLU 35 -8.645 -5.297 -8.664 261 1HB GLU 35 2HB GLU 35 -10.529 -6.180 -6.469 262 2HB GLU 35 1HB GLU 35 -10.259 -4.526 -6.998 263 1HG GLU 35 2HG GLU 35 -12.152 -4.946 -8.151 264 2HG GLU 35 1HG GLU 35 -10.992 -5.553 -9.328 265 H ILE 36 H ILE 36 -6.812 -4.558 -7.908 266 HA ILE 36 HA ILE 36 -5.871 -5.475 -5.280 267 HB ILE 36 HB ILE 36 -3.659 -4.516 -5.970 268 1HG1 ILE 36 2HG1 ILE 36 -4.976 -4.339 -8.690 269 2HG1 ILE 36 1HG1 ILE 36 -4.498 -2.965 -7.700 270 1HG2 ILE 36 1HG2 ILE 36 -4.146 -6.905 -6.122 271 2HG2 ILE 36 2HG2 ILE 36 -3.065 -6.384 -7.413 272 3HG2 ILE 36 3HG2 ILE 36 -4.770 -6.674 -7.756 273 1HD1 ILE 36 1HD1 ILE 36 -2.154 -3.681 -7.884 274 2HD1 ILE 36 2HD1 ILE 36 -2.887 -3.348 -9.453 275 3HD1 ILE 36 3HD1 ILE 36 -2.663 -5.014 -8.921 276 H ASN 37 H ASN 37 -5.967 -4.153 -3.632 277 HA ASN 37 HA ASN 37 -6.642 -1.338 -4.119 278 1HB ASN 37 2HB ASN 37 -8.263 -2.568 -2.774 279 2HB ASN 37 1HB ASN 37 -6.994 -3.063 -1.659 280 1HD2 ASN 37 1HD2 ASN 37 -7.824 -2.123 0.147 281 2HD2 ASN 37 2HD2 ASN 37 -7.979 -0.415 0.358 282 H ILE 38 H ILE 38 -5.021 0.047 -3.959 283 HA ILE 38 HA ILE 38 -2.651 -0.496 -2.432 284 HB ILE 38 HB ILE 38 -3.621 1.996 -3.842 285 1HG1 ILE 38 2HG1 ILE 38 -1.497 1.560 -5.172 286 2HG1 ILE 38 1HG1 ILE 38 -1.401 0.010 -4.349 287 1HG2 ILE 38 1HG2 ILE 38 -1.451 3.025 -3.328 288 2HG2 ILE 38 2HG2 ILE 38 -1.055 1.656 -2.289 289 3HG2 ILE 38 3HG2 ILE 38 -2.399 2.720 -1.870 290 1HD1 ILE 38 1HD1 ILE 38 -2.376 -0.199 -6.562 291 2HD1 ILE 38 2HD1 ILE 38 -3.661 0.920 -6.110 292 3HD1 ILE 38 3HD1 ILE 38 -3.532 -0.645 -5.306 293 H ASP 39 H ASP 39 -2.635 -0.464 -0.306 294 HA ASP 39 HA ASP 39 -4.744 0.927 1.127 295 1HB ASP 39 2HB ASP 39 -4.274 -1.367 1.779 296 2HB ASP 39 1HB ASP 39 -2.589 -0.964 2.093 297 H HIS 40 H HIS 40 -1.199 0.699 1.450 298 HA HIS 40 HA HIS 40 -1.238 3.448 2.507 299 1HB HIS 40 2HB HIS 40 -0.857 1.771 4.301 300 2HB HIS 40 1HB HIS 40 0.546 1.174 3.425 301 HD1 HIS 40 HD1 HIS 40 -0.632 4.031 5.543 302 HD2 HIS 40 HD2 HIS 40 2.851 2.738 3.666 303 HE1 HIS 40 HE1 HIS 40 1.211 5.484 6.447 304 HE2 HIS 40 HE2 HIS 40 3.330 4.527 5.471 305 H THR 41 H THR 41 0.477 4.773 1.907 306 HA THR 41 HA THR 41 2.412 3.650 0.002 307 HB THR 41 HB THR 41 1.120 6.359 -0.340 308 HG1 THR 41 HG1 THR 41 0.360 3.804 -1.249 309 1HG2 THR 41 1HG2 THR 41 2.058 6.236 -2.589 310 2HG2 THR 41 2HG2 THR 41 2.736 4.648 -2.231 311 3HG2 THR 41 3HG2 THR 41 3.332 6.073 -1.379 312 H GLY 42 H GLY 42 3.972 3.621 1.641 313 1HA GLY 42 2HA GLY 42 4.549 6.002 3.172 314 2HA GLY 42 1HA GLY 42 5.444 4.490 3.203 315 H VAL 43 H VAL 43 4.764 7.058 0.821 316 HA VAL 43 HA VAL 43 7.584 6.983 0.036 317 HB VAL 43 HB VAL 43 5.211 8.364 -1.236 318 1HG1 VAL 43 1HG1 VAL 43 6.738 8.984 -3.054 319 2HG1 VAL 43 2HG1 VAL 43 8.095 8.344 -2.126 320 3HG1 VAL 43 3HG1 VAL 43 7.198 9.740 -1.529 321 1HG2 VAL 43 1HG2 VAL 43 6.942 6.098 -2.218 322 2HG2 VAL 43 2HG2 VAL 43 5.572 6.810 -3.069 323 3HG2 VAL 43 3HG2 VAL 43 5.312 5.932 -1.561 324 H SER 44 H SER 44 8.961 8.395 0.839 325 HA SER 44 HA SER 44 8.174 10.366 2.696 326 1HB SER 44 2HB SER 44 10.369 9.337 2.830 327 2HB SER 44 1HB SER 44 10.801 10.000 1.258 328 HG SER 44 HG SER 44 11.007 11.142 3.674 329 H ASP 45 H ASP 45 7.825 12.441 2.537 330 HA ASP 45 HA ASP 45 7.885 13.692 -0.129 331 1HB ASP 45 2HB ASP 45 6.245 15.286 0.737 332 2HB ASP 45 1HB ASP 45 5.668 13.644 1.007 333 H GLU 46 H GLU 46 9.545 13.414 2.678 334 HA GLU 46 HA GLU 46 10.466 16.169 2.874 335 1HB GLU 46 2HB GLU 46 11.331 13.725 4.433 336 2HB GLU 46 1HB GLU 46 11.644 15.407 4.850 337 1HG GLU 46 2HG GLU 46 9.399 15.805 5.392 338 2HG GLU 46 1HG GLU 46 8.858 14.324 4.602 339 H LEU 47 H LEU 47 11.175 13.375 1.209 340 HA LEU 47 HA LEU 47 13.973 13.383 1.011 341 1HB LEU 47 2HB LEU 47 12.619 11.514 0.263 342 2HB LEU 47 1HB LEU 47 11.848 12.516 -0.950 343 HG LEU 47 HG LEU 47 14.114 12.773 -2.031 344 1HD1 LEU 47 1HD1 LEU 47 15.816 11.115 -1.493 345 2HD1 LEU 47 2HD1 LEU 47 14.824 10.514 -0.164 346 3HD1 LEU 47 3HD1 LEU 47 15.481 12.150 -0.106 347 1HD2 LEU 47 1HD2 LEU 47 14.013 10.573 -3.107 348 2HD2 LEU 47 2HD2 LEU 47 12.413 11.290 -2.921 349 3HD2 LEU 47 3HD2 LEU 47 12.934 10.004 -1.831 350 H GLY 48 H GLY 48 11.603 14.617 -1.343 351 1HA GLY 48 2HA GLY 48 12.100 17.054 -1.959 352 2HA GLY 48 1HA GLY 48 13.689 16.425 -2.376 353 H GLY 49 H GLY 49 13.064 14.062 -3.616 354 1HA GLY 49 2HA GLY 49 11.749 15.050 -6.050 355 2HA GLY 49 1HA GLY 49 12.886 13.711 -5.973 356 H GLN 50 H GLN 50 9.757 14.415 -6.498 357 HA GLN 50 HA GLN 50 8.637 12.160 -5.028 358 1HB GLN 50 2HB GLN 50 7.340 14.285 -6.741 359 2HB GLN 50 1HB GLN 50 6.459 12.963 -5.990 360 1HG GLN 50 2HG GLN 50 6.168 14.839 -4.595 361 2HG GLN 50 1HG GLN 50 7.319 13.785 -3.775 362 1HE2 GLN 50 1HE2 GLN 50 8.232 15.419 -2.565 363 2HE2 GLN 50 2HE2 GLN 50 9.225 16.653 -3.258 364 H GLY 51 H GLY 51 10.323 12.415 -7.761 365 1HA GLY 51 2HA GLY 51 8.875 11.113 -9.756 366 2HA GLY 51 1HA GLY 51 10.618 11.014 -9.552 367 H VAL 52 H VAL 52 10.384 9.840 -6.882 368 HA VAL 52 HA VAL 52 10.454 7.121 -7.524 369 HB VAL 52 HB VAL 52 10.347 6.722 -5.056 370 1HG1 VAL 52 1HG1 VAL 52 12.268 8.860 -5.971 371 2HG1 VAL 52 2HG1 VAL 52 12.475 7.122 -6.175 372 3HG1 VAL 52 3HG1 VAL 52 12.474 7.825 -4.558 373 1HG2 VAL 52 1HG2 VAL 52 8.869 8.570 -4.453 374 2HG2 VAL 52 2HG2 VAL 52 10.113 9.729 -4.924 375 3HG2 VAL 52 3HG2 VAL 52 10.383 8.650 -3.554 376 H GLY 53 H GLY 53 7.796 9.176 -6.624 377 1HA GLY 53 2HA GLY 53 5.977 7.190 -5.774 378 2HA GLY 53 1HA GLY 53 5.549 8.778 -6.396 379 H LYS 54 H LYS 54 6.590 8.637 -8.953 380 HA LYS 54 HA LYS 54 4.574 7.012 -10.208 381 1HB LYS 54 2HB LYS 54 5.048 9.258 -11.058 382 2HB LYS 54 1HB LYS 54 6.701 8.787 -11.424 383 1HG LYS 54 2HG LYS 54 5.964 7.281 -13.133 384 2HG LYS 54 1HG LYS 54 4.275 7.518 -12.680 385 1HD LYS 54 2HD LYS 54 6.037 9.774 -13.611 386 2HD LYS 54 1HD LYS 54 5.093 8.784 -14.725 387 1HE LYS 54 2HE LYS 54 3.884 10.241 -12.382 388 2HE LYS 54 1HE LYS 54 4.023 10.953 -13.988 389 1HZ LYS 54 1HZ LYS 54 2.746 8.320 -13.709 390 2HZ LYS 54 2HZ LYS 54 2.464 9.540 -14.859 391 3HZ LYS 54 3HZ LYS 54 1.870 9.704 -13.285 392 H LYS 55 H LYS 55 7.966 6.756 -9.534 393 HA LYS 55 HA LYS 55 8.708 4.793 -11.397 394 1HB LYS 55 2HB LYS 55 9.637 5.268 -8.561 395 2HB LYS 55 1HB LYS 55 10.387 4.105 -9.644 396 1HG LYS 55 2HG LYS 55 10.167 7.052 -10.216 397 2HG LYS 55 1HG LYS 55 11.575 6.275 -9.490 398 1HD LYS 55 2HD LYS 55 11.855 4.895 -11.471 399 2HD LYS 55 1HD LYS 55 10.408 5.608 -12.189 400 1HE LYS 55 2HE LYS 55 11.461 7.776 -12.269 401 2HE LYS 55 1HE LYS 55 12.872 7.164 -11.408 402 1HZ LYS 55 1HZ LYS 55 13.165 7.365 -13.847 403 2HZ LYS 55 2HZ LYS 55 11.989 6.159 -14.053 404 3HZ LYS 55 3HZ LYS 55 13.439 5.800 -13.252 405 H LEU 56 H LEU 56 7.528 4.415 -8.066 406 HA LEU 56 HA LEU 56 7.218 1.596 -8.236 407 1HB LEU 56 2HB LEU 56 5.945 3.605 -6.374 408 2HB LEU 56 1HB LEU 56 5.864 1.868 -6.170 409 HG LEU 56 HG LEU 56 8.407 3.493 -6.118 410 1HD1 LEU 56 1HD1 LEU 56 8.385 3.053 -3.716 411 2HD1 LEU 56 2HD1 LEU 56 6.817 2.259 -3.873 412 3HD1 LEU 56 3HD1 LEU 56 6.970 3.983 -4.211 413 1HD2 LEU 56 1HD2 LEU 56 9.399 1.419 -5.238 414 2HD2 LEU 56 2HD2 LEU 56 8.781 1.214 -6.877 415 3HD2 LEU 56 3HD2 LEU 56 7.867 0.586 -5.504 416 H LEU 57 H LEU 57 5.077 4.334 -8.731 417 HA LEU 57 HA LEU 57 2.651 2.959 -8.863 418 1HB LEU 57 2HB LEU 57 3.130 5.485 -8.761 419 2HB LEU 57 1HB LEU 57 3.272 5.395 -10.506 420 HG LEU 57 HG LEU 57 0.954 4.579 -10.655 421 1HD1 LEU 57 1HD1 LEU 57 0.953 4.989 -7.666 422 2HD1 LEU 57 2HD1 LEU 57 0.797 3.450 -8.512 423 3HD1 LEU 57 3HD1 LEU 57 -0.474 4.665 -8.649 424 1HD2 LEU 57 1HD2 LEU 57 1.403 6.979 -10.813 425 2HD2 LEU 57 2HD2 LEU 57 1.265 7.124 -9.060 426 3HD2 LEU 57 3HD2 LEU 57 -0.143 6.675 -10.020 427 H LYS 58 H LYS 58 4.999 3.753 -11.407 428 HA LYS 58 HA LYS 58 3.502 2.711 -13.556 429 1HB LYS 58 2HB LYS 58 5.512 4.187 -13.787 430 2HB LYS 58 1HB LYS 58 6.516 2.816 -13.331 431 1HG LYS 58 2HG LYS 58 5.633 1.576 -15.290 432 2HG LYS 58 1HG LYS 58 4.764 3.034 -15.772 433 1HD LYS 58 2HD LYS 58 6.743 3.069 -17.035 434 2HD LYS 58 1HD LYS 58 7.033 4.203 -15.715 435 1HE LYS 58 2HE LYS 58 8.998 2.956 -15.812 436 2HE LYS 58 1HE LYS 58 8.093 2.204 -14.500 437 1HZ LYS 58 1HZ LYS 58 9.048 0.539 -15.943 438 2HZ LYS 58 2HZ LYS 58 8.278 1.206 -17.296 439 3HZ LYS 58 3HZ LYS 58 7.357 0.480 -16.070 440 H ALA 59 H ALA 59 5.857 1.258 -11.359 441 HA ALA 59 HA ALA 59 6.080 -1.239 -12.617 442 1HB ALA 59 1HB ALA 59 6.928 -2.049 -10.481 443 2HB ALA 59 2HB ALA 59 6.311 -0.608 -9.674 444 3HB ALA 59 3HB ALA 59 7.607 -0.466 -10.861 445 H VAL 60 H VAL 60 3.797 -0.030 -10.207 446 HA VAL 60 HA VAL 60 2.423 -2.467 -9.791 447 HB VAL 60 HB VAL 60 1.414 0.367 -9.476 448 1HG1 VAL 60 1HG1 VAL 60 0.312 -2.229 -8.404 449 2HG1 VAL 60 2HG1 VAL 60 -0.436 -1.196 -9.622 450 3HG1 VAL 60 3HG1 VAL 60 -0.261 -0.620 -7.964 451 1HG2 VAL 60 1HG2 VAL 60 3.386 -0.114 -8.111 452 2HG2 VAL 60 2HG2 VAL 60 2.582 -1.536 -7.444 453 3HG2 VAL 60 3HG2 VAL 60 1.946 0.076 -7.112 454 H VAL 61 H VAL 61 1.664 0.345 -11.842 455 HA VAL 61 HA VAL 61 -0.673 -0.652 -13.012 456 HB VAL 61 HB VAL 61 1.365 1.275 -14.148 457 1HG1 VAL 61 1HG1 VAL 61 -0.014 0.317 -15.932 458 2HG1 VAL 61 2HG1 VAL 61 -0.393 2.019 -15.669 459 3HG1 VAL 61 3HG1 VAL 61 -1.471 0.769 -15.049 460 1HG2 VAL 61 1HG2 VAL 61 -0.217 2.995 -13.405 461 2HG2 VAL 61 2HG2 VAL 61 0.373 2.024 -12.057 462 3HG2 VAL 61 3HG2 VAL 61 -1.243 1.743 -12.704 463 H GLU 62 H GLU 62 2.686 -0.850 -14.103 464 HA GLU 62 HA GLU 62 2.248 -2.111 -16.561 465 1HB GLU 62 2HB GLU 62 4.372 -1.023 -15.585 466 2HB GLU 62 1HB GLU 62 4.662 -2.581 -14.828 467 1HG GLU 62 2HG GLU 62 4.717 -3.649 -17.007 468 2HG GLU 62 1HG GLU 62 4.384 -2.100 -17.783 469 H HIS 63 H HIS 63 2.970 -3.469 -13.360 470 HA HIS 63 HA HIS 63 2.940 -6.176 -14.222 471 1HB HIS 63 2HB HIS 63 4.141 -5.428 -12.215 472 2HB HIS 63 1HB HIS 63 2.610 -5.016 -11.451 473 HD1 HIS 63 HD1 HIS 63 3.988 -8.164 -13.112 474 HD2 HIS 63 HD2 HIS 63 1.927 -6.941 -9.707 475 HE1 HIS 63 HE1 HIS 63 3.589 -10.256 -11.761 476 HE2 HIS 63 HE2 HIS 63 2.174 -9.512 -9.807 477 H ALA 64 H ALA 64 0.501 -3.974 -13.009 478 HA ALA 64 HA ALA 64 -1.526 -5.880 -12.515 479 1HB ALA 64 1HB ALA 64 -3.078 -3.992 -12.637 480 2HB ALA 64 2HB ALA 64 -1.796 -2.980 -13.304 481 3HB ALA 64 3HB ALA 64 -1.663 -3.602 -11.659 482 H ARG 65 H ARG 65 -0.633 -4.004 -15.382 483 HA ARG 65 HA ARG 65 -2.747 -4.848 -17.033 484 1HB ARG 65 2HB ARG 65 -1.188 -2.941 -17.506 485 2HB ARG 65 1HB ARG 65 0.051 -4.118 -17.919 486 1HG ARG 65 2HG ARG 65 -0.947 -3.315 -19.938 487 2HG ARG 65 1HG ARG 65 -1.450 -4.990 -19.697 488 1HD ARG 65 2HD ARG 65 -3.551 -4.099 -18.644 489 2HD ARG 65 1HD ARG 65 -3.051 -2.495 -19.175 490 HE ARG 65 HE ARG 65 -3.069 -4.348 -21.337 491 1HH1 ARG 65 2HH1 ARG 65 -5.098 -2.237 -19.413 492 2HH1 ARG 65 1HH1 ARG 65 -6.411 -2.247 -20.556 493 1HH2 ARG 65 1HH2 ARG 65 -4.771 -4.328 -22.856 494 2HH2 ARG 65 2HH2 ARG 65 -6.208 -3.403 -22.522 495 H GLU 66 H GLU 66 0.343 -6.311 -16.237 496 HA GLU 66 HA GLU 66 0.431 -8.326 -18.178 497 1HB GLU 66 2HB GLU 66 1.386 -8.492 -15.313 498 2HB GLU 66 1HB GLU 66 1.876 -9.552 -16.625 499 1HG GLU 66 2HG GLU 66 2.878 -7.607 -17.767 500 2HG GLU 66 1HG GLU 66 2.470 -6.616 -16.363 501 H ASN 67 H ASN 67 -1.022 -8.329 -14.940 502 HA ASN 67 HA ASN 67 -2.004 -11.048 -15.417 503 1HB ASN 67 2HB ASN 67 -1.662 -9.427 -12.895 504 2HB ASN 67 1HB ASN 67 -2.488 -10.984 -12.929 505 1HD2 ASN 67 1HD2 ASN 67 0.570 -9.349 -13.324 506 2HD2 ASN 67 2HD2 ASN 67 1.565 -10.764 -13.209 507 H ASN 68 H ASN 68 -3.141 -8.226 -16.188 508 HA ASN 68 HA ASN 68 -5.190 -7.339 -16.606 509 1HB ASN 68 2HB ASN 68 -5.550 -9.678 -17.487 510 2HB ASN 68 1HB ASN 68 -6.281 -10.081 -15.937 511 1HD2 ASN 68 1HD2 ASN 68 -8.260 -10.549 -16.889 512 2HD2 ASN 68 2HD2 ASN 68 -9.301 -9.303 -17.501 513 H LEU 69 H LEU 69 -4.142 -6.996 -14.039 514 HA LEU 69 HA LEU 69 -6.245 -7.459 -12.103 515 1HB LEU 69 2HB LEU 69 -3.641 -5.947 -11.838 516 2HB LEU 69 1HB LEU 69 -4.709 -6.388 -10.519 517 HG LEU 69 HG LEU 69 -3.216 -8.343 -12.273 518 1HD1 LEU 69 1HD1 LEU 69 -2.714 -7.465 -9.435 519 2HD1 LEU 69 2HD1 LEU 69 -1.706 -7.102 -10.837 520 3HD1 LEU 69 3HD1 LEU 69 -1.870 -8.766 -10.274 521 1HD2 LEU 69 1HD2 LEU 69 -3.944 -10.006 -10.625 522 2HD2 LEU 69 2HD2 LEU 69 -5.313 -9.261 -11.452 523 3HD2 LEU 69 3HD2 LEU 69 -4.902 -8.772 -9.807 524 H LYS 70 H LYS 70 -7.337 -5.810 -10.975 525 HA LYS 70 HA LYS 70 -7.576 -3.304 -12.495 526 1HB LYS 70 2HB LYS 70 -9.544 -4.831 -10.805 527 2HB LYS 70 1HB LYS 70 -9.777 -3.122 -11.138 528 1HG LYS 70 2HG LYS 70 -11.064 -4.378 -12.707 529 2HG LYS 70 1HG LYS 70 -9.714 -3.641 -13.566 530 1HD LYS 70 2HD LYS 70 -8.497 -5.807 -13.375 531 2HD LYS 70 1HD LYS 70 -9.956 -6.512 -12.676 532 1HE LYS 70 2HE LYS 70 -11.197 -5.953 -14.715 533 2HE LYS 70 1HE LYS 70 -9.735 -5.259 -15.411 534 1HZ LYS 70 1HZ LYS 70 -10.172 -8.104 -14.678 535 2HZ LYS 70 2HZ LYS 70 -8.695 -7.471 -15.211 536 3HZ LYS 70 3HZ LYS 70 -10.041 -7.469 -16.245 537 H ILE 71 H ILE 71 -6.926 -1.480 -11.583 538 HA ILE 71 HA ILE 71 -5.779 -1.696 -8.911 539 HB ILE 71 HB ILE 71 -5.450 0.488 -10.974 540 1HG1 ILE 71 2HG1 ILE 71 -3.618 -1.790 -10.191 541 2HG1 ILE 71 1HG1 ILE 71 -4.501 -1.651 -11.706 542 1HG2 ILE 71 1HG2 ILE 71 -3.583 1.236 -9.577 543 2HG2 ILE 71 2HG2 ILE 71 -3.965 -0.014 -8.395 544 3HG2 ILE 71 3HG2 ILE 71 -5.109 1.294 -8.695 545 1HD1 ILE 71 1HD1 ILE 71 -2.337 0.210 -10.760 546 2HD1 ILE 71 2HD1 ILE 71 -3.212 0.327 -12.287 547 3HD1 ILE 71 3HD1 ILE 71 -2.163 -1.055 -11.975 548 H ILE 72 H ILE 72 -6.848 -1.018 -7.228 549 HA ILE 72 HA ILE 72 -8.287 1.545 -7.413 550 HB ILE 72 HB ILE 72 -9.806 0.764 -5.589 551 1HG1 ILE 72 2HG1 ILE 72 -8.696 -1.969 -6.256 552 2HG1 ILE 72 1HG1 ILE 72 -8.369 -1.079 -4.774 553 1HG2 ILE 72 1HG2 ILE 72 -9.927 -0.822 -8.146 554 2HG2 ILE 72 2HG2 ILE 72 -10.564 0.803 -7.893 555 3HG2 ILE 72 3HG2 ILE 72 -11.270 -0.566 -7.032 556 1HD1 ILE 72 1HD1 ILE 72 -10.051 -2.789 -4.428 557 2HD1 ILE 72 2HD1 ILE 72 -11.061 -2.063 -5.678 558 3HD1 ILE 72 3HD1 ILE 72 -10.731 -1.179 -4.188 559 H ALA 73 H ALA 73 -8.224 2.776 -5.353 560 HA ALA 73 HA ALA 73 -6.018 1.951 -3.620 561 1HB ALA 73 1HB ALA 73 -4.866 4.066 -3.849 562 2HB ALA 73 2HB ALA 73 -6.084 4.636 -4.988 563 3HB ALA 73 3HB ALA 73 -5.028 3.295 -5.428 564 H SER 74 H SER 74 -6.520 2.221 -1.570 565 HA SER 74 HA SER 74 -8.677 3.984 -0.779 566 1HB SER 74 2HB SER 74 -6.798 2.331 0.935 567 2HB SER 74 1HB SER 74 -8.292 3.099 1.468 568 HG SER 74 HG SER 74 -8.347 1.292 -0.690 569 H CYS 75 H CYS 75 -5.231 3.944 -0.923 570 HA CYS 75 HA CYS 75 -4.798 6.260 0.710 571 1HB CYS 75 2HB CYS 75 -3.007 4.655 0.447 572 2HB CYS 75 1HB CYS 75 -3.058 4.818 -1.305 573 HG CYS 75 HG CYS 75 -0.778 6.102 -0.715 574 H SER 76 H SER 76 -5.644 8.149 0.087 575 HA SER 76 HA SER 76 -6.448 8.765 -2.523 576 1HB SER 76 2HB SER 76 -5.874 10.700 -0.269 577 2HB SER 76 1HB SER 76 -6.913 10.984 -1.667 578 HG SER 76 HG SER 76 -8.448 9.778 -0.809 579 H PHE 77 H PHE 77 -3.415 9.269 -0.872 580 HA PHE 77 HA PHE 77 -2.259 11.194 -2.540 581 1HB PHE 77 2HB PHE 77 -1.257 10.506 -0.411 582 2HB PHE 77 1HB PHE 77 -0.933 8.905 -1.065 583 HD1 PHE 77 HD1 PHE 77 1.099 8.461 -2.091 584 HD2 PHE 77 HD2 PHE 77 -0.148 12.500 -1.606 585 HE1 PHE 77 HE1 PHE 77 3.300 9.231 -2.878 586 HE2 PHE 77 HE2 PHE 77 2.049 13.278 -2.392 587 HZ PHE 77 HZ PHE 77 3.775 11.641 -3.027 588 H ALA 78 H ALA 78 -2.037 7.642 -2.699 589 HA ALA 78 HA ALA 78 -0.692 7.651 -5.218 590 1HB ALA 78 1HB ALA 78 -0.452 5.806 -3.618 591 2HB ALA 78 2HB ALA 78 -1.016 5.245 -5.191 592 3HB ALA 78 3HB ALA 78 -2.151 5.391 -3.849 593 H LYS 79 H LYS 79 -4.029 7.354 -4.163 594 HA LYS 79 HA LYS 79 -5.207 6.497 -6.531 595 1HB LYS 79 2HB LYS 79 -6.456 6.564 -4.457 596 2HB LYS 79 1HB LYS 79 -6.314 8.316 -4.383 597 1HG LYS 79 2HG LYS 79 -7.710 8.539 -6.348 598 2HG LYS 79 1HG LYS 79 -7.790 6.785 -6.517 599 1HD LYS 79 2HD LYS 79 -8.936 6.615 -4.375 600 2HD LYS 79 1HD LYS 79 -8.820 8.362 -4.159 601 1HE LYS 79 2HE LYS 79 -10.237 7.042 -6.468 602 2HE LYS 79 1HE LYS 79 -11.044 7.529 -4.980 603 1HZ LYS 79 1HZ LYS 79 -9.667 9.312 -6.925 604 2HZ LYS 79 2HZ LYS 79 -10.271 9.819 -5.427 605 3HZ LYS 79 3HZ LYS 79 -11.333 9.227 -6.610 606 H HIS 80 H HIS 80 -4.562 9.830 -5.430 607 HA HIS 80 HA HIS 80 -5.825 10.963 -7.726 608 1HB HIS 80 2HB HIS 80 -5.582 12.111 -5.488 609 2HB HIS 80 1HB HIS 80 -3.889 12.383 -5.894 610 HD1 HIS 80 HD1 HIS 80 -7.370 13.430 -6.865 611 HD2 HIS 80 HD2 HIS 80 -3.420 14.417 -7.743 612 HE1 HIS 80 HE1 HIS 80 -7.478 15.553 -8.212 613 HE2 HIS 80 HE2 HIS 80 -5.078 16.157 -8.700 614 H MET 81 H MET 81 -2.617 9.820 -7.080 615 HA MET 81 HA MET 81 -1.365 11.203 -9.247 616 1HB MET 81 2HB MET 81 -0.578 8.711 -7.737 617 2HB MET 81 1HB MET 81 0.394 9.394 -9.032 618 1HG MET 81 2HG MET 81 0.442 11.532 -7.705 619 2HG MET 81 1HG MET 81 -0.268 10.621 -6.373 620 1HE MET 81 1HE MET 81 0.963 8.519 -5.212 621 2HE MET 81 2HE MET 81 2.526 7.907 -5.753 622 3HE MET 81 3HE MET 81 1.118 7.779 -6.806 623 H LEU 82 H LEU 82 -2.916 8.070 -8.850 624 HA LEU 82 HA LEU 82 -2.553 7.196 -11.542 625 1HB LEU 82 2HB LEU 82 -4.486 6.414 -9.362 626 2HB LEU 82 1HB LEU 82 -4.469 5.640 -10.933 627 HG LEU 82 HG LEU 82 -2.023 5.709 -9.184 628 1HD1 LEU 82 1HD1 LEU 82 -2.655 3.473 -8.407 629 2HD1 LEU 82 2HD1 LEU 82 -4.205 3.627 -9.235 630 3HD1 LEU 82 3HD1 LEU 82 -3.815 4.694 -7.886 631 1HD2 LEU 82 1HD2 LEU 82 -1.433 3.738 -10.513 632 2HD2 LEU 82 2HD2 LEU 82 -1.689 5.155 -11.531 633 3HD2 LEU 82 3HD2 LEU 82 -2.933 3.907 -11.427 634 H GLU 83 H GLU 83 -4.898 9.101 -9.838 635 HA GLU 83 HA GLU 83 -6.951 9.015 -11.808 636 1HB GLU 83 2HB GLU 83 -7.110 9.486 -9.291 637 2HB GLU 83 1HB GLU 83 -6.605 11.120 -9.687 638 1HG GLU 83 2HG GLU 83 -8.574 11.323 -11.167 639 2HG GLU 83 1HG GLU 83 -9.088 9.719 -10.641 640 H LYS 84 H LYS 84 -4.211 11.092 -11.192 641 HA LYS 84 HA LYS 84 -5.113 13.178 -12.956 642 1HB LYS 84 2HB LYS 84 -3.712 13.760 -11.057 643 2HB LYS 84 1HB LYS 84 -2.438 12.694 -11.630 644 1HG LYS 84 2HG LYS 84 -1.907 15.010 -12.099 645 2HG LYS 84 1HG LYS 84 -2.133 14.106 -13.598 646 1HD LYS 84 2HD LYS 84 -4.547 14.964 -13.524 647 2HD LYS 84 1HD LYS 84 -3.964 16.112 -12.315 648 1HE LYS 84 2HE LYS 84 -3.931 17.118 -14.526 649 2HE LYS 84 1HE LYS 84 -2.289 16.924 -13.915 650 1HZ LYS 84 1HZ LYS 84 -2.064 14.922 -15.259 651 2HZ LYS 84 2HZ LYS 84 -2.436 16.259 -16.229 652 3HZ LYS 84 3HZ LYS 84 -3.640 15.122 -15.859 653 H GLU 85 H GLU 85 -3.197 10.288 -13.222 654 HA GLU 85 HA GLU 85 -2.118 11.098 -15.801 655 1HB GLU 85 2HB GLU 85 -0.741 9.841 -14.110 656 2HB GLU 85 1HB GLU 85 -1.782 8.451 -14.391 657 1HG GLU 85 2HG GLU 85 0.133 8.118 -15.706 658 2HG GLU 85 1HG GLU 85 -1.143 8.605 -16.819 659 H ASP 86 H ASP 86 -3.520 11.005 -17.400 660 HA ASP 86 HA ASP 86 -5.851 9.478 -17.476 661 1HB ASP 86 2HB ASP 86 -4.329 10.596 -19.838 662 2HB ASP 86 1HB ASP 86 -6.034 10.162 -19.804 663 H SER 87 H SER 87 -2.613 8.707 -18.378 664 HA SER 87 HA SER 87 -3.248 6.628 -20.218 665 1HB SER 87 2HB SER 87 -0.636 7.121 -18.787 666 2HB SER 87 1HB SER 87 -0.872 6.241 -20.297 667 HG SER 87 HG SER 87 -0.225 8.277 -20.850 668 H TYR 88 H TYR 88 -3.645 6.656 -16.928 669 HA TYR 88 HA TYR 88 -2.856 3.834 -16.650 670 1HB TYR 88 2HB TYR 88 -3.548 5.855 -14.511 671 2HB TYR 88 1HB TYR 88 -3.121 4.177 -14.209 672 HD1 TYR 88 HD1 TYR 88 -0.944 4.458 -16.623 673 HD2 TYR 88 HD2 TYR 88 -1.714 6.452 -12.944 674 HE1 TYR 88 HE1 TYR 88 1.424 5.113 -16.485 675 HE2 TYR 88 HE2 TYR 88 0.648 7.111 -12.800 676 HH TYR 88 HH TYR 88 2.807 6.812 -15.434 677 H GLN 89 H GLN 89 -5.514 5.544 -17.495 678 HA GLN 89 HA GLN 89 -7.442 4.315 -15.730 679 1HB GLN 89 2HB GLN 89 -7.668 6.228 -18.032 680 2HB GLN 89 1HB GLN 89 -9.093 5.489 -17.316 681 1HG GLN 89 2HG GLN 89 -8.403 6.410 -15.119 682 2HG GLN 89 1HG GLN 89 -7.086 7.251 -15.937 683 1HE2 GLN 89 1HE2 GLN 89 -7.544 8.991 -17.245 684 2HE2 GLN 89 2HE2 GLN 89 -9.069 9.798 -17.233 685 H ASP 90 H ASP 90 -5.845 2.589 -17.614 686 HA ASP 90 HA ASP 90 -8.169 1.272 -18.849 687 1HB ASP 90 2HB ASP 90 -6.567 -0.059 -20.163 688 2HB ASP 90 1HB ASP 90 -6.366 1.666 -20.444 689 H VAL 91 H VAL 91 -5.816 1.066 -16.366 690 HA VAL 91 HA VAL 91 -6.922 -1.552 -15.586 691 HB VAL 91 HB VAL 91 -4.803 -1.858 -14.236 692 1HG1 VAL 91 1HG1 VAL 91 -3.480 -2.604 -16.181 693 2HG1 VAL 91 2HG1 VAL 91 -4.589 -1.733 -17.240 694 3HG1 VAL 91 3HG1 VAL 91 -5.171 -3.092 -16.279 695 1HG2 VAL 91 1HG2 VAL 91 -4.044 0.461 -14.252 696 2HG2 VAL 91 2HG2 VAL 91 -3.822 0.384 -16.000 697 3HG2 VAL 91 3HG2 VAL 91 -2.824 -0.611 -14.938 698 H TYR 92 H TYR 92 -5.954 1.663 -14.565 699 HA TYR 92 HA TYR 92 -6.813 1.255 -11.846 700 1HB TYR 92 2HB TYR 92 -5.080 2.851 -12.090 701 2HB TYR 92 1HB TYR 92 -5.904 3.661 -13.418 702 HD1 TYR 92 HD1 TYR 92 -6.882 5.676 -12.967 703 HD2 TYR 92 HD2 TYR 92 -6.518 2.859 -9.801 704 HE1 TYR 92 HE1 TYR 92 -7.847 7.311 -11.410 705 HE2 TYR 92 HE2 TYR 92 -7.482 4.491 -8.233 706 HH TYR 92 HH TYR 92 -8.926 7.445 -9.308 707 H LEU 93 H LEU 93 -8.813 1.523 -11.065 708 HA LEU 93 HA LEU 93 -10.917 2.077 -12.962 709 1HB LEU 93 2HB LEU 93 -11.046 1.308 -10.048 710 2HB LEU 93 1HB LEU 93 -12.436 1.464 -11.105 711 HG LEU 93 HG LEU 93 -10.204 -0.548 -11.395 712 1HD1 LEU 93 1HD1 LEU 93 -11.935 -2.189 -10.867 713 2HD1 LEU 93 2HD1 LEU 93 -13.098 -0.886 -10.622 714 3HD1 LEU 93 3HD1 LEU 93 -11.707 -1.042 -9.547 715 1HD2 LEU 93 1HD2 LEU 93 -11.012 0.113 -13.579 716 2HD2 LEU 93 2HD2 LEU 93 -12.682 -0.118 -13.060 717 3HD2 LEU 93 3HD2 LEU 93 -11.599 -1.504 -13.190 718 H GLY 94 H GLY 94 -9.923 4.343 -13.091 719 1HA GLY 94 2HA GLY 94 -11.168 6.126 -11.109 720 2HA GLY 94 1HA GLY 94 -10.005 6.605 -12.342 721 H LEU 95 H LEU 95 -12.045 4.521 -13.737 722 HA LEU 95 HA LEU 95 -13.501 6.629 -15.107 723 1HB LEU 95 2HB LEU 95 -14.177 4.614 -16.567 724 2HB LEU 95 1HB LEU 95 -12.520 5.181 -16.634 725 HG LEU 95 HG LEU 95 -11.981 3.332 -14.946 726 1HD1 LEU 95 1HD1 LEU 95 -13.489 1.397 -14.969 727 2HD1 LEU 95 2HD1 LEU 95 -14.679 2.349 -15.857 728 3HD1 LEU 95 3HD1 LEU 95 -14.231 2.808 -14.214 729 1HD2 LEU 95 1HD2 LEU 95 -11.316 3.232 -17.278 730 2HD2 LEU 95 2HD2 LEU 95 -12.897 2.585 -17.716 731 3HD2 LEU 95 3HD2 LEU 95 -11.808 1.640 -16.700 732 H GLU 96 H GLU 96 -14.255 6.053 -12.428 733 HA GLU 96 HA GLU 96 -16.206 4.113 -12.119 734 1HB GLU 96 2HB GLU 96 -16.953 5.717 -10.176 735 2HB GLU 96 1HB GLU 96 -15.438 4.835 -10.104 736 1HG GLU 96 2HG GLU 96 -14.979 7.025 -9.374 737 2HG GLU 96 1HG GLU 96 -14.315 6.898 -11.003 738 H HIS 97 H HIS 97 -16.724 7.593 -12.837 739 HA HIS 97 HA HIS 97 -18.624 7.146 -14.778 740 1HB HIS 97 2HB HIS 97 -20.778 7.650 -13.774 741 2HB HIS 97 1HB HIS 97 -20.090 6.212 -13.041 742 HD1 HIS 97 HD1 HIS 97 -21.333 9.609 -12.258 743 HD2 HIS 97 HD2 HIS 97 -19.246 6.562 -10.335 744 HE1 HIS 97 HE1 HIS 97 -21.442 10.149 -9.802 745 HE2 HIS 97 HE2 HIS 97 -20.393 8.162 -8.664 746 H HIS 98 H HIS 98 -17.538 9.358 -12.225 747 HA HIS 98 HA HIS 98 -18.730 11.545 -13.766 748 1HB HIS 98 2HB HIS 98 -18.742 12.894 -11.875 749 2HB HIS 98 1HB HIS 98 -19.124 11.306 -11.243 750 HD1 HIS 98 HD1 HIS 98 -16.955 10.051 -10.064 751 HD2 HIS 98 HD2 HIS 98 -16.771 14.176 -10.562 752 HE1 HIS 98 HE1 HIS 98 -15.217 10.858 -8.441 753 HE2 HIS 98 HE2 HIS 98 -15.341 13.365 -8.568 754 H HIS 99 H HIS 99 -15.620 10.312 -12.733 755 HA HIS 99 HA HIS 99 -13.468 10.895 -13.267 756 1HB HIS 99 2HB HIS 99 -14.544 12.295 -15.709 757 2HB HIS 99 1HB HIS 99 -13.016 11.449 -15.523 758 HD1 HIS 99 HD1 HIS 99 -16.224 11.102 -16.996 759 HD2 HIS 99 HD2 HIS 99 -13.533 8.482 -15.207 760 HE1 HIS 99 HE1 HIS 99 -16.897 8.808 -17.774 761 HE2 HIS 99 HE2 HIS 99 -15.105 7.277 -16.889 762 H HIS 100 H HIS 100 -12.347 13.091 -14.573 763 HA HIS 100 HA HIS 100 -11.831 15.298 -14.501 764 1HB HIS 100 2HB HIS 100 -14.123 15.560 -15.347 765 2HB HIS 100 1HB HIS 100 -14.739 15.591 -13.704 766 HD1 HIS 100 HD1 HIS 100 -13.154 17.718 -16.306 767 HD2 HIS 100 HD2 HIS 100 -14.293 18.022 -12.317 768 HE1 HIS 100 HE1 HIS 100 -13.131 20.179 -15.773 769 HE2 HIS 100 HE2 HIS 100 -14.094 20.338 -13.448 770 H HIS 101 H HIS 101 -14.210 15.478 -11.916 771 HA HIS 101 HA HIS 101 -12.606 15.332 -9.666 772 1HB HIS 101 2HB HIS 101 -11.525 17.371 -10.854 773 2HB HIS 101 1HB HIS 101 -13.002 18.233 -10.436 774 HD1 HIS 101 HD1 HIS 101 -12.746 19.564 -8.385 775 HD2 HIS 101 HD2 HIS 101 -10.389 16.136 -8.305 776 HE1 HIS 101 HE1 HIS 101 -11.469 19.666 -6.217 777 HE2 HIS 101 HE2 HIS 101 -9.886 17.699 -6.304 778 H HIS 102 HN HIS 102 -14.990 17.446 -11.167 779 HA HIS 102 HA HIS 102 -16.978 16.617 -9.171 780 1HB HIS 102 2HB HIS 102 -16.837 19.031 -9.279 781 2HB HIS 102 1HB HIS 102 -16.909 19.008 -11.038 782 HD1 HIS 102 HD1 HIS 102 -19.223 18.712 -12.133 783 HD2 HIS 102 HD2 HIS 102 -19.305 18.655 -7.976 784 HE1 HIS 102 HE1 HIS 102 -21.646 18.919 -11.501 785 HE2 HIS 102 HE2 HIS 102 -21.681 18.657 -8.994 Start of MODEL 9 1 1H MET 1 1H MET 1 22.679 -1.872 -5.129 2 2H MET 1 2H MET 1 22.635 -2.922 -6.458 3 3H MET 1 3H MET 1 21.411 -1.771 -6.257 4 HA MET 1 HA MET 1 24.266 -1.253 -6.862 5 1HB MET 1 2HB MET 1 22.940 -2.044 -8.773 6 2HB MET 1 1HB MET 1 21.751 -0.784 -8.477 7 1HG MET 1 2HG MET 1 23.414 0.921 -8.978 8 2HG MET 1 1HG MET 1 24.628 -0.327 -9.242 9 1HE MET 1 1HE MET 1 21.237 1.206 -10.496 10 2HE MET 1 2HE MET 1 20.829 -0.501 -10.314 11 3HE MET 1 3HE MET 1 20.900 0.222 -11.920 12 H SER 2 H SER 2 21.060 0.305 -6.577 13 HA SER 2 HA SER 2 22.440 2.722 -5.596 14 1HB SER 2 2HB SER 2 19.637 2.868 -6.575 15 2HB SER 2 1HB SER 2 20.960 4.017 -6.778 16 HG SER 2 HG SER 2 20.410 1.653 -8.227 17 H ASN 3 H ASN 3 20.344 4.058 -4.446 18 HA ASN 3 HA ASN 3 19.505 2.281 -2.278 19 1HB ASN 3 2HB ASN 3 18.938 4.317 -1.044 20 2HB ASN 3 1HB ASN 3 20.599 4.379 -1.618 21 1HD2 ASN 3 1HD2 ASN 3 18.824 6.532 -0.827 22 2HD2 ASN 3 2HD2 ASN 3 18.718 7.594 -2.200 23 H LEU 4 H LEU 4 18.308 3.922 -5.036 24 HA LEU 4 HA LEU 4 15.539 3.730 -4.185 25 1HB LEU 4 2HB LEU 4 14.975 4.832 -6.279 26 2HB LEU 4 1HB LEU 4 16.202 5.729 -5.412 27 HG LEU 4 HG LEU 4 16.985 3.856 -7.628 28 1HD1 LEU 4 1HD1 LEU 4 16.121 6.731 -7.933 29 2HD1 LEU 4 2HD1 LEU 4 15.256 5.322 -8.546 30 3HD1 LEU 4 3HD1 LEU 4 16.846 5.729 -9.189 31 1HD2 LEU 4 1HD2 LEU 4 18.189 6.383 -6.498 32 2HD2 LEU 4 2HD2 LEU 4 18.847 5.447 -7.840 33 3HD2 LEU 4 3HD2 LEU 4 18.764 4.738 -6.227 34 H GLU 5 H GLU 5 17.057 1.312 -4.475 35 HA GLU 5 HA GLU 5 16.351 -0.052 -6.865 36 1HB GLU 5 2HB GLU 5 16.849 -1.289 -4.151 37 2HB GLU 5 1HB GLU 5 17.034 -2.056 -5.720 38 1HG GLU 5 2HG GLU 5 18.682 0.299 -4.877 39 2HG GLU 5 1HG GLU 5 19.140 -1.360 -4.510 40 H ILE 6 H ILE 6 14.405 -0.801 -7.452 41 HA ILE 6 HA ILE 6 12.143 -0.671 -5.705 42 HB ILE 6 HB ILE 6 12.352 -2.010 -8.413 43 1HG1 ILE 6 2HG1 ILE 6 11.455 0.799 -7.703 44 2HG1 ILE 6 1HG1 ILE 6 12.970 0.384 -8.497 45 1HG2 ILE 6 1HG2 ILE 6 9.946 -1.056 -6.859 46 2HG2 ILE 6 2HG2 ILE 6 10.417 -2.735 -7.111 47 3HG2 ILE 6 3HG2 ILE 6 9.920 -1.743 -8.481 48 1HD1 ILE 6 1HD1 ILE 6 11.329 1.199 -10.094 49 2HD1 ILE 6 2HD1 ILE 6 10.212 -0.077 -9.612 50 3HD1 ILE 6 3HD1 ILE 6 11.729 -0.490 -10.410 51 H LYS 7 H LYS 7 12.020 -2.062 -4.066 52 HA LYS 7 HA LYS 7 12.840 -4.848 -4.493 53 1HB LYS 7 2HB LYS 7 12.300 -3.320 -1.939 54 2HB LYS 7 1HB LYS 7 12.803 -5.001 -2.021 55 1HG LYS 7 2HG LYS 7 14.919 -4.368 -2.995 56 2HG LYS 7 1HG LYS 7 14.416 -2.678 -3.054 57 1HD LYS 7 2HD LYS 7 14.336 -2.562 -0.652 58 2HD LYS 7 1HD LYS 7 14.640 -4.295 -0.520 59 1HE LYS 7 2HE LYS 7 16.659 -3.039 -0.059 60 2HE LYS 7 1HE LYS 7 16.843 -3.985 -1.534 61 1HZ LYS 7 1HZ LYS 7 17.723 -1.908 -2.030 62 2HZ LYS 7 2HZ LYS 7 16.474 -1.063 -1.255 63 3HZ LYS 7 3HZ LYS 7 16.179 -1.861 -2.720 64 H GLN 8 H GLN 8 11.400 -6.508 -4.304 65 HA GLN 8 HA GLN 8 8.584 -5.743 -4.051 66 1HB GLN 8 2HB GLN 8 8.083 -7.948 -5.045 67 2HB GLN 8 1HB GLN 8 9.126 -6.978 -6.074 68 1HG GLN 8 2HG GLN 8 11.056 -8.254 -5.377 69 2HG GLN 8 1HG GLN 8 10.065 -9.184 -4.256 70 1HE2 GLN 8 1HE2 GLN 8 7.824 -9.313 -6.149 71 2HE2 GLN 8 2HE2 GLN 8 8.271 -10.490 -7.334 72 H GLY 9 H GLY 9 7.167 -6.853 -2.667 73 1HA GLY 9 2HA GLY 9 8.305 -8.734 -0.752 74 2HA GLY 9 1HA GLY 9 7.748 -7.197 -0.101 75 H GLU 10 H GLU 10 6.337 -8.696 1.144 76 HA GLU 10 HA GLU 10 4.328 -10.248 -0.072 77 1HB GLU 10 2HB GLU 10 4.238 -8.928 2.651 78 2HB GLU 10 1HB GLU 10 3.235 -10.266 2.117 79 1HG GLU 10 2HG GLU 10 4.930 -11.136 3.536 80 2HG GLU 10 1HG GLU 10 5.305 -11.637 1.888 81 H ASN 11 H ASN 11 3.099 -9.265 -1.585 82 HA ASN 11 HA ASN 11 1.370 -8.066 -2.453 83 1HB ASN 11 2HB ASN 11 0.717 -7.557 0.460 84 2HB ASN 11 1HB ASN 11 -0.365 -7.243 -0.891 85 1HD2 ASN 11 1HD2 ASN 11 0.385 -9.630 -2.353 86 2HD2 ASN 11 2HD2 ASN 11 -0.312 -10.965 -1.508 87 H LYS 12 H LYS 12 3.964 -6.723 -1.918 88 HA LYS 12 HA LYS 12 3.057 -4.003 -2.253 89 1HB LYS 12 2HB LYS 12 4.397 -3.111 -0.373 90 2HB LYS 12 1HB LYS 12 3.062 -4.124 0.160 91 1HG LYS 12 2HG LYS 12 4.588 -5.975 0.536 92 2HG LYS 12 1HG LYS 12 5.935 -5.001 -0.057 93 1HD LYS 12 2HD LYS 12 5.717 -3.480 1.788 94 2HD LYS 12 1HD LYS 12 4.236 -4.277 2.328 95 1HE LYS 12 2HE LYS 12 6.923 -5.631 2.163 96 2HE LYS 12 1HE LYS 12 6.289 -4.883 3.629 97 1HZ LYS 12 1HZ LYS 12 5.936 -7.366 3.363 98 2HZ LYS 12 2HZ LYS 12 4.790 -6.983 2.175 99 3HZ LYS 12 3HZ LYS 12 4.568 -6.447 3.763 100 H PHE 13 H PHE 13 4.712 -2.539 -2.845 101 HA PHE 13 HA PHE 13 7.344 -3.720 -3.445 102 1HB PHE 13 2HB PHE 13 5.782 -1.744 -5.138 103 2HB PHE 13 1HB PHE 13 7.466 -2.173 -5.411 104 HD1 PHE 13 HD1 PHE 13 4.059 -3.016 -6.053 105 HD2 PHE 13 HD2 PHE 13 8.010 -4.593 -5.941 106 HE1 PHE 13 HE1 PHE 13 3.347 -4.891 -7.481 107 HE2 PHE 13 HE2 PHE 13 7.304 -6.469 -7.366 108 HZ PHE 13 HZ PHE 13 4.971 -6.617 -8.138 109 H TYR 14 H TYR 14 9.068 -2.475 -2.746 110 HA TYR 14 HA TYR 14 8.433 0.201 -1.750 111 1HB TYR 14 2HB TYR 14 9.580 -0.218 0.386 112 2HB TYR 14 1HB TYR 14 8.157 -1.227 0.191 113 HD1 TYR 14 HD1 TYR 14 11.652 -1.155 0.899 114 HD2 TYR 14 HD2 TYR 14 8.531 -3.667 -0.536 115 HE1 TYR 14 HE1 TYR 14 13.003 -3.133 1.442 116 HE2 TYR 14 HE2 TYR 14 9.879 -5.654 -0.002 117 HH TYR 14 HH TYR 14 12.594 -5.553 1.961 118 H ILE 15 H ILE 15 9.974 1.665 -1.910 119 HA ILE 15 HA ILE 15 12.574 0.810 -2.993 120 HB ILE 15 HB ILE 15 11.004 3.357 -3.389 121 1HG1 ILE 15 2HG1 ILE 15 12.140 1.306 -5.303 122 2HG1 ILE 15 1HG1 ILE 15 10.443 1.500 -4.877 123 1HG2 ILE 15 1HG2 ILE 15 12.902 4.260 -4.629 124 2HG2 ILE 15 2HG2 ILE 15 13.861 2.842 -4.197 125 3HG2 ILE 15 3HG2 ILE 15 13.327 3.959 -2.942 126 1HD1 ILE 15 1HD1 ILE 15 10.419 3.692 -5.934 127 2HD1 ILE 15 2HD1 ILE 15 10.948 2.446 -7.067 128 3HD1 ILE 15 3HD1 ILE 15 12.129 3.527 -6.328 129 H GLY 16 H GLY 16 14.258 1.049 -1.699 130 1HA GLY 16 2HA GLY 16 14.854 3.289 -0.177 131 2HA GLY 16 1HA GLY 16 14.022 2.162 0.885 132 H ASP 17 H ASP 17 16.602 2.968 1.342 133 HA ASP 17 HA ASP 17 18.562 1.179 0.352 134 1HB ASP 17 2HB ASP 17 19.253 3.284 1.288 135 2HB ASP 17 1HB ASP 17 18.459 2.926 2.817 136 H ASP 18 H ASP 18 16.555 1.219 3.239 137 HA ASP 18 HA ASP 18 17.160 -1.624 3.664 138 1HB ASP 18 2HB ASP 18 18.467 -0.240 5.275 139 2HB ASP 18 1HB ASP 18 16.963 0.466 5.853 140 H GLU 19 H GLU 19 15.417 -2.620 5.146 141 HA GLU 19 HA GLU 19 12.870 -1.937 4.048 142 1HB GLU 19 2HB GLU 19 13.715 -4.253 4.740 143 2HB GLU 19 1HB GLU 19 13.340 -3.774 6.389 144 1HG GLU 19 2HG GLU 19 11.011 -3.464 5.793 145 2HG GLU 19 1HG GLU 19 11.372 -3.872 4.116 146 H ASN 20 H ASN 20 14.613 -1.157 6.949 147 HA ASN 20 HA ASN 20 12.318 0.102 8.225 148 1HB ASN 20 2HB ASN 20 15.264 0.284 8.920 149 2HB ASN 20 1HB ASN 20 13.933 0.855 9.916 150 1HD2 ASN 20 1HD2 ASN 20 16.017 -1.063 10.512 151 2HD2 ASN 20 2HD2 ASN 20 15.221 -2.536 10.937 152 H ASN 21 H ASN 21 14.990 0.886 6.176 153 HA ASN 21 HA ASN 21 14.516 3.763 6.425 154 1HB ASN 21 2HB ASN 21 16.850 2.871 6.644 155 2HB ASN 21 1HB ASN 21 16.748 2.309 4.980 156 1HD2 ASN 21 1HD2 ASN 21 18.466 3.588 4.335 157 2HD2 ASN 21 2HD2 ASN 21 18.331 5.306 4.163 158 H ALA 22 H ALA 22 12.523 2.326 5.186 159 HA ALA 22 HA ALA 22 12.818 2.502 2.324 160 1HB ALA 22 1HB ALA 22 11.377 0.793 3.334 161 2HB ALA 22 2HB ALA 22 10.473 1.844 2.245 162 3HB ALA 22 3HB ALA 22 10.342 2.059 3.990 163 H LEU 23 H LEU 23 12.624 4.316 1.203 164 HA LEU 23 HA LEU 23 11.670 6.708 2.541 165 1HB LEU 23 2HB LEU 23 12.910 6.317 -0.181 166 2HB LEU 23 1HB LEU 23 12.500 7.873 0.516 167 HG LEU 23 HG LEU 23 14.540 5.938 1.624 168 1HD1 LEU 23 1HD1 LEU 23 14.893 8.568 0.193 169 2HD1 LEU 23 2HD1 LEU 23 15.266 6.971 -0.458 170 3HD1 LEU 23 3HD1 LEU 23 16.180 7.600 0.914 171 1HD2 LEU 23 1HD2 LEU 23 13.444 7.257 3.372 172 2HD2 LEU 23 2HD2 LEU 23 13.826 8.739 2.494 173 3HD2 LEU 23 3HD2 LEU 23 15.124 7.742 3.151 174 H ALA 24 H ALA 24 10.518 4.376 0.335 175 HA ALA 24 HA ALA 24 7.954 5.655 0.211 176 1HB ALA 24 1HB ALA 24 9.137 6.826 -1.602 177 2HB ALA 24 2HB ALA 24 7.808 5.836 -2.204 178 3HB ALA 24 3HB ALA 24 9.472 5.274 -2.367 179 H GLU 25 H GLU 25 6.720 3.943 0.731 180 HA GLU 25 HA GLU 25 7.125 1.511 -0.877 181 1HB GLU 25 2HB GLU 25 6.648 0.080 0.962 182 2HB GLU 25 1HB GLU 25 7.891 1.200 1.488 183 1HG GLU 25 2HG GLU 25 4.967 1.485 2.131 184 2HG GLU 25 1HG GLU 25 6.149 0.711 3.183 185 H ILE 26 H ILE 26 5.360 0.520 -1.674 186 HA ILE 26 HA ILE 26 2.752 1.741 -1.073 187 HB ILE 26 HB ILE 26 3.451 2.587 -3.235 188 1HG1 ILE 26 2HG1 ILE 26 1.372 0.409 -3.545 189 2HG1 ILE 26 1HG1 ILE 26 1.074 2.038 -2.942 190 1HG2 ILE 26 1HG2 ILE 26 3.775 -0.291 -4.066 191 2HG2 ILE 26 2HG2 ILE 26 5.073 0.878 -3.825 192 3HG2 ILE 26 3HG2 ILE 26 3.907 1.110 -5.130 193 1HD1 ILE 26 1HD1 ILE 26 0.385 1.773 -5.265 194 2HD1 ILE 26 2HD1 ILE 26 2.039 1.351 -5.707 195 3HD1 ILE 26 3HD1 ILE 26 1.672 2.966 -5.098 196 H THR 27 H THR 27 1.181 0.341 -0.583 197 HA THR 27 HA THR 27 1.729 -2.521 -1.002 198 HB THR 27 HB THR 27 0.174 -2.938 0.882 199 HG1 THR 27 HG1 THR 27 -0.648 -1.239 2.058 200 1HG2 THR 27 1HG2 THR 27 2.560 -2.825 1.358 201 2HG2 THR 27 2HG2 THR 27 1.641 -2.136 2.693 202 3HG2 THR 27 3HG2 THR 27 2.460 -1.076 1.547 203 H TYR 28 H TYR 28 0.243 -3.768 -2.032 204 HA TYR 28 HA TYR 28 -2.288 -2.470 -2.783 205 1HB TYR 28 2HB TYR 28 -2.289 -3.826 -4.860 206 2HB TYR 28 1HB TYR 28 -0.944 -2.698 -4.791 207 HD1 TYR 28 HD1 TYR 28 -1.939 -6.184 -4.937 208 HD2 TYR 28 HD2 TYR 28 1.363 -3.550 -4.433 209 HE1 TYR 28 HE1 TYR 28 -0.399 -8.032 -5.431 210 HE2 TYR 28 HE2 TYR 28 2.915 -5.395 -4.923 211 HH TYR 28 HH TYR 28 1.849 -8.411 -6.182 212 H ARG 29 H ARG 29 -4.002 -3.394 -1.952 213 HA ARG 29 HA ARG 29 -3.667 -6.055 -0.749 214 1HB ARG 29 2HB ARG 29 -4.431 -3.838 0.482 215 2HB ARG 29 1HB ARG 29 -6.005 -4.317 -0.122 216 1HG ARG 29 2HG ARG 29 -5.804 -5.168 2.075 217 2HG ARG 29 1HG ARG 29 -5.628 -6.540 0.980 218 1HD ARG 29 2HD ARG 29 -3.971 -6.687 2.733 219 2HD ARG 29 1HD ARG 29 -3.176 -6.361 1.194 220 HE ARG 29 HE ARG 29 -3.617 -3.902 2.401 221 1HH1 ARG 29 2HH1 ARG 29 -1.816 -6.820 3.102 222 2HH1 ARG 29 1HH1 ARG 29 -0.573 -6.002 4.001 223 1HH2 ARG 29 1HH2 ARG 29 -1.971 -2.804 3.616 224 2HH2 ARG 29 2HH2 ARG 29 -0.673 -3.739 4.306 225 H PHE 30 H PHE 30 -5.293 -7.594 -0.951 226 HA PHE 30 HA PHE 30 -6.631 -7.428 -3.560 227 1HB PHE 30 2HB PHE 30 -5.881 -9.793 -1.832 228 2HB PHE 30 1HB PHE 30 -6.853 -9.932 -3.291 229 HD1 PHE 30 HD1 PHE 30 -3.526 -8.962 -2.009 230 HD2 PHE 30 HD2 PHE 30 -5.861 -9.987 -5.412 231 HE1 PHE 30 HE1 PHE 30 -1.474 -9.152 -3.354 232 HE2 PHE 30 HE2 PHE 30 -3.817 -10.179 -6.767 233 HZ PHE 30 HZ PHE 30 -1.620 -9.763 -5.737 234 H VAL 31 H VAL 31 -8.658 -6.667 -3.383 235 HA VAL 31 HA VAL 31 -10.242 -7.348 -1.050 236 HB VAL 31 HB VAL 31 -12.026 -5.940 -2.126 237 1HG1 VAL 31 1HG1 VAL 31 -10.870 -3.818 -1.662 238 2HG1 VAL 31 2HG1 VAL 31 -9.331 -4.676 -1.649 239 3HG1 VAL 31 3HG1 VAL 31 -10.553 -5.039 -0.430 240 1HG2 VAL 31 1HG2 VAL 31 -11.374 -4.459 -3.963 241 2HG2 VAL 31 2HG2 VAL 31 -11.323 -6.152 -4.456 242 3HG2 VAL 31 3HG2 VAL 31 -9.825 -5.295 -4.092 243 H ASP 32 H ASP 32 -10.278 -7.996 -4.547 244 HA ASP 32 HA ASP 32 -11.755 -10.428 -4.020 245 1HB ASP 32 2HB ASP 32 -13.574 -8.820 -4.297 246 2HB ASP 32 1HB ASP 32 -12.901 -8.306 -5.841 247 H ASN 33 H ASN 33 -10.140 -11.619 -4.816 248 HA ASN 33 HA ASN 33 -9.049 -12.874 -6.328 249 1HB ASN 33 2HB ASN 33 -11.307 -13.091 -7.297 250 2HB ASN 33 1HB ASN 33 -10.999 -11.685 -8.307 251 1HD2 ASN 33 1HD2 ASN 33 -10.192 -15.026 -7.714 252 2HD2 ASN 33 2HD2 ASN 33 -9.437 -15.316 -9.251 253 H ASN 34 H ASN 34 -9.781 -10.244 -8.591 254 HA ASN 34 HA ASN 34 -6.869 -9.927 -8.941 255 1HB ASN 34 2HB ASN 34 -7.257 -9.517 -11.321 256 2HB ASN 34 1HB ASN 34 -7.892 -11.090 -10.851 257 1HD2 ASN 34 1HD2 ASN 34 -10.106 -11.425 -10.833 258 2HD2 ASN 34 2HD2 ASN 34 -11.216 -10.329 -11.585 259 H GLU 35 H GLU 35 -9.507 -8.416 -7.787 260 HA GLU 35 HA GLU 35 -8.823 -5.772 -8.799 261 1HB GLU 35 2HB GLU 35 -11.211 -6.473 -8.454 262 2HB GLU 35 1HB GLU 35 -10.894 -6.522 -6.726 263 1HG GLU 35 2HG GLU 35 -10.447 -4.166 -6.681 264 2HG GLU 35 1HG GLU 35 -10.573 -4.069 -8.437 265 H ILE 36 H ILE 36 -7.152 -4.789 -7.917 266 HA ILE 36 HA ILE 36 -6.567 -5.283 -5.072 267 HB ILE 36 HB ILE 36 -4.241 -4.592 -5.575 268 1HG1 ILE 36 2HG1 ILE 36 -5.120 -4.721 -8.470 269 2HG1 ILE 36 1HG1 ILE 36 -4.749 -3.240 -7.595 270 1HG2 ILE 36 1HG2 ILE 36 -3.592 -6.657 -6.752 271 2HG2 ILE 36 2HG2 ILE 36 -5.283 -6.917 -7.183 272 3HG2 ILE 36 3HG2 ILE 36 -4.791 -6.942 -5.489 273 1HD1 ILE 36 1HD1 ILE 36 -2.897 -3.911 -9.009 274 2HD1 ILE 36 2HD1 ILE 36 -2.819 -5.472 -8.190 275 3HD1 ILE 36 3HD1 ILE 36 -2.445 -3.994 -7.308 276 H ASN 37 H ASN 37 -6.111 -3.555 -3.734 277 HA ASN 37 HA ASN 37 -6.589 -0.893 -4.898 278 1HB ASN 37 2HB ASN 37 -7.906 -0.217 -3.077 279 2HB ASN 37 1HB ASN 37 -8.482 -1.839 -3.432 280 1HD2 ASN 37 1HD2 ASN 37 -8.024 -3.506 -1.979 281 2HD2 ASN 37 2HD2 ASN 37 -7.515 -3.190 -0.355 282 H ILE 38 H ILE 38 -5.201 0.708 -4.297 283 HA ILE 38 HA ILE 38 -2.827 0.033 -2.882 284 HB ILE 38 HB ILE 38 -3.932 2.676 -3.822 285 1HG1 ILE 38 2HG1 ILE 38 -1.780 2.626 -5.159 286 2HG1 ILE 38 1HG1 ILE 38 -1.552 0.977 -4.593 287 1HG2 ILE 38 1HG2 ILE 38 -2.796 3.090 -1.707 288 2HG2 ILE 38 2HG2 ILE 38 -1.869 3.744 -3.057 289 3HG2 ILE 38 3HG2 ILE 38 -1.371 2.233 -2.296 290 1HD1 ILE 38 1HD1 ILE 38 -3.843 1.976 -6.263 291 2HD1 ILE 38 2HD1 ILE 38 -3.639 0.324 -5.682 292 3HD1 ILE 38 3HD1 ILE 38 -2.479 1.010 -6.821 293 H ASP 39 H ASP 39 -2.798 -0.375 -0.826 294 HA ASP 39 HA ASP 39 -4.771 0.748 0.979 295 1HB ASP 39 2HB ASP 39 -4.445 -1.506 1.424 296 2HB ASP 39 1HB ASP 39 -2.713 -1.422 1.134 297 H HIS 40 H HIS 40 -1.277 0.824 0.500 298 HA HIS 40 HA HIS 40 -1.168 3.279 2.088 299 1HB HIS 40 2HB HIS 40 -0.523 1.639 3.702 300 2HB HIS 40 1HB HIS 40 0.503 0.801 2.547 301 HD1 HIS 40 HD1 HIS 40 0.419 3.790 4.805 302 HD2 HIS 40 HD2 HIS 40 3.075 1.858 2.253 303 HE1 HIS 40 HE1 HIS 40 2.669 4.824 5.253 304 HE2 HIS 40 HE2 HIS 40 4.228 3.759 3.573 305 H THR 41 H THR 41 0.231 4.768 1.346 306 HA THR 41 HA THR 41 2.424 3.977 -0.397 307 HB THR 41 HB THR 41 0.476 6.149 -1.213 308 HG1 THR 41 HG1 THR 41 0.498 3.479 -1.684 309 1HG2 THR 41 1HG2 THR 41 1.809 6.245 -3.272 310 2HG2 THR 41 2HG2 THR 41 2.918 5.043 -2.610 311 3HG2 THR 41 3HG2 THR 41 2.787 6.632 -1.858 312 H GLY 42 H GLY 42 3.931 4.603 1.060 313 1HA GLY 42 2HA GLY 42 3.702 7.322 2.184 314 2HA GLY 42 1HA GLY 42 4.610 6.002 2.913 315 H VAL 43 H VAL 43 4.585 8.458 0.464 316 HA VAL 43 HA VAL 43 7.347 7.773 -0.256 317 HB VAL 43 HB VAL 43 5.438 9.620 -1.703 318 1HG1 VAL 43 1HG1 VAL 43 8.129 8.530 -2.529 319 2HG1 VAL 43 2HG1 VAL 43 7.782 10.193 -2.054 320 3HG1 VAL 43 3HG1 VAL 43 7.068 9.528 -3.523 321 1HG2 VAL 43 1HG2 VAL 43 5.275 7.841 -3.385 322 2HG2 VAL 43 2HG2 VAL 43 4.657 7.320 -1.818 323 3HG2 VAL 43 3HG2 VAL 43 6.248 6.787 -2.359 324 H SER 44 H SER 44 8.673 8.790 1.135 325 HA SER 44 HA SER 44 8.187 11.589 1.780 326 1HB SER 44 2HB SER 44 10.397 11.280 3.072 327 2HB SER 44 1HB SER 44 8.974 10.429 3.659 328 HG SER 44 HG SER 44 10.453 9.033 1.800 329 H ASP 45 H ASP 45 9.025 13.187 0.684 330 HA ASP 45 HA ASP 45 10.757 12.556 -1.557 331 1HB ASP 45 2HB ASP 45 10.265 14.821 -2.340 332 2HB ASP 45 1HB ASP 45 8.785 13.951 -1.969 333 H GLU 46 H GLU 46 10.725 14.866 1.138 334 HA GLU 46 HA GLU 46 12.348 15.878 2.341 335 1HB GLU 46 2HB GLU 46 12.902 13.566 2.919 336 2HB GLU 46 1HB GLU 46 13.959 13.458 1.519 337 1HG GLU 46 2HG GLU 46 15.408 15.170 2.467 338 2HG GLU 46 1HG GLU 46 14.339 15.307 3.863 339 H LEU 47 H LEU 47 14.584 14.436 0.035 340 HA LEU 47 HA LEU 47 15.938 16.923 -0.359 341 1HB LEU 47 2HB LEU 47 17.034 14.689 -0.393 342 2HB LEU 47 1HB LEU 47 16.190 14.332 -1.886 343 HG LEU 47 HG LEU 47 17.371 16.272 -2.941 344 1HD1 LEU 47 1HD1 LEU 47 19.374 17.133 -1.815 345 2HD1 LEU 47 2HD1 LEU 47 18.937 16.232 -0.364 346 3HD1 LEU 47 3HD1 LEU 47 17.898 17.535 -0.940 347 1HD2 LEU 47 1HD2 LEU 47 19.531 15.106 -3.144 348 2HD2 LEU 47 2HD2 LEU 47 18.158 14.012 -3.303 349 3HD2 LEU 47 3HD2 LEU 47 19.077 14.063 -1.797 350 H GLY 48 H GLY 48 13.533 15.053 -2.056 351 1HA GLY 48 2HA GLY 48 12.520 17.186 -3.532 352 2HA GLY 48 1HA GLY 48 13.694 16.373 -4.557 353 H GLY 49 H GLY 49 13.306 13.739 -3.826 354 1HA GLY 49 2HA GLY 49 11.778 11.975 -3.851 355 2HA GLY 49 1HA GLY 49 10.472 13.138 -4.019 356 H GLN 50 H GLN 50 11.273 14.520 -6.258 357 HA GLN 50 HA GLN 50 11.162 14.517 -8.517 358 1HB GLN 50 2HB GLN 50 12.473 11.800 -8.347 359 2HB GLN 50 1HB GLN 50 12.373 12.817 -9.775 360 1HG GLN 50 2HG GLN 50 13.819 14.449 -8.792 361 2HG GLN 50 1HG GLN 50 13.809 13.591 -7.250 362 1HE2 GLN 50 1HE2 GLN 50 16.063 14.294 -8.961 363 2HE2 GLN 50 2HE2 GLN 50 16.854 12.803 -9.335 364 H GLY 51 H GLY 51 10.905 11.009 -8.418 365 1HA GLY 51 2HA GLY 51 8.016 11.093 -8.637 366 2HA GLY 51 1HA GLY 51 8.856 10.655 -10.117 367 H VAL 52 H VAL 52 9.915 9.796 -6.868 368 HA VAL 52 HA VAL 52 10.334 7.099 -7.431 369 HB VAL 52 HB VAL 52 9.703 8.307 -4.726 370 1HG1 VAL 52 1HG1 VAL 52 9.487 5.880 -4.723 371 2HG1 VAL 52 2HG1 VAL 52 10.917 6.380 -3.819 372 3HG1 VAL 52 3HG1 VAL 52 11.088 5.725 -5.446 373 1HG2 VAL 52 1HG2 VAL 52 11.597 9.411 -5.781 374 2HG2 VAL 52 2HG2 VAL 52 12.354 7.850 -6.094 375 3HG2 VAL 52 3HG2 VAL 52 12.137 8.410 -4.436 376 H GLY 53 H GLY 53 7.532 8.680 -5.941 377 1HA GLY 53 2HA GLY 53 6.005 6.375 -5.458 378 2HA GLY 53 1HA GLY 53 5.358 7.993 -5.672 379 H LYS 54 H LYS 54 6.261 8.413 -8.333 380 HA LYS 54 HA LYS 54 4.139 7.168 -9.742 381 1HB LYS 54 2HB LYS 54 5.000 9.421 -10.295 382 2HB LYS 54 1HB LYS 54 6.503 8.696 -10.847 383 1HG LYS 54 2HG LYS 54 5.304 7.513 -12.607 384 2HG LYS 54 1HG LYS 54 3.781 8.199 -12.041 385 1HD LYS 54 2HD LYS 54 4.647 10.452 -12.514 386 2HD LYS 54 1HD LYS 54 6.140 9.735 -13.121 387 1HE LYS 54 2HE LYS 54 4.650 10.315 -14.954 388 2HE LYS 54 1HE LYS 54 4.880 8.570 -14.856 389 1HZ LYS 54 1HZ LYS 54 2.539 10.008 -13.729 390 2HZ LYS 54 2HZ LYS 54 2.747 8.327 -13.836 391 3HZ LYS 54 3HZ LYS 54 2.550 9.248 -15.246 392 H LYS 55 H LYS 55 7.593 6.561 -9.499 393 HA LYS 55 HA LYS 55 7.717 4.632 -11.576 394 1HB LYS 55 2HB LYS 55 9.498 5.008 -9.163 395 2HB LYS 55 1HB LYS 55 9.858 3.952 -10.524 396 1HG LYS 55 2HG LYS 55 9.820 5.909 -12.020 397 2HG LYS 55 1HG LYS 55 9.548 6.946 -10.617 398 1HD LYS 55 2HD LYS 55 11.675 6.192 -9.659 399 2HD LYS 55 1HD LYS 55 11.950 5.175 -11.077 400 1HE LYS 55 2HE LYS 55 11.712 8.179 -11.033 401 2HE LYS 55 1HE LYS 55 13.187 7.251 -11.284 402 1HZ LYS 55 1HZ LYS 55 12.130 6.318 -13.308 403 2HZ LYS 55 2HZ LYS 55 12.384 7.995 -13.385 404 3HZ LYS 55 3HZ LYS 55 10.830 7.386 -13.088 405 H LEU 56 H LEU 56 7.161 4.417 -8.084 406 HA LEU 56 HA LEU 56 6.924 1.625 -7.909 407 1HB LEU 56 2HB LEU 56 5.631 3.855 -6.348 408 2HB LEU 56 1HB LEU 56 5.355 2.165 -5.969 409 HG LEU 56 HG LEU 56 8.071 3.483 -5.968 410 1HD1 LEU 56 1HD1 LEU 56 7.896 3.364 -3.521 411 2HD1 LEU 56 2HD1 LEU 56 6.223 2.827 -3.679 412 3HD1 LEU 56 3HD1 LEU 56 6.687 4.438 -4.224 413 1HD2 LEU 56 1HD2 LEU 56 8.762 1.453 -4.791 414 2HD2 LEU 56 2HD2 LEU 56 8.130 1.084 -6.395 415 3HD2 LEU 56 3HD2 LEU 56 7.135 0.794 -4.969 416 H LEU 57 H LEU 57 4.469 4.124 -8.495 417 HA LEU 57 HA LEU 57 2.253 2.499 -8.873 418 1HB LEU 57 2HB LEU 57 3.061 5.203 -9.740 419 2HB LEU 57 1HB LEU 57 1.792 4.453 -10.685 420 HG LEU 57 HG LEU 57 0.392 4.225 -8.721 421 1HD1 LEU 57 1HD1 LEU 57 2.664 5.498 -7.206 422 2HD1 LEU 57 2HD1 LEU 57 2.105 3.832 -7.042 423 3HD1 LEU 57 3HD1 LEU 57 1.056 5.168 -6.563 424 1HD2 LEU 57 1HD2 LEU 57 0.275 6.307 -9.972 425 2HD2 LEU 57 2HD2 LEU 57 1.562 6.990 -8.977 426 3HD2 LEU 57 3HD2 LEU 57 0.003 6.593 -8.253 427 H LYS 58 H LYS 58 4.646 3.588 -11.259 428 HA LYS 58 HA LYS 58 3.547 2.379 -13.516 429 1HB LYS 58 2HB LYS 58 5.442 4.026 -13.472 430 2HB LYS 58 1HB LYS 58 6.496 2.722 -12.944 431 1HG LYS 58 2HG LYS 58 5.948 1.497 -15.031 432 2HG LYS 58 1HG LYS 58 5.021 2.901 -15.563 433 1HD LYS 58 2HD LYS 58 7.177 3.050 -16.570 434 2HD LYS 58 1HD LYS 58 7.106 4.267 -15.294 435 1HE LYS 58 2HE LYS 58 9.231 3.174 -15.167 436 2HE LYS 58 1HE LYS 58 8.262 2.658 -13.787 437 1HZ LYS 58 1HZ LYS 58 9.304 0.744 -14.670 438 2HZ LYS 58 2HZ LYS 58 8.848 1.125 -16.259 439 3HZ LYS 58 3HZ LYS 58 7.678 0.650 -15.133 440 H ALA 59 H ALA 59 5.917 1.094 -11.198 441 HA ALA 59 HA ALA 59 6.297 -1.397 -12.455 442 1HB ALA 59 1HB ALA 59 6.525 -0.717 -9.525 443 2HB ALA 59 2HB ALA 59 7.797 -0.525 -10.731 444 3HB ALA 59 3HB ALA 59 7.209 -2.136 -10.318 445 H VAL 60 H VAL 60 3.977 -0.342 -9.987 446 HA VAL 60 HA VAL 60 2.733 -2.836 -9.587 447 HB VAL 60 HB VAL 60 1.529 -0.067 -9.365 448 1HG1 VAL 60 1HG1 VAL 60 -0.155 -1.122 -7.919 449 2HG1 VAL 60 2HG1 VAL 60 0.528 -2.704 -8.294 450 3HG1 VAL 60 3HG1 VAL 60 -0.219 -1.743 -9.569 451 1HG2 VAL 60 1HG2 VAL 60 2.744 -1.874 -7.278 452 2HG2 VAL 60 2HG2 VAL 60 1.952 -0.330 -6.965 453 3HG2 VAL 60 3HG2 VAL 60 3.444 -0.382 -7.903 454 H VAL 61 H VAL 61 1.999 -0.175 -11.828 455 HA VAL 61 HA VAL 61 -0.197 -1.330 -13.117 456 HB VAL 61 HB VAL 61 1.891 0.551 -14.243 457 1HG1 VAL 61 1HG1 VAL 61 0.221 1.121 -15.946 458 2HG1 VAL 61 2HG1 VAL 61 -0.832 -0.155 -15.332 459 3HG1 VAL 61 3HG1 VAL 61 0.721 -0.565 -16.061 460 1HG2 VAL 61 1HG2 VAL 61 -0.832 1.053 -13.052 461 2HG2 VAL 61 2HG2 VAL 61 0.184 2.274 -13.814 462 3HG2 VAL 61 3HG2 VAL 61 0.721 1.475 -12.336 463 H GLU 62 H GLU 62 3.263 -1.552 -13.866 464 HA GLU 62 HA GLU 62 3.139 -3.117 -16.155 465 1HB GLU 62 2HB GLU 62 5.186 -3.088 -13.936 466 2HB GLU 62 1HB GLU 62 5.414 -3.942 -15.451 467 1HG GLU 62 2HG GLU 62 5.045 -0.977 -15.113 468 2HG GLU 62 1HG GLU 62 6.555 -1.812 -15.474 469 H HIS 63 H HIS 63 3.571 -4.240 -12.803 470 HA HIS 63 HA HIS 63 3.415 -6.992 -13.396 471 1HB HIS 63 2HB HIS 63 4.368 -6.059 -11.307 472 2HB HIS 63 1HB HIS 63 2.753 -5.585 -10.796 473 HD1 HIS 63 HD1 HIS 63 4.777 -8.695 -11.536 474 HD2 HIS 63 HD2 HIS 63 1.347 -7.534 -9.487 475 HE1 HIS 63 HE1 HIS 63 4.045 -10.718 -10.229 476 HE2 HIS 63 HE2 HIS 63 1.852 -10.053 -9.175 477 H ALA 64 H ALA 64 0.953 -4.624 -12.473 478 HA ALA 64 HA ALA 64 -1.178 -6.438 -12.153 479 1HB ALA 64 1HB ALA 64 -2.647 -4.517 -12.367 480 2HB ALA 64 2HB ALA 64 -1.325 -3.552 -13.021 481 3HB ALA 64 3HB ALA 64 -1.262 -4.116 -11.350 482 H ARG 65 H ARG 65 -0.003 -4.652 -14.981 483 HA ARG 65 HA ARG 65 -2.106 -5.397 -16.707 484 1HB ARG 65 2HB ARG 65 0.244 -3.835 -16.867 485 2HB ARG 65 1HB ARG 65 0.334 -5.016 -18.168 486 1HG ARG 65 2HG ARG 65 -1.970 -3.145 -17.656 487 2HG ARG 65 1HG ARG 65 -0.733 -2.952 -18.901 488 1HD ARG 65 2HD ARG 65 -1.450 -4.942 -20.020 489 2HD ARG 65 1HD ARG 65 -2.540 -5.352 -18.696 490 HE ARG 65 HE ARG 65 -3.427 -2.915 -19.530 491 1HH1 ARG 65 2HH1 ARG 65 -2.784 -5.958 -21.137 492 2HH1 ARG 65 1HH1 ARG 65 -4.026 -5.750 -22.332 493 1HH2 ARG 65 1HH2 ARG 65 -5.049 -2.613 -21.086 494 2HH2 ARG 65 2HH2 ARG 65 -5.315 -3.824 -22.314 495 H GLU 66 H GLU 66 0.917 -6.962 -15.851 496 HA GLU 66 HA GLU 66 0.831 -8.953 -17.876 497 1HB GLU 66 2HB GLU 66 2.197 -8.979 -15.178 498 2HB GLU 66 1HB GLU 66 2.490 -10.137 -16.469 499 1HG GLU 66 2HG GLU 66 3.322 -8.355 -17.898 500 2HG GLU 66 1HG GLU 66 2.995 -7.173 -16.633 501 H ASN 67 H ASN 67 -0.520 -8.712 -14.641 502 HA ASN 67 HA ASN 67 -1.462 -11.479 -14.788 503 1HB ASN 67 2HB ASN 67 -1.606 -9.492 -12.516 504 2HB ASN 67 1HB ASN 67 -2.116 -11.171 -12.429 505 1HD2 ASN 67 1HD2 ASN 67 0.160 -12.081 -14.066 506 2HD2 ASN 67 2HD2 ASN 67 1.535 -12.004 -13.019 507 H ASN 68 H ASN 68 -2.517 -8.614 -15.850 508 HA ASN 68 HA ASN 68 -4.480 -7.617 -16.353 509 1HB ASN 68 2HB ASN 68 -4.880 -9.792 -17.495 510 2HB ASN 68 1HB ASN 68 -5.679 -10.381 -16.040 511 1HD2 ASN 68 1HD2 ASN 68 -7.630 -10.689 -17.111 512 2HD2 ASN 68 2HD2 ASN 68 -8.633 -9.359 -17.602 513 H LEU 69 H LEU 69 -3.739 -7.245 -13.803 514 HA LEU 69 HA LEU 69 -6.047 -7.665 -12.081 515 1HB LEU 69 2HB LEU 69 -3.484 -6.162 -11.539 516 2HB LEU 69 1HB LEU 69 -4.692 -6.615 -10.353 517 HG LEU 69 HG LEU 69 -2.976 -8.546 -11.915 518 1HD1 LEU 69 1HD1 LEU 69 -1.832 -8.931 -9.803 519 2HD1 LEU 69 2HD1 LEU 69 -2.835 -7.707 -9.023 520 3HD1 LEU 69 3HD1 LEU 69 -1.695 -7.240 -10.286 521 1HD2 LEU 69 1HD2 LEU 69 -5.143 -9.489 -11.339 522 2HD2 LEU 69 2HD2 LEU 69 -4.922 -9.001 -9.657 523 3HD2 LEU 69 3HD2 LEU 69 -3.865 -10.223 -10.368 524 H LYS 70 H LYS 70 -7.304 -5.983 -11.258 525 HA LYS 70 HA LYS 70 -7.110 -3.465 -12.760 526 1HB LYS 70 2HB LYS 70 -9.464 -4.833 -11.471 527 2HB LYS 70 1HB LYS 70 -9.509 -3.133 -11.913 528 1HG LYS 70 2HG LYS 70 -10.525 -4.326 -13.681 529 2HG LYS 70 1HG LYS 70 -8.938 -3.826 -14.260 530 1HD LYS 70 2HD LYS 70 -8.072 -6.076 -13.749 531 2HD LYS 70 1HD LYS 70 -9.686 -6.564 -13.233 532 1HE LYS 70 2HE LYS 70 -9.417 -7.337 -15.460 533 2HE LYS 70 1HE LYS 70 -10.495 -5.945 -15.529 534 1HZ LYS 70 1HZ LYS 70 -8.055 -4.826 -15.864 535 2HZ LYS 70 2HZ LYS 70 -9.126 -5.227 -17.115 536 3HZ LYS 70 3HZ LYS 70 -7.884 -6.302 -16.688 537 H ILE 71 H ILE 71 -7.035 -1.533 -11.694 538 HA ILE 71 HA ILE 71 -6.143 -1.826 -8.908 539 HB ILE 71 HB ILE 71 -5.223 0.108 -11.033 540 1HG1 ILE 71 2HG1 ILE 71 -3.809 -2.178 -9.642 541 2HG1 ILE 71 1HG1 ILE 71 -4.372 -2.178 -11.310 542 1HG2 ILE 71 1HG2 ILE 71 -5.253 1.179 -8.841 543 2HG2 ILE 71 2HG2 ILE 71 -3.600 0.909 -9.397 544 3HG2 ILE 71 3HG2 ILE 71 -4.305 -0.150 -8.174 545 1HD1 ILE 71 1HD1 ILE 71 -1.984 -1.803 -11.196 546 2HD1 ILE 71 2HD1 ILE 71 -2.237 -0.399 -10.158 547 3HD1 ILE 71 3HD1 ILE 71 -2.806 -0.375 -11.828 548 H ILE 72 H ILE 72 -7.286 -0.878 -7.414 549 HA ILE 72 HA ILE 72 -8.358 1.813 -7.955 550 HB ILE 72 HB ILE 72 -10.015 1.398 -6.115 551 1HG1 ILE 72 2HG1 ILE 72 -9.244 -1.502 -6.534 552 2HG1 ILE 72 1HG1 ILE 72 -8.867 -0.548 -5.103 553 1HG2 ILE 72 1HG2 ILE 72 -10.708 1.373 -8.431 554 2HG2 ILE 72 2HG2 ILE 72 -11.583 0.132 -7.533 555 3HG2 ILE 72 3HG2 ILE 72 -10.239 -0.322 -8.583 556 1HD1 ILE 72 1HD1 ILE 72 -11.625 -1.258 -6.074 557 2HD1 ILE 72 2HD1 ILE 72 -11.248 -0.303 -4.639 558 3HD1 ILE 72 3HD1 ILE 72 -10.770 -1.999 -4.720 559 H ALA 73 H ALA 73 -8.641 2.896 -5.557 560 HA ALA 73 HA ALA 73 -6.258 2.230 -4.003 561 1HB ALA 73 1HB ALA 73 -5.536 3.846 -5.713 562 2HB ALA 73 2HB ALA 73 -5.390 4.487 -4.076 563 3HB ALA 73 3HB ALA 73 -6.728 4.996 -5.106 564 H SER 74 H SER 74 -6.637 2.326 -1.905 565 HA SER 74 HA SER 74 -8.950 3.775 -0.892 566 1HB SER 74 2HB SER 74 -6.916 2.081 0.587 567 2HB SER 74 1HB SER 74 -8.442 2.679 1.236 568 HG SER 74 HG SER 74 -7.956 0.470 -0.256 569 H CYS 75 H CYS 75 -5.464 3.867 -0.916 570 HA CYS 75 HA CYS 75 -5.189 6.032 0.930 571 1HB CYS 75 2HB CYS 75 -3.370 4.421 0.526 572 2HB CYS 75 1HB CYS 75 -3.263 4.959 -1.147 573 HG CYS 75 HG CYS 75 -2.415 6.707 1.657 574 H SER 76 H SER 76 -5.642 8.092 0.534 575 HA SER 76 HA SER 76 -6.597 9.004 -1.948 576 1HB SER 76 2HB SER 76 -5.586 10.695 0.347 577 2HB SER 76 1HB SER 76 -6.740 11.172 -0.899 578 HG SER 76 HG SER 76 -8.240 9.792 -0.032 579 H PHE 77 H PHE 77 -3.448 9.240 -0.393 580 HA PHE 77 HA PHE 77 -2.234 11.136 -2.025 581 1HB PHE 77 2HB PHE 77 -1.253 10.203 0.059 582 2HB PHE 77 1HB PHE 77 -0.933 8.697 -0.793 583 HD1 PHE 77 HD1 PHE 77 -0.136 12.320 -0.808 584 HD2 PHE 77 HD2 PHE 77 1.051 8.406 -1.983 585 HE1 PHE 77 HE1 PHE 77 2.045 13.202 -1.522 586 HE2 PHE 77 HE2 PHE 77 3.236 9.283 -2.703 587 HZ PHE 77 HZ PHE 77 3.734 11.683 -2.471 588 H ALA 78 H ALA 78 -2.417 7.619 -2.440 589 HA ALA 78 HA ALA 78 -0.999 7.651 -4.922 590 1HB ALA 78 1HB ALA 78 -1.024 5.687 -3.436 591 2HB ALA 78 2HB ALA 78 -1.555 5.307 -5.074 592 3HB ALA 78 3HB ALA 78 -2.742 5.473 -3.779 593 H LYS 79 H LYS 79 -4.393 7.558 -3.963 594 HA LYS 79 HA LYS 79 -5.566 7.103 -6.454 595 1HB LYS 79 2HB LYS 79 -6.748 7.060 -4.267 596 2HB LYS 79 1HB LYS 79 -6.618 8.807 -4.181 597 1HG LYS 79 2HG LYS 79 -7.972 7.570 -6.529 598 2HG LYS 79 1HG LYS 79 -8.821 7.653 -4.986 599 1HD LYS 79 2HD LYS 79 -8.327 10.114 -4.957 600 2HD LYS 79 1HD LYS 79 -7.713 9.944 -6.602 601 1HE LYS 79 2HE LYS 79 -9.875 9.172 -7.365 602 2HE LYS 79 1HE LYS 79 -10.500 9.212 -5.718 603 1HZ LYS 79 1HZ LYS 79 -9.946 11.663 -5.767 604 2HZ LYS 79 2HZ LYS 79 -11.251 11.168 -6.722 605 3HZ LYS 79 3HZ LYS 79 -9.757 11.504 -7.449 606 H HIS 80 H HIS 80 -4.475 10.096 -4.928 607 HA HIS 80 HA HIS 80 -5.455 11.840 -6.924 608 1HB HIS 80 2HB HIS 80 -4.815 12.591 -4.656 609 2HB HIS 80 1HB HIS 80 -3.127 12.264 -5.037 610 HD1 HIS 80 HD1 HIS 80 -1.946 14.384 -5.467 611 HD2 HIS 80 HD2 HIS 80 -5.846 14.466 -6.911 612 HE1 HIS 80 HE1 HIS 80 -2.220 16.635 -6.561 613 HE2 HIS 80 HE2 HIS 80 -4.642 16.724 -7.271 614 H MET 81 H MET 81 -2.471 10.011 -6.620 615 HA MET 81 HA MET 81 -1.150 11.362 -8.768 616 1HB MET 81 2HB MET 81 -0.588 8.728 -7.407 617 2HB MET 81 1HB MET 81 0.421 9.392 -8.684 618 1HG MET 81 2HG MET 81 0.775 11.408 -7.275 619 2HG MET 81 1HG MET 81 -0.106 10.602 -5.980 620 1HE MET 81 1HE MET 81 0.720 8.419 -4.760 621 2HE MET 81 2HE MET 81 2.222 7.578 -5.142 622 3HE MET 81 3HE MET 81 0.888 7.567 -6.295 623 H LEU 82 H LEU 82 -2.947 8.324 -8.471 624 HA LEU 82 HA LEU 82 -2.628 7.488 -11.150 625 1HB LEU 82 2HB LEU 82 -4.767 6.882 -9.113 626 2HB LEU 82 1HB LEU 82 -4.669 6.095 -10.676 627 HG LEU 82 HG LEU 82 -2.477 5.980 -8.605 628 1HD1 LEU 82 1HD1 LEU 82 -3.259 3.693 -8.177 629 2HD1 LEU 82 2HD1 LEU 82 -4.641 3.976 -9.237 630 3HD1 LEU 82 3HD1 LEU 82 -4.474 4.896 -7.741 631 1HD2 LEU 82 1HD2 LEU 82 -1.659 4.126 -9.980 632 2HD2 LEU 82 2HD2 LEU 82 -1.722 5.631 -10.896 633 3HD2 LEU 82 3HD2 LEU 82 -2.966 4.403 -11.131 634 H GLU 83 H GLU 83 -4.821 9.693 -9.602 635 HA GLU 83 HA GLU 83 -6.656 9.847 -11.812 636 1HB GLU 83 2HB GLU 83 -7.391 10.219 -9.496 637 2HB GLU 83 1HB GLU 83 -6.330 11.614 -9.380 638 1HG GLU 83 2HG GLU 83 -7.657 12.565 -11.340 639 2HG GLU 83 1HG GLU 83 -8.836 11.300 -10.987 640 H LYS 84 H LYS 84 -3.721 11.408 -10.881 641 HA LYS 84 HA LYS 84 -4.152 13.915 -12.135 642 1HB LYS 84 2HB LYS 84 -2.468 13.507 -10.341 643 2HB LYS 84 1HB LYS 84 -1.511 12.585 -11.492 644 1HG LYS 84 2HG LYS 84 -1.164 14.542 -12.845 645 2HG LYS 84 1HG LYS 84 -2.242 15.488 -11.815 646 1HD LYS 84 2HD LYS 84 -0.692 15.077 -9.916 647 2HD LYS 84 1HD LYS 84 0.407 14.268 -11.038 648 1HE LYS 84 2HE LYS 84 0.660 16.299 -12.317 649 2HE LYS 84 1HE LYS 84 -0.544 17.115 -11.323 650 1HZ LYS 84 1HZ LYS 84 0.978 16.726 -9.400 651 2HZ LYS 84 2HZ LYS 84 1.566 17.802 -10.566 652 3HZ LYS 84 3HZ LYS 84 2.163 16.214 -10.504 653 H GLU 85 H GLU 85 -2.906 10.844 -13.256 654 HA GLU 85 HA GLU 85 -2.555 12.047 -15.920 655 1HB GLU 85 2HB GLU 85 -0.417 11.344 -14.837 656 2HB GLU 85 1HB GLU 85 -1.020 9.695 -14.795 657 1HG GLU 85 2HG GLU 85 -0.923 9.478 -17.119 658 2HG GLU 85 1HG GLU 85 -0.799 11.220 -17.365 659 H ASP 86 H ASP 86 -3.979 11.351 -17.346 660 HA ASP 86 HA ASP 86 -5.825 9.276 -16.603 661 1HB ASP 86 2HB ASP 86 -5.648 11.028 -19.059 662 2HB ASP 86 1HB ASP 86 -6.922 9.845 -18.796 663 H SER 87 H SER 87 -2.849 9.041 -17.841 664 HA SER 87 HA SER 87 -3.253 7.128 -19.923 665 1HB SER 87 2HB SER 87 -0.780 7.527 -18.227 666 2HB SER 87 1HB SER 87 -0.868 6.820 -19.841 667 HG SER 87 HG SER 87 -1.879 9.051 -20.320 668 H TYR 88 H TYR 88 -3.484 7.013 -16.535 669 HA TYR 88 HA TYR 88 -2.696 4.228 -16.295 670 1HB TYR 88 2HB TYR 88 -3.694 6.238 -14.279 671 2HB TYR 88 1HB TYR 88 -3.355 4.560 -13.876 672 HD1 TYR 88 HD1 TYR 88 -1.973 7.838 -14.339 673 HD2 TYR 88 HD2 TYR 88 -0.997 3.702 -14.196 674 HE1 TYR 88 HE1 TYR 88 0.386 8.413 -13.944 675 HE2 TYR 88 HE2 TYR 88 1.362 4.262 -13.798 676 HH TYR 88 HH TYR 88 2.896 6.130 -14.210 677 H GLN 89 H GLN 89 -5.391 5.615 -17.466 678 HA GLN 89 HA GLN 89 -7.497 4.521 -15.951 679 1HB GLN 89 2HB GLN 89 -7.409 5.323 -18.858 680 2HB GLN 89 1HB GLN 89 -8.879 4.871 -18.008 681 1HG GLN 89 2HG GLN 89 -8.539 6.734 -16.455 682 2HG GLN 89 1HG GLN 89 -7.090 7.197 -17.348 683 1HE2 GLN 89 1HE2 GLN 89 -7.305 8.007 -19.450 684 2HE2 GLN 89 2HE2 GLN 89 -8.799 8.679 -20.016 685 H ASP 90 H ASP 90 -5.312 2.966 -18.040 686 HA ASP 90 HA ASP 90 -6.970 0.873 -18.993 687 1HB ASP 90 2HB ASP 90 -4.831 1.349 -20.048 688 2HB ASP 90 1HB ASP 90 -3.978 0.946 -18.561 689 H VAL 91 H VAL 91 -5.073 1.314 -16.078 690 HA VAL 91 HA VAL 91 -6.026 -1.298 -15.119 691 HB VAL 91 HB VAL 91 -4.204 -1.100 -13.391 692 1HG1 VAL 91 1HG1 VAL 91 -3.332 -1.146 -16.278 693 2HG1 VAL 91 2HG1 VAL 91 -3.980 -2.515 -15.374 694 3HG1 VAL 91 3HG1 VAL 91 -2.431 -1.807 -14.913 695 1HG2 VAL 91 1HG2 VAL 91 -3.825 1.297 -13.498 696 2HG2 VAL 91 2HG2 VAL 91 -3.301 1.160 -15.176 697 3HG2 VAL 91 3HG2 VAL 91 -2.339 0.432 -13.890 698 H TYR 92 H TYR 92 -5.679 2.110 -14.288 699 HA TYR 92 HA TYR 92 -7.098 1.786 -11.785 700 1HB TYR 92 2HB TYR 92 -5.339 3.432 -11.818 701 2HB TYR 92 1HB TYR 92 -6.023 4.212 -13.239 702 HD1 TYR 92 HD1 TYR 92 -7.296 6.114 -12.938 703 HD2 TYR 92 HD2 TYR 92 -6.948 3.362 -9.717 704 HE1 TYR 92 HE1 TYR 92 -8.551 7.658 -11.496 705 HE2 TYR 92 HE2 TYR 92 -8.204 4.898 -8.261 706 HH TYR 92 HH TYR 92 -9.892 7.609 -9.480 707 H LEU 93 H LEU 93 -9.207 1.546 -11.795 708 HA LEU 93 HA LEU 93 -10.787 2.444 -14.053 709 1HB LEU 93 2HB LEU 93 -11.638 0.974 -11.554 710 2HB LEU 93 1HB LEU 93 -12.628 1.243 -12.975 711 HG LEU 93 HG LEU 93 -10.124 -0.441 -12.871 712 1HD1 LEU 93 1HD1 LEU 93 -13.031 -1.198 -13.127 713 2HD1 LEU 93 2HD1 LEU 93 -11.995 -1.484 -11.729 714 3HD1 LEU 93 3HD1 LEU 93 -11.666 -2.308 -13.253 715 1HD2 LEU 93 1HD2 LEU 93 -10.377 0.634 -15.039 716 2HD2 LEU 93 2HD2 LEU 93 -12.049 0.081 -15.134 717 3HD2 LEU 93 3HD2 LEU 93 -10.729 -1.091 -15.158 718 H GLY 94 H GLY 94 -11.470 2.625 -10.565 719 1HA GLY 94 2HA GLY 94 -12.046 4.472 -9.275 720 2HA GLY 94 1HA GLY 94 -11.818 5.491 -10.690 721 H LEU 95 H LEU 95 -14.086 4.259 -8.594 722 HA LEU 95 HA LEU 95 -16.232 4.325 -10.591 723 1HB LEU 95 2HB LEU 95 -16.180 3.296 -7.757 724 2HB LEU 95 1HB LEU 95 -17.648 3.424 -8.706 725 HG LEU 95 HG LEU 95 -16.464 1.895 -10.403 726 1HD1 LEU 95 1HD1 LEU 95 -14.746 1.354 -7.987 727 2HD1 LEU 95 2HD1 LEU 95 -14.210 2.097 -9.493 728 3HD1 LEU 95 3HD1 LEU 95 -14.756 0.420 -9.484 729 1HD2 LEU 95 1HD2 LEU 95 -18.338 1.194 -9.023 730 2HD2 LEU 95 2HD2 LEU 95 -17.239 0.842 -7.688 731 3HD2 LEU 95 3HD2 LEU 95 -17.152 -0.104 -9.174 732 H GLU 96 H GLU 96 -16.845 6.351 -10.916 733 HA GLU 96 HA GLU 96 -16.801 8.425 -9.024 734 1HB GLU 96 2HB GLU 96 -18.447 9.495 -10.720 735 2HB GLU 96 1HB GLU 96 -16.798 9.154 -11.219 736 1HG GLU 96 2HG GLU 96 -17.570 7.082 -12.293 737 2HG GLU 96 1HG GLU 96 -19.224 7.479 -11.831 738 H HIS 97 H HIS 97 -19.422 6.321 -10.097 739 HA HIS 97 HA HIS 97 -21.257 5.520 -9.047 740 1HB HIS 97 2HB HIS 97 -19.660 5.212 -7.148 741 2HB HIS 97 1HB HIS 97 -20.161 6.781 -6.529 742 HD1 HIS 97 HD1 HIS 97 -20.855 3.287 -6.162 743 HD2 HIS 97 HD2 HIS 97 -23.119 6.777 -5.977 744 HE1 HIS 97 HE1 HIS 97 -22.973 2.668 -4.950 745 HE2 HIS 97 HE2 HIS 97 -24.391 4.753 -4.989 746 H HIS 98 H HIS 98 -20.857 8.473 -7.098 747 HA HIS 98 HA HIS 98 -23.633 8.974 -7.063 748 1HB HIS 98 2HB HIS 98 -22.078 9.760 -5.311 749 2HB HIS 98 1HB HIS 98 -21.374 10.895 -6.459 750 HD1 HIS 98 HD1 HIS 98 -22.157 13.158 -5.906 751 HD2 HIS 98 HD2 HIS 98 -25.160 10.331 -5.396 752 HE1 HIS 98 HE1 HIS 98 -24.199 14.455 -5.211 753 HE2 HIS 98 HE2 HIS 98 -25.953 12.708 -4.747 754 H HIS 99 H HIS 99 -21.140 11.111 -8.507 755 HA HIS 99 HA HIS 99 -23.006 11.894 -10.571 756 1HB HIS 99 2HB HIS 99 -21.239 13.268 -11.483 757 2HB HIS 99 1HB HIS 99 -21.248 13.484 -9.741 758 HD1 HIS 99 HD1 HIS 99 -19.119 12.469 -12.567 759 HD2 HIS 99 HD2 HIS 99 -18.995 12.272 -8.411 760 HE1 HIS 99 HE1 HIS 99 -16.727 11.957 -11.981 761 HE2 HIS 99 HE2 HIS 99 -16.639 12.043 -9.460 762 H HIS 100 H HIS 100 -23.389 10.692 -12.333 763 HA HIS 100 HA HIS 100 -21.321 8.749 -13.078 764 1HB HIS 100 2HB HIS 100 -23.206 7.096 -13.536 765 2HB HIS 100 1HB HIS 100 -22.795 7.389 -11.854 766 HD1 HIS 100 HD1 HIS 100 -24.554 8.591 -10.387 767 HD2 HIS 100 HD2 HIS 100 -25.766 7.938 -14.313 768 HE1 HIS 100 HE1 HIS 100 -27.036 8.993 -10.406 769 HE2 HIS 100 HE2 HIS 100 -27.735 8.692 -12.811 770 H HIS 101 H HIS 101 -20.647 9.333 -14.954 771 HA HIS 101 HA HIS 101 -20.575 9.827 -17.172 772 1HB HIS 101 2HB HIS 101 -23.392 8.727 -17.222 773 2HB HIS 101 1HB HIS 101 -22.330 8.925 -18.611 774 HD1 HIS 101 HD1 HIS 101 -20.520 7.126 -18.981 775 HD2 HIS 101 HD2 HIS 101 -22.780 6.557 -15.538 776 HE1 HIS 101 HE1 HIS 101 -19.940 4.825 -18.161 777 HE2 HIS 101 HE2 HIS 101 -21.477 4.422 -16.209 778 H HIS 102 HN HIS 102 -21.491 11.860 -15.322 779 HA HIS 102 HA HIS 102 -23.124 13.489 -17.158 780 1HB HIS 102 2HB HIS 102 -24.218 12.900 -14.959 781 2HB HIS 102 1HB HIS 102 -22.952 13.820 -14.154 782 HD1 HIS 102 HD1 HIS 102 -23.287 16.309 -13.972 783 HD2 HIS 102 HD2 HIS 102 -25.939 14.514 -16.628 784 HE1 HIS 102 HE1 HIS 102 -24.954 18.090 -14.577 785 HE2 HIS 102 HE2 HIS 102 -26.640 16.942 -16.055 Start of MODEL 10 1 1H MET 1 1H MET 1 25.689 3.034 -11.753 2 2H MET 1 2H MET 1 25.738 1.622 -12.688 3 3H MET 1 3H MET 1 27.073 2.048 -11.729 4 HA MET 1 HA MET 1 25.898 0.291 -10.649 5 1HB MET 1 2HB MET 1 25.324 2.952 -9.328 6 2HB MET 1 1HB MET 1 25.315 1.394 -8.519 7 1HG MET 1 2HG MET 1 27.694 1.140 -8.966 8 2HG MET 1 1HG MET 1 27.705 2.695 -9.800 9 1HE MET 1 1HE MET 1 29.651 3.602 -8.298 10 2HE MET 1 2HE MET 1 29.728 2.059 -7.445 11 3HE MET 1 3HE MET 1 29.643 3.567 -6.535 12 H SER 2 H SER 2 24.112 -0.715 -11.499 13 HA SER 2 HA SER 2 21.571 0.622 -11.626 14 1HB SER 2 2HB SER 2 22.211 -2.334 -11.823 15 2HB SER 2 1HB SER 2 20.684 -1.573 -12.271 16 HG SER 2 HG SER 2 21.944 -0.307 -13.798 17 H ASN 3 H ASN 3 20.607 1.198 -9.801 18 HA ASN 3 HA ASN 3 19.907 -0.803 -7.858 19 1HB ASN 3 2HB ASN 3 22.248 0.221 -7.249 20 2HB ASN 3 1HB ASN 3 21.303 1.619 -6.748 21 1HD2 ASN 3 1HD2 ASN 3 22.132 -1.670 -6.070 22 2HD2 ASN 3 2HD2 ASN 3 21.412 -1.744 -4.502 23 H LEU 4 H LEU 4 18.935 0.852 -5.855 24 HA LEU 4 HA LEU 4 17.046 2.001 -5.320 25 1HB LEU 4 2HB LEU 4 17.997 3.599 -7.688 26 2HB LEU 4 1HB LEU 4 16.523 4.022 -6.841 27 HG LEU 4 HG LEU 4 17.910 4.230 -4.737 28 1HD1 LEU 4 1HD1 LEU 4 20.203 4.139 -6.692 29 2HD1 LEU 4 2HD1 LEU 4 19.839 2.914 -5.477 30 3HD1 LEU 4 3HD1 LEU 4 20.306 4.540 -4.977 31 1HD2 LEU 4 1HD2 LEU 4 17.155 6.175 -5.966 32 2HD2 LEU 4 2HD2 LEU 4 18.531 6.046 -7.063 33 3HD2 LEU 4 3HD2 LEU 4 18.791 6.438 -5.364 34 H GLU 5 H GLU 5 16.966 -0.288 -7.140 35 HA GLU 5 HA GLU 5 14.855 0.226 -9.034 36 1HB GLU 5 2HB GLU 5 16.211 -2.347 -8.210 37 2HB GLU 5 1HB GLU 5 15.056 -2.194 -9.528 38 1HG GLU 5 2HG GLU 5 16.566 -0.701 -10.705 39 2HG GLU 5 1HG GLU 5 17.720 -0.799 -9.375 40 H ILE 6 H ILE 6 13.249 -1.857 -8.985 41 HA ILE 6 HA ILE 6 11.539 -1.272 -6.756 42 HB ILE 6 HB ILE 6 11.140 -3.282 -8.976 43 1HG1 ILE 6 2HG1 ILE 6 10.129 -0.435 -8.816 44 2HG1 ILE 6 1HG1 ILE 6 11.532 -0.928 -9.757 45 1HG2 ILE 6 1HG2 ILE 6 9.688 -3.647 -7.050 46 2HG2 ILE 6 2HG2 ILE 6 8.763 -3.063 -8.435 47 3HG2 ILE 6 3HG2 ILE 6 9.166 -1.964 -7.115 48 1HD1 ILE 6 1HD1 ILE 6 8.730 -1.940 -10.165 49 2HD1 ILE 6 2HD1 ILE 6 10.145 -2.335 -11.143 50 3HD1 ILE 6 3HD1 ILE 6 9.520 -0.685 -11.121 51 H LYS 7 H LYS 7 12.088 -2.170 -4.854 52 HA LYS 7 HA LYS 7 13.018 -4.938 -4.784 53 1HB LYS 7 2HB LYS 7 12.771 -2.896 -2.560 54 2HB LYS 7 1HB LYS 7 13.520 -4.482 -2.420 55 1HG LYS 7 2HG LYS 7 15.275 -3.864 -3.913 56 2HG LYS 7 1HG LYS 7 14.474 -2.344 -4.306 57 1HD LYS 7 2HD LYS 7 16.269 -1.891 -2.777 58 2HD LYS 7 1HD LYS 7 14.742 -1.661 -1.928 59 1HE LYS 7 2HE LYS 7 14.970 -3.782 -0.825 60 2HE LYS 7 1HE LYS 7 16.389 -4.181 -1.793 61 1HZ LYS 7 1HZ LYS 7 17.631 -2.460 -0.727 62 2HZ LYS 7 2HZ LYS 7 16.907 -3.399 0.488 63 3HZ LYS 7 3HZ LYS 7 16.262 -1.887 0.087 64 H GLN 8 H GLN 8 11.554 -6.511 -4.572 65 HA GLN 8 HA GLN 8 8.834 -5.858 -3.883 66 1HB GLN 8 2HB GLN 8 8.290 -8.115 -4.490 67 2HB GLN 8 1HB GLN 8 9.421 -7.491 -5.682 68 1HG GLN 8 2HG GLN 8 11.218 -8.740 -4.734 69 2HG GLN 8 1HG GLN 8 10.226 -9.222 -3.358 70 1HE2 GLN 8 1HE2 GLN 8 9.110 -9.127 -6.689 71 2HE2 GLN 8 2HE2 GLN 8 8.900 -10.837 -6.854 72 H GLY 9 H GLY 9 7.615 -6.925 -2.238 73 1HA GLY 9 2HA GLY 9 8.957 -8.420 -0.182 74 2HA GLY 9 1HA GLY 9 8.553 -6.778 0.303 75 H GLU 10 H GLU 10 7.211 -7.725 1.892 76 HA GLU 10 HA GLU 10 5.095 -9.480 1.468 77 1HB GLU 10 2HB GLU 10 4.183 -8.377 3.608 78 2HB GLU 10 1HB GLU 10 5.760 -9.156 3.694 79 1HG GLU 10 2HG GLU 10 6.877 -7.041 3.544 80 2HG GLU 10 1HG GLU 10 5.350 -6.211 3.257 81 H ASN 11 H ASN 11 3.930 -8.909 -0.388 82 HA ASN 11 HA ASN 11 2.242 -7.973 -1.581 83 1HB ASN 11 2HB ASN 11 1.415 -7.326 1.233 84 2HB ASN 11 1HB ASN 11 0.454 -6.769 -0.132 85 1HD2 ASN 11 1HD2 ASN 11 -0.638 -8.241 -1.385 86 2HD2 ASN 11 2HD2 ASN 11 -0.910 -9.870 -0.867 87 H LYS 12 H LYS 12 4.701 -6.340 -1.026 88 HA LYS 12 HA LYS 12 3.648 -3.862 -2.044 89 1HB LYS 12 2HB LYS 12 4.583 -2.422 -0.288 90 2HB LYS 12 1HB LYS 12 3.316 -3.469 0.321 91 1HG LYS 12 2HG LYS 12 4.803 -3.692 2.011 92 2HG LYS 12 1HG LYS 12 5.395 -4.986 0.968 93 1HD LYS 12 2HD LYS 12 7.100 -3.515 0.064 94 2HD LYS 12 1HD LYS 12 6.479 -2.168 1.020 95 1HE LYS 12 2HE LYS 12 7.581 -4.733 2.160 96 2HE LYS 12 1HE LYS 12 8.497 -3.238 1.993 97 1HZ LYS 12 1HZ LYS 12 6.863 -2.154 3.459 98 2HZ LYS 12 2HZ LYS 12 7.680 -3.436 4.220 99 3HZ LYS 12 3HZ LYS 12 6.088 -3.649 3.678 100 H PHE 13 H PHE 13 5.124 -2.581 -3.048 101 HA PHE 13 HA PHE 13 7.847 -3.674 -3.286 102 1HB PHE 13 2HB PHE 13 6.403 -1.709 -5.087 103 2HB PHE 13 1HB PHE 13 8.011 -2.370 -5.363 104 HD1 PHE 13 HD1 PHE 13 4.586 -2.716 -6.075 105 HD2 PHE 13 HD2 PHE 13 8.145 -4.976 -5.495 106 HE1 PHE 13 HE1 PHE 13 3.595 -4.591 -7.322 107 HE2 PHE 13 HE2 PHE 13 7.161 -6.853 -6.740 108 HZ PHE 13 HZ PHE 13 4.885 -6.663 -7.657 109 H TYR 14 H TYR 14 9.579 -2.433 -2.632 110 HA TYR 14 HA TYR 14 8.955 0.296 -1.762 111 1HB TYR 14 2HB TYR 14 10.117 -0.035 0.363 112 2HB TYR 14 1HB TYR 14 8.752 -1.134 0.215 113 HD1 TYR 14 HD1 TYR 14 12.277 -0.844 0.793 114 HD2 TYR 14 HD2 TYR 14 9.236 -3.556 -0.438 115 HE1 TYR 14 HE1 TYR 14 13.759 -2.736 1.319 116 HE2 TYR 14 HE2 TYR 14 10.709 -5.452 0.085 117 HH TYR 14 HH TYR 14 13.453 -5.186 1.946 118 H ILE 15 H ILE 15 10.655 1.725 -1.687 119 HA ILE 15 HA ILE 15 13.228 0.775 -2.752 120 HB ILE 15 HB ILE 15 11.934 3.464 -3.262 121 1HG1 ILE 15 2HG1 ILE 15 12.483 1.175 -5.168 122 2HG1 ILE 15 1HG1 ILE 15 10.899 1.632 -4.554 123 1HG2 ILE 15 1HG2 ILE 15 14.360 3.619 -3.063 124 2HG2 ILE 15 2HG2 ILE 15 13.840 3.894 -4.725 125 3HG2 ILE 15 3HG2 ILE 15 14.548 2.345 -4.269 126 1HD1 ILE 15 1HD1 ILE 15 12.670 3.330 -6.294 127 2HD1 ILE 15 2HD1 ILE 15 11.081 3.787 -5.680 128 3HD1 ILE 15 3HD1 ILE 15 11.237 2.445 -6.814 129 H GLY 16 H GLY 16 14.722 0.907 -1.230 130 1HA GLY 16 2HA GLY 16 15.474 3.204 0.106 131 2HA GLY 16 1HA GLY 16 14.366 2.363 1.178 132 H ASP 17 H ASP 17 16.925 2.804 1.962 133 HA ASP 17 HA ASP 17 18.759 0.732 1.396 134 1HB ASP 17 2HB ASP 17 19.349 2.924 2.428 135 2HB ASP 17 1HB ASP 17 18.525 2.421 3.900 136 H ASP 18 H ASP 18 16.184 1.112 3.701 137 HA ASP 18 HA ASP 18 16.016 -1.711 4.203 138 1HB ASP 18 2HB ASP 18 17.765 -1.106 5.827 139 2HB ASP 18 1HB ASP 18 16.754 0.188 6.456 140 H GLU 19 H GLU 19 14.036 -2.078 5.746 141 HA GLU 19 HA GLU 19 11.933 -0.381 4.830 142 1HB GLU 19 2HB GLU 19 11.977 -2.657 6.798 143 2HB GLU 19 1HB GLU 19 10.515 -1.741 6.458 144 1HG GLU 19 2HG GLU 19 10.795 -2.321 4.052 145 2HG GLU 19 1HG GLU 19 12.135 -3.366 4.517 146 H ASN 20 H ASN 20 13.936 -0.406 7.665 147 HA ASN 20 HA ASN 20 12.325 1.367 9.223 148 1HB ASN 20 2HB ASN 20 14.106 0.094 10.287 149 2HB ASN 20 1HB ASN 20 15.309 0.838 9.241 150 1HD2 ASN 20 1HD2 ASN 20 13.212 1.291 11.978 151 2HD2 ASN 20 2HD2 ASN 20 13.936 2.757 12.546 152 H ASN 21 H ASN 21 14.608 1.715 6.638 153 HA ASN 21 HA ASN 21 14.350 4.648 6.735 154 1HB ASN 21 2HB ASN 21 16.467 2.897 5.454 155 2HB ASN 21 1HB ASN 21 16.367 4.640 5.225 156 1HD2 ASN 21 1HD2 ASN 21 17.231 2.078 7.368 157 2HD2 ASN 21 2HD2 ASN 21 17.985 3.061 8.570 158 H ALA 22 H ALA 22 12.361 2.815 5.709 159 HA ALA 22 HA ALA 22 12.523 2.592 2.893 160 1HB ALA 22 1HB ALA 22 10.089 2.533 4.678 161 2HB ALA 22 2HB ALA 22 11.068 1.145 4.204 162 3HB ALA 22 3HB ALA 22 10.142 2.025 2.990 163 H LEU 23 H LEU 23 12.728 4.336 1.665 164 HA LEU 23 HA LEU 23 11.645 6.878 2.344 165 1HB LEU 23 2HB LEU 23 12.804 5.862 -0.252 166 2HB LEU 23 1HB LEU 23 12.413 7.541 0.080 167 HG LEU 23 HG LEU 23 14.494 5.894 1.523 168 1HD1 LEU 23 1HD1 LEU 23 16.078 7.447 0.451 169 2HD1 LEU 23 2HD1 LEU 23 14.743 8.143 -0.467 170 3HD1 LEU 23 3HD1 LEU 23 15.200 6.459 -0.715 171 1HD2 LEU 23 1HD2 LEU 23 13.730 8.796 1.832 172 2HD2 LEU 23 2HD2 LEU 23 15.097 8.002 2.615 173 3HD2 LEU 23 3HD2 LEU 23 13.450 7.513 3.009 174 H ALA 24 H ALA 24 10.696 4.251 0.213 175 HA ALA 24 HA ALA 24 7.995 5.292 0.144 176 1HB ALA 24 1HB ALA 24 9.582 4.973 -2.399 177 2HB ALA 24 2HB ALA 24 9.036 6.496 -1.696 178 3HB ALA 24 3HB ALA 24 7.859 5.329 -2.298 179 H GLU 25 H GLU 25 6.640 3.620 0.326 180 HA GLU 25 HA GLU 25 7.236 1.167 -1.156 181 1HB GLU 25 2HB GLU 25 6.485 -0.251 0.682 182 2HB GLU 25 1HB GLU 25 7.874 0.705 1.167 183 1HG GLU 25 2HG GLU 25 6.655 1.987 2.633 184 2HG GLU 25 1HG GLU 25 5.133 1.697 1.789 185 H ILE 26 H ILE 26 5.448 0.142 -2.015 186 HA ILE 26 HA ILE 26 2.873 1.482 -1.527 187 HB ILE 26 HB ILE 26 3.685 2.161 -3.702 188 1HG1 ILE 26 2HG1 ILE 26 1.502 0.100 -4.044 189 2HG1 ILE 26 1HG1 ILE 26 1.255 1.714 -3.385 190 1HG2 ILE 26 1HG2 ILE 26 5.209 0.325 -4.169 191 2HG2 ILE 26 2HG2 ILE 26 4.086 0.559 -5.511 192 3HG2 ILE 26 3HG2 ILE 26 3.844 -0.772 -4.380 193 1HD1 ILE 26 1HD1 ILE 26 2.221 1.063 -6.159 194 2HD1 ILE 26 2HD1 ILE 26 1.978 2.685 -5.508 195 3HD1 ILE 26 3HD1 ILE 26 0.601 1.601 -5.720 196 H THR 27 H THR 27 1.554 0.162 -0.516 197 HA THR 27 HA THR 27 1.858 -2.723 -0.721 198 HB THR 27 HB THR 27 0.023 -2.744 1.005 199 HG1 THR 27 HG1 THR 27 -0.427 -0.361 0.216 200 1HG2 THR 27 1HG2 THR 27 2.317 -2.885 1.735 201 2HG2 THR 27 2HG2 THR 27 1.438 -1.825 2.832 202 3HG2 THR 27 3HG2 THR 27 2.508 -1.138 1.611 203 H TYR 28 H TYR 28 0.402 -4.106 -1.655 204 HA TYR 28 HA TYR 28 -2.137 -2.978 -2.583 205 1HB TYR 28 2HB TYR 28 -1.978 -4.135 -4.727 206 2HB TYR 28 1HB TYR 28 -0.651 -2.999 -4.534 207 HD1 TYR 28 HD1 TYR 28 -1.588 -6.447 -5.048 208 HD2 TYR 28 HD2 TYR 28 1.643 -3.878 -4.024 209 HE1 TYR 28 HE1 TYR 28 0.000 -8.244 -5.589 210 HE2 TYR 28 HE2 TYR 28 3.240 -5.665 -4.565 211 HH TYR 28 HH TYR 28 3.167 -8.250 -4.644 212 H ARG 29 H ARG 29 -3.835 -4.170 -2.089 213 HA ARG 29 HA ARG 29 -3.363 -6.933 -1.164 214 1HB ARG 29 2HB ARG 29 -4.246 -4.873 0.372 215 2HB ARG 29 1HB ARG 29 -5.773 -5.507 -0.224 216 1HG ARG 29 2HG ARG 29 -5.377 -6.585 1.826 217 2HG ARG 29 1HG ARG 29 -4.993 -7.775 0.577 218 1HD ARG 29 2HD ARG 29 -3.328 -7.686 2.422 219 2HD ARG 29 1HD ARG 29 -2.638 -7.352 0.833 220 HE ARG 29 HE ARG 29 -3.088 -4.891 1.603 221 1HH1 ARG 29 2HH1 ARG 29 -1.822 -7.545 3.527 222 2HH1 ARG 29 1HH1 ARG 29 -0.962 -6.489 4.614 223 1HH2 ARG 29 1HH2 ARG 29 -1.963 -3.544 2.969 224 2HH2 ARG 29 2HH2 ARG 29 -1.059 -4.193 4.310 225 H PHE 30 H PHE 30 -5.370 -8.298 -1.318 226 HA PHE 30 HA PHE 30 -6.692 -7.784 -3.883 227 1HB PHE 30 2HB PHE 30 -6.479 -10.345 -2.276 228 2HB PHE 30 1HB PHE 30 -7.261 -10.188 -3.845 229 HD1 PHE 30 HD1 PHE 30 -5.985 -10.068 -5.864 230 HD2 PHE 30 HD2 PHE 30 -4.033 -10.201 -2.080 231 HE1 PHE 30 HE1 PHE 30 -3.850 -10.545 -6.983 232 HE2 PHE 30 HE2 PHE 30 -1.893 -10.678 -3.200 233 HZ PHE 30 HZ PHE 30 -1.801 -10.851 -5.655 234 H VAL 31 H VAL 31 -8.528 -6.635 -3.535 235 HA VAL 31 HA VAL 31 -10.146 -7.005 -1.196 236 HB VAL 31 HB VAL 31 -11.819 -5.562 -2.386 237 1HG1 VAL 31 1HG1 VAL 31 -10.492 -3.522 -2.227 238 2HG1 VAL 31 2HG1 VAL 31 -9.010 -4.477 -2.233 239 3HG1 VAL 31 3HG1 VAL 31 -10.143 -4.613 -0.887 240 1HG2 VAL 31 1HG2 VAL 31 -11.281 -6.156 -4.679 241 2HG2 VAL 31 2HG2 VAL 31 -9.678 -5.446 -4.504 242 3HG2 VAL 31 3HG2 VAL 31 -11.108 -4.417 -4.435 243 H ASP 32 H ASP 32 -10.036 -8.344 -4.378 244 HA ASP 32 HA ASP 32 -12.191 -10.176 -3.613 245 1HB ASP 32 2HB ASP 32 -13.110 -8.457 -5.179 246 2HB ASP 32 1HB ASP 32 -11.924 -8.967 -6.376 247 H ASN 33 H ASN 33 -10.290 -9.795 -6.585 248 HA ASN 33 HA ASN 33 -8.384 -11.797 -5.877 249 1HB ASN 33 2HB ASN 33 -10.317 -13.248 -6.387 250 2HB ASN 33 1HB ASN 33 -10.433 -12.519 -7.985 251 1HD2 ASN 33 1HD2 ASN 33 -8.530 -14.559 -5.895 252 2HD2 ASN 33 2HD2 ASN 33 -7.597 -15.312 -7.148 253 H ASN 34 H ASN 34 -9.989 -10.501 -8.795 254 HA ASN 34 HA ASN 34 -7.391 -10.064 -10.055 255 1HB ASN 34 2HB ASN 34 -9.326 -10.992 -11.333 256 2HB ASN 34 1HB ASN 34 -10.177 -9.471 -11.090 257 1HD2 ASN 34 1HD2 ASN 34 -10.324 -8.966 -13.244 258 2HD2 ASN 34 2HD2 ASN 34 -8.947 -8.549 -14.212 259 H GLU 35 H GLU 35 -9.354 -8.467 -7.960 260 HA GLU 35 HA GLU 35 -8.640 -5.798 -8.952 261 1HB GLU 35 2HB GLU 35 -10.653 -6.431 -6.794 262 2HB GLU 35 1HB GLU 35 -10.494 -4.948 -7.729 263 1HG GLU 35 2HG GLU 35 -11.145 -6.210 -9.756 264 2HG GLU 35 1HG GLU 35 -11.417 -7.628 -8.745 265 H ILE 36 H ILE 36 -6.900 -4.951 -8.011 266 HA ILE 36 HA ILE 36 -6.302 -5.741 -5.240 267 HB ILE 36 HB ILE 36 -3.934 -5.159 -5.720 268 1HG1 ILE 36 2HG1 ILE 36 -4.854 -5.018 -8.602 269 2HG1 ILE 36 1HG1 ILE 36 -4.354 -3.638 -7.629 270 1HG2 ILE 36 1HG2 ILE 36 -4.702 -7.473 -5.805 271 2HG2 ILE 36 2HG2 ILE 36 -3.424 -7.180 -6.985 272 3HG2 ILE 36 3HG2 ILE 36 -5.103 -7.283 -7.513 273 1HD1 ILE 36 1HD1 ILE 36 -2.623 -5.969 -8.425 274 2HD1 ILE 36 2HD1 ILE 36 -2.115 -4.605 -7.429 275 3HD1 ILE 36 3HD1 ILE 36 -2.574 -4.346 -9.111 276 H ASN 37 H ASN 37 -6.016 -4.215 -3.720 277 HA ASN 37 HA ASN 37 -6.449 -1.434 -4.588 278 1HB ASN 37 2HB ASN 37 -7.569 -0.993 -2.552 279 2HB ASN 37 1HB ASN 37 -8.177 -2.562 -3.069 280 1HD2 ASN 37 1HD2 ASN 37 -6.348 -0.839 -0.703 281 2HD2 ASN 37 2HD2 ASN 37 -6.116 -2.151 0.404 282 H ILE 38 H ILE 38 -5.003 0.109 -4.043 283 HA ILE 38 HA ILE 38 -2.613 -0.679 -2.609 284 HB ILE 38 HB ILE 38 -3.420 1.951 -3.867 285 1HG1 ILE 38 2HG1 ILE 38 -1.329 1.418 -5.258 286 2HG1 ILE 38 1HG1 ILE 38 -1.442 -0.205 -4.591 287 1HG2 ILE 38 1HG2 ILE 38 -1.143 2.738 -3.363 288 2HG2 ILE 38 2HG2 ILE 38 -0.869 1.278 -2.411 289 3HG2 ILE 38 3HG2 ILE 38 -2.092 2.445 -1.905 290 1HD1 ILE 38 1HD1 ILE 38 -2.437 -0.073 -6.801 291 2HD1 ILE 38 2HD1 ILE 38 -3.553 1.170 -6.234 292 3HD1 ILE 38 3HD1 ILE 38 -3.647 -0.465 -5.582 293 H ASP 39 H ASP 39 -2.951 -0.944 -0.485 294 HA ASP 39 HA ASP 39 -4.890 0.348 1.062 295 1HB ASP 39 2HB ASP 39 -2.265 -0.837 2.003 296 2HB ASP 39 1HB ASP 39 -3.646 -0.461 3.027 297 H HIS 40 H HIS 40 -1.391 0.818 1.399 298 HA HIS 40 HA HIS 40 -1.877 3.700 1.614 299 1HB HIS 40 2HB HIS 40 -0.309 3.912 3.460 300 2HB HIS 40 1HB HIS 40 -1.590 2.794 3.905 301 HD1 HIS 40 HD1 HIS 40 -0.884 0.532 4.722 302 HD2 HIS 40 HD2 HIS 40 2.215 2.587 2.851 303 HE1 HIS 40 HE1 HIS 40 1.190 -0.837 5.130 304 HE2 HIS 40 HE2 HIS 40 3.030 0.343 3.859 305 H THR 41 H THR 41 -0.228 5.010 0.850 306 HA THR 41 HA THR 41 1.955 3.613 -0.539 307 HB THR 41 HB THR 41 0.934 6.393 -1.155 308 HG1 THR 41 HG1 THR 41 0.299 3.944 -2.477 309 1HG2 THR 41 1HG2 THR 41 2.619 4.453 -2.747 310 2HG2 THR 41 2HG2 THR 41 3.205 5.895 -1.923 311 3HG2 THR 41 3HG2 THR 41 2.098 6.049 -3.285 312 H GLY 42 H GLY 42 3.506 3.584 1.005 313 1HA GLY 42 2HA GLY 42 3.776 5.772 2.877 314 2HA GLY 42 1HA GLY 42 4.697 4.275 2.873 315 H VAL 43 H VAL 43 4.267 7.108 0.772 316 HA VAL 43 HA VAL 43 7.149 7.125 0.255 317 HB VAL 43 HB VAL 43 4.942 8.808 -0.964 318 1HG1 VAL 43 1HG1 VAL 43 6.653 9.453 -2.619 319 2HG1 VAL 43 2HG1 VAL 43 7.867 8.589 -1.678 320 3HG1 VAL 43 3HG1 VAL 43 7.060 9.999 -0.991 321 1HG2 VAL 43 1HG2 VAL 43 5.117 7.441 -2.905 322 2HG2 VAL 43 2HG2 VAL 43 4.931 6.359 -1.525 323 3HG2 VAL 43 3HG2 VAL 43 6.516 6.592 -2.253 324 H SER 44 H SER 44 8.405 8.330 1.505 325 HA SER 44 HA SER 44 7.346 10.198 3.375 326 1HB SER 44 2HB SER 44 9.425 8.878 3.765 327 2HB SER 44 1HB SER 44 10.231 9.831 2.520 328 HG SER 44 HG SER 44 10.584 10.607 4.681 329 H ASP 45 H ASP 45 7.635 12.449 3.436 330 HA ASP 45 HA ASP 45 7.190 13.712 0.926 331 1HB ASP 45 2HB ASP 45 7.644 14.845 3.689 332 2HB ASP 45 1HB ASP 45 7.292 15.843 2.285 333 H GLU 46 H GLU 46 10.027 12.955 2.662 334 HA GLU 46 HA GLU 46 11.610 15.140 1.699 335 1HB GLU 46 2HB GLU 46 13.534 13.845 2.641 336 2HB GLU 46 1HB GLU 46 12.254 14.188 3.794 337 1HG GLU 46 2HG GLU 46 11.392 11.896 3.449 338 2HG GLU 46 1HG GLU 46 12.773 11.571 2.403 339 H LEU 47 H LEU 47 11.255 15.065 -0.508 340 HA LEU 47 HA LEU 47 12.133 14.874 -2.592 341 1HB LEU 47 2HB LEU 47 14.289 14.520 -1.329 342 2HB LEU 47 1HB LEU 47 14.027 12.797 -1.520 343 HG LEU 47 HG LEU 47 14.056 13.106 -3.988 344 1HD1 LEU 47 1HD1 LEU 47 14.900 15.916 -3.297 345 2HD1 LEU 47 2HD1 LEU 47 13.372 15.451 -4.043 346 3HD1 LEU 47 3HD1 LEU 47 14.887 15.204 -4.911 347 1HD2 LEU 47 1HD2 LEU 47 16.493 14.067 -2.493 348 2HD2 LEU 47 2HD2 LEU 47 16.482 13.472 -4.152 349 3HD2 LEU 47 3HD2 LEU 47 16.062 12.389 -2.824 350 H GLY 48 H GLY 48 10.593 12.419 -0.976 351 1HA GLY 48 2HA GLY 48 10.799 10.238 -2.741 352 2HA GLY 48 1HA GLY 48 9.472 10.526 -1.628 353 H GLY 49 H GLY 49 9.115 13.211 -3.046 354 1HA GLY 49 2HA GLY 49 7.142 12.246 -4.907 355 2HA GLY 49 1HA GLY 49 7.449 13.922 -4.486 356 H GLN 50 H GLN 50 10.417 12.800 -5.243 357 HA GLN 50 HA GLN 50 10.194 13.856 -7.960 358 1HB GLN 50 2HB GLN 50 11.913 14.808 -6.440 359 2HB GLN 50 1HB GLN 50 12.675 13.228 -6.344 360 1HG GLN 50 2HG GLN 50 13.001 13.326 -8.819 361 2HG GLN 50 1HG GLN 50 12.425 14.991 -8.769 362 1HE2 GLN 50 1HE2 GLN 50 14.353 15.831 -9.504 363 2HE2 GLN 50 2HE2 GLN 50 15.788 15.863 -8.534 364 H GLY 51 H GLY 51 9.254 12.037 -8.964 365 1HA GLY 51 2HA GLY 51 9.563 10.324 -10.487 366 2HA GLY 51 1HA GLY 51 11.245 10.238 -9.997 367 H VAL 52 H VAL 52 11.019 9.642 -7.324 368 HA VAL 52 HA VAL 52 11.002 6.897 -7.333 369 HB VAL 52 HB VAL 52 10.361 8.624 -4.938 370 1HG1 VAL 52 1HG1 VAL 52 11.373 6.817 -3.640 371 2HG1 VAL 52 2HG1 VAL 52 11.595 5.877 -5.114 372 3HG1 VAL 52 3HG1 VAL 52 9.968 6.248 -4.542 373 1HG2 VAL 52 1HG2 VAL 52 13.030 7.787 -6.072 374 2HG2 VAL 52 2HG2 VAL 52 12.791 8.604 -4.528 375 3HG2 VAL 52 3HG2 VAL 52 12.374 9.424 -6.031 376 H GLY 53 H GLY 53 8.345 9.002 -6.238 377 1HA GLY 53 2HA GLY 53 6.569 7.029 -5.415 378 2HA GLY 53 1HA GLY 53 6.093 8.606 -6.025 379 H LYS 54 H LYS 54 7.164 8.243 -8.678 380 HA LYS 54 HA LYS 54 4.875 6.849 -9.734 381 1HB LYS 54 2HB LYS 54 5.651 9.014 -10.682 382 2HB LYS 54 1HB LYS 54 7.117 8.215 -11.235 383 1HG LYS 54 2HG LYS 54 5.932 6.893 -12.789 384 2HG LYS 54 1HG LYS 54 4.378 7.313 -12.071 385 1HD LYS 54 2HD LYS 54 6.218 9.252 -13.476 386 2HD LYS 54 1HD LYS 54 4.806 8.489 -14.208 387 1HE LYS 54 2HE LYS 54 3.443 9.505 -12.341 388 2HE LYS 54 1HE LYS 54 4.876 10.434 -11.911 389 1HZ LYS 54 1HZ LYS 54 4.848 11.278 -14.262 390 2HZ LYS 54 2HZ LYS 54 3.567 11.800 -13.291 391 3HZ LYS 54 3HZ LYS 54 3.310 10.568 -14.428 392 H LYS 55 H LYS 55 8.211 6.154 -9.199 393 HA LYS 55 HA LYS 55 8.500 4.038 -11.067 394 1HB LYS 55 2HB LYS 55 9.872 4.439 -8.401 395 2HB LYS 55 1HB LYS 55 10.358 3.271 -9.620 396 1HG LYS 55 2HG LYS 55 10.768 5.145 -11.185 397 2HG LYS 55 1HG LYS 55 10.406 6.268 -9.873 398 1HD LYS 55 2HD LYS 55 12.788 6.031 -10.005 399 2HD LYS 55 1HD LYS 55 12.237 5.194 -8.553 400 1HE LYS 55 2HE LYS 55 12.338 3.058 -9.756 401 2HE LYS 55 1HE LYS 55 12.891 3.900 -11.202 402 1HZ LYS 55 1HZ LYS 55 14.803 3.030 -10.165 403 2HZ LYS 55 2HZ LYS 55 14.331 3.568 -8.634 404 3HZ LYS 55 3HZ LYS 55 14.817 4.691 -9.807 405 H LEU 56 H LEU 56 7.248 4.253 -7.801 406 HA LEU 56 HA LEU 56 6.865 1.462 -7.410 407 1HB LEU 56 2HB LEU 56 5.510 3.844 -6.150 408 2HB LEU 56 1HB LEU 56 5.290 2.190 -5.615 409 HG LEU 56 HG LEU 56 7.870 3.754 -5.543 410 1HD1 LEU 56 1HD1 LEU 56 6.249 4.456 -3.874 411 2HD1 LEU 56 2HD1 LEU 56 7.592 3.594 -3.124 412 3HD1 LEU 56 3HD1 LEU 56 6.043 2.784 -3.353 413 1HD2 LEU 56 1HD2 LEU 56 8.793 1.822 -4.374 414 2HD2 LEU 56 2HD2 LEU 56 8.266 1.379 -5.998 415 3HD2 LEU 56 3HD2 LEU 56 7.279 0.947 -4.602 416 H LEU 57 H LEU 57 4.812 4.083 -8.599 417 HA LEU 57 HA LEU 57 2.466 2.612 -8.982 418 1HB LEU 57 2HB LEU 57 3.581 5.120 -10.103 419 2HB LEU 57 1HB LEU 57 2.278 4.363 -10.998 420 HG LEU 57 HG LEU 57 0.840 4.470 -9.011 421 1HD1 LEU 57 1HD1 LEU 57 3.157 5.917 -7.741 422 2HD1 LEU 57 2HD1 LEU 57 2.525 4.337 -7.271 423 3HD1 LEU 57 3HD1 LEU 57 1.533 5.782 -7.067 424 1HD2 LEU 57 1HD2 LEU 57 2.089 7.112 -9.742 425 2HD2 LEU 57 2HD2 LEU 57 0.503 6.881 -9.006 426 3HD2 LEU 57 3HD2 LEU 57 0.813 6.287 -10.638 427 H LYS 58 H LYS 58 5.257 3.109 -11.119 428 HA LYS 58 HA LYS 58 4.318 1.783 -13.377 429 1HB LYS 58 2HB LYS 58 6.451 3.005 -13.369 430 2HB LYS 58 1HB LYS 58 7.149 1.793 -12.298 431 1HG LYS 58 2HG LYS 58 6.480 0.130 -14.176 432 2HG LYS 58 1HG LYS 58 6.416 1.574 -15.181 433 1HD LYS 58 2HD LYS 58 8.720 2.056 -14.760 434 2HD LYS 58 1HD LYS 58 8.818 0.777 -13.542 435 1HE LYS 58 2HE LYS 58 8.228 -0.857 -15.350 436 2HE LYS 58 1HE LYS 58 8.388 0.458 -16.508 437 1HZ LYS 58 1HZ LYS 58 10.583 -0.332 -14.684 438 2HZ LYS 58 2HZ LYS 58 10.679 0.641 -16.068 439 3HZ LYS 58 3HZ LYS 58 10.374 -1.020 -16.217 440 H ALA 59 H ALA 59 5.962 0.479 -10.526 441 HA ALA 59 HA ALA 59 6.325 -2.145 -11.329 442 1HB ALA 59 1HB ALA 59 5.668 -1.157 -8.556 443 2HB ALA 59 2HB ALA 59 7.275 -1.212 -9.280 444 3HB ALA 59 3HB ALA 59 6.401 -2.710 -8.955 445 H VAL 60 H VAL 60 3.523 -0.734 -9.666 446 HA VAL 60 HA VAL 60 2.108 -3.207 -9.565 447 HB VAL 60 HB VAL 60 1.065 -0.393 -9.190 448 1HG1 VAL 60 1HG1 VAL 60 -0.726 -1.974 -9.674 449 2HG1 VAL 60 2HG1 VAL 60 -0.782 -1.457 -7.988 450 3HG1 VAL 60 3HG1 VAL 60 -0.136 -3.046 -8.405 451 1HG2 VAL 60 1HG2 VAL 60 2.845 -0.933 -7.613 452 2HG2 VAL 60 2HG2 VAL 60 2.020 -2.430 -7.174 453 3HG2 VAL 60 3HG2 VAL 60 1.286 -0.872 -6.793 454 H VAL 61 H VAL 61 1.868 -0.331 -11.651 455 HA VAL 61 HA VAL 61 -0.384 -1.231 -13.110 456 HB VAL 61 HB VAL 61 1.747 0.763 -13.916 457 1HG1 VAL 61 1HG1 VAL 61 0.109 1.601 -15.530 458 2HG1 VAL 61 2HG1 VAL 61 -0.990 0.292 -15.095 459 3HG1 VAL 61 3HG1 VAL 61 0.551 -0.072 -15.873 460 1HG2 VAL 61 1HG2 VAL 61 0.118 2.439 -13.209 461 2HG2 VAL 61 2HG2 VAL 61 0.554 1.371 -11.876 462 3HG2 VAL 61 3HG2 VAL 61 -0.987 1.160 -12.707 463 H GLU 62 H GLU 62 3.080 -1.635 -13.578 464 HA GLU 62 HA GLU 62 3.075 -2.772 -16.130 465 1HB GLU 62 2HB GLU 62 5.137 -2.143 -15.025 466 2HB GLU 62 1HB GLU 62 4.862 -3.324 -13.755 467 1HG GLU 62 2HG GLU 62 5.036 -5.116 -15.468 468 2HG GLU 62 1HG GLU 62 5.480 -3.881 -16.645 469 H HIS 63 H HIS 63 2.885 -4.374 -12.956 470 HA HIS 63 HA HIS 63 2.545 -6.968 -14.075 471 1HB HIS 63 2HB HIS 63 3.408 -6.378 -11.740 472 2HB HIS 63 1HB HIS 63 1.720 -6.144 -11.294 473 HD1 HIS 63 HD1 HIS 63 3.391 -8.923 -13.298 474 HD2 HIS 63 HD2 HIS 63 1.042 -8.359 -9.904 475 HE1 HIS 63 HE1 HIS 63 2.912 -11.226 -12.404 476 HE2 HIS 63 HE2 HIS 63 1.690 -10.847 -10.232 477 H ALA 64 H ALA 64 0.405 -4.374 -13.199 478 HA ALA 64 HA ALA 64 -2.037 -5.802 -13.281 479 1HB ALA 64 1HB ALA 64 -3.093 -3.623 -13.543 480 2HB ALA 64 2HB ALA 64 -1.530 -2.895 -13.914 481 3HB ALA 64 3HB ALA 64 -1.836 -3.557 -12.309 482 H ARG 65 H ARG 65 -0.137 -4.114 -15.755 483 HA ARG 65 HA ARG 65 -1.848 -4.471 -17.936 484 1HB ARG 65 2HB ARG 65 1.150 -4.330 -17.714 485 2HB ARG 65 1HB ARG 65 0.370 -4.588 -19.265 486 1HG ARG 65 2HG ARG 65 -0.091 -2.222 -17.461 487 2HG ARG 65 1HG ARG 65 0.958 -2.243 -18.881 488 1HD ARG 65 2HD ARG 65 -1.155 -3.028 -20.139 489 2HD ARG 65 1HD ARG 65 -2.030 -2.419 -18.734 490 HE ARG 65 HE ARG 65 -0.214 -0.716 -20.334 491 1HH1 ARG 65 2HH1 ARG 65 -3.241 -1.254 -18.682 492 2HH1 ARG 65 1HH1 ARG 65 -3.896 0.292 -19.102 493 1HH2 ARG 65 1HH2 ARG 65 -1.084 1.325 -20.915 494 2HH2 ARG 65 2HH2 ARG 65 -2.685 1.762 -20.379 495 H GLU 66 H GLU 66 0.527 -6.632 -16.505 496 HA GLU 66 HA GLU 66 0.392 -8.645 -18.482 497 1HB GLU 66 2HB GLU 66 1.103 -9.012 -15.573 498 2HB GLU 66 1HB GLU 66 1.571 -10.043 -16.916 499 1HG GLU 66 2HG GLU 66 2.881 -8.155 -17.840 500 2HG GLU 66 1HG GLU 66 2.487 -7.229 -16.391 501 H ASN 67 H ASN 67 -1.085 -8.464 -15.238 502 HA ASN 67 HA ASN 67 -2.452 -10.981 -15.738 503 1HB ASN 67 2HB ASN 67 -2.154 -9.235 -13.303 504 2HB ASN 67 1HB ASN 67 -3.230 -10.623 -13.326 505 1HD2 ASN 67 1HD2 ASN 67 -0.246 -10.687 -15.104 506 2HD2 ASN 67 2HD2 ASN 67 0.585 -11.786 -14.054 507 H ASN 68 H ASN 68 -3.145 -7.806 -16.351 508 HA ASN 68 HA ASN 68 -5.030 -6.689 -16.968 509 1HB ASN 68 2HB ASN 68 -6.188 -9.473 -16.843 510 2HB ASN 68 1HB ASN 68 -7.185 -8.074 -17.224 511 1HD2 ASN 68 1HD2 ASN 68 -3.849 -8.394 -18.239 512 2HD2 ASN 68 2HD2 ASN 68 -4.182 -8.572 -19.924 513 H LEU 69 H LEU 69 -4.185 -6.770 -14.305 514 HA LEU 69 HA LEU 69 -6.329 -7.271 -12.490 515 1HB LEU 69 2HB LEU 69 -3.751 -5.743 -12.116 516 2HB LEU 69 1HB LEU 69 -4.840 -6.207 -10.825 517 HG LEU 69 HG LEU 69 -3.456 -8.207 -12.611 518 1HD1 LEU 69 1HD1 LEU 69 -1.882 -8.546 -10.777 519 2HD1 LEU 69 2HD1 LEU 69 -2.627 -7.222 -9.880 520 3HD1 LEU 69 3HD1 LEU 69 -1.787 -6.898 -11.397 521 1HD2 LEU 69 1HD2 LEU 69 -4.026 -9.778 -10.835 522 2HD2 LEU 69 2HD2 LEU 69 -5.476 -9.013 -11.489 523 3HD2 LEU 69 3HD2 LEU 69 -4.825 -8.488 -9.936 524 H LYS 70 H LYS 70 -7.508 -5.778 -11.279 525 HA LYS 70 HA LYS 70 -7.892 -3.172 -12.544 526 1HB LYS 70 2HB LYS 70 -9.408 -4.435 -10.253 527 2HB LYS 70 1HB LYS 70 -9.862 -2.979 -11.124 528 1HG LYS 70 2HG LYS 70 -10.144 -4.326 -13.168 529 2HG LYS 70 1HG LYS 70 -9.776 -5.777 -12.229 530 1HD LYS 70 2HD LYS 70 -11.674 -5.146 -10.710 531 2HD LYS 70 1HD LYS 70 -12.099 -3.894 -11.876 532 1HE LYS 70 2HE LYS 70 -12.396 -5.584 -13.601 533 2HE LYS 70 1HE LYS 70 -11.941 -6.845 -12.456 534 1HZ LYS 70 1HZ LYS 70 -13.863 -6.232 -11.097 535 2HZ LYS 70 2HZ LYS 70 -14.327 -6.711 -12.660 536 3HZ LYS 70 3HZ LYS 70 -14.311 -5.065 -12.248 537 H ILE 71 H ILE 71 -7.342 -1.274 -11.601 538 HA ILE 71 HA ILE 71 -5.778 -1.490 -9.118 539 HB ILE 71 HB ILE 71 -5.579 0.561 -11.332 540 1HG1 ILE 71 2HG1 ILE 71 -4.712 -1.634 -11.980 541 2HG1 ILE 71 1HG1 ILE 71 -3.397 -0.479 -11.787 542 1HG2 ILE 71 1HG2 ILE 71 -5.060 1.526 -9.153 543 2HG2 ILE 71 2HG2 ILE 71 -3.610 1.392 -10.146 544 3HG2 ILE 71 3HG2 ILE 71 -3.899 0.235 -8.847 545 1HD1 ILE 71 1HD1 ILE 71 -2.889 -1.427 -9.598 546 2HD1 ILE 71 2HD1 ILE 71 -2.818 -2.646 -10.870 547 3HD1 ILE 71 3HD1 ILE 71 -4.211 -2.580 -9.791 548 H ILE 72 H ILE 72 -6.859 -0.826 -7.407 549 HA ILE 72 HA ILE 72 -8.079 1.844 -7.540 550 HB ILE 72 HB ILE 72 -9.596 1.133 -5.637 551 1HG1 ILE 72 2HG1 ILE 72 -8.309 -1.085 -5.312 552 2HG1 ILE 72 1HG1 ILE 72 -10.064 -1.117 -5.180 553 1HG2 ILE 72 1HG2 ILE 72 -10.435 1.584 -7.856 554 2HG2 ILE 72 2HG2 ILE 72 -11.312 0.236 -7.131 555 3HG2 ILE 72 3HG2 ILE 72 -10.078 -0.070 -8.352 556 1HD1 ILE 72 1HD1 ILE 72 -9.253 -3.032 -6.414 557 2HD1 ILE 72 2HD1 ILE 72 -8.441 -1.975 -7.572 558 3HD1 ILE 72 3HD1 ILE 72 -10.203 -1.986 -7.467 559 H ALA 73 H ALA 73 -7.788 3.121 -5.627 560 HA ALA 73 HA ALA 73 -5.659 2.085 -3.880 561 1HB ALA 73 1HB ALA 73 -4.533 4.243 -3.977 562 2HB ALA 73 2HB ALA 73 -5.756 4.842 -5.099 563 3HB ALA 73 3HB ALA 73 -4.676 3.536 -5.585 564 H SER 74 H SER 74 -5.788 2.591 -1.768 565 HA SER 74 HA SER 74 -8.182 3.991 -0.860 566 1HB SER 74 2HB SER 74 -7.466 1.747 0.094 567 2HB SER 74 1HB SER 74 -6.081 2.574 0.804 568 HG SER 74 HG SER 74 -7.482 3.811 2.047 569 H CYS 75 H CYS 75 -4.672 4.161 -0.753 570 HA CYS 75 HA CYS 75 -4.412 6.422 0.899 571 1HB CYS 75 2HB CYS 75 -2.520 4.950 0.363 572 2HB CYS 75 1HB CYS 75 -2.604 5.438 -1.325 573 HG CYS 75 HG CYS 75 -2.124 7.865 0.995 574 H SER 76 H SER 76 -5.092 8.403 0.551 575 HA SER 76 HA SER 76 -6.380 9.258 -1.750 576 1HB SER 76 2HB SER 76 -5.092 11.048 0.318 577 2HB SER 76 1HB SER 76 -6.491 11.414 -0.694 578 HG SER 76 HG SER 76 -7.476 9.503 0.382 579 H PHE 77 H PHE 77 -3.023 9.728 -0.766 580 HA PHE 77 HA PHE 77 -2.259 11.649 -2.638 581 1HB PHE 77 2HB PHE 77 -0.853 10.990 -0.738 582 2HB PHE 77 1HB PHE 77 -0.622 9.396 -1.446 583 HD1 PHE 77 HD1 PHE 77 1.145 8.998 -2.914 584 HD2 PHE 77 HD2 PHE 77 0.013 13.003 -2.032 585 HE1 PHE 77 HE1 PHE 77 3.138 9.819 -4.099 586 HE2 PHE 77 HE2 PHE 77 2.002 13.831 -3.216 587 HZ PHE 77 HZ PHE 77 3.572 12.239 -4.250 588 H ALA 78 H ALA 78 -1.865 8.108 -2.848 589 HA ALA 78 HA ALA 78 -0.943 8.143 -5.528 590 1HB ALA 78 1HB ALA 78 -1.218 5.731 -5.472 591 2HB ALA 78 2HB ALA 78 -2.165 5.858 -3.988 592 3HB ALA 78 3HB ALA 78 -0.459 6.303 -3.987 593 H LYS 79 H LYS 79 -4.100 7.681 -4.054 594 HA LYS 79 HA LYS 79 -5.525 6.807 -6.291 595 1HB LYS 79 2HB LYS 79 -6.215 6.933 -3.804 596 2HB LYS 79 1HB LYS 79 -6.688 8.585 -4.155 597 1HG LYS 79 2HG LYS 79 -7.757 6.330 -5.800 598 2HG LYS 79 1HG LYS 79 -8.452 6.697 -4.223 599 1HD LYS 79 2HD LYS 79 -8.850 9.023 -4.994 600 2HD LYS 79 1HD LYS 79 -8.257 8.559 -6.592 601 1HE LYS 79 2HE LYS 79 -10.033 6.914 -6.795 602 2HE LYS 79 1HE LYS 79 -10.605 7.300 -5.173 603 1HZ LYS 79 1HZ LYS 79 -10.549 9.196 -7.465 604 2HZ LYS 79 2HZ LYS 79 -11.158 9.517 -5.919 605 3HZ LYS 79 3HZ LYS 79 -11.923 8.373 -6.909 606 H HIS 80 H HIS 80 -4.904 10.089 -5.091 607 HA HIS 80 HA HIS 80 -6.475 11.383 -7.078 608 1HB HIS 80 2HB HIS 80 -5.941 12.411 -4.898 609 2HB HIS 80 1HB HIS 80 -4.247 12.499 -5.366 610 HD1 HIS 80 HD1 HIS 80 -3.614 14.775 -6.053 611 HD2 HIS 80 HD2 HIS 80 -7.564 13.911 -7.046 612 HE1 HIS 80 HE1 HIS 80 -4.512 16.852 -7.151 613 HE2 HIS 80 HE2 HIS 80 -6.953 16.376 -7.557 614 H MET 81 H MET 81 -3.195 10.234 -6.983 615 HA MET 81 HA MET 81 -2.322 11.795 -9.233 616 1HB MET 81 2HB MET 81 -0.690 11.107 -7.586 617 2HB MET 81 1HB MET 81 -1.090 9.414 -7.838 618 1HG MET 81 2HG MET 81 -0.048 9.357 -9.923 619 2HG MET 81 1HG MET 81 -0.031 11.113 -10.066 620 1HE MET 81 1HE MET 81 2.550 9.044 -6.848 621 2HE MET 81 2HE MET 81 1.413 8.126 -7.835 622 3HE MET 81 3HE MET 81 0.818 9.359 -6.722 623 H LEU 82 H LEU 82 -3.354 8.444 -8.705 624 HA LEU 82 HA LEU 82 -3.098 7.584 -11.391 625 1HB LEU 82 2HB LEU 82 -5.020 6.636 -9.261 626 2HB LEU 82 1HB LEU 82 -4.649 5.782 -10.744 627 HG LEU 82 HG LEU 82 -2.630 6.369 -8.580 628 1HD1 LEU 82 1HD1 LEU 82 -2.827 3.959 -8.066 629 2HD1 LEU 82 2HD1 LEU 82 -4.211 3.870 -9.156 630 3HD1 LEU 82 3HD1 LEU 82 -4.295 4.867 -7.704 631 1HD2 LEU 82 1HD2 LEU 82 -1.270 4.724 -9.758 632 2HD2 LEU 82 2HD2 LEU 82 -1.664 6.090 -10.801 633 3HD2 LEU 82 3HD2 LEU 82 -2.522 4.561 -10.989 634 H GLU 83 H GLU 83 -5.458 9.406 -9.677 635 HA GLU 83 HA GLU 83 -7.608 9.110 -11.543 636 1HB GLU 83 2HB GLU 83 -7.961 9.503 -9.149 637 2HB GLU 83 1HB GLU 83 -7.158 11.060 -9.277 638 1HG GLU 83 2HG GLU 83 -8.953 11.846 -10.751 639 2HG GLU 83 1HG GLU 83 -9.761 10.285 -10.576 640 H LYS 84 H LYS 84 -4.818 11.089 -11.386 641 HA LYS 84 HA LYS 84 -6.062 13.199 -12.986 642 1HB LYS 84 2HB LYS 84 -4.659 13.785 -10.986 643 2HB LYS 84 1HB LYS 84 -3.263 13.156 -11.852 644 1HG LYS 84 2HG LYS 84 -3.676 14.809 -13.640 645 2HG LYS 84 1HG LYS 84 -4.994 15.474 -12.677 646 1HD LYS 84 2HD LYS 84 -3.092 16.850 -12.298 647 2HD LYS 84 1HD LYS 84 -3.320 15.873 -10.846 648 1HE LYS 84 2HE LYS 84 -1.565 14.365 -11.537 649 2HE LYS 84 1HE LYS 84 -1.393 15.220 -13.069 650 1HZ LYS 84 1HZ LYS 84 -0.777 17.220 -11.750 651 2HZ LYS 84 2HZ LYS 84 0.331 15.947 -11.628 652 3HZ LYS 84 3HZ LYS 84 -0.749 16.252 -10.356 653 H GLU 85 H GLU 85 -3.491 10.789 -13.150 654 HA GLU 85 HA GLU 85 -2.594 11.836 -15.705 655 1HB GLU 85 2HB GLU 85 -1.032 11.087 -13.866 656 2HB GLU 85 1HB GLU 85 -1.518 9.437 -14.229 657 1HG GLU 85 2HG GLU 85 -0.259 9.338 -16.077 658 2HG GLU 85 1HG GLU 85 -0.647 10.992 -16.555 659 H ASP 86 H ASP 86 -2.609 10.747 -17.637 660 HA ASP 86 HA ASP 86 -5.009 9.223 -18.027 661 1HB ASP 86 2HB ASP 86 -2.878 10.083 -19.994 662 2HB ASP 86 1HB ASP 86 -4.420 9.360 -20.431 663 H SER 87 H SER 87 -1.633 8.466 -17.794 664 HA SER 87 HA SER 87 -1.578 6.158 -19.402 665 1HB SER 87 2HB SER 87 0.519 5.656 -18.006 666 2HB SER 87 1HB SER 87 0.494 7.160 -18.929 667 HG SER 87 HG SER 87 1.206 7.353 -16.690 668 H TYR 88 H TYR 88 -2.981 6.635 -16.346 669 HA TYR 88 HA TYR 88 -2.753 3.784 -15.671 670 1HB TYR 88 2HB TYR 88 -3.734 6.016 -13.884 671 2HB TYR 88 1HB TYR 88 -3.284 4.381 -13.407 672 HD1 TYR 88 HD1 TYR 88 -0.773 3.737 -14.108 673 HD2 TYR 88 HD2 TYR 88 -2.215 7.686 -13.475 674 HE1 TYR 88 HE1 TYR 88 1.523 4.501 -13.673 675 HE2 TYR 88 HE2 TYR 88 0.076 8.459 -13.041 676 HH TYR 88 HH TYR 88 2.218 7.541 -12.325 677 H GLN 89 H GLN 89 -4.789 5.738 -17.299 678 HA GLN 89 HA GLN 89 -7.257 5.337 -15.912 679 1HB GLN 89 2HB GLN 89 -6.663 7.306 -17.347 680 2HB GLN 89 1HB GLN 89 -6.847 6.269 -18.753 681 1HG GLN 89 2HG GLN 89 -9.186 5.958 -18.281 682 2HG GLN 89 1HG GLN 89 -9.034 6.835 -16.759 683 1HE2 GLN 89 1HE2 GLN 89 -7.243 8.826 -17.893 684 2HE2 GLN 89 2HE2 GLN 89 -8.217 9.862 -18.874 685 H ASP 90 H ASP 90 -5.495 3.161 -17.598 686 HA ASP 90 HA ASP 90 -7.795 1.831 -18.825 687 1HB ASP 90 2HB ASP 90 -4.896 0.969 -18.793 688 2HB ASP 90 1HB ASP 90 -6.190 0.228 -19.726 689 H VAL 91 H VAL 91 -5.469 1.423 -16.225 690 HA VAL 91 HA VAL 91 -6.730 -1.114 -15.488 691 HB VAL 91 HB VAL 91 -4.788 -1.343 -13.902 692 1HG1 VAL 91 1HG1 VAL 91 -3.188 -1.951 -15.662 693 2HG1 VAL 91 2HG1 VAL 91 -4.165 -1.073 -16.840 694 3HG1 VAL 91 3HG1 VAL 91 -4.824 -2.497 -16.033 695 1HG2 VAL 91 1HG2 VAL 91 -2.817 0.049 -14.280 696 2HG2 VAL 91 2HG2 VAL 91 -4.183 1.023 -13.738 697 3HG2 VAL 91 3HG2 VAL 91 -3.720 1.026 -15.439 698 H TYR 92 H TYR 92 -6.072 2.118 -14.287 699 HA TYR 92 HA TYR 92 -7.118 1.660 -11.675 700 1HB TYR 92 2HB TYR 92 -5.640 3.498 -11.865 701 2HB TYR 92 1HB TYR 92 -6.475 4.134 -13.275 702 HD1 TYR 92 HD1 TYR 92 -7.123 3.422 -9.657 703 HD2 TYR 92 HD2 TYR 92 -7.842 5.954 -12.999 704 HE1 TYR 92 HE1 TYR 92 -8.392 4.959 -8.215 705 HE2 TYR 92 HE2 TYR 92 -9.114 7.493 -11.570 706 HH TYR 92 HH TYR 92 -10.309 7.504 -9.495 707 H LEU 93 H LEU 93 -9.160 1.587 -11.034 708 HA LEU 93 HA LEU 93 -11.261 1.735 -12.984 709 1HB LEU 93 2HB LEU 93 -11.373 1.310 -9.997 710 2HB LEU 93 1HB LEU 93 -12.739 1.150 -11.087 711 HG LEU 93 HG LEU 93 -10.252 -0.560 -11.106 712 1HD1 LEU 93 1HD1 LEU 93 -13.087 -1.163 -10.277 713 2HD1 LEU 93 2HD1 LEU 93 -11.683 -1.054 -9.216 714 3HD1 LEU 93 3HD1 LEU 93 -11.788 -2.349 -10.408 715 1HD2 LEU 93 1HD2 LEU 93 -11.125 -0.263 -13.354 716 2HD2 LEU 93 2HD2 LEU 93 -12.741 -0.708 -12.803 717 3HD2 LEU 93 3HD2 LEU 93 -11.441 -1.900 -12.779 718 H GLY 94 H GLY 94 -10.806 4.007 -13.502 719 1HA GLY 94 2HA GLY 94 -11.765 5.944 -11.537 720 2HA GLY 94 1HA GLY 94 -10.996 6.316 -13.073 721 H LEU 95 H LEU 95 -13.345 3.956 -13.446 722 HA LEU 95 HA LEU 95 -14.986 5.549 -15.065 723 1HB LEU 95 2HB LEU 95 -16.487 3.691 -15.205 724 2HB LEU 95 1HB LEU 95 -14.848 3.076 -15.232 725 HG LEU 95 HG LEU 95 -16.486 3.098 -12.703 726 1HD1 LEU 95 1HD1 LEU 95 -17.078 0.770 -13.194 727 2HD1 LEU 95 2HD1 LEU 95 -16.333 0.919 -14.786 728 3HD1 LEU 95 3HD1 LEU 95 -17.757 1.879 -14.385 729 1HD2 LEU 95 1HD2 LEU 95 -14.959 1.307 -12.056 730 2HD2 LEU 95 2HD2 LEU 95 -14.072 2.774 -12.469 731 3HD2 LEU 95 3HD2 LEU 95 -14.138 1.432 -13.611 732 H GLU 96 H GLU 96 -15.227 4.627 -11.677 733 HA GLU 96 HA GLU 96 -17.652 6.216 -11.425 734 1HB GLU 96 2HB GLU 96 -16.329 4.209 -9.640 735 2HB GLU 96 1HB GLU 96 -17.513 5.339 -8.992 736 1HG GLU 96 2HG GLU 96 -17.936 3.314 -11.172 737 2HG GLU 96 1HG GLU 96 -18.623 3.299 -9.547 738 H HIS 97 H HIS 97 -16.714 8.195 -11.760 739 HA HIS 97 HA HIS 97 -15.182 9.236 -9.472 740 1HB HIS 97 2HB HIS 97 -14.712 11.203 -10.997 741 2HB HIS 97 1HB HIS 97 -13.975 9.686 -11.494 742 HD1 HIS 97 HD1 HIS 97 -16.355 12.306 -12.600 743 HD2 HIS 97 HD2 HIS 97 -15.169 8.503 -13.810 744 HE1 HIS 97 HE1 HIS 97 -17.217 12.034 -14.947 745 HE2 HIS 97 HE2 HIS 97 -16.531 9.710 -15.647 746 H HIS 98 H HIS 98 -17.874 8.606 -9.343 747 HA HIS 98 HA HIS 98 -19.680 10.655 -9.933 748 1HB HIS 98 2HB HIS 98 -20.171 8.238 -9.341 749 2HB HIS 98 1HB HIS 98 -19.916 8.678 -7.659 750 HD1 HIS 98 HD1 HIS 98 -22.057 9.029 -6.493 751 HD2 HIS 98 HD2 HIS 98 -22.267 10.162 -10.493 752 HE1 HIS 98 HE1 HIS 98 -24.417 9.820 -6.855 753 HE2 HIS 98 HE2 HIS 98 -24.534 10.485 -9.284 754 H HIS 99 H HIS 99 -19.867 12.598 -9.122 755 HA HIS 99 HA HIS 99 -19.708 14.431 -7.815 756 1HB HIS 99 2HB HIS 99 -21.102 13.068 -6.253 757 2HB HIS 99 1HB HIS 99 -19.622 12.540 -5.457 758 HD1 HIS 99 HD1 HIS 99 -21.442 15.784 -6.246 759 HD2 HIS 99 HD2 HIS 99 -18.838 14.182 -3.419 760 HE1 HIS 99 HE1 HIS 99 -21.178 17.557 -4.485 761 HE2 HIS 99 HE2 HIS 99 -19.467 16.645 -2.880 762 H HIS 100 H HIS 100 -17.772 15.183 -8.487 763 HA HIS 100 HA HIS 100 -15.467 14.572 -6.768 764 1HB HIS 100 2HB HIS 100 -15.299 13.390 -8.968 765 2HB HIS 100 1HB HIS 100 -15.339 14.957 -9.768 766 HD1 HIS 100 HD1 HIS 100 -13.175 16.295 -9.851 767 HD2 HIS 100 HD2 HIS 100 -12.892 12.839 -7.553 768 HE1 HIS 100 HE1 HIS 100 -10.728 15.996 -9.371 769 HE2 HIS 100 HE2 HIS 100 -10.568 13.751 -8.229 770 H HIS 101 H HIS 101 -15.622 16.475 -5.612 771 HA HIS 101 HA HIS 101 -14.826 18.861 -7.091 772 1HB HIS 101 2HB HIS 101 -17.329 18.910 -6.836 773 2HB HIS 101 1HB HIS 101 -17.095 18.936 -5.091 774 HD1 HIS 101 HD1 HIS 101 -16.721 21.054 -8.163 775 HD2 HIS 101 HD2 HIS 101 -16.286 21.403 -4.035 776 HE1 HIS 101 HE1 HIS 101 -16.490 23.521 -7.704 777 HE2 HIS 101 HE2 HIS 101 -16.372 23.720 -5.193 778 H HIS 102 HN HIS 102 -12.954 19.345 -6.195 779 HA HIS 102 HA HIS 102 -12.814 20.056 -3.423 780 1HB HIS 102 2HB HIS 102 -12.449 17.603 -3.278 781 2HB HIS 102 1HB HIS 102 -11.089 17.757 -4.384 782 HD1 HIS 102 HD1 HIS 102 -8.864 18.081 -3.323 783 HD2 HIS 102 HD2 HIS 102 -11.985 19.107 -0.769 784 HE1 HIS 102 HE1 HIS 102 -7.792 18.583 -1.103 785 HE2 HIS 102 HE2 HIS 102 -9.713 19.031 0.471 Start of MODEL 11 1 1H MET 1 1H MET 1 22.718 -1.399 -7.065 2 2H MET 1 2H MET 1 21.404 -1.606 -6.004 3 3H MET 1 3H MET 1 22.557 -2.835 -6.179 4 HA MET 1 HA MET 1 22.796 -1.559 -4.116 5 1HB MET 1 2HB MET 1 25.040 -1.499 -6.139 6 2HB MET 1 1HB MET 1 25.267 -1.086 -4.446 7 1HG MET 1 2HG MET 1 25.948 -3.353 -4.814 8 2HG MET 1 1HG MET 1 24.493 -3.338 -3.821 9 1HE MET 1 1HE MET 1 24.073 -5.930 -4.290 10 2HE MET 1 2HE MET 1 25.578 -5.934 -5.208 11 3HE MET 1 3HE MET 1 24.119 -6.634 -5.907 12 H SER 2 H SER 2 24.368 0.359 -6.661 13 HA SER 2 HA SER 2 23.582 2.780 -5.218 14 1HB SER 2 2HB SER 2 25.979 2.466 -5.786 15 2HB SER 2 1HB SER 2 25.554 2.426 -7.497 16 HG SER 2 HG SER 2 25.281 4.529 -7.501 17 H ASN 3 H ASN 3 21.367 2.458 -5.930 18 HA ASN 3 HA ASN 3 20.620 4.022 -8.129 19 1HB ASN 3 2HB ASN 3 19.713 2.308 -9.649 20 2HB ASN 3 1HB ASN 3 21.457 2.152 -9.490 21 1HD2 ASN 3 1HD2 ASN 3 18.399 0.673 -8.973 22 2HD2 ASN 3 2HD2 ASN 3 18.992 -0.849 -8.404 23 H LEU 4 H LEU 4 18.233 3.926 -8.501 24 HA LEU 4 HA LEU 4 16.880 3.410 -5.998 25 1HB LEU 4 2HB LEU 4 15.825 4.488 -8.611 26 2HB LEU 4 1HB LEU 4 14.909 4.396 -7.120 27 HG LEU 4 HG LEU 4 17.368 6.091 -7.573 28 1HD1 LEU 4 1HD1 LEU 4 15.824 7.973 -7.439 29 2HD1 LEU 4 2HD1 LEU 4 14.465 6.858 -7.289 30 3HD1 LEU 4 3HD1 LEU 4 15.408 6.904 -8.779 31 1HD2 LEU 4 1HD2 LEU 4 15.532 5.927 -5.183 32 2HD2 LEU 4 2HD2 LEU 4 16.889 7.036 -5.382 33 3HD2 LEU 4 3HD2 LEU 4 17.178 5.300 -5.259 34 H GLU 5 H GLU 5 17.151 1.138 -6.004 35 HA GLU 5 HA GLU 5 15.808 -0.414 -8.057 36 1HB GLU 5 2HB GLU 5 16.652 -2.352 -6.631 37 2HB GLU 5 1HB GLU 5 17.872 -1.347 -7.405 38 1HG GLU 5 2HG GLU 5 18.238 -0.154 -5.324 39 2HG GLU 5 1HG GLU 5 16.983 -1.109 -4.538 40 H ILE 6 H ILE 6 14.040 -1.701 -7.729 41 HA ILE 6 HA ILE 6 12.348 -0.908 -5.494 42 HB ILE 6 HB ILE 6 11.669 -2.644 -7.876 43 1HG1 ILE 6 2HG1 ILE 6 11.132 0.301 -7.405 44 2HG1 ILE 6 1HG1 ILE 6 12.301 -0.354 -8.545 45 1HG2 ILE 6 1HG2 ILE 6 10.192 -3.037 -5.995 46 2HG2 ILE 6 2HG2 ILE 6 9.336 -2.152 -7.258 47 3HG2 ILE 6 3HG2 ILE 6 9.910 -1.304 -5.822 48 1HD1 ILE 6 1HD1 ILE 6 9.313 -0.698 -8.663 49 2HD1 ILE 6 2HD1 ILE 6 10.467 -1.404 -9.796 50 3HD1 ILE 6 3HD1 ILE 6 10.293 0.348 -9.690 51 H LYS 7 H LYS 7 12.433 -2.062 -3.688 52 HA LYS 7 HA LYS 7 13.193 -4.854 -3.699 53 1HB LYS 7 2HB LYS 7 12.585 -2.808 -1.626 54 2HB LYS 7 1HB LYS 7 12.307 -4.487 -1.197 55 1HG LYS 7 2HG LYS 7 14.453 -4.012 -0.428 56 2HG LYS 7 1HG LYS 7 14.700 -4.912 -1.920 57 1HD LYS 7 2HD LYS 7 15.315 -2.963 -3.109 58 2HD LYS 7 1HD LYS 7 14.721 -1.907 -1.822 59 1HE LYS 7 2HE LYS 7 16.466 -2.674 -0.333 60 2HE LYS 7 1HE LYS 7 17.019 -3.840 -1.534 61 1HZ LYS 7 1HZ LYS 7 17.748 -2.088 -2.939 62 2HZ LYS 7 2HZ LYS 7 18.368 -1.782 -1.390 63 3HZ LYS 7 3HZ LYS 7 17.035 -0.905 -1.956 64 H GLN 8 H GLN 8 11.787 -6.434 -4.100 65 HA GLN 8 HA GLN 8 8.932 -5.884 -3.840 66 1HB GLN 8 2HB GLN 8 8.538 -7.841 -5.170 67 2HB GLN 8 1HB GLN 8 9.792 -6.901 -5.957 68 1HG GLN 8 2HG GLN 8 10.401 -9.242 -4.177 69 2HG GLN 8 1HG GLN 8 10.091 -9.411 -5.901 70 1HE2 GLN 8 1HE2 GLN 8 11.393 -6.889 -6.566 71 2HE2 GLN 8 2HE2 GLN 8 13.093 -7.185 -6.419 72 H GLY 9 H GLY 9 7.652 -6.853 -2.357 73 1HA GLY 9 2HA GLY 9 8.645 -9.112 -0.826 74 2HA GLY 9 1HA GLY 9 8.464 -7.613 0.073 75 H GLU 10 H GLU 10 7.033 -9.200 1.235 76 HA GLU 10 HA GLU 10 4.635 -10.178 0.290 77 1HB GLU 10 2HB GLU 10 5.631 -10.688 2.496 78 2HB GLU 10 1HB GLU 10 5.188 -9.080 3.048 79 1HG GLU 10 2HG GLU 10 2.808 -9.665 2.596 80 2HG GLU 10 1HG GLU 10 3.338 -11.316 2.274 81 H ASN 11 H ASN 11 3.457 -8.875 -1.012 82 HA ASN 11 HA ASN 11 1.773 -7.465 -1.559 83 1HB ASN 11 2HB ASN 11 1.565 -7.304 1.441 84 2HB ASN 11 1HB ASN 11 0.472 -6.424 0.380 85 1HD2 ASN 11 1HD2 ASN 11 0.389 -8.475 -1.639 86 2HD2 ASN 11 2HD2 ASN 11 -0.567 -9.763 -0.996 87 H LYS 12 H LYS 12 4.633 -6.408 -0.907 88 HA LYS 12 HA LYS 12 3.843 -3.615 -1.185 89 1HB LYS 12 2HB LYS 12 5.331 -2.793 0.500 90 2HB LYS 12 1HB LYS 12 4.285 -3.996 1.236 91 1HG LYS 12 2HG LYS 12 6.024 -5.589 1.338 92 2HG LYS 12 1HG LYS 12 7.058 -4.634 0.272 93 1HD LYS 12 2HD LYS 12 7.929 -4.230 2.406 94 2HD LYS 12 1HD LYS 12 6.919 -2.821 2.087 95 1HE LYS 12 2HE LYS 12 6.253 -3.331 4.214 96 2HE LYS 12 1HE LYS 12 5.084 -4.268 3.283 97 1HZ LYS 12 1HZ LYS 12 6.591 -6.205 3.548 98 2HZ LYS 12 2HZ LYS 12 5.946 -5.638 5.009 99 3HZ LYS 12 3HZ LYS 12 7.552 -5.276 4.594 100 H PHE 13 H PHE 13 5.048 -2.462 -2.510 101 HA PHE 13 HA PHE 13 7.722 -3.473 -3.252 102 1HB PHE 13 2HB PHE 13 5.794 -1.858 -4.952 103 2HB PHE 13 1HB PHE 13 7.440 -2.266 -5.411 104 HD1 PHE 13 HD1 PHE 13 4.261 -3.014 -6.170 105 HD2 PHE 13 HD2 PHE 13 7.796 -5.014 -4.910 106 HE1 PHE 13 HE1 PHE 13 3.441 -5.096 -7.194 107 HE2 PHE 13 HE2 PHE 13 6.985 -7.101 -5.927 108 HZ PHE 13 HZ PHE 13 4.807 -7.142 -7.078 109 H TYR 14 H TYR 14 9.330 -2.141 -2.598 110 HA TYR 14 HA TYR 14 8.675 0.682 -2.185 111 1HB TYR 14 2HB TYR 14 9.729 0.670 0.046 112 2HB TYR 14 1HB TYR 14 8.285 -0.328 -0.024 113 HD1 TYR 14 HD1 TYR 14 8.568 -2.837 -0.200 114 HD2 TYR 14 HD2 TYR 14 11.787 -0.225 0.752 115 HE1 TYR 14 HE1 TYR 14 9.812 -4.731 0.749 116 HE2 TYR 14 HE2 TYR 14 13.046 -2.113 1.703 117 HH TYR 14 HH TYR 14 12.654 -4.314 2.619 118 H ILE 15 H ILE 15 10.332 2.105 -2.355 119 HA ILE 15 HA ILE 15 12.933 0.961 -3.095 120 HB ILE 15 HB ILE 15 11.726 3.603 -3.931 121 1HG1 ILE 15 2HG1 ILE 15 12.554 1.154 -5.506 122 2HG1 ILE 15 1HG1 ILE 15 10.900 1.632 -5.150 123 1HG2 ILE 15 1HG2 ILE 15 13.800 3.925 -5.236 124 2HG2 ILE 15 2HG2 ILE 15 14.484 2.496 -4.461 125 3HG2 ILE 15 3HG2 ILE 15 14.090 3.917 -3.497 126 1HD1 ILE 15 1HD1 ILE 15 12.844 3.227 -6.799 127 2HD1 ILE 15 2HD1 ILE 15 11.149 3.611 -6.504 128 3HD1 ILE 15 3HD1 ILE 15 11.578 2.178 -7.436 129 H GLY 16 H GLY 16 14.448 1.174 -1.720 130 1HA GLY 16 2HA GLY 16 15.342 3.370 -0.355 131 2HA GLY 16 1HA GLY 16 14.161 2.615 0.716 132 H ASP 17 H ASP 17 16.605 2.624 1.739 133 HA ASP 17 HA ASP 17 17.997 0.201 0.912 134 1HB ASP 17 2HB ASP 17 19.269 2.259 1.479 135 2HB ASP 17 1HB ASP 17 18.672 2.147 3.130 136 H ASP 18 H ASP 18 15.895 1.342 3.420 137 HA ASP 18 HA ASP 18 15.676 -1.396 4.445 138 1HB ASP 18 2HB ASP 18 17.147 -0.010 5.966 139 2HB ASP 18 1HB ASP 18 15.760 1.033 6.253 140 H GLU 19 H GLU 19 13.597 -1.611 5.772 141 HA GLU 19 HA GLU 19 11.435 -0.468 4.288 142 1HB GLU 19 2HB GLU 19 11.415 -2.149 6.801 143 2HB GLU 19 1HB GLU 19 9.979 -1.681 5.904 144 1HG GLU 19 2HG GLU 19 10.941 -2.857 3.919 145 2HG GLU 19 1HG GLU 19 12.212 -3.465 4.979 146 H ASN 20 H ASN 20 13.070 0.268 7.274 147 HA ASN 20 HA ASN 20 11.028 1.848 8.463 148 1HB ASN 20 2HB ASN 20 14.027 1.991 8.831 149 2HB ASN 20 1HB ASN 20 12.848 2.803 9.854 150 1HD2 ASN 20 1HD2 ASN 20 14.846 0.885 10.587 151 2HD2 ASN 20 2HD2 ASN 20 14.017 -0.468 11.285 152 H ASN 21 H ASN 21 13.925 2.753 6.614 153 HA ASN 21 HA ASN 21 12.865 5.470 6.375 154 1HB ASN 21 2HB ASN 21 15.612 4.302 6.000 155 2HB ASN 21 1HB ASN 21 15.204 5.897 5.376 156 1HD2 ASN 21 1HD2 ASN 21 16.579 6.992 6.708 157 2HD2 ASN 21 2HD2 ASN 21 16.332 7.139 8.417 158 H ALA 22 H ALA 22 11.724 3.291 4.882 159 HA ALA 22 HA ALA 22 12.553 3.307 2.198 160 1HB ALA 22 1HB ALA 22 10.343 2.437 1.676 161 2HB ALA 22 2HB ALA 22 9.764 2.897 3.276 162 3HB ALA 22 3HB ALA 22 10.991 1.642 3.111 163 H LEU 23 H LEU 23 12.653 4.982 0.883 164 HA LEU 23 HA LEU 23 11.565 7.506 1.487 165 1HB LEU 23 2HB LEU 23 12.588 6.444 -1.151 166 2HB LEU 23 1HB LEU 23 12.274 8.132 -0.794 167 HG LEU 23 HG LEU 23 14.339 6.410 0.577 168 1HD1 LEU 23 1HD1 LEU 23 14.920 6.930 -1.735 169 2HD1 LEU 23 2HD1 LEU 23 15.961 7.792 -0.600 170 3HD1 LEU 23 3HD1 LEU 23 14.652 8.644 -1.420 171 1HD2 LEU 23 1HD2 LEU 23 13.441 8.106 2.073 172 2HD2 LEU 23 2HD2 LEU 23 13.721 9.351 0.854 173 3HD2 LEU 23 3HD2 LEU 23 15.087 8.515 1.592 174 H ALA 24 H ALA 24 10.481 4.857 -0.553 175 HA ALA 24 HA ALA 24 7.780 5.884 -0.321 176 1HB ALA 24 1HB ALA 24 8.992 5.444 -3.046 177 2HB ALA 24 2HB ALA 24 8.567 7.005 -2.344 178 3HB ALA 24 3HB ALA 24 7.304 5.830 -2.710 179 H GLU 25 H GLU 25 6.550 4.197 0.230 180 HA GLU 25 HA GLU 25 7.098 1.650 -1.133 181 1HB GLU 25 2HB GLU 25 6.673 0.360 0.791 182 2HB GLU 25 1HB GLU 25 7.756 1.633 1.317 183 1HG GLU 25 2HG GLU 25 4.784 1.804 1.683 184 2HG GLU 25 1HG GLU 25 5.839 1.014 2.850 185 H ILE 26 H ILE 26 5.405 0.607 -2.002 186 HA ILE 26 HA ILE 26 2.730 1.713 -1.462 187 HB ILE 26 HB ILE 26 3.382 2.320 -3.717 188 1HG1 ILE 26 2HG1 ILE 26 1.405 0.028 -3.756 189 2HG1 ILE 26 1HG1 ILE 26 1.031 1.693 -3.322 190 1HG2 ILE 26 1HG2 ILE 26 5.078 0.655 -4.145 191 2HG2 ILE 26 2HG2 ILE 26 3.867 0.612 -5.427 192 3HG2 ILE 26 3HG2 ILE 26 3.861 -0.621 -4.167 193 1HD1 ILE 26 1HD1 ILE 26 0.316 1.216 -5.577 194 2HD1 ILE 26 2HD1 ILE 26 1.950 0.718 -6.015 195 3HD1 ILE 26 3HD1 ILE 26 1.624 2.400 -5.593 196 H THR 27 H THR 27 1.211 0.317 -0.823 197 HA THR 27 HA THR 27 1.870 -2.550 -0.934 198 HB THR 27 HB THR 27 0.419 -2.776 1.109 199 HG1 THR 27 HG1 THR 27 -0.377 -1.019 2.073 200 1HG2 THR 27 1HG2 THR 27 2.854 -2.796 1.299 201 2HG2 THR 27 2HG2 THR 27 2.134 -1.978 2.686 202 3HG2 THR 27 3HG2 THR 27 2.875 -1.036 1.392 203 H TYR 28 H TYR 28 0.342 -3.925 -1.684 204 HA TYR 28 HA TYR 28 -2.321 -2.837 -2.234 205 1HB TYR 28 2HB TYR 28 -2.364 -3.705 -4.477 206 2HB TYR 28 1HB TYR 28 -0.941 -2.685 -4.316 207 HD1 TYR 28 HD1 TYR 28 1.316 -3.779 -4.077 208 HD2 TYR 28 HD2 TYR 28 -2.183 -5.979 -5.085 209 HE1 TYR 28 HE1 TYR 28 2.713 -5.617 -4.914 210 HE2 TYR 28 HE2 TYR 28 -0.792 -7.824 -5.920 211 HH TYR 28 HH TYR 28 1.442 -8.227 -6.726 212 H ARG 29 H ARG 29 -3.967 -4.257 -1.966 213 HA ARG 29 HA ARG 29 -3.238 -7.042 -1.347 214 1HB ARG 29 2HB ARG 29 -5.266 -5.327 0.100 215 2HB ARG 29 1HB ARG 29 -5.026 -7.045 0.372 216 1HG ARG 29 2HG ARG 29 -2.743 -6.599 1.136 217 2HG ARG 29 1HG ARG 29 -2.999 -4.871 0.868 218 1HD ARG 29 2HD ARG 29 -3.305 -5.426 3.218 219 2HD ARG 29 1HD ARG 29 -4.824 -4.891 2.499 220 HE ARG 29 HE ARG 29 -4.137 -7.692 3.150 221 1HH1 ARG 29 2HH1 ARG 29 -6.510 -5.189 2.484 222 2HH1 ARG 29 1HH1 ARG 29 -7.870 -6.205 2.871 223 1HH2 ARG 29 1HH2 ARG 29 -5.927 -9.001 3.703 224 2HH2 ARG 29 2HH2 ARG 29 -7.537 -8.370 3.560 225 H PHE 30 H PHE 30 -4.579 -8.587 -2.136 226 HA PHE 30 HA PHE 30 -6.449 -7.851 -4.187 227 1HB PHE 30 2HB PHE 30 -5.844 -10.563 -2.969 228 2HB PHE 30 1HB PHE 30 -6.800 -10.288 -4.419 229 HD1 PHE 30 HD1 PHE 30 -5.774 -9.938 -6.519 230 HD2 PHE 30 HD2 PHE 30 -3.401 -10.084 -2.990 231 HE1 PHE 30 HE1 PHE 30 -3.739 -10.090 -7.895 232 HE2 PHE 30 HE2 PHE 30 -1.365 -10.233 -4.357 233 HZ PHE 30 HZ PHE 30 -1.533 -10.240 -6.814 234 H VAL 31 H VAL 31 -8.427 -7.112 -3.662 235 HA VAL 31 HA VAL 31 -9.552 -7.753 -1.077 236 HB VAL 31 HB VAL 31 -11.478 -6.293 -1.839 237 1HG1 VAL 31 1HG1 VAL 31 -8.709 -5.102 -1.810 238 2HG1 VAL 31 2HG1 VAL 31 -9.706 -5.462 -0.401 239 3HG1 VAL 31 3HG1 VAL 31 -10.210 -4.217 -1.544 240 1HG2 VAL 31 1HG2 VAL 31 -9.606 -5.727 -4.138 241 2HG2 VAL 31 2HG2 VAL 31 -11.067 -4.818 -3.752 242 3HG2 VAL 31 3HG2 VAL 31 -11.186 -6.506 -4.247 243 H ASP 32 H ASP 32 -10.350 -8.392 -4.461 244 HA ASP 32 HA ASP 32 -12.354 -10.325 -3.507 245 1HB ASP 32 2HB ASP 32 -13.245 -8.343 -4.788 246 2HB ASP 32 1HB ASP 32 -12.361 -8.935 -6.189 247 H ASN 33 H ASN 33 -10.925 -9.877 -6.733 248 HA ASN 33 HA ASN 33 -9.369 -12.334 -6.328 249 1HB ASN 33 2HB ASN 33 -11.527 -12.887 -7.514 250 2HB ASN 33 1HB ASN 33 -11.001 -11.844 -8.830 251 1HD2 ASN 33 1HD2 ASN 33 -11.586 -14.668 -8.871 252 2HD2 ASN 33 2HD2 ASN 33 -10.142 -15.470 -9.386 253 H ASN 34 H ASN 34 -10.028 -10.347 -9.192 254 HA ASN 34 HA ASN 34 -7.146 -9.967 -9.481 255 1HB ASN 34 2HB ASN 34 -7.660 -9.210 -11.771 256 2HB ASN 34 1HB ASN 34 -8.310 -10.815 -11.451 257 1HD2 ASN 34 1HD2 ASN 34 -10.515 -11.126 -11.430 258 2HD2 ASN 34 2HD2 ASN 34 -11.639 -9.913 -11.949 259 H GLU 35 H GLU 35 -9.695 -8.415 -8.130 260 HA GLU 35 HA GLU 35 -8.950 -5.709 -8.760 261 1HB GLU 35 2HB GLU 35 -10.743 -6.781 -6.572 262 2HB GLU 35 1HB GLU 35 -10.586 -5.094 -7.024 263 1HG GLU 35 2HG GLU 35 -12.575 -5.787 -8.016 264 2HG GLU 35 1HG GLU 35 -11.401 -5.800 -9.329 265 H ILE 36 H ILE 36 -7.088 -4.937 -8.029 266 HA ILE 36 HA ILE 36 -6.190 -5.732 -5.344 267 HB ILE 36 HB ILE 36 -3.975 -4.827 -5.990 268 1HG1 ILE 36 2HG1 ILE 36 -5.176 -4.618 -8.761 269 2HG1 ILE 36 1HG1 ILE 36 -4.762 -3.249 -7.734 270 1HG2 ILE 36 1HG2 ILE 36 -4.423 -7.192 -6.177 271 2HG2 ILE 36 2HG2 ILE 36 -3.374 -6.671 -7.496 272 3HG2 ILE 36 3HG2 ILE 36 -5.086 -6.967 -7.796 273 1HD1 ILE 36 1HD1 ILE 36 -2.408 -3.939 -7.793 274 2HD1 ILE 36 2HD1 ILE 36 -3.051 -3.607 -9.401 275 3HD1 ILE 36 3HD1 ILE 36 -2.842 -5.273 -8.862 276 H ASN 37 H ASN 37 -6.097 -4.266 -3.747 277 HA ASN 37 HA ASN 37 -6.779 -1.504 -4.490 278 1HB ASN 37 2HB ASN 37 -8.053 -1.266 -2.596 279 2HB ASN 37 1HB ASN 37 -8.265 -2.989 -2.863 280 1HD2 ASN 37 1HD2 ASN 37 -7.092 -4.462 -1.535 281 2HD2 ASN 37 2HD2 ASN 37 -6.504 -3.971 0.020 282 H ILE 38 H ILE 38 -5.379 0.054 -4.099 283 HA ILE 38 HA ILE 38 -2.859 -0.526 -2.843 284 HB ILE 38 HB ILE 38 -4.009 2.093 -3.830 285 1HG1 ILE 38 2HG1 ILE 38 -1.863 0.322 -5.017 286 2HG1 ILE 38 1HG1 ILE 38 -3.541 0.341 -5.555 287 1HG2 ILE 38 1HG2 ILE 38 -1.735 2.970 -3.613 288 2HG2 ILE 38 2HG2 ILE 38 -1.210 1.441 -2.909 289 3HG2 ILE 38 3HG2 ILE 38 -2.373 2.452 -2.052 290 1HD1 ILE 38 1HD1 ILE 38 -1.594 2.631 -5.689 291 2HD1 ILE 38 2HD1 ILE 38 -3.289 2.711 -6.163 292 3HD1 ILE 38 3HD1 ILE 38 -2.178 1.658 -7.038 293 H ASP 39 H ASP 39 -2.885 -0.825 -0.752 294 HA ASP 39 HA ASP 39 -4.781 0.375 1.017 295 1HB ASP 39 2HB ASP 39 -3.996 -1.849 1.490 296 2HB ASP 39 1HB ASP 39 -2.319 -1.314 1.480 297 H HIS 40 H HIS 40 -1.343 0.804 0.353 298 HA HIS 40 HA HIS 40 -1.443 3.446 1.548 299 1HB HIS 40 2HB HIS 40 -0.863 2.234 3.500 300 2HB HIS 40 1HB HIS 40 0.237 1.184 2.619 301 HD1 HIS 40 HD1 HIS 40 -0.009 4.712 3.956 302 HD2 HIS 40 HD2 HIS 40 2.833 2.051 2.491 303 HE1 HIS 40 HE1 HIS 40 2.222 5.793 4.385 304 HE2 HIS 40 HE2 HIS 40 3.905 4.269 3.276 305 H THR 41 H THR 41 -0.186 4.850 0.488 306 HA THR 41 HA THR 41 2.212 3.845 -0.863 307 HB THR 41 HB THR 41 0.363 5.932 -2.045 308 HG1 THR 41 HG1 THR 41 0.553 3.177 -2.303 309 1HG2 THR 41 1HG2 THR 41 2.752 6.259 -2.573 310 2HG2 THR 41 2HG2 THR 41 1.820 5.794 -3.996 311 3HG2 THR 41 3HG2 THR 41 2.832 4.605 -3.176 312 H GLY 42 H GLY 42 3.675 4.615 0.539 313 1HA GLY 42 2HA GLY 42 3.339 7.364 1.528 314 2HA GLY 42 1HA GLY 42 4.340 6.122 2.273 315 H VAL 43 H VAL 43 4.052 8.343 -0.401 316 HA VAL 43 HA VAL 43 6.885 7.985 -1.041 317 HB VAL 43 HB VAL 43 4.823 9.696 -2.445 318 1HG1 VAL 43 1HG1 VAL 43 7.619 8.900 -3.243 319 2HG1 VAL 43 2HG1 VAL 43 7.073 10.515 -2.788 320 3HG1 VAL 43 3HG1 VAL 43 6.474 9.765 -4.268 321 1HG2 VAL 43 1HG2 VAL 43 5.882 6.963 -3.158 322 2HG2 VAL 43 2HG2 VAL 43 4.851 7.956 -4.188 323 3HG2 VAL 43 3HG2 VAL 43 4.240 7.353 -2.648 324 H SER 44 H SER 44 8.117 9.080 0.374 325 HA SER 44 HA SER 44 7.291 11.648 1.393 326 1HB SER 44 2HB SER 44 10.005 10.374 1.656 327 2HB SER 44 1HB SER 44 9.292 11.599 2.695 328 HG SER 44 HG SER 44 9.238 9.333 3.471 329 H ASP 45 H ASP 45 7.650 13.497 0.454 330 HA ASP 45 HA ASP 45 9.594 13.618 -1.736 331 1HB ASP 45 2HB ASP 45 8.166 15.353 -2.756 332 2HB ASP 45 1HB ASP 45 7.313 13.827 -2.570 333 H GLU 46 H GLU 46 11.330 14.482 -0.918 334 HA GLU 46 HA GLU 46 11.241 16.624 1.031 335 1HB GLU 46 2HB GLU 46 12.927 14.693 0.987 336 2HB GLU 46 1HB GLU 46 13.686 15.524 -0.362 337 1HG GLU 46 2HG GLU 46 14.856 16.034 1.676 338 2HG GLU 46 1HG GLU 46 14.054 17.485 1.075 339 H LEU 47 H LEU 47 10.371 16.796 -1.896 340 HA LEU 47 HA LEU 47 10.227 18.387 -3.495 341 1HB LEU 47 2HB LEU 47 12.076 20.011 -1.742 342 2HB LEU 47 1HB LEU 47 11.190 20.613 -3.130 343 HG LEU 47 HG LEU 47 9.932 19.547 -0.599 344 1HD1 LEU 47 1HD1 LEU 47 11.070 21.647 -0.197 345 2HD1 LEU 47 2HD1 LEU 47 9.322 21.884 -0.182 346 3HD1 LEU 47 3HD1 LEU 47 10.268 22.373 -1.589 347 1HD2 LEU 47 1HD2 LEU 47 7.854 20.443 -1.519 348 2HD2 LEU 47 2HD2 LEU 47 8.534 19.198 -2.567 349 3HD2 LEU 47 3HD2 LEU 47 8.701 20.898 -3.000 350 H GLY 48 H GLY 48 12.777 16.584 -2.823 351 1HA GLY 48 2HA GLY 48 14.015 17.067 -5.382 352 2HA GLY 48 1HA GLY 48 15.046 17.422 -4.003 353 H GLY 49 H GLY 49 15.538 15.425 -5.968 354 1HA GLY 49 2HA GLY 49 16.293 13.256 -6.060 355 2HA GLY 49 1HA GLY 49 16.183 13.227 -4.308 356 H GLN 50 H GLN 50 13.407 13.909 -6.292 357 HA GLN 50 HA GLN 50 12.228 11.414 -5.296 358 1HB GLN 50 2HB GLN 50 10.031 12.623 -5.560 359 2HB GLN 50 1HB GLN 50 11.096 13.239 -4.305 360 1HG GLN 50 2HG GLN 50 11.823 15.022 -5.860 361 2HG GLN 50 1HG GLN 50 10.638 14.437 -7.029 362 1HE2 GLN 50 1HE2 GLN 50 8.460 14.788 -6.659 363 2HE2 GLN 50 2HE2 GLN 50 7.883 15.872 -5.430 364 H GLY 51 H GLY 51 9.979 11.234 -6.755 365 1HA GLY 51 2HA GLY 51 9.323 10.879 -9.069 366 2HA GLY 51 1HA GLY 51 11.031 10.731 -9.470 367 H VAL 52 H VAL 52 10.401 9.373 -6.533 368 HA VAL 52 HA VAL 52 11.001 6.734 -7.447 369 HB VAL 52 HB VAL 52 10.216 7.713 -4.693 370 1HG1 VAL 52 1HG1 VAL 52 9.914 5.308 -4.938 371 2HG1 VAL 52 2HG1 VAL 52 11.256 5.680 -3.855 372 3HG1 VAL 52 3HG1 VAL 52 11.576 5.152 -5.507 373 1HG2 VAL 52 1HG2 VAL 52 12.217 8.831 -5.543 374 2HG2 VAL 52 2HG2 VAL 52 12.956 7.263 -5.871 375 3HG2 VAL 52 3HG2 VAL 52 12.605 7.742 -4.210 376 H GLY 53 H GLY 53 8.140 8.438 -6.343 377 1HA GLY 53 2HA GLY 53 6.485 6.241 -5.807 378 2HA GLY 53 1HA GLY 53 5.930 7.850 -6.237 379 H LYS 54 H LYS 54 6.875 8.108 -8.809 380 HA LYS 54 HA LYS 54 4.896 6.709 -10.245 381 1HB LYS 54 2HB LYS 54 5.847 8.900 -10.938 382 2HB LYS 54 1HB LYS 54 7.337 8.080 -11.390 383 1HG LYS 54 2HG LYS 54 6.160 6.799 -13.072 384 2HG LYS 54 1HG LYS 54 4.629 7.519 -12.581 385 1HD LYS 54 2HD LYS 54 5.551 9.746 -13.204 386 2HD LYS 54 1HD LYS 54 6.983 8.925 -13.834 387 1HE LYS 54 2HE LYS 54 5.580 7.669 -15.390 388 2HE LYS 54 1HE LYS 54 4.146 8.474 -14.756 389 1HZ LYS 54 1HZ LYS 54 6.402 9.754 -16.201 390 2HZ LYS 54 2HZ LYS 54 5.101 10.595 -15.511 391 3HZ LYS 54 3HZ LYS 54 4.829 9.514 -16.787 392 H LYS 55 H LYS 55 8.296 6.032 -9.696 393 HA LYS 55 HA LYS 55 8.604 4.045 -11.683 394 1HB LYS 55 2HB LYS 55 10.505 5.153 -10.533 395 2HB LYS 55 1HB LYS 55 10.073 4.313 -9.048 396 1HG LYS 55 2HG LYS 55 10.537 2.172 -10.103 397 2HG LYS 55 1HG LYS 55 10.918 2.989 -11.621 398 1HD LYS 55 2HD LYS 55 12.393 3.379 -9.014 399 2HD LYS 55 1HD LYS 55 12.934 2.349 -10.339 400 1HE LYS 55 2HE LYS 55 12.461 5.322 -10.541 401 2HE LYS 55 1HE LYS 55 14.035 4.563 -10.315 402 1HZ LYS 55 1HZ LYS 55 13.643 5.112 -12.628 403 2HZ LYS 55 2HZ LYS 55 12.236 4.169 -12.650 404 3HZ LYS 55 3HZ LYS 55 13.750 3.430 -12.435 405 H LEU 56 H LEU 56 7.492 3.959 -8.342 406 HA LEU 56 HA LEU 56 7.324 1.144 -8.100 407 1HB LEU 56 2HB LEU 56 5.807 3.334 -6.689 408 2HB LEU 56 1HB LEU 56 5.727 1.640 -6.242 409 HG LEU 56 HG LEU 56 8.229 3.327 -6.188 410 1HD1 LEU 56 1HD1 LEU 56 6.437 2.381 -3.957 411 2HD1 LEU 56 2HD1 LEU 56 6.647 4.047 -4.499 412 3HD1 LEU 56 3HD1 LEU 56 7.993 3.188 -3.752 413 1HD2 LEU 56 1HD2 LEU 56 7.707 0.536 -5.167 414 2HD2 LEU 56 2HD2 LEU 56 9.213 1.442 -5.008 415 3HD2 LEU 56 3HD2 LEU 56 8.647 0.942 -6.602 416 H LEU 57 H LEU 57 4.881 3.600 -8.876 417 HA LEU 57 HA LEU 57 2.757 1.815 -9.318 418 1HB LEU 57 2HB LEU 57 3.325 4.627 -10.165 419 2HB LEU 57 1HB LEU 57 1.961 3.782 -10.871 420 HG LEU 57 HG LEU 57 1.019 3.444 -8.607 421 1HD1 LEU 57 1HD1 LEU 57 3.085 3.462 -7.321 422 2HD1 LEU 57 2HD1 LEU 57 1.957 4.673 -6.712 423 3HD1 LEU 57 3HD1 LEU 57 3.326 5.166 -7.708 424 1HD2 LEU 57 1HD2 LEU 57 0.340 5.754 -8.240 425 2HD2 LEU 57 2HD2 LEU 57 0.346 5.363 -9.960 426 3HD2 LEU 57 3HD2 LEU 57 1.659 6.315 -9.268 427 H LYS 58 H LYS 58 5.285 3.020 -11.444 428 HA LYS 58 HA LYS 58 4.427 2.039 -13.886 429 1HB LYS 58 2HB LYS 58 6.369 3.447 -13.709 430 2HB LYS 58 1HB LYS 58 7.202 2.267 -12.714 431 1HG LYS 58 2HG LYS 58 6.390 1.482 -15.466 432 2HG LYS 58 1HG LYS 58 7.765 2.565 -15.262 433 1HD LYS 58 2HD LYS 58 8.734 0.887 -13.666 434 2HD LYS 58 1HD LYS 58 7.432 -0.211 -14.127 435 1HE LYS 58 2HE LYS 58 9.438 0.999 -16.022 436 2HE LYS 58 1HE LYS 58 9.539 -0.623 -15.344 437 1HZ LYS 58 1HZ LYS 58 8.531 -0.305 -17.670 438 2HZ LYS 58 2HZ LYS 58 7.135 0.205 -16.847 439 3HZ LYS 58 3HZ LYS 58 7.753 -1.352 -16.590 440 H ALA 59 H ALA 59 6.276 0.366 -11.350 441 HA ALA 59 HA ALA 59 6.491 -2.080 -12.771 442 1HB ALA 59 1HB ALA 59 8.025 -1.465 -10.965 443 2HB ALA 59 2HB ALA 59 7.261 -3.026 -10.670 444 3HB ALA 59 3HB ALA 59 6.704 -1.595 -9.802 445 H VAL 60 H VAL 60 4.217 -0.866 -10.368 446 HA VAL 60 HA VAL 60 2.808 -3.271 -9.944 447 HB VAL 60 HB VAL 60 1.824 -0.422 -9.690 448 1HG1 VAL 60 1HG1 VAL 60 0.091 -1.356 -8.218 449 2HG1 VAL 60 2HG1 VAL 60 0.648 -2.982 -8.609 450 3HG1 VAL 60 3HG1 VAL 60 -0.052 -1.963 -9.868 451 1HG2 VAL 60 1HG2 VAL 60 2.261 -0.749 -7.293 452 2HG2 VAL 60 2HG2 VAL 60 3.731 -0.874 -8.258 453 3HG2 VAL 60 3HG2 VAL 60 2.951 -2.333 -7.645 454 H VAL 61 H VAL 61 2.008 -0.486 -12.048 455 HA VAL 61 HA VAL 61 -0.292 -1.642 -13.189 456 HB VAL 61 HB VAL 61 1.557 0.440 -14.368 457 1HG1 VAL 61 1HG1 VAL 61 -0.337 1.084 -15.772 458 2HG1 VAL 61 2HG1 VAL 61 -1.285 -0.251 -15.118 459 3HG1 VAL 61 3HG1 VAL 61 0.151 -0.581 -16.089 460 1HG2 VAL 61 1HG2 VAL 61 -0.107 2.042 -13.518 461 2HG2 VAL 61 2HG2 VAL 61 0.645 1.114 -12.221 462 3HG2 VAL 61 3HG2 VAL 61 -0.984 0.710 -12.763 463 H GLU 62 H GLU 62 3.098 -1.769 -14.116 464 HA GLU 62 HA GLU 62 2.932 -3.025 -16.591 465 1HB GLU 62 2HB GLU 62 4.992 -2.140 -15.552 466 2HB GLU 62 1HB GLU 62 4.963 -3.456 -14.390 467 1HG GLU 62 2HG GLU 62 5.351 -5.064 -16.146 468 2HG GLU 62 1HG GLU 62 5.260 -3.791 -17.367 469 H HIS 63 H HIS 63 3.199 -4.508 -13.376 470 HA HIS 63 HA HIS 63 2.894 -7.185 -14.264 471 1HB HIS 63 2HB HIS 63 3.964 -6.575 -12.135 472 2HB HIS 63 1HB HIS 63 2.431 -5.957 -11.534 473 HD1 HIS 63 HD1 HIS 63 4.192 -9.182 -12.366 474 HD2 HIS 63 HD2 HIS 63 0.721 -7.864 -10.487 475 HE1 HIS 63 HE1 HIS 63 3.253 -11.190 -11.185 476 HE2 HIS 63 HE2 HIS 63 1.262 -10.323 -9.904 477 H ALA 64 H ALA 64 0.669 -4.663 -13.346 478 HA ALA 64 HA ALA 64 -1.628 -6.299 -12.992 479 1HB ALA 64 1HB ALA 64 -2.885 -4.215 -13.074 480 2HB ALA 64 2HB ALA 64 -1.458 -3.363 -13.669 481 3HB ALA 64 3HB ALA 64 -1.466 -4.052 -12.044 482 H ARG 65 H ARG 65 -0.176 -4.712 -15.779 483 HA ARG 65 HA ARG 65 -2.341 -5.100 -17.569 484 1HB ARG 65 2HB ARG 65 0.620 -4.895 -18.151 485 2HB ARG 65 1HB ARG 65 -0.654 -4.791 -19.356 486 1HG ARG 65 2HG ARG 65 -0.149 -2.867 -17.099 487 2HG ARG 65 1HG ARG 65 0.142 -2.590 -18.816 488 1HD ARG 65 2HD ARG 65 -2.527 -3.034 -17.490 489 2HD ARG 65 1HD ARG 65 -1.913 -1.509 -18.123 490 HE ARG 65 HE ARG 65 -2.034 -3.598 -20.096 491 1HH1 ARG 65 2HH1 ARG 65 -3.793 -1.045 -18.505 492 2HH1 ARG 65 1HH1 ARG 65 -4.988 -0.880 -19.754 493 1HH2 ARG 65 1HH2 ARG 65 -3.587 -3.415 -21.765 494 2HH2 ARG 65 2HH2 ARG 65 -4.870 -2.252 -21.619 495 H GLU 66 H GLU 66 0.506 -7.020 -16.768 496 HA GLU 66 HA GLU 66 0.335 -9.019 -18.674 497 1HB GLU 66 2HB GLU 66 1.170 -9.274 -15.788 498 2HB GLU 66 1HB GLU 66 1.510 -10.452 -17.044 499 1HG GLU 66 2HG GLU 66 2.886 -8.837 -18.216 500 2HG GLU 66 1HG GLU 66 2.505 -7.613 -17.000 501 H ASN 67 H ASN 67 -0.958 -9.181 -15.360 502 HA ASN 67 HA ASN 67 -2.284 -11.685 -16.029 503 1HB ASN 67 2HB ASN 67 -1.952 -10.213 -13.409 504 2HB ASN 67 1HB ASN 67 -2.795 -11.749 -13.578 505 1HD2 ASN 67 1HD2 ASN 67 0.280 -10.138 -13.675 506 2HD2 ASN 67 2HD2 ASN 67 1.264 -11.559 -13.608 507 H ASN 68 H ASN 68 -3.061 -8.467 -16.134 508 HA ASN 68 HA ASN 68 -4.964 -7.277 -16.322 509 1HB ASN 68 2HB ASN 68 -5.875 -8.935 -17.810 510 2HB ASN 68 1HB ASN 68 -6.260 -10.004 -16.468 511 1HD2 ASN 68 1HD2 ASN 68 -8.127 -9.730 -15.366 512 2HD2 ASN 68 2HD2 ASN 68 -9.339 -8.566 -15.774 513 H LEU 69 H LEU 69 -4.487 -6.480 -14.314 514 HA LEU 69 HA LEU 69 -6.258 -7.427 -12.158 515 1HB LEU 69 2HB LEU 69 -3.719 -5.800 -11.944 516 2HB LEU 69 1HB LEU 69 -4.722 -6.309 -10.600 517 HG LEU 69 HG LEU 69 -3.220 -8.175 -12.442 518 1HD1 LEU 69 1HD1 LEU 69 -1.693 -6.896 -11.057 519 2HD1 LEU 69 2HD1 LEU 69 -1.773 -8.568 -10.498 520 3HD1 LEU 69 3HD1 LEU 69 -2.629 -7.301 -9.618 521 1HD2 LEU 69 1HD2 LEU 69 -5.252 -9.174 -11.528 522 2HD2 LEU 69 2HD2 LEU 69 -4.751 -8.716 -9.900 523 3HD2 LEU 69 3HD2 LEU 69 -3.809 -9.895 -10.812 524 H LYS 70 H LYS 70 -7.462 -5.897 -11.022 525 HA LYS 70 HA LYS 70 -7.822 -3.352 -12.453 526 1HB LYS 70 2HB LYS 70 -9.692 -4.819 -10.579 527 2HB LYS 70 1HB LYS 70 -10.044 -3.297 -11.380 528 1HG LYS 70 2HG LYS 70 -9.897 -4.387 -13.553 529 2HG LYS 70 1HG LYS 70 -9.545 -5.924 -12.753 530 1HD LYS 70 2HD LYS 70 -11.707 -5.848 -11.633 531 2HD LYS 70 1HD LYS 70 -12.052 -4.285 -12.379 532 1HE LYS 70 2HE LYS 70 -11.957 -5.318 -14.588 533 2HE LYS 70 1HE LYS 70 -11.597 -6.878 -13.848 534 1HZ LYS 70 1HZ LYS 70 -13.741 -6.806 -12.740 535 2HZ LYS 70 2HZ LYS 70 -13.930 -6.692 -14.419 536 3HZ LYS 70 3HZ LYS 70 -14.087 -5.305 -13.452 537 H ILE 71 H ILE 71 -7.245 -1.508 -11.467 538 HA ILE 71 HA ILE 71 -6.162 -1.798 -8.758 539 HB ILE 71 HB ILE 71 -5.595 0.314 -10.842 540 1HG1 ILE 71 2HG1 ILE 71 -3.921 -1.998 -9.834 541 2HG1 ILE 71 1HG1 ILE 71 -4.698 -1.904 -11.411 542 1HG2 ILE 71 1HG2 ILE 71 -5.375 1.224 -8.602 543 2HG2 ILE 71 2HG2 ILE 71 -3.783 1.017 -9.332 544 3HG2 ILE 71 3HG2 ILE 71 -4.355 -0.135 -8.125 545 1HD1 ILE 71 1HD1 ILE 71 -2.360 -1.407 -11.623 546 2HD1 ILE 71 2HD1 ILE 71 -2.477 -0.149 -10.393 547 3HD1 ILE 71 3HD1 ILE 71 -3.297 0.052 -11.942 548 H ILE 72 H ILE 72 -7.382 -1.114 -7.167 549 HA ILE 72 HA ILE 72 -8.746 1.489 -7.472 550 HB ILE 72 HB ILE 72 -10.117 0.782 -5.463 551 1HG1 ILE 72 2HG1 ILE 72 -9.072 -1.958 -6.211 552 2HG1 ILE 72 1HG1 ILE 72 -8.678 -1.082 -4.736 553 1HG2 ILE 72 1HG2 ILE 72 -11.012 0.826 -7.745 554 2HG2 ILE 72 2HG2 ILE 72 -11.727 -0.468 -6.784 555 3HG2 ILE 72 3HG2 ILE 72 -10.484 -0.840 -7.978 556 1HD1 ILE 72 1HD1 ILE 72 -11.406 -2.074 -5.532 557 2HD1 ILE 72 2HD1 ILE 72 -11.023 -1.184 -4.058 558 3HD1 ILE 72 3HD1 ILE 72 -10.343 -2.790 -4.320 559 H ALA 73 H ALA 73 -8.513 2.968 -5.695 560 HA ALA 73 HA ALA 73 -6.096 2.387 -4.115 561 1HB ALA 73 1HB ALA 73 -5.584 4.772 -4.197 562 2HB ALA 73 2HB ALA 73 -7.025 5.050 -5.176 563 3HB ALA 73 3HB ALA 73 -5.699 4.078 -5.814 564 H SER 74 H SER 74 -6.507 2.106 -2.055 565 HA SER 74 HA SER 74 -8.771 3.402 -0.777 566 1HB SER 74 2HB SER 74 -6.673 1.586 0.445 567 2HB SER 74 1HB SER 74 -8.230 2.027 1.148 568 HG SER 74 HG SER 74 -7.724 -0.036 -0.370 569 H CYS 75 H CYS 75 -5.344 3.667 -1.088 570 HA CYS 75 HA CYS 75 -5.026 5.612 1.015 571 1HB CYS 75 2HB CYS 75 -3.185 4.098 0.377 572 2HB CYS 75 1HB CYS 75 -3.160 4.807 -1.234 573 HG CYS 75 HG CYS 75 -2.060 6.117 1.700 574 H SER 76 H SER 76 -5.405 7.726 0.834 575 HA SER 76 HA SER 76 -6.634 8.827 -1.433 576 1HB SER 76 2HB SER 76 -5.310 10.327 0.837 577 2HB SER 76 1HB SER 76 -6.588 10.922 -0.225 578 HG SER 76 HG SER 76 -7.195 10.047 1.941 579 H PHE 77 H PHE 77 -3.331 9.179 -0.180 580 HA PHE 77 HA PHE 77 -2.421 11.040 -2.066 581 1HB PHE 77 2HB PHE 77 -1.226 10.418 0.022 582 2HB PHE 77 1HB PHE 77 -0.819 8.865 -0.699 583 HD1 PHE 77 HD1 PHE 77 1.149 8.627 -1.893 584 HD2 PHE 77 HD2 PHE 77 -0.425 12.525 -1.227 585 HE1 PHE 77 HE1 PHE 77 3.186 9.612 -2.856 586 HE2 PHE 77 HE2 PHE 77 1.611 13.516 -2.187 587 HZ PHE 77 HZ PHE 77 3.422 12.061 -3.002 588 H ALA 78 H ALA 78 -2.497 7.517 -2.146 589 HA ALA 78 HA ALA 78 -1.074 7.146 -4.540 590 1HB ALA 78 1HB ALA 78 -1.523 5.336 -2.961 591 2HB ALA 78 2HB ALA 78 -2.084 4.927 -4.584 592 3HB ALA 78 3HB ALA 78 -3.241 5.425 -3.350 593 H LYS 79 H LYS 79 -4.557 7.424 -3.910 594 HA LYS 79 HA LYS 79 -5.381 7.117 -6.587 595 1HB LYS 79 2HB LYS 79 -6.903 6.907 -4.653 596 2HB LYS 79 1HB LYS 79 -6.754 8.635 -4.362 597 1HG LYS 79 2HG LYS 79 -7.803 9.117 -6.490 598 2HG LYS 79 1HG LYS 79 -7.889 7.395 -6.863 599 1HD LYS 79 2HD LYS 79 -10.039 8.191 -6.068 600 2HD LYS 79 1HD LYS 79 -9.340 7.064 -4.903 601 1HE LYS 79 2HE LYS 79 -8.526 9.003 -3.593 602 2HE LYS 79 1HE LYS 79 -9.348 10.074 -4.731 603 1HZ LYS 79 1HZ LYS 79 -10.692 9.691 -2.766 604 2HZ LYS 79 2HZ LYS 79 -10.658 8.015 -3.035 605 3HZ LYS 79 3HZ LYS 79 -11.449 9.038 -4.135 606 H HIS 80 H HIS 80 -4.404 9.903 -4.699 607 HA HIS 80 HA HIS 80 -5.146 11.887 -6.572 608 1HB HIS 80 2HB HIS 80 -4.519 12.138 -4.082 609 2HB HIS 80 1HB HIS 80 -2.849 12.160 -4.640 610 HD1 HIS 80 HD1 HIS 80 -6.012 14.158 -4.661 611 HD2 HIS 80 HD2 HIS 80 -2.069 14.532 -5.955 612 HE1 HIS 80 HE1 HIS 80 -5.713 16.587 -5.249 613 HE2 HIS 80 HE2 HIS 80 -3.308 16.811 -5.961 614 H MET 81 H MET 81 -2.319 9.853 -6.203 615 HA MET 81 HA MET 81 -0.757 11.176 -8.198 616 1HB MET 81 2HB MET 81 -0.568 8.399 -7.022 617 2HB MET 81 1HB MET 81 0.576 9.039 -8.191 618 1HG MET 81 2HG MET 81 1.151 10.835 -6.623 619 2HG MET 81 1HG MET 81 0.036 10.144 -5.445 620 1HE MET 81 1HE MET 81 3.816 7.960 -6.954 621 2HE MET 81 2HE MET 81 3.337 9.565 -7.500 622 3HE MET 81 3HE MET 81 2.361 8.159 -7.933 623 H LEU 82 H LEU 82 -3.031 8.486 -8.173 624 HA LEU 82 HA LEU 82 -2.668 7.681 -10.861 625 1HB LEU 82 2HB LEU 82 -5.105 7.474 -9.083 626 2HB LEU 82 1HB LEU 82 -4.922 6.658 -10.623 627 HG LEU 82 HG LEU 82 -3.206 6.191 -8.181 628 1HD1 LEU 82 1HD1 LEU 82 -4.331 4.020 -8.098 629 2HD1 LEU 82 2HD1 LEU 82 -5.365 4.506 -9.442 630 3HD1 LEU 82 3HD1 LEU 82 -5.470 5.350 -7.896 631 1HD2 LEU 82 1HD2 LEU 82 -2.312 4.299 -9.463 632 2HD2 LEU 82 2HD2 LEU 82 -1.964 5.841 -10.244 633 3HD2 LEU 82 3HD2 LEU 82 -3.252 4.810 -10.863 634 H GLU 83 H GLU 83 -4.789 10.062 -9.326 635 HA GLU 83 HA GLU 83 -6.186 10.836 -11.655 636 1HB GLU 83 2HB GLU 83 -5.514 12.416 -9.164 637 2HB GLU 83 1HB GLU 83 -6.624 12.959 -10.413 638 1HG GLU 83 2HG GLU 83 -7.998 10.926 -9.970 639 2HG GLU 83 1HG GLU 83 -6.940 10.581 -8.601 640 H LYS 84 H LYS 84 -3.090 11.733 -10.307 641 HA LYS 84 HA LYS 84 -2.612 13.971 -11.992 642 1HB LYS 84 2HB LYS 84 -1.460 13.634 -9.838 643 2HB LYS 84 1HB LYS 84 -0.651 12.219 -10.494 644 1HG LYS 84 2HG LYS 84 0.821 14.156 -10.471 645 2HG LYS 84 1HG LYS 84 0.499 13.615 -12.120 646 1HD LYS 84 2HD LYS 84 -1.115 15.385 -12.429 647 2HD LYS 84 1HD LYS 84 -0.936 15.880 -10.743 648 1HE LYS 84 2HE LYS 84 1.357 16.527 -11.131 649 2HE LYS 84 1HE LYS 84 1.285 15.909 -12.783 650 1HZ LYS 84 1HZ LYS 84 -0.305 18.169 -11.694 651 2HZ LYS 84 2HZ LYS 84 -0.408 17.567 -13.278 652 3HZ LYS 84 3HZ LYS 84 1.023 18.300 -12.741 653 H GLU 85 H GLU 85 -1.470 10.595 -12.068 654 HA GLU 85 HA GLU 85 -0.598 11.011 -14.835 655 1HB GLU 85 2HB GLU 85 1.031 9.974 -13.320 656 2HB GLU 85 1HB GLU 85 -0.107 8.681 -12.969 657 1HG GLU 85 2HG GLU 85 1.637 8.027 -14.576 658 2HG GLU 85 1HG GLU 85 0.006 7.886 -15.229 659 H ASP 86 H ASP 86 -2.473 10.975 -15.974 660 HA ASP 86 HA ASP 86 -4.610 9.186 -15.376 661 1HB ASP 86 2HB ASP 86 -5.687 10.120 -17.381 662 2HB ASP 86 1HB ASP 86 -5.072 11.376 -16.313 663 H SER 87 H SER 87 -1.743 8.719 -17.048 664 HA SER 87 HA SER 87 -2.562 6.931 -19.067 665 1HB SER 87 2HB SER 87 0.026 6.830 -17.500 666 2HB SER 87 1HB SER 87 -0.265 6.191 -19.118 667 HG SER 87 HG SER 87 -0.032 8.872 -18.262 668 H TYR 88 H TYR 88 -2.179 6.583 -15.621 669 HA TYR 88 HA TYR 88 -2.285 3.689 -15.698 670 1HB TYR 88 2HB TYR 88 -2.388 5.580 -13.340 671 2HB TYR 88 1HB TYR 88 -2.230 3.832 -13.242 672 HD1 TYR 88 HD1 TYR 88 -0.249 3.487 -15.528 673 HD2 TYR 88 HD2 TYR 88 -0.404 6.210 -12.265 674 HE1 TYR 88 HE1 TYR 88 2.200 3.700 -15.598 675 HE2 TYR 88 HE2 TYR 88 2.040 6.436 -12.324 676 HH TYR 88 HH TYR 88 3.931 5.235 -14.922 677 H GLN 89 H GLN 89 -4.536 6.201 -15.790 678 HA GLN 89 HA GLN 89 -6.534 4.980 -14.135 679 1HB GLN 89 2HB GLN 89 -6.435 7.417 -15.857 680 2HB GLN 89 1HB GLN 89 -8.001 6.794 -15.350 681 1HG GLN 89 2HG GLN 89 -7.243 6.912 -13.001 682 2HG GLN 89 1HG GLN 89 -5.738 7.637 -13.556 683 1HE2 GLN 89 1HE2 GLN 89 -5.700 9.768 -14.115 684 2HE2 GLN 89 2HE2 GLN 89 -7.044 10.833 -13.923 685 H ASP 90 H ASP 90 -5.402 4.004 -17.005 686 HA ASP 90 HA ASP 90 -7.825 3.297 -18.337 687 1HB ASP 90 2HB ASP 90 -5.683 3.329 -19.540 688 2HB ASP 90 1HB ASP 90 -5.081 2.024 -18.520 689 H VAL 91 H VAL 91 -5.739 1.737 -15.971 690 HA VAL 91 HA VAL 91 -7.614 -0.505 -15.763 691 HB VAL 91 HB VAL 91 -5.903 -1.516 -14.240 692 1HG1 VAL 91 1HG1 VAL 91 -5.996 -2.094 -16.610 693 2HG1 VAL 91 2HG1 VAL 91 -4.336 -2.111 -16.013 694 3HG1 VAL 91 3HG1 VAL 91 -4.912 -0.755 -16.984 695 1HG2 VAL 91 1HG2 VAL 91 -4.235 0.842 -15.118 696 2HG2 VAL 91 2HG2 VAL 91 -3.644 -0.557 -14.221 697 3HG2 VAL 91 3HG2 VAL 91 -4.819 0.531 -13.484 698 H TYR 92 H TYR 92 -7.335 2.474 -14.539 699 HA TYR 92 HA TYR 92 -8.075 1.840 -11.803 700 1HB TYR 92 2HB TYR 92 -6.642 3.766 -12.110 701 2HB TYR 92 1HB TYR 92 -7.756 4.465 -13.277 702 HD1 TYR 92 HD1 TYR 92 -8.833 6.321 -12.485 703 HD2 TYR 92 HD2 TYR 92 -8.056 3.124 -9.788 704 HE1 TYR 92 HE1 TYR 92 -9.946 7.576 -10.688 705 HE2 TYR 92 HE2 TYR 92 -9.170 4.369 -7.983 706 HH TYR 92 HH TYR 92 -11.048 7.172 -8.575 707 H LEU 93 H LEU 93 -10.072 1.292 -11.369 708 HA LEU 93 HA LEU 93 -12.190 1.473 -13.235 709 1HB LEU 93 2HB LEU 93 -12.447 0.989 -10.264 710 2HB LEU 93 1HB LEU 93 -13.608 0.567 -11.502 711 HG LEU 93 HG LEU 93 -11.798 -1.001 -12.424 712 1HD1 LEU 93 1HD1 LEU 93 -9.837 -0.381 -11.357 713 2HD1 LEU 93 2HD1 LEU 93 -10.336 -1.815 -10.460 714 3HD1 LEU 93 3HD1 LEU 93 -10.627 -0.215 -9.792 715 1HD2 LEU 93 1HD2 LEU 93 -13.806 -1.792 -11.317 716 2HD2 LEU 93 2HD2 LEU 93 -13.054 -1.543 -9.741 717 3HD2 LEU 93 3HD2 LEU 93 -12.415 -2.766 -10.840 718 H GLY 94 H GLY 94 -11.278 3.353 -10.422 719 1HA GLY 94 2HA GLY 94 -11.929 5.522 -9.880 720 2HA GLY 94 1HA GLY 94 -13.120 5.461 -11.176 721 H LEU 95 H LEU 95 -13.586 6.417 -8.520 722 HA LEU 95 HA LEU 95 -15.278 4.325 -7.376 723 1HB LEU 95 2HB LEU 95 -14.574 7.077 -6.349 724 2HB LEU 95 1HB LEU 95 -15.644 5.956 -5.530 725 HG LEU 95 HG LEU 95 -12.703 5.536 -6.067 726 1HD1 LEU 95 1HD1 LEU 95 -12.472 5.686 -3.655 727 2HD1 LEU 95 2HD1 LEU 95 -14.205 5.964 -3.487 728 3HD1 LEU 95 3HD1 LEU 95 -13.194 7.162 -4.295 729 1HD2 LEU 95 1HD2 LEU 95 -12.960 3.500 -4.724 730 2HD2 LEU 95 2HD2 LEU 95 -13.922 3.433 -6.202 731 3HD2 LEU 95 3HD2 LEU 95 -14.702 3.771 -4.657 732 H GLU 96 H GLU 96 -17.504 4.597 -7.085 733 HA GLU 96 HA GLU 96 -18.826 5.845 -9.233 734 1HB GLU 96 2HB GLU 96 -19.841 4.688 -6.640 735 2HB GLU 96 1HB GLU 96 -20.906 5.316 -7.891 736 1HG GLU 96 2HG GLU 96 -20.102 3.674 -9.460 737 2HG GLU 96 1HG GLU 96 -18.919 3.093 -8.289 738 H HIS 97 H HIS 97 -19.391 7.863 -9.521 739 HA HIS 97 HA HIS 97 -19.429 9.664 -7.190 740 1HB HIS 97 2HB HIS 97 -19.167 11.495 -8.922 741 2HB HIS 97 1HB HIS 97 -17.788 10.423 -8.734 742 HD1 HIS 97 HD1 HIS 97 -16.909 9.357 -10.787 743 HD2 HIS 97 HD2 HIS 97 -20.714 10.945 -11.352 744 HE1 HIS 97 HE1 HIS 97 -17.382 9.134 -13.249 745 HE2 HIS 97 HE2 HIS 97 -19.558 10.355 -13.592 746 H HIS 98 H HIS 98 -21.613 8.072 -7.566 747 HA HIS 98 HA HIS 98 -23.655 9.468 -9.042 748 1HB HIS 98 2HB HIS 98 -23.760 7.149 -7.103 749 2HB HIS 98 1HB HIS 98 -25.194 7.833 -7.858 750 HD1 HIS 98 HD1 HIS 98 -25.868 6.784 -9.996 751 HD2 HIS 98 HD2 HIS 98 -21.848 6.147 -9.143 752 HE1 HIS 98 HE1 HIS 98 -25.023 5.256 -11.808 753 HE2 HIS 98 HE2 HIS 98 -22.612 4.794 -11.213 754 H HIS 99 H HIS 99 -25.764 10.000 -7.806 755 HA HIS 99 HA HIS 99 -25.184 11.166 -5.179 756 1HB HIS 99 2HB HIS 99 -26.097 13.319 -5.760 757 2HB HIS 99 1HB HIS 99 -24.829 12.931 -6.915 758 HD1 HIS 99 HD1 HIS 99 -28.337 13.897 -6.678 759 HD2 HIS 99 HD2 HIS 99 -25.865 12.143 -9.520 760 HE1 HIS 99 HE1 HIS 99 -29.588 14.060 -8.857 761 HE2 HIS 99 HE2 HIS 99 -28.041 13.062 -10.581 762 H HIS 100 H HIS 100 -27.032 11.526 -3.879 763 HA HIS 100 HA HIS 100 -29.271 9.797 -4.632 764 1HB HIS 100 2HB HIS 100 -28.520 10.993 -1.956 765 2HB HIS 100 1HB HIS 100 -29.900 9.940 -2.232 766 HD1 HIS 100 HD1 HIS 100 -29.414 7.428 -2.661 767 HD2 HIS 100 HD2 HIS 100 -26.051 9.715 -1.779 768 HE1 HIS 100 HE1 HIS 100 -27.596 5.780 -2.110 769 HE2 HIS 100 HE2 HIS 100 -25.662 7.196 -1.329 770 H HIS 101 H HIS 101 -30.483 11.069 -5.970 771 HA HIS 101 HA HIS 101 -32.394 12.725 -4.740 772 1HB HIS 101 2HB HIS 101 -30.505 14.368 -4.808 773 2HB HIS 101 1HB HIS 101 -30.491 14.220 -6.562 774 HD1 HIS 101 HD1 HIS 101 -32.500 15.620 -3.729 775 HD2 HIS 101 HD2 HIS 101 -32.529 15.600 -7.889 776 HE1 HIS 101 HE1 HIS 101 -34.202 17.348 -4.408 777 HE2 HIS 101 HE2 HIS 101 -34.291 17.231 -6.926 778 H HIS 102 HN HIS 102 -34.181 12.337 -5.868 779 HA HIS 102 HA HIS 102 -34.028 12.240 -8.792 780 1HB HIS 102 2HB HIS 102 -35.186 10.064 -7.046 781 2HB HIS 102 1HB HIS 102 -35.626 10.254 -8.740 782 HD1 HIS 102 HD1 HIS 102 -33.642 9.933 -10.495 783 HD2 HIS 102 HD2 HIS 102 -32.833 8.745 -6.591 784 HE1 HIS 102 HE1 HIS 102 -31.598 8.470 -10.639 785 HE2 HIS 102 HE2 HIS 102 -30.992 7.976 -8.240 Start of MODEL 12 1 1H MET 1 1H MET 1 23.530 -1.508 -5.203 2 2H MET 1 2H MET 1 23.391 -2.678 -6.420 3 3H MET 1 3H MET 1 22.060 -1.696 -6.031 4 HA MET 1 HA MET 1 24.608 -0.834 -7.269 5 1HB MET 1 2HB MET 1 23.080 -1.965 -8.815 6 2HB MET 1 1HB MET 1 21.763 -0.921 -8.301 7 1HG MET 1 2HG MET 1 22.600 -0.189 -10.428 8 2HG MET 1 1HG MET 1 22.967 1.018 -9.198 9 1HE MET 1 1HE MET 1 26.069 -1.903 -10.974 10 2HE MET 1 2HE MET 1 24.389 -1.820 -11.500 11 3HE MET 1 3HE MET 1 24.778 -2.416 -9.886 12 H SER 2 H SER 2 21.422 0.126 -6.026 13 HA SER 2 HA SER 2 22.554 2.744 -5.383 14 1HB SER 2 2HB SER 2 21.445 2.975 -7.590 15 2HB SER 2 1HB SER 2 19.942 2.389 -6.881 16 HG SER 2 HG SER 2 21.103 4.872 -6.747 17 H ASN 3 H ASN 3 21.188 3.937 -3.852 18 HA ASN 3 HA ASN 3 19.791 2.135 -2.028 19 1HB ASN 3 2HB ASN 3 20.816 4.959 -1.742 20 2HB ASN 3 1HB ASN 3 19.754 4.225 -0.546 21 1HD2 ASN 3 1HD2 ASN 3 21.311 4.347 1.050 22 2HD2 ASN 3 2HD2 ASN 3 22.697 3.292 1.082 23 H LEU 4 H LEU 4 18.862 3.313 -4.672 24 HA LEU 4 HA LEU 4 16.205 4.124 -3.711 25 1HB LEU 4 2HB LEU 4 17.757 5.229 -6.055 26 2HB LEU 4 1HB LEU 4 16.035 5.479 -5.843 27 HG LEU 4 HG LEU 4 18.169 6.409 -3.923 28 1HD1 LEU 4 1HD1 LEU 4 17.587 8.656 -4.733 29 2HD1 LEU 4 2HD1 LEU 4 16.516 7.933 -5.933 30 3HD1 LEU 4 3HD1 LEU 4 18.254 7.643 -6.015 31 1HD2 LEU 4 1HD2 LEU 4 15.199 6.923 -3.988 32 2HD2 LEU 4 2HD2 LEU 4 16.350 7.633 -2.854 33 3HD2 LEU 4 3HD2 LEU 4 16.045 5.895 -2.832 34 H GLU 5 H GLU 5 17.076 1.485 -4.267 35 HA GLU 5 HA GLU 5 15.873 0.879 -6.869 36 1HB GLU 5 2HB GLU 5 17.453 -0.855 -4.960 37 2HB GLU 5 1HB GLU 5 16.753 -1.426 -6.469 38 1HG GLU 5 2HG GLU 5 18.125 0.275 -7.667 39 2HG GLU 5 1HG GLU 5 18.910 0.647 -6.134 40 H ILE 6 H ILE 6 14.324 -0.872 -7.013 41 HA ILE 6 HA ILE 6 12.337 -0.609 -4.915 42 HB ILE 6 HB ILE 6 12.139 -2.137 -7.520 43 1HG1 ILE 6 2HG1 ILE 6 11.190 0.661 -6.853 44 2HG1 ILE 6 1HG1 ILE 6 12.569 0.275 -7.876 45 1HG2 ILE 6 1HG2 ILE 6 9.998 -1.164 -5.630 46 2HG2 ILE 6 2HG2 ILE 6 10.537 -2.835 -5.799 47 3HG2 ILE 6 3HG2 ILE 6 9.733 -2.025 -7.145 48 1HD1 ILE 6 1HD1 ILE 6 11.080 -0.820 -9.470 49 2HD1 ILE 6 2HD1 ILE 6 10.623 0.861 -9.198 50 3HD1 ILE 6 3HD1 ILE 6 9.699 -0.435 -8.441 51 H LYS 7 H LYS 7 12.420 -1.936 -3.227 52 HA LYS 7 HA LYS 7 13.281 -4.704 -3.630 53 1HB LYS 7 2HB LYS 7 12.774 -3.089 -1.130 54 2HB LYS 7 1HB LYS 7 13.139 -4.810 -1.116 55 1HG LYS 7 2HG LYS 7 15.298 -4.390 -2.134 56 2HG LYS 7 1HG LYS 7 14.932 -2.664 -2.234 57 1HD LYS 7 2HD LYS 7 14.884 -2.470 0.152 58 2HD LYS 7 1HD LYS 7 15.010 -4.219 0.349 59 1HE LYS 7 2HE LYS 7 17.247 -4.180 -0.617 60 2HE LYS 7 1HE LYS 7 17.117 -2.441 -0.878 61 1HZ LYS 7 1HZ LYS 7 16.902 -3.680 1.814 62 2HZ LYS 7 2HZ LYS 7 17.127 -2.044 1.434 63 3HZ LYS 7 3HZ LYS 7 18.376 -3.147 1.159 64 H GLN 8 H GLN 8 11.931 -6.456 -2.911 65 HA GLN 8 HA GLN 8 9.092 -5.740 -3.189 66 1HB GLN 8 2HB GLN 8 10.615 -8.111 -4.255 67 2HB GLN 8 1HB GLN 8 8.862 -8.101 -4.146 68 1HG GLN 8 2HG GLN 8 8.936 -7.290 -6.216 69 2HG GLN 8 1HG GLN 8 9.333 -5.758 -5.442 70 1HE2 GLN 8 1HE2 GLN 8 12.007 -6.777 -4.662 71 2HE2 GLN 8 2HE2 GLN 8 12.959 -6.735 -6.101 72 H GLY 9 H GLY 9 7.730 -6.329 -1.659 73 1HA GLY 9 2HA GLY 9 8.515 -8.500 0.174 74 2HA GLY 9 1HA GLY 9 7.900 -6.972 0.792 75 H GLU 10 H GLU 10 6.381 -8.660 1.759 76 HA GLU 10 HA GLU 10 4.490 -9.961 0.075 77 1HB GLU 10 2HB GLU 10 4.189 -9.311 3.012 78 2HB GLU 10 1HB GLU 10 3.381 -10.588 2.114 79 1HG GLU 10 2HG GLU 10 5.392 -11.818 1.878 80 2HG GLU 10 1HG GLU 10 6.358 -10.473 2.485 81 H ASN 11 H ASN 11 3.333 -8.647 -1.219 82 HA ASN 11 HA ASN 11 1.577 -7.347 -1.847 83 1HB ASN 11 2HB ASN 11 1.107 -7.100 1.127 84 2HB ASN 11 1HB ASN 11 0.083 -6.331 -0.079 85 1HD2 ASN 11 1HD2 ASN 11 0.345 -8.575 -1.946 86 2HD2 ASN 11 2HD2 ASN 11 -0.644 -9.845 -1.304 87 H LYS 12 H LYS 12 4.375 -6.260 -0.765 88 HA LYS 12 HA LYS 12 3.585 -3.493 -1.269 89 1HB LYS 12 2HB LYS 12 4.822 -2.562 0.538 90 2HB LYS 12 1HB LYS 12 3.766 -3.792 1.207 91 1HG LYS 12 2HG LYS 12 6.526 -4.604 0.512 92 2HG LYS 12 1HG LYS 12 6.308 -3.551 1.909 93 1HD LYS 12 2HD LYS 12 4.854 -6.159 1.489 94 2HD LYS 12 1HD LYS 12 6.314 -5.974 2.461 95 1HE LYS 12 2HE LYS 12 5.177 -4.463 3.960 96 2HE LYS 12 1HE LYS 12 3.736 -4.487 2.946 97 1HZ LYS 12 1HZ LYS 12 3.354 -6.752 3.490 98 2HZ LYS 12 2HZ LYS 12 3.632 -5.938 4.953 99 3HZ LYS 12 3HZ LYS 12 4.849 -6.900 4.269 100 H PHE 13 H PHE 13 4.967 -2.303 -2.418 101 HA PHE 13 HA PHE 13 7.672 -3.369 -2.919 102 1HB PHE 13 2HB PHE 13 6.076 -1.360 -4.539 103 2HB PHE 13 1HB PHE 13 7.709 -1.897 -4.910 104 HD1 PHE 13 HD1 PHE 13 7.744 -4.686 -4.801 105 HD2 PHE 13 HD2 PHE 13 4.535 -2.169 -5.996 106 HE1 PHE 13 HE1 PHE 13 6.835 -6.506 -6.183 107 HE2 PHE 13 HE2 PHE 13 3.617 -3.983 -7.377 108 HZ PHE 13 HZ PHE 13 4.767 -6.156 -7.471 109 H TYR 14 H TYR 14 9.333 -2.200 -2.045 110 HA TYR 14 HA TYR 14 8.709 0.539 -1.211 111 1HB TYR 14 2HB TYR 14 9.868 0.204 0.934 112 2HB TYR 14 1HB TYR 14 8.437 -0.804 0.781 113 HD1 TYR 14 HD1 TYR 14 8.729 -3.262 0.302 114 HD2 TYR 14 HD2 TYR 14 11.998 -0.733 1.318 115 HE1 TYR 14 HE1 TYR 14 10.062 -5.236 0.902 116 HE2 TYR 14 HE2 TYR 14 13.340 -2.704 1.918 117 HH TYR 14 HH TYR 14 13.106 -4.979 2.513 118 H ILE 15 H ILE 15 10.193 1.997 -1.563 119 HA ILE 15 HA ILE 15 12.815 1.113 -2.581 120 HB ILE 15 HB ILE 15 11.287 3.664 -3.139 121 1HG1 ILE 15 2HG1 ILE 15 12.011 1.342 -4.936 122 2HG1 ILE 15 1HG1 ILE 15 10.402 1.698 -4.315 123 1HG2 ILE 15 1HG2 ILE 15 13.683 4.085 -3.034 124 2HG2 ILE 15 2HG2 ILE 15 13.091 4.219 -4.691 125 3HG2 ILE 15 3HG2 ILE 15 13.972 2.778 -4.182 126 1HD1 ILE 15 1HD1 ILE 15 10.390 3.795 -5.570 127 2HD1 ILE 15 2HD1 ILE 15 10.628 2.401 -6.624 128 3HD1 ILE 15 3HD1 ILE 15 11.997 3.426 -6.193 129 H GLY 16 H GLY 16 14.561 1.640 -1.401 130 1HA GLY 16 2HA GLY 16 15.019 4.059 -0.134 131 2HA GLY 16 1HA GLY 16 14.289 3.007 1.069 132 H ASP 17 H ASP 17 16.661 3.850 1.702 133 HA ASP 17 HA ASP 17 18.898 2.417 0.749 134 1HB ASP 17 2HB ASP 17 18.462 3.601 3.502 135 2HB ASP 17 1HB ASP 17 20.015 3.182 2.788 136 H ASP 18 H ASP 18 16.507 1.757 3.207 137 HA ASP 18 HA ASP 18 17.536 -0.945 3.557 138 1HB ASP 18 2HB ASP 18 18.680 0.508 5.267 139 2HB ASP 18 1HB ASP 18 17.095 0.921 5.909 140 H GLU 19 H GLU 19 15.929 -2.200 5.007 141 HA GLU 19 HA GLU 19 13.286 -1.878 4.096 142 1HB GLU 19 2HB GLU 19 14.421 -3.421 6.434 143 2HB GLU 19 1HB GLU 19 12.724 -3.480 5.989 144 1HG GLU 19 2HG GLU 19 13.870 -5.405 5.117 145 2HG GLU 19 1HG GLU 19 13.340 -4.376 3.788 146 H ASN 20 H ASN 20 14.956 -0.841 7.015 147 HA ASN 20 HA ASN 20 12.647 0.349 8.233 148 1HB ASN 20 2HB ASN 20 14.498 -0.310 9.643 149 2HB ASN 20 1HB ASN 20 15.612 0.704 8.731 150 1HD2 ASN 20 1HD2 ASN 20 15.637 2.907 9.084 151 2HD2 ASN 20 2HD2 ASN 20 14.823 3.656 10.416 152 H ASN 21 H ASN 21 15.205 1.412 6.099 153 HA ASN 21 HA ASN 21 14.369 4.198 6.263 154 1HB ASN 21 2HB ASN 21 16.671 2.820 4.886 155 2HB ASN 21 1HB ASN 21 16.288 4.512 4.599 156 1HD2 ASN 21 1HD2 ASN 21 18.192 5.253 5.444 157 2HD2 ASN 21 2HD2 ASN 21 18.547 5.210 7.139 158 H ALA 22 H ALA 22 12.502 2.371 5.164 159 HA ALA 22 HA ALA 22 12.473 2.537 2.327 160 1HB ALA 22 1HB ALA 22 10.159 1.789 2.493 161 2HB ALA 22 2HB ALA 22 10.166 2.102 4.228 162 3HB ALA 22 3HB ALA 22 11.194 0.837 3.557 163 H LEU 23 H LEU 23 12.525 4.464 1.384 164 HA LEU 23 HA LEU 23 11.436 6.821 2.560 165 1HB LEU 23 2HB LEU 23 12.355 6.370 -0.278 166 2HB LEU 23 1HB LEU 23 12.090 7.925 0.488 167 HG LEU 23 HG LEU 23 14.214 5.920 1.258 168 1HD1 LEU 23 1HD1 LEU 23 15.771 7.579 0.375 169 2HD1 LEU 23 2HD1 LEU 23 14.415 8.592 -0.125 170 3HD1 LEU 23 3HD1 LEU 23 14.661 7.014 -0.875 171 1HD2 LEU 23 1HD2 LEU 23 13.678 8.699 2.301 172 2HD2 LEU 23 2HD2 LEU 23 15.037 7.666 2.747 173 3HD2 LEU 23 3HD2 LEU 23 13.391 7.197 3.178 174 H ALA 24 H ALA 24 10.336 4.481 0.230 175 HA ALA 24 HA ALA 24 7.665 5.605 0.357 176 1HB ALA 24 1HB ALA 24 8.681 6.781 -1.541 177 2HB ALA 24 2HB ALA 24 7.379 5.708 -2.056 178 3HB ALA 24 3HB ALA 24 9.058 5.229 -2.293 179 H GLU 25 H GLU 25 6.426 3.917 0.871 180 HA GLU 25 HA GLU 25 6.914 1.391 -0.570 181 1HB GLU 25 2HB GLU 25 6.197 0.119 1.336 182 2HB GLU 25 1HB GLU 25 7.464 1.213 1.858 183 1HG GLU 25 2HG GLU 25 4.545 1.811 2.225 184 2HG GLU 25 1HG GLU 25 5.495 0.919 3.407 185 H ILE 26 H ILE 26 5.203 0.403 -1.497 186 HA ILE 26 HA ILE 26 2.563 1.644 -1.106 187 HB ILE 26 HB ILE 26 3.364 2.399 -3.248 188 1HG1 ILE 26 2HG1 ILE 26 1.405 0.145 -3.727 189 2HG1 ILE 26 1HG1 ILE 26 0.973 1.705 -3.033 190 1HG2 ILE 26 1HG2 ILE 26 3.962 0.833 -5.056 191 2HG2 ILE 26 2HG2 ILE 26 3.853 -0.501 -3.908 192 3HG2 ILE 26 3HG2 ILE 26 5.073 0.755 -3.689 193 1HD1 ILE 26 1HD1 ILE 26 0.415 1.654 -5.373 194 2HD1 ILE 26 2HD1 ILE 26 2.071 1.213 -5.792 195 3HD1 ILE 26 3HD1 ILE 26 1.726 2.801 -5.102 196 H THR 27 H THR 27 1.065 0.264 -0.433 197 HA THR 27 HA THR 27 1.599 -2.607 -0.723 198 HB THR 27 HB THR 27 -0.141 -2.858 1.080 199 HG1 THR 27 HG1 THR 27 -0.989 -1.120 1.995 200 1HG2 THR 27 1HG2 THR 27 1.378 -2.084 2.905 201 2HG2 THR 27 2HG2 THR 27 2.377 -1.310 1.671 202 3HG2 THR 27 3HG2 THR 27 2.164 -3.061 1.667 203 H TYR 28 H TYR 28 0.212 -3.941 -1.721 204 HA TYR 28 HA TYR 28 -2.499 -3.061 -2.317 205 1HB TYR 28 2HB TYR 28 -2.391 -3.484 -4.668 206 2HB TYR 28 1HB TYR 28 -1.061 -2.399 -4.288 207 HD1 TYR 28 HD1 TYR 28 -2.004 -5.435 -5.861 208 HD2 TYR 28 HD2 TYR 28 1.273 -3.506 -3.950 209 HE1 TYR 28 HE1 TYR 28 -0.454 -6.999 -6.956 210 HE2 TYR 28 HE2 TYR 28 2.830 -5.066 -5.039 211 HH TYR 28 HH TYR 28 2.784 -7.330 -6.020 212 H ARG 29 H ARG 29 -3.935 -4.734 -2.309 213 HA ARG 29 HA ARG 29 -2.869 -7.463 -2.281 214 1HB ARG 29 2HB ARG 29 -2.963 -6.847 0.051 215 2HB ARG 29 1HB ARG 29 -4.599 -6.236 -0.133 216 1HG ARG 29 2HG ARG 29 -5.432 -8.465 -0.532 217 2HG ARG 29 1HG ARG 29 -3.796 -9.117 -0.471 218 1HD ARG 29 2HD ARG 29 -5.053 -7.630 1.816 219 2HD ARG 29 1HD ARG 29 -5.186 -9.377 1.620 220 HE ARG 29 HE ARG 29 -2.477 -8.680 1.471 221 1HH1 ARG 29 2HH1 ARG 29 -5.074 -8.621 3.811 222 2HH1 ARG 29 1HH1 ARG 29 -4.036 -8.972 5.163 223 1HH2 ARG 29 1HH2 ARG 29 -1.104 -9.128 3.227 224 2HH2 ARG 29 2HH2 ARG 29 -1.766 -9.271 4.828 225 H PHE 30 H PHE 30 -4.260 -9.025 -2.996 226 HA PHE 30 HA PHE 30 -6.398 -8.244 -4.689 227 1HB PHE 30 2HB PHE 30 -5.675 -10.990 -3.632 228 2HB PHE 30 1HB PHE 30 -6.774 -10.665 -4.966 229 HD1 PHE 30 HD1 PHE 30 -5.963 -10.148 -7.144 230 HD2 PHE 30 HD2 PHE 30 -3.254 -10.598 -3.888 231 HE1 PHE 30 HE1 PHE 30 -4.079 -10.248 -8.723 232 HE2 PHE 30 HE2 PHE 30 -1.371 -10.694 -5.466 233 HZ PHE 30 HZ PHE 30 -1.781 -10.523 -7.887 234 H VAL 31 H VAL 31 -8.254 -7.471 -3.878 235 HA VAL 31 HA VAL 31 -9.270 -8.521 -1.356 236 HB VAL 31 HB VAL 31 -11.044 -6.782 -1.582 237 1HG1 VAL 31 1HG1 VAL 31 -9.585 -4.885 -1.105 238 2HG1 VAL 31 2HG1 VAL 31 -8.213 -5.759 -1.785 239 3HG1 VAL 31 3HG1 VAL 31 -8.997 -6.349 -0.318 240 1HG2 VAL 31 1HG2 VAL 31 -9.470 -5.989 -4.031 241 2HG2 VAL 31 2HG2 VAL 31 -10.719 -5.002 -3.270 242 3HG2 VAL 31 3HG2 VAL 31 -11.139 -6.560 -3.986 243 H ASP 32 H ASP 32 -9.881 -8.689 -4.770 244 HA ASP 32 HA ASP 32 -11.614 -10.930 -4.350 245 1HB ASP 32 2HB ASP 32 -13.153 -8.944 -4.116 246 2HB ASP 32 1HB ASP 32 -12.814 -8.570 -5.805 247 H ASN 33 H ASN 33 -10.173 -12.065 -5.531 248 HA ASN 33 HA ASN 33 -9.327 -13.098 -7.339 249 1HB ASN 33 2HB ASN 33 -11.757 -13.100 -7.940 250 2HB ASN 33 1HB ASN 33 -11.462 -11.666 -8.915 251 1HD2 ASN 33 1HD2 ASN 33 -12.111 -12.756 -10.781 252 2HD2 ASN 33 2HD2 ASN 33 -11.095 -13.926 -11.554 253 H ASN 34 H ASN 34 -10.343 -10.223 -9.131 254 HA ASN 34 HA ASN 34 -7.549 -9.923 -10.001 255 1HB ASN 34 2HB ASN 34 -10.154 -9.179 -11.326 256 2HB ASN 34 1HB ASN 34 -8.613 -8.532 -11.876 257 1HD2 ASN 34 1HD2 ASN 34 -7.148 -9.886 -12.892 258 2HD2 ASN 34 2HD2 ASN 34 -7.584 -11.455 -13.467 259 H GLU 35 H GLU 35 -9.913 -8.452 -8.082 260 HA GLU 35 HA GLU 35 -9.065 -5.740 -8.578 261 1HB GLU 35 2HB GLU 35 -10.929 -6.926 -6.524 262 2HB GLU 35 1HB GLU 35 -10.578 -5.204 -6.650 263 1HG GLU 35 2HG GLU 35 -11.446 -5.191 -8.929 264 2HG GLU 35 1HG GLU 35 -11.797 -6.913 -8.807 265 H ILE 36 H ILE 36 -7.289 -4.914 -7.813 266 HA ILE 36 HA ILE 36 -6.223 -5.942 -5.271 267 HB ILE 36 HB ILE 36 -4.050 -4.922 -5.999 268 1HG1 ILE 36 2HG1 ILE 36 -5.433 -4.741 -8.687 269 2HG1 ILE 36 1HG1 ILE 36 -4.984 -3.366 -7.684 270 1HG2 ILE 36 1HG2 ILE 36 -4.470 -7.311 -6.170 271 2HG2 ILE 36 2HG2 ILE 36 -3.474 -6.753 -7.515 272 3HG2 ILE 36 3HG2 ILE 36 -5.188 -7.082 -7.764 273 1HD1 ILE 36 1HD1 ILE 36 -3.069 -5.346 -8.896 274 2HD1 ILE 36 2HD1 ILE 36 -2.635 -3.933 -7.931 275 3HD1 ILE 36 3HD1 ILE 36 -3.406 -3.725 -9.505 276 H ASN 37 H ASN 37 -6.370 -4.667 -3.582 277 HA ASN 37 HA ASN 37 -7.106 -1.866 -3.973 278 1HB ASN 37 2HB ASN 37 -8.452 -3.256 -2.429 279 2HB ASN 37 1HB ASN 37 -7.021 -3.522 -1.441 280 1HD2 ASN 37 1HD2 ASN 37 -7.951 -0.495 -3.000 281 2HD2 ASN 37 2HD2 ASN 37 -8.235 0.378 -1.527 282 H ILE 38 H ILE 38 -5.558 -0.377 -3.956 283 HA ILE 38 HA ILE 38 -3.018 -0.864 -2.676 284 HB ILE 38 HB ILE 38 -4.133 1.587 -4.057 285 1HG1 ILE 38 2HG1 ILE 38 -2.152 1.123 -5.583 286 2HG1 ILE 38 1HG1 ILE 38 -1.969 -0.409 -4.738 287 1HG2 ILE 38 1HG2 ILE 38 -1.941 2.638 -3.770 288 2HG2 ILE 38 2HG2 ILE 38 -1.421 1.280 -2.773 289 3HG2 ILE 38 3HG2 ILE 38 -2.724 2.331 -2.220 290 1HD1 ILE 38 1HD1 ILE 38 -3.154 -0.694 -6.828 291 2HD1 ILE 38 2HD1 ILE 38 -4.380 0.465 -6.314 292 3HD1 ILE 38 3HD1 ILE 38 -4.206 -1.070 -5.464 293 H ASP 39 H ASP 39 -2.917 -0.838 -0.570 294 HA ASP 39 HA ASP 39 -4.973 0.347 1.024 295 1HB ASP 39 2HB ASP 39 -3.946 -1.783 1.656 296 2HB ASP 39 1HB ASP 39 -2.388 -0.983 1.855 297 H HIS 40 H HIS 40 -1.429 0.810 1.041 298 HA HIS 40 HA HIS 40 -1.880 3.657 1.433 299 1HB HIS 40 2HB HIS 40 -0.336 3.799 3.343 300 2HB HIS 40 1HB HIS 40 -1.751 2.830 3.721 301 HD1 HIS 40 HD1 HIS 40 -1.386 0.406 4.383 302 HD2 HIS 40 HD2 HIS 40 2.109 2.321 3.159 303 HE1 HIS 40 HE1 HIS 40 0.502 -1.110 5.069 304 HE2 HIS 40 HE2 HIS 40 2.606 0.045 4.298 305 H THR 41 H THR 41 -0.279 4.953 0.699 306 HA THR 41 HA THR 41 2.180 3.706 -0.305 307 HB THR 41 HB THR 41 0.633 5.814 -1.828 308 HG1 THR 41 HG1 THR 41 0.526 3.008 -1.888 309 1HG2 THR 41 1HG2 THR 41 2.133 5.174 -3.672 310 2HG2 THR 41 2HG2 THR 41 2.960 4.046 -2.597 311 3HG2 THR 41 3HG2 THR 41 3.029 5.780 -2.280 312 H GLY 42 H GLY 42 3.591 4.586 1.127 313 1HA GLY 42 2HA GLY 42 3.219 7.403 1.879 314 2HA GLY 42 1HA GLY 42 4.171 6.217 2.766 315 H VAL 43 H VAL 43 4.314 8.808 0.683 316 HA VAL 43 HA VAL 43 7.058 8.098 -0.098 317 HB VAL 43 HB VAL 43 5.260 10.207 -1.318 318 1HG1 VAL 43 1HG1 VAL 43 8.002 9.262 -2.153 319 2HG1 VAL 43 2HG1 VAL 43 7.629 10.811 -1.400 320 3HG1 VAL 43 3HG1 VAL 43 7.006 10.442 -3.007 321 1HG2 VAL 43 1HG2 VAL 43 4.499 7.976 -1.889 322 2HG2 VAL 43 2HG2 VAL 43 6.130 7.520 -2.382 323 3HG2 VAL 43 3HG2 VAL 43 5.242 8.739 -3.296 324 H SER 44 H SER 44 8.439 8.869 1.338 325 HA SER 44 HA SER 44 7.896 11.048 3.075 326 1HB SER 44 2HB SER 44 10.630 9.977 2.415 327 2HB SER 44 1HB SER 44 10.094 10.723 3.914 328 HG SER 44 HG SER 44 9.361 8.177 2.888 329 H ASP 45 H ASP 45 8.079 13.132 2.710 330 HA ASP 45 HA ASP 45 9.136 13.993 0.140 331 1HB ASP 45 2HB ASP 45 7.969 16.161 0.688 332 2HB ASP 45 1HB ASP 45 6.917 14.761 0.524 333 H GLU 46 H GLU 46 11.343 13.931 0.565 334 HA GLU 46 HA GLU 46 12.286 16.024 2.397 335 1HB GLU 46 2HB GLU 46 14.544 14.831 2.075 336 2HB GLU 46 1HB GLU 46 13.330 14.064 3.085 337 1HG GLU 46 2HG GLU 46 12.702 12.621 1.189 338 2HG GLU 46 1HG GLU 46 13.992 13.353 0.237 339 H LEU 47 H LEU 47 13.325 14.583 -0.726 340 HA LEU 47 HA LEU 47 14.582 16.993 -1.576 341 1HB LEU 47 2HB LEU 47 13.742 14.525 -3.095 342 2HB LEU 47 1HB LEU 47 14.524 15.887 -3.866 343 HG LEU 47 HG LEU 47 16.428 15.510 -2.181 344 1HD1 LEU 47 1HD1 LEU 47 16.656 13.235 -1.356 345 2HD1 LEU 47 2HD1 LEU 47 15.059 12.834 -1.986 346 3HD1 LEU 47 3HD1 LEU 47 15.223 14.011 -0.682 347 1HD2 LEU 47 1HD2 LEU 47 15.845 13.499 -4.351 348 2HD2 LEU 47 2HD2 LEU 47 17.424 13.772 -3.612 349 3HD2 LEU 47 3HD2 LEU 47 16.656 15.058 -4.543 350 H GLY 48 H GLY 48 11.704 15.330 -2.856 351 1HA GLY 48 2HA GLY 48 9.813 17.221 -2.784 352 2HA GLY 48 1HA GLY 48 10.814 17.782 -4.116 353 H GLY 49 H GLY 49 9.503 17.410 -5.829 354 1HA GLY 49 2HA GLY 49 7.994 14.962 -6.061 355 2HA GLY 49 1HA GLY 49 8.063 16.264 -7.239 356 H GLN 50 H GLN 50 9.859 13.525 -5.942 357 HA GLN 50 HA GLN 50 11.435 13.404 -8.405 358 1HB GLN 50 2HB GLN 50 12.728 11.634 -7.134 359 2HB GLN 50 1HB GLN 50 12.820 13.266 -6.487 360 1HG GLN 50 2HG GLN 50 11.047 12.639 -4.851 361 2HG GLN 50 1HG GLN 50 11.174 10.980 -5.436 362 1HE2 GLN 50 1HE2 GLN 50 11.847 10.256 -3.392 363 2HE2 GLN 50 2HE2 GLN 50 13.443 10.562 -2.805 364 H GLY 51 H GLY 51 11.693 11.335 -9.495 365 1HA GLY 51 2HA GLY 51 9.076 10.237 -9.961 366 2HA GLY 51 1HA GLY 51 10.535 9.881 -10.866 367 H VAL 52 H VAL 52 10.293 9.495 -7.386 368 HA VAL 52 HA VAL 52 11.066 6.744 -7.561 369 HB VAL 52 HB VAL 52 10.177 8.422 -5.207 370 1HG1 VAL 52 1HG1 VAL 52 9.702 6.079 -4.755 371 2HG1 VAL 52 2HG1 VAL 52 11.064 6.637 -3.783 372 3HG1 VAL 52 3HG1 VAL 52 11.348 5.645 -5.214 373 1HG2 VAL 52 1HG2 VAL 52 12.912 7.469 -6.055 374 2HG2 VAL 52 2HG2 VAL 52 12.543 8.427 -4.621 375 3HG2 VAL 52 3HG2 VAL 52 12.290 9.113 -6.225 376 H GLY 53 H GLY 53 8.105 8.459 -6.613 377 1HA GLY 53 2HA GLY 53 6.577 6.114 -6.120 378 2HA GLY 53 1HA GLY 53 5.937 7.733 -6.367 379 H LYS 54 H LYS 54 7.309 7.934 -8.995 380 HA LYS 54 HA LYS 54 5.162 7.057 -10.611 381 1HB LYS 54 2HB LYS 54 7.047 8.912 -10.952 382 2HB LYS 54 1HB LYS 54 7.833 7.604 -11.826 383 1HG LYS 54 2HG LYS 54 6.633 8.865 -13.423 384 2HG LYS 54 1HG LYS 54 5.720 7.376 -13.170 385 1HD LYS 54 2HD LYS 54 4.261 8.595 -11.578 386 2HD LYS 54 1HD LYS 54 5.130 10.079 -11.964 387 1HE LYS 54 2HE LYS 54 3.572 8.386 -13.913 388 2HE LYS 54 1HE LYS 54 3.021 9.898 -13.201 389 1HZ LYS 54 1HZ LYS 54 5.343 9.560 -15.026 390 2HZ LYS 54 2HZ LYS 54 4.897 11.018 -14.289 391 3HZ LYS 54 3HZ LYS 54 3.853 10.282 -15.403 392 H LYS 55 H LYS 55 8.330 5.732 -9.877 393 HA LYS 55 HA LYS 55 8.220 3.617 -11.781 394 1HB LYS 55 2HB LYS 55 9.881 3.891 -9.268 395 2HB LYS 55 1HB LYS 55 10.147 2.705 -10.539 396 1HG LYS 55 2HG LYS 55 10.672 4.444 -12.115 397 2HG LYS 55 1HG LYS 55 10.267 5.686 -10.930 398 1HD LYS 55 2HD LYS 55 12.092 4.815 -9.483 399 2HD LYS 55 1HD LYS 55 12.545 3.712 -10.786 400 1HE LYS 55 2HE LYS 55 12.979 5.584 -12.258 401 2HE LYS 55 1HE LYS 55 12.427 6.715 -11.025 402 1HZ LYS 55 1HZ LYS 55 14.771 6.711 -10.974 403 2HZ LYS 55 2HZ LYS 55 14.859 5.021 -10.958 404 3HZ LYS 55 3HZ LYS 55 14.272 5.850 -9.601 405 H LEU 56 H LEU 56 7.368 3.952 -8.376 406 HA LEU 56 HA LEU 56 6.736 1.264 -7.853 407 1HB LEU 56 2HB LEU 56 5.612 3.814 -6.705 408 2HB LEU 56 1HB LEU 56 5.211 2.221 -6.091 409 HG LEU 56 HG LEU 56 7.985 3.416 -6.129 410 1HD1 LEU 56 1HD1 LEU 56 6.046 3.019 -3.855 411 2HD1 LEU 56 2HD1 LEU 56 6.529 4.565 -4.554 412 3HD1 LEU 56 3HD1 LEU 56 7.713 3.574 -3.703 413 1HD2 LEU 56 1HD2 LEU 56 6.920 0.850 -4.952 414 2HD2 LEU 56 2HD2 LEU 56 8.535 1.500 -4.671 415 3HD2 LEU 56 3HD2 LEU 56 8.055 1.002 -6.295 416 H LEU 57 H LEU 57 4.726 3.956 -8.997 417 HA LEU 57 HA LEU 57 2.333 2.537 -9.268 418 1HB LEU 57 2HB LEU 57 3.443 5.047 -10.366 419 2HB LEU 57 1HB LEU 57 2.121 4.335 -11.269 420 HG LEU 57 HG LEU 57 0.700 4.416 -9.268 421 1HD1 LEU 57 1HD1 LEU 57 1.438 5.663 -7.288 422 2HD1 LEU 57 2HD1 LEU 57 3.060 5.771 -7.971 423 3HD1 LEU 57 3HD1 LEU 57 2.389 4.199 -7.541 424 1HD2 LEU 57 1HD2 LEU 57 0.705 6.278 -10.843 425 2HD2 LEU 57 2HD2 LEU 57 2.008 7.046 -9.935 426 3HD2 LEU 57 3HD2 LEU 57 0.422 6.835 -9.192 427 H LYS 58 H LYS 58 4.956 3.072 -11.608 428 HA LYS 58 HA LYS 58 3.756 1.771 -13.778 429 1HB LYS 58 2HB LYS 58 5.878 3.168 -13.822 430 2HB LYS 58 1HB LYS 58 6.720 1.746 -13.223 431 1HG LYS 58 2HG LYS 58 5.675 0.541 -15.246 432 2HG LYS 58 1HG LYS 58 5.388 2.165 -15.867 433 1HD LYS 58 2HD LYS 58 7.450 1.414 -16.783 434 2HD LYS 58 1HD LYS 58 7.840 2.611 -15.547 435 1HE LYS 58 2HE LYS 58 8.546 0.962 -14.022 436 2HE LYS 58 1HE LYS 58 7.790 -0.334 -14.950 437 1HZ LYS 58 1HZ LYS 58 9.415 0.018 -16.701 438 2HZ LYS 58 2HZ LYS 58 10.182 -0.334 -15.232 439 3HZ LYS 58 3HZ LYS 58 10.149 1.258 -15.808 440 H ALA 59 H ALA 59 5.692 0.511 -11.108 441 HA ALA 59 HA ALA 59 6.014 -2.117 -12.057 442 1HB ALA 59 1HB ALA 59 7.311 -1.197 -10.193 443 2HB ALA 59 2HB ALA 59 6.515 -2.703 -9.740 444 3HB ALA 59 3HB ALA 59 5.855 -1.161 -9.198 445 H VAL 60 H VAL 60 3.482 -0.624 -10.092 446 HA VAL 60 HA VAL 60 1.973 -3.003 -9.715 447 HB VAL 60 HB VAL 60 1.024 -0.130 -9.612 448 1HG1 VAL 60 1HG1 VAL 60 -0.796 -0.984 -8.238 449 2HG1 VAL 60 2HG1 VAL 60 -0.195 -2.629 -8.443 450 3HG1 VAL 60 3HG1 VAL 60 -0.807 -1.733 -9.834 451 1HG2 VAL 60 1HG2 VAL 60 1.335 -0.335 -7.180 452 2HG2 VAL 60 2HG2 VAL 60 2.855 -0.509 -8.059 453 3HG2 VAL 60 3HG2 VAL 60 2.042 -1.936 -7.414 454 H VAL 61 H VAL 61 1.644 -0.266 -11.962 455 HA VAL 61 HA VAL 61 -0.610 -1.168 -13.352 456 HB VAL 61 HB VAL 61 1.693 0.522 -14.339 457 1HG1 VAL 61 1HG1 VAL 61 -1.033 0.111 -15.562 458 2HG1 VAL 61 2HG1 VAL 61 0.507 -0.419 -16.240 459 3HG1 VAL 61 3HG1 VAL 61 0.155 1.303 -16.088 460 1HG2 VAL 61 1HG2 VAL 61 -1.028 1.285 -13.290 461 2HG2 VAL 61 2HG2 VAL 61 0.200 2.398 -13.893 462 3HG2 VAL 61 3HG2 VAL 61 0.503 1.462 -12.430 463 H GLU 62 H GLU 62 2.823 -1.779 -13.889 464 HA GLU 62 HA GLU 62 2.740 -3.204 -16.261 465 1HB GLU 62 2HB GLU 62 4.822 -2.555 -15.125 466 2HB GLU 62 1HB GLU 62 4.479 -3.695 -13.832 467 1HG GLU 62 2HG GLU 62 6.072 -4.724 -15.206 468 2HG GLU 62 1HG GLU 62 4.535 -5.505 -15.578 469 H HIS 63 H HIS 63 2.548 -4.452 -12.951 470 HA HIS 63 HA HIS 63 2.112 -7.144 -13.768 471 1HB HIS 63 2HB HIS 63 3.135 -6.259 -11.574 472 2HB HIS 63 1HB HIS 63 1.473 -6.031 -11.045 473 HD1 HIS 63 HD1 HIS 63 3.236 -8.949 -12.770 474 HD2 HIS 63 HD2 HIS 63 0.841 -8.115 -9.466 475 HE1 HIS 63 HE1 HIS 63 2.878 -11.150 -11.610 476 HE2 HIS 63 HE2 HIS 63 1.649 -10.574 -9.486 477 H ALA 64 H ALA 64 0.078 -4.425 -13.083 478 HA ALA 64 HA ALA 64 -2.377 -5.788 -12.736 479 1HB ALA 64 1HB ALA 64 -2.097 -3.462 -12.068 480 2HB ALA 64 2HB ALA 64 -3.425 -3.625 -13.217 481 3HB ALA 64 3HB ALA 64 -1.869 -2.994 -13.753 482 H ARG 65 H ARG 65 -1.027 -4.129 -15.614 483 HA ARG 65 HA ARG 65 -2.984 -4.998 -17.438 484 1HB ARG 65 2HB ARG 65 -0.054 -4.522 -18.015 485 2HB ARG 65 1HB ARG 65 -1.356 -4.516 -19.192 486 1HG ARG 65 2HG ARG 65 -2.304 -2.533 -18.148 487 2HG ARG 65 1HG ARG 65 -1.017 -2.548 -16.940 488 1HD ARG 65 2HD ARG 65 -0.724 -2.153 -19.913 489 2HD ARG 65 1HD ARG 65 -0.462 -0.951 -18.650 490 HE ARG 65 HE ARG 65 1.265 -3.009 -18.063 491 1HH1 ARG 65 2HH1 ARG 65 0.726 -0.858 -20.772 492 2HH1 ARG 65 1HH1 ARG 65 2.385 -0.919 -21.312 493 1HH2 ARG 65 1HH2 ARG 65 3.456 -3.092 -18.760 494 2HH2 ARG 65 2HH2 ARG 65 3.926 -2.172 -20.162 495 H GLU 66 H GLU 66 -0.034 -6.406 -16.287 496 HA GLU 66 HA GLU 66 0.402 -8.507 -18.008 497 1HB GLU 66 2HB GLU 66 1.887 -7.698 -16.187 498 2HB GLU 66 1HB GLU 66 0.823 -8.457 -15.017 499 1HG GLU 66 2HG GLU 66 1.309 -10.633 -16.251 500 2HG GLU 66 1HG GLU 66 2.633 -9.749 -17.015 501 H ASN 67 H ASN 67 -1.779 -8.377 -15.203 502 HA ASN 67 HA ASN 67 -2.721 -11.080 -15.929 503 1HB ASN 67 2HB ASN 67 -2.400 -9.914 -13.159 504 2HB ASN 67 1HB ASN 67 -3.172 -11.457 -13.508 505 1HD2 ASN 67 1HD2 ASN 67 -0.179 -9.722 -13.312 506 2HD2 ASN 67 2HD2 ASN 67 0.868 -11.094 -13.483 507 H ASN 68 H ASN 68 -3.656 -8.181 -16.398 508 HA ASN 68 HA ASN 68 -5.580 -6.984 -16.486 509 1HB ASN 68 2HB ASN 68 -6.682 -9.792 -16.474 510 2HB ASN 68 1HB ASN 68 -7.711 -8.375 -16.666 511 1HD2 ASN 68 1HD2 ASN 68 -5.261 -10.360 -18.120 512 2HD2 ASN 68 2HD2 ASN 68 -5.392 -9.704 -19.713 513 H LEU 69 H LEU 69 -4.667 -6.590 -14.146 514 HA LEU 69 HA LEU 69 -6.602 -7.401 -12.110 515 1HB LEU 69 2HB LEU 69 -3.990 -5.910 -11.831 516 2HB LEU 69 1HB LEU 69 -4.995 -6.464 -10.507 517 HG LEU 69 HG LEU 69 -3.574 -8.244 -12.488 518 1HD1 LEU 69 1HD1 LEU 69 -3.017 -7.716 -9.578 519 2HD1 LEU 69 2HD1 LEU 69 -2.063 -7.113 -10.932 520 3HD1 LEU 69 3HD1 LEU 69 -2.154 -8.847 -10.619 521 1HD2 LEU 69 1HD2 LEU 69 -5.635 -9.262 -11.735 522 2HD2 LEU 69 2HD2 LEU 69 -5.232 -8.902 -10.057 523 3HD2 LEU 69 3HD2 LEU 69 -4.262 -10.062 -10.969 524 H LYS 70 H LYS 70 -7.896 -5.991 -11.036 525 HA LYS 70 HA LYS 70 -8.299 -3.388 -12.275 526 1HB LYS 70 2HB LYS 70 -9.822 -4.750 -10.042 527 2HB LYS 70 1HB LYS 70 -10.297 -3.263 -10.844 528 1HG LYS 70 2HG LYS 70 -10.635 -4.456 -12.927 529 2HG LYS 70 1HG LYS 70 -10.073 -5.954 -12.181 530 1HD LYS 70 2HD LYS 70 -11.929 -5.811 -10.561 531 2HD LYS 70 1HD LYS 70 -12.500 -4.358 -11.377 532 1HE LYS 70 2HE LYS 70 -12.926 -5.608 -13.395 533 2HE LYS 70 1HE LYS 70 -12.221 -7.060 -12.681 534 1HZ LYS 70 1HZ LYS 70 -13.992 -7.215 -11.136 535 2HZ LYS 70 2HZ LYS 70 -14.711 -6.949 -12.652 536 3HZ LYS 70 3HZ LYS 70 -14.587 -5.678 -11.539 537 H ILE 71 H ILE 71 -7.156 -1.706 -11.543 538 HA ILE 71 HA ILE 71 -6.012 -1.797 -8.881 539 HB ILE 71 HB ILE 71 -5.723 0.205 -11.119 540 1HG1 ILE 71 2HG1 ILE 71 -3.851 -1.842 -9.906 541 2HG1 ILE 71 1HG1 ILE 71 -4.564 -1.889 -11.514 542 1HG2 ILE 71 1HG2 ILE 71 -5.593 1.359 -8.959 543 2HG2 ILE 71 2HG2 ILE 71 -4.029 1.325 -9.773 544 3HG2 ILE 71 3HG2 ILE 71 -4.350 0.225 -8.431 545 1HD1 ILE 71 1HD1 ILE 71 -2.583 0.148 -10.528 546 2HD1 ILE 71 2HD1 ILE 71 -3.286 0.084 -12.145 547 3HD1 ILE 71 3HD1 ILE 71 -2.232 -1.217 -11.590 548 H ILE 72 H ILE 72 -7.217 -1.229 -7.223 549 HA ILE 72 HA ILE 72 -8.724 1.291 -7.432 550 HB ILE 72 HB ILE 72 -10.157 0.384 -5.534 551 1HG1 ILE 72 2HG1 ILE 72 -9.017 -2.251 -6.500 552 2HG1 ILE 72 1HG1 ILE 72 -8.692 -1.516 -4.935 553 1HG2 ILE 72 1HG2 ILE 72 -11.633 -0.854 -7.070 554 2HG2 ILE 72 2HG2 ILE 72 -10.326 -0.906 -8.252 555 3HG2 ILE 72 3HG2 ILE 72 -11.020 0.643 -7.774 556 1HD1 ILE 72 1HD1 ILE 72 -11.031 -1.745 -4.325 557 2HD1 ILE 72 2HD1 ILE 72 -10.345 -3.302 -4.785 558 3HD1 ILE 72 3HD1 ILE 72 -11.388 -2.432 -5.908 559 H ALA 73 H ALA 73 -7.536 2.780 -6.466 560 HA ALA 73 HA ALA 73 -5.853 2.038 -4.195 561 1HB ALA 73 1HB ALA 73 -4.779 3.193 -6.070 562 2HB ALA 73 2HB ALA 73 -4.688 4.138 -4.586 563 3HB ALA 73 3HB ALA 73 -5.855 4.571 -5.836 564 H SER 74 H SER 74 -6.583 2.380 -2.222 565 HA SER 74 HA SER 74 -8.699 4.317 -1.761 566 1HB SER 74 2HB SER 74 -7.369 2.395 0.166 567 2HB SER 74 1HB SER 74 -8.821 3.347 0.482 568 HG SER 74 HG SER 74 -9.945 2.150 -0.988 569 H CYS 75 H CYS 75 -5.287 3.893 -1.189 570 HA CYS 75 HA CYS 75 -4.964 5.986 0.691 571 1HB CYS 75 2HB CYS 75 -3.246 4.243 0.274 572 2HB CYS 75 1HB CYS 75 -2.959 4.932 -1.320 573 HG CYS 75 HG CYS 75 -2.480 6.678 1.582 574 H SER 76 H SER 76 -5.267 8.071 0.387 575 HA SER 76 HA SER 76 -6.181 9.146 -2.006 576 1HB SER 76 2HB SER 76 -4.953 10.812 0.175 577 2HB SER 76 1HB SER 76 -6.354 11.172 -0.834 578 HG SER 76 HG SER 76 -7.598 10.087 0.484 579 H PHE 77 H PHE 77 -2.932 9.090 -0.651 580 HA PHE 77 HA PHE 77 -1.815 11.097 -2.271 581 1HB PHE 77 2HB PHE 77 -0.813 10.053 -0.176 582 2HB PHE 77 1HB PHE 77 -0.311 8.712 -1.200 583 HD1 PHE 77 HD1 PHE 77 1.519 8.938 -2.736 584 HD2 PHE 77 HD2 PHE 77 0.157 12.278 -0.469 585 HE1 PHE 77 HE1 PHE 77 3.554 10.183 -3.342 586 HE2 PHE 77 HE2 PHE 77 2.191 13.523 -1.071 587 HZ PHE 77 HZ PHE 77 3.890 12.475 -2.511 588 H ALA 78 H ALA 78 -1.932 7.571 -2.676 589 HA ALA 78 HA ALA 78 -0.652 7.638 -5.240 590 1HB ALA 78 1HB ALA 78 -2.186 5.431 -3.874 591 2HB ALA 78 2HB ALA 78 -0.440 5.680 -3.820 592 3HB ALA 78 3HB ALA 78 -1.226 5.254 -5.342 593 H LYS 79 H LYS 79 -3.942 7.453 -4.034 594 HA LYS 79 HA LYS 79 -5.295 6.875 -6.406 595 1HB LYS 79 2HB LYS 79 -6.264 6.880 -4.107 596 2HB LYS 79 1HB LYS 79 -6.232 8.636 -4.134 597 1HG LYS 79 2HG LYS 79 -7.768 8.581 -6.081 598 2HG LYS 79 1HG LYS 79 -7.863 6.827 -5.902 599 1HD LYS 79 2HD LYS 79 -8.631 7.201 -3.544 600 2HD LYS 79 1HD LYS 79 -8.737 8.922 -3.920 601 1HE LYS 79 2HE LYS 79 -10.915 7.917 -4.149 602 2HE LYS 79 1HE LYS 79 -10.319 8.381 -5.741 603 1HZ LYS 79 1HZ LYS 79 -9.679 6.087 -6.137 604 2HZ LYS 79 2HZ LYS 79 -11.331 6.183 -5.770 605 3HZ LYS 79 3HZ LYS 79 -10.237 5.635 -4.597 606 H HIS 80 H HIS 80 -4.395 9.999 -4.984 607 HA HIS 80 HA HIS 80 -5.553 11.528 -7.094 608 1HB HIS 80 2HB HIS 80 -5.144 12.331 -4.735 609 2HB HIS 80 1HB HIS 80 -3.434 12.429 -5.139 610 HD1 HIS 80 HD1 HIS 80 -6.756 14.012 -5.978 611 HD2 HIS 80 HD2 HIS 80 -2.689 14.673 -6.558 612 HE1 HIS 80 HE1 HIS 80 -6.571 16.335 -6.919 613 HE2 HIS 80 HE2 HIS 80 -4.135 16.598 -7.500 614 H MET 81 H MET 81 -2.497 9.958 -6.634 615 HA MET 81 HA MET 81 -1.073 11.463 -8.615 616 1HB MET 81 2HB MET 81 -0.027 10.076 -6.744 617 2HB MET 81 1HB MET 81 -0.419 8.656 -7.705 618 1HG MET 81 2HG MET 81 0.922 9.608 -9.559 619 2HG MET 81 1HG MET 81 1.398 10.921 -8.487 620 1HE MET 81 1HE MET 81 1.493 9.025 -5.725 621 2HE MET 81 2HE MET 81 2.572 10.380 -6.056 622 3HE MET 81 3HE MET 81 3.239 8.797 -5.649 623 H LEU 82 H LEU 82 -2.807 8.383 -8.533 624 HA LEU 82 HA LEU 82 -2.449 7.704 -11.259 625 1HB LEU 82 2HB LEU 82 -4.671 7.002 -9.337 626 2HB LEU 82 1HB LEU 82 -4.448 6.256 -10.906 627 HG LEU 82 HG LEU 82 -2.424 6.125 -8.667 628 1HD1 LEU 82 1HD1 LEU 82 -3.186 3.800 -8.391 629 2HD1 LEU 82 2HD1 LEU 82 -4.488 4.104 -9.542 630 3HD1 LEU 82 3HD1 LEU 82 -4.448 4.968 -8.006 631 1HD2 LEU 82 1HD2 LEU 82 -1.506 5.871 -10.931 632 2HD2 LEU 82 2HD2 LEU 82 -2.655 4.571 -11.244 633 3HD2 LEU 82 3HD2 LEU 82 -1.411 4.372 -10.008 634 H GLU 83 H GLU 83 -4.725 9.728 -9.557 635 HA GLU 83 HA GLU 83 -6.557 10.124 -11.689 636 1HB GLU 83 2HB GLU 83 -7.092 10.541 -9.310 637 2HB GLU 83 1HB GLU 83 -5.959 11.884 -9.297 638 1HG GLU 83 2HG GLU 83 -7.379 12.903 -11.137 639 2HG GLU 83 1HG GLU 83 -8.575 11.665 -10.751 640 H LYS 84 H LYS 84 -3.446 11.392 -10.980 641 HA LYS 84 HA LYS 84 -3.794 13.944 -12.206 642 1HB LYS 84 2HB LYS 84 -2.104 13.348 -10.406 643 2HB LYS 84 1HB LYS 84 -1.171 12.558 -11.669 644 1HG LYS 84 2HG LYS 84 -0.318 14.781 -11.250 645 2HG LYS 84 1HG LYS 84 -1.015 14.694 -12.870 646 1HD LYS 84 2HD LYS 84 -3.043 15.763 -12.085 647 2HD LYS 84 1HD LYS 84 -2.422 15.777 -10.435 648 1HE LYS 84 2HE LYS 84 -1.241 17.245 -12.789 649 2HE LYS 84 1HE LYS 84 -2.180 17.964 -11.482 650 1HZ LYS 84 1HZ LYS 84 0.130 18.312 -11.053 651 2HZ LYS 84 2HZ LYS 84 0.481 16.668 -11.256 652 3HZ LYS 84 3HZ LYS 84 -0.440 17.176 -9.928 653 H GLU 85 H GLU 85 -2.064 10.981 -13.209 654 HA GLU 85 HA GLU 85 -1.828 12.143 -15.891 655 1HB GLU 85 2HB GLU 85 0.220 11.252 -14.712 656 2HB GLU 85 1HB GLU 85 -0.480 9.645 -14.857 657 1HG GLU 85 2HG GLU 85 -0.389 9.744 -17.244 658 2HG GLU 85 1HG GLU 85 0.082 11.442 -17.203 659 H ASP 86 H ASP 86 -2.909 11.375 -17.577 660 HA ASP 86 HA ASP 86 -5.209 9.790 -17.074 661 1HB ASP 86 2HB ASP 86 -5.765 10.196 -19.396 662 2HB ASP 86 1HB ASP 86 -5.136 11.679 -18.685 663 H SER 87 H SER 87 -2.067 8.858 -17.768 664 HA SER 87 HA SER 87 -2.679 6.692 -19.560 665 1HB SER 87 2HB SER 87 -0.132 7.325 -18.054 666 2HB SER 87 1HB SER 87 -0.291 6.151 -19.362 667 HG SER 87 HG SER 87 -1.282 8.573 -20.087 668 H TYR 88 H TYR 88 -3.335 7.045 -16.384 669 HA TYR 88 HA TYR 88 -2.651 4.272 -15.703 670 1HB TYR 88 2HB TYR 88 -3.375 6.616 -13.942 671 2HB TYR 88 1HB TYR 88 -3.152 4.971 -13.347 672 HD1 TYR 88 HD1 TYR 88 -1.556 8.047 -13.844 673 HD2 TYR 88 HD2 TYR 88 -0.872 3.860 -14.108 674 HE1 TYR 88 HE1 TYR 88 0.867 8.437 -13.657 675 HE2 TYR 88 HE2 TYR 88 1.549 4.230 -13.919 676 HH TYR 88 HH TYR 88 3.157 6.094 -14.399 677 H GLN 89 H GLN 89 -5.261 6.199 -16.637 678 HA GLN 89 HA GLN 89 -7.330 4.995 -15.107 679 1HB GLN 89 2HB GLN 89 -7.259 6.756 -17.526 680 2HB GLN 89 1HB GLN 89 -8.767 5.980 -17.063 681 1HG GLN 89 2HG GLN 89 -8.646 8.229 -16.168 682 2HG GLN 89 1HG GLN 89 -8.648 7.039 -14.868 683 1HE2 GLN 89 1HE2 GLN 89 -7.715 8.466 -13.418 684 2HE2 GLN 89 2HE2 GLN 89 -6.047 8.921 -13.509 685 H ASP 90 H ASP 90 -5.457 3.622 -17.424 686 HA ASP 90 HA ASP 90 -7.449 2.054 -18.768 687 1HB ASP 90 2HB ASP 90 -5.299 2.463 -19.848 688 2HB ASP 90 1HB ASP 90 -4.456 1.671 -18.519 689 H VAL 91 H VAL 91 -5.137 1.499 -16.147 690 HA VAL 91 HA VAL 91 -6.424 -1.062 -15.561 691 HB VAL 91 HB VAL 91 -4.477 -1.343 -13.954 692 1HG1 VAL 91 1HG1 VAL 91 -2.944 -2.012 -15.729 693 2HG1 VAL 91 2HG1 VAL 91 -3.846 -1.042 -16.892 694 3HG1 VAL 91 3HG1 VAL 91 -4.604 -2.447 -16.140 695 1HG2 VAL 91 1HG2 VAL 91 -3.820 0.984 -13.755 696 2HG2 VAL 91 2HG2 VAL 91 -3.468 1.057 -15.482 697 3HG2 VAL 91 3HG2 VAL 91 -2.492 0.039 -14.425 698 H TYR 92 H TYR 92 -5.979 2.151 -14.282 699 HA TYR 92 HA TYR 92 -7.132 1.463 -11.719 700 1HB TYR 92 2HB TYR 92 -5.546 3.301 -11.759 701 2HB TYR 92 1HB TYR 92 -6.498 4.146 -12.977 702 HD1 TYR 92 HD1 TYR 92 -8.041 5.745 -12.304 703 HD2 TYR 92 HD2 TYR 92 -6.766 2.809 -9.501 704 HE1 TYR 92 HE1 TYR 92 -9.303 6.895 -10.537 705 HE2 TYR 92 HE2 TYR 92 -8.026 3.954 -7.727 706 HH TYR 92 HH TYR 92 -10.325 6.370 -8.372 707 H LEU 93 H LEU 93 -9.227 1.486 -11.235 708 HA LEU 93 HA LEU 93 -11.106 1.688 -13.364 709 1HB LEU 93 2HB LEU 93 -11.541 1.267 -10.405 710 2HB LEU 93 1HB LEU 93 -12.791 1.142 -11.629 711 HG LEU 93 HG LEU 93 -10.370 -0.644 -11.361 712 1HD1 LEU 93 1HD1 LEU 93 -13.311 -1.180 -10.970 713 2HD1 LEU 93 2HD1 LEU 93 -12.105 -1.050 -9.691 714 3HD1 LEU 93 3HD1 LEU 93 -12.017 -2.371 -10.856 715 1HD2 LEU 93 1HD2 LEU 93 -12.623 -0.710 -13.370 716 2HD2 LEU 93 2HD2 LEU 93 -11.356 -1.926 -13.201 717 3HD2 LEU 93 3HD2 LEU 93 -10.944 -0.289 -13.711 718 H GLY 94 H GLY 94 -11.041 3.779 -14.060 719 1HA GLY 94 2HA GLY 94 -11.461 6.099 -12.572 720 2HA GLY 94 1HA GLY 94 -11.940 5.888 -14.251 721 H LEU 95 H LEU 95 -13.229 7.132 -11.771 722 HA LEU 95 HA LEU 95 -15.614 5.441 -11.538 723 1HB LEU 95 2HB LEU 95 -14.399 6.150 -9.470 724 2HB LEU 95 1HB LEU 95 -14.793 7.813 -9.856 725 HG LEU 95 HG LEU 95 -17.203 7.255 -9.666 726 1HD1 LEU 95 1HD1 LEU 95 -16.168 4.586 -8.723 727 2HD1 LEU 95 2HD1 LEU 95 -17.107 4.894 -10.184 728 3HD1 LEU 95 3HD1 LEU 95 -17.836 5.139 -8.597 729 1HD2 LEU 95 1HD2 LEU 95 -17.226 7.065 -7.222 730 2HD2 LEU 95 2HD2 LEU 95 -16.016 8.221 -7.779 731 3HD2 LEU 95 3HD2 LEU 95 -15.523 6.613 -7.245 732 H GLU 96 H GLU 96 -14.501 8.223 -13.097 733 HA GLU 96 HA GLU 96 -17.143 9.470 -13.104 734 1HB GLU 96 2HB GLU 96 -15.616 11.203 -14.527 735 2HB GLU 96 1HB GLU 96 -15.865 11.282 -12.792 736 1HG GLU 96 2HG GLU 96 -13.524 11.564 -13.341 737 2HG GLU 96 1HG GLU 96 -13.771 10.078 -12.431 738 H HIS 97 H HIS 97 -18.185 7.990 -14.463 739 HA HIS 97 HA HIS 97 -17.362 7.505 -17.134 740 1HB HIS 97 2HB HIS 97 -19.078 6.149 -15.900 741 2HB HIS 97 1HB HIS 97 -20.195 7.500 -16.050 742 HD1 HIS 97 HD1 HIS 97 -18.183 5.209 -18.343 743 HD2 HIS 97 HD2 HIS 97 -21.728 7.394 -18.281 744 HE1 HIS 97 HE1 HIS 97 -19.376 4.640 -20.484 745 HE2 HIS 97 HE2 HIS 97 -21.572 5.867 -20.369 746 H HIS 98 H HIS 98 -17.367 8.843 -18.820 747 HA HIS 98 HA HIS 98 -18.109 11.593 -18.333 748 1HB HIS 98 2HB HIS 98 -16.740 10.224 -20.651 749 2HB HIS 98 1HB HIS 98 -17.081 11.951 -20.618 750 HD1 HIS 98 HD1 HIS 98 -15.212 13.335 -19.771 751 HD2 HIS 98 HD2 HIS 98 -15.086 9.464 -18.256 752 HE1 HIS 98 HE1 HIS 98 -13.146 13.232 -18.330 753 HE2 HIS 98 HE2 HIS 98 -13.248 10.961 -17.234 754 H HIS 99 H HIS 99 -20.413 10.243 -18.315 755 HA HIS 99 HA HIS 99 -22.533 10.246 -19.116 756 1HB HIS 99 2HB HIS 99 -22.127 12.643 -19.408 757 2HB HIS 99 1HB HIS 99 -21.436 12.352 -20.996 758 HD1 HIS 99 HD1 HIS 99 -23.088 13.651 -22.348 759 HD2 HIS 99 HD2 HIS 99 -24.911 10.872 -19.844 760 HE1 HIS 99 HE1 HIS 99 -25.511 13.599 -23.036 761 HE2 HIS 99 HE2 HIS 99 -26.578 11.849 -21.571 762 H HIS 100 H HIS 100 -20.976 10.944 -22.203 763 HA HIS 100 HA HIS 100 -20.738 8.386 -23.240 764 1HB HIS 100 2HB HIS 100 -23.273 8.426 -22.929 765 2HB HIS 100 1HB HIS 100 -23.320 9.660 -24.181 766 HD1 HIS 100 HD1 HIS 100 -24.224 8.548 -26.205 767 HD2 HIS 100 HD2 HIS 100 -21.442 6.163 -24.233 768 HE1 HIS 100 HE1 HIS 100 -23.943 6.498 -27.639 769 HE2 HIS 100 HE2 HIS 100 -22.096 5.184 -26.542 770 H HIS 101 H HIS 101 -19.621 11.069 -23.181 771 HA HIS 101 HA HIS 101 -19.378 11.594 -26.053 772 1HB HIS 101 2HB HIS 101 -21.137 13.102 -24.975 773 2HB HIS 101 1HB HIS 101 -19.822 13.810 -24.045 774 HD1 HIS 101 HD1 HIS 101 -18.019 15.203 -25.426 775 HD2 HIS 101 HD2 HIS 101 -21.395 14.001 -27.560 776 HE1 HIS 101 HE1 HIS 101 -18.066 16.629 -27.497 777 HE2 HIS 101 HE2 HIS 101 -20.070 15.842 -28.809 778 H HIS 102 HN HIS 102 -17.426 12.725 -26.595 779 HA HIS 102 HA HIS 102 -15.199 12.221 -24.914 780 1HB HIS 102 2HB HIS 102 -15.159 12.455 -27.434 781 2HB HIS 102 1HB HIS 102 -15.322 14.194 -27.202 782 HD1 HIS 102 HD1 HIS 102 -13.275 15.381 -25.907 783 HD2 HIS 102 HD2 HIS 102 -12.625 11.480 -27.208 784 HE1 HIS 102 HE1 HIS 102 -10.786 15.048 -25.845 785 HE2 HIS 102 HE2 HIS 102 -10.402 12.719 -26.727 Start of MODEL 13 1 1H MET 1 1H MET 1 24.441 5.121 -12.838 2 2H MET 1 2H MET 1 26.053 5.496 -12.481 3 3H MET 1 3H MET 1 24.795 6.387 -11.771 4 HA MET 1 HA MET 1 25.361 3.517 -11.313 5 1HB MET 1 2HB MET 1 25.771 5.952 -9.565 6 2HB MET 1 1HB MET 1 25.899 4.295 -8.995 7 1HG MET 1 2HG MET 1 27.744 3.905 -10.552 8 2HG MET 1 1HG MET 1 27.613 5.569 -11.115 9 1HE MET 1 1HE MET 1 30.235 5.918 -10.607 10 2HE MET 1 2HE MET 1 30.292 4.232 -10.090 11 3HE MET 1 3HE MET 1 30.971 5.492 -9.061 12 H SER 2 H SER 2 23.396 2.593 -11.236 13 HA SER 2 HA SER 2 21.059 3.942 -10.295 14 1HB SER 2 2HB SER 2 21.531 0.979 -10.707 15 2HB SER 2 1HB SER 2 19.964 1.769 -10.549 16 HG SER 2 HG SER 2 20.852 1.281 -12.755 17 H ASN 3 H ASN 3 20.275 4.073 -8.285 18 HA ASN 3 HA ASN 3 21.384 2.302 -6.225 19 1HB ASN 3 2HB ASN 3 21.612 4.206 -4.668 20 2HB ASN 3 1HB ASN 3 22.667 4.364 -6.065 21 1HD2 ASN 3 1HD2 ASN 3 22.202 5.936 -7.628 22 2HD2 ASN 3 2HD2 ASN 3 21.161 7.276 -7.277 23 H LEU 4 H LEU 4 18.795 4.308 -7.402 24 HA LEU 4 HA LEU 4 17.065 3.662 -5.170 25 1HB LEU 4 2HB LEU 4 16.482 5.069 -7.783 26 2HB LEU 4 1HB LEU 4 15.342 4.885 -6.463 27 HG LEU 4 HG LEU 4 17.936 6.426 -6.316 28 1HD1 LEU 4 1HD1 LEU 4 16.532 8.407 -6.281 29 2HD1 LEU 4 2HD1 LEU 4 15.088 7.408 -6.445 30 3HD1 LEU 4 3HD1 LEU 4 16.259 7.488 -7.760 31 1HD2 LEU 4 1HD2 LEU 4 15.690 6.083 -4.329 32 2HD2 LEU 4 2HD2 LEU 4 17.017 7.232 -4.167 33 3HD2 LEU 4 3HD2 LEU 4 17.345 5.499 -4.162 34 H GLU 5 H GLU 5 17.016 1.415 -5.277 35 HA GLU 5 HA GLU 5 15.810 0.232 -7.676 36 1HB GLU 5 2HB GLU 5 16.596 -1.923 -6.796 37 2HB GLU 5 1HB GLU 5 17.920 -0.778 -6.976 38 1HG GLU 5 2HG GLU 5 17.906 -0.331 -4.604 39 2HG GLU 5 1HG GLU 5 16.507 -1.382 -4.390 40 H ILE 6 H ILE 6 14.054 -1.205 -7.479 41 HA ILE 6 HA ILE 6 12.359 -0.641 -5.166 42 HB ILE 6 HB ILE 6 11.663 -1.980 -7.788 43 1HG1 ILE 6 2HG1 ILE 6 11.063 0.822 -6.806 44 2HG1 ILE 6 1HG1 ILE 6 12.247 0.406 -8.041 45 1HG2 ILE 6 1HG2 ILE 6 9.898 -1.044 -5.529 46 2HG2 ILE 6 2HG2 ILE 6 10.225 -2.719 -5.976 47 3HG2 ILE 6 3HG2 ILE 6 9.336 -1.669 -7.079 48 1HD1 ILE 6 1HD1 ILE 6 9.270 -0.003 -8.228 49 2HD1 ILE 6 2HD1 ILE 6 10.449 -0.451 -9.461 50 3HD1 ILE 6 3HD1 ILE 6 10.212 1.246 -9.044 51 H LYS 7 H LYS 7 12.704 -2.036 -3.533 52 HA LYS 7 HA LYS 7 13.308 -4.822 -4.102 53 1HB LYS 7 2HB LYS 7 13.035 -3.351 -1.472 54 2HB LYS 7 1HB LYS 7 13.514 -5.035 -1.636 55 1HG LYS 7 2HG LYS 7 15.489 -4.310 -2.933 56 2HG LYS 7 1HG LYS 7 15.020 -2.631 -2.651 57 1HD LYS 7 2HD LYS 7 15.195 -3.007 -0.228 58 2HD LYS 7 1HD LYS 7 15.699 -4.670 -0.531 59 1HE LYS 7 2HE LYS 7 17.173 -2.198 -1.446 60 2HE LYS 7 1HE LYS 7 17.605 -3.183 -0.051 61 1HZ LYS 7 1HZ LYS 7 17.630 -4.027 -2.902 62 2HZ LYS 7 2HZ LYS 7 17.906 -5.074 -1.593 63 3HZ LYS 7 3HZ LYS 7 18.973 -3.790 -1.895 64 H GLN 8 H GLN 8 11.931 -6.487 -3.819 65 HA GLN 8 HA GLN 8 9.119 -5.738 -3.540 66 1HB GLN 8 2HB GLN 8 8.610 -7.868 -4.625 67 2HB GLN 8 1HB GLN 8 9.717 -6.913 -5.595 68 1HG GLN 8 2HG GLN 8 10.602 -9.145 -3.785 69 2HG GLN 8 1HG GLN 8 10.198 -9.369 -5.486 70 1HE2 GLN 8 1HE2 GLN 8 11.562 -8.487 -7.062 71 2HE2 GLN 8 2HE2 GLN 8 13.184 -8.001 -6.703 72 H GLY 9 H GLY 9 7.766 -6.627 -2.073 73 1HA GLY 9 2HA GLY 9 8.795 -8.682 -0.259 74 2HA GLY 9 1HA GLY 9 8.347 -7.132 0.439 75 H GLU 10 H GLU 10 6.733 -8.049 1.688 76 HA GLU 10 HA GLU 10 4.730 -9.808 0.784 77 1HB GLU 10 2HB GLU 10 4.529 -7.813 3.043 78 2HB GLU 10 1HB GLU 10 3.614 -9.304 2.868 79 1HG GLU 10 2HG GLU 10 5.396 -10.630 3.462 80 2HG GLU 10 1HG GLU 10 6.591 -9.418 2.994 81 H ASN 11 H ASN 11 3.878 -9.011 -1.164 82 HA ASN 11 HA ASN 11 2.470 -7.867 -2.539 83 1HB ASN 11 2HB ASN 11 1.090 -7.351 0.100 84 2HB ASN 11 1HB ASN 11 0.397 -6.922 -1.461 85 1HD2 ASN 11 1HD2 ASN 11 1.558 -9.335 -2.727 86 2HD2 ASN 11 2HD2 ASN 11 0.580 -10.654 -2.195 87 H LYS 12 H LYS 12 4.794 -6.480 -1.450 88 HA LYS 12 HA LYS 12 3.865 -3.713 -1.742 89 1HB LYS 12 2HB LYS 12 5.249 -2.982 0.119 90 2HB LYS 12 1HB LYS 12 4.094 -4.189 0.667 91 1HG LYS 12 2HG LYS 12 5.823 -5.892 0.645 92 2HG LYS 12 1HG LYS 12 6.987 -4.722 0.025 93 1HD LYS 12 2HD LYS 12 7.305 -5.009 2.403 94 2HD LYS 12 1HD LYS 12 6.693 -3.387 2.077 95 1HE LYS 12 2HE LYS 12 4.453 -4.080 2.722 96 2HE LYS 12 1HE LYS 12 5.017 -5.730 2.977 97 1HZ LYS 12 1HZ LYS 12 6.017 -3.370 4.474 98 2HZ LYS 12 2HZ LYS 12 6.392 -4.995 4.778 99 3HZ LYS 12 3HZ LYS 12 4.814 -4.425 5.042 100 H PHE 13 H PHE 13 5.376 -2.261 -2.519 101 HA PHE 13 HA PHE 13 7.990 -3.351 -3.339 102 1HB PHE 13 2HB PHE 13 6.304 -1.270 -4.757 103 2HB PHE 13 1HB PHE 13 7.944 -1.718 -5.213 104 HD1 PHE 13 HD1 PHE 13 8.268 -4.331 -5.602 105 HD2 PHE 13 HD2 PHE 13 4.576 -2.239 -5.899 106 HE1 PHE 13 HE1 PHE 13 7.386 -6.106 -7.061 107 HE2 PHE 13 HE2 PHE 13 3.685 -4.009 -7.357 108 HZ PHE 13 HZ PHE 13 5.088 -5.945 -7.938 109 H TYR 14 H TYR 14 9.610 -2.391 -2.228 110 HA TYR 14 HA TYR 14 9.101 0.319 -1.212 111 1HB TYR 14 2HB TYR 14 10.242 -0.316 0.914 112 2HB TYR 14 1HB TYR 14 8.699 -1.115 0.655 113 HD1 TYR 14 HD1 TYR 14 8.700 -3.535 -0.091 114 HD2 TYR 14 HD2 TYR 14 12.218 -1.553 1.255 115 HE1 TYR 14 HE1 TYR 14 9.764 -5.712 0.321 116 HE2 TYR 14 HE2 TYR 14 13.293 -3.727 1.669 117 HH TYR 14 HH TYR 14 12.499 -6.118 2.172 118 H ILE 15 H ILE 15 10.645 1.745 -1.431 119 HA ILE 15 HA ILE 15 13.341 0.849 -2.213 120 HB ILE 15 HB ILE 15 12.063 3.566 -2.622 121 1HG1 ILE 15 2HG1 ILE 15 12.631 1.383 -4.640 122 2HG1 ILE 15 1HG1 ILE 15 11.036 1.826 -4.041 123 1HG2 ILE 15 1HG2 ILE 15 14.680 2.467 -3.640 124 2HG2 ILE 15 2HG2 ILE 15 14.493 3.660 -2.356 125 3HG2 ILE 15 3HG2 ILE 15 14.011 4.057 -4.007 126 1HD1 ILE 15 1HD1 ILE 15 11.290 4.048 -5.031 127 2HD1 ILE 15 2HD1 ILE 15 11.437 2.768 -6.236 128 3HD1 ILE 15 3HD1 ILE 15 12.880 3.587 -5.641 129 H GLY 16 H GLY 16 14.923 1.164 -0.737 130 1HA GLY 16 2HA GLY 16 15.115 3.444 0.907 131 2HA GLY 16 1HA GLY 16 14.401 2.129 1.832 132 H ASP 17 H ASP 17 16.676 3.088 2.750 133 HA ASP 17 HA ASP 17 18.992 1.741 1.719 134 1HB ASP 17 2HB ASP 17 19.187 3.889 2.873 135 2HB ASP 17 1HB ASP 17 18.510 3.186 4.337 136 H ASP 18 H ASP 18 16.509 1.113 3.987 137 HA ASP 18 HA ASP 18 17.440 -1.609 4.395 138 1HB ASP 18 2HB ASP 18 18.385 -0.251 6.292 139 2HB ASP 18 1HB ASP 18 16.747 0.219 6.719 140 H GLU 19 H GLU 19 15.600 -2.945 5.288 141 HA GLU 19 HA GLU 19 13.138 -2.305 4.092 142 1HB GLU 19 2HB GLU 19 13.626 -4.168 6.421 143 2HB GLU 19 1HB GLU 19 12.176 -4.129 5.431 144 1HG GLU 19 2HG GLU 19 13.681 -4.657 3.464 145 2HG GLU 19 1HG GLU 19 14.936 -5.001 4.655 146 H ASN 20 H ASN 20 14.423 -1.669 7.282 147 HA ASN 20 HA ASN 20 11.925 -0.626 8.307 148 1HB ASN 20 2HB ASN 20 14.737 -0.402 9.415 149 2HB ASN 20 1HB ASN 20 13.260 0.035 10.269 150 1HD2 ASN 20 1HD2 ASN 20 15.262 -2.546 9.126 151 2HD2 ASN 20 2HD2 ASN 20 14.480 -3.814 10.014 152 H ASN 21 H ASN 21 14.564 0.514 6.478 153 HA ASN 21 HA ASN 21 13.936 3.322 7.078 154 1HB ASN 21 2HB ASN 21 16.401 2.036 5.890 155 2HB ASN 21 1HB ASN 21 16.150 3.778 5.932 156 1HD2 ASN 21 1HD2 ASN 21 17.932 4.140 7.239 157 2HD2 ASN 21 2HD2 ASN 21 17.956 3.693 8.911 158 H ALA 22 H ALA 22 12.288 1.705 5.407 159 HA ALA 22 HA ALA 22 12.764 2.302 2.666 160 1HB ALA 22 1HB ALA 22 10.187 1.563 4.050 161 2HB ALA 22 2HB ALA 22 11.342 0.432 3.344 162 3HB ALA 22 3HB ALA 22 10.466 1.558 2.308 163 H LEU 23 H LEU 23 12.717 4.267 1.833 164 HA LEU 23 HA LEU 23 11.314 6.390 3.256 165 1HB LEU 23 2HB LEU 23 13.208 6.537 0.909 166 2HB LEU 23 1HB LEU 23 12.552 7.910 1.780 167 HG LEU 23 HG LEU 23 14.386 5.817 2.953 168 1HD1 LEU 23 1HD1 LEU 23 16.040 7.615 3.005 169 2HD1 LEU 23 2HD1 LEU 23 14.904 8.682 2.175 170 3HD1 LEU 23 3HD1 LEU 23 15.530 7.250 1.357 171 1HD2 LEU 23 1HD2 LEU 23 13.236 8.345 4.129 172 2HD2 LEU 23 2HD2 LEU 23 14.497 7.363 4.871 173 3HD2 LEU 23 3HD2 LEU 23 12.884 6.691 4.633 174 H ALA 24 H ALA 24 10.649 4.268 0.819 175 HA ALA 24 HA ALA 24 8.279 5.695 0.060 176 1HB ALA 24 1HB ALA 24 10.358 5.159 -2.063 177 2HB ALA 24 2HB ALA 24 9.905 6.747 -1.446 178 3HB ALA 24 3HB ALA 24 8.730 5.781 -2.336 179 H GLU 25 H GLU 25 6.898 4.047 0.387 180 HA GLU 25 HA GLU 25 7.377 1.635 -1.187 181 1HB GLU 25 2HB GLU 25 6.378 0.270 0.700 182 2HB GLU 25 1HB GLU 25 8.019 0.842 0.921 183 1HG GLU 25 2HG GLU 25 6.996 1.143 2.988 184 2HG GLU 25 1HG GLU 25 7.011 2.745 2.265 185 H ILE 26 H ILE 26 5.550 0.495 -1.828 186 HA ILE 26 HA ILE 26 2.966 1.787 -1.342 187 HB ILE 26 HB ILE 26 3.716 2.548 -3.541 188 1HG1 ILE 26 2HG1 ILE 26 1.559 0.453 -3.850 189 2HG1 ILE 26 1HG1 ILE 26 1.306 2.037 -3.122 190 1HG2 ILE 26 1HG2 ILE 26 5.244 0.747 -4.095 191 2HG2 ILE 26 2HG2 ILE 26 4.063 0.973 -5.385 192 3HG2 ILE 26 3HG2 ILE 26 3.892 -0.374 -4.261 193 1HD1 ILE 26 1HD1 ILE 26 1.941 3.095 -5.238 194 2HD1 ILE 26 2HD1 ILE 26 0.555 2.019 -5.419 195 3HD1 ILE 26 3HD1 ILE 26 2.152 1.501 -5.961 196 H THR 27 H THR 27 1.365 0.389 -0.890 197 HA THR 27 HA THR 27 1.998 -2.476 -1.132 198 HB THR 27 HB THR 27 0.732 -2.834 0.968 199 HG1 THR 27 HG1 THR 27 0.793 0.014 1.160 200 1HG2 THR 27 1HG2 THR 27 2.417 -1.925 2.511 201 2HG2 THR 27 2HG2 THR 27 3.012 -0.859 1.238 202 3HG2 THR 27 3HG2 THR 27 3.173 -2.607 1.073 203 H TYR 28 H TYR 28 0.412 -3.795 -1.889 204 HA TYR 28 HA TYR 28 -2.279 -2.692 -2.164 205 1HB TYR 28 2HB TYR 28 -2.479 -3.435 -4.486 206 2HB TYR 28 1HB TYR 28 -1.189 -2.254 -4.321 207 HD1 TYR 28 HD1 TYR 28 1.210 -3.074 -4.329 208 HD2 TYR 28 HD2 TYR 28 -2.070 -5.577 -5.379 209 HE1 TYR 28 HE1 TYR 28 2.751 -4.615 -5.463 210 HE2 TYR 28 HE2 TYR 28 -0.534 -7.126 -6.512 211 HH TYR 28 HH TYR 28 2.842 -6.962 -6.145 212 H ARG 29 H ARG 29 -3.785 -4.091 -1.576 213 HA ARG 29 HA ARG 29 -2.970 -6.908 -1.327 214 1HB ARG 29 2HB ARG 29 -4.812 -5.265 0.405 215 2HB ARG 29 1HB ARG 29 -4.751 -7.024 0.475 216 1HG ARG 29 2HG ARG 29 -2.303 -6.841 0.943 217 2HG ARG 29 1HG ARG 29 -2.519 -5.097 1.073 218 1HD ARG 29 2HD ARG 29 -4.084 -7.064 2.719 219 2HD ARG 29 1HD ARG 29 -2.534 -6.408 3.239 220 HE ARG 29 HE ARG 29 -4.516 -4.424 2.527 221 1HH1 ARG 29 2HH1 ARG 29 -3.173 -6.404 5.074 222 2HH1 ARG 29 1HH1 ARG 29 -3.663 -5.332 6.351 223 1HH2 ARG 29 1HH2 ARG 29 -5.208 -3.022 4.187 224 2HH2 ARG 29 2HH2 ARG 29 -4.858 -3.423 5.843 225 H PHE 30 H PHE 30 -4.412 -8.516 -1.872 226 HA PHE 30 HA PHE 30 -6.125 -7.781 -4.071 227 1HB PHE 30 2HB PHE 30 -5.551 -10.499 -2.866 228 2HB PHE 30 1HB PHE 30 -6.367 -10.204 -4.397 229 HD1 PHE 30 HD1 PHE 30 -3.147 -10.074 -2.632 230 HD2 PHE 30 HD2 PHE 30 -5.139 -9.635 -6.367 231 HE1 PHE 30 HE1 PHE 30 -0.978 -10.111 -3.789 232 HE2 PHE 30 HE2 PHE 30 -2.973 -9.672 -7.530 233 HZ PHE 30 HZ PHE 30 -0.890 -9.910 -6.247 234 H VAL 31 H VAL 31 -8.043 -6.901 -3.486 235 HA VAL 31 HA VAL 31 -9.472 -7.936 -1.177 236 HB VAL 31 HB VAL 31 -11.165 -6.192 -1.684 237 1HG1 VAL 31 1HG1 VAL 31 -9.752 -4.274 -1.115 238 2HG1 VAL 31 2HG1 VAL 31 -8.319 -5.201 -1.555 239 3HG1 VAL 31 3HG1 VAL 31 -9.310 -5.707 -0.187 240 1HG2 VAL 31 1HG2 VAL 31 -9.278 -5.405 -3.906 241 2HG2 VAL 31 2HG2 VAL 31 -10.709 -4.510 -3.393 242 3HG2 VAL 31 3HG2 VAL 31 -10.882 -6.109 -4.115 243 H ASP 32 H ASP 32 -9.539 -8.182 -4.622 244 HA ASP 32 HA ASP 32 -11.670 -10.193 -4.377 245 1HB ASP 32 2HB ASP 32 -12.617 -8.094 -5.312 246 2HB ASP 32 1HB ASP 32 -11.431 -8.156 -6.610 247 H ASN 33 H ASN 33 -8.613 -9.797 -4.787 248 HA ASN 33 HA ASN 33 -6.891 -10.924 -5.716 249 1HB ASN 33 2HB ASN 33 -9.082 -12.679 -6.832 250 2HB ASN 33 1HB ASN 33 -7.372 -12.973 -7.131 251 1HD2 ASN 33 1HD2 ASN 33 -7.469 -14.963 -6.070 252 2HD2 ASN 33 2HD2 ASN 33 -7.559 -15.073 -4.342 253 H ASN 34 H ASN 34 -9.476 -10.724 -8.187 254 HA ASN 34 HA ASN 34 -7.619 -9.859 -10.200 255 1HB ASN 34 2HB ASN 34 -9.647 -11.065 -10.846 256 2HB ASN 34 1HB ASN 34 -10.647 -9.795 -10.148 257 1HD2 ASN 34 1HD2 ASN 34 -8.511 -10.649 -12.774 258 2HD2 ASN 34 2HD2 ASN 34 -8.937 -9.323 -13.804 259 H GLU 35 H GLU 35 -9.909 -8.321 -8.012 260 HA GLU 35 HA GLU 35 -9.044 -5.684 -8.908 261 1HB GLU 35 2HB GLU 35 -11.081 -6.475 -6.809 262 2HB GLU 35 1HB GLU 35 -10.739 -4.826 -7.322 263 1HG GLU 35 2HG GLU 35 -11.477 -5.403 -9.596 264 2HG GLU 35 1HG GLU 35 -11.860 -7.031 -9.043 265 H ILE 36 H ILE 36 -7.402 -4.681 -7.996 266 HA ILE 36 HA ILE 36 -6.446 -5.661 -5.385 267 HB ILE 36 HB ILE 36 -4.219 -4.800 -6.030 268 1HG1 ILE 36 2HG1 ILE 36 -5.462 -4.408 -8.760 269 2HG1 ILE 36 1HG1 ILE 36 -5.004 -3.109 -7.664 270 1HG2 ILE 36 1HG2 ILE 36 -5.458 -6.821 -7.886 271 2HG2 ILE 36 2HG2 ILE 36 -4.690 -7.134 -6.329 272 3HG2 ILE 36 3HG2 ILE 36 -3.725 -6.570 -7.694 273 1HD1 ILE 36 1HD1 ILE 36 -3.145 -5.100 -8.939 274 2HD1 ILE 36 2HD1 ILE 36 -2.670 -3.836 -7.804 275 3HD1 ILE 36 3HD1 ILE 36 -3.333 -3.403 -9.380 276 H ASN 37 H ASN 37 -6.028 -4.238 -3.767 277 HA ASN 37 HA ASN 37 -6.837 -1.449 -4.262 278 1HB ASN 37 2HB ASN 37 -8.414 -2.615 -2.810 279 2HB ASN 37 1HB ASN 37 -7.102 -3.107 -1.744 280 1HD2 ASN 37 1HD2 ASN 37 -7.833 -2.092 0.066 281 2HD2 ASN 37 2HD2 ASN 37 -7.937 -0.368 0.220 282 H ILE 38 H ILE 38 -5.189 -0.088 -4.207 283 HA ILE 38 HA ILE 38 -2.729 -0.603 -2.843 284 HB ILE 38 HB ILE 38 -3.860 1.978 -3.947 285 1HG1 ILE 38 2HG1 ILE 38 -1.729 0.135 -5.049 286 2HG1 ILE 38 1HG1 ILE 38 -3.405 0.163 -5.592 287 1HG2 ILE 38 1HG2 ILE 38 -1.072 1.367 -2.969 288 2HG2 ILE 38 2HG2 ILE 38 -2.234 2.449 -2.199 289 3HG2 ILE 38 3HG2 ILE 38 -1.573 2.850 -3.784 290 1HD1 ILE 38 1HD1 ILE 38 -3.109 2.498 -6.298 291 2HD1 ILE 38 2HD1 ILE 38 -2.011 1.389 -7.121 292 3HD1 ILE 38 3HD1 ILE 38 -1.417 2.407 -5.810 293 H ASP 39 H ASP 39 -2.754 -0.803 -0.717 294 HA ASP 39 HA ASP 39 -4.896 0.363 0.826 295 1HB ASP 39 2HB ASP 39 -3.958 -2.019 1.045 296 2HB ASP 39 1HB ASP 39 -2.616 -1.282 1.915 297 H HIS 40 H HIS 40 -1.347 0.319 1.173 298 HA HIS 40 HA HIS 40 -1.521 3.005 2.376 299 1HB HIS 40 2HB HIS 40 -1.102 1.473 4.192 300 2HB HIS 40 1HB HIS 40 0.156 0.646 3.282 301 HD1 HIS 40 HD1 HIS 40 -0.503 4.045 4.849 302 HD2 HIS 40 HD2 HIS 40 2.665 1.580 3.757 303 HE1 HIS 40 HE1 HIS 40 1.575 5.190 5.691 304 HE2 HIS 40 HE2 HIS 40 3.477 3.787 4.817 305 H THR 41 H THR 41 0.019 4.463 1.739 306 HA THR 41 HA THR 41 2.298 3.553 0.169 307 HB THR 41 HB THR 41 0.394 5.641 -0.913 308 HG1 THR 41 HG1 THR 41 0.436 2.901 -1.128 309 1HG2 THR 41 1HG2 THR 41 1.741 5.450 -2.957 310 2HG2 THR 41 2HG2 THR 41 2.803 4.294 -2.152 311 3HG2 THR 41 3HG2 THR 41 2.729 5.964 -1.590 312 H GLY 42 H GLY 42 3.806 4.352 1.543 313 1HA GLY 42 2HA GLY 42 3.640 7.234 2.168 314 2HA GLY 42 1HA GLY 42 4.554 6.058 3.103 315 H VAL 43 H VAL 43 4.710 8.375 0.676 316 HA VAL 43 HA VAL 43 7.309 7.341 -0.260 317 HB VAL 43 HB VAL 43 5.216 8.759 -1.928 318 1HG1 VAL 43 1HG1 VAL 43 6.737 8.461 -3.801 319 2HG1 VAL 43 2HG1 VAL 43 7.941 7.751 -2.726 320 3HG1 VAL 43 3HG1 VAL 43 7.481 9.444 -2.538 321 1HG2 VAL 43 1HG2 VAL 43 4.679 6.418 -1.522 322 2HG2 VAL 43 2HG2 VAL 43 6.284 5.941 -2.075 323 3HG2 VAL 43 3HG2 VAL 43 5.142 6.669 -3.206 324 H SER 44 H SER 44 8.943 8.702 0.114 325 HA SER 44 HA SER 44 8.623 11.312 1.126 326 1HB SER 44 2HB SER 44 11.138 11.448 0.507 327 2HB SER 44 1HB SER 44 10.635 10.252 1.703 328 HG SER 44 HG SER 44 10.909 8.654 0.264 329 H ASP 45 H ASP 45 8.582 13.278 0.159 330 HA ASP 45 HA ASP 45 7.989 13.244 -2.690 331 1HB ASP 45 2HB ASP 45 6.662 14.436 -0.745 332 2HB ASP 45 1HB ASP 45 7.845 15.714 -0.994 333 H GLU 46 H GLU 46 10.755 12.953 -1.700 334 HA GLU 46 HA GLU 46 12.307 15.241 -1.893 335 1HB GLU 46 2HB GLU 46 13.081 12.509 -2.930 336 2HB GLU 46 1HB GLU 46 14.177 13.791 -2.434 337 1HG GLU 46 2HG GLU 46 12.351 12.157 -0.699 338 2HG GLU 46 1HG GLU 46 14.113 12.177 -0.702 339 H LEU 47 H LEU 47 11.850 12.885 -4.530 340 HA LEU 47 HA LEU 47 12.415 14.923 -6.504 341 1HB LEU 47 2HB LEU 47 11.439 12.087 -6.878 342 2HB LEU 47 1HB LEU 47 11.998 13.154 -8.151 343 HG LEU 47 HG LEU 47 13.692 12.079 -5.893 344 1HD1 LEU 47 1HD1 LEU 47 13.647 11.396 -8.831 345 2HD1 LEU 47 2HD1 LEU 47 13.097 10.359 -7.514 346 3HD1 LEU 47 3HD1 LEU 47 14.803 10.785 -7.646 347 1HD2 LEU 47 1HD2 LEU 47 14.451 13.760 -8.283 348 2HD2 LEU 47 2HD2 LEU 47 15.568 13.072 -7.105 349 3HD2 LEU 47 3HD2 LEU 47 14.409 14.304 -6.606 350 H GLY 48 H GLY 48 9.686 13.173 -5.198 351 1HA GLY 48 2HA GLY 48 7.435 13.529 -5.263 352 2HA GLY 48 1HA GLY 48 7.870 15.225 -5.376 353 H GLY 49 H GLY 49 7.474 16.300 -7.182 354 1HA GLY 49 2HA GLY 49 5.684 15.274 -9.082 355 2HA GLY 49 1HA GLY 49 6.564 16.786 -9.225 356 H GLN 50 H GLN 50 9.160 15.263 -9.032 357 HA GLN 50 HA GLN 50 9.592 14.841 -11.794 358 1HB GLN 50 2HB GLN 50 11.200 14.085 -9.357 359 2HB GLN 50 1HB GLN 50 11.758 13.782 -10.998 360 1HG GLN 50 2HG GLN 50 11.748 16.135 -11.489 361 2HG GLN 50 1HG GLN 50 11.029 16.497 -9.920 362 1HE2 GLN 50 1HE2 GLN 50 13.903 15.476 -11.596 363 2HE2 GLN 50 2HE2 GLN 50 15.005 15.803 -10.301 364 H GLY 51 H GLY 51 8.570 12.746 -9.207 365 1HA GLY 51 2HA GLY 51 7.063 10.988 -9.931 366 2HA GLY 51 1HA GLY 51 8.160 10.673 -11.262 367 H VAL 52 H VAL 52 8.187 10.700 -7.669 368 HA VAL 52 HA VAL 52 9.940 8.378 -7.654 369 HB VAL 52 HB VAL 52 8.382 9.516 -5.316 370 1HG1 VAL 52 1HG1 VAL 52 9.199 7.260 -4.957 371 2HG1 VAL 52 2HG1 VAL 52 10.113 8.401 -3.971 372 3HG1 VAL 52 3HG1 VAL 52 10.821 7.746 -5.448 373 1HG2 VAL 52 1HG2 VAL 52 10.439 10.705 -4.710 374 2HG2 VAL 52 2HG2 VAL 52 9.786 11.262 -6.251 375 3HG2 VAL 52 3HG2 VAL 52 11.179 10.180 -6.222 376 H GLY 53 H GLY 53 6.577 9.150 -6.851 377 1HA GLY 53 2HA GLY 53 5.667 6.509 -6.484 378 2HA GLY 53 1HA GLY 53 4.669 7.886 -6.940 379 H LYS 54 H LYS 54 6.384 8.378 -9.306 380 HA LYS 54 HA LYS 54 4.993 6.974 -11.281 381 1HB LYS 54 2HB LYS 54 6.169 9.081 -11.713 382 2HB LYS 54 1HB LYS 54 7.714 8.299 -11.421 383 1HG LYS 54 2HG LYS 54 7.466 8.517 -13.761 384 2HG LYS 54 1HG LYS 54 7.223 6.812 -13.383 385 1HD LYS 54 2HD LYS 54 5.558 7.467 -14.964 386 2HD LYS 54 1HD LYS 54 4.764 7.238 -13.403 387 1HE LYS 54 2HE LYS 54 4.896 9.690 -13.039 388 2HE LYS 54 1HE LYS 54 5.562 9.861 -14.663 389 1HZ LYS 54 1HZ LYS 54 3.532 8.922 -15.565 390 2HZ LYS 54 2HZ LYS 54 3.170 10.276 -14.623 391 3HZ LYS 54 3HZ LYS 54 2.900 8.719 -14.009 392 H LYS 55 H LYS 55 8.022 6.303 -9.640 393 HA LYS 55 HA LYS 55 8.848 4.153 -11.312 394 1HB LYS 55 2HB LYS 55 10.217 5.618 -9.652 395 2HB LYS 55 1HB LYS 55 9.650 4.490 -8.431 396 1HG LYS 55 2HG LYS 55 11.792 3.756 -9.086 397 2HG LYS 55 1HG LYS 55 10.636 2.647 -9.830 398 1HD LYS 55 2HD LYS 55 10.837 3.797 -11.945 399 2HD LYS 55 1HD LYS 55 11.881 5.019 -11.216 400 1HE LYS 55 2HE LYS 55 13.575 3.332 -10.770 401 2HE LYS 55 1HE LYS 55 12.529 2.077 -11.433 402 1HZ LYS 55 1HZ LYS 55 13.695 4.368 -12.928 403 2HZ LYS 55 2HZ LYS 55 12.615 3.238 -13.576 404 3HZ LYS 55 3HZ LYS 55 14.152 2.738 -13.059 405 H LEU 56 H LEU 56 7.536 4.266 -8.012 406 HA LEU 56 HA LEU 56 7.276 1.496 -7.653 407 1HB LEU 56 2HB LEU 56 5.764 3.767 -6.364 408 2HB LEU 56 1HB LEU 56 5.715 2.105 -5.811 409 HG LEU 56 HG LEU 56 8.195 3.825 -5.885 410 1HD1 LEU 56 1HD1 LEU 56 6.561 4.593 -4.232 411 2HD1 LEU 56 2HD1 LEU 56 7.986 3.892 -3.466 412 3HD1 LEU 56 3HD1 LEU 56 6.487 2.966 -3.556 413 1HD2 LEU 56 1HD2 LEU 56 8.669 1.445 -6.154 414 2HD2 LEU 56 2HD2 LEU 56 7.704 1.084 -4.724 415 3HD2 LEU 56 3HD2 LEU 56 9.193 2.017 -4.570 416 H LEU 57 H LEU 57 4.896 3.916 -8.703 417 HA LEU 57 HA LEU 57 2.754 2.038 -8.782 418 1HB LEU 57 2HB LEU 57 2.493 4.489 -8.413 419 2HB LEU 57 1HB LEU 57 2.918 4.750 -10.091 420 HG LEU 57 HG LEU 57 0.913 3.575 -10.818 421 1HD1 LEU 57 1HD1 LEU 57 -0.729 2.764 -9.242 422 2HD1 LEU 57 2HD1 LEU 57 0.277 3.271 -7.885 423 3HD1 LEU 57 3HD1 LEU 57 0.816 1.967 -8.945 424 1HD2 LEU 57 1HD2 LEU 57 0.359 5.644 -8.695 425 2HD2 LEU 57 2HD2 LEU 57 -0.756 5.158 -9.973 426 3HD2 LEU 57 3HD2 LEU 57 0.760 5.964 -10.383 427 H LYS 58 H LYS 58 5.186 3.057 -11.069 428 HA LYS 58 HA LYS 58 3.981 2.235 -13.458 429 1HB LYS 58 2HB LYS 58 6.187 3.413 -13.322 430 2HB LYS 58 1HB LYS 58 6.905 1.918 -12.741 431 1HG LYS 58 2HG LYS 58 6.192 0.827 -14.869 432 2HG LYS 58 1HG LYS 58 5.669 2.411 -15.441 433 1HD LYS 58 2HD LYS 58 7.839 2.059 -16.326 434 2HD LYS 58 1HD LYS 58 8.019 3.219 -15.012 435 1HE LYS 58 2HE LYS 58 9.793 1.694 -14.760 436 2HE LYS 58 1HE LYS 58 8.607 1.247 -13.535 437 1HZ LYS 58 1HZ LYS 58 7.857 -0.560 -14.921 438 2HZ LYS 58 2HZ LYS 58 9.538 -0.670 -14.740 439 3HZ LYS 58 3HZ LYS 58 8.886 -0.079 -16.182 440 H ALA 59 H ALA 59 6.033 0.429 -11.188 441 HA ALA 59 HA ALA 59 5.860 -2.057 -12.497 442 1HB ALA 59 1HB ALA 59 7.526 -1.625 -10.780 443 2HB ALA 59 2HB ALA 59 6.553 -3.030 -10.340 444 3HB ALA 59 3HB ALA 59 6.262 -1.474 -9.561 445 H VAL 60 H VAL 60 3.736 -0.517 -10.137 446 HA VAL 60 HA VAL 60 2.080 -2.753 -9.658 447 HB VAL 60 HB VAL 60 1.338 0.176 -9.520 448 1HG1 VAL 60 1HG1 VAL 60 -0.618 -1.299 -9.601 449 2HG1 VAL 60 2HG1 VAL 60 -0.445 -0.543 -8.019 450 3HG1 VAL 60 3HG1 VAL 60 0.026 -2.227 -8.247 451 1HG2 VAL 60 1HG2 VAL 60 2.339 -1.689 -7.371 452 2HG2 VAL 60 2HG2 VAL 60 1.813 -0.022 -7.130 453 3HG2 VAL 60 3HG2 VAL 60 3.247 -0.364 -8.098 454 H VAL 61 H VAL 61 1.733 -0.027 -11.940 455 HA VAL 61 HA VAL 61 -0.670 -0.937 -13.115 456 HB VAL 61 HB VAL 61 1.482 0.829 -14.305 457 1HG1 VAL 61 1HG1 VAL 61 -1.363 0.372 -15.206 458 2HG1 VAL 61 2HG1 VAL 61 0.099 -0.108 -16.068 459 3HG1 VAL 61 3HG1 VAL 61 -0.275 1.602 -15.848 460 1HG2 VAL 61 1HG2 VAL 61 -0.047 2.662 -13.682 461 2HG2 VAL 61 2HG2 VAL 61 0.550 1.767 -12.283 462 3HG2 VAL 61 3HG2 VAL 61 -1.089 1.491 -12.877 463 H GLU 62 H GLU 62 2.725 -1.430 -13.986 464 HA GLU 62 HA GLU 62 2.297 -2.840 -16.369 465 1HB GLU 62 2HB GLU 62 4.560 -2.969 -14.379 466 2HB GLU 62 1HB GLU 62 4.599 -3.767 -15.940 467 1HG GLU 62 2HG GLU 62 4.289 -1.561 -17.025 468 2HG GLU 62 1HG GLU 62 4.390 -0.812 -15.432 469 H HIS 63 H HIS 63 2.690 -4.031 -13.035 470 HA HIS 63 HA HIS 63 2.417 -6.771 -13.764 471 1HB HIS 63 2HB HIS 63 3.514 -5.941 -11.655 472 2HB HIS 63 1HB HIS 63 1.909 -5.562 -11.038 473 HD1 HIS 63 HD1 HIS 63 3.434 -8.658 -12.673 474 HD2 HIS 63 HD2 HIS 63 1.102 -7.551 -9.405 475 HE1 HIS 63 HE1 HIS 63 2.932 -10.794 -11.435 476 HE2 HIS 63 HE2 HIS 63 1.338 -10.124 -9.601 477 H ALA 64 H ALA 64 0.174 -4.252 -12.807 478 HA ALA 64 HA ALA 64 -2.105 -5.830 -12.400 479 1HB ALA 64 1HB ALA 64 -1.959 -3.048 -13.543 480 2HB ALA 64 2HB ALA 64 -2.011 -3.453 -11.827 481 3HB ALA 64 3HB ALA 64 -3.392 -3.816 -12.864 482 H ARG 65 H ARG 65 -0.848 -4.292 -15.346 483 HA ARG 65 HA ARG 65 -2.845 -5.193 -17.092 484 1HB ARG 65 2HB ARG 65 0.025 -4.412 -17.522 485 2HB ARG 65 1HB ARG 65 -0.987 -4.954 -18.855 486 1HG ARG 65 2HG ARG 65 -2.556 -3.139 -18.402 487 2HG ARG 65 1HG ARG 65 -1.533 -2.588 -17.071 488 1HD ARG 65 2HD ARG 65 0.257 -2.086 -18.567 489 2HD ARG 65 1HD ARG 65 -0.582 -2.847 -19.916 490 HE ARG 65 HE ARG 65 -2.255 -0.838 -19.031 491 1HH1 ARG 65 2HH1 ARG 65 1.001 -1.062 -20.333 492 2HH1 ARG 65 1HH1 ARG 65 0.930 0.508 -21.087 493 1HH2 ARG 65 1HH2 ARG 65 -2.331 1.196 -20.025 494 2HH2 ARG 65 2HH2 ARG 65 -0.957 1.795 -20.904 495 H GLU 66 H GLU 66 0.114 -6.758 -15.964 496 HA GLU 66 HA GLU 66 0.189 -8.914 -17.737 497 1HB GLU 66 2HB GLU 66 0.962 -8.876 -14.813 498 2HB GLU 66 1HB GLU 66 1.415 -10.124 -15.961 499 1HG GLU 66 2HG GLU 66 2.625 -8.401 -17.271 500 2HG GLU 66 1HG GLU 66 2.269 -7.240 -15.990 501 H ASN 67 H ASN 67 -1.696 -8.425 -14.800 502 HA ASN 67 HA ASN 67 -2.821 -11.130 -15.137 503 1HB ASN 67 2HB ASN 67 -2.568 -9.412 -12.660 504 2HB ASN 67 1HB ASN 67 -3.415 -10.954 -12.712 505 1HD2 ASN 67 1HD2 ASN 67 -0.306 -9.380 -12.941 506 2HD2 ASN 67 2HD2 ASN 67 0.651 -10.808 -12.699 507 H ASN 68 H ASN 68 -3.611 -8.254 -16.136 508 HA ASN 68 HA ASN 68 -5.499 -7.057 -16.552 509 1HB ASN 68 2HB ASN 68 -6.666 -9.822 -16.242 510 2HB ASN 68 1HB ASN 68 -7.641 -8.434 -16.709 511 1HD2 ASN 68 1HD2 ASN 68 -5.219 -10.700 -17.689 512 2HD2 ASN 68 2HD2 ASN 68 -5.189 -10.257 -19.366 513 H LEU 69 H LEU 69 -4.616 -6.750 -14.017 514 HA LEU 69 HA LEU 69 -6.739 -7.197 -12.107 515 1HB LEU 69 2HB LEU 69 -4.129 -5.707 -11.813 516 2HB LEU 69 1HB LEU 69 -5.209 -6.151 -10.505 517 HG LEU 69 HG LEU 69 -3.730 -8.107 -12.270 518 1HD1 LEU 69 1HD1 LEU 69 -2.349 -8.531 -10.305 519 2HD1 LEU 69 2HD1 LEU 69 -3.203 -7.266 -9.423 520 3HD1 LEU 69 3HD1 LEU 69 -2.213 -6.852 -10.824 521 1HD2 LEU 69 1HD2 LEU 69 -4.454 -9.776 -10.635 522 2HD2 LEU 69 2HD2 LEU 69 -5.833 -9.003 -11.418 523 3HD2 LEU 69 3HD2 LEU 69 -5.375 -8.539 -9.778 524 H LYS 70 H LYS 70 -8.041 -5.693 -11.202 525 HA LYS 70 HA LYS 70 -8.229 -3.104 -12.536 526 1HB LYS 70 2HB LYS 70 -10.014 -4.288 -10.394 527 2HB LYS 70 1HB LYS 70 -10.357 -2.871 -11.378 528 1HG LYS 70 2HG LYS 70 -10.083 -5.690 -12.403 529 2HG LYS 70 1HG LYS 70 -11.601 -4.833 -12.128 530 1HD LYS 70 2HD LYS 70 -11.003 -3.187 -13.809 531 2HD LYS 70 1HD LYS 70 -9.433 -3.961 -14.041 532 1HE LYS 70 2HE LYS 70 -10.959 -4.605 -15.809 533 2HE LYS 70 1HE LYS 70 -10.560 -5.998 -14.807 534 1HZ LYS 70 1HZ LYS 70 -12.918 -5.918 -15.334 535 2HZ LYS 70 2HZ LYS 70 -13.060 -4.396 -14.616 536 3HZ LYS 70 3HZ LYS 70 -12.678 -5.752 -13.667 537 H ILE 71 H ILE 71 -7.293 -1.335 -11.679 538 HA ILE 71 HA ILE 71 -6.139 -1.605 -9.015 539 HB ILE 71 HB ILE 71 -5.605 0.426 -11.182 540 1HG1 ILE 71 2HG1 ILE 71 -4.014 -1.907 -10.097 541 2HG1 ILE 71 1HG1 ILE 71 -4.697 -1.749 -11.713 542 1HG2 ILE 71 1HG2 ILE 71 -3.751 1.198 -9.759 543 2HG2 ILE 71 2HG2 ILE 71 -4.312 0.128 -8.473 544 3HG2 ILE 71 3HG2 ILE 71 -5.324 1.470 -9.008 545 1HD1 ILE 71 1HD1 ILE 71 -3.167 0.105 -12.170 546 2HD1 ILE 71 2HD1 ILE 71 -2.304 -1.370 -11.736 547 3HD1 ILE 71 3HD1 ILE 71 -2.479 -0.072 -10.556 548 H ILE 72 H ILE 72 -7.186 -0.858 -7.353 549 HA ILE 72 HA ILE 72 -8.292 1.864 -7.539 550 HB ILE 72 HB ILE 72 -9.813 1.284 -5.643 551 1HG1 ILE 72 2HG1 ILE 72 -9.004 -1.561 -6.292 552 2HG1 ILE 72 1HG1 ILE 72 -8.576 -0.687 -4.825 553 1HG2 ILE 72 1HG2 ILE 72 -10.211 -0.309 -8.169 554 2HG2 ILE 72 2HG2 ILE 72 -10.666 1.376 -7.908 555 3HG2 ILE 72 3HG2 ILE 72 -11.468 0.096 -7.000 556 1HD1 ILE 72 1HD1 ILE 72 -10.953 -0.544 -4.239 557 2HD1 ILE 72 2HD1 ILE 72 -10.401 -2.210 -4.411 558 3HD1 ILE 72 3HD1 ILE 72 -11.352 -1.459 -5.692 559 H ALA 73 H ALA 73 -8.069 3.067 -5.446 560 HA ALA 73 HA ALA 73 -5.867 2.047 -3.805 561 1HB ALA 73 1HB ALA 73 -4.687 4.185 -3.954 562 2HB ALA 73 2HB ALA 73 -5.885 4.762 -5.114 563 3HB ALA 73 3HB ALA 73 -4.833 3.409 -5.530 564 H SER 74 H SER 74 -6.003 2.524 -1.708 565 HA SER 74 HA SER 74 -8.328 4.021 -0.796 566 1HB SER 74 2HB SER 74 -6.264 2.425 0.744 567 2HB SER 74 1HB SER 74 -7.739 3.121 1.422 568 HG SER 74 HG SER 74 -7.782 1.327 -0.773 569 H CYS 75 H CYS 75 -4.830 4.249 -0.853 570 HA CYS 75 HA CYS 75 -4.706 6.579 0.807 571 1HB CYS 75 2HB CYS 75 -2.727 5.345 -1.107 572 2HB CYS 75 1HB CYS 75 -2.385 6.790 -0.162 573 HG CYS 75 HG CYS 75 -3.389 3.956 1.431 574 H SER 76 H SER 76 -5.195 8.597 0.249 575 HA SER 76 HA SER 76 -6.339 9.280 -2.204 576 1HB SER 76 2HB SER 76 -5.025 11.156 -0.224 577 2HB SER 76 1HB SER 76 -6.243 11.587 -1.423 578 HG SER 76 HG SER 76 -7.293 9.619 -0.049 579 H PHE 77 H PHE 77 -3.035 9.624 -1.061 580 HA PHE 77 HA PHE 77 -1.967 11.257 -3.032 581 1HB PHE 77 2HB PHE 77 -0.739 10.680 -1.018 582 2HB PHE 77 1HB PHE 77 -0.684 8.988 -1.497 583 HD1 PHE 77 HD1 PHE 77 1.164 8.183 -2.614 584 HD2 PHE 77 HD2 PHE 77 0.380 12.365 -2.647 585 HE1 PHE 77 HE1 PHE 77 3.318 8.572 -3.739 586 HE2 PHE 77 HE2 PHE 77 2.531 12.764 -3.774 587 HZ PHE 77 HZ PHE 77 4.003 10.864 -4.323 588 H ALA 78 H ALA 78 -2.242 7.715 -2.983 589 HA ALA 78 HA ALA 78 -1.054 7.462 -5.591 590 1HB ALA 78 1HB ALA 78 -1.500 5.088 -5.355 591 2HB ALA 78 2HB ALA 78 -2.505 5.398 -3.939 592 3HB ALA 78 3HB ALA 78 -0.773 5.724 -3.879 593 H LYS 79 H LYS 79 -4.300 7.288 -4.219 594 HA LYS 79 HA LYS 79 -5.665 6.358 -6.473 595 1HB LYS 79 2HB LYS 79 -6.748 6.372 -4.334 596 2HB LYS 79 1HB LYS 79 -6.586 8.119 -4.202 597 1HG LYS 79 2HG LYS 79 -8.100 8.377 -6.125 598 2HG LYS 79 1HG LYS 79 -8.302 6.626 -6.175 599 1HD LYS 79 2HD LYS 79 -9.299 6.625 -3.990 600 2HD LYS 79 1HD LYS 79 -8.956 8.345 -3.789 601 1HE LYS 79 2HE LYS 79 -10.773 7.163 -5.888 602 2HE LYS 79 1HE LYS 79 -11.311 7.904 -4.383 603 1HZ LYS 79 1HZ LYS 79 -11.467 9.463 -6.206 604 2HZ LYS 79 2HZ LYS 79 -9.823 9.276 -6.565 605 3HZ LYS 79 3HZ LYS 79 -10.290 9.993 -5.104 606 H HIS 80 H HIS 80 -5.102 9.704 -5.402 607 HA HIS 80 HA HIS 80 -6.626 10.784 -7.558 608 1HB HIS 80 2HB HIS 80 -6.055 11.797 -5.201 609 2HB HIS 80 1HB HIS 80 -4.641 12.429 -6.042 610 HD1 HIS 80 HD1 HIS 80 -8.272 12.197 -7.162 611 HD2 HIS 80 HD2 HIS 80 -5.247 15.006 -6.600 612 HE1 HIS 80 HE1 HIS 80 -9.233 14.400 -7.913 613 HE2 HIS 80 HE2 HIS 80 -7.449 16.107 -7.407 614 H MET 81 H MET 81 -3.371 9.759 -7.198 615 HA MET 81 HA MET 81 -2.237 11.257 -9.344 616 1HB MET 81 2HB MET 81 -0.887 10.103 -7.591 617 2HB MET 81 1HB MET 81 -1.387 8.557 -8.266 618 1HG MET 81 2HG MET 81 -0.323 9.221 -10.412 619 2HG MET 81 1HG MET 81 0.288 10.667 -9.608 620 1HE MET 81 1HE MET 81 2.540 8.986 -6.796 621 2HE MET 81 2HE MET 81 0.810 9.310 -6.665 622 3HE MET 81 3HE MET 81 1.878 10.507 -7.394 623 H LEU 82 H LEU 82 -3.741 8.088 -9.021 624 HA LEU 82 HA LEU 82 -3.467 7.150 -11.638 625 1HB LEU 82 2HB LEU 82 -5.758 6.704 -9.717 626 2HB LEU 82 1HB LEU 82 -5.407 5.728 -11.129 627 HG LEU 82 HG LEU 82 -3.485 6.002 -8.824 628 1HD1 LEU 82 1HD1 LEU 82 -5.546 5.060 -7.972 629 2HD1 LEU 82 2HD1 LEU 82 -4.313 3.803 -8.092 630 3HD1 LEU 82 3HD1 LEU 82 -5.594 3.901 -9.301 631 1HD2 LEU 82 1HD2 LEU 82 -3.724 3.970 -11.038 632 2HD2 LEU 82 2HD2 LEU 82 -2.514 3.974 -9.754 633 3HD2 LEU 82 3HD2 LEU 82 -2.531 5.265 -10.955 634 H GLU 83 H GLU 83 -5.835 9.271 -10.167 635 HA GLU 83 HA GLU 83 -7.606 9.365 -12.404 636 1HB GLU 83 2HB GLU 83 -7.363 11.336 -10.126 637 2HB GLU 83 1HB GLU 83 -8.758 11.096 -11.168 638 1HG GLU 83 2HG GLU 83 -9.089 8.877 -10.252 639 2HG GLU 83 1HG GLU 83 -7.653 9.062 -9.247 640 H LYS 84 H LYS 84 -4.665 10.948 -11.631 641 HA LYS 84 HA LYS 84 -5.285 13.426 -12.961 642 1HB LYS 84 2HB LYS 84 -3.811 13.370 -11.000 643 2HB LYS 84 1HB LYS 84 -2.659 12.382 -11.888 644 1HG LYS 84 2HG LYS 84 -2.371 14.240 -13.499 645 2HG LYS 84 1HG LYS 84 -3.434 15.227 -12.494 646 1HD LYS 84 2HD LYS 84 -1.891 15.003 -10.624 647 2HD LYS 84 1HD LYS 84 -0.841 13.976 -11.600 648 1HE LYS 84 2HE LYS 84 -1.520 16.859 -12.147 649 2HE LYS 84 1HE LYS 84 0.009 16.254 -11.514 650 1HZ LYS 84 1HZ LYS 84 -1.131 15.707 -14.202 651 2HZ LYS 84 2HZ LYS 84 0.286 14.996 -13.601 652 3HZ LYS 84 3HZ LYS 84 0.216 16.672 -13.856 653 H GLU 85 H GLU 85 -3.316 10.554 -13.709 654 HA GLU 85 HA GLU 85 -2.596 11.864 -16.243 655 1HB GLU 85 2HB GLU 85 -0.800 11.212 -14.527 656 2HB GLU 85 1HB GLU 85 -1.106 9.556 -15.031 657 1HG GLU 85 2HG GLU 85 -0.498 10.107 -17.312 658 2HG GLU 85 1HG GLU 85 -0.257 11.794 -16.854 659 H ASP 86 H ASP 86 -2.705 10.785 -18.156 660 HA ASP 86 HA ASP 86 -4.860 9.062 -18.564 661 1HB ASP 86 2HB ASP 86 -4.065 10.486 -20.337 662 2HB ASP 86 1HB ASP 86 -2.486 9.707 -20.321 663 H SER 87 H SER 87 -1.455 8.392 -18.106 664 HA SER 87 HA SER 87 -1.290 5.817 -19.140 665 1HB SER 87 2HB SER 87 0.689 5.596 -17.604 666 2HB SER 87 1HB SER 87 0.698 7.057 -18.591 667 HG SER 87 HG SER 87 0.920 8.055 -16.750 668 H TYR 88 H TYR 88 -2.224 6.901 -15.914 669 HA TYR 88 HA TYR 88 -2.348 4.215 -14.872 670 1HB TYR 88 2HB TYR 88 -3.416 6.742 -13.619 671 2HB TYR 88 1HB TYR 88 -3.032 5.231 -12.806 672 HD1 TYR 88 HD1 TYR 88 -1.993 8.414 -13.013 673 HD2 TYR 88 HD2 TYR 88 -0.408 4.508 -13.579 674 HE1 TYR 88 HE1 TYR 88 0.257 9.267 -12.532 675 HE2 TYR 88 HE2 TYR 88 1.852 5.352 -13.097 676 HH TYR 88 HH TYR 88 2.431 8.293 -11.653 677 H GLN 89 H GLN 89 -4.539 6.564 -16.196 678 HA GLN 89 HA GLN 89 -6.992 5.655 -15.244 679 1HB GLN 89 2HB GLN 89 -6.692 7.775 -16.431 680 2HB GLN 89 1HB GLN 89 -6.327 6.907 -17.914 681 1HG GLN 89 2HG GLN 89 -8.625 5.945 -17.831 682 2HG GLN 89 1HG GLN 89 -8.956 7.007 -16.460 683 1HE2 GLN 89 1HE2 GLN 89 -6.905 7.919 -19.112 684 2HE2 GLN 89 2HE2 GLN 89 -7.950 9.123 -19.785 685 H ASP 90 H ASP 90 -4.896 4.314 -17.622 686 HA ASP 90 HA ASP 90 -6.619 2.866 -19.242 687 1HB ASP 90 2HB ASP 90 -4.298 3.079 -19.800 688 2HB ASP 90 1HB ASP 90 -3.813 2.263 -18.318 689 H VAL 91 H VAL 91 -5.374 2.067 -16.042 690 HA VAL 91 HA VAL 91 -7.044 -0.365 -16.085 691 HB VAL 91 HB VAL 91 -5.422 -1.313 -14.393 692 1HG1 VAL 91 1HG1 VAL 91 -5.449 -2.064 -16.707 693 2HG1 VAL 91 2HG1 VAL 91 -3.795 -2.006 -16.100 694 3HG1 VAL 91 3HG1 VAL 91 -4.386 -0.733 -17.168 695 1HG2 VAL 91 1HG2 VAL 91 -3.698 0.958 -15.384 696 2HG2 VAL 91 2HG2 VAL 91 -3.157 -0.380 -14.369 697 3HG2 VAL 91 3HG2 VAL 91 -4.335 0.777 -13.749 698 H TYR 92 H TYR 92 -7.190 2.575 -14.995 699 HA TYR 92 HA TYR 92 -7.830 1.964 -12.211 700 1HB TYR 92 2HB TYR 92 -6.499 3.973 -12.596 701 2HB TYR 92 1HB TYR 92 -7.717 4.598 -13.700 702 HD1 TYR 92 HD1 TYR 92 -9.037 6.279 -12.863 703 HD2 TYR 92 HD2 TYR 92 -7.610 3.300 -10.181 704 HE1 TYR 92 HE1 TYR 92 -10.155 7.429 -11.000 705 HE2 TYR 92 HE2 TYR 92 -8.725 4.444 -8.308 706 HH TYR 92 HH TYR 92 -10.956 7.062 -8.809 707 H LEU 93 H LEU 93 -9.878 1.895 -11.437 708 HA LEU 93 HA LEU 93 -12.013 1.685 -13.340 709 1HB LEU 93 2HB LEU 93 -12.025 1.553 -10.325 710 2HB LEU 93 1HB LEU 93 -13.418 1.226 -11.336 711 HG LEU 93 HG LEU 93 -10.848 -0.362 -11.328 712 1HD1 LEU 93 1HD1 LEU 93 -12.167 -0.696 -9.306 713 2HD1 LEU 93 2HD1 LEU 93 -12.212 -2.128 -10.333 714 3HD1 LEU 93 3HD1 LEU 93 -13.596 -1.035 -10.281 715 1HD2 LEU 93 1HD2 LEU 93 -11.866 -0.340 -13.529 716 2HD2 LEU 93 2HD2 LEU 93 -13.429 -0.767 -12.834 717 3HD2 LEU 93 3HD2 LEU 93 -12.093 -1.917 -12.773 718 H GLY 94 H GLY 94 -11.976 3.577 -10.311 719 1HA GLY 94 2HA GLY 94 -12.438 5.826 -9.989 720 2HA GLY 94 1HA GLY 94 -12.612 6.005 -11.727 721 H LEU 95 H LEU 95 -14.628 4.411 -12.411 722 HA LEU 95 HA LEU 95 -16.884 5.833 -11.359 723 1HB LEU 95 2HB LEU 95 -16.727 3.576 -13.356 724 2HB LEU 95 1HB LEU 95 -18.178 4.487 -12.988 725 HG LEU 95 HG LEU 95 -15.662 5.612 -14.223 726 1HD1 LEU 95 1HD1 LEU 95 -16.931 4.165 -15.740 727 2HD1 LEU 95 2HD1 LEU 95 -17.018 5.856 -16.232 728 3HD1 LEU 95 3HD1 LEU 95 -18.387 5.105 -15.415 729 1HD2 LEU 95 1HD2 LEU 95 -16.956 7.660 -14.508 730 2HD2 LEU 95 2HD2 LEU 95 -16.817 7.240 -12.800 731 3HD2 LEU 95 3HD2 LEU 95 -18.320 6.925 -13.667 732 H GLU 96 H GLU 96 -18.748 4.920 -10.399 733 HA GLU 96 HA GLU 96 -18.114 2.663 -8.645 734 1HB GLU 96 2HB GLU 96 -20.329 4.714 -8.600 735 2HB GLU 96 1HB GLU 96 -20.235 3.365 -7.479 736 1HG GLU 96 2HG GLU 96 -18.086 4.214 -6.660 737 2HG GLU 96 1HG GLU 96 -18.221 5.583 -7.766 738 H HIS 97 H HIS 97 -19.342 0.800 -8.552 739 HA HIS 97 HA HIS 97 -20.957 0.043 -10.756 740 1HB HIS 97 2HB HIS 97 -19.772 -1.519 -9.134 741 2HB HIS 97 1HB HIS 97 -21.045 -1.152 -7.975 742 HD1 HIS 97 HD1 HIS 97 -20.514 -2.781 -11.331 743 HD2 HIS 97 HD2 HIS 97 -23.380 -2.580 -8.323 744 HE1 HIS 97 HE1 HIS 97 -22.221 -4.538 -11.902 745 HE2 HIS 97 HE2 HIS 97 -23.826 -4.536 -9.959 746 H HIS 98 H HIS 98 -23.056 0.507 -11.151 747 HA HIS 98 HA HIS 98 -24.258 2.564 -9.666 748 1HB HIS 98 2HB HIS 98 -25.426 0.748 -11.770 749 2HB HIS 98 1HB HIS 98 -26.279 2.132 -11.090 750 HD1 HIS 98 HD1 HIS 98 -24.371 4.378 -11.170 751 HD2 HIS 98 HD2 HIS 98 -24.423 1.485 -14.161 752 HE1 HIS 98 HE1 HIS 98 -23.268 5.438 -13.164 753 HE2 HIS 98 HE2 HIS 98 -23.207 3.639 -14.923 754 H HIS 99 H HIS 99 -25.742 2.642 -8.116 755 HA HIS 99 HA HIS 99 -26.031 0.196 -6.569 756 1HB HIS 99 2HB HIS 99 -25.259 2.519 -5.707 757 2HB HIS 99 1HB HIS 99 -26.965 2.939 -5.748 758 HD1 HIS 99 HD1 HIS 99 -24.709 2.278 -3.336 759 HD2 HIS 99 HD2 HIS 99 -28.289 0.393 -4.274 760 HE1 HIS 99 HE1 HIS 99 -25.464 1.170 -1.213 761 HE2 HIS 99 HE2 HIS 99 -27.776 0.321 -1.740 762 H HIS 100 H HIS 100 -27.957 2.517 -8.325 763 HA HIS 100 HA HIS 100 -30.118 2.547 -9.021 764 1HB HIS 100 2HB HIS 100 -30.176 -0.275 -7.937 765 2HB HIS 100 1HB HIS 100 -31.554 0.489 -8.718 766 HD1 HIS 100 HD1 HIS 100 -31.486 0.737 -11.275 767 HD2 HIS 100 HD2 HIS 100 -28.084 -1.028 -9.651 768 HE1 HIS 100 HE1 HIS 100 -30.225 -0.232 -13.221 769 HE2 HIS 100 HE2 HIS 100 -28.325 -1.517 -12.182 770 H HIS 101 H HIS 101 -30.454 0.594 -6.063 771 HA HIS 101 HA HIS 101 -32.382 2.556 -5.065 772 1HB HIS 101 2HB HIS 101 -31.686 -0.229 -4.102 773 2HB HIS 101 1HB HIS 101 -32.879 0.816 -3.339 774 HD1 HIS 101 HD1 HIS 101 -32.995 -2.015 -5.200 775 HD2 HIS 101 HD2 HIS 101 -34.616 1.761 -5.854 776 HE1 HIS 101 HE1 HIS 101 -34.892 -2.357 -6.818 777 HE2 HIS 101 HE2 HIS 101 -35.710 -0.034 -7.356 778 H HIS 102 HN HIS 102 -32.106 2.000 -2.315 779 HA HIS 102 HA HIS 102 -29.468 3.196 -1.771 780 1HB HIS 102 2HB HIS 102 -32.073 3.547 -0.258 781 2HB HIS 102 1HB HIS 102 -30.520 4.195 0.258 782 HD1 HIS 102 HD1 HIS 102 -29.982 6.490 -0.534 783 HD2 HIS 102 HD2 HIS 102 -32.930 4.678 -2.844 784 HE1 HIS 102 HE1 HIS 102 -30.755 8.250 -2.156 785 HE2 HIS 102 HE2 HIS 102 -32.318 7.034 -3.711 Start of MODEL 14 1 1H MET 1 1H MET 1 21.987 7.965 -7.721 2 2H MET 1 2H MET 1 21.059 8.701 -8.930 3 3H MET 1 3H MET 1 22.741 8.910 -8.911 4 HA MET 1 HA MET 1 22.212 7.349 -10.606 5 1HB MET 1 2HB MET 1 23.418 6.163 -8.110 6 2HB MET 1 1HB MET 1 23.348 5.275 -9.625 7 1HG MET 1 2HG MET 1 24.681 7.948 -9.284 8 2HG MET 1 1HG MET 1 25.513 6.396 -9.204 9 1HE MET 1 1HE MET 1 27.175 7.336 -11.077 10 2HE MET 1 2HE MET 1 26.259 8.837 -11.212 11 3HE MET 1 3HE MET 1 26.641 7.906 -12.660 12 H SER 2 H SER 2 21.182 5.426 -11.304 13 HA SER 2 HA SER 2 18.692 4.934 -9.922 14 1HB SER 2 2HB SER 2 18.912 5.195 -12.435 15 2HB SER 2 1HB SER 2 19.680 3.608 -12.456 16 HG SER 2 HG SER 2 17.070 4.220 -12.384 17 H ASN 3 H ASN 3 20.291 4.100 -8.136 18 HA ASN 3 HA ASN 3 20.777 1.227 -8.497 19 1HB ASN 3 2HB ASN 3 21.732 3.177 -6.391 20 2HB ASN 3 1HB ASN 3 21.996 1.442 -6.289 21 1HD2 ASN 3 1HD2 ASN 3 24.205 1.626 -6.336 22 2HD2 ASN 3 2HD2 ASN 3 25.070 2.077 -7.769 23 H LEU 4 H LEU 4 18.347 3.132 -7.620 24 HA LEU 4 HA LEU 4 17.529 1.809 -5.187 25 1HB LEU 4 2HB LEU 4 16.062 3.779 -6.945 26 2HB LEU 4 1HB LEU 4 15.508 3.215 -5.379 27 HG LEU 4 HG LEU 4 18.009 4.833 -5.876 28 1HD1 LEU 4 1HD1 LEU 4 16.784 6.599 -4.667 29 2HD1 LEU 4 2HD1 LEU 4 15.342 5.583 -4.693 30 3HD1 LEU 4 3HD1 LEU 4 16.036 6.171 -6.205 31 1HD2 LEU 4 1HD2 LEU 4 18.238 3.300 -3.978 32 2HD2 LEU 4 2HD2 LEU 4 16.751 3.943 -3.282 33 3HD2 LEU 4 3HD2 LEU 4 18.164 4.983 -3.455 34 H GLU 5 H GLU 5 17.383 -0.340 -5.865 35 HA GLU 5 HA GLU 5 15.572 -1.062 -7.988 36 1HB GLU 5 2HB GLU 5 17.574 -2.405 -7.634 37 2HB GLU 5 1HB GLU 5 17.075 -2.759 -5.988 38 1HG GLU 5 2HG GLU 5 16.662 -4.654 -7.431 39 2HG GLU 5 1HG GLU 5 15.141 -3.991 -6.836 40 H ILE 6 H ILE 6 13.637 -2.136 -7.777 41 HA ILE 6 HA ILE 6 12.088 -1.424 -5.458 42 HB ILE 6 HB ILE 6 11.296 -3.137 -7.825 43 1HG1 ILE 6 2HG1 ILE 6 10.888 -0.169 -7.386 44 2HG1 ILE 6 1HG1 ILE 6 12.078 -0.871 -8.478 45 1HG2 ILE 6 1HG2 ILE 6 9.814 -3.422 -5.929 46 2HG2 ILE 6 2HG2 ILE 6 8.999 -2.507 -7.196 47 3HG2 ILE 6 3HG2 ILE 6 9.632 -1.674 -5.775 48 1HD1 ILE 6 1HD1 ILE 6 10.109 -0.096 -9.673 49 2HD1 ILE 6 2HD1 ILE 6 9.093 -1.163 -8.703 50 3HD1 ILE 6 3HD1 ILE 6 10.289 -1.845 -9.803 51 H LYS 7 H LYS 7 12.388 -2.570 -3.647 52 HA LYS 7 HA LYS 7 13.134 -5.366 -3.773 53 1HB LYS 7 2HB LYS 7 12.725 -3.552 -1.389 54 2HB LYS 7 1HB LYS 7 13.420 -5.168 -1.342 55 1HG LYS 7 2HG LYS 7 14.581 -2.803 -2.803 56 2HG LYS 7 1HG LYS 7 15.139 -3.433 -1.252 57 1HD LYS 7 2HD LYS 7 15.821 -5.494 -2.256 58 2HD LYS 7 1HD LYS 7 15.055 -5.063 -3.786 59 1HE LYS 7 2HE LYS 7 16.645 -3.299 -4.145 60 2HE LYS 7 1HE LYS 7 17.343 -3.546 -2.543 61 1HZ LYS 7 1HZ LYS 7 17.329 -5.640 -4.650 62 2HZ LYS 7 2HZ LYS 7 18.195 -5.639 -3.193 63 3HZ LYS 7 3HZ LYS 7 18.616 -4.554 -4.426 64 H GLN 8 H GLN 8 11.678 -6.891 -3.882 65 HA GLN 8 HA GLN 8 8.915 -6.439 -3.335 66 1HB GLN 8 2HB GLN 8 10.436 -8.986 -3.895 67 2HB GLN 8 1HB GLN 8 8.685 -8.877 -3.795 68 1HG GLN 8 2HG GLN 8 8.631 -7.399 -5.698 69 2HG GLN 8 1HG GLN 8 10.391 -7.377 -5.763 70 1HE2 GLN 8 1HE2 GLN 8 8.575 -10.257 -5.032 71 2HE2 GLN 8 2HE2 GLN 8 8.911 -11.088 -6.512 72 H GLY 9 H GLY 9 7.949 -6.511 -1.453 73 1HA GLY 9 2HA GLY 9 9.164 -8.136 0.701 74 2HA GLY 9 1HA GLY 9 8.387 -6.583 0.990 75 H GLU 10 H GLU 10 7.067 -7.754 2.535 76 HA GLU 10 HA GLU 10 5.343 -9.849 1.669 77 1HB GLU 10 2HB GLU 10 4.147 -9.413 3.858 78 2HB GLU 10 1HB GLU 10 5.848 -9.829 3.981 79 1HG GLU 10 2HG GLU 10 4.998 -6.965 3.968 80 2HG GLU 10 1HG GLU 10 4.881 -7.926 5.440 81 H ASN 11 H ASN 11 4.129 -9.314 -0.047 82 HA ASN 11 HA ASN 11 2.438 -8.424 -1.275 83 1HB ASN 11 2HB ASN 11 1.168 -9.046 0.818 84 2HB ASN 11 1HB ASN 11 1.366 -7.384 1.360 85 1HD2 ASN 11 1HD2 ASN 11 0.815 -8.310 -1.973 86 2HD2 ASN 11 2HD2 ASN 11 -0.762 -7.610 -2.101 87 H LYS 12 H LYS 12 4.868 -6.828 -0.630 88 HA LYS 12 HA LYS 12 3.798 -4.164 -1.217 89 1HB LYS 12 2HB LYS 12 5.240 -3.108 0.436 90 2HB LYS 12 1HB LYS 12 4.161 -4.258 1.219 91 1HG LYS 12 2HG LYS 12 5.883 -5.808 1.566 92 2HG LYS 12 1HG LYS 12 6.953 -5.006 0.418 93 1HD LYS 12 2HD LYS 12 7.697 -4.542 2.656 94 2HD LYS 12 1HD LYS 12 7.057 -3.062 1.942 95 1HE LYS 12 2HE LYS 12 4.948 -3.410 3.137 96 2HE LYS 12 1HE LYS 12 5.603 -4.881 3.857 97 1HZ LYS 12 1HZ LYS 12 5.766 -3.002 5.364 98 2HZ LYS 12 2HZ LYS 12 6.686 -2.136 4.226 99 3HZ LYS 12 3HZ LYS 12 7.310 -3.556 4.926 100 H PHE 13 H PHE 13 5.298 -2.706 -2.095 101 HA PHE 13 HA PHE 13 7.900 -3.817 -2.922 102 1HB PHE 13 2HB PHE 13 6.135 -1.842 -4.401 103 2HB PHE 13 1HB PHE 13 7.799 -2.196 -4.844 104 HD1 PHE 13 HD1 PHE 13 4.651 -2.733 -5.885 105 HD2 PHE 13 HD2 PHE 13 8.099 -4.988 -4.820 106 HE1 PHE 13 HE1 PHE 13 3.871 -4.584 -7.306 107 HE2 PHE 13 HE2 PHE 13 7.325 -6.844 -6.237 108 HZ PHE 13 HZ PHE 13 5.208 -6.641 -7.484 109 H TYR 14 H TYR 14 9.482 -2.837 -1.764 110 HA TYR 14 HA TYR 14 9.031 -0.024 -1.040 111 1HB TYR 14 2HB TYR 14 9.854 -0.366 1.188 112 2HB TYR 14 1HB TYR 14 8.559 -1.518 0.895 113 HD1 TYR 14 HD1 TYR 14 9.206 -3.928 0.349 114 HD2 TYR 14 HD2 TYR 14 11.970 -1.078 1.873 115 HE1 TYR 14 HE1 TYR 14 10.681 -5.757 1.077 116 HE2 TYR 14 HE2 TYR 14 13.455 -2.895 2.599 117 HH TYR 14 HH TYR 14 13.080 -5.398 3.273 118 H ILE 15 H ILE 15 10.830 1.268 -0.767 119 HA ILE 15 HA ILE 15 13.455 0.185 -1.495 120 HB ILE 15 HB ILE 15 12.313 2.642 -2.858 121 1HG1 ILE 15 2HG1 ILE 15 12.769 -0.104 -4.044 122 2HG1 ILE 15 1HG1 ILE 15 11.193 0.585 -3.667 123 1HG2 ILE 15 1HG2 ILE 15 14.873 1.112 -3.308 124 2HG2 ILE 15 2HG2 ILE 15 14.718 2.711 -2.581 125 3HG2 ILE 15 3HG2 ILE 15 14.309 2.472 -4.280 126 1HD1 ILE 15 1HD1 ILE 15 13.157 1.681 -5.666 127 2HD1 ILE 15 2HD1 ILE 15 11.566 2.349 -5.299 128 3HD1 ILE 15 3HD1 ILE 15 11.705 0.754 -6.038 129 H GLY 16 H GLY 16 15.184 1.455 -0.649 130 1HA GLY 16 2HA GLY 16 15.131 4.063 0.166 131 2HA GLY 16 1HA GLY 16 14.471 3.188 1.538 132 H ASP 17 H ASP 17 16.566 4.468 2.233 133 HA ASP 17 HA ASP 17 19.076 3.222 1.768 134 1HB ASP 17 2HB ASP 17 18.248 4.819 4.208 135 2HB ASP 17 1HB ASP 17 19.888 4.546 3.628 136 H ASP 18 H ASP 18 16.427 2.670 3.888 137 HA ASP 18 HA ASP 18 17.426 0.070 4.605 138 1HB ASP 18 2HB ASP 18 18.404 1.576 6.361 139 2HB ASP 18 1HB ASP 18 16.767 2.058 6.800 140 H GLU 19 H GLU 19 15.643 -1.075 5.952 141 HA GLU 19 HA GLU 19 13.167 -0.665 4.575 142 1HB GLU 19 2HB GLU 19 14.147 -2.900 5.311 143 2HB GLU 19 1HB GLU 19 13.637 -2.484 6.939 144 1HG GLU 19 2HG GLU 19 11.343 -2.458 6.291 145 2HG GLU 19 1HG GLU 19 11.771 -2.633 4.591 146 H ASN 20 H ASN 20 14.479 0.168 7.693 147 HA ASN 20 HA ASN 20 12.004 0.954 8.897 148 1HB ASN 20 2HB ASN 20 14.026 0.410 10.217 149 2HB ASN 20 1HB ASN 20 14.840 1.817 9.541 150 1HD2 ASN 20 1HD2 ASN 20 12.434 0.680 11.752 151 2HD2 ASN 20 2HD2 ASN 20 12.206 2.175 12.594 152 H ASN 21 H ASN 21 14.418 2.496 6.911 153 HA ASN 21 HA ASN 21 12.961 5.051 7.058 154 1HB ASN 21 2HB ASN 21 15.772 4.556 6.049 155 2HB ASN 21 1HB ASN 21 15.002 6.120 6.277 156 1HD2 ASN 21 1HD2 ASN 21 14.687 6.901 8.394 157 2HD2 ASN 21 2HD2 ASN 21 15.576 6.245 9.732 158 H ALA 22 H ALA 22 11.803 3.093 5.555 159 HA ALA 22 HA ALA 22 12.596 2.965 2.862 160 1HB ALA 22 1HB ALA 22 11.088 1.328 3.866 161 2HB ALA 22 2HB ALA 22 10.367 2.062 2.432 162 3HB ALA 22 3HB ALA 22 9.847 2.570 4.039 163 H LEU 23 H LEU 23 12.673 4.559 1.458 164 HA LEU 23 HA LEU 23 10.958 6.890 1.722 165 1HB LEU 23 2HB LEU 23 13.145 6.223 -0.253 166 2HB LEU 23 1HB LEU 23 12.257 7.735 -0.234 167 HG LEU 23 HG LEU 23 14.040 6.720 1.986 168 1HD1 LEU 23 1HD1 LEU 23 15.273 7.400 -0.023 169 2HD1 LEU 23 2HD1 LEU 23 15.547 8.502 1.326 170 3HD1 LEU 23 3HD1 LEU 23 14.460 8.963 0.015 171 1HD2 LEU 23 1HD2 LEU 23 12.543 9.322 1.669 172 2HD2 LEU 23 2HD2 LEU 23 13.723 8.971 2.931 173 3HD2 LEU 23 3HD2 LEU 23 12.216 8.060 2.856 174 H ALA 24 H ALA 24 10.767 3.896 0.394 175 HA ALA 24 HA ALA 24 8.501 4.713 -1.262 176 1HB ALA 24 1HB ALA 24 10.328 4.356 -2.833 177 2HB ALA 24 2HB ALA 24 9.130 3.070 -2.987 178 3HB ALA 24 3HB ALA 24 10.642 2.769 -2.133 179 H GLU 25 H GLU 25 6.765 3.585 -0.695 180 HA GLU 25 HA GLU 25 6.952 0.852 0.238 181 1HB GLU 25 2HB GLU 25 7.419 2.058 2.290 182 2HB GLU 25 1HB GLU 25 6.050 3.125 2.025 183 1HG GLU 25 2HG GLU 25 5.428 1.586 3.703 184 2HG GLU 25 1HG GLU 25 4.565 1.136 2.239 185 H ILE 26 H ILE 26 5.340 -0.104 -0.878 186 HA ILE 26 HA ILE 26 2.705 1.152 -0.899 187 HB ILE 26 HB ILE 26 3.702 1.974 -2.953 188 1HG1 ILE 26 2HG1 ILE 26 1.711 -0.230 -3.532 189 2HG1 ILE 26 1HG1 ILE 26 1.304 1.380 -2.943 190 1HG2 ILE 26 1HG2 ILE 26 4.405 0.452 -4.750 191 2HG2 ILE 26 2HG2 ILE 26 4.172 -0.918 -3.664 192 3HG2 ILE 26 3HG2 ILE 26 5.407 0.289 -3.306 193 1HD1 ILE 26 1HD1 ILE 26 2.617 0.755 -5.577 194 2HD1 ILE 26 2HD1 ILE 26 2.172 2.358 -4.991 195 3HD1 ILE 26 3HD1 ILE 26 0.919 1.166 -5.336 196 H THR 27 H THR 27 1.060 -0.272 -0.775 197 HA THR 27 HA THR 27 1.734 -3.129 -1.014 198 HB THR 27 HB THR 27 0.059 -3.540 0.809 199 HG1 THR 27 HG1 THR 27 -0.408 -1.681 2.151 200 1HG2 THR 27 1HG2 THR 27 2.447 -3.582 1.299 201 2HG2 THR 27 2HG2 THR 27 1.553 -2.887 2.651 202 3HG2 THR 27 3HG2 THR 27 2.443 -1.835 1.548 203 H TYR 28 H TYR 28 0.267 -4.435 -2.022 204 HA TYR 28 HA TYR 28 -2.206 -3.159 -2.976 205 1HB TYR 28 2HB TYR 28 -1.933 -4.509 -5.099 206 2HB TYR 28 1HB TYR 28 -0.777 -3.200 -4.888 207 HD1 TYR 28 HD1 TYR 28 -1.204 -6.732 -5.406 208 HD2 TYR 28 HD2 TYR 28 1.561 -3.775 -4.103 209 HE1 TYR 28 HE1 TYR 28 0.643 -8.315 -5.756 210 HE2 TYR 28 HE2 TYR 28 3.415 -5.346 -4.449 211 HH TYR 28 HH TYR 28 3.069 -8.260 -6.156 212 H ARG 29 H ARG 29 -3.709 -4.100 -1.746 213 HA ARG 29 HA ARG 29 -3.454 -6.954 -1.125 214 1HB ARG 29 2HB ARG 29 -5.338 -4.875 -0.024 215 2HB ARG 29 1HB ARG 29 -5.231 -6.538 0.525 216 1HG ARG 29 2HG ARG 29 -2.992 -6.183 1.329 217 2HG ARG 29 1HG ARG 29 -2.979 -4.545 0.672 218 1HD ARG 29 2HD ARG 29 -3.400 -4.649 3.125 219 2HD ARG 29 1HD ARG 29 -4.678 -3.849 2.212 220 HE ARG 29 HE ARG 29 -6.050 -5.791 2.505 221 1HH1 ARG 29 2HH1 ARG 29 -3.096 -5.768 4.392 222 2HH1 ARG 29 1HH1 ARG 29 -3.664 -6.940 5.537 223 1HH2 ARG 29 1HH2 ARG 29 -6.819 -7.321 4.025 224 2HH2 ARG 29 2HH2 ARG 29 -5.795 -7.815 5.343 225 H PHE 30 H PHE 30 -4.841 -8.467 -1.832 226 HA PHE 30 HA PHE 30 -6.603 -7.811 -4.008 227 1HB PHE 30 2HB PHE 30 -6.070 -10.413 -2.556 228 2HB PHE 30 1HB PHE 30 -7.138 -10.272 -3.948 229 HD1 PHE 30 HD1 PHE 30 -3.668 -10.228 -2.803 230 HD2 PHE 30 HD2 PHE 30 -6.256 -9.910 -6.164 231 HE1 PHE 30 HE1 PHE 30 -1.748 -10.545 -4.305 232 HE2 PHE 30 HE2 PHE 30 -4.340 -10.228 -7.675 233 HZ PHE 30 HZ PHE 30 -2.082 -10.546 -6.745 234 H VAL 31 H VAL 31 -8.661 -7.179 -3.816 235 HA VAL 31 HA VAL 31 -9.961 -7.628 -1.229 236 HB VAL 31 HB VAL 31 -11.558 -5.828 -1.950 237 1HG1 VAL 31 1HG1 VAL 31 -9.961 -4.000 -1.503 238 2HG1 VAL 31 2HG1 VAL 31 -8.632 -5.135 -1.732 239 3HG1 VAL 31 3HG1 VAL 31 -9.767 -5.361 -0.401 240 1HG2 VAL 31 1HG2 VAL 31 -11.171 -5.960 -4.364 241 2HG2 VAL 31 2HG2 VAL 31 -9.518 -5.390 -4.128 242 3HG2 VAL 31 3HG2 VAL 31 -10.878 -4.333 -3.750 243 H ASP 32 H ASP 32 -10.707 -7.804 -4.730 244 HA ASP 32 HA ASP 32 -13.081 -9.369 -3.975 245 1HB ASP 32 2HB ASP 32 -13.426 -7.193 -5.215 246 2HB ASP 32 1HB ASP 32 -12.668 -7.957 -6.607 247 H ASN 33 H ASN 33 -11.456 -9.189 -7.148 248 HA ASN 33 HA ASN 33 -10.753 -12.025 -6.830 249 1HB ASN 33 2HB ASN 33 -11.752 -12.673 -8.928 250 2HB ASN 33 1HB ASN 33 -12.981 -11.894 -7.941 251 1HD2 ASN 33 1HD2 ASN 33 -13.638 -9.760 -8.479 252 2HD2 ASN 33 2HD2 ASN 33 -13.411 -9.143 -10.084 253 H ASN 34 H ASN 34 -10.453 -9.168 -8.955 254 HA ASN 34 HA ASN 34 -7.629 -9.939 -9.353 255 1HB ASN 34 2HB ASN 34 -9.580 -8.953 -11.436 256 2HB ASN 34 1HB ASN 34 -7.841 -8.776 -11.637 257 1HD2 ASN 34 1HD2 ASN 34 -9.665 -10.259 -13.280 258 2HD2 ASN 34 2HD2 ASN 34 -9.146 -11.910 -13.236 259 H GLU 35 H GLU 35 -9.671 -7.856 -8.017 260 HA GLU 35 HA GLU 35 -8.505 -5.358 -8.813 261 1HB GLU 35 2HB GLU 35 -10.443 -6.023 -6.584 262 2HB GLU 35 1HB GLU 35 -9.996 -4.399 -7.079 263 1HG GLU 35 2HG GLU 35 -12.126 -4.903 -8.007 264 2HG GLU 35 1HG GLU 35 -10.955 -4.879 -9.321 265 H ILE 36 H ILE 36 -6.486 -4.986 -8.185 266 HA ILE 36 HA ILE 36 -5.612 -5.741 -5.512 267 HB ILE 36 HB ILE 36 -3.407 -4.734 -6.257 268 1HG1 ILE 36 2HG1 ILE 36 -4.768 -4.792 -8.964 269 2HG1 ILE 36 1HG1 ILE 36 -4.307 -3.336 -8.089 270 1HG2 ILE 36 1HG2 ILE 36 -2.806 -6.698 -7.569 271 2HG2 ILE 36 2HG2 ILE 36 -4.513 -7.045 -7.847 272 3HG2 ILE 36 3HG2 ILE 36 -3.851 -7.134 -6.215 273 1HD1 ILE 36 1HD1 ILE 36 -2.432 -5.441 -9.140 274 2HD1 ILE 36 2HD1 ILE 36 -1.958 -3.992 -8.254 275 3HD1 ILE 36 3HD1 ILE 36 -2.714 -3.848 -9.842 276 H ASN 37 H ASN 37 -6.138 -4.455 -3.933 277 HA ASN 37 HA ASN 37 -6.709 -1.648 -4.397 278 1HB ASN 37 2HB ASN 37 -8.251 -2.919 -3.005 279 2HB ASN 37 1HB ASN 37 -6.939 -3.383 -1.926 280 1HD2 ASN 37 1HD2 ASN 37 -7.870 -2.478 -0.124 281 2HD2 ASN 37 2HD2 ASN 37 -7.999 -0.769 0.111 282 H ILE 38 H ILE 38 -5.036 -0.320 -4.437 283 HA ILE 38 HA ILE 38 -2.650 -0.724 -2.934 284 HB ILE 38 HB ILE 38 -3.675 1.794 -4.259 285 1HG1 ILE 38 2HG1 ILE 38 -1.639 -0.226 -5.222 286 2HG1 ILE 38 1HG1 ILE 38 -3.303 -0.138 -5.791 287 1HG2 ILE 38 1HG2 ILE 38 -2.038 2.309 -2.548 288 2HG2 ILE 38 2HG2 ILE 38 -1.326 2.534 -4.146 289 3HG2 ILE 38 3HG2 ILE 38 -0.940 1.096 -3.202 290 1HD1 ILE 38 1HD1 ILE 38 -1.213 2.006 -6.104 291 2HD1 ILE 38 2HD1 ILE 38 -2.880 2.100 -6.675 292 3HD1 ILE 38 3HD1 ILE 38 -1.776 0.908 -7.363 293 H ASP 39 H ASP 39 -2.883 -0.825 -0.809 294 HA ASP 39 HA ASP 39 -4.768 0.864 0.595 295 1HB ASP 39 2HB ASP 39 -4.525 -1.484 1.260 296 2HB ASP 39 1HB ASP 39 -2.820 -1.222 1.607 297 H HIS 40 H HIS 40 -1.285 0.217 0.827 298 HA HIS 40 HA HIS 40 -0.993 2.796 2.216 299 1HB HIS 40 2HB HIS 40 -0.363 0.707 3.453 300 2HB HIS 40 1HB HIS 40 0.884 0.424 2.246 301 HD1 HIS 40 HD1 HIS 40 0.234 2.149 5.396 302 HD2 HIS 40 HD2 HIS 40 2.970 2.463 2.273 303 HE1 HIS 40 HE1 HIS 40 2.140 3.526 6.291 304 HE2 HIS 40 HE2 HIS 40 3.780 3.720 4.384 305 H THR 41 H THR 41 0.225 4.354 1.324 306 HA THR 41 HA THR 41 2.272 3.624 -0.629 307 HB THR 41 HB THR 41 0.243 5.802 -1.186 308 HG1 THR 41 HG1 THR 41 0.234 3.109 -1.691 309 1HG2 THR 41 1HG2 THR 41 1.299 5.865 -3.402 310 2HG2 THR 41 2HG2 THR 41 2.461 4.644 -2.883 311 3HG2 THR 41 3HG2 THR 41 2.462 6.239 -2.130 312 H GLY 42 H GLY 42 3.991 4.291 0.474 313 1HA GLY 42 2HA GLY 42 3.985 7.075 1.472 314 2HA GLY 42 1HA GLY 42 4.835 5.767 2.286 315 H VAL 43 H VAL 43 5.030 8.209 -0.030 316 HA VAL 43 HA VAL 43 7.552 7.123 -1.092 317 HB VAL 43 HB VAL 43 5.926 9.403 -2.246 318 1HG1 VAL 43 1HG1 VAL 43 8.144 7.745 -3.442 319 2HG1 VAL 43 2HG1 VAL 43 8.292 9.404 -2.865 320 3HG1 VAL 43 3HG1 VAL 43 7.266 9.043 -4.253 321 1HG2 VAL 43 1HG2 VAL 43 5.165 7.798 -3.949 322 2HG2 VAL 43 2HG2 VAL 43 4.592 7.387 -2.334 323 3HG2 VAL 43 3HG2 VAL 43 5.938 6.496 -3.044 324 H SER 44 H SER 44 9.357 8.616 -1.246 325 HA SER 44 HA SER 44 9.929 9.977 1.074 326 1HB SER 44 2HB SER 44 11.734 11.115 -0.340 327 2HB SER 44 1HB SER 44 11.739 9.355 -0.277 328 HG SER 44 HG SER 44 10.436 10.812 -2.328 329 H ASP 45 H ASP 45 9.333 11.786 1.915 330 HA ASP 45 HA ASP 45 7.830 13.697 0.278 331 1HB ASP 45 2HB ASP 45 6.942 14.541 2.407 332 2HB ASP 45 1HB ASP 45 6.684 12.806 2.262 333 H GLU 46 H GLU 46 10.853 13.268 0.901 334 HA GLU 46 HA GLU 46 11.996 15.438 2.143 335 1HB GLU 46 2HB GLU 46 12.947 13.305 0.811 336 2HB GLU 46 1HB GLU 46 13.198 14.524 -0.429 337 1HG GLU 46 2HG GLU 46 14.301 14.596 2.372 338 2HG GLU 46 1HG GLU 46 15.195 14.170 0.914 339 H LEU 47 H LEU 47 11.647 15.200 -1.396 340 HA LEU 47 HA LEU 47 10.776 18.008 -1.440 341 1HB LEU 47 2HB LEU 47 12.804 16.685 -3.240 342 2HB LEU 47 1HB LEU 47 12.016 18.200 -3.643 343 HG LEU 47 HG LEU 47 13.793 17.726 -1.242 344 1HD1 LEU 47 1HD1 LEU 47 14.269 19.262 -3.793 345 2HD1 LEU 47 2HD1 LEU 47 15.039 17.745 -3.327 346 3HD1 LEU 47 3HD1 LEU 47 15.353 19.214 -2.403 347 1HD2 LEU 47 1HD2 LEU 47 13.627 20.144 -0.916 348 2HD2 LEU 47 2HD2 LEU 47 12.048 19.369 -0.788 349 3HD2 LEU 47 3HD2 LEU 47 12.482 20.248 -2.254 350 H GLY 48 H GLY 48 9.544 15.229 -1.647 351 1HA GLY 48 2HA GLY 48 7.362 14.994 -2.678 352 2HA GLY 48 1HA GLY 48 8.011 15.802 -4.097 353 H GLY 49 H GLY 49 6.740 13.594 -4.669 354 1HA GLY 49 2HA GLY 49 8.445 11.250 -4.482 355 2HA GLY 49 1HA GLY 49 6.857 11.331 -5.234 356 H GLN 50 H GLN 50 9.991 12.918 -5.735 357 HA GLN 50 HA GLN 50 9.602 13.285 -8.509 358 1HB GLN 50 2HB GLN 50 12.222 13.245 -7.004 359 2HB GLN 50 1HB GLN 50 11.926 13.989 -8.568 360 1HG GLN 50 2HG GLN 50 10.376 15.568 -7.499 361 2HG GLN 50 1HG GLN 50 10.744 14.839 -5.935 362 1HE2 GLN 50 1HE2 GLN 50 12.782 15.151 -5.029 363 2HE2 GLN 50 2HE2 GLN 50 13.847 16.398 -5.568 364 H GLY 51 H GLY 51 9.280 11.522 -9.755 365 1HA GLY 51 2HA GLY 51 10.023 9.825 -11.138 366 2HA GLY 51 1HA GLY 51 11.578 9.882 -10.325 367 H VAL 52 H VAL 52 10.789 9.367 -7.710 368 HA VAL 52 HA VAL 52 10.828 6.585 -7.648 369 HB VAL 52 HB VAL 52 9.868 8.406 -5.433 370 1HG1 VAL 52 1HG1 VAL 52 9.386 6.057 -5.021 371 2HG1 VAL 52 2HG1 VAL 52 10.657 6.634 -3.943 372 3HG1 VAL 52 3HG1 VAL 52 11.071 5.641 -5.341 373 1HG2 VAL 52 1HG2 VAL 52 12.202 8.408 -4.668 374 2HG2 VAL 52 2HG2 VAL 52 12.032 9.147 -6.260 375 3HG2 VAL 52 3HG2 VAL 52 12.668 7.509 -6.111 376 H GLY 53 H GLY 53 8.087 8.794 -7.113 377 1HA GLY 53 2HA GLY 53 6.166 6.849 -6.490 378 2HA GLY 53 1HA GLY 53 5.820 8.436 -7.164 379 H LYS 54 H LYS 54 7.162 8.185 -9.591 380 HA LYS 54 HA LYS 54 5.233 6.887 -11.186 381 1HB LYS 54 2HB LYS 54 6.581 8.812 -11.946 382 2HB LYS 54 1HB LYS 54 8.021 7.806 -11.927 383 1HG LYS 54 2HG LYS 54 6.925 6.345 -13.634 384 2HG LYS 54 1HG LYS 54 5.628 7.539 -13.730 385 1HD LYS 54 2HD LYS 54 8.549 8.011 -14.325 386 2HD LYS 54 1HD LYS 54 7.244 7.907 -15.506 387 1HE LYS 54 2HE LYS 54 6.204 9.891 -14.554 388 2HE LYS 54 1HE LYS 54 7.471 9.984 -13.333 389 1HZ LYS 54 1HZ LYS 54 7.997 11.515 -15.051 390 2HZ LYS 54 2HZ LYS 54 7.773 10.349 -16.261 391 3HZ LYS 54 3HZ LYS 54 9.084 10.220 -15.196 392 H LYS 55 H LYS 55 8.552 6.050 -10.291 393 HA LYS 55 HA LYS 55 8.830 3.724 -11.811 394 1HB LYS 55 2HB LYS 55 10.699 4.869 -10.704 395 2HB LYS 55 1HB LYS 55 10.064 4.407 -9.134 396 1HG LYS 55 2HG LYS 55 10.422 2.047 -9.696 397 2HG LYS 55 1HG LYS 55 11.099 2.535 -11.252 398 1HD LYS 55 2HD LYS 55 12.881 3.741 -10.131 399 2HD LYS 55 1HD LYS 55 12.184 3.353 -8.557 400 1HE LYS 55 2HE LYS 55 14.029 1.871 -8.993 401 2HE LYS 55 1HE LYS 55 12.526 0.954 -9.045 402 1HZ LYS 55 1HZ LYS 55 13.987 0.324 -10.847 403 2HZ LYS 55 2HZ LYS 55 14.053 1.921 -11.406 404 3HZ LYS 55 3HZ LYS 55 12.596 1.063 -11.466 405 H LEU 56 H LEU 56 7.579 4.196 -8.535 406 HA LEU 56 HA LEU 56 7.196 1.454 -7.936 407 1HB LEU 56 2HB LEU 56 5.808 3.901 -6.837 408 2HB LEU 56 1HB LEU 56 5.696 2.294 -6.149 409 HG LEU 56 HG LEU 56 8.239 3.905 -6.363 410 1HD1 LEU 56 1HD1 LEU 56 6.639 4.900 -4.806 411 2HD1 LEU 56 2HD1 LEU 56 8.011 4.197 -3.953 412 3HD1 LEU 56 3HD1 LEU 56 6.465 3.349 -3.987 413 1HD2 LEU 56 1HD2 LEU 56 7.632 1.303 -4.956 414 2HD2 LEU 56 2HD2 LEU 56 9.153 2.191 -4.873 415 3HD2 LEU 56 3HD2 LEU 56 8.622 1.495 -6.403 416 H LEU 57 H LEU 57 4.926 3.985 -8.983 417 HA LEU 57 HA LEU 57 2.671 2.287 -8.969 418 1HB LEU 57 2HB LEU 57 2.635 4.775 -8.797 419 2HB LEU 57 1HB LEU 57 3.031 4.857 -10.501 420 HG LEU 57 HG LEU 57 0.917 3.810 -11.088 421 1HD1 LEU 57 1HD1 LEU 57 -0.762 3.313 -9.370 422 2HD1 LEU 57 2HD1 LEU 57 0.409 3.715 -8.115 423 3HD1 LEU 57 3HD1 LEU 57 0.686 2.328 -9.166 424 1HD2 LEU 57 1HD2 LEU 57 -0.578 5.585 -10.440 425 2HD2 LEU 57 2HD2 LEU 57 1.022 6.266 -10.743 426 3HD2 LEU 57 3HD2 LEU 57 0.463 6.023 -9.087 427 H LYS 58 H LYS 58 4.869 3.308 -11.561 428 HA LYS 58 HA LYS 58 3.426 2.189 -13.700 429 1HB LYS 58 2HB LYS 58 5.433 3.779 -13.797 430 2HB LYS 58 1HB LYS 58 6.432 2.346 -13.597 431 1HG LYS 58 2HG LYS 58 4.668 1.717 -15.659 432 2HG LYS 58 1HG LYS 58 5.163 3.383 -15.961 433 1HD LYS 58 2HD LYS 58 6.732 2.021 -17.091 434 2HD LYS 58 1HD LYS 58 7.547 2.590 -15.631 435 1HE LYS 58 2HE LYS 58 7.060 0.466 -14.526 436 2HE LYS 58 1HE LYS 58 6.217 -0.101 -15.967 437 1HZ LYS 58 1HZ LYS 58 9.105 0.534 -15.739 438 2HZ LYS 58 2HZ LYS 58 8.326 0.133 -17.190 439 3HZ LYS 58 3HZ LYS 58 8.417 -1.001 -15.931 440 H ALA 59 H ALA 59 5.840 0.821 -11.517 441 HA ALA 59 HA ALA 59 6.224 -1.633 -12.828 442 1HB ALA 59 1HB ALA 59 6.404 -1.033 -9.878 443 2HB ALA 59 2HB ALA 59 7.701 -0.840 -11.056 444 3HB ALA 59 3HB ALA 59 7.077 -2.448 -10.689 445 H VAL 60 H VAL 60 3.913 -0.658 -10.335 446 HA VAL 60 HA VAL 60 2.675 -3.190 -10.068 447 HB VAL 60 HB VAL 60 1.549 -0.445 -9.477 448 1HG1 VAL 60 1HG1 VAL 60 -0.027 -1.627 -8.012 449 2HG1 VAL 60 2HG1 VAL 60 0.610 -3.169 -8.588 450 3HG1 VAL 60 3HG1 VAL 60 -0.224 -2.089 -9.703 451 1HG2 VAL 60 1HG2 VAL 60 2.887 -2.457 -7.666 452 2HG2 VAL 60 2HG2 VAL 60 2.177 -0.923 -7.159 453 3HG2 VAL 60 3HG2 VAL 60 3.586 -0.935 -8.219 454 H VAL 61 H VAL 61 1.768 -0.276 -11.907 455 HA VAL 61 HA VAL 61 -0.564 -1.272 -13.094 456 HB VAL 61 HB VAL 61 1.397 0.751 -14.200 457 1HG1 VAL 61 1HG1 VAL 61 -0.448 1.538 -15.598 458 2HG1 VAL 61 2HG1 VAL 61 -1.462 0.222 -15.005 459 3HG1 VAL 61 3HG1 VAL 61 -0.029 -0.133 -15.970 460 1HG2 VAL 61 1HG2 VAL 61 0.474 1.378 -12.028 461 2HG2 VAL 61 2HG2 VAL 61 -1.159 1.128 -12.644 462 3HG2 VAL 61 3HG2 VAL 61 -0.154 2.416 -13.307 463 H GLU 62 H GLU 62 2.803 -1.547 -14.059 464 HA GLU 62 HA GLU 62 2.453 -2.616 -16.619 465 1HB GLU 62 2HB GLU 62 4.597 -1.783 -15.729 466 2HB GLU 62 1HB GLU 62 4.670 -3.159 -14.640 467 1HG GLU 62 2HG GLU 62 4.821 -4.675 -16.531 468 2HG GLU 62 1HG GLU 62 4.703 -3.309 -17.646 469 H HIS 63 H HIS 63 3.028 -4.325 -13.535 470 HA HIS 63 HA HIS 63 2.659 -6.892 -14.726 471 1HB HIS 63 2HB HIS 63 4.046 -6.532 -12.702 472 2HB HIS 63 1HB HIS 63 2.589 -6.152 -11.794 473 HD1 HIS 63 HD1 HIS 63 3.844 -9.071 -13.924 474 HD2 HIS 63 HD2 HIS 63 1.599 -8.304 -10.500 475 HE1 HIS 63 HE1 HIS 63 3.246 -11.324 -12.978 476 HE2 HIS 63 HE2 HIS 63 1.692 -10.832 -11.055 477 H ALA 64 H ALA 64 0.560 -4.581 -13.176 478 HA ALA 64 HA ALA 64 -1.668 -6.209 -12.712 479 1HB ALA 64 1HB ALA 64 -1.621 -3.311 -13.552 480 2HB ALA 64 2HB ALA 64 -1.526 -3.912 -11.897 481 3HB ALA 64 3HB ALA 64 -2.995 -4.156 -12.843 482 H ARG 65 H ARG 65 -1.012 -4.144 -15.554 483 HA ARG 65 HA ARG 65 -3.113 -5.116 -17.129 484 1HB ARG 65 2HB ARG 65 -0.443 -3.978 -17.980 485 2HB ARG 65 1HB ARG 65 -1.798 -4.254 -19.068 486 1HG ARG 65 2HG ARG 65 -3.152 -2.690 -17.750 487 2HG ARG 65 1HG ARG 65 -1.762 -2.389 -16.707 488 1HD ARG 65 2HD ARG 65 -1.840 -1.886 -19.678 489 2HD ARG 65 1HD ARG 65 -2.075 -0.656 -18.439 490 HE ARG 65 HE ARG 65 0.351 -1.880 -17.893 491 1HH1 ARG 65 2HH1 ARG 65 -1.073 -0.023 -20.493 492 2HH1 ARG 65 1HH1 ARG 65 0.440 0.687 -20.985 493 1HH2 ARG 65 1HH2 ARG 65 2.351 -0.948 -18.547 494 2HH2 ARG 65 2HH2 ARG 65 2.383 0.153 -19.890 495 H GLU 66 H GLU 66 0.147 -6.280 -16.646 496 HA GLU 66 HA GLU 66 0.383 -8.175 -18.645 497 1HB GLU 66 2HB GLU 66 2.169 -7.512 -17.088 498 2HB GLU 66 1HB GLU 66 1.342 -8.349 -15.785 499 1HG GLU 66 2HG GLU 66 1.572 -10.433 -17.279 500 2HG GLU 66 1HG GLU 66 2.779 -9.480 -18.145 501 H ASN 67 H ASN 67 -1.147 -8.501 -15.459 502 HA ASN 67 HA ASN 67 -1.980 -11.233 -16.157 503 1HB ASN 67 2HB ASN 67 -1.729 -9.783 -13.530 504 2HB ASN 67 1HB ASN 67 -2.642 -11.279 -13.668 505 1HD2 ASN 67 1HD2 ASN 67 0.230 -10.672 -15.551 506 2HD2 ASN 67 2HD2 ASN 67 1.239 -11.817 -14.740 507 H ASN 68 H ASN 68 -3.180 -8.374 -16.717 508 HA ASN 68 HA ASN 68 -5.217 -7.413 -16.987 509 1HB ASN 68 2HB ASN 68 -5.560 -9.740 -18.072 510 2HB ASN 68 1HB ASN 68 -6.497 -10.116 -16.629 511 1HD2 ASN 68 1HD2 ASN 68 -7.373 -9.929 -19.396 512 2HD2 ASN 68 2HD2 ASN 68 -8.600 -8.712 -19.443 513 H LEU 69 H LEU 69 -4.151 -7.446 -14.410 514 HA LEU 69 HA LEU 69 -6.321 -7.913 -12.551 515 1HB LEU 69 2HB LEU 69 -3.661 -6.532 -12.143 516 2HB LEU 69 1HB LEU 69 -4.786 -6.975 -10.875 517 HG LEU 69 HG LEU 69 -3.341 -8.927 -12.667 518 1HD1 LEU 69 1HD1 LEU 69 -2.860 -8.193 -9.783 519 2HD1 LEU 69 2HD1 LEU 69 -1.822 -7.777 -11.146 520 3HD1 LEU 69 3HD1 LEU 69 -2.032 -9.465 -10.682 521 1HD2 LEU 69 1HD2 LEU 69 -4.181 -10.616 -11.109 522 2HD2 LEU 69 2HD2 LEU 69 -5.503 -9.761 -11.905 523 3HD2 LEU 69 3HD2 LEU 69 -5.075 -9.372 -10.238 524 H LYS 70 H LYS 70 -7.185 -6.152 -11.225 525 HA LYS 70 HA LYS 70 -7.366 -3.666 -12.792 526 1HB LYS 70 2HB LYS 70 -9.430 -5.033 -11.066 527 2HB LYS 70 1HB LYS 70 -9.626 -3.409 -11.716 528 1HG LYS 70 2HG LYS 70 -9.299 -5.945 -13.314 529 2HG LYS 70 1HG LYS 70 -10.787 -5.013 -13.109 530 1HD LYS 70 2HD LYS 70 -9.841 -3.143 -14.289 531 2HD LYS 70 1HD LYS 70 -8.259 -3.920 -14.341 532 1HE LYS 70 2HE LYS 70 -9.150 -5.670 -15.772 533 2HE LYS 70 1HE LYS 70 -10.753 -4.940 -15.693 534 1HZ LYS 70 1HZ LYS 70 -9.893 -2.977 -16.792 535 2HZ LYS 70 2HZ LYS 70 -9.579 -4.354 -17.739 536 3HZ LYS 70 3HZ LYS 70 -8.337 -3.644 -16.835 537 H ILE 71 H ILE 71 -7.060 -1.733 -11.767 538 HA ILE 71 HA ILE 71 -5.893 -2.019 -9.094 539 HB ILE 71 HB ILE 71 -5.399 0.092 -11.192 540 1HG1 ILE 71 2HG1 ILE 71 -3.665 -2.154 -10.141 541 2HG1 ILE 71 1HG1 ILE 71 -4.404 -2.072 -11.737 542 1HG2 ILE 71 1HG2 ILE 71 -3.664 0.947 -9.713 543 2HG2 ILE 71 2HG2 ILE 71 -4.095 -0.248 -8.492 544 3HG2 ILE 71 3HG2 ILE 71 -5.241 1.020 -8.928 545 1HD1 ILE 71 1HD1 ILE 71 -2.027 -1.518 -11.788 546 2HD1 ILE 71 2HD1 ILE 71 -2.317 -0.177 -10.681 547 3HD1 ILE 71 3HD1 ILE 71 -3.026 -0.157 -12.296 548 H ILE 72 H ILE 72 -6.872 -1.209 -7.435 549 HA ILE 72 HA ILE 72 -8.341 1.318 -7.724 550 HB ILE 72 HB ILE 72 -9.856 0.602 -5.873 551 1HG1 ILE 72 2HG1 ILE 72 -8.750 -2.160 -6.428 552 2HG1 ILE 72 1HG1 ILE 72 -8.401 -1.207 -4.989 553 1HG2 ILE 72 1HG2 ILE 72 -11.306 -0.814 -7.265 554 2HG2 ILE 72 2HG2 ILE 72 -9.966 -1.061 -8.384 555 3HG2 ILE 72 3HG2 ILE 72 -10.637 0.553 -8.158 556 1HD1 ILE 72 1HD1 ILE 72 -11.106 -2.229 -5.825 557 2HD1 ILE 72 2HD1 ILE 72 -10.770 -1.248 -4.399 558 3HD1 ILE 72 3HD1 ILE 72 -10.092 -2.871 -4.531 559 H ALA 73 H ALA 73 -8.392 2.524 -5.585 560 HA ALA 73 HA ALA 73 -6.045 1.841 -3.965 561 1HB ALA 73 1HB ALA 73 -5.322 3.427 -5.683 562 2HB ALA 73 2HB ALA 73 -5.222 4.120 -4.064 563 3HB ALA 73 3HB ALA 73 -6.547 4.573 -5.136 564 H SER 74 H SER 74 -6.270 2.170 -1.852 565 HA SER 74 HA SER 74 -8.591 3.715 -0.920 566 1HB SER 74 2HB SER 74 -6.832 1.760 0.592 567 2HB SER 74 1HB SER 74 -8.247 2.588 1.248 568 HG SER 74 HG SER 74 -8.316 0.892 -1.033 569 H CYS 75 H CYS 75 -5.206 3.734 -1.234 570 HA CYS 75 HA CYS 75 -4.652 5.662 0.813 571 1HB CYS 75 2HB CYS 75 -2.907 4.142 -0.043 572 2HB CYS 75 1HB CYS 75 -3.043 4.889 -1.632 573 HG CYS 75 HG CYS 75 -2.272 6.841 1.038 574 H SER 76 H SER 76 -4.895 7.804 0.706 575 HA SER 76 HA SER 76 -6.325 9.029 -1.379 576 1HB SER 76 2HB SER 76 -5.607 11.163 -0.151 577 2HB SER 76 1HB SER 76 -6.525 9.974 0.776 578 HG SER 76 HG SER 76 -4.901 10.092 2.109 579 H PHE 77 H PHE 77 -2.895 9.000 -0.577 580 HA PHE 77 HA PHE 77 -2.031 10.883 -2.471 581 1HB PHE 77 2HB PHE 77 -0.640 10.110 -0.588 582 2HB PHE 77 1HB PHE 77 -0.518 8.520 -1.332 583 HD1 PHE 77 HD1 PHE 77 1.104 8.067 -2.970 584 HD2 PHE 77 HD2 PHE 77 0.372 12.087 -1.766 585 HE1 PHE 77 HE1 PHE 77 3.099 8.796 -4.206 586 HE2 PHE 77 HE2 PHE 77 2.370 12.821 -3.004 587 HZ PHE 77 HZ PHE 77 3.735 11.176 -4.225 588 H ALA 78 H ALA 78 -2.067 7.324 -2.649 589 HA ALA 78 HA ALA 78 -1.101 7.133 -5.283 590 1HB ALA 78 1HB ALA 78 -1.117 5.261 -3.708 591 2HB ALA 78 2HB ALA 78 -1.908 4.843 -5.229 592 3HB ALA 78 3HB ALA 78 -2.877 5.201 -3.799 593 H LYS 79 H LYS 79 -4.396 7.347 -4.003 594 HA LYS 79 HA LYS 79 -5.782 6.818 -6.374 595 1HB LYS 79 2HB LYS 79 -6.900 6.853 -4.211 596 2HB LYS 79 1HB LYS 79 -6.578 8.573 -4.043 597 1HG LYS 79 2HG LYS 79 -8.093 9.128 -5.764 598 2HG LYS 79 1HG LYS 79 -8.226 7.448 -6.289 599 1HD LYS 79 2HD LYS 79 -9.181 8.570 -3.655 600 2HD LYS 79 1HD LYS 79 -10.201 8.133 -5.029 601 1HE LYS 79 2HE LYS 79 -9.332 5.806 -4.844 602 2HE LYS 79 1HE LYS 79 -8.482 6.286 -3.376 603 1HZ LYS 79 1HZ LYS 79 -10.655 6.886 -2.414 604 2HZ LYS 79 2HZ LYS 79 -10.536 5.245 -2.809 605 3HZ LYS 79 3HZ LYS 79 -11.422 6.284 -3.811 606 H HIS 80 H HIS 80 -4.775 9.951 -5.002 607 HA HIS 80 HA HIS 80 -5.826 11.449 -7.178 608 1HB HIS 80 2HB HIS 80 -3.826 12.174 -5.034 609 2HB HIS 80 1HB HIS 80 -4.413 13.317 -6.238 610 HD1 HIS 80 HD1 HIS 80 -4.998 12.561 -2.883 611 HD2 HIS 80 HD2 HIS 80 -7.516 13.102 -6.154 612 HE1 HIS 80 HE1 HIS 80 -7.256 13.097 -1.924 613 HE2 HIS 80 HE2 HIS 80 -8.737 13.532 -3.910 614 H MET 81 H MET 81 -2.810 9.827 -6.624 615 HA MET 81 HA MET 81 -1.359 11.117 -8.712 616 1HB MET 81 2HB MET 81 -0.243 9.952 -6.862 617 2HB MET 81 1HB MET 81 -0.932 8.427 -7.399 618 1HG MET 81 2HG MET 81 0.404 8.387 -9.336 619 2HG MET 81 1HG MET 81 0.866 10.077 -9.144 620 1HE MET 81 1HE MET 81 0.649 7.534 -6.187 621 2HE MET 81 2HE MET 81 2.272 6.845 -6.156 622 3HE MET 81 3HE MET 81 1.182 6.471 -7.489 623 H LEU 82 H LEU 82 -3.357 8.226 -8.476 624 HA LEU 82 HA LEU 82 -2.987 7.362 -11.158 625 1HB LEU 82 2HB LEU 82 -5.161 6.847 -9.133 626 2HB LEU 82 1HB LEU 82 -5.150 6.111 -10.723 627 HG LEU 82 HG LEU 82 -2.904 5.768 -8.736 628 1HD1 LEU 82 1HD1 LEU 82 -5.251 3.948 -9.273 629 2HD1 LEU 82 2HD1 LEU 82 -4.971 4.868 -7.793 630 3HD1 LEU 82 3HD1 LEU 82 -3.862 3.576 -8.251 631 1HD2 LEU 82 1HD2 LEU 82 -2.314 3.878 -10.156 632 2HD2 LEU 82 2HD2 LEU 82 -2.333 5.375 -11.088 633 3HD2 LEU 82 3HD2 LEU 82 -3.673 4.235 -11.221 634 H GLU 83 H GLU 83 -5.346 9.453 -9.558 635 HA GLU 83 HA GLU 83 -7.001 9.849 -11.823 636 1HB GLU 83 2HB GLU 83 -6.585 11.572 -9.375 637 2HB GLU 83 1HB GLU 83 -7.835 11.847 -10.579 638 1HG GLU 83 2HG GLU 83 -8.753 9.603 -10.058 639 2HG GLU 83 1HG GLU 83 -7.561 9.464 -8.765 640 H LYS 84 H LYS 84 -3.999 11.270 -10.799 641 HA LYS 84 HA LYS 84 -4.217 13.739 -12.138 642 1HB LYS 84 2HB LYS 84 -2.564 13.246 -10.342 643 2HB LYS 84 1HB LYS 84 -1.687 12.219 -11.465 644 1HG LYS 84 2HG LYS 84 -2.194 15.121 -12.059 645 2HG LYS 84 1HG LYS 84 -0.829 14.600 -11.072 646 1HD LYS 84 2HD LYS 84 0.341 14.016 -12.883 647 2HD LYS 84 1HD LYS 84 -0.996 13.040 -13.497 648 1HE LYS 84 2HE LYS 84 -2.039 15.142 -14.348 649 2HE LYS 84 1HE LYS 84 -0.577 16.005 -13.869 650 1HZ LYS 84 1HZ LYS 84 -0.526 15.438 -16.208 651 2HZ LYS 84 2HZ LYS 84 -0.727 13.794 -15.861 652 3HZ LYS 84 3HZ LYS 84 0.692 14.592 -15.387 653 H GLU 85 H GLU 85 -2.416 10.799 -13.116 654 HA GLU 85 HA GLU 85 -1.902 12.060 -15.671 655 1HB GLU 85 2HB GLU 85 -0.197 10.692 -14.351 656 2HB GLU 85 1HB GLU 85 -1.089 9.274 -14.885 657 1HG GLU 85 2HG GLU 85 0.817 9.679 -16.321 658 2HG GLU 85 1HG GLU 85 -0.692 9.885 -17.210 659 H ASP 86 H ASP 86 -2.764 11.533 -17.565 660 HA ASP 86 HA ASP 86 -5.379 10.553 -17.571 661 1HB ASP 86 2HB ASP 86 -4.388 12.170 -19.213 662 2HB ASP 86 1HB ASP 86 -3.573 10.809 -19.978 663 H SER 87 H SER 87 -2.342 8.973 -18.348 664 HA SER 87 HA SER 87 -3.463 6.754 -19.692 665 1HB SER 87 2HB SER 87 -1.152 5.747 -19.197 666 2HB SER 87 1HB SER 87 -1.212 7.213 -20.176 667 HG SER 87 HG SER 87 0.092 8.009 -18.738 668 H TYR 88 H TYR 88 -2.957 7.442 -16.318 669 HA TYR 88 HA TYR 88 -3.002 4.692 -15.497 670 1HB TYR 88 2HB TYR 88 -3.154 7.271 -13.944 671 2HB TYR 88 1HB TYR 88 -3.255 5.690 -13.177 672 HD1 TYR 88 HD1 TYR 88 -1.104 8.212 -13.417 673 HD2 TYR 88 HD2 TYR 88 -1.248 4.098 -14.508 674 HE1 TYR 88 HE1 TYR 88 1.348 8.105 -13.322 675 HE2 TYR 88 HE2 TYR 88 1.208 3.986 -14.410 676 HH TYR 88 HH TYR 88 3.128 5.502 -14.568 677 H GLN 89 H GLN 89 -5.388 6.889 -16.426 678 HA GLN 89 HA GLN 89 -7.466 5.930 -14.689 679 1HB GLN 89 2HB GLN 89 -7.660 7.539 -17.240 680 2HB GLN 89 1HB GLN 89 -8.977 7.252 -16.112 681 1HG GLN 89 2HG GLN 89 -7.620 8.405 -14.359 682 2HG GLN 89 1HG GLN 89 -6.469 8.835 -15.623 683 1HE2 GLN 89 1HE2 GLN 89 -7.106 10.282 -17.239 684 2HE2 GLN 89 2HE2 GLN 89 -8.452 11.339 -17.037 685 H ASP 90 H ASP 90 -5.875 4.460 -17.126 686 HA ASP 90 HA ASP 90 -8.094 3.088 -18.353 687 1HB ASP 90 2HB ASP 90 -6.025 3.396 -19.622 688 2HB ASP 90 1HB ASP 90 -5.123 2.500 -18.404 689 H VAL 91 H VAL 91 -5.551 2.288 -16.023 690 HA VAL 91 HA VAL 91 -6.701 -0.315 -15.511 691 HB VAL 91 HB VAL 91 -4.867 -0.541 -13.841 692 1HG1 VAL 91 1HG1 VAL 91 -3.043 -0.614 -15.486 693 2HG1 VAL 91 2HG1 VAL 91 -4.029 0.327 -16.606 694 3HG1 VAL 91 3HG1 VAL 91 -4.541 -1.291 -16.130 695 1HG2 VAL 91 1HG2 VAL 91 -4.084 2.199 -14.831 696 2HG2 VAL 91 2HG2 VAL 91 -3.087 1.159 -13.813 697 3HG2 VAL 91 3HG2 VAL 91 -4.616 1.787 -13.199 698 H TYR 92 H TYR 92 -6.935 2.850 -14.228 699 HA TYR 92 HA TYR 92 -7.997 1.915 -11.686 700 1HB TYR 92 2HB TYR 92 -6.497 3.943 -11.865 701 2HB TYR 92 1HB TYR 92 -7.819 4.759 -12.693 702 HD1 TYR 92 HD1 TYR 92 -9.169 6.119 -11.404 703 HD2 TYR 92 HD2 TYR 92 -7.254 2.797 -9.563 704 HE1 TYR 92 HE1 TYR 92 -10.104 6.791 -9.228 705 HE2 TYR 92 HE2 TYR 92 -8.184 3.453 -7.388 706 HH TYR 92 HH TYR 92 -10.683 5.645 -7.034 707 H LEU 93 H LEU 93 -10.000 1.225 -11.682 708 HA LEU 93 HA LEU 93 -11.858 1.818 -13.751 709 1HB LEU 93 2HB LEU 93 -12.217 0.423 -11.097 710 2HB LEU 93 1HB LEU 93 -13.476 0.549 -12.307 711 HG LEU 93 HG LEU 93 -11.899 -0.675 -13.887 712 1HD1 LEU 93 1HD1 LEU 93 -9.836 -0.310 -12.631 713 2HD1 LEU 93 2HD1 LEU 93 -10.157 -2.028 -12.873 714 3HD1 LEU 93 3HD1 LEU 93 -10.473 -1.282 -11.305 715 1HD2 LEU 93 1HD2 LEU 93 -13.830 -1.740 -12.869 716 2HD2 LEU 93 2HD2 LEU 93 -12.890 -2.090 -11.419 717 3HD2 LEU 93 3HD2 LEU 93 -12.471 -2.864 -12.947 718 H GLY 94 H GLY 94 -11.544 2.853 -10.385 719 1HA GLY 94 2HA GLY 94 -12.402 4.699 -9.316 720 2HA GLY 94 1HA GLY 94 -12.933 5.289 -10.884 721 H LEU 95 H LEU 95 -13.955 2.139 -9.927 722 HA LEU 95 HA LEU 95 -16.707 2.996 -9.916 723 1HB LEU 95 2HB LEU 95 -15.492 0.266 -9.482 724 2HB LEU 95 1HB LEU 95 -17.210 0.588 -9.619 725 HG LEU 95 HG LEU 95 -15.158 1.038 -11.789 726 1HD1 LEU 95 1HD1 LEU 95 -16.274 -0.797 -12.931 727 2HD1 LEU 95 2HD1 LEU 95 -17.340 -1.021 -11.544 728 3HD1 LEU 95 3HD1 LEU 95 -15.610 -1.322 -11.384 729 1HD2 LEU 95 1HD2 LEU 95 -16.959 2.673 -11.899 730 2HD2 LEU 95 2HD2 LEU 95 -18.153 1.376 -11.834 731 3HD2 LEU 95 3HD2 LEU 95 -17.076 1.515 -13.224 732 H GLU 96 H GLU 96 -16.153 4.399 -8.031 733 HA GLU 96 HA GLU 96 -16.460 2.952 -5.473 734 1HB GLU 96 2HB GLU 96 -15.344 5.731 -5.921 735 2HB GLU 96 1HB GLU 96 -15.355 4.827 -4.411 736 1HG GLU 96 2HG GLU 96 -13.617 3.483 -5.041 737 2HG GLU 96 1HG GLU 96 -13.957 3.663 -6.764 738 H HIS 97 H HIS 97 -17.023 6.185 -6.806 739 HA HIS 97 HA HIS 97 -19.605 6.267 -5.433 740 1HB HIS 97 2HB HIS 97 -19.514 8.726 -5.868 741 2HB HIS 97 1HB HIS 97 -18.203 8.140 -4.854 742 HD1 HIS 97 HD1 HIS 97 -15.842 8.605 -5.641 743 HD2 HIS 97 HD2 HIS 97 -18.706 9.426 -8.544 744 HE1 HIS 97 HE1 HIS 97 -14.609 9.762 -7.499 745 HE2 HIS 97 HE2 HIS 97 -16.332 10.135 -9.299 746 H HIS 98 H HIS 98 -21.497 6.615 -6.518 747 HA HIS 98 HA HIS 98 -21.476 5.905 -9.314 748 1HB HIS 98 2HB HIS 98 -23.730 6.512 -7.399 749 2HB HIS 98 1HB HIS 98 -23.968 6.037 -9.078 750 HD1 HIS 98 HD1 HIS 98 -23.678 4.660 -5.760 751 HD2 HIS 98 HD2 HIS 98 -22.778 3.375 -9.614 752 HE1 HIS 98 HE1 HIS 98 -23.438 2.163 -5.606 753 HE2 HIS 98 HE2 HIS 98 -23.105 1.395 -7.986 754 H HIS 99 H HIS 99 -21.734 7.177 -11.000 755 HA HIS 99 HA HIS 99 -21.558 10.028 -10.606 756 1HB HIS 99 2HB HIS 99 -20.304 8.670 -12.368 757 2HB HIS 99 1HB HIS 99 -21.830 8.559 -13.234 758 HD1 HIS 99 HD1 HIS 99 -21.032 9.904 -15.242 759 HD2 HIS 99 HD2 HIS 99 -20.682 11.941 -11.629 760 HE1 HIS 99 HE1 HIS 99 -20.493 12.290 -15.851 761 HE2 HIS 99 HE2 HIS 99 -20.130 13.462 -13.648 762 H HIS 100 H HIS 100 -23.620 8.286 -12.936 763 HA HIS 100 HA HIS 100 -25.730 10.240 -12.526 764 1HB HIS 100 2HB HIS 100 -25.408 7.887 -14.382 765 2HB HIS 100 1HB HIS 100 -26.952 8.712 -14.211 766 HD1 HIS 100 HD1 HIS 100 -27.316 10.434 -15.935 767 HD2 HIS 100 HD2 HIS 100 -23.274 9.932 -15.077 768 HE1 HIS 100 HE1 HIS 100 -26.092 11.991 -17.485 769 HE2 HIS 100 HE2 HIS 100 -23.659 11.755 -16.877 770 H HIS 101 H HIS 101 -27.293 10.023 -11.076 771 HA HIS 101 HA HIS 101 -28.393 7.435 -10.441 772 1HB HIS 101 2HB HIS 101 -28.006 7.591 -8.019 773 2HB HIS 101 1HB HIS 101 -26.494 7.479 -8.905 774 HD1 HIS 101 HD1 HIS 101 -25.051 9.713 -9.043 775 HD2 HIS 101 HD2 HIS 101 -28.297 9.822 -6.445 776 HE1 HIS 101 HE1 HIS 101 -24.642 11.673 -7.528 777 HE2 HIS 101 HE2 HIS 101 -26.719 11.844 -6.112 778 H HIS 102 HN HIS 102 -30.060 7.820 -8.519 779 HA HIS 102 HA HIS 102 -31.417 10.365 -9.076 780 1HB HIS 102 2HB HIS 102 -33.575 9.250 -8.883 781 2HB HIS 102 1HB HIS 102 -32.613 8.483 -10.138 782 HD1 HIS 102 HD1 HIS 102 -31.611 6.089 -9.542 783 HD2 HIS 102 HD2 HIS 102 -34.414 7.600 -6.864 784 HE1 HIS 102 HE1 HIS 102 -32.366 4.125 -8.167 785 HE2 HIS 102 HE2 HIS 102 -33.960 5.083 -6.462 Start of MODEL 15 1 1H MET 1 1H MET 1 27.218 7.856 -4.681 2 2H MET 1 2H MET 1 26.783 6.228 -4.843 3 3H MET 1 3H MET 1 26.485 7.040 -3.385 4 HA MET 1 HA MET 1 24.979 8.555 -4.596 5 1HB MET 1 2HB MET 1 25.430 6.499 -6.769 6 2HB MET 1 1HB MET 1 24.116 7.666 -6.779 7 1HG MET 1 2HG MET 1 27.054 8.331 -6.807 8 2HG MET 1 1HG MET 1 25.978 8.347 -8.203 9 1HE MET 1 1HE MET 1 26.628 10.820 -8.815 10 2HE MET 1 2HE MET 1 27.768 10.843 -7.468 11 3HE MET 1 3HE MET 1 26.609 12.158 -7.663 12 H SER 2 H SER 2 22.737 8.082 -4.498 13 HA SER 2 HA SER 2 22.183 5.751 -2.883 14 1HB SER 2 2HB SER 2 20.344 7.956 -3.856 15 2HB SER 2 1HB SER 2 19.944 6.746 -2.638 16 HG SER 2 HG SER 2 21.415 9.048 -2.407 17 H ASN 3 H ASN 3 21.884 3.865 -3.851 18 HA ASN 3 HA ASN 3 20.945 3.697 -6.563 19 1HB ASN 3 2HB ASN 3 21.104 1.193 -6.136 20 2HB ASN 3 1HB ASN 3 22.603 2.104 -6.006 21 1HD2 ASN 3 1HD2 ASN 3 20.268 0.203 -4.357 22 2HD2 ASN 3 2HD2 ASN 3 21.083 0.110 -2.836 23 H LEU 4 H LEU 4 18.901 4.248 -6.838 24 HA LEU 4 HA LEU 4 16.873 3.553 -4.891 25 1HB LEU 4 2HB LEU 4 16.583 4.974 -7.539 26 2HB LEU 4 1HB LEU 4 15.399 4.925 -6.246 27 HG LEU 4 HG LEU 4 18.123 6.202 -5.996 28 1HD1 LEU 4 1HD1 LEU 4 16.945 8.337 -6.166 29 2HD1 LEU 4 2HD1 LEU 4 15.443 7.480 -6.510 30 3HD1 LEU 4 3HD1 LEU 4 16.789 7.388 -7.645 31 1HD2 LEU 4 1HD2 LEU 4 17.202 5.472 -3.871 32 2HD2 LEU 4 2HD2 LEU 4 15.678 6.286 -4.228 33 3HD2 LEU 4 3HD2 LEU 4 17.148 7.232 -3.988 34 H GLU 5 H GLU 5 17.223 1.227 -5.271 35 HA GLU 5 HA GLU 5 16.073 0.235 -7.784 36 1HB GLU 5 2HB GLU 5 18.398 -0.466 -6.681 37 2HB GLU 5 1HB GLU 5 17.365 -1.567 -5.785 38 1HG GLU 5 2HG GLU 5 17.405 -1.419 -8.786 39 2HG GLU 5 1HG GLU 5 18.442 -2.492 -7.852 40 H ILE 6 H ILE 6 14.138 -0.777 -7.789 41 HA ILE 6 HA ILE 6 12.416 -0.567 -5.570 42 HB ILE 6 HB ILE 6 12.083 -2.325 -8.008 43 1HG1 ILE 6 2HG1 ILE 6 11.101 0.495 -7.498 44 2HG1 ILE 6 1HG1 ILE 6 12.428 0.060 -8.572 45 1HG2 ILE 6 1HG2 ILE 6 10.586 -2.964 -6.204 46 2HG2 ILE 6 2HG2 ILE 6 9.684 -2.190 -7.506 47 3HG2 ILE 6 3HG2 ILE 6 10.047 -1.294 -6.031 48 1HD1 ILE 6 1HD1 ILE 6 10.411 0.487 -9.835 49 2HD1 ILE 6 2HD1 ILE 6 9.540 -0.729 -8.901 50 3HD1 ILE 6 3HD1 ILE 6 10.861 -1.213 -9.966 51 H LYS 7 H LYS 7 12.594 -1.723 -3.749 52 HA LYS 7 HA LYS 7 13.566 -4.466 -3.848 53 1HB LYS 7 2HB LYS 7 12.714 -2.749 -1.509 54 2HB LYS 7 1HB LYS 7 13.411 -4.356 -1.383 55 1HG LYS 7 2HG LYS 7 14.861 -2.100 -2.726 56 2HG LYS 7 1HG LYS 7 14.934 -2.349 -0.984 57 1HD LYS 7 2HD LYS 7 16.677 -3.686 -1.416 58 2HD LYS 7 1HD LYS 7 15.479 -4.854 -1.969 59 1HE LYS 7 2HE LYS 7 16.680 -2.792 -3.799 60 2HE LYS 7 1HE LYS 7 17.437 -4.358 -3.523 61 1HZ LYS 7 1HZ LYS 7 16.075 -4.398 -5.503 62 2HZ LYS 7 2HZ LYS 7 14.718 -3.906 -4.622 63 3HZ LYS 7 3HZ LYS 7 15.408 -5.422 -4.324 64 H GLN 8 H GLN 8 12.165 -6.029 -4.285 65 HA GLN 8 HA GLN 8 9.328 -5.488 -4.045 66 1HB GLN 8 2HB GLN 8 10.095 -6.492 -6.104 67 2HB GLN 8 1HB GLN 8 10.814 -7.835 -5.225 68 1HG GLN 8 2HG GLN 8 8.624 -8.578 -4.509 69 2HG GLN 8 1HG GLN 8 7.875 -7.196 -5.306 70 1HE2 GLN 8 1HE2 GLN 8 6.608 -8.522 -6.591 71 2HE2 GLN 8 2HE2 GLN 8 7.252 -9.414 -7.929 72 H GLY 9 H GLY 9 8.243 -5.944 -2.302 73 1HA GLY 9 2HA GLY 9 8.938 -8.392 -0.808 74 2HA GLY 9 1HA GLY 9 8.187 -6.975 -0.079 75 H GLU 10 H GLU 10 6.911 -9.255 0.350 76 HA GLU 10 HA GLU 10 5.113 -10.137 -1.608 77 1HB GLU 10 2HB GLU 10 4.529 -10.117 1.348 78 2HB GLU 10 1HB GLU 10 3.956 -11.258 0.143 79 1HG GLU 10 2HG GLU 10 5.569 -12.500 1.171 80 2HG GLU 10 1HG GLU 10 6.507 -11.782 -0.137 81 H ASN 11 H ASN 11 3.940 -8.673 -2.682 82 HA ASN 11 HA ASN 11 2.246 -7.253 -3.169 83 1HB ASN 11 2HB ASN 11 1.420 -7.916 -0.343 84 2HB ASN 11 1HB ASN 11 0.470 -6.878 -1.399 85 1HD2 ASN 11 1HD2 ASN 11 -1.274 -8.237 -1.431 86 2HD2 ASN 11 2HD2 ASN 11 -1.267 -9.759 -2.250 87 H LYS 12 H LYS 12 4.801 -6.362 -1.850 88 HA LYS 12 HA LYS 12 3.944 -3.626 -1.308 89 1HB LYS 12 2HB LYS 12 5.496 -3.540 0.681 90 2HB LYS 12 1HB LYS 12 4.031 -4.485 0.912 91 1HG LYS 12 2HG LYS 12 5.329 -6.537 0.473 92 2HG LYS 12 1HG LYS 12 6.789 -5.557 0.348 93 1HD LYS 12 2HD LYS 12 6.537 -4.841 2.653 94 2HD LYS 12 1HD LYS 12 5.017 -5.731 2.786 95 1HE LYS 12 2HE LYS 12 6.220 -7.825 2.348 96 2HE LYS 12 1HE LYS 12 7.733 -6.926 2.251 97 1HZ LYS 12 1HZ LYS 12 7.510 -6.298 4.550 98 2HZ LYS 12 2HZ LYS 12 7.385 -7.988 4.418 99 3HZ LYS 12 3HZ LYS 12 5.991 -7.054 4.653 100 H PHE 13 H PHE 13 5.049 -2.398 -2.669 101 HA PHE 13 HA PHE 13 7.811 -3.150 -3.338 102 1HB PHE 13 2HB PHE 13 5.911 -1.200 -4.661 103 2HB PHE 13 1HB PHE 13 7.599 -1.389 -5.123 104 HD1 PHE 13 HD1 PHE 13 8.205 -4.046 -5.432 105 HD2 PHE 13 HD2 PHE 13 4.422 -2.202 -6.060 106 HE1 PHE 13 HE1 PHE 13 7.586 -5.854 -6.984 107 HE2 PHE 13 HE2 PHE 13 3.790 -4.008 -7.609 108 HZ PHE 13 HZ PHE 13 5.377 -5.834 -8.072 109 H TYR 14 H TYR 14 9.286 -2.266 -2.069 110 HA TYR 14 HA TYR 14 8.853 0.496 -1.157 111 1HB TYR 14 2HB TYR 14 9.966 -0.100 0.980 112 2HB TYR 14 1HB TYR 14 8.457 -0.970 0.738 113 HD1 TYR 14 HD1 TYR 14 8.550 -3.387 0.021 114 HD2 TYR 14 HD2 TYR 14 12.004 -1.253 1.298 115 HE1 TYR 14 HE1 TYR 14 9.712 -5.518 0.416 116 HE2 TYR 14 HE2 TYR 14 13.176 -3.379 1.695 117 HH TYR 14 HH TYR 14 12.455 -5.809 2.227 118 H ILE 15 H ILE 15 10.651 1.816 -1.048 119 HA ILE 15 HA ILE 15 13.170 0.646 -2.015 120 HB ILE 15 HB ILE 15 11.938 3.273 -2.844 121 1HG1 ILE 15 2HG1 ILE 15 12.885 0.834 -4.364 122 2HG1 ILE 15 1HG1 ILE 15 11.212 1.305 -4.098 123 1HG2 ILE 15 1HG2 ILE 15 14.015 3.700 -4.098 124 2HG2 ILE 15 2HG2 ILE 15 14.751 2.294 -3.330 125 3HG2 ILE 15 3HG2 ILE 15 14.282 3.686 -2.355 126 1HD1 ILE 15 1HD1 ILE 15 11.454 3.205 -5.515 127 2HD1 ILE 15 2HD1 ILE 15 12.079 1.795 -6.369 128 3HD1 ILE 15 3HD1 ILE 15 13.193 2.953 -5.644 129 H GLY 16 H GLY 16 14.757 0.845 -0.668 130 1HA GLY 16 2HA GLY 16 15.652 3.057 0.682 131 2HA GLY 16 1HA GLY 16 14.514 2.284 1.781 132 H ASP 17 H ASP 17 16.777 2.250 2.928 133 HA ASP 17 HA ASP 17 18.441 0.045 2.025 134 1HB ASP 17 2HB ASP 17 19.993 0.662 3.729 135 2HB ASP 17 1HB ASP 17 19.418 2.153 2.996 136 H ASP 18 H ASP 18 15.952 0.657 4.355 137 HA ASP 18 HA ASP 18 15.941 -2.191 5.011 138 1HB ASP 18 2HB ASP 18 17.142 -0.954 6.840 139 2HB ASP 18 1HB ASP 18 15.674 -0.022 7.109 140 H GLU 19 H GLU 19 13.850 -2.988 5.426 141 HA GLU 19 HA GLU 19 11.792 -1.628 4.050 142 1HB GLU 19 2HB GLU 19 12.013 -4.120 4.350 143 2HB GLU 19 1HB GLU 19 11.431 -3.906 5.994 144 1HG GLU 19 2HG GLU 19 9.347 -2.949 5.117 145 2HG GLU 19 1HG GLU 19 9.933 -3.223 3.477 146 H ASN 20 H ASN 20 12.670 -1.787 7.431 147 HA ASN 20 HA ASN 20 10.219 -0.823 8.498 148 1HB ASN 20 2HB ASN 20 11.867 -1.983 9.888 149 2HB ASN 20 1HB ASN 20 13.028 -0.688 9.626 150 1HD2 ASN 20 1HD2 ASN 20 9.565 -0.391 10.285 151 2HD2 ASN 20 2HD2 ASN 20 9.758 0.444 11.791 152 H ASN 21 H ASN 21 13.073 0.751 7.190 153 HA ASN 21 HA ASN 21 11.772 3.344 7.689 154 1HB ASN 21 2HB ASN 21 14.093 4.324 7.839 155 2HB ASN 21 1HB ASN 21 13.630 3.288 9.183 156 1HD2 ASN 21 1HD2 ASN 21 14.669 1.336 9.475 157 2HD2 ASN 21 2HD2 ASN 21 16.119 0.921 8.633 158 H ALA 22 H ALA 22 11.267 1.935 5.429 159 HA ALA 22 HA ALA 22 12.922 2.604 3.237 160 1HB ALA 22 1HB ALA 22 11.245 0.819 3.135 161 2HB ALA 22 2HB ALA 22 11.011 2.003 1.848 162 3HB ALA 22 3HB ALA 22 9.961 2.022 3.265 163 H LEU 23 H LEU 23 12.770 4.280 1.744 164 HA LEU 23 HA LEU 23 11.824 6.765 2.853 165 1HB LEU 23 2HB LEU 23 13.141 6.175 0.200 166 2HB LEU 23 1HB LEU 23 12.830 7.778 0.838 167 HG LEU 23 HG LEU 23 14.709 5.725 2.012 168 1HD1 LEU 23 1HD1 LEU 23 15.565 6.762 -0.008 169 2HD1 LEU 23 2HD1 LEU 23 16.437 7.359 1.406 170 3HD1 LEU 23 3HD1 LEU 23 15.206 8.363 0.639 171 1HD2 LEU 23 1HD2 LEU 23 14.089 8.530 2.934 172 2HD2 LEU 23 2HD2 LEU 23 15.318 7.461 3.610 173 3HD2 LEU 23 3HD2 LEU 23 13.610 7.045 3.756 174 H ALA 24 H ALA 24 10.798 4.471 0.474 175 HA ALA 24 HA ALA 24 8.227 5.794 0.304 176 1HB ALA 24 1HB ALA 24 8.189 5.861 -2.138 177 2HB ALA 24 2HB ALA 24 9.863 5.306 -2.181 178 3HB ALA 24 3HB ALA 24 9.475 6.883 -1.495 179 H GLU 25 H GLU 25 6.660 4.278 0.291 180 HA GLU 25 HA GLU 25 7.229 1.708 -0.970 181 1HB GLU 25 2HB GLU 25 6.548 0.379 0.872 182 2HB GLU 25 1HB GLU 25 7.733 1.516 1.489 183 1HG GLU 25 2HG GLU 25 4.762 1.889 1.749 184 2HG GLU 25 1HG GLU 25 5.765 1.110 2.966 185 H ILE 26 H ILE 26 5.506 0.670 -1.819 186 HA ILE 26 HA ILE 26 2.852 1.884 -1.464 187 HB ILE 26 HB ILE 26 3.626 2.722 -3.579 188 1HG1 ILE 26 2HG1 ILE 26 1.779 0.389 -4.103 189 2HG1 ILE 26 1HG1 ILE 26 1.272 1.943 -3.451 190 1HG2 ILE 26 1HG2 ILE 26 4.261 -0.128 -4.324 191 2HG2 ILE 26 2HG2 ILE 26 5.426 1.159 -4.009 192 3HG2 ILE 26 3HG2 ILE 26 4.355 1.260 -5.409 193 1HD1 ILE 26 1HD1 ILE 26 2.492 1.477 -6.163 194 2HD1 ILE 26 2HD1 ILE 26 1.996 3.039 -5.510 195 3HD1 ILE 26 3HD1 ILE 26 0.790 1.790 -5.822 196 H THR 27 H THR 27 1.334 0.431 -0.938 197 HA THR 27 HA THR 27 2.010 -2.413 -1.300 198 HB THR 27 HB THR 27 0.454 -2.757 0.698 199 HG1 THR 27 HG1 THR 27 0.602 -0.712 2.066 200 1HG2 THR 27 1HG2 THR 27 3.062 -1.283 1.089 201 2HG2 THR 27 2HG2 THR 27 2.868 -3.021 0.871 202 3HG2 THR 27 3HG2 THR 27 2.238 -2.241 2.321 203 H TYR 28 H TYR 28 0.533 -3.786 -2.129 204 HA TYR 28 HA TYR 28 -2.118 -2.691 -2.767 205 1HB TYR 28 2HB TYR 28 -2.072 -4.060 -4.866 206 2HB TYR 28 1HB TYR 28 -0.915 -2.736 -4.845 207 HD1 TYR 28 HD1 TYR 28 1.504 -3.209 -4.602 208 HD2 TYR 28 HD2 TYR 28 -1.347 -6.346 -4.980 209 HE1 TYR 28 HE1 TYR 28 3.310 -4.774 -5.170 210 HE2 TYR 28 HE2 TYR 28 0.456 -7.918 -5.548 211 HH TYR 28 HH TYR 28 2.704 -7.916 -6.399 212 H ARG 29 H ARG 29 -3.761 -3.847 -2.024 213 HA ARG 29 HA ARG 29 -3.159 -6.531 -0.961 214 1HB ARG 29 2HB ARG 29 -5.453 -4.739 -0.187 215 2HB ARG 29 1HB ARG 29 -4.906 -6.187 0.639 216 1HG ARG 29 2HG ARG 29 -2.848 -5.065 1.285 217 2HG ARG 29 1HG ARG 29 -3.357 -3.611 0.423 218 1HD ARG 29 2HD ARG 29 -4.765 -4.876 2.773 219 2HD ARG 29 1HD ARG 29 -3.792 -3.407 2.814 220 HE ARG 29 HE ARG 29 -5.522 -2.522 1.178 221 1HH1 ARG 29 2HH1 ARG 29 -6.265 -4.929 3.605 222 2HH1 ARG 29 1HH1 ARG 29 -7.923 -4.445 3.757 223 1HH2 ARG 29 1HH2 ARG 29 -7.723 -1.899 1.357 224 2HH2 ARG 29 2HH2 ARG 29 -8.749 -2.739 2.488 225 H PHE 30 H PHE 30 -4.219 -8.244 -1.744 226 HA PHE 30 HA PHE 30 -6.193 -7.908 -3.824 227 1HB PHE 30 2HB PHE 30 -5.058 -10.352 -2.453 228 2HB PHE 30 1HB PHE 30 -6.316 -10.446 -3.679 229 HD1 PHE 30 HD1 PHE 30 -2.793 -9.611 -3.049 230 HD2 PHE 30 HD2 PHE 30 -5.822 -10.146 -5.987 231 HE1 PHE 30 HE1 PHE 30 -1.075 -9.641 -4.809 232 HE2 PHE 30 HE2 PHE 30 -4.110 -10.174 -7.755 233 HZ PHE 30 HZ PHE 30 -1.731 -9.922 -7.166 234 H VAL 31 H VAL 31 -8.089 -7.118 -3.126 235 HA VAL 31 HA VAL 31 -9.077 -7.953 -0.516 236 HB VAL 31 HB VAL 31 -10.765 -6.128 -0.821 237 1HG1 VAL 31 1HG1 VAL 31 -9.178 -4.330 -0.393 238 2HG1 VAL 31 2HG1 VAL 31 -7.867 -5.323 -1.031 239 3HG1 VAL 31 3HG1 VAL 31 -8.698 -5.805 0.448 240 1HG2 VAL 31 1HG2 VAL 31 -9.100 -5.502 -3.260 241 2HG2 VAL 31 2HG2 VAL 31 -10.334 -4.451 -2.566 242 3HG2 VAL 31 3HG2 VAL 31 -10.788 -6.011 -3.250 243 H ASP 32 H ASP 32 -10.122 -8.003 -3.907 244 HA ASP 32 HA ASP 32 -12.444 -9.580 -3.034 245 1HB ASP 32 2HB ASP 32 -12.860 -7.414 -4.289 246 2HB ASP 32 1HB ASP 32 -12.172 -8.198 -5.703 247 H ASN 33 H ASN 33 -11.062 -9.444 -6.296 248 HA ASN 33 HA ASN 33 -10.352 -12.288 -5.994 249 1HB ASN 33 2HB ASN 33 -11.341 -10.845 -8.463 250 2HB ASN 33 1HB ASN 33 -10.720 -12.489 -8.465 251 1HD2 ASN 33 1HD2 ASN 33 -11.933 -13.164 -5.899 252 2HD2 ASN 33 2HD2 ASN 33 -13.629 -13.324 -6.205 253 H ASN 34 H ASN 34 -9.599 -10.357 -8.803 254 HA ASN 34 HA ASN 34 -6.751 -10.393 -8.059 255 1HB ASN 34 2HB ASN 34 -6.233 -10.223 -10.414 256 2HB ASN 34 1HB ASN 34 -7.379 -11.539 -10.200 257 1HD2 ASN 34 1HD2 ASN 34 -6.736 -9.873 -12.534 258 2HD2 ASN 34 2HD2 ASN 34 -8.232 -9.176 -13.046 259 H GLU 35 H GLU 35 -9.040 -8.579 -7.385 260 HA GLU 35 HA GLU 35 -8.246 -6.048 -8.549 261 1HB GLU 35 2HB GLU 35 -10.385 -6.681 -6.501 262 2HB GLU 35 1HB GLU 35 -10.169 -5.144 -7.335 263 1HG GLU 35 2HG GLU 35 -10.648 -6.209 -9.464 264 2HG GLU 35 1HG GLU 35 -10.811 -7.768 -8.661 265 H ILE 36 H ILE 36 -6.702 -4.888 -7.688 266 HA ILE 36 HA ILE 36 -5.818 -5.558 -4.973 267 HB ILE 36 HB ILE 36 -3.657 -4.482 -5.650 268 1HG1 ILE 36 2HG1 ILE 36 -4.874 -4.609 -8.422 269 2HG1 ILE 36 1HG1 ILE 36 -4.537 -3.132 -7.527 270 1HG2 ILE 36 1HG2 ILE 36 -4.580 -6.863 -7.250 271 2HG2 ILE 36 2HG2 ILE 36 -3.930 -6.890 -5.611 272 3HG2 ILE 36 3HG2 ILE 36 -2.899 -6.414 -6.960 273 1HD1 ILE 36 1HD1 ILE 36 -2.833 -3.560 -9.200 274 2HD1 ILE 36 2HD1 ILE 36 -2.496 -5.130 -8.470 275 3HD1 ILE 36 3HD1 ILE 36 -2.154 -3.650 -7.575 276 H ASN 37 H ASN 37 -6.135 -4.193 -3.424 277 HA ASN 37 HA ASN 37 -6.800 -1.418 -3.994 278 1HB ASN 37 2HB ASN 37 -8.248 -2.568 -2.411 279 2HB ASN 37 1HB ASN 37 -6.861 -3.011 -1.420 280 1HD2 ASN 37 1HD2 ASN 37 -7.437 0.102 -2.966 281 2HD2 ASN 37 2HD2 ASN 37 -7.584 1.002 -1.497 282 H ILE 38 H ILE 38 -5.091 -0.127 -4.237 283 HA ILE 38 HA ILE 38 -2.659 -0.460 -2.751 284 HB ILE 38 HB ILE 38 -3.652 1.935 -4.317 285 1HG1 ILE 38 2HG1 ILE 38 -1.699 -0.251 -5.082 286 2HG1 ILE 38 1HG1 ILE 38 -3.345 -0.097 -5.688 287 1HG2 ILE 38 1HG2 ILE 38 -2.000 2.602 -2.687 288 2HG2 ILE 38 2HG2 ILE 38 -1.278 2.628 -4.299 289 3HG2 ILE 38 3HG2 ILE 38 -0.929 1.297 -3.196 290 1HD1 ILE 38 1HD1 ILE 38 -1.111 1.870 -6.131 291 2HD1 ILE 38 2HD1 ILE 38 -2.758 2.023 -6.742 292 3HD1 ILE 38 3HD1 ILE 38 -1.726 0.708 -7.305 293 H ASP 39 H ASP 39 -3.003 -0.405 -0.611 294 HA ASP 39 HA ASP 39 -4.953 1.423 0.494 295 1HB ASP 39 2HB ASP 39 -4.950 -0.854 1.328 296 2HB ASP 39 1HB ASP 39 -3.267 -0.699 1.829 297 H HIS 40 H HIS 40 -1.496 1.126 0.318 298 HA HIS 40 HA HIS 40 -1.288 3.705 1.664 299 1HB HIS 40 2HB HIS 40 -0.885 2.190 3.480 300 2HB HIS 40 1HB HIS 40 0.213 1.217 2.508 301 HD1 HIS 40 HD1 HIS 40 0.005 4.566 4.252 302 HD2 HIS 40 HD2 HIS 40 2.828 2.053 2.511 303 HE1 HIS 40 HE1 HIS 40 2.249 5.580 4.790 304 HE2 HIS 40 HE2 HIS 40 3.917 4.167 3.517 305 H THR 41 H THR 41 0.058 5.030 0.708 306 HA THR 41 HA THR 41 2.451 4.008 -0.605 307 HB THR 41 HB THR 41 0.665 6.049 -1.949 308 HG1 THR 41 HG1 THR 41 0.663 3.297 -2.009 309 1HG2 THR 41 1HG2 THR 41 3.065 6.269 -2.443 310 2HG2 THR 41 2HG2 THR 41 2.159 5.738 -3.859 311 3HG2 THR 41 3HG2 THR 41 3.114 4.575 -2.938 312 H GLY 42 H GLY 42 3.938 4.937 0.680 313 1HA GLY 42 2HA GLY 42 3.528 7.778 1.382 314 2HA GLY 42 1HA GLY 42 4.247 6.610 2.483 315 H VAL 43 H VAL 43 5.144 9.164 1.043 316 HA VAL 43 HA VAL 43 7.798 8.118 0.343 317 HB VAL 43 HB VAL 43 6.422 10.388 -1.119 318 1HG1 VAL 43 1HG1 VAL 43 8.360 10.302 -2.616 319 2HG1 VAL 43 2HG1 VAL 43 9.082 9.050 -1.605 320 3HG1 VAL 43 3HG1 VAL 43 8.834 10.673 -0.959 321 1HG2 VAL 43 1HG2 VAL 43 5.429 8.248 -1.736 322 2HG2 VAL 43 2HG2 VAL 43 7.029 7.591 -2.076 323 3HG2 VAL 43 3HG2 VAL 43 6.386 8.900 -3.066 324 H SER 44 H SER 44 9.251 8.964 1.705 325 HA SER 44 HA SER 44 8.720 11.130 3.429 326 1HB SER 44 2HB SER 44 11.449 10.177 2.559 327 2HB SER 44 1HB SER 44 11.028 10.974 4.070 328 HG SER 44 HG SER 44 9.482 8.881 3.983 329 H ASP 45 H ASP 45 8.931 13.293 3.146 330 HA ASP 45 HA ASP 45 9.482 14.076 0.387 331 1HB ASP 45 2HB ASP 45 7.279 14.671 1.434 332 2HB ASP 45 1HB ASP 45 8.151 15.764 2.508 333 H GLU 46 H GLU 46 11.776 13.613 1.368 334 HA GLU 46 HA GLU 46 12.923 16.287 1.862 335 1HB GLU 46 2HB GLU 46 14.252 13.595 2.290 336 2HB GLU 46 1HB GLU 46 14.948 15.165 2.654 337 1HG GLU 46 2HG GLU 46 14.297 14.434 4.726 338 2HG GLU 46 1HG GLU 46 12.918 15.418 4.240 339 H LEU 47 H LEU 47 11.926 15.564 -0.599 340 HA LEU 47 HA LEU 47 12.337 15.234 -2.794 341 1HB LEU 47 2HB LEU 47 14.402 16.745 -2.139 342 2HB LEU 47 1HB LEU 47 15.305 15.263 -2.366 343 HG LEU 47 HG LEU 47 13.581 16.561 -4.481 344 1HD1 LEU 47 1HD1 LEU 47 16.575 16.569 -4.135 345 2HD1 LEU 47 2HD1 LEU 47 15.499 17.952 -3.926 346 3HD1 LEU 47 3HD1 LEU 47 15.694 17.218 -5.518 347 1HD2 LEU 47 1HD2 LEU 47 15.557 14.287 -4.660 348 2HD2 LEU 47 2HD2 LEU 47 14.718 15.034 -6.020 349 3HD2 LEU 47 3HD2 LEU 47 13.804 14.152 -4.796 350 H GLY 48 H GLY 48 11.466 13.171 -2.377 351 1HA GLY 48 2HA GLY 48 13.132 10.994 -1.535 352 2HA GLY 48 1HA GLY 48 11.449 10.893 -2.016 353 H GLY 49 H GLY 49 14.534 11.709 -3.612 354 1HA GLY 49 2HA GLY 49 15.667 10.552 -5.253 355 2HA GLY 49 1HA GLY 49 14.469 9.277 -5.133 356 H GLN 50 H GLN 50 12.505 11.707 -5.605 357 HA GLN 50 HA GLN 50 11.414 12.690 -7.332 358 1HB GLN 50 2HB GLN 50 13.624 13.598 -7.971 359 2HB GLN 50 1HB GLN 50 13.922 12.164 -8.938 360 1HG GLN 50 2HG GLN 50 13.249 13.931 -10.389 361 2HG GLN 50 1HG GLN 50 11.947 12.744 -10.316 362 1HE2 GLN 50 1HE2 GLN 50 12.968 15.938 -9.458 363 2HE2 GLN 50 2HE2 GLN 50 11.411 16.532 -8.979 364 H GLY 51 H GLY 51 13.334 10.253 -9.100 365 1HA GLY 51 2HA GLY 51 10.988 9.470 -10.587 366 2HA GLY 51 1HA GLY 51 12.607 8.812 -10.765 367 H VAL 52 H VAL 52 12.081 8.609 -7.585 368 HA VAL 52 HA VAL 52 11.886 5.835 -7.484 369 HB VAL 52 HB VAL 52 11.202 7.887 -5.372 370 1HG1 VAL 52 1HG1 VAL 52 10.109 5.721 -4.906 371 2HG1 VAL 52 2HG1 VAL 52 11.357 6.126 -3.729 372 3HG1 VAL 52 3HG1 VAL 52 11.688 4.938 -4.986 373 1HG2 VAL 52 1HG2 VAL 52 13.509 7.944 -6.138 374 2HG2 VAL 52 2HG2 VAL 52 13.666 6.214 -5.831 375 3HG2 VAL 52 3HG2 VAL 52 13.411 7.329 -4.488 376 H GLY 53 H GLY 53 9.332 8.191 -6.637 377 1HA GLY 53 2HA GLY 53 7.315 6.265 -6.236 378 2HA GLY 53 1HA GLY 53 7.049 7.979 -6.525 379 H LYS 54 H LYS 54 8.266 8.100 -9.087 380 HA LYS 54 HA LYS 54 6.049 7.436 -10.690 381 1HB LYS 54 2HB LYS 54 7.604 9.283 -11.189 382 2HB LYS 54 1HB LYS 54 8.867 8.119 -11.551 383 1HG LYS 54 2HG LYS 54 7.846 9.030 -13.572 384 2HG LYS 54 1HG LYS 54 7.592 7.286 -13.440 385 1HD LYS 54 2HD LYS 54 5.330 7.648 -12.639 386 2HD LYS 54 1HD LYS 54 5.583 9.396 -12.645 387 1HE LYS 54 2HE LYS 54 5.828 9.400 -15.038 388 2HE LYS 54 1HE LYS 54 5.752 7.640 -15.091 389 1HZ LYS 54 1HZ LYS 54 3.650 8.820 -15.686 390 2HZ LYS 54 2HZ LYS 54 3.531 9.326 -14.075 391 3HZ LYS 54 3HZ LYS 54 3.492 7.676 -14.451 392 H LYS 55 H LYS 55 9.194 5.882 -10.238 393 HA LYS 55 HA LYS 55 8.772 3.908 -12.248 394 1HB LYS 55 2HB LYS 55 11.019 4.624 -11.433 395 2HB LYS 55 1HB LYS 55 10.685 3.815 -9.908 396 1HG LYS 55 2HG LYS 55 10.587 1.677 -10.998 397 2HG LYS 55 1HG LYS 55 10.719 2.436 -12.584 398 1HD LYS 55 2HD LYS 55 12.857 1.505 -11.940 399 2HD LYS 55 1HD LYS 55 12.954 3.266 -11.976 400 1HE LYS 55 2HE LYS 55 12.821 3.386 -9.588 401 2HE LYS 55 1HE LYS 55 12.498 1.655 -9.471 402 1HZ LYS 55 1HZ LYS 55 14.688 1.175 -10.247 403 2HZ LYS 55 2HZ LYS 55 14.829 2.282 -8.974 404 3HZ LYS 55 3HZ LYS 55 15.006 2.809 -10.576 405 H LEU 56 H LEU 56 8.154 4.093 -8.790 406 HA LEU 56 HA LEU 56 7.523 1.391 -8.354 407 1HB LEU 56 2HB LEU 56 6.543 3.897 -6.999 408 2HB LEU 56 1HB LEU 56 6.121 2.284 -6.455 409 HG LEU 56 HG LEU 56 8.926 3.396 -6.592 410 1HD1 LEU 56 1HD1 LEU 56 7.122 2.874 -4.233 411 2HD1 LEU 56 2HD1 LEU 56 7.606 4.456 -4.842 412 3HD1 LEU 56 3HD1 LEU 56 8.811 3.372 -4.147 413 1HD2 LEU 56 1HD2 LEU 56 9.531 1.363 -5.357 414 2HD2 LEU 56 2HD2 LEU 56 8.876 0.990 -6.951 415 3HD2 LEU 56 3HD2 LEU 56 7.873 0.780 -5.515 416 H LEU 57 H LEU 57 5.365 4.146 -9.076 417 HA LEU 57 HA LEU 57 3.012 2.631 -9.292 418 1HB LEU 57 2HB LEU 57 3.860 5.322 -10.233 419 2HB LEU 57 1HB LEU 57 2.407 4.632 -10.928 420 HG LEU 57 HG LEU 57 1.472 4.388 -8.633 421 1HD1 LEU 57 1HD1 LEU 57 2.515 5.610 -6.795 422 2HD1 LEU 57 2HD1 LEU 57 3.902 5.975 -7.823 423 3HD1 LEU 57 3HD1 LEU 57 3.552 4.306 -7.372 424 1HD2 LEU 57 1HD2 LEU 57 2.305 7.172 -9.424 425 2HD2 LEU 57 2HD2 LEU 57 0.977 6.759 -8.340 426 3HD2 LEU 57 3HD2 LEU 57 0.908 6.293 -10.040 427 H LYS 58 H LYS 58 5.476 3.468 -11.673 428 HA LYS 58 HA LYS 58 4.207 2.561 -13.979 429 1HB LYS 58 2HB LYS 58 6.405 3.773 -13.896 430 2HB LYS 58 1HB LYS 58 7.157 2.274 -13.364 431 1HG LYS 58 2HG LYS 58 5.739 1.579 -15.654 432 2HG LYS 58 1HG LYS 58 6.462 3.146 -16.024 433 1HD LYS 58 2HD LYS 58 7.993 1.412 -16.686 434 2HD LYS 58 1HD LYS 58 8.660 2.240 -15.279 435 1HE LYS 58 2HE LYS 58 7.970 0.456 -13.831 436 2HE LYS 58 1HE LYS 58 7.094 -0.332 -15.141 437 1HZ LYS 58 1HZ LYS 58 9.251 -1.369 -14.673 438 2HZ LYS 58 2HZ LYS 58 10.041 0.079 -15.079 439 3HZ LYS 58 3HZ LYS 58 9.164 -0.767 -16.258 440 H ALA 59 H ALA 59 6.184 0.796 -11.625 441 HA ALA 59 HA ALA 59 6.155 -1.684 -12.972 442 1HB ALA 59 1HB ALA 59 6.482 -1.166 -10.019 443 2HB ALA 59 2HB ALA 59 7.777 -1.120 -11.214 444 3HB ALA 59 3HB ALA 59 6.941 -2.636 -10.880 445 H VAL 60 H VAL 60 4.083 -0.326 -10.444 446 HA VAL 60 HA VAL 60 2.500 -2.606 -10.007 447 HB VAL 60 HB VAL 60 1.707 0.300 -9.709 448 1HG1 VAL 60 1HG1 VAL 60 0.480 -2.184 -8.510 449 2HG1 VAL 60 2HG1 VAL 60 -0.237 -1.174 -9.764 450 3HG1 VAL 60 3HG1 VAL 60 0.014 -0.523 -8.145 451 1HG2 VAL 60 1HG2 VAL 60 3.680 -0.256 -8.400 452 2HG2 VAL 60 2HG2 VAL 60 2.845 -1.643 -7.701 453 3HG2 VAL 60 3HG2 VAL 60 2.288 -0.008 -7.347 454 H VAL 61 H VAL 61 1.918 0.221 -12.098 455 HA VAL 61 HA VAL 61 -0.535 -0.715 -13.141 456 HB VAL 61 HB VAL 61 1.414 1.272 -14.321 457 1HG1 VAL 61 1HG1 VAL 61 -0.520 2.095 -15.613 458 2HG1 VAL 61 2HG1 VAL 61 -1.469 0.729 -15.027 459 3HG1 VAL 61 3HG1 VAL 61 -0.063 0.451 -16.055 460 1HG2 VAL 61 1HG2 VAL 61 -0.112 2.949 -13.373 461 2HG2 VAL 61 2HG2 VAL 61 0.611 1.929 -12.129 462 3HG2 VAL 61 3HG2 VAL 61 -1.057 1.656 -12.634 463 H GLU 62 H GLU 62 2.795 -1.011 -14.296 464 HA GLU 62 HA GLU 62 2.201 -2.216 -16.775 465 1HB GLU 62 2HB GLU 62 4.402 -1.268 -16.225 466 2HB GLU 62 1HB GLU 62 4.651 -2.534 -15.030 467 1HG GLU 62 2HG GLU 62 4.681 -4.216 -16.761 468 2HG GLU 62 1HG GLU 62 4.309 -2.999 -17.983 469 H HIS 63 H HIS 63 2.977 -3.624 -13.604 470 HA HIS 63 HA HIS 63 2.713 -6.320 -14.435 471 1HB HIS 63 2HB HIS 63 3.872 -5.482 -12.343 472 2HB HIS 63 1HB HIS 63 2.275 -5.261 -11.638 473 HD1 HIS 63 HD1 HIS 63 4.773 -7.862 -12.554 474 HD2 HIS 63 HD2 HIS 63 0.940 -7.652 -10.947 475 HE1 HIS 63 HE1 HIS 63 4.285 -10.162 -11.646 476 HE2 HIS 63 HE2 HIS 63 1.901 -10.049 -10.819 477 H ALA 64 H ALA 64 0.459 -3.901 -13.313 478 HA ALA 64 HA ALA 64 -1.776 -5.578 -12.914 479 1HB ALA 64 1HB ALA 64 -1.678 -3.267 -12.096 480 2HB ALA 64 2HB ALA 64 -3.112 -3.555 -13.081 481 3HB ALA 64 3HB ALA 64 -1.738 -2.682 -13.759 482 H ARG 65 H ARG 65 -0.774 -3.635 -15.742 483 HA ARG 65 HA ARG 65 -2.824 -4.521 -17.448 484 1HB ARG 65 2HB ARG 65 -1.469 -2.558 -17.954 485 2HB ARG 65 1HB ARG 65 -0.032 -3.557 -18.115 486 1HG ARG 65 2HG ARG 65 -2.363 -4.148 -19.867 487 2HG ARG 65 1HG ARG 65 -1.390 -2.717 -20.212 488 1HD ARG 65 2HD ARG 65 0.580 -4.024 -20.486 489 2HD ARG 65 1HD ARG 65 -0.210 -5.462 -19.843 490 HE ARG 65 HE ARG 65 -1.712 -5.043 -21.967 491 1HH1 ARG 65 2HH1 ARG 65 1.766 -4.736 -21.690 492 2HH1 ARG 65 1HH1 ARG 65 2.063 -5.248 -23.323 493 1HH2 ARG 65 1HH2 ARG 65 -1.325 -5.730 -24.098 494 2HH2 ARG 65 2HH2 ARG 65 0.309 -5.847 -24.685 495 H GLU 66 H GLU 66 0.358 -5.830 -16.730 496 HA GLU 66 HA GLU 66 0.625 -7.782 -18.656 497 1HB GLU 66 2HB GLU 66 2.370 -7.235 -17.039 498 2HB GLU 66 1HB GLU 66 1.403 -7.910 -15.737 499 1HG GLU 66 2HG GLU 66 1.531 -10.118 -16.895 500 2HG GLU 66 1HG GLU 66 2.672 -9.392 -18.026 501 H ASN 67 H ASN 67 -1.158 -7.989 -15.582 502 HA ASN 67 HA ASN 67 -2.089 -10.672 -16.381 503 1HB ASN 67 2HB ASN 67 -1.918 -9.416 -13.632 504 2HB ASN 67 1HB ASN 67 -2.577 -11.013 -13.964 505 1HD2 ASN 67 1HD2 ASN 67 0.292 -9.066 -13.819 506 2HD2 ASN 67 2HD2 ASN 67 1.432 -10.369 -13.882 507 H ASN 68 H ASN 68 -3.114 -7.700 -16.709 508 HA ASN 68 HA ASN 68 -5.041 -6.511 -16.652 509 1HB ASN 68 2HB ASN 68 -5.682 -8.324 -18.246 510 2HB ASN 68 1HB ASN 68 -6.385 -9.210 -16.898 511 1HD2 ASN 68 1HD2 ASN 68 -6.631 -6.315 -18.852 512 2HD2 ASN 68 2HD2 ASN 68 -8.287 -5.982 -18.486 513 H LEU 69 H LEU 69 -4.295 -6.236 -14.371 514 HA LEU 69 HA LEU 69 -6.075 -7.432 -12.387 515 1HB LEU 69 2HB LEU 69 -3.701 -5.590 -12.039 516 2HB LEU 69 1HB LEU 69 -4.614 -6.327 -10.737 517 HG LEU 69 HG LEU 69 -2.986 -7.832 -12.784 518 1HD1 LEU 69 1HD1 LEU 69 -1.470 -8.284 -10.918 519 2HD1 LEU 69 2HD1 LEU 69 -2.438 -7.237 -9.880 520 3HD1 LEU 69 3HD1 LEU 69 -1.579 -6.558 -11.264 521 1HD2 LEU 69 1HD2 LEU 69 -3.396 -9.773 -11.367 522 2HD2 LEU 69 2HD2 LEU 69 -4.911 -9.101 -11.970 523 3HD2 LEU 69 3HD2 LEU 69 -4.412 -8.795 -10.307 524 H LYS 70 H LYS 70 -7.312 -6.139 -10.957 525 HA LYS 70 HA LYS 70 -8.126 -3.593 -12.180 526 1HB LYS 70 2HB LYS 70 -9.588 -5.298 -10.153 527 2HB LYS 70 1HB LYS 70 -10.224 -3.868 -10.951 528 1HG LYS 70 2HG LYS 70 -10.010 -5.054 -13.126 529 2HG LYS 70 1HG LYS 70 -9.528 -6.499 -12.237 530 1HD LYS 70 2HD LYS 70 -11.870 -6.669 -12.733 531 2HD LYS 70 1HD LYS 70 -11.692 -6.377 -11.000 532 1HE LYS 70 2HE LYS 70 -12.195 -4.025 -11.321 533 2HE LYS 70 1HE LYS 70 -12.301 -4.262 -13.065 534 1HZ LYS 70 1HZ LYS 70 -14.492 -4.215 -12.146 535 2HZ LYS 70 2HZ LYS 70 -14.113 -5.405 -11.001 536 3HZ LYS 70 3HZ LYS 70 -14.171 -5.801 -12.651 537 H ILE 71 H ILE 71 -7.391 -1.797 -11.256 538 HA ILE 71 HA ILE 71 -6.262 -2.021 -8.563 539 HB ILE 71 HB ILE 71 -5.832 0.116 -10.658 540 1HG1 ILE 71 2HG1 ILE 71 -4.072 -2.165 -9.731 541 2HG1 ILE 71 1HG1 ILE 71 -4.836 -2.013 -11.310 542 1HG2 ILE 71 1HG2 ILE 71 -5.578 1.026 -8.423 543 2HG2 ILE 71 2HG2 ILE 71 -3.997 0.871 -9.192 544 3HG2 ILE 71 3HG2 ILE 71 -4.507 -0.304 -7.979 545 1HD1 ILE 71 1HD1 ILE 71 -2.481 -1.454 -11.418 546 2HD1 ILE 71 2HD1 ILE 71 -2.706 -0.205 -10.194 547 3HD1 ILE 71 3HD1 ILE 71 -3.473 -0.042 -11.774 548 H ILE 72 H ILE 72 -7.121 -1.053 -6.874 549 HA ILE 72 HA ILE 72 -8.642 1.433 -7.253 550 HB ILE 72 HB ILE 72 -10.071 0.770 -5.283 551 1HG1 ILE 72 2HG1 ILE 72 -9.006 -1.995 -5.908 552 2HG1 ILE 72 1HG1 ILE 72 -8.625 -1.065 -4.463 553 1HG2 ILE 72 1HG2 ILE 72 -10.338 -0.894 -7.785 554 2HG2 ILE 72 2HG2 ILE 72 -10.955 0.740 -7.544 555 3HG2 ILE 72 3HG2 ILE 72 -11.618 -0.599 -6.608 556 1HD1 ILE 72 1HD1 ILE 72 -10.295 -2.746 -3.991 557 2HD1 ILE 72 2HD1 ILE 72 -11.340 -2.093 -5.253 558 3HD1 ILE 72 3HD1 ILE 72 -10.986 -1.133 -3.816 559 H ALA 73 H ALA 73 -8.293 2.980 -5.588 560 HA ALA 73 HA ALA 73 -6.091 2.267 -3.761 561 1HB ALA 73 1HB ALA 73 -6.443 4.887 -5.212 562 2HB ALA 73 2HB ALA 73 -5.266 3.636 -5.612 563 3HB ALA 73 3HB ALA 73 -5.155 4.495 -4.075 564 H SER 74 H SER 74 -6.161 3.048 -1.695 565 HA SER 74 HA SER 74 -8.672 4.356 -0.919 566 1HB SER 74 2HB SER 74 -8.009 3.562 1.407 567 2HB SER 74 1HB SER 74 -8.401 2.295 0.242 568 HG SER 74 HG SER 74 -6.397 2.069 1.560 569 H CYS 75 H CYS 75 -5.156 4.559 -0.518 570 HA CYS 75 HA CYS 75 -5.097 6.931 0.991 571 1HB CYS 75 2HB CYS 75 -3.149 5.594 -0.851 572 2HB CYS 75 1HB CYS 75 -2.815 7.223 -0.270 573 HG CYS 75 HG CYS 75 -3.315 4.491 1.740 574 H SER 76 H SER 76 -5.797 8.891 0.470 575 HA SER 76 HA SER 76 -6.892 9.565 -2.006 576 1HB SER 76 2HB SER 76 -7.478 10.732 0.068 577 2HB SER 76 1HB SER 76 -5.850 11.399 0.171 578 HG SER 76 HG SER 76 -7.786 12.606 -0.891 579 H PHE 77 H PHE 77 -3.685 10.213 -0.674 580 HA PHE 77 HA PHE 77 -2.723 11.920 -2.655 581 1HB PHE 77 2HB PHE 77 -1.565 11.517 -0.521 582 2HB PHE 77 1HB PHE 77 -1.181 9.879 -1.035 583 HD1 PHE 77 HD1 PHE 77 -0.686 13.433 -2.021 584 HD2 PHE 77 HD2 PHE 77 0.823 9.452 -2.104 585 HE1 PHE 77 HE1 PHE 77 1.405 14.249 -3.028 586 HE2 PHE 77 HE2 PHE 77 2.918 10.260 -3.111 587 HZ PHE 77 HZ PHE 77 3.209 12.661 -3.573 588 H ALA 78 H ALA 78 -2.251 8.396 -2.395 589 HA ALA 78 HA ALA 78 -0.989 8.123 -4.910 590 1HB ALA 78 1HB ALA 78 -0.742 6.497 -3.086 591 2HB ALA 78 2HB ALA 78 -1.259 5.734 -4.589 592 3HB ALA 78 3HB ALA 78 -2.426 6.019 -3.297 593 H LYS 79 H LYS 79 -4.328 7.922 -3.857 594 HA LYS 79 HA LYS 79 -5.473 6.753 -6.109 595 1HB LYS 79 2HB LYS 79 -6.687 7.162 -3.998 596 2HB LYS 79 1HB LYS 79 -6.664 8.890 -4.328 597 1HG LYS 79 2HG LYS 79 -7.969 8.480 -6.380 598 2HG LYS 79 1HG LYS 79 -8.059 6.772 -5.948 599 1HD LYS 79 2HD LYS 79 -9.201 7.400 -3.850 600 2HD LYS 79 1HD LYS 79 -9.166 9.090 -4.365 601 1HE LYS 79 2HE LYS 79 -10.422 8.445 -6.397 602 2HE LYS 79 1HE LYS 79 -10.540 6.805 -5.767 603 1HZ LYS 79 1HZ LYS 79 -11.706 9.258 -4.576 604 2HZ LYS 79 2HZ LYS 79 -11.726 7.731 -3.833 605 3HZ LYS 79 3HZ LYS 79 -12.545 7.971 -5.304 606 H HIS 80 H HIS 80 -4.946 10.198 -5.388 607 HA HIS 80 HA HIS 80 -6.045 11.062 -7.871 608 1HB HIS 80 2HB HIS 80 -4.330 12.539 -5.871 609 2HB HIS 80 1HB HIS 80 -5.088 13.286 -7.273 610 HD1 HIS 80 HD1 HIS 80 -7.920 12.440 -7.220 611 HD2 HIS 80 HD2 HIS 80 -5.794 13.178 -3.710 612 HE1 HIS 80 HE1 HIS 80 -9.649 12.905 -5.453 613 HE2 HIS 80 HE2 HIS 80 -8.340 13.468 -3.371 614 H MET 81 H MET 81 -3.000 9.792 -7.000 615 HA MET 81 HA MET 81 -1.482 11.013 -9.092 616 1HB MET 81 2HB MET 81 -1.003 8.465 -7.538 617 2HB MET 81 1HB MET 81 0.136 9.149 -8.687 618 1HG MET 81 2HG MET 81 0.289 11.175 -7.320 619 2HG MET 81 1HG MET 81 -0.832 10.467 -6.162 620 1HE MET 81 1HE MET 81 2.758 10.356 -7.702 621 2HE MET 81 2HE MET 81 2.121 8.777 -8.160 622 3HE MET 81 3HE MET 81 3.426 8.894 -6.979 623 H LEU 82 H LEU 82 -3.186 7.933 -8.725 624 HA LEU 82 HA LEU 82 -2.669 7.081 -11.411 625 1HB LEU 82 2HB LEU 82 -4.771 6.149 -9.449 626 2HB LEU 82 1HB LEU 82 -4.326 5.328 -10.933 627 HG LEU 82 HG LEU 82 -2.488 5.755 -8.574 628 1HD1 LEU 82 1HD1 LEU 82 -4.251 4.209 -8.000 629 2HD1 LEU 82 2HD1 LEU 82 -2.747 3.323 -8.249 630 3HD1 LEU 82 3HD1 LEU 82 -3.994 3.311 -9.497 631 1HD2 LEU 82 1HD2 LEU 82 -2.139 4.130 -11.093 632 2HD2 LEU 82 2HD2 LEU 82 -1.013 4.194 -9.737 633 3HD2 LEU 82 3HD2 LEU 82 -1.306 5.636 -10.706 634 H GLU 83 H GLU 83 -5.314 8.657 -9.726 635 HA GLU 83 HA GLU 83 -7.218 8.646 -11.795 636 1HB GLU 83 2HB GLU 83 -7.810 9.065 -9.482 637 2HB GLU 83 1HB GLU 83 -6.822 10.517 -9.455 638 1HG GLU 83 2HG GLU 83 -8.328 11.530 -11.124 639 2HG GLU 83 1HG GLU 83 -9.343 10.090 -11.040 640 H LYS 84 H LYS 84 -4.480 10.691 -11.159 641 HA LYS 84 HA LYS 84 -5.275 12.902 -12.760 642 1HB LYS 84 2HB LYS 84 -3.564 13.056 -10.985 643 2HB LYS 84 1HB LYS 84 -2.501 12.026 -11.933 644 1HG LYS 84 2HG LYS 84 -2.662 13.797 -13.747 645 2HG LYS 84 1HG LYS 84 -3.382 14.835 -12.513 646 1HD LYS 84 2HD LYS 84 -1.381 14.477 -11.105 647 2HD LYS 84 1HD LYS 84 -0.661 13.531 -12.411 648 1HE LYS 84 2HE LYS 84 -1.389 16.452 -12.444 649 2HE LYS 84 1HE LYS 84 0.225 15.750 -12.519 650 1HZ LYS 84 1HZ LYS 84 -0.329 16.359 -14.702 651 2HZ LYS 84 2HZ LYS 84 -1.885 15.703 -14.598 652 3HZ LYS 84 3HZ LYS 84 -0.538 14.675 -14.662 653 H GLU 85 H GLU 85 -3.334 10.007 -13.373 654 HA GLU 85 HA GLU 85 -2.611 11.049 -15.994 655 1HB GLU 85 2HB GLU 85 -0.992 9.943 -14.314 656 2HB GLU 85 1HB GLU 85 -1.677 8.424 -14.881 657 1HG GLU 85 2HG GLU 85 -0.902 8.770 -17.068 658 2HG GLU 85 1HG GLU 85 -0.548 10.468 -16.758 659 H ASP 86 H ASP 86 -3.453 10.401 -17.836 660 HA ASP 86 HA ASP 86 -5.884 9.022 -17.876 661 1HB ASP 86 2HB ASP 86 -5.726 9.133 -20.324 662 2HB ASP 86 1HB ASP 86 -5.313 10.666 -19.571 663 H SER 87 H SER 87 -2.619 7.839 -18.515 664 HA SER 87 HA SER 87 -3.480 5.447 -19.787 665 1HB SER 87 2HB SER 87 -1.244 6.502 -20.120 666 2HB SER 87 1HB SER 87 -0.807 6.009 -18.487 667 HG SER 87 HG SER 87 -1.799 3.982 -20.071 668 H TYR 88 H TYR 88 -3.094 6.357 -16.476 669 HA TYR 88 HA TYR 88 -2.815 3.625 -15.548 670 1HB TYR 88 2HB TYR 88 -3.120 6.224 -14.034 671 2HB TYR 88 1HB TYR 88 -2.874 4.658 -13.274 672 HD1 TYR 88 HD1 TYR 88 -0.926 4.025 -15.852 673 HD2 TYR 88 HD2 TYR 88 -1.078 6.888 -12.707 674 HE1 TYR 88 HE1 TYR 88 1.509 4.324 -16.017 675 HE2 TYR 88 HE2 TYR 88 1.356 7.199 -12.865 676 HH TYR 88 HH TYR 88 3.204 5.959 -15.483 677 H GLN 89 H GLN 89 -5.359 5.652 -16.416 678 HA GLN 89 HA GLN 89 -7.220 4.717 -14.410 679 1HB GLN 89 2HB GLN 89 -7.508 6.572 -16.760 680 2HB GLN 89 1HB GLN 89 -8.863 6.112 -15.736 681 1HG GLN 89 2HG GLN 89 -7.792 7.086 -13.806 682 2HG GLN 89 1HG GLN 89 -6.351 7.446 -14.756 683 1HE2 GLN 89 1HE2 GLN 89 -6.352 9.163 -16.140 684 2HE2 GLN 89 2HE2 GLN 89 -7.595 10.362 -16.161 685 H ASP 90 H ASP 90 -6.044 3.255 -17.079 686 HA ASP 90 HA ASP 90 -8.538 2.088 -17.980 687 1HB ASP 90 2HB ASP 90 -5.664 1.730 -18.745 688 2HB ASP 90 1HB ASP 90 -6.836 0.492 -19.186 689 H VAL 91 H VAL 91 -5.741 1.137 -16.051 690 HA VAL 91 HA VAL 91 -6.962 -1.418 -15.404 691 HB VAL 91 HB VAL 91 -4.900 -1.790 -14.028 692 1HG1 VAL 91 1HG1 VAL 91 -3.398 -2.055 -15.957 693 2HG1 VAL 91 2HG1 VAL 91 -4.466 -1.034 -16.921 694 3HG1 VAL 91 3HG1 VAL 91 -5.037 -2.592 -16.324 695 1HG2 VAL 91 1HG2 VAL 91 -4.062 0.854 -15.226 696 2HG2 VAL 91 2HG2 VAL 91 -3.009 -0.248 -14.335 697 3HG2 VAL 91 3HG2 VAL 91 -4.365 0.531 -13.518 698 H TYR 92 H TYR 92 -6.507 1.734 -14.019 699 HA TYR 92 HA TYR 92 -7.460 0.951 -11.408 700 1HB TYR 92 2HB TYR 92 -5.896 2.799 -11.536 701 2HB TYR 92 1HB TYR 92 -6.940 3.659 -12.660 702 HD1 TYR 92 HD1 TYR 92 -8.517 5.186 -11.858 703 HD2 TYR 92 HD2 TYR 92 -6.808 2.364 -9.175 704 HE1 TYR 92 HE1 TYR 92 -9.615 6.322 -9.975 705 HE2 TYR 92 HE2 TYR 92 -7.902 3.491 -7.284 706 HH TYR 92 HH TYR 92 -10.339 5.878 -7.724 707 H LEU 93 H LEU 93 -9.529 1.168 -10.646 708 HA LEU 93 HA LEU 93 -11.604 1.513 -12.629 709 1HB LEU 93 2HB LEU 93 -11.610 0.756 -9.724 710 2HB LEU 93 1HB LEU 93 -13.103 1.166 -10.544 711 HG LEU 93 HG LEU 93 -12.687 -0.672 -12.160 712 1HD1 LEU 93 1HD1 LEU 93 -10.262 -0.792 -12.004 713 2HD1 LEU 93 2HD1 LEU 93 -10.998 -2.355 -11.652 714 3HD1 LEU 93 3HD1 LEU 93 -10.388 -1.351 -10.336 715 1HD2 LEU 93 1HD2 LEU 93 -13.199 -2.492 -10.606 716 2HD2 LEU 93 2HD2 LEU 93 -14.111 -1.032 -10.223 717 3HD2 LEU 93 3HD2 LEU 93 -12.706 -1.475 -9.253 718 H GLY 94 H GLY 94 -11.080 3.717 -13.123 719 1HA GLY 94 2HA GLY 94 -11.733 5.679 -11.046 720 2HA GLY 94 1HA GLY 94 -10.928 6.016 -12.572 721 H LEU 95 H LEU 95 -12.221 7.593 -13.322 722 HA LEU 95 HA LEU 95 -14.023 8.669 -14.172 723 1HB LEU 95 2HB LEU 95 -14.096 6.110 -15.251 724 2HB LEU 95 1HB LEU 95 -15.722 6.345 -14.636 725 HG LEU 95 HG LEU 95 -14.300 8.122 -16.625 726 1HD1 LEU 95 1HD1 LEU 95 -15.996 7.321 -18.191 727 2HD1 LEU 95 2HD1 LEU 95 -16.636 6.245 -16.949 728 3HD1 LEU 95 3HD1 LEU 95 -15.006 5.997 -17.576 729 1HD2 LEU 95 1HD2 LEU 95 -16.444 9.296 -16.813 730 2HD2 LEU 95 2HD2 LEU 95 -15.766 9.433 -15.190 731 3HD2 LEU 95 3HD2 LEU 95 -17.093 8.312 -15.501 732 H GLU 96 H GLU 96 -13.876 8.440 -11.460 733 HA GLU 96 HA GLU 96 -16.297 7.481 -10.306 734 1HB GLU 96 2HB GLU 96 -14.031 9.157 -9.257 735 2HB GLU 96 1HB GLU 96 -15.443 8.777 -8.277 736 1HG GLU 96 2HG GLU 96 -14.995 6.429 -8.436 737 2HG GLU 96 1HG GLU 96 -13.694 6.715 -9.590 738 H HIS 97 H HIS 97 -15.658 10.210 -12.128 739 HA HIS 97 HA HIS 97 -17.769 11.827 -11.048 740 1HB HIS 97 2HB HIS 97 -16.033 12.804 -12.524 741 2HB HIS 97 1HB HIS 97 -16.595 11.787 -13.847 742 HD1 HIS 97 HD1 HIS 97 -17.951 13.088 -15.446 743 HD2 HIS 97 HD2 HIS 97 -18.472 14.415 -11.535 744 HE1 HIS 97 HE1 HIS 97 -19.624 14.960 -15.579 745 HE2 HIS 97 HE2 HIS 97 -19.812 15.847 -13.227 746 H HIS 98 H HIS 98 -19.579 10.609 -10.767 747 HA HIS 98 HA HIS 98 -20.187 8.425 -12.484 748 1HB HIS 98 2HB HIS 98 -21.811 9.674 -10.262 749 2HB HIS 98 1HB HIS 98 -22.199 8.153 -11.059 750 HD1 HIS 98 HD1 HIS 98 -20.164 9.599 -8.367 751 HD2 HIS 98 HD2 HIS 98 -20.278 6.045 -10.521 752 HE1 HIS 98 HE1 HIS 98 -18.783 7.964 -7.048 753 HE2 HIS 98 HE2 HIS 98 -18.703 5.885 -8.473 754 H HIS 99 H HIS 99 -20.781 8.821 -14.483 755 HA HIS 99 HA HIS 99 -22.527 10.969 -15.237 756 1HB HIS 99 2HB HIS 99 -20.810 10.073 -16.767 757 2HB HIS 99 1HB HIS 99 -21.641 8.525 -16.797 758 HD1 HIS 99 HD1 HIS 99 -22.585 8.310 -19.066 759 HD2 HIS 99 HD2 HIS 99 -23.129 12.138 -17.524 760 HE1 HIS 99 HE1 HIS 99 -23.979 9.541 -20.765 761 HE2 HIS 99 HE2 HIS 99 -24.129 11.902 -19.900 762 H HIS 100 H HIS 100 -22.948 7.853 -13.989 763 HA HIS 100 HA HIS 100 -24.775 6.686 -13.338 764 1HB HIS 100 2HB HIS 100 -26.223 9.200 -14.189 765 2HB HIS 100 1HB HIS 100 -27.028 7.823 -13.445 766 HD1 HIS 100 HD1 HIS 100 -25.207 10.891 -12.637 767 HD2 HIS 100 HD2 HIS 100 -26.124 7.314 -10.727 768 HE1 HIS 100 HE1 HIS 100 -24.822 11.313 -10.194 769 HE2 HIS 100 HE2 HIS 100 -25.564 9.198 -9.041 770 H HIS 101 H HIS 101 -23.757 5.848 -15.608 771 HA HIS 101 HA HIS 101 -26.006 4.713 -16.965 772 1HB HIS 101 2HB HIS 101 -25.912 6.886 -18.130 773 2HB HIS 101 1HB HIS 101 -24.227 6.590 -18.543 774 HD1 HIS 101 HD1 HIS 101 -23.746 4.859 -20.443 775 HD2 HIS 101 HD2 HIS 101 -27.789 5.514 -19.680 776 HE1 HIS 101 HE1 HIS 101 -24.980 3.875 -22.401 777 HE2 HIS 101 HE2 HIS 101 -27.411 4.413 -21.987 778 H HIS 102 HN HIS 102 -22.526 5.348 -17.049 779 HA HIS 102 HA HIS 102 -20.767 4.232 -17.950 780 1HB HIS 102 2HB HIS 102 -21.362 2.584 -16.175 781 2HB HIS 102 1HB HIS 102 -22.407 1.757 -17.325 782 HD1 HIS 102 HD1 HIS 102 -21.352 -0.044 -18.688 783 HD2 HIS 102 HD2 HIS 102 -18.528 2.503 -16.997 784 HE1 HIS 102 HE1 HIS 102 -19.109 -1.080 -19.192 785 HE2 HIS 102 HE2 HIS 102 -17.411 0.553 -18.286 Start of MODEL 16 1 1H MET 1 1H MET 1 19.144 -1.082 -9.291 2 2H MET 1 2H MET 1 19.781 0.119 -8.280 3 3H MET 1 3H MET 1 18.901 -1.172 -7.610 4 HA MET 1 HA MET 1 20.601 -2.719 -8.390 5 1HB MET 1 2HB MET 1 22.035 -0.148 -9.088 6 2HB MET 1 1HB MET 1 22.811 -1.725 -9.011 7 1HG MET 1 2HG MET 1 21.312 -2.518 -10.791 8 2HG MET 1 1HG MET 1 20.601 -0.909 -10.884 9 1HE MET 1 1HE MET 1 21.785 -2.438 -13.411 10 2HE MET 1 2HE MET 1 22.647 -1.116 -14.201 11 3HE MET 1 3HE MET 1 21.066 -0.826 -13.473 12 H SER 2 H SER 2 21.121 -3.491 -6.509 13 HA SER 2 HA SER 2 21.976 -3.775 -4.449 14 1HB SER 2 2HB SER 2 23.267 -1.065 -4.820 15 2HB SER 2 1HB SER 2 23.694 -2.269 -3.603 16 HG SER 2 HG SER 2 23.685 -3.134 -6.242 17 H ASN 3 H ASN 3 21.375 -0.235 -4.426 18 HA ASN 3 HA ASN 3 19.632 -0.747 -2.106 19 1HB ASN 3 2HB ASN 3 21.565 1.529 -2.541 20 2HB ASN 3 1HB ASN 3 20.320 1.550 -1.300 21 1HD2 ASN 3 1HD2 ASN 3 21.713 1.603 0.418 22 2HD2 ASN 3 2HD2 ASN 3 22.734 0.268 0.846 23 H LEU 4 H LEU 4 20.082 1.137 -5.041 24 HA LEU 4 HA LEU 4 17.561 2.538 -4.477 25 1HB LEU 4 2HB LEU 4 19.830 3.710 -5.086 26 2HB LEU 4 1HB LEU 4 19.386 3.284 -6.726 27 HG LEU 4 HG LEU 4 17.637 4.935 -4.893 28 1HD1 LEU 4 1HD1 LEU 4 19.543 5.836 -7.046 29 2HD1 LEU 4 2HD1 LEU 4 19.714 6.112 -5.313 30 3HD1 LEU 4 3HD1 LEU 4 18.389 6.865 -6.198 31 1HD2 LEU 4 1HD2 LEU 4 17.534 4.523 -7.883 32 2HD2 LEU 4 2HD2 LEU 4 16.444 5.525 -6.924 33 3HD2 LEU 4 3HD2 LEU 4 16.451 3.775 -6.709 34 H GLU 5 H GLU 5 16.194 0.859 -5.070 35 HA GLU 5 HA GLU 5 15.252 1.123 -7.713 36 1HB GLU 5 2HB GLU 5 15.461 -1.116 -8.559 37 2HB GLU 5 1HB GLU 5 17.072 -0.555 -8.142 38 1HG GLU 5 2HG GLU 5 15.380 -2.343 -6.410 39 2HG GLU 5 1HG GLU 5 16.634 -2.903 -7.516 40 H ILE 6 H ILE 6 13.482 -0.824 -7.978 41 HA ILE 6 HA ILE 6 11.776 -0.429 -5.666 42 HB ILE 6 HB ILE 6 11.135 -1.869 -8.249 43 1HG1 ILE 6 2HG1 ILE 6 10.515 0.988 -7.474 44 2HG1 ILE 6 1HG1 ILE 6 11.813 0.520 -8.566 45 1HG2 ILE 6 1HG2 ILE 6 8.804 -1.460 -7.612 46 2HG2 ILE 6 2HG2 ILE 6 9.349 -0.723 -6.104 47 3HG2 ILE 6 3HG2 ILE 6 9.643 -2.436 -6.405 48 1HD1 ILE 6 1HD1 ILE 6 8.867 0.091 -9.005 49 2HD1 ILE 6 2HD1 ILE 6 10.149 -0.442 -10.093 50 3HD1 ILE 6 3HD1 ILE 6 9.891 1.279 -9.811 51 H LYS 7 H LYS 7 12.569 -1.760 -4.062 52 HA LYS 7 HA LYS 7 13.007 -4.566 -4.554 53 1HB LYS 7 2HB LYS 7 12.918 -2.943 -2.008 54 2HB LYS 7 1HB LYS 7 13.208 -4.676 -2.040 55 1HG LYS 7 2HG LYS 7 15.198 -4.263 -3.460 56 2HG LYS 7 1HG LYS 7 14.936 -2.530 -3.249 57 1HD LYS 7 2HD LYS 7 15.236 -2.719 -0.870 58 2HD LYS 7 1HD LYS 7 15.314 -4.477 -0.976 59 1HE LYS 7 2HE LYS 7 17.544 -3.658 -0.729 60 2HE LYS 7 1HE LYS 7 17.357 -4.226 -2.387 61 1HZ LYS 7 1HZ LYS 7 18.530 -2.107 -2.248 62 2HZ LYS 7 2HZ LYS 7 17.172 -1.385 -1.537 63 3HZ LYS 7 3HZ LYS 7 17.091 -1.966 -3.132 64 H GLN 8 H GLN 8 11.782 -6.248 -3.408 65 HA GLN 8 HA GLN 8 8.933 -5.510 -3.366 66 1HB GLN 8 2HB GLN 8 8.485 -7.857 -4.052 67 2HB GLN 8 1HB GLN 8 9.389 -6.931 -5.241 68 1HG GLN 8 2HG GLN 8 11.445 -8.008 -4.566 69 2HG GLN 8 1HG GLN 8 10.596 -8.883 -3.292 70 1HE2 GLN 8 1HE2 GLN 8 9.180 -8.321 -6.418 71 2HE2 GLN 8 2HE2 GLN 8 9.224 -9.961 -6.959 72 H GLY 9 H GLY 9 7.594 -6.319 -1.839 73 1HA GLY 9 2HA GLY 9 8.756 -8.038 0.250 74 2HA GLY 9 1HA GLY 9 7.892 -6.568 0.693 75 H GLU 10 H GLU 10 6.678 -8.457 1.851 76 HA GLU 10 HA GLU 10 4.917 -10.022 0.255 77 1HB GLU 10 2HB GLU 10 4.718 -9.266 3.174 78 2HB GLU 10 1HB GLU 10 3.738 -10.485 2.374 79 1HG GLU 10 2HG GLU 10 6.706 -10.552 2.829 80 2HG GLU 10 1HG GLU 10 5.480 -11.582 3.568 81 H ASN 11 H ASN 11 3.543 -9.047 -1.067 82 HA ASN 11 HA ASN 11 1.796 -7.823 -1.838 83 1HB ASN 11 2HB ASN 11 1.187 -7.817 1.105 84 2HB ASN 11 1HB ASN 11 0.198 -6.882 -0.010 85 1HD2 ASN 11 1HD2 ASN 11 0.453 -8.774 -2.186 86 2HD2 ASN 11 2HD2 ASN 11 -0.518 -10.139 -1.769 87 H LYS 12 H LYS 12 4.379 -6.529 -1.288 88 HA LYS 12 HA LYS 12 3.467 -3.823 -1.622 89 1HB LYS 12 2HB LYS 12 4.711 -2.841 0.215 90 2HB LYS 12 1HB LYS 12 3.530 -3.988 0.823 91 1HG LYS 12 2HG LYS 12 5.188 -5.582 1.338 92 2HG LYS 12 1HG LYS 12 6.416 -4.702 0.422 93 1HD LYS 12 2HD LYS 12 6.283 -2.854 2.006 94 2HD LYS 12 1HD LYS 12 5.036 -3.708 2.913 95 1HE LYS 12 2HE LYS 12 6.591 -5.444 3.511 96 2HE LYS 12 1HE LYS 12 7.826 -4.752 2.462 97 1HZ LYS 12 1HZ LYS 12 8.089 -4.222 4.872 98 2HZ LYS 12 2HZ LYS 12 6.668 -3.305 4.781 99 3HZ LYS 12 3HZ LYS 12 8.019 -2.864 3.863 100 H PHE 13 H PHE 13 5.207 -2.321 -2.069 101 HA PHE 13 HA PHE 13 7.776 -3.546 -2.816 102 1HB PHE 13 2HB PHE 13 6.196 -1.520 -4.430 103 2HB PHE 13 1HB PHE 13 7.870 -1.949 -4.753 104 HD1 PHE 13 HD1 PHE 13 4.609 -2.501 -5.745 105 HD2 PHE 13 HD2 PHE 13 8.218 -4.611 -4.949 106 HE1 PHE 13 HE1 PHE 13 3.853 -4.338 -7.198 107 HE2 PHE 13 HE2 PHE 13 7.468 -6.450 -6.398 108 HZ PHE 13 HZ PHE 13 5.284 -6.316 -7.524 109 H TYR 14 H TYR 14 9.581 -2.101 -2.555 110 HA TYR 14 HA TYR 14 9.036 0.507 -1.416 111 1HB TYR 14 2HB TYR 14 10.238 0.113 0.672 112 2HB TYR 14 1HB TYR 14 8.854 -0.962 0.546 113 HD1 TYR 14 HD1 TYR 14 12.403 -0.731 0.994 114 HD2 TYR 14 HD2 TYR 14 9.268 -3.381 -0.129 115 HE1 TYR 14 HE1 TYR 14 13.879 -2.652 1.416 116 HE2 TYR 14 HE2 TYR 14 10.731 -5.306 0.292 117 HH TYR 14 HH TYR 14 13.610 -5.100 1.999 118 H ILE 15 H ILE 15 10.677 1.919 -1.626 119 HA ILE 15 HA ILE 15 13.173 0.901 -2.818 120 HB ILE 15 HB ILE 15 11.981 3.675 -3.023 121 1HG1 ILE 15 2HG1 ILE 15 12.245 1.468 -5.081 122 2HG1 ILE 15 1HG1 ILE 15 10.745 2.053 -4.370 123 1HG2 ILE 15 1HG2 ILE 15 13.793 4.174 -4.563 124 2HG2 ILE 15 2HG2 ILE 15 14.452 2.553 -4.347 125 3HG2 ILE 15 3HG2 ILE 15 14.439 3.687 -2.996 126 1HD1 ILE 15 1HD1 ILE 15 11.084 2.912 -6.624 127 2HD1 ILE 15 2HD1 ILE 15 12.596 3.664 -6.109 128 3HD1 ILE 15 3HD1 ILE 15 11.062 4.210 -5.430 129 H GLY 16 H GLY 16 14.919 1.003 -1.563 130 1HA GLY 16 2HA GLY 16 15.793 3.122 -0.056 131 2HA GLY 16 1HA GLY 16 14.779 2.183 1.031 132 H ASP 17 H ASP 17 17.259 2.434 1.804 133 HA ASP 17 HA ASP 17 19.151 0.610 0.792 134 1HB ASP 17 2HB ASP 17 18.909 1.779 3.576 135 2HB ASP 17 1HB ASP 17 20.336 0.976 2.931 136 H ASP 18 H ASP 18 16.903 0.419 3.513 137 HA ASP 18 HA ASP 18 16.959 -2.504 3.383 138 1HB ASP 18 2HB ASP 18 17.377 -0.919 5.934 139 2HB ASP 18 1HB ASP 18 17.161 -2.661 5.846 140 H GLU 19 H GLU 19 15.276 -3.249 5.251 141 HA GLU 19 HA GLU 19 12.748 -2.068 4.709 142 1HB GLU 19 2HB GLU 19 13.602 -3.897 6.967 143 2HB GLU 19 1HB GLU 19 11.940 -3.441 6.641 144 1HG GLU 19 2HG GLU 19 12.294 -5.620 5.767 145 2HG GLU 19 1HG GLU 19 12.152 -4.507 4.408 146 H ASN 20 H ASN 20 15.213 -1.670 7.109 147 HA ASN 20 HA ASN 20 13.810 -0.023 8.930 148 1HB ASN 20 2HB ASN 20 16.771 -0.215 8.329 149 2HB ASN 20 1HB ASN 20 16.083 0.634 9.707 150 1HD2 ASN 20 1HD2 ASN 20 17.918 -1.678 9.519 151 2HD2 ASN 20 2HD2 ASN 20 17.174 -2.921 10.457 152 H ASN 21 H ASN 21 14.993 0.544 5.793 153 HA ASN 21 HA ASN 21 14.719 3.441 6.157 154 1HB ASN 21 2HB ASN 21 16.958 2.003 4.727 155 2HB ASN 21 1HB ASN 21 16.614 3.716 4.503 156 1HD2 ASN 21 1HD2 ASN 21 17.044 5.155 6.159 157 2HD2 ASN 21 2HD2 ASN 21 18.020 4.740 7.524 158 H ALA 22 H ALA 22 12.588 2.306 5.315 159 HA ALA 22 HA ALA 22 12.577 2.204 2.400 160 1HB ALA 22 1HB ALA 22 11.292 0.516 3.628 161 2HB ALA 22 2HB ALA 22 10.250 1.512 2.611 162 3HB ALA 22 3HB ALA 22 10.312 1.791 4.353 163 H LEU 23 H LEU 23 12.937 4.298 1.768 164 HA LEU 23 HA LEU 23 11.406 6.457 2.946 165 1HB LEU 23 2HB LEU 23 13.380 6.499 0.659 166 2HB LEU 23 1HB LEU 23 12.654 7.914 1.395 167 HG LEU 23 HG LEU 23 13.745 6.978 3.591 168 1HD1 LEU 23 1HD1 LEU 23 15.503 5.748 1.471 169 2HD1 LEU 23 2HD1 LEU 23 14.510 4.869 2.632 170 3HD1 LEU 23 3HD1 LEU 23 15.866 5.844 3.195 171 1HD2 LEU 23 1HD2 LEU 23 14.299 9.111 2.634 172 2HD2 LEU 23 2HD2 LEU 23 15.278 8.340 1.387 173 3HD2 LEU 23 3HD2 LEU 23 15.787 8.272 3.075 174 H ALA 24 H ALA 24 11.069 4.267 0.432 175 HA ALA 24 HA ALA 24 8.768 5.774 -0.586 176 1HB ALA 24 1HB ALA 24 9.241 5.041 -2.843 177 2HB ALA 24 2HB ALA 24 10.653 4.145 -2.287 178 3HB ALA 24 3HB ALA 24 10.632 5.905 -2.197 179 H GLU 25 H GLU 25 7.209 4.651 0.409 180 HA GLU 25 HA GLU 25 7.304 1.703 0.340 181 1HB GLU 25 2HB GLU 25 7.501 2.602 2.583 182 2HB GLU 25 1HB GLU 25 6.100 3.627 2.340 183 1HG GLU 25 2HG GLU 25 5.410 1.852 3.711 184 2HG GLU 25 1HG GLU 25 4.735 1.538 2.115 185 H ILE 26 H ILE 26 5.586 0.609 -0.556 186 HA ILE 26 HA ILE 26 3.008 1.919 -0.784 187 HB ILE 26 HB ILE 26 4.057 2.669 -2.840 188 1HG1 ILE 26 2HG1 ILE 26 2.078 0.454 -3.415 189 2HG1 ILE 26 1HG1 ILE 26 1.652 2.069 -2.861 190 1HG2 ILE 26 1HG2 ILE 26 4.810 1.103 -4.566 191 2HG2 ILE 26 2HG2 ILE 26 4.525 -0.243 -3.460 192 3HG2 ILE 26 3HG2 ILE 26 5.760 0.960 -3.086 193 1HD1 ILE 26 1HD1 ILE 26 2.583 3.016 -4.903 194 2HD1 ILE 26 2HD1 ILE 26 1.318 1.835 -5.251 195 3HD1 ILE 26 3HD1 ILE 26 3.015 1.398 -5.458 196 H THR 27 H THR 27 1.419 0.499 -0.426 197 HA THR 27 HA THR 27 2.089 -2.368 -0.572 198 HB THR 27 HB THR 27 0.284 -2.607 1.203 199 HG1 THR 27 HG1 THR 27 -0.524 -0.826 2.107 200 1HG2 THR 27 1HG2 THR 27 2.767 -1.027 1.867 201 2HG2 THR 27 2HG2 THR 27 2.616 -2.782 1.815 202 3HG2 THR 27 3HG2 THR 27 1.758 -1.860 3.046 203 H TYR 28 H TYR 28 0.547 -3.819 -1.344 204 HA TYR 28 HA TYR 28 -2.016 -2.794 -2.281 205 1HB TYR 28 2HB TYR 28 -1.749 -3.627 -4.544 206 2HB TYR 28 1HB TYR 28 -0.441 -2.501 -4.201 207 HD1 TYR 28 HD1 TYR 28 -1.310 -5.863 -5.155 208 HD2 TYR 28 HD2 TYR 28 1.857 -3.424 -3.686 209 HE1 TYR 28 HE1 TYR 28 0.313 -7.591 -5.798 210 HE2 TYR 28 HE2 TYR 28 3.487 -5.148 -4.326 211 HH TYR 28 HH TYR 28 2.616 -7.869 -6.267 212 H ARG 29 H ARG 29 -3.616 -4.362 -2.212 213 HA ARG 29 HA ARG 29 -2.779 -7.127 -1.733 214 1HB ARG 29 2HB ARG 29 -2.939 -5.995 0.471 215 2HB ARG 29 1HB ARG 29 -4.626 -5.634 0.137 216 1HG ARG 29 2HG ARG 29 -5.196 -7.948 0.156 217 2HG ARG 29 1HG ARG 29 -3.496 -8.416 0.238 218 1HD ARG 29 2HD ARG 29 -3.354 -7.233 2.428 219 2HD ARG 29 1HD ARG 29 -5.097 -6.985 2.352 220 HE ARG 29 HE ARG 29 -5.252 -9.486 2.270 221 1HH1 ARG 29 2HH1 ARG 29 -2.542 -7.868 3.785 222 2HH1 ARG 29 1HH1 ARG 29 -2.159 -9.202 4.830 223 1HH2 ARG 29 1HH2 ARG 29 -4.762 -11.237 3.624 224 2HH2 ARG 29 2HH2 ARG 29 -3.408 -11.139 4.716 225 H PHE 30 H PHE 30 -4.371 -8.683 -2.155 226 HA PHE 30 HA PHE 30 -6.364 -7.892 -4.070 227 1HB PHE 30 2HB PHE 30 -5.712 -10.563 -2.810 228 2HB PHE 30 1HB PHE 30 -6.962 -10.342 -4.027 229 HD1 PHE 30 HD1 PHE 30 -6.433 -10.244 -6.309 230 HD2 PHE 30 HD2 PHE 30 -3.322 -10.112 -3.411 231 HE1 PHE 30 HE1 PHE 30 -4.768 -10.564 -8.089 232 HE2 PHE 30 HE2 PHE 30 -1.649 -10.427 -5.188 233 HZ PHE 30 HZ PHE 30 -2.371 -10.654 -7.532 234 H VAL 31 H VAL 31 -8.321 -7.136 -3.536 235 HA VAL 31 HA VAL 31 -9.391 -7.711 -0.892 236 HB VAL 31 HB VAL 31 -11.284 -6.204 -1.569 237 1HG1 VAL 31 1HG1 VAL 31 -9.406 -5.376 -0.270 238 2HG1 VAL 31 2HG1 VAL 31 -9.982 -4.146 -1.395 239 3HG1 VAL 31 3HG1 VAL 31 -8.509 -5.048 -1.754 240 1HG2 VAL 31 1HG2 VAL 31 -11.131 -6.482 -3.988 241 2HG2 VAL 31 2HG2 VAL 31 -9.558 -5.685 -3.984 242 3HG2 VAL 31 3HG2 VAL 31 -11.004 -4.783 -3.531 243 H ASP 32 H ASP 32 -10.155 -8.357 -4.274 244 HA ASP 32 HA ASP 32 -11.639 -10.696 -3.555 245 1HB ASP 32 2HB ASP 32 -13.429 -9.145 -3.160 246 2HB ASP 32 1HB ASP 32 -13.108 -8.299 -4.669 247 H ASN 33 H ASN 33 -10.267 -11.796 -4.877 248 HA ASN 33 HA ASN 33 -9.872 -12.984 -6.751 249 1HB ASN 33 2HB ASN 33 -12.264 -12.984 -7.103 250 2HB ASN 33 1HB ASN 33 -12.190 -11.400 -7.865 251 1HD2 ASN 33 1HD2 ASN 33 -11.799 -11.263 -9.987 252 2HD2 ASN 33 2HD2 ASN 33 -11.473 -12.622 -11.018 253 H ASN 34 H ASN 34 -10.769 -9.869 -8.283 254 HA ASN 34 HA ASN 34 -8.134 -9.985 -9.603 255 1HB ASN 34 2HB ASN 34 -10.077 -10.491 -11.081 256 2HB ASN 34 1HB ASN 34 -10.706 -8.883 -10.749 257 1HD2 ASN 34 1HD2 ASN 34 -8.237 -10.727 -12.359 258 2HD2 ASN 34 2HD2 ASN 34 -7.666 -9.436 -13.373 259 H GLU 35 H GLU 35 -10.402 -8.032 -7.862 260 HA GLU 35 HA GLU 35 -9.161 -5.528 -8.477 261 1HB GLU 35 2HB GLU 35 -11.152 -6.395 -6.394 262 2HB GLU 35 1HB GLU 35 -10.474 -4.777 -6.392 263 1HG GLU 35 2HG GLU 35 -12.583 -4.685 -7.464 264 2HG GLU 35 1HG GLU 35 -11.348 -4.477 -8.701 265 H ILE 36 H ILE 36 -7.278 -4.831 -7.738 266 HA ILE 36 HA ILE 36 -6.347 -5.814 -5.121 267 HB ILE 36 HB ILE 36 -4.057 -5.150 -5.850 268 1HG1 ILE 36 2HG1 ILE 36 -5.305 -4.898 -8.594 269 2HG1 ILE 36 1HG1 ILE 36 -4.767 -3.540 -7.613 270 1HG2 ILE 36 1HG2 ILE 36 -3.699 -7.082 -7.307 271 2HG2 ILE 36 2HG2 ILE 36 -5.440 -7.198 -7.571 272 3HG2 ILE 36 3HG2 ILE 36 -4.772 -7.464 -5.961 273 1HD1 ILE 36 1HD1 ILE 36 -2.479 -4.406 -7.693 274 2HD1 ILE 36 2HD1 ILE 36 -3.126 -4.085 -9.302 275 3HD1 ILE 36 3HD1 ILE 36 -3.030 -5.742 -8.703 276 H ASN 37 H ASN 37 -6.118 -4.365 -3.521 277 HA ASN 37 HA ASN 37 -6.654 -1.567 -4.221 278 1HB ASN 37 2HB ASN 37 -7.600 -1.247 -2.097 279 2HB ASN 37 1HB ASN 37 -8.117 -2.872 -2.525 280 1HD2 ASN 37 1HD2 ASN 37 -6.288 -0.937 -0.362 281 2HD2 ASN 37 2HD2 ASN 37 -5.801 -2.203 0.709 282 H ILE 38 H ILE 38 -5.206 -0.009 -3.873 283 HA ILE 38 HA ILE 38 -2.641 -0.679 -2.705 284 HB ILE 38 HB ILE 38 -3.708 1.921 -3.831 285 1HG1 ILE 38 2HG1 ILE 38 -1.791 1.550 -5.452 286 2HG1 ILE 38 1HG1 ILE 38 -1.624 -0.060 -4.765 287 1HG2 ILE 38 1HG2 ILE 38 -2.237 2.469 -1.996 288 2HG2 ILE 38 2HG2 ILE 38 -1.426 2.816 -3.523 289 3HG2 ILE 38 3HG2 ILE 38 -1.008 1.366 -2.609 290 1HD1 ILE 38 1HD1 ILE 38 -3.888 -0.602 -5.484 291 2HD1 ILE 38 2HD1 ILE 38 -2.877 -0.100 -6.841 292 3HD1 ILE 38 3HD1 ILE 38 -4.061 1.017 -6.160 293 H ASP 39 H ASP 39 -2.469 -0.781 -0.602 294 HA ASP 39 HA ASP 39 -4.573 0.063 1.102 295 1HB ASP 39 2HB ASP 39 -3.182 -1.951 1.499 296 2HB ASP 39 1HB ASP 39 -1.806 -0.910 1.846 297 H HIS 40 H HIS 40 -1.141 1.057 0.996 298 HA HIS 40 HA HIS 40 -1.927 3.768 1.620 299 1HB HIS 40 2HB HIS 40 -0.419 3.953 3.580 300 2HB HIS 40 1HB HIS 40 -1.783 2.884 3.862 301 HD1 HIS 40 HD1 HIS 40 -1.290 0.475 4.449 302 HD2 HIS 40 HD2 HIS 40 2.115 2.629 3.396 303 HE1 HIS 40 HE1 HIS 40 0.661 -0.955 5.131 304 HE2 HIS 40 HE2 HIS 40 2.706 0.282 4.337 305 H THR 41 H THR 41 -0.325 5.310 1.230 306 HA THR 41 HA THR 41 2.020 4.290 -0.233 307 HB THR 41 HB THR 41 0.701 6.977 -0.634 308 HG1 THR 41 HG1 THR 41 0.281 4.490 -1.950 309 1HG2 THR 41 1HG2 THR 41 1.953 6.959 -2.744 310 2HG2 THR 41 2HG2 THR 41 2.642 5.389 -2.325 311 3HG2 THR 41 3HG2 THR 41 3.037 6.812 -1.360 312 H GLY 42 H GLY 42 3.783 4.504 0.975 313 1HA GLY 42 2HA GLY 42 3.884 6.709 2.926 314 2HA GLY 42 1HA GLY 42 4.760 5.194 3.066 315 H VAL 43 H VAL 43 4.557 8.193 1.228 316 HA VAL 43 HA VAL 43 7.297 7.830 0.286 317 HB VAL 43 HB VAL 43 5.394 10.129 -0.227 318 1HG1 VAL 43 1HG1 VAL 43 7.732 10.765 -0.478 319 2HG1 VAL 43 2HG1 VAL 43 6.930 10.705 -2.048 320 3HG1 VAL 43 3HG1 VAL 43 8.002 9.394 -1.553 321 1HG2 VAL 43 1HG2 VAL 43 4.521 8.061 -1.163 322 2HG2 VAL 43 2HG2 VAL 43 6.064 7.752 -1.958 323 3HG2 VAL 43 3HG2 VAL 43 5.082 9.132 -2.447 324 H SER 44 H SER 44 8.981 8.679 1.334 325 HA SER 44 HA SER 44 8.636 9.966 3.827 326 1HB SER 44 2HB SER 44 11.099 10.171 3.818 327 2HB SER 44 1HB SER 44 10.576 8.549 3.366 328 HG SER 44 HG SER 44 10.919 9.127 1.179 329 H ASP 45 H ASP 45 9.187 12.049 4.479 330 HA ASP 45 HA ASP 45 8.648 14.123 2.527 331 1HB ASP 45 2HB ASP 45 9.133 14.130 5.508 332 2HB ASP 45 1HB ASP 45 9.029 15.624 4.584 333 H GLU 46 H GLU 46 11.334 12.525 3.809 334 HA GLU 46 HA GLU 46 13.156 14.760 3.562 335 1HB GLU 46 2HB GLU 46 13.718 11.861 4.201 336 2HB GLU 46 1HB GLU 46 14.850 13.197 4.378 337 1HG GLU 46 2HG GLU 46 13.354 14.203 6.059 338 2HG GLU 46 1HG GLU 46 12.284 12.811 5.905 339 H LEU 47 H LEU 47 12.035 12.180 1.560 340 HA LEU 47 HA LEU 47 14.022 12.891 -0.439 341 1HB LEU 47 2HB LEU 47 15.006 10.985 0.742 342 2HB LEU 47 1HB LEU 47 13.562 10.041 0.439 343 HG LEU 47 HG LEU 47 14.014 10.166 -1.993 344 1HD1 LEU 47 1HD1 LEU 47 16.247 10.908 -2.735 345 2HD1 LEU 47 2HD1 LEU 47 16.552 11.530 -1.113 346 3HD1 LEU 47 3HD1 LEU 47 15.264 12.226 -2.096 347 1HD2 LEU 47 1HD2 LEU 47 14.771 8.244 -0.702 348 2HD2 LEU 47 2HD2 LEU 47 16.283 9.073 -0.339 349 3HD2 LEU 47 3HD2 LEU 47 15.904 8.618 -1.999 350 H GLY 48 H GLY 48 11.813 13.866 -0.968 351 1HA GLY 48 2HA GLY 48 10.196 12.046 -2.574 352 2HA GLY 48 1HA GLY 48 9.958 13.782 -2.401 353 H GLY 49 H GLY 49 11.446 15.208 -3.521 354 1HA GLY 49 2HA GLY 49 12.790 15.876 -5.260 355 2HA GLY 49 1HA GLY 49 13.387 14.226 -5.348 356 H GLN 50 H GLN 50 12.627 12.885 -6.893 357 HA GLN 50 HA GLN 50 11.024 14.130 -8.985 358 1HB GLN 50 2HB GLN 50 11.743 12.142 -10.344 359 2HB GLN 50 1HB GLN 50 13.045 13.188 -9.807 360 1HG GLN 50 2HG GLN 50 12.313 10.733 -8.257 361 2HG GLN 50 1HG GLN 50 13.358 10.639 -9.673 362 1HE2 GLN 50 1HE2 GLN 50 13.949 10.061 -6.880 363 2HE2 GLN 50 2HE2 GLN 50 15.272 11.090 -6.448 364 H GLY 51 H GLY 51 9.900 12.016 -10.264 365 1HA GLY 51 2HA GLY 51 7.649 11.467 -8.561 366 2HA GLY 51 1HA GLY 51 7.838 10.976 -10.237 367 H VAL 52 H VAL 52 9.449 10.291 -7.134 368 HA VAL 52 HA VAL 52 10.151 7.637 -7.757 369 HB VAL 52 HB VAL 52 9.630 8.805 -5.012 370 1HG1 VAL 52 1HG1 VAL 52 11.301 6.441 -5.849 371 2HG1 VAL 52 2HG1 VAL 52 9.754 6.367 -5.009 372 3HG1 VAL 52 3HG1 VAL 52 11.157 7.079 -4.212 373 1HG2 VAL 52 1HG2 VAL 52 11.236 10.155 -6.234 374 2HG2 VAL 52 2HG2 VAL 52 12.171 8.713 -6.630 375 3HG2 VAL 52 3HG2 VAL 52 12.042 9.249 -4.954 376 H GLY 53 H GLY 53 7.313 9.047 -6.212 377 1HA GLY 53 2HA GLY 53 6.018 6.632 -5.538 378 2HA GLY 53 1HA GLY 53 5.233 8.189 -5.763 379 H LYS 54 H LYS 54 6.126 8.517 -8.499 380 HA LYS 54 HA LYS 54 4.026 7.155 -9.824 381 1HB LYS 54 2HB LYS 54 4.806 9.347 -10.596 382 2HB LYS 54 1HB LYS 54 6.379 8.662 -10.990 383 1HG LYS 54 2HG LYS 54 5.393 7.267 -12.689 384 2HG LYS 54 1HG LYS 54 3.780 7.817 -12.249 385 1HD LYS 54 2HD LYS 54 4.442 10.119 -12.901 386 2HD LYS 54 1HD LYS 54 5.992 9.473 -13.451 387 1HE LYS 54 2HE LYS 54 4.890 8.080 -15.078 388 2HE LYS 54 1HE LYS 54 3.306 8.554 -14.468 389 1HZ LYS 54 1HZ LYS 54 3.525 9.900 -16.276 390 2HZ LYS 54 2HZ LYS 54 5.201 10.087 -16.110 391 3HZ LYS 54 3HZ LYS 54 4.146 10.925 -15.077 392 H LYS 55 H LYS 55 7.487 6.608 -9.539 393 HA LYS 55 HA LYS 55 7.536 4.499 -11.465 394 1HB LYS 55 2HB LYS 55 9.535 5.266 -9.331 395 2HB LYS 55 1HB LYS 55 9.816 4.053 -10.575 396 1HG LYS 55 2HG LYS 55 9.366 5.847 -12.277 397 2HG LYS 55 1HG LYS 55 9.391 7.004 -10.946 398 1HD LYS 55 2HD LYS 55 11.680 6.384 -10.421 399 2HD LYS 55 1HD LYS 55 11.657 5.150 -11.685 400 1HE LYS 55 2HE LYS 55 11.152 7.002 -13.319 401 2HE LYS 55 1HE LYS 55 11.493 8.142 -12.018 402 1HZ LYS 55 1HZ LYS 55 13.421 7.778 -13.434 403 2HZ LYS 55 2HZ LYS 55 13.386 6.118 -13.085 404 3HZ LYS 55 3HZ LYS 55 13.725 7.232 -11.857 405 H LEU 56 H LEU 56 7.053 4.687 -7.992 406 HA LEU 56 HA LEU 56 7.067 1.908 -7.470 407 1HB LEU 56 2HB LEU 56 5.599 4.198 -6.173 408 2HB LEU 56 1HB LEU 56 5.457 2.551 -5.597 409 HG LEU 56 HG LEU 56 8.008 4.161 -5.696 410 1HD1 LEU 56 1HD1 LEU 56 6.549 5.005 -3.999 411 2HD1 LEU 56 2HD1 LEU 56 7.794 4.032 -3.217 412 3HD1 LEU 56 3HD1 LEU 56 6.175 3.378 -3.438 413 1HD2 LEU 56 1HD2 LEU 56 7.465 1.418 -4.564 414 2HD2 LEU 56 2HD2 LEU 56 8.983 2.309 -4.457 415 3HD2 LEU 56 3HD2 LEU 56 8.390 1.764 -6.026 416 H LEU 57 H LEU 57 4.432 4.148 -8.255 417 HA LEU 57 HA LEU 57 2.409 2.196 -8.418 418 1HB LEU 57 2HB LEU 57 2.031 4.640 -8.174 419 2HB LEU 57 1HB LEU 57 2.553 4.861 -9.833 420 HG LEU 57 HG LEU 57 0.648 3.507 -10.609 421 1HD1 LEU 57 1HD1 LEU 57 -1.130 2.887 -9.062 422 2HD1 LEU 57 2HD1 LEU 57 -0.170 3.479 -7.705 423 3HD1 LEU 57 3HD1 LEU 57 0.385 2.087 -8.636 424 1HD2 LEU 57 1HD2 LEU 57 -0.154 5.768 -8.779 425 2HD2 LEU 57 2HD2 LEU 57 -1.092 5.139 -10.136 426 3HD2 LEU 57 3HD2 LEU 57 0.449 5.945 -10.428 427 H LYS 58 H LYS 58 4.749 3.403 -10.725 428 HA LYS 58 HA LYS 58 3.760 2.404 -13.112 429 1HB LYS 58 2HB LYS 58 5.743 3.796 -13.017 430 2HB LYS 58 1HB LYS 58 6.614 2.560 -12.125 431 1HG LYS 58 2HG LYS 58 6.293 1.073 -14.157 432 2HG LYS 58 1HG LYS 58 5.781 2.530 -15.010 433 1HD LYS 58 2HD LYS 58 7.909 3.593 -14.513 434 2HD LYS 58 1HD LYS 58 8.423 2.174 -13.599 435 1HE LYS 58 2HE LYS 58 7.872 2.346 -16.556 436 2HE LYS 58 1HE LYS 58 9.433 2.099 -15.775 437 1HZ LYS 58 1HZ LYS 58 8.755 -0.007 -16.505 438 2HZ LYS 58 2HZ LYS 58 7.166 0.211 -15.974 439 3HZ LYS 58 3HZ LYS 58 8.405 -0.015 -14.846 440 H ALA 59 H ALA 59 5.798 0.765 -10.706 441 HA ALA 59 HA ALA 59 6.039 -1.684 -12.058 442 1HB ALA 59 1HB ALA 59 6.705 -2.608 -9.901 443 2HB ALA 59 2HB ALA 59 6.092 -1.168 -9.086 444 3HB ALA 59 3HB ALA 59 7.471 -1.043 -10.178 445 H VAL 60 H VAL 60 3.680 -0.533 -9.689 446 HA VAL 60 HA VAL 60 2.235 -2.951 -9.464 447 HB VAL 60 HB VAL 60 1.178 -0.143 -9.079 448 1HG1 VAL 60 1HG1 VAL 60 -0.581 -1.826 -9.211 449 2HG1 VAL 60 2HG1 VAL 60 -0.431 -1.196 -7.570 450 3HG1 VAL 60 3HG1 VAL 60 0.228 -2.783 -7.969 451 1HG2 VAL 60 1HG2 VAL 60 1.761 -0.438 -6.717 452 2HG2 VAL 60 2HG2 VAL 60 3.189 -0.508 -7.752 453 3HG2 VAL 60 3HG2 VAL 60 2.501 -1.994 -7.098 454 H VAL 61 H VAL 61 1.746 -0.075 -11.480 455 HA VAL 61 HA VAL 61 -0.622 -0.913 -12.734 456 HB VAL 61 HB VAL 61 1.505 1.030 -13.648 457 1HG1 VAL 61 1HG1 VAL 61 0.321 0.187 -15.605 458 2HG1 VAL 61 2HG1 VAL 61 -0.129 1.861 -15.276 459 3HG1 VAL 61 3HG1 VAL 61 -1.226 0.548 -14.841 460 1HG2 VAL 61 1HG2 VAL 61 0.340 1.705 -11.639 461 2HG2 VAL 61 2HG2 VAL 61 -1.219 1.420 -12.411 462 3HG2 VAL 61 3HG2 VAL 61 -0.170 2.713 -12.991 463 H GLU 62 H GLU 62 2.780 -1.270 -13.706 464 HA GLU 62 HA GLU 62 2.211 -2.427 -16.222 465 1HB GLU 62 2HB GLU 62 4.380 -1.403 -15.682 466 2HB GLU 62 1HB GLU 62 4.696 -2.683 -14.517 467 1HG GLU 62 2HG GLU 62 5.031 -4.276 -16.164 468 2HG GLU 62 1HG GLU 62 4.156 -3.347 -17.379 469 H HIS 63 H HIS 63 2.883 -3.835 -13.039 470 HA HIS 63 HA HIS 63 2.758 -6.535 -13.963 471 1HB HIS 63 2HB HIS 63 3.977 -5.780 -11.913 472 2HB HIS 63 1HB HIS 63 2.424 -5.494 -11.141 473 HD1 HIS 63 HD1 HIS 63 3.902 -8.503 -13.006 474 HD2 HIS 63 HD2 HIS 63 1.906 -7.537 -9.475 475 HE1 HIS 63 HE1 HIS 63 3.655 -10.659 -11.744 476 HE2 HIS 63 HE2 HIS 63 2.628 -10.024 -9.536 477 H ALA 64 H ALA 64 0.434 -4.187 -12.899 478 HA ALA 64 HA ALA 64 -1.719 -6.039 -12.520 479 1HB ALA 64 1HB ALA 64 -1.701 -3.797 -11.482 480 2HB ALA 64 2HB ALA 64 -3.157 -4.100 -12.429 481 3HB ALA 64 3HB ALA 64 -1.874 -3.079 -13.083 482 H ARG 65 H ARG 65 -0.711 -3.886 -15.162 483 HA ARG 65 HA ARG 65 -2.650 -4.642 -17.041 484 1HB ARG 65 2HB ARG 65 -1.251 -2.766 -17.527 485 2HB ARG 65 1HB ARG 65 0.212 -3.721 -17.344 486 1HG ARG 65 2HG ARG 65 -0.430 -5.009 -19.358 487 2HG ARG 65 1HG ARG 65 -1.805 -3.924 -19.567 488 1HD ARG 65 2HD ARG 65 1.002 -2.888 -19.360 489 2HD ARG 65 1HD ARG 65 0.337 -3.444 -20.893 490 HE ARG 65 HE ARG 65 -1.522 -1.709 -20.208 491 1HH1 ARG 65 2HH1 ARG 65 1.957 -1.372 -19.870 492 2HH1 ARG 65 1HH1 ARG 65 1.935 0.338 -20.183 493 1HH2 ARG 65 1HH2 ARG 65 -1.534 0.544 -20.627 494 2HH2 ARG 65 2HH2 ARG 65 -0.029 1.420 -20.583 495 H GLU 66 H GLU 66 0.477 -5.994 -16.229 496 HA GLU 66 HA GLU 66 0.807 -8.014 -18.043 497 1HB GLU 66 2HB GLU 66 2.422 -7.390 -16.311 498 2HB GLU 66 1HB GLU 66 1.367 -8.050 -15.073 499 1HG GLU 66 2HG GLU 66 1.622 -10.267 -16.358 500 2HG GLU 66 1HG GLU 66 3.012 -9.484 -17.111 501 H ASN 67 H ASN 67 -1.095 -8.144 -15.032 502 HA ASN 67 HA ASN 67 -2.020 -10.830 -15.809 503 1HB ASN 67 2HB ASN 67 -1.893 -9.491 -13.104 504 2HB ASN 67 1HB ASN 67 -2.652 -11.053 -13.389 505 1HD2 ASN 67 1HD2 ASN 67 0.348 -9.305 -13.237 506 2HD2 ASN 67 2HD2 ASN 67 1.389 -10.691 -13.246 507 H ASN 68 H ASN 68 -3.046 -7.841 -16.233 508 HA ASN 68 HA ASN 68 -5.048 -6.798 -16.532 509 1HB ASN 68 2HB ASN 68 -5.761 -9.682 -16.886 510 2HB ASN 68 1HB ASN 68 -7.051 -8.488 -16.831 511 1HD2 ASN 68 1HD2 ASN 68 -3.900 -7.760 -18.160 512 2HD2 ASN 68 2HD2 ASN 68 -4.423 -7.645 -19.808 513 H LEU 69 H LEU 69 -4.515 -6.333 -14.126 514 HA LEU 69 HA LEU 69 -6.644 -7.391 -12.386 515 1HB LEU 69 2HB LEU 69 -4.047 -6.024 -11.668 516 2HB LEU 69 1HB LEU 69 -5.238 -6.596 -10.515 517 HG LEU 69 HG LEU 69 -3.705 -8.361 -12.422 518 1HD1 LEU 69 1HD1 LEU 69 -2.247 -7.363 -10.735 519 2HD1 LEU 69 2HD1 LEU 69 -2.465 -9.090 -10.455 520 3HD1 LEU 69 3HD1 LEU 69 -3.333 -7.919 -9.461 521 1HD2 LEU 69 1HD2 LEU 69 -5.510 -9.048 -10.106 522 2HD2 LEU 69 2HD2 LEU 69 -4.609 -10.194 -11.098 523 3HD2 LEU 69 3HD2 LEU 69 -5.909 -9.241 -11.813 524 H LYS 70 H LYS 70 -7.687 -5.910 -10.912 525 HA LYS 70 HA LYS 70 -8.167 -3.293 -12.126 526 1HB LYS 70 2HB LYS 70 -9.515 -4.470 -9.693 527 2HB LYS 70 1HB LYS 70 -10.094 -3.162 -10.711 528 1HG LYS 70 2HG LYS 70 -9.734 -5.943 -11.756 529 2HG LYS 70 1HG LYS 70 -11.206 -5.430 -10.936 530 1HD LYS 70 2HD LYS 70 -11.435 -3.608 -12.608 531 2HD LYS 70 1HD LYS 70 -10.039 -4.277 -13.462 532 1HE LYS 70 2HE LYS 70 -12.145 -5.047 -14.444 533 2HE LYS 70 1HE LYS 70 -11.210 -6.381 -13.772 534 1HZ LYS 70 1HZ LYS 70 -12.638 -6.157 -11.726 535 2HZ LYS 70 2HZ LYS 70 -13.440 -6.713 -13.113 536 3HZ LYS 70 3HZ LYS 70 -13.630 -5.108 -12.619 537 H ILE 71 H ILE 71 -6.939 -1.609 -11.431 538 HA ILE 71 HA ILE 71 -5.784 -1.749 -8.760 539 HB ILE 71 HB ILE 71 -5.283 0.105 -11.074 540 1HG1 ILE 71 2HG1 ILE 71 -3.627 -1.939 -9.583 541 2HG1 ILE 71 1HG1 ILE 71 -4.196 -2.042 -11.246 542 1HG2 ILE 71 1HG2 ILE 71 -5.228 1.447 -9.035 543 2HG2 ILE 71 2HG2 ILE 71 -3.612 1.247 -9.710 544 3HG2 ILE 71 3HG2 ILE 71 -4.104 0.301 -8.305 545 1HD1 ILE 71 1HD1 ILE 71 -2.754 -0.167 -11.839 546 2HD1 ILE 71 2HD1 ILE 71 -1.840 -1.511 -11.161 547 3HD1 ILE 71 3HD1 ILE 71 -2.177 -0.086 -10.177 548 H ILE 72 H ILE 72 -6.955 -1.079 -7.146 549 HA ILE 72 HA ILE 72 -8.360 1.497 -7.400 550 HB ILE 72 HB ILE 72 -9.895 0.589 -5.555 551 1HG1 ILE 72 2HG1 ILE 72 -8.798 -2.019 -6.636 552 2HG1 ILE 72 1HG1 ILE 72 -8.630 -1.416 -4.989 553 1HG2 ILE 72 1HG2 ILE 72 -11.410 -0.431 -7.195 554 2HG2 ILE 72 2HG2 ILE 72 -10.078 -0.529 -8.346 555 3HG2 ILE 72 3HG2 ILE 72 -10.663 1.045 -7.805 556 1HD1 ILE 72 1HD1 ILE 72 -11.047 -1.593 -4.686 557 2HD1 ILE 72 2HD1 ILE 72 -10.326 -3.143 -5.122 558 3HD1 ILE 72 3HD1 ILE 72 -11.206 -2.206 -6.332 559 H ALA 73 H ALA 73 -7.511 2.984 -6.124 560 HA ALA 73 HA ALA 73 -5.654 2.150 -4.042 561 1HB ALA 73 1HB ALA 73 -4.961 3.811 -5.739 562 2HB ALA 73 2HB ALA 73 -4.845 4.424 -4.087 563 3HB ALA 73 3HB ALA 73 -6.187 4.916 -5.121 564 H SER 74 H SER 74 -6.242 2.067 -1.983 565 HA SER 74 HA SER 74 -8.702 3.196 -1.044 566 1HB SER 74 2HB SER 74 -6.379 1.987 0.481 567 2HB SER 74 1HB SER 74 -7.953 2.376 1.172 568 HG SER 74 HG SER 74 -8.213 0.318 0.658 569 H CYS 75 H CYS 75 -5.285 4.003 -0.859 570 HA CYS 75 HA CYS 75 -5.720 6.317 0.784 571 1HB CYS 75 2HB CYS 75 -3.280 6.766 0.162 572 2HB CYS 75 1HB CYS 75 -3.617 5.293 1.068 573 HG CYS 75 HG CYS 75 -1.694 5.331 -1.314 574 H SER 76 H SER 76 -6.024 8.367 0.170 575 HA SER 76 HA SER 76 -7.048 8.806 -2.428 576 1HB SER 76 2HB SER 76 -7.183 11.216 -1.609 577 2HB SER 76 1HB SER 76 -8.050 10.007 -0.662 578 HG SER 76 HG SER 76 -6.460 10.071 0.882 579 H PHE 77 H PHE 77 -3.921 9.424 -0.974 580 HA PHE 77 HA PHE 77 -2.943 11.293 -2.829 581 1HB PHE 77 2HB PHE 77 -1.788 10.802 -0.723 582 2HB PHE 77 1HB PHE 77 -1.430 9.174 -1.285 583 HD1 PHE 77 HD1 PHE 77 0.551 8.740 -2.411 584 HD2 PHE 77 HD2 PHE 77 -0.849 12.747 -2.114 585 HE1 PHE 77 HE1 PHE 77 2.655 9.544 -3.400 586 HE2 PHE 77 HE2 PHE 77 1.252 13.561 -3.101 587 HZ PHE 77 HZ PHE 77 3.005 11.955 -3.745 588 H ALA 78 H ALA 78 -2.730 7.746 -2.800 589 HA ALA 78 HA ALA 78 -1.313 7.541 -5.244 590 1HB ALA 78 1HB ALA 78 -1.881 5.173 -5.167 591 2HB ALA 78 2HB ALA 78 -3.052 5.486 -3.884 592 3HB ALA 78 3HB ALA 78 -1.331 5.744 -3.591 593 H LYS 79 H LYS 79 -4.738 7.494 -4.414 594 HA LYS 79 HA LYS 79 -5.700 6.814 -6.976 595 1HB LYS 79 2HB LYS 79 -7.128 6.632 -5.033 596 2HB LYS 79 1HB LYS 79 -7.008 8.361 -4.736 597 1HG LYS 79 2HG LYS 79 -8.302 8.869 -6.656 598 2HG LYS 79 1HG LYS 79 -8.201 7.210 -7.243 599 1HD LYS 79 2HD LYS 79 -9.546 8.009 -4.666 600 2HD LYS 79 1HD LYS 79 -10.394 7.801 -6.200 601 1HE LYS 79 2HE LYS 79 -9.594 5.473 -6.298 602 2HE LYS 79 1HE LYS 79 -8.811 5.695 -4.734 603 1HZ LYS 79 1HZ LYS 79 -11.726 6.044 -5.172 604 2HZ LYS 79 2HZ LYS 79 -10.908 5.972 -3.685 605 3HZ LYS 79 3HZ LYS 79 -11.021 4.587 -4.660 606 H HIS 80 H HIS 80 -4.939 9.917 -5.466 607 HA HIS 80 HA HIS 80 -5.887 11.557 -7.558 608 1HB HIS 80 2HB HIS 80 -5.300 12.384 -5.278 609 2HB HIS 80 1HB HIS 80 -3.599 12.135 -5.657 610 HD1 HIS 80 HD1 HIS 80 -2.424 13.947 -7.023 611 HD2 HIS 80 HD2 HIS 80 -6.537 14.505 -6.730 612 HE1 HIS 80 HE1 HIS 80 -2.868 16.241 -7.951 613 HE2 HIS 80 HE2 HIS 80 -5.376 16.475 -7.934 614 H MET 81 H MET 81 -2.892 9.808 -7.077 615 HA MET 81 HA MET 81 -1.500 11.062 -9.237 616 1HB MET 81 2HB MET 81 -0.317 9.992 -7.374 617 2HB MET 81 1HB MET 81 -0.977 8.434 -7.841 618 1HG MET 81 2HG MET 81 0.328 8.330 -9.778 619 2HG MET 81 1HG MET 81 0.720 10.047 -9.710 620 1HE MET 81 1HE MET 81 2.338 7.056 -6.580 621 2HE MET 81 2HE MET 81 1.247 6.562 -7.872 622 3HE MET 81 3HE MET 81 0.679 7.658 -6.612 623 H LEU 82 H LEU 82 -3.581 8.266 -8.901 624 HA LEU 82 HA LEU 82 -3.190 7.170 -11.481 625 1HB LEU 82 2HB LEU 82 -5.520 7.063 -9.568 626 2HB LEU 82 1HB LEU 82 -5.497 6.190 -11.088 627 HG LEU 82 HG LEU 82 -3.441 5.791 -8.915 628 1HD1 LEU 82 1HD1 LEU 82 -4.671 3.741 -8.371 629 2HD1 LEU 82 2HD1 LEU 82 -5.938 4.205 -9.509 630 3HD1 LEU 82 3HD1 LEU 82 -5.641 5.183 -8.073 631 1HD2 LEU 82 1HD2 LEU 82 -2.721 5.154 -11.157 632 2HD2 LEU 82 2HD2 LEU 82 -4.172 4.171 -11.353 633 3HD2 LEU 82 3HD2 LEU 82 -2.966 3.730 -10.145 634 H GLU 83 H GLU 83 -5.296 9.691 -10.223 635 HA GLU 83 HA GLU 83 -6.723 10.015 -12.709 636 1HB GLU 83 2HB GLU 83 -6.687 11.812 -10.272 637 2HB GLU 83 1HB GLU 83 -7.857 11.854 -11.584 638 1HG GLU 83 2HG GLU 83 -8.660 9.646 -10.960 639 2HG GLU 83 1HG GLU 83 -7.462 9.561 -9.669 640 H LYS 84 H LYS 84 -3.776 11.049 -11.449 641 HA LYS 84 HA LYS 84 -3.598 13.717 -12.240 642 1HB LYS 84 2HB LYS 84 -2.033 12.455 -10.722 643 2HB LYS 84 1HB LYS 84 -1.312 11.753 -12.162 644 1HG LYS 84 2HG LYS 84 -0.780 14.063 -12.938 645 2HG LYS 84 1HG LYS 84 -1.353 14.658 -11.378 646 1HD LYS 84 2HD LYS 84 1.035 14.451 -11.280 647 2HD LYS 84 1HD LYS 84 0.325 13.191 -10.270 648 1HE LYS 84 2HE LYS 84 2.111 12.218 -11.532 649 2HE LYS 84 1HE LYS 84 0.586 11.609 -12.171 650 1HZ LYS 84 1HZ LYS 84 1.925 12.158 -14.013 651 2HZ LYS 84 2HZ LYS 84 2.361 13.665 -13.359 652 3HZ LYS 84 3HZ LYS 84 0.776 13.403 -13.899 653 H GLU 85 H GLU 85 -2.874 10.757 -14.060 654 HA GLU 85 HA GLU 85 -2.878 12.389 -16.479 655 1HB GLU 85 2HB GLU 85 -0.956 11.123 -17.404 656 2HB GLU 85 1HB GLU 85 -0.538 12.147 -16.042 657 1HG GLU 85 2HG GLU 85 -0.732 10.074 -14.607 658 2HG GLU 85 1HG GLU 85 -0.786 9.163 -16.117 659 H ASP 86 H ASP 86 -2.809 10.839 -18.470 660 HA ASP 86 HA ASP 86 -5.296 9.398 -18.108 661 1HB ASP 86 2HB ASP 86 -4.700 11.100 -19.976 662 2HB ASP 86 1HB ASP 86 -3.862 9.745 -20.723 663 H SER 87 H SER 87 -1.965 8.701 -18.605 664 HA SER 87 HA SER 87 -2.191 6.215 -19.920 665 1HB SER 87 2HB SER 87 -0.120 7.544 -19.904 666 2HB SER 87 1HB SER 87 0.058 7.250 -18.176 667 HG SER 87 HG SER 87 -0.092 4.903 -18.949 668 H TYR 88 H TYR 88 -3.170 6.970 -16.834 669 HA TYR 88 HA TYR 88 -2.504 4.337 -15.756 670 1HB TYR 88 2HB TYR 88 -3.614 6.835 -14.508 671 2HB TYR 88 1HB TYR 88 -3.661 5.288 -13.670 672 HD1 TYR 88 HD1 TYR 88 -1.887 8.213 -13.852 673 HD2 TYR 88 HD2 TYR 88 -1.241 4.012 -13.903 674 HE1 TYR 88 HE1 TYR 88 0.415 8.562 -13.063 675 HE2 TYR 88 HE2 TYR 88 1.059 4.349 -13.114 676 HH TYR 88 HH TYR 88 2.747 6.039 -13.017 677 H GLN 89 H GLN 89 -4.949 5.710 -17.553 678 HA GLN 89 HA GLN 89 -7.228 4.609 -16.247 679 1HB GLN 89 2HB GLN 89 -7.320 6.501 -17.871 680 2HB GLN 89 1HB GLN 89 -6.942 5.366 -19.161 681 1HG GLN 89 2HG GLN 89 -8.995 4.141 -18.697 682 2HG GLN 89 1HG GLN 89 -9.369 5.253 -17.383 683 1HE2 GLN 89 1HE2 GLN 89 -8.423 7.593 -18.848 684 2HE2 GLN 89 2HE2 GLN 89 -9.632 7.916 -20.045 685 H ASP 90 H ASP 90 -4.760 3.247 -18.140 686 HA ASP 90 HA ASP 90 -6.013 1.097 -19.402 687 1HB ASP 90 2HB ASP 90 -3.255 1.426 -18.238 688 2HB ASP 90 1HB ASP 90 -3.750 -0.064 -19.032 689 H VAL 91 H VAL 91 -5.051 1.535 -16.064 690 HA VAL 91 HA VAL 91 -6.096 -1.153 -15.437 691 HB VAL 91 HB VAL 91 -4.590 -1.102 -13.438 692 1HG1 VAL 91 1HG1 VAL 91 -3.247 -0.902 -16.136 693 2HG1 VAL 91 2HG1 VAL 91 -3.971 -2.349 -15.437 694 3HG1 VAL 91 3HG1 VAL 91 -2.542 -1.632 -14.693 695 1HG2 VAL 91 1HG2 VAL 91 -4.213 1.242 -13.184 696 2HG2 VAL 91 2HG2 VAL 91 -3.559 1.374 -14.816 697 3HG2 VAL 91 3HG2 VAL 91 -2.658 0.505 -13.576 698 H TYR 92 H TYR 92 -6.960 1.909 -15.351 699 HA TYR 92 HA TYR 92 -8.038 1.887 -12.620 700 1HB TYR 92 2HB TYR 92 -6.632 3.842 -13.382 701 2HB TYR 92 1HB TYR 92 -7.891 4.213 -14.549 702 HD1 TYR 92 HD1 TYR 92 -7.371 3.741 -10.881 703 HD2 TYR 92 HD2 TYR 92 -9.600 5.664 -13.954 704 HE1 TYR 92 HE1 TYR 92 -8.517 5.107 -9.192 705 HE2 TYR 92 HE2 TYR 92 -10.748 7.035 -12.271 706 HH TYR 92 HH TYR 92 -9.694 7.400 -9.166 707 H LEU 93 H LEU 93 -10.216 1.990 -12.279 708 HA LEU 93 HA LEU 93 -11.903 0.851 -14.192 709 1HB LEU 93 2HB LEU 93 -12.501 2.332 -11.636 710 2HB LEU 93 1HB LEU 93 -13.755 1.594 -12.609 711 HG LEU 93 HG LEU 93 -13.238 0.126 -10.786 712 1HD1 LEU 93 1HD1 LEU 93 -13.728 -0.932 -12.924 713 2HD1 LEU 93 2HD1 LEU 93 -12.614 -1.901 -11.958 714 3HD1 LEU 93 3HD1 LEU 93 -12.008 -0.948 -13.314 715 1HD2 LEU 93 1HD2 LEU 93 -10.378 0.158 -11.732 716 2HD2 LEU 93 2HD2 LEU 93 -11.032 -0.806 -10.406 717 3HD2 LEU 93 3HD2 LEU 93 -10.992 0.954 -10.284 718 H GLY 94 H GLY 94 -11.509 4.223 -13.203 719 1HA GLY 94 2HA GLY 94 -11.817 6.113 -14.518 720 2HA GLY 94 1HA GLY 94 -12.483 5.089 -15.782 721 H LEU 95 H LEU 95 -14.226 6.445 -16.160 722 HA LEU 95 HA LEU 95 -16.095 6.870 -13.952 723 1HB LEU 95 2HB LEU 95 -16.136 8.004 -16.751 724 2HB LEU 95 1HB LEU 95 -17.205 8.459 -15.439 725 HG LEU 95 HG LEU 95 -14.224 8.943 -15.535 726 1HD1 LEU 95 1HD1 LEU 95 -16.574 10.806 -15.803 727 2HD1 LEU 95 2HD1 LEU 95 -15.392 10.401 -17.048 728 3HD1 LEU 95 3HD1 LEU 95 -14.895 11.317 -15.625 729 1HD2 LEU 95 1HD2 LEU 95 -14.552 10.209 -13.484 730 2HD2 LEU 95 2HD2 LEU 95 -15.018 8.523 -13.259 731 3HD2 LEU 95 3HD2 LEU 95 -16.257 9.761 -13.464 732 H GLU 96 H GLU 96 -17.839 5.620 -13.753 733 HA GLU 96 HA GLU 96 -18.406 3.561 -15.638 734 1HB GLU 96 2HB GLU 96 -18.797 3.285 -13.211 735 2HB GLU 96 1HB GLU 96 -20.068 4.498 -13.289 736 1HG GLU 96 2HG GLU 96 -21.188 2.974 -14.999 737 2HG GLU 96 1HG GLU 96 -20.043 1.742 -14.472 738 H HIS 97 H HIS 97 -18.645 5.090 -17.472 739 HA HIS 97 HA HIS 97 -21.497 5.463 -17.918 740 1HB HIS 97 2HB HIS 97 -19.469 7.679 -18.195 741 2HB HIS 97 1HB HIS 97 -20.959 7.676 -19.132 742 HD1 HIS 97 HD1 HIS 97 -19.830 9.456 -16.482 743 HD2 HIS 97 HD2 HIS 97 -23.122 6.939 -16.869 744 HE1 HIS 97 HE1 HIS 97 -21.418 10.120 -14.647 745 HE2 HIS 97 HE2 HIS 97 -23.308 8.455 -14.785 746 H HIS 98 H HIS 98 -18.502 6.329 -19.681 747 HA HIS 98 HA HIS 98 -19.551 5.031 -22.023 748 1HB HIS 98 2HB HIS 98 -17.458 5.734 -23.145 749 2HB HIS 98 1HB HIS 98 -18.309 7.065 -22.381 750 HD1 HIS 98 HD1 HIS 98 -15.069 5.305 -22.459 751 HD2 HIS 98 HD2 HIS 98 -16.993 8.096 -20.043 752 HE1 HIS 98 HE1 HIS 98 -13.263 6.352 -21.052 753 HE2 HIS 98 HE2 HIS 98 -14.423 8.189 -19.769 754 H HIS 99 H HIS 99 -19.701 3.006 -20.712 755 HA HIS 99 HA HIS 99 -17.577 1.273 -21.703 756 1HB HIS 99 2HB HIS 99 -18.285 1.580 -18.820 757 2HB HIS 99 1HB HIS 99 -17.980 -0.048 -19.414 758 HD1 HIS 99 HD1 HIS 99 -15.560 -0.541 -20.310 759 HD2 HIS 99 HD2 HIS 99 -16.033 3.149 -18.447 760 HE1 HIS 99 HE1 HIS 99 -13.236 0.278 -19.827 761 HE2 HIS 99 HE2 HIS 99 -13.550 2.617 -18.955 762 H HIS 100 H HIS 100 -20.541 2.093 -21.938 763 HA HIS 100 HA HIS 100 -22.574 1.195 -22.330 764 1HB HIS 100 2HB HIS 100 -20.832 -1.152 -23.085 765 2HB HIS 100 1HB HIS 100 -22.575 -1.144 -23.321 766 HD1 HIS 100 HD1 HIS 100 -22.418 -1.222 -25.883 767 HD2 HIS 100 HD2 HIS 100 -20.458 2.031 -24.182 768 HE1 HIS 100 HE1 HIS 100 -21.868 0.320 -27.794 769 HE2 HIS 100 HE2 HIS 100 -20.829 2.352 -26.719 770 H HIS 101 H HIS 101 -21.814 -2.060 -21.587 771 HA HIS 101 HA HIS 101 -22.369 -1.782 -18.745 772 1HB HIS 101 2HB HIS 101 -24.174 -3.258 -20.659 773 2HB HIS 101 1HB HIS 101 -24.082 -3.702 -18.959 774 HD1 HIS 101 HD1 HIS 101 -24.728 -1.700 -17.239 775 HD2 HIS 101 HD2 HIS 101 -25.898 -1.224 -21.206 776 HE1 HIS 101 HE1 HIS 101 -26.518 0.061 -17.214 777 HE2 HIS 101 HE2 HIS 101 -27.068 0.467 -19.636 778 H HIS 102 HN HIS 102 -20.124 -2.561 -20.452 779 HA HIS 102 HA HIS 102 -19.732 -5.287 -19.420 780 1HB HIS 102 2HB HIS 102 -19.130 -4.223 -22.164 781 2HB HIS 102 1HB HIS 102 -18.186 -5.548 -21.491 782 HD1 HIS 102 HD1 HIS 102 -19.116 -7.816 -21.740 783 HD2 HIS 102 HD2 HIS 102 -21.983 -4.873 -22.368 784 HE1 HIS 102 HE1 HIS 102 -21.176 -9.034 -22.521 785 HE2 HIS 102 HE2 HIS 102 -22.932 -7.242 -22.797 Start of MODEL 17 1 1H MET 1 1H MET 1 25.112 -0.100 -2.294 2 2H MET 1 2H MET 1 23.561 -0.784 -2.297 3 3H MET 1 3H MET 1 23.750 0.895 -2.457 4 HA MET 1 HA MET 1 24.835 0.628 -4.563 5 1HB MET 1 2HB MET 1 24.937 -1.584 -5.635 6 2HB MET 1 1HB MET 1 25.897 -1.525 -4.163 7 1HG MET 1 2HG MET 1 24.097 -2.676 -2.958 8 2HG MET 1 1HG MET 1 23.167 -2.762 -4.452 9 1HE MET 1 1HE MET 1 22.931 -5.412 -4.130 10 2HE MET 1 2HE MET 1 23.863 -5.295 -2.637 11 3HE MET 1 3HE MET 1 24.311 -6.479 -3.864 12 H SER 2 H SER 2 21.966 -0.438 -3.040 13 HA SER 2 HA SER 2 20.382 -0.575 -5.435 14 1HB SER 2 2HB SER 2 19.858 -1.809 -3.299 15 2HB SER 2 1HB SER 2 19.446 -0.257 -2.573 16 HG SER 2 HG SER 2 18.232 -1.264 -4.929 17 H ASN 3 H ASN 3 20.160 1.247 -6.592 18 HA ASN 3 HA ASN 3 19.882 3.791 -5.137 19 1HB ASN 3 2HB ASN 3 20.669 3.393 -8.031 20 2HB ASN 3 1HB ASN 3 20.667 4.912 -7.146 21 1HD2 ASN 3 1HD2 ASN 3 22.842 3.685 -8.545 22 2HD2 ASN 3 2HD2 ASN 3 24.093 3.380 -7.389 23 H LEU 4 H LEU 4 17.777 4.128 -4.828 24 HA LEU 4 HA LEU 4 15.577 4.533 -5.237 25 1HB LEU 4 2HB LEU 4 16.546 4.957 -8.065 26 2HB LEU 4 1HB LEU 4 14.975 5.434 -7.454 27 HG LEU 4 HG LEU 4 17.634 6.539 -6.542 28 1HD1 LEU 4 1HD1 LEU 4 16.909 8.596 -7.626 29 2HD1 LEU 4 2HD1 LEU 4 15.434 7.800 -8.175 30 3HD1 LEU 4 3HD1 LEU 4 17.001 7.271 -8.786 31 1HD2 LEU 4 1HD2 LEU 4 15.998 6.483 -4.727 32 2HD2 LEU 4 2HD2 LEU 4 14.828 7.317 -5.749 33 3HD2 LEU 4 3HD2 LEU 4 16.310 8.136 -5.256 34 H GLU 5 H GLU 5 16.647 1.801 -5.539 35 HA GLU 5 HA GLU 5 15.091 0.625 -7.680 36 1HB GLU 5 2HB GLU 5 17.349 -0.216 -7.223 37 2HB GLU 5 1HB GLU 5 16.860 -0.669 -5.597 38 1HG GLU 5 2HG GLU 5 16.918 -2.608 -7.025 39 2HG GLU 5 1HG GLU 5 15.262 -2.267 -6.530 40 H ILE 6 H ILE 6 13.380 -0.730 -7.458 41 HA ILE 6 HA ILE 6 11.862 -0.453 -4.982 42 HB ILE 6 HB ILE 6 10.990 -1.708 -7.590 43 1HG1 ILE 6 2HG1 ILE 6 10.506 1.111 -6.605 44 2HG1 ILE 6 1HG1 ILE 6 11.646 0.674 -7.871 45 1HG2 ILE 6 1HG2 ILE 6 9.418 -0.678 -5.233 46 2HG2 ILE 6 2HG2 ILE 6 9.671 -2.372 -5.655 47 3HG2 ILE 6 3HG2 ILE 6 8.731 -1.328 -6.721 48 1HD1 ILE 6 1HD1 ILE 6 9.579 1.542 -8.798 49 2HD1 ILE 6 2HD1 ILE 6 8.666 0.280 -7.973 50 3HD1 ILE 6 3HD1 ILE 6 9.809 -0.148 -9.247 51 H LYS 7 H LYS 7 12.324 -1.962 -3.489 52 HA LYS 7 HA LYS 7 12.894 -4.690 -4.343 53 1HB LYS 7 2HB LYS 7 13.278 -3.160 -1.819 54 2HB LYS 7 1HB LYS 7 13.062 -4.901 -1.697 55 1HG LYS 7 2HG LYS 7 14.950 -5.247 -3.201 56 2HG LYS 7 1HG LYS 7 15.156 -3.500 -3.344 57 1HD LYS 7 2HD LYS 7 15.222 -4.884 -0.679 58 2HD LYS 7 1HD LYS 7 16.664 -4.756 -1.690 59 1HE LYS 7 2HE LYS 7 14.994 -2.409 -0.801 60 2HE LYS 7 1HE LYS 7 16.455 -2.955 0.021 61 1HZ LYS 7 1HZ LYS 7 17.714 -2.550 -1.996 62 2HZ LYS 7 2HZ LYS 7 16.914 -1.132 -1.513 63 3HZ LYS 7 3HZ LYS 7 16.315 -2.044 -2.801 64 H GLN 8 H GLN 8 11.700 -6.473 -3.632 65 HA GLN 8 HA GLN 8 8.873 -5.768 -3.307 66 1HB GLN 8 2HB GLN 8 9.465 -7.001 -5.340 67 2HB GLN 8 1HB GLN 8 10.144 -8.296 -4.365 68 1HG GLN 8 2HG GLN 8 7.960 -8.797 -3.458 69 2HG GLN 8 1HG GLN 8 7.255 -7.453 -4.356 70 1HE2 GLN 8 1HE2 GLN 8 6.634 -10.311 -4.476 71 2HE2 GLN 8 2HE2 GLN 8 6.875 -10.785 -6.124 72 H GLY 9 H GLY 9 7.829 -6.242 -1.532 73 1HA GLY 9 2HA GLY 9 8.826 -8.443 0.174 74 2HA GLY 9 1HA GLY 9 8.151 -6.958 0.841 75 H GLU 10 H GLU 10 6.658 -8.529 1.921 76 HA GLU 10 HA GLU 10 4.814 -10.069 0.414 77 1HB GLU 10 2HB GLU 10 4.410 -8.914 3.178 78 2HB GLU 10 1HB GLU 10 3.552 -10.275 2.473 79 1HG GLU 10 2HG GLU 10 5.659 -11.539 2.402 80 2HG GLU 10 1HG GLU 10 6.473 -10.180 3.181 81 H ASN 11 H ASN 11 3.714 -8.989 -1.157 82 HA ASN 11 HA ASN 11 2.155 -7.663 -2.132 83 1HB ASN 11 2HB ASN 11 1.179 -7.658 0.709 84 2HB ASN 11 1HB ASN 11 0.356 -6.712 -0.528 85 1HD2 ASN 11 1HD2 ASN 11 -0.798 -7.732 -2.106 86 2HD2 ASN 11 2HD2 ASN 11 -1.183 -9.418 -2.045 87 H LYS 12 H LYS 12 4.657 -6.475 -0.821 88 HA LYS 12 HA LYS 12 3.767 -3.681 -1.004 89 1HB LYS 12 2HB LYS 12 5.332 -3.037 0.761 90 2HB LYS 12 1HB LYS 12 4.169 -4.209 1.361 91 1HG LYS 12 2HG LYS 12 5.745 -5.898 1.507 92 2HG LYS 12 1HG LYS 12 6.843 -5.107 0.377 93 1HD LYS 12 2HD LYS 12 7.774 -4.915 2.571 94 2HD LYS 12 1HD LYS 12 7.203 -3.321 2.078 95 1HE LYS 12 2HE LYS 12 6.609 -3.720 4.383 96 2HE LYS 12 1HE LYS 12 5.151 -3.681 3.395 97 1HZ LYS 12 1HZ LYS 12 5.276 -5.502 5.089 98 2HZ LYS 12 2HZ LYS 12 6.499 -6.211 4.151 99 3HZ LYS 12 3HZ LYS 12 4.944 -6.004 3.509 100 H PHE 13 H PHE 13 4.975 -2.381 -2.237 101 HA PHE 13 HA PHE 13 7.621 -3.341 -3.104 102 1HB PHE 13 2HB PHE 13 5.671 -1.443 -4.425 103 2HB PHE 13 1HB PHE 13 7.348 -1.593 -4.935 104 HD1 PHE 13 HD1 PHE 13 7.858 -4.426 -4.881 105 HD2 PHE 13 HD2 PHE 13 4.343 -2.340 -6.069 106 HE1 PHE 13 HE1 PHE 13 7.263 -6.287 -6.373 107 HE2 PHE 13 HE2 PHE 13 3.739 -4.204 -7.561 108 HZ PHE 13 HZ PHE 13 5.203 -6.178 -7.716 109 H TYR 14 H TYR 14 9.239 -2.369 -2.016 110 HA TYR 14 HA TYR 14 8.731 0.372 -1.085 111 1HB TYR 14 2HB TYR 14 10.025 -0.074 0.941 112 2HB TYR 14 1HB TYR 14 8.642 -1.147 0.820 113 HD1 TYR 14 HD1 TYR 14 12.222 -0.911 1.107 114 HD2 TYR 14 HD2 TYR 14 9.025 -3.554 0.157 115 HE1 TYR 14 HE1 TYR 14 13.708 -2.830 1.477 116 HE2 TYR 14 HE2 TYR 14 10.508 -5.485 0.524 117 HH TYR 14 HH TYR 14 12.934 -5.982 0.501 118 H ILE 15 H ILE 15 10.080 1.846 -1.699 119 HA ILE 15 HA ILE 15 12.571 1.055 -2.989 120 HB ILE 15 HB ILE 15 11.110 3.698 -2.885 121 1HG1 ILE 15 2HG1 ILE 15 11.765 1.770 -5.125 122 2HG1 ILE 15 1HG1 ILE 15 10.180 2.034 -4.408 123 1HG2 ILE 15 1HG2 ILE 15 13.748 3.108 -4.236 124 2HG2 ILE 15 2HG2 ILE 15 13.538 4.095 -2.791 125 3HG2 ILE 15 3HG2 ILE 15 12.844 4.622 -4.324 126 1HD1 ILE 15 1HD1 ILE 15 10.066 4.234 -5.319 127 2HD1 ILE 15 2HD1 ILE 15 10.517 3.121 -6.610 128 3HD1 ILE 15 3HD1 ILE 15 11.741 4.146 -5.865 129 H GLY 16 H GLY 16 14.470 1.281 -2.096 130 1HA GLY 16 2HA GLY 16 15.554 3.046 -0.395 131 2HA GLY 16 1HA GLY 16 14.603 2.035 0.691 132 H ASP 17 H ASP 17 16.350 1.083 1.729 133 HA ASP 17 HA ASP 17 17.818 -0.824 0.046 134 1HB ASP 17 2HB ASP 17 19.257 1.154 0.516 135 2HB ASP 17 1HB ASP 17 19.108 0.810 2.237 136 H ASP 18 H ASP 18 16.635 0.052 3.222 137 HA ASP 18 HA ASP 18 16.811 -2.779 4.026 138 1HB ASP 18 2HB ASP 18 18.372 -1.275 5.296 139 2HB ASP 18 1HB ASP 18 16.976 -0.364 5.854 140 H GLU 19 H GLU 19 15.098 -3.294 5.751 141 HA GLU 19 HA GLU 19 12.534 -2.474 4.833 142 1HB GLU 19 2HB GLU 19 13.307 -3.940 7.365 143 2HB GLU 19 1HB GLU 19 11.670 -3.776 6.746 144 1HG GLU 19 2HG GLU 19 12.339 -4.992 4.716 145 2HG GLU 19 1HG GLU 19 13.950 -5.206 5.398 146 H ASN 20 H ASN 20 14.691 -1.458 7.368 147 HA ASN 20 HA ASN 20 12.769 0.374 8.544 148 1HB ASN 20 2HB ASN 20 15.759 0.100 8.966 149 2HB ASN 20 1HB ASN 20 14.693 1.130 9.911 150 1HD2 ASN 20 1HD2 ASN 20 15.662 -2.138 9.218 151 2HD2 ASN 20 2HD2 ASN 20 14.900 -2.866 10.605 152 H ASN 21 H ASN 21 15.378 0.378 6.242 153 HA ASN 21 HA ASN 21 15.361 3.271 5.951 154 1HB ASN 21 2HB ASN 21 16.990 1.085 4.651 155 2HB ASN 21 1HB ASN 21 17.087 2.767 4.139 156 1HD2 ASN 21 1HD2 ASN 21 19.138 1.049 5.287 157 2HD2 ASN 21 2HD2 ASN 21 19.676 1.860 6.724 158 H ALA 22 H ALA 22 12.941 1.885 5.347 159 HA ALA 22 HA ALA 22 12.661 1.949 2.470 160 1HB ALA 22 1HB ALA 22 10.570 1.700 4.637 161 2HB ALA 22 2HB ALA 22 11.339 0.365 3.777 162 3HB ALA 22 3HB ALA 22 10.295 1.489 2.907 163 H LEU 23 H LEU 23 12.714 3.858 1.501 164 HA LEU 23 HA LEU 23 11.912 6.271 2.894 165 1HB LEU 23 2HB LEU 23 12.937 5.872 0.078 166 2HB LEU 23 1HB LEU 23 12.714 7.419 0.872 167 HG LEU 23 HG LEU 23 14.663 5.288 1.754 168 1HD1 LEU 23 1HD1 LEU 23 15.111 7.892 0.303 169 2HD1 LEU 23 2HD1 LEU 23 15.327 6.274 -0.365 170 3HD1 LEU 23 3HD1 LEU 23 16.378 6.840 0.935 171 1HD2 LEU 23 1HD2 LEU 23 13.870 6.647 3.610 172 2HD2 LEU 23 2HD2 LEU 23 14.236 8.116 2.707 173 3HD2 LEU 23 3HD2 LEU 23 15.543 7.049 3.221 174 H ALA 24 H ALA 24 10.609 4.022 0.669 175 HA ALA 24 HA ALA 24 8.077 5.394 0.699 176 1HB ALA 24 1HB ALA 24 9.149 6.492 -1.190 177 2HB ALA 24 2HB ALA 24 7.828 5.461 -1.740 178 3HB ALA 24 3HB ALA 24 9.499 4.926 -1.920 179 H GLU 25 H GLU 25 6.923 3.669 1.462 180 HA GLU 25 HA GLU 25 7.182 1.188 -0.101 181 1HB GLU 25 2HB GLU 25 6.630 -0.128 1.753 182 2HB GLU 25 1HB GLU 25 7.728 1.077 2.396 183 1HG GLU 25 2HG GLU 25 4.779 1.501 2.572 184 2HG GLU 25 1HG GLU 25 5.586 0.417 3.700 185 H ILE 26 H ILE 26 5.518 0.526 -1.253 186 HA ILE 26 HA ILE 26 2.876 1.677 -0.653 187 HB ILE 26 HB ILE 26 3.758 2.659 -2.717 188 1HG1 ILE 26 2HG1 ILE 26 1.564 0.669 -3.333 189 2HG1 ILE 26 1HG1 ILE 26 1.324 2.187 -2.474 190 1HG2 ILE 26 1HG2 ILE 26 5.272 0.909 -3.412 191 2HG2 ILE 26 2HG2 ILE 26 4.136 1.271 -4.713 192 3HG2 ILE 26 3HG2 ILE 26 3.918 -0.176 -3.726 193 1HD1 ILE 26 1HD1 ILE 26 0.686 2.353 -4.822 194 2HD1 ILE 26 2HD1 ILE 26 2.327 1.920 -5.301 195 3HD1 ILE 26 3HD1 ILE 26 2.029 3.428 -4.439 196 H THR 27 H THR 27 1.351 0.235 -0.209 197 HA THR 27 HA THR 27 1.950 -2.594 -0.753 198 HB THR 27 HB THR 27 0.337 -3.070 1.103 199 HG1 THR 27 HG1 THR 27 -0.771 -1.470 1.895 200 1HG2 THR 27 1HG2 THR 27 1.866 -2.400 2.919 201 2HG2 THR 27 2HG2 THR 27 2.717 -1.348 1.786 202 3HG2 THR 27 3HG2 THR 27 2.719 -3.093 1.539 203 H TYR 28 H TYR 28 0.504 -3.867 -1.797 204 HA TYR 28 HA TYR 28 -2.117 -2.702 -2.444 205 1HB TYR 28 2HB TYR 28 -2.013 -3.681 -4.696 206 2HB TYR 28 1HB TYR 28 -0.726 -2.512 -4.447 207 HD1 TYR 28 HD1 TYR 28 1.616 -3.373 -3.999 208 HD2 TYR 28 HD2 TYR 28 -1.543 -5.903 -5.319 209 HE1 TYR 28 HE1 TYR 28 3.261 -5.042 -4.730 210 HE2 TYR 28 HE2 TYR 28 0.100 -7.579 -6.050 211 HH TYR 28 HH TYR 28 3.360 -7.472 -5.143 212 H ARG 29 H ARG 29 -3.771 -3.966 -1.945 213 HA ARG 29 HA ARG 29 -3.180 -6.793 -1.339 214 1HB ARG 29 2HB ARG 29 -3.926 -5.099 0.528 215 2HB ARG 29 1HB ARG 29 -5.528 -5.348 -0.154 216 1HG ARG 29 2HG ARG 29 -5.228 -6.844 1.691 217 2HG ARG 29 1HG ARG 29 -5.247 -7.786 0.197 218 1HD ARG 29 2HD ARG 29 -2.654 -7.453 0.313 219 2HD ARG 29 1HD ARG 29 -2.970 -7.155 2.021 220 HE ARG 29 HE ARG 29 -4.199 -9.559 1.061 221 1HH1 ARG 29 2HH1 ARG 29 -1.263 -8.157 2.374 222 2HH1 ARG 29 1HH1 ARG 29 -0.599 -9.693 2.844 223 1HH2 ARG 29 1HH2 ARG 29 -3.310 -11.575 1.673 224 2HH2 ARG 29 2HH2 ARG 29 -1.743 -11.629 2.428 225 H PHE 30 H PHE 30 -5.213 -8.192 -1.503 226 HA PHE 30 HA PHE 30 -6.478 -7.565 -4.070 227 1HB PHE 30 2HB PHE 30 -6.224 -10.189 -2.580 228 2HB PHE 30 1HB PHE 30 -7.051 -9.990 -4.120 229 HD1 PHE 30 HD1 PHE 30 -5.836 -9.786 -6.161 230 HD2 PHE 30 HD2 PHE 30 -3.787 -9.987 -2.436 231 HE1 PHE 30 HE1 PHE 30 -3.720 -10.185 -7.351 232 HE2 PHE 30 HE2 PHE 30 -1.667 -10.382 -3.618 233 HZ PHE 30 HZ PHE 30 -1.630 -10.483 -6.079 234 H VAL 31 H VAL 31 -8.361 -6.522 -3.814 235 HA VAL 31 HA VAL 31 -10.216 -7.311 -1.712 236 HB VAL 31 HB VAL 31 -11.759 -5.639 -2.770 237 1HG1 VAL 31 1HG1 VAL 31 -10.316 -5.014 -0.914 238 2HG1 VAL 31 2HG1 VAL 31 -10.495 -3.670 -2.044 239 3HG1 VAL 31 3HG1 VAL 31 -9.013 -4.628 -2.038 240 1HG2 VAL 31 1HG2 VAL 31 -10.926 -5.743 -5.054 241 2HG2 VAL 31 2HG2 VAL 31 -9.376 -5.081 -4.536 242 3HG2 VAL 31 3HG2 VAL 31 -10.832 -4.091 -4.440 243 H ASP 32 H ASP 32 -9.506 -7.911 -4.989 244 HA ASP 32 HA ASP 32 -11.538 -10.000 -5.050 245 1HB ASP 32 2HB ASP 32 -12.538 -8.177 -6.334 246 2HB ASP 32 1HB ASP 32 -11.059 -7.985 -7.270 247 H ASN 33 H ASN 33 -10.977 -11.567 -6.858 248 HA ASN 33 HA ASN 33 -8.329 -12.431 -6.430 249 1HB ASN 33 2HB ASN 33 -10.248 -13.379 -8.568 250 2HB ASN 33 1HB ASN 33 -8.844 -14.248 -7.963 251 1HD2 ASN 33 1HD2 ASN 33 -9.751 -15.993 -7.101 252 2HD2 ASN 33 2HD2 ASN 33 -10.928 -15.981 -5.832 253 H ASN 34 H ASN 34 -9.774 -10.418 -8.862 254 HA ASN 34 HA ASN 34 -7.146 -10.269 -10.195 255 1HB ASN 34 2HB ASN 34 -9.879 -10.352 -11.459 256 2HB ASN 34 1HB ASN 34 -8.495 -9.667 -12.301 257 1HD2 ASN 34 1HD2 ASN 34 -6.808 -11.015 -12.946 258 2HD2 ASN 34 2HD2 ASN 34 -6.995 -12.738 -13.020 259 H GLU 35 H GLU 35 -8.671 -8.617 -8.089 260 HA GLU 35 HA GLU 35 -8.138 -6.046 -9.398 261 1HB GLU 35 2HB GLU 35 -10.533 -6.481 -7.605 262 2HB GLU 35 1HB GLU 35 -10.133 -5.032 -8.519 263 1HG GLU 35 2HG GLU 35 -10.384 -6.399 -10.609 264 2HG GLU 35 1HG GLU 35 -11.013 -7.696 -9.600 265 H ILE 36 H ILE 36 -6.788 -4.844 -8.264 266 HA ILE 36 HA ILE 36 -6.283 -5.636 -5.471 267 HB ILE 36 HB ILE 36 -3.977 -4.816 -5.787 268 1HG1 ILE 36 2HG1 ILE 36 -4.747 -4.584 -8.707 269 2HG1 ILE 36 1HG1 ILE 36 -4.456 -3.226 -7.626 270 1HG2 ILE 36 1HG2 ILE 36 -4.857 -6.937 -7.737 271 2HG2 ILE 36 2HG2 ILE 36 -4.462 -7.173 -6.033 272 3HG2 ILE 36 3HG2 ILE 36 -3.204 -6.688 -7.173 273 1HD1 ILE 36 1HD1 ILE 36 -2.544 -3.659 -9.060 274 2HD1 ILE 36 2HD1 ILE 36 -2.428 -5.300 -8.423 275 3HD1 ILE 36 3HD1 ILE 36 -2.141 -3.919 -7.364 276 H ASN 37 H ASN 37 -5.801 -4.054 -3.943 277 HA ASN 37 HA ASN 37 -6.448 -1.288 -4.731 278 1HB ASN 37 2HB ASN 37 -7.599 -0.932 -2.686 279 2HB ASN 37 1HB ASN 37 -8.189 -2.475 -3.289 280 1HD2 ASN 37 1HD2 ASN 37 -6.480 -0.847 -0.801 281 2HD2 ASN 37 2HD2 ASN 37 -6.223 -2.209 0.236 282 H ILE 38 H ILE 38 -5.072 0.283 -4.055 283 HA ILE 38 HA ILE 38 -2.627 -0.556 -2.733 284 HB ILE 38 HB ILE 38 -3.473 2.072 -3.957 285 1HG1 ILE 38 2HG1 ILE 38 -1.391 1.608 -5.355 286 2HG1 ILE 38 1HG1 ILE 38 -1.388 -0.004 -4.655 287 1HG2 ILE 38 1HG2 ILE 38 -0.948 1.470 -2.427 288 2HG2 ILE 38 2HG2 ILE 38 -2.197 2.641 -2.003 289 3HG2 ILE 38 3HG2 ILE 38 -1.196 2.897 -3.433 290 1HD1 ILE 38 1HD1 ILE 38 -3.581 -0.433 -5.619 291 2HD1 ILE 38 2HD1 ILE 38 -2.407 0.022 -6.855 292 3HD1 ILE 38 3HD1 ILE 38 -3.602 1.195 -6.300 293 H ASP 39 H ASP 39 -2.750 -0.792 -0.615 294 HA ASP 39 HA ASP 39 -4.681 0.512 1.024 295 1HB ASP 39 2HB ASP 39 -2.190 -0.968 1.902 296 2HB ASP 39 1HB ASP 39 -3.576 -0.574 2.909 297 H HIS 40 H HIS 40 -1.131 0.618 1.156 298 HA HIS 40 HA HIS 40 -1.331 3.368 2.178 299 1HB HIS 40 2HB HIS 40 -0.913 2.073 4.115 300 2HB HIS 40 1HB HIS 40 0.241 1.045 3.279 301 HD1 HIS 40 HD1 HIS 40 -0.053 4.609 4.583 302 HD2 HIS 40 HD2 HIS 40 2.839 1.799 3.546 303 HE1 HIS 40 HE1 HIS 40 2.154 5.604 5.278 304 HE2 HIS 40 HE2 HIS 40 3.898 3.968 4.471 305 H THR 41 H THR 41 -0.118 4.780 1.178 306 HA THR 41 HA THR 41 2.296 3.870 -0.243 307 HB THR 41 HB THR 41 0.642 6.300 -0.949 308 HG1 THR 41 HG1 THR 41 0.487 3.623 -1.819 309 1HG2 THR 41 1HG2 THR 41 2.838 4.837 -2.422 310 2HG2 THR 41 2HG2 THR 41 2.968 6.422 -1.664 311 3HG2 THR 41 3HG2 THR 41 1.913 6.198 -3.059 312 H GLY 42 H GLY 42 3.828 4.302 1.291 313 1HA GLY 42 2HA GLY 42 3.706 6.946 2.598 314 2HA GLY 42 1HA GLY 42 4.514 5.531 3.258 315 H VAL 43 H VAL 43 4.784 8.276 1.235 316 HA VAL 43 HA VAL 43 7.561 7.535 0.581 317 HB VAL 43 HB VAL 43 5.835 9.539 -0.891 318 1HG1 VAL 43 1HG1 VAL 43 8.506 8.315 -1.570 319 2HG1 VAL 43 2HG1 VAL 43 8.204 9.984 -1.085 320 3HG1 VAL 43 3HG1 VAL 43 7.575 9.383 -2.619 321 1HG2 VAL 43 1HG2 VAL 43 4.883 7.339 -1.214 322 2HG2 VAL 43 2HG2 VAL 43 6.465 6.686 -1.635 323 3HG2 VAL 43 3HG2 VAL 43 5.688 7.865 -2.691 324 H SER 44 H SER 44 9.066 8.711 1.658 325 HA SER 44 HA SER 44 8.385 11.001 3.198 326 1HB SER 44 2HB SER 44 11.148 10.206 2.298 327 2HB SER 44 1HB SER 44 10.726 11.168 3.707 328 HG SER 44 HG SER 44 10.567 9.380 4.775 329 H ASP 45 H ASP 45 8.237 13.047 2.607 330 HA ASP 45 HA ASP 45 8.756 13.679 -0.192 331 1HB ASP 45 2HB ASP 45 7.346 15.638 0.159 332 2HB ASP 45 1HB ASP 45 6.525 14.182 0.705 333 H GLU 46 H GLU 46 10.981 13.437 1.545 334 HA GLU 46 HA GLU 46 12.022 15.780 2.584 335 1HB GLU 46 2HB GLU 46 13.547 13.600 1.144 336 2HB GLU 46 1HB GLU 46 14.225 14.758 2.280 337 1HG GLU 46 2HG GLU 46 12.192 12.628 2.911 338 2HG GLU 46 1HG GLU 46 13.907 12.593 3.322 339 H LEU 47 H LEU 47 11.819 14.732 -0.745 340 HA LEU 47 HA LEU 47 13.486 16.950 -1.641 341 1HB LEU 47 2HB LEU 47 12.273 14.619 -3.117 342 2HB LEU 47 1HB LEU 47 13.123 15.923 -3.920 343 HG LEU 47 HG LEU 47 15.133 15.314 -2.461 344 1HD1 LEU 47 1HD1 LEU 47 15.209 13.004 -1.654 345 2HD1 LEU 47 2HD1 LEU 47 13.504 12.811 -2.057 346 3HD1 LEU 47 3HD1 LEU 47 13.991 13.954 -0.805 347 1HD2 LEU 47 1HD2 LEU 47 15.798 13.503 -3.967 348 2HD2 LEU 47 2HD2 LEU 47 15.017 14.824 -4.836 349 3HD2 LEU 47 3HD2 LEU 47 14.127 13.338 -4.503 350 H GLY 48 H GLY 48 10.436 16.794 -0.696 351 1HA GLY 48 2HA GLY 48 8.534 17.998 -1.144 352 2HA GLY 48 1HA GLY 48 9.539 19.038 -2.146 353 H GLY 49 H GLY 49 9.003 15.594 -2.593 354 1HA GLY 49 2HA GLY 49 7.535 14.629 -4.227 355 2HA GLY 49 1HA GLY 49 7.512 16.179 -5.058 356 H GLN 50 H GLN 50 8.644 13.127 -5.263 357 HA GLN 50 HA GLN 50 10.814 13.930 -7.054 358 1HB GLN 50 2HB GLN 50 12.281 12.181 -6.206 359 2HB GLN 50 1HB GLN 50 11.858 13.296 -4.916 360 1HG GLN 50 2HG GLN 50 10.399 10.702 -5.319 361 2HG GLN 50 1HG GLN 50 11.886 10.806 -4.383 362 1HE2 GLN 50 1HE2 GLN 50 11.859 11.765 -2.389 363 2HE2 GLN 50 2HE2 GLN 50 10.394 12.139 -1.549 364 H GLY 51 H GLY 51 11.554 11.946 -8.381 365 1HA GLY 51 2HA GLY 51 9.270 11.003 -9.785 366 2HA GLY 51 1HA GLY 51 10.934 10.526 -10.081 367 H VAL 52 H VAL 52 10.906 9.775 -7.068 368 HA VAL 52 HA VAL 52 10.729 7.047 -7.222 369 HB VAL 52 HB VAL 52 10.220 8.869 -4.870 370 1HG1 VAL 52 1HG1 VAL 52 10.737 5.904 -4.758 371 2HG1 VAL 52 2HG1 VAL 52 9.161 6.653 -4.508 372 3HG1 VAL 52 3HG1 VAL 52 10.488 6.991 -3.395 373 1HG2 VAL 52 1HG2 VAL 52 12.498 8.231 -4.243 374 2HG2 VAL 52 2HG2 VAL 52 12.450 8.984 -5.836 375 3HG2 VAL 52 3HG2 VAL 52 12.617 7.235 -5.694 376 H GLY 53 H GLY 53 8.113 9.330 -6.613 377 1HA GLY 53 2HA GLY 53 6.145 7.536 -5.751 378 2HA GLY 53 1HA GLY 53 5.837 9.073 -6.544 379 H LYS 54 H LYS 54 6.905 8.630 -9.057 380 HA LYS 54 HA LYS 54 4.771 7.071 -10.171 381 1HB LYS 54 2HB LYS 54 5.364 9.132 -11.274 382 2HB LYS 54 1HB LYS 54 7.026 8.598 -11.481 383 1HG LYS 54 2HG LYS 54 6.456 7.077 -13.154 384 2HG LYS 54 1HG LYS 54 4.751 7.079 -12.706 385 1HD LYS 54 2HD LYS 54 6.138 9.528 -13.771 386 2HD LYS 54 1HD LYS 54 5.393 8.329 -14.831 387 1HE LYS 54 2HE LYS 54 3.253 8.656 -13.630 388 2HE LYS 54 1HE LYS 54 4.015 9.923 -12.669 389 1HZ LYS 54 1HZ LYS 54 3.892 10.018 -15.626 390 2HZ LYS 54 2HZ LYS 54 4.269 11.282 -14.560 391 3HZ LYS 54 3HZ LYS 54 2.682 10.681 -14.642 392 H LYS 55 H LYS 55 8.154 6.569 -9.537 393 HA LYS 55 HA LYS 55 8.648 4.358 -11.185 394 1HB LYS 55 2HB LYS 55 9.664 4.872 -8.379 395 2HB LYS 55 1HB LYS 55 10.329 3.689 -9.492 396 1HG LYS 55 2HG LYS 55 11.059 5.418 -10.988 397 2HG LYS 55 1HG LYS 55 10.257 6.651 -10.014 398 1HD LYS 55 2HD LYS 55 12.207 6.892 -8.949 399 2HD LYS 55 1HD LYS 55 11.869 5.332 -8.200 400 1HE LYS 55 2HE LYS 55 13.405 5.748 -10.765 401 2HE LYS 55 1HE LYS 55 14.121 5.436 -9.188 402 1HZ LYS 55 1HZ LYS 55 12.879 3.300 -9.175 403 2HZ LYS 55 2HZ LYS 55 14.055 3.406 -10.383 404 3HZ LYS 55 3HZ LYS 55 12.417 3.601 -10.778 405 H LEU 56 H LEU 56 7.277 4.556 -7.932 406 HA LEU 56 HA LEU 56 6.844 1.819 -7.510 407 1HB LEU 56 2HB LEU 56 5.377 4.237 -6.452 408 2HB LEU 56 1HB LEU 56 5.096 2.603 -5.881 409 HG LEU 56 HG LEU 56 7.743 4.051 -5.696 410 1HD1 LEU 56 1HD1 LEU 56 6.064 5.104 -4.279 411 2HD1 LEU 56 2HD1 LEU 56 7.251 4.234 -3.309 412 3HD1 LEU 56 3HD1 LEU 56 5.653 3.537 -3.582 413 1HD2 LEU 56 1HD2 LEU 56 7.975 1.629 -5.806 414 2HD2 LEU 56 2HD2 LEU 56 6.790 1.443 -4.512 415 3HD2 LEU 56 3HD2 LEU 56 8.341 2.217 -4.184 416 H LEU 57 H LEU 57 4.672 4.329 -8.784 417 HA LEU 57 HA LEU 57 2.431 2.703 -9.158 418 1HB LEU 57 2HB LEU 57 3.329 5.314 -10.221 419 2HB LEU 57 1HB LEU 57 2.086 4.486 -11.138 420 HG LEU 57 HG LEU 57 0.724 4.352 -9.036 421 1HD1 LEU 57 1HD1 LEU 57 1.298 5.939 -7.234 422 2HD1 LEU 57 2HD1 LEU 57 2.866 6.195 -7.999 423 3HD1 LEU 57 3HD1 LEU 57 2.440 4.603 -7.374 424 1HD2 LEU 57 1HD2 LEU 57 1.477 7.103 -10.008 425 2HD2 LEU 57 2HD2 LEU 57 0.001 6.680 -9.141 426 3HD2 LEU 57 3HD2 LEU 57 0.297 6.022 -10.750 427 H LYS 58 H LYS 58 5.096 3.442 -11.384 428 HA LYS 58 HA LYS 58 4.066 2.188 -13.654 429 1HB LYS 58 2HB LYS 58 6.155 3.622 -13.512 430 2HB LYS 58 1HB LYS 58 6.989 2.203 -12.889 431 1HG LYS 58 2HG LYS 58 5.685 1.346 -15.211 432 2HG LYS 58 1HG LYS 58 6.371 2.921 -15.603 433 1HD LYS 58 2HD LYS 58 7.995 1.255 -16.143 434 2HD LYS 58 1HD LYS 58 8.560 2.111 -14.707 435 1HE LYS 58 2HE LYS 58 7.775 0.300 -13.290 436 2HE LYS 58 1HE LYS 58 7.116 -0.539 -14.695 437 1HZ LYS 58 1HZ LYS 58 9.992 0.088 -14.305 438 2HZ LYS 58 2HZ LYS 58 9.321 -0.839 -15.558 439 3HZ LYS 58 3HZ LYS 58 9.284 -1.413 -13.960 440 H ALA 59 H ALA 59 5.961 0.871 -10.976 441 HA ALA 59 HA ALA 59 6.247 -1.741 -12.027 442 1HB ALA 59 1HB ALA 59 6.298 -0.830 -9.149 443 2HB ALA 59 2HB ALA 59 7.679 -0.870 -10.246 444 3HB ALA 59 3HB ALA 59 6.896 -2.372 -9.758 445 H VAL 60 H VAL 60 3.873 -0.275 -9.843 446 HA VAL 60 HA VAL 60 2.420 -2.629 -9.297 447 HB VAL 60 HB VAL 60 1.473 0.246 -9.278 448 1HG1 VAL 60 1HG1 VAL 60 -0.340 -0.562 -7.825 449 2HG1 VAL 60 2HG1 VAL 60 0.201 -2.220 -8.089 450 3HG1 VAL 60 3HG1 VAL 60 -0.423 -1.271 -9.439 451 1HG2 VAL 60 1HG2 VAL 60 1.830 0.109 -6.866 452 2HG2 VAL 60 2HG2 VAL 60 3.329 -0.205 -7.742 453 3HG2 VAL 60 3HG2 VAL 60 2.422 -1.544 -7.038 454 H VAL 61 H VAL 61 1.898 -0.063 -11.711 455 HA VAL 61 HA VAL 61 -0.411 -1.182 -12.874 456 HB VAL 61 HB VAL 61 1.665 0.635 -14.119 457 1HG1 VAL 61 1HG1 VAL 61 -0.073 1.216 -15.749 458 2HG1 VAL 61 2HG1 VAL 61 -1.125 -0.020 -15.058 459 3HG1 VAL 61 3HG1 VAL 61 0.381 -0.484 -15.849 460 1HG2 VAL 61 1HG2 VAL 61 0.612 1.605 -12.155 461 2HG2 VAL 61 2HG2 VAL 61 -0.985 1.249 -12.816 462 3HG2 VAL 61 3HG2 VAL 61 0.061 2.423 -13.616 463 H GLU 62 H GLU 62 3.028 -1.621 -13.559 464 HA GLU 62 HA GLU 62 2.782 -3.137 -15.908 465 1HB GLU 62 2HB GLU 62 4.880 -2.086 -14.884 466 2HB GLU 62 1HB GLU 62 4.938 -3.490 -13.829 467 1HG GLU 62 2HG GLU 62 6.416 -3.842 -15.663 468 2HG GLU 62 1HG GLU 62 5.039 -4.932 -15.831 469 H HIS 63 H HIS 63 3.079 -4.100 -12.511 470 HA HIS 63 HA HIS 63 2.855 -6.893 -12.986 471 1HB HIS 63 2HB HIS 63 3.883 -5.876 -10.965 472 2HB HIS 63 1HB HIS 63 2.291 -5.341 -10.449 473 HD1 HIS 63 HD1 HIS 63 3.592 -8.751 -11.599 474 HD2 HIS 63 HD2 HIS 63 1.501 -6.969 -8.468 475 HE1 HIS 63 HE1 HIS 63 3.057 -10.611 -9.989 476 HE2 HIS 63 HE2 HIS 63 1.946 -9.478 -8.033 477 H ALA 64 H ALA 64 0.547 -4.330 -12.548 478 HA ALA 64 HA ALA 64 -1.719 -5.941 -12.017 479 1HB ALA 64 1HB ALA 64 -1.581 -3.230 -13.324 480 2HB ALA 64 2HB ALA 64 -1.696 -3.538 -11.590 481 3HB ALA 64 3HB ALA 64 -3.027 -3.986 -12.657 482 H ARG 65 H ARG 65 -0.579 -4.430 -15.059 483 HA ARG 65 HA ARG 65 -2.498 -5.680 -16.705 484 1HB ARG 65 2HB ARG 65 0.287 -4.777 -17.472 485 2HB ARG 65 1HB ARG 65 -1.031 -5.105 -18.584 486 1HG ARG 65 2HG ARG 65 -2.301 -3.247 -17.583 487 2HG ARG 65 1HG ARG 65 -0.920 -2.899 -16.540 488 1HD ARG 65 2HD ARG 65 -0.992 -2.787 -19.554 489 2HD ARG 65 1HD ARG 65 -0.885 -1.418 -18.450 490 HE ARG 65 HE ARG 65 1.262 -3.337 -18.189 491 1HH1 ARG 65 2HH1 ARG 65 0.150 -0.487 -19.890 492 2HH1 ARG 65 1HH1 ARG 65 1.748 0.077 -20.273 493 1HH2 ARG 65 1HH2 ARG 65 3.381 -2.602 -18.683 494 2HH2 ARG 65 2HH2 ARG 65 3.584 -1.118 -19.573 495 H GLU 66 H GLU 66 0.650 -6.634 -15.557 496 HA GLU 66 HA GLU 66 1.249 -8.821 -17.119 497 1HB GLU 66 2HB GLU 66 2.788 -7.884 -15.499 498 2HB GLU 66 1HB GLU 66 1.736 -8.357 -14.175 499 1HG GLU 66 2HG GLU 66 2.148 -10.714 -14.713 500 2HG GLU 66 1HG GLU 66 3.238 -10.215 -16.006 501 H ASN 67 H ASN 67 -0.767 -8.755 -14.174 502 HA ASN 67 HA ASN 67 -1.421 -11.588 -14.659 503 1HB ASN 67 2HB ASN 67 -1.723 -9.964 -12.121 504 2HB ASN 67 1HB ASN 67 -2.140 -11.664 -12.299 505 1HD2 ASN 67 1HD2 ASN 67 0.242 -12.110 -14.039 506 2HD2 ASN 67 2HD2 ASN 67 1.577 -12.171 -12.946 507 H ASN 68 H ASN 68 -2.628 -8.853 -15.623 508 HA ASN 68 HA ASN 68 -4.653 -7.961 -16.134 509 1HB ASN 68 2HB ASN 68 -5.002 -10.224 -17.130 510 2HB ASN 68 1HB ASN 68 -5.730 -10.743 -15.616 511 1HD2 ASN 68 1HD2 ASN 68 -6.129 -7.602 -17.171 512 2HD2 ASN 68 2HD2 ASN 68 -7.820 -7.782 -17.493 513 H LEU 69 H LEU 69 -4.248 -6.852 -14.062 514 HA LEU 69 HA LEU 69 -6.317 -7.511 -12.073 515 1HB LEU 69 2HB LEU 69 -3.665 -6.155 -11.562 516 2HB LEU 69 1HB LEU 69 -4.865 -6.577 -10.357 517 HG LEU 69 HG LEU 69 -3.309 -8.565 -12.012 518 1HD1 LEU 69 1HD1 LEU 69 -2.100 -9.027 -9.945 519 2HD1 LEU 69 2HD1 LEU 69 -2.995 -7.748 -9.126 520 3HD1 LEU 69 3HD1 LEU 69 -1.885 -7.346 -10.437 521 1HD2 LEU 69 1HD2 LEU 69 -5.134 -8.964 -9.643 522 2HD2 LEU 69 2HD2 LEU 69 -4.218 -10.218 -10.475 523 3HD2 LEU 69 3HD2 LEU 69 -5.518 -9.375 -11.315 524 H LYS 70 H LYS 70 -7.653 -5.903 -11.436 525 HA LYS 70 HA LYS 70 -7.490 -3.337 -12.791 526 1HB LYS 70 2HB LYS 70 -9.510 -4.461 -10.834 527 2HB LYS 70 1HB LYS 70 -9.619 -2.854 -11.531 528 1HG LYS 70 2HG LYS 70 -11.072 -4.176 -12.800 529 2HG LYS 70 1HG LYS 70 -9.630 -4.001 -13.801 530 1HD LYS 70 2HD LYS 70 -8.887 -6.205 -13.216 531 2HD LYS 70 1HD LYS 70 -10.177 -6.376 -12.026 532 1HE LYS 70 2HE LYS 70 -10.569 -6.078 -15.003 533 2HE LYS 70 1HE LYS 70 -10.644 -7.597 -14.111 534 1HZ LYS 70 1HZ LYS 70 -12.848 -6.693 -14.521 535 2HZ LYS 70 2HZ LYS 70 -12.446 -5.265 -13.701 536 3HZ LYS 70 3HZ LYS 70 -12.519 -6.736 -12.857 537 H ILE 71 H ILE 71 -7.239 -1.317 -11.698 538 HA ILE 71 HA ILE 71 -5.873 -1.630 -9.103 539 HB ILE 71 HB ILE 71 -5.354 0.408 -11.271 540 1HG1 ILE 71 2HG1 ILE 71 -3.662 -1.876 -10.228 541 2HG1 ILE 71 1HG1 ILE 71 -4.495 -1.840 -11.779 542 1HG2 ILE 71 1HG2 ILE 71 -4.009 0.055 -8.593 543 2HG2 ILE 71 2HG2 ILE 71 -5.058 1.391 -9.068 544 3HG2 ILE 71 3HG2 ILE 71 -3.501 1.171 -9.865 545 1HD1 ILE 71 1HD1 ILE 71 -2.297 0.034 -10.940 546 2HD1 ILE 71 2HD1 ILE 71 -3.103 0.002 -12.508 547 3HD1 ILE 71 3HD1 ILE 71 -2.111 -1.365 -11.998 548 H ILE 72 H ILE 72 -6.958 -0.841 -7.457 549 HA ILE 72 HA ILE 72 -8.063 1.876 -7.741 550 HB ILE 72 HB ILE 72 -9.618 1.344 -5.850 551 1HG1 ILE 72 2HG1 ILE 72 -8.857 -1.519 -6.471 552 2HG1 ILE 72 1HG1 ILE 72 -8.423 -0.645 -5.006 553 1HG2 ILE 72 1HG2 ILE 72 -11.265 0.157 -7.238 554 2HG2 ILE 72 2HG2 ILE 72 -9.985 -0.242 -8.384 555 3HG2 ILE 72 3HG2 ILE 72 -10.439 1.442 -8.119 556 1HD1 ILE 72 1HD1 ILE 72 -11.199 -1.389 -5.892 557 2HD1 ILE 72 2HD1 ILE 72 -10.814 -0.428 -4.466 558 3HD1 ILE 72 3HD1 ILE 72 -10.280 -2.105 -4.569 559 H ALA 73 H ALA 73 -7.697 3.254 -5.885 560 HA ALA 73 HA ALA 73 -5.575 2.235 -4.112 561 1HB ALA 73 1HB ALA 73 -4.561 3.603 -5.854 562 2HB ALA 73 2HB ALA 73 -4.430 4.391 -4.281 563 3HB ALA 73 3HB ALA 73 -5.636 4.939 -5.446 564 H SER 74 H SER 74 -5.768 2.700 -2.008 565 HA SER 74 HA SER 74 -8.143 4.091 -1.115 566 1HB SER 74 2HB SER 74 -5.939 2.854 0.552 567 2HB SER 74 1HB SER 74 -7.578 3.247 1.071 568 HG SER 74 HG SER 74 -8.299 1.469 0.181 569 H CYS 75 H CYS 75 -4.626 4.486 -0.894 570 HA CYS 75 HA CYS 75 -4.638 6.827 0.664 571 1HB CYS 75 2HB CYS 75 -2.609 5.766 -1.304 572 2HB CYS 75 1HB CYS 75 -2.333 7.181 -0.291 573 HG CYS 75 HG CYS 75 -3.096 4.125 1.041 574 H SER 76 H SER 76 -5.150 8.833 0.210 575 HA SER 76 HA SER 76 -6.403 9.609 -2.158 576 1HB SER 76 2HB SER 76 -5.092 11.498 -0.205 577 2HB SER 76 1HB SER 76 -6.539 11.772 -1.179 578 HG SER 76 HG SER 76 -7.719 10.626 0.187 579 H PHE 77 H PHE 77 -3.075 9.995 -1.062 580 HA PHE 77 HA PHE 77 -2.213 11.847 -2.989 581 1HB PHE 77 2HB PHE 77 -0.961 11.296 -0.938 582 2HB PHE 77 1HB PHE 77 -0.628 9.690 -1.575 583 HD1 PHE 77 HD1 PHE 77 1.268 9.305 -2.865 584 HD2 PHE 77 HD2 PHE 77 -0.078 13.298 -2.254 585 HE1 PHE 77 HE1 PHE 77 3.323 10.156 -3.918 586 HE2 PHE 77 HE2 PHE 77 1.973 14.154 -3.307 587 HZ PHE 77 HZ PHE 77 3.679 12.583 -4.139 588 H ALA 78 H ALA 78 -2.355 8.321 -3.043 589 HA ALA 78 HA ALA 78 -1.037 8.178 -5.611 590 1HB ALA 78 1HB ALA 78 -1.284 5.778 -5.406 591 2HB ALA 78 2HB ALA 78 -2.350 5.982 -4.015 592 3HB ALA 78 3HB ALA 78 -0.653 6.451 -3.903 593 H LYS 79 H LYS 79 -4.292 7.743 -4.308 594 HA LYS 79 HA LYS 79 -5.518 6.688 -6.585 595 1HB LYS 79 2HB LYS 79 -6.587 6.674 -4.404 596 2HB LYS 79 1HB LYS 79 -6.675 8.430 -4.407 597 1HG LYS 79 2HG LYS 79 -8.212 8.363 -6.293 598 2HG LYS 79 1HG LYS 79 -8.109 6.601 -6.325 599 1HD LYS 79 2HD LYS 79 -9.072 6.486 -4.094 600 2HD LYS 79 1HD LYS 79 -9.116 8.248 -4.005 601 1HE LYS 79 2HE LYS 79 -10.578 6.613 -6.071 602 2HE LYS 79 1HE LYS 79 -11.304 7.196 -4.574 603 1HZ LYS 79 1HZ LYS 79 -10.983 9.432 -5.267 604 2HZ LYS 79 2HZ LYS 79 -11.728 8.616 -6.548 605 3HZ LYS 79 3HZ LYS 79 -10.069 8.972 -6.614 606 H HIS 80 H HIS 80 -5.260 10.079 -5.532 607 HA HIS 80 HA HIS 80 -6.742 11.097 -7.732 608 1HB HIS 80 2HB HIS 80 -6.477 12.267 -5.547 609 2HB HIS 80 1HB HIS 80 -4.795 12.583 -5.955 610 HD1 HIS 80 HD1 HIS 80 -8.233 13.278 -7.475 611 HD2 HIS 80 HD2 HIS 80 -4.437 14.969 -7.184 612 HE1 HIS 80 HE1 HIS 80 -8.416 15.558 -8.515 613 HE2 HIS 80 HE2 HIS 80 -6.068 16.464 -8.528 614 H MET 81 H MET 81 -3.538 9.997 -7.435 615 HA MET 81 HA MET 81 -2.344 11.638 -9.442 616 1HB MET 81 2HB MET 81 -1.175 10.205 -7.633 617 2HB MET 81 1HB MET 81 -1.410 8.860 -8.741 618 1HG MET 81 2HG MET 81 -0.164 10.103 -10.466 619 2HG MET 81 1HG MET 81 0.126 11.387 -9.295 620 1HE MET 81 1HE MET 81 0.414 9.373 -6.681 621 2HE MET 81 2HE MET 81 1.402 10.821 -6.879 622 3HE MET 81 3HE MET 81 2.170 9.260 -6.573 623 H LEU 82 H LEU 82 -3.934 8.471 -9.429 624 HA LEU 82 HA LEU 82 -3.525 8.056 -12.244 625 1HB LEU 82 2HB LEU 82 -5.213 6.644 -10.189 626 2HB LEU 82 1HB LEU 82 -5.294 6.231 -11.889 627 HG LEU 82 HG LEU 82 -2.755 5.845 -11.726 628 1HD1 LEU 82 1HD1 LEU 82 -2.432 6.920 -9.561 629 2HD1 LEU 82 2HD1 LEU 82 -1.930 5.229 -9.527 630 3HD1 LEU 82 3HD1 LEU 82 -3.467 5.709 -8.804 631 1HD2 LEU 82 1HD2 LEU 82 -3.097 3.560 -10.939 632 2HD2 LEU 82 2HD2 LEU 82 -4.390 4.066 -12.027 633 3HD2 LEU 82 3HD2 LEU 82 -4.672 4.015 -10.287 634 H GLU 83 H GLU 83 -5.923 9.574 -10.255 635 HA GLU 83 HA GLU 83 -8.013 9.788 -12.130 636 1HB GLU 83 2HB GLU 83 -7.143 11.670 -9.927 637 2HB GLU 83 1HB GLU 83 -8.633 11.853 -10.842 638 1HG GLU 83 2HG GLU 83 -9.490 9.795 -9.982 639 2HG GLU 83 1HG GLU 83 -7.949 9.419 -9.214 640 H LYS 84 H LYS 84 -5.111 11.671 -11.559 641 HA LYS 84 HA LYS 84 -5.700 13.637 -13.575 642 1HB LYS 84 2HB LYS 84 -4.379 14.213 -11.589 643 2HB LYS 84 1HB LYS 84 -3.150 13.044 -12.055 644 1HG LYS 84 2HG LYS 84 -2.789 14.375 -14.136 645 2HG LYS 84 1HG LYS 84 -3.883 15.594 -13.475 646 1HD LYS 84 2HD LYS 84 -2.418 15.859 -11.537 647 2HD LYS 84 1HD LYS 84 -1.333 14.627 -12.182 648 1HE LYS 84 2HE LYS 84 -1.959 17.314 -13.403 649 2HE LYS 84 1HE LYS 84 -0.439 16.813 -12.661 650 1HZ LYS 84 1HZ LYS 84 -1.623 15.870 -15.207 651 2HZ LYS 84 2HZ LYS 84 -0.373 15.035 -14.428 652 3HZ LYS 84 3HZ LYS 84 -0.121 16.622 -14.960 653 H GLU 85 H GLU 85 -3.433 10.920 -13.238 654 HA GLU 85 HA GLU 85 -2.296 11.277 -15.833 655 1HB GLU 85 2HB GLU 85 -1.345 10.088 -13.695 656 2HB GLU 85 1HB GLU 85 -2.178 8.681 -14.342 657 1HG GLU 85 2HG GLU 85 0.083 8.592 -15.060 658 2HG GLU 85 1HG GLU 85 -0.911 8.992 -16.461 659 H ASP 86 H ASP 86 -3.758 11.147 -17.467 660 HA ASP 86 HA ASP 86 -5.953 9.358 -17.482 661 1HB ASP 86 2HB ASP 86 -6.389 10.154 -19.724 662 2HB ASP 86 1HB ASP 86 -5.935 11.512 -18.702 663 H SER 87 H SER 87 -2.666 8.987 -18.397 664 HA SER 87 HA SER 87 -2.939 6.853 -20.228 665 1HB SER 87 2HB SER 87 -0.671 7.471 -18.320 666 2HB SER 87 1HB SER 87 -0.579 6.363 -19.688 667 HG SER 87 HG SER 87 -1.069 9.166 -19.779 668 H TYR 88 H TYR 88 -3.282 7.020 -16.790 669 HA TYR 88 HA TYR 88 -3.151 4.094 -16.571 670 1HB TYR 88 2HB TYR 88 -3.223 6.223 -14.423 671 2HB TYR 88 1HB TYR 88 -3.224 4.493 -14.109 672 HD1 TYR 88 HD1 TYR 88 -1.202 6.857 -13.414 673 HD2 TYR 88 HD2 TYR 88 -1.211 3.653 -16.214 674 HE1 TYR 88 HE1 TYR 88 1.255 6.862 -13.420 675 HE2 TYR 88 HE2 TYR 88 1.251 3.653 -16.224 676 HH TYR 88 HH TYR 88 3.095 5.154 -15.730 677 H GLN 89 H GLN 89 -5.391 6.146 -17.495 678 HA GLN 89 HA GLN 89 -7.557 5.789 -15.714 679 1HB GLN 89 2HB GLN 89 -7.204 7.467 -17.682 680 2HB GLN 89 1HB GLN 89 -7.911 6.194 -18.665 681 1HG GLN 89 2HG GLN 89 -9.723 7.514 -18.154 682 2HG GLN 89 1HG GLN 89 -9.825 6.231 -16.952 683 1HE2 GLN 89 1HE2 GLN 89 -7.577 7.371 -15.401 684 2HE2 GLN 89 2HE2 GLN 89 -8.235 8.732 -14.573 685 H ASP 90 H ASP 90 -6.188 3.832 -18.204 686 HA ASP 90 HA ASP 90 -8.359 2.131 -18.758 687 1HB ASP 90 2HB ASP 90 -5.379 1.706 -18.950 688 2HB ASP 90 1HB ASP 90 -6.555 0.514 -19.491 689 H VAL 91 H VAL 91 -5.684 1.821 -16.439 690 HA VAL 91 HA VAL 91 -6.736 -0.701 -15.480 691 HB VAL 91 HB VAL 91 -4.797 -0.641 -13.896 692 1HG1 VAL 91 1HG1 VAL 91 -4.631 -1.807 -16.013 693 2HG1 VAL 91 2HG1 VAL 91 -3.098 -1.021 -15.638 694 3HG1 VAL 91 3HG1 VAL 91 -4.184 -0.309 -16.831 695 1HG2 VAL 91 1HG2 VAL 91 -3.029 1.022 -14.297 696 2HG2 VAL 91 2HG2 VAL 91 -4.516 1.768 -13.712 697 3HG2 VAL 91 3HG2 VAL 91 -4.092 1.869 -15.421 698 H TYR 92 H TYR 92 -6.923 2.626 -14.620 699 HA TYR 92 HA TYR 92 -7.701 2.177 -11.888 700 1HB TYR 92 2HB TYR 92 -6.642 4.293 -12.552 701 2HB TYR 92 1HB TYR 92 -7.980 4.633 -13.644 702 HD1 TYR 92 HD1 TYR 92 -9.738 5.947 -12.891 703 HD2 TYR 92 HD2 TYR 92 -7.287 3.957 -10.039 704 HE1 TYR 92 HE1 TYR 92 -10.935 7.092 -11.073 705 HE2 TYR 92 HE2 TYR 92 -8.475 5.094 -8.214 706 HH TYR 92 HH TYR 92 -11.392 6.787 -8.694 707 H LEU 93 H LEU 93 -9.754 2.147 -11.050 708 HA LEU 93 HA LEU 93 -11.924 1.780 -12.981 709 1HB LEU 93 2HB LEU 93 -11.761 1.004 -10.065 710 2HB LEU 93 1HB LEU 93 -13.128 0.694 -11.119 711 HG LEU 93 HG LEU 93 -10.364 -0.489 -11.403 712 1HD1 LEU 93 1HD1 LEU 93 -12.992 -1.734 -10.609 713 2HD1 LEU 93 2HD1 LEU 93 -11.633 -1.410 -9.535 714 3HD1 LEU 93 3HD1 LEU 93 -11.467 -2.590 -10.834 715 1HD2 LEU 93 1HD2 LEU 93 -12.858 -0.995 -13.022 716 2HD2 LEU 93 2HD2 LEU 93 -11.309 -1.817 -13.205 717 3HD2 LEU 93 3HD2 LEU 93 -11.445 -0.098 -13.576 718 H GLY 94 H GLY 94 -12.646 3.795 -13.381 719 1HA GLY 94 2HA GLY 94 -13.149 5.710 -11.290 720 2HA GLY 94 1HA GLY 94 -13.601 5.867 -12.982 721 H LEU 95 H LEU 95 -15.171 6.479 -10.608 722 HA LEU 95 HA LEU 95 -17.168 4.407 -10.375 723 1HB LEU 95 2HB LEU 95 -17.084 7.226 -9.294 724 2HB LEU 95 1HB LEU 95 -18.327 6.052 -8.915 725 HG LEU 95 HG LEU 95 -15.402 5.783 -8.216 726 1HD1 LEU 95 1HD1 LEU 95 -16.519 7.507 -6.902 727 2HD1 LEU 95 2HD1 LEU 95 -16.155 6.093 -5.911 728 3HD1 LEU 95 3HD1 LEU 95 -17.799 6.368 -6.486 729 1HD2 LEU 95 1HD2 LEU 95 -16.426 3.620 -8.626 730 2HD2 LEU 95 2HD2 LEU 95 -17.766 4.031 -7.557 731 3HD2 LEU 95 3HD2 LEU 95 -16.140 3.844 -6.900 732 H GLU 96 H GLU 96 -16.631 7.249 -12.246 733 HA GLU 96 HA GLU 96 -19.395 7.333 -13.159 734 1HB GLU 96 2HB GLU 96 -18.597 9.236 -14.587 735 2HB GLU 96 1HB GLU 96 -18.435 9.492 -12.858 736 1HG GLU 96 2HG GLU 96 -16.139 8.498 -14.505 737 2HG GLU 96 1HG GLU 96 -16.515 10.216 -14.387 738 H HIS 97 H HIS 97 -20.079 6.803 -15.190 739 HA HIS 97 HA HIS 97 -18.464 4.834 -16.538 740 1HB HIS 97 2HB HIS 97 -21.255 5.871 -16.956 741 2HB HIS 97 1HB HIS 97 -20.492 4.797 -18.123 742 HD1 HIS 97 HD1 HIS 97 -19.997 2.357 -17.349 743 HD2 HIS 97 HD2 HIS 97 -22.153 4.652 -14.625 744 HE1 HIS 97 HE1 HIS 97 -20.959 0.723 -15.692 745 HE2 HIS 97 HE2 HIS 97 -22.183 2.137 -14.000 746 H HIS 98 H HIS 98 -16.981 5.327 -17.959 747 HA HIS 98 HA HIS 98 -16.982 7.839 -19.387 748 1HB HIS 98 2HB HIS 98 -14.923 6.515 -18.568 749 2HB HIS 98 1HB HIS 98 -15.193 5.465 -19.952 750 HD1 HIS 98 HD1 HIS 98 -13.741 8.709 -18.964 751 HD2 HIS 98 HD2 HIS 98 -14.747 6.735 -22.489 752 HE1 HIS 98 HE1 HIS 98 -12.579 9.965 -20.802 753 HE2 HIS 98 HE2 HIS 98 -13.010 8.618 -22.887 754 H HIS 99 H HIS 99 -18.541 4.935 -19.761 755 HA HIS 99 HA HIS 99 -19.894 4.067 -21.359 756 1HB HIS 99 2HB HIS 99 -19.253 6.667 -22.740 757 2HB HIS 99 1HB HIS 99 -20.239 5.431 -23.511 758 HD1 HIS 99 HD1 HIS 99 -22.295 6.968 -23.526 759 HD2 HIS 99 HD2 HIS 99 -20.804 6.183 -19.724 760 HE1 HIS 99 HE1 HIS 99 -24.073 7.753 -21.924 761 HE2 HIS 99 HE2 HIS 99 -23.225 7.094 -19.640 762 H HIS 100 H HIS 100 -16.732 4.240 -21.486 763 HA HIS 100 HA HIS 100 -16.286 2.198 -23.350 764 1HB HIS 100 2HB HIS 100 -16.793 4.364 -24.789 765 2HB HIS 100 1HB HIS 100 -15.142 4.785 -24.355 766 HD1 HIS 100 HD1 HIS 100 -16.771 3.571 -27.106 767 HD2 HIS 100 HD2 HIS 100 -13.516 2.136 -24.954 768 HE1 HIS 100 HE1 HIS 100 -15.529 2.051 -28.686 769 HE2 HIS 100 HE2 HIS 100 -13.454 1.362 -27.422 770 H HIS 101 H HIS 101 -14.729 1.261 -22.130 771 HA HIS 101 HA HIS 101 -12.932 2.968 -20.604 772 1HB HIS 101 2HB HIS 101 -14.155 0.796 -19.771 773 2HB HIS 101 1HB HIS 101 -12.803 -0.029 -20.537 774 HD1 HIS 101 HD1 HIS 101 -13.387 0.013 -17.426 775 HD2 HIS 101 HD2 HIS 101 -10.630 2.414 -19.426 776 HE1 HIS 101 HE1 HIS 101 -11.693 0.699 -15.695 777 HE2 HIS 101 HE2 HIS 101 -10.000 2.089 -16.937 778 H HIS 102 HN HIS 102 -12.088 3.636 -22.817 779 HA HIS 102 HA HIS 102 -9.534 2.355 -23.173 780 1HB HIS 102 2HB HIS 102 -11.055 1.019 -24.664 781 2HB HIS 102 1HB HIS 102 -11.417 2.496 -25.549 782 HD1 HIS 102 HD1 HIS 102 -9.140 -0.326 -25.497 783 HD2 HIS 102 HD2 HIS 102 -9.008 3.606 -26.860 784 HE1 HIS 102 HE1 HIS 102 -7.225 -0.231 -27.125 785 HE2 HIS 102 HE2 HIS 102 -7.140 2.160 -27.918 Start of MODEL 18 1 1H MET 1 1H MET 1 23.717 1.065 2.413 2 2H MET 1 2H MET 1 22.400 0.611 1.449 3 3H MET 1 3H MET 1 22.430 2.148 2.170 4 HA MET 1 HA MET 1 24.369 2.740 0.845 5 1HB MET 1 2HB MET 1 25.112 0.332 0.630 6 2HB MET 1 1HB MET 1 23.858 0.121 -0.582 7 1HG MET 1 2HG MET 1 24.922 1.817 -1.979 8 2HG MET 1 1HG MET 1 26.185 2.021 -0.765 9 1HE MET 1 1HE MET 1 28.037 1.608 -2.606 10 2HE MET 1 2HE MET 1 26.804 1.377 -3.844 11 3HE MET 1 3HE MET 1 28.090 0.189 -3.651 12 H SER 2 H SER 2 21.264 2.522 0.935 13 HA SER 2 HA SER 2 19.482 3.273 -0.226 14 1HB SER 2 2HB SER 2 21.571 4.534 -2.018 15 2HB SER 2 1HB SER 2 19.852 4.935 -2.010 16 HG SER 2 HG SER 2 21.582 5.163 0.244 17 H ASN 3 H ASN 3 18.360 1.645 -1.055 18 HA ASN 3 HA ASN 3 19.360 0.018 -3.206 19 1HB ASN 3 2HB ASN 3 16.655 0.086 -1.850 20 2HB ASN 3 1HB ASN 3 17.120 -1.085 -3.078 21 1HD2 ASN 3 1HD2 ASN 3 17.576 -0.022 0.188 22 2HD2 ASN 3 2HD2 ASN 3 18.410 -1.436 0.749 23 H LEU 4 H LEU 4 19.407 0.787 -5.203 24 HA LEU 4 HA LEU 4 17.367 2.642 -6.141 25 1HB LEU 4 2HB LEU 4 19.743 1.427 -7.567 26 2HB LEU 4 1HB LEU 4 18.688 2.657 -8.234 27 HG LEU 4 HG LEU 4 20.489 2.994 -5.833 28 1HD1 LEU 4 1HD1 LEU 4 21.757 4.497 -7.283 29 2HD1 LEU 4 2HD1 LEU 4 20.696 4.093 -8.632 30 3HD1 LEU 4 3HD1 LEU 4 21.728 2.853 -7.920 31 1HD2 LEU 4 1HD2 LEU 4 19.859 5.355 -5.957 32 2HD2 LEU 4 2HD2 LEU 4 18.462 4.329 -5.633 33 3HD2 LEU 4 3HD2 LEU 4 18.719 4.984 -7.251 34 H GLU 5 H GLU 5 17.999 -0.674 -6.047 35 HA GLU 5 HA GLU 5 16.257 -1.351 -8.269 36 1HB GLU 5 2HB GLU 5 18.266 -2.714 -7.766 37 2HB GLU 5 1HB GLU 5 17.587 -3.114 -6.196 38 1HG GLU 5 2HG GLU 5 15.782 -4.325 -7.231 39 2HG GLU 5 1HG GLU 5 16.322 -3.828 -8.834 40 H ILE 6 H ILE 6 14.202 -2.150 -8.069 41 HA ILE 6 HA ILE 6 12.619 -1.290 -5.935 42 HB ILE 6 HB ILE 6 11.977 -3.463 -7.936 43 1HG1 ILE 6 2HG1 ILE 6 11.403 -0.489 -8.024 44 2HG1 ILE 6 1HG1 ILE 6 12.621 -1.316 -8.986 45 1HG2 ILE 6 1HG2 ILE 6 10.492 -3.468 -5.994 46 2HG2 ILE 6 2HG2 ILE 6 9.644 -2.941 -7.447 47 3HG2 ILE 6 3HG2 ILE 6 10.154 -1.755 -6.243 48 1HD1 ILE 6 1HD1 ILE 6 9.650 -1.771 -9.137 49 2HD1 ILE 6 2HD1 ILE 6 10.872 -2.597 -10.103 50 3HD1 ILE 6 3HD1 ILE 6 10.628 -0.860 -10.288 51 H LYS 7 H LYS 7 12.777 -2.001 -3.925 52 HA LYS 7 HA LYS 7 13.746 -4.638 -3.309 53 1HB LYS 7 2HB LYS 7 14.029 -2.322 -2.038 54 2HB LYS 7 1HB LYS 7 12.553 -2.844 -1.242 55 1HG LYS 7 2HG LYS 7 14.324 -3.536 0.134 56 2HG LYS 7 1HG LYS 7 13.751 -4.989 -0.687 57 1HD LYS 7 2HD LYS 7 15.592 -4.976 -2.186 58 2HD LYS 7 1HD LYS 7 16.069 -3.351 -1.689 59 1HE LYS 7 2HE LYS 7 16.523 -4.243 0.581 60 2HE LYS 7 1HE LYS 7 16.182 -5.861 -0.027 61 1HZ LYS 7 1HZ LYS 7 18.022 -5.703 -1.522 62 2HZ LYS 7 2HZ LYS 7 18.570 -5.307 0.035 63 3HZ LYS 7 3HZ LYS 7 18.296 -4.081 -1.105 64 H GLN 8 H GLN 8 12.471 -6.361 -3.290 65 HA GLN 8 HA GLN 8 9.587 -6.016 -3.182 66 1HB GLN 8 2HB GLN 8 11.273 -8.454 -3.752 67 2HB GLN 8 1HB GLN 8 9.518 -8.397 -3.848 68 1HG GLN 8 2HG GLN 8 9.621 -6.802 -5.644 69 2HG GLN 8 1HG GLN 8 11.373 -6.698 -5.491 70 1HE2 GLN 8 1HE2 GLN 8 12.641 -8.421 -6.199 71 2HE2 GLN 8 2HE2 GLN 8 12.029 -9.633 -7.271 72 H GLY 9 H GLY 9 8.464 -6.296 -1.404 73 1HA GLY 9 2HA GLY 9 9.549 -8.071 0.696 74 2HA GLY 9 1HA GLY 9 8.855 -6.503 1.085 75 H GLU 10 H GLU 10 7.511 -7.885 2.493 76 HA GLU 10 HA GLU 10 5.652 -9.749 1.549 77 1HB GLU 10 2HB GLU 10 4.947 -7.939 3.828 78 2HB GLU 10 1HB GLU 10 4.649 -9.657 3.647 79 1HG GLU 10 2HG GLU 10 6.256 -9.573 5.298 80 2HG GLU 10 1HG GLU 10 7.202 -9.910 3.850 81 H ASN 11 H ASN 11 4.585 -9.105 -0.276 82 HA ASN 11 HA ASN 11 2.957 -8.179 -1.553 83 1HB ASN 11 2HB ASN 11 1.806 -7.565 1.174 84 2HB ASN 11 1HB ASN 11 0.930 -7.318 -0.333 85 1HD2 ASN 11 1HD2 ASN 11 0.312 -9.084 1.909 86 2HD2 ASN 11 2HD2 ASN 11 0.232 -10.676 1.243 87 H LYS 12 H LYS 12 5.267 -6.472 -0.664 88 HA LYS 12 HA LYS 12 4.076 -3.920 -1.416 89 1HB LYS 12 2HB LYS 12 5.065 -2.690 0.369 90 2HB LYS 12 1HB LYS 12 4.193 -4.033 1.086 91 1HG LYS 12 2HG LYS 12 6.282 -5.242 1.411 92 2HG LYS 12 1HG LYS 12 7.173 -3.916 0.658 93 1HD LYS 12 2HD LYS 12 6.194 -2.417 2.447 94 2HD LYS 12 1HD LYS 12 5.635 -3.886 3.247 95 1HE LYS 12 2HE LYS 12 8.513 -3.335 2.540 96 2HE LYS 12 1HE LYS 12 7.801 -2.985 4.112 97 1HZ LYS 12 1HZ LYS 12 7.906 -5.688 2.884 98 2HZ LYS 12 2HZ LYS 12 7.370 -5.310 4.439 99 3HZ LYS 12 3HZ LYS 12 9.004 -5.116 4.038 100 H PHE 13 H PHE 13 5.375 -2.602 -2.580 101 HA PHE 13 HA PHE 13 8.156 -3.478 -3.029 102 1HB PHE 13 2HB PHE 13 6.341 -1.869 -4.849 103 2HB PHE 13 1HB PHE 13 8.030 -2.230 -5.177 104 HD1 PHE 13 HD1 PHE 13 4.881 -3.072 -6.111 105 HD2 PHE 13 HD2 PHE 13 8.470 -4.938 -4.793 106 HE1 PHE 13 HE1 PHE 13 4.208 -5.153 -7.238 107 HE2 PHE 13 HE2 PHE 13 7.802 -7.023 -5.916 108 HZ PHE 13 HZ PHE 13 5.670 -7.133 -7.141 109 H TYR 14 H TYR 14 9.731 -2.081 -2.401 110 HA TYR 14 HA TYR 14 8.976 0.691 -1.901 111 1HB TYR 14 2HB TYR 14 9.942 0.646 0.370 112 2HB TYR 14 1HB TYR 14 8.528 -0.386 0.222 113 HD1 TYR 14 HD1 TYR 14 11.979 -0.205 1.151 114 HD2 TYR 14 HD2 TYR 14 8.907 -2.898 -0.041 115 HE1 TYR 14 HE1 TYR 14 13.268 -2.079 2.084 116 HE2 TYR 14 HE2 TYR 14 10.190 -4.778 0.887 117 HH TYR 14 HH TYR 14 12.849 -4.358 2.930 118 H ILE 15 H ILE 15 10.719 2.124 -1.624 119 HA ILE 15 HA ILE 15 13.365 1.077 -2.373 120 HB ILE 15 HB ILE 15 11.976 3.515 -3.501 121 1HG1 ILE 15 2HG1 ILE 15 13.212 1.074 -4.796 122 2HG1 ILE 15 1HG1 ILE 15 11.490 1.395 -4.625 123 1HG2 ILE 15 1HG2 ILE 15 14.876 2.747 -3.828 124 2HG2 ILE 15 2HG2 ILE 15 14.274 4.112 -2.890 125 3HG2 ILE 15 3HG2 ILE 15 14.053 4.081 -4.639 126 1HD1 ILE 15 1HD1 ILE 15 12.243 1.855 -6.877 127 2HD1 ILE 15 2HD1 ILE 15 13.438 2.997 -6.264 128 3HD1 ILE 15 3HD1 ILE 15 11.716 3.340 -6.087 129 H GLY 16 H GLY 16 14.942 1.714 -1.036 130 1HA GLY 16 2HA GLY 16 15.155 4.203 0.230 131 2HA GLY 16 1HA GLY 16 14.368 3.096 1.349 132 H ASP 17 H ASP 17 16.426 3.687 2.555 133 HA ASP 17 HA ASP 17 18.817 2.357 1.580 134 1HB ASP 17 2HB ASP 17 18.870 4.590 2.738 135 2HB ASP 17 1HB ASP 17 18.408 3.767 4.223 136 H ASP 18 H ASP 18 16.301 1.902 3.939 137 HA ASP 18 HA ASP 18 16.877 -0.904 4.114 138 1HB ASP 18 2HB ASP 18 18.427 -0.108 5.836 139 2HB ASP 18 1HB ASP 18 17.142 0.819 6.599 140 H GLU 19 H GLU 19 15.122 -2.025 5.383 141 HA GLU 19 HA GLU 19 12.620 -0.927 4.601 142 1HB GLU 19 2HB GLU 19 13.119 -3.370 4.676 143 2HB GLU 19 1HB GLU 19 13.109 -3.282 6.433 144 1HG GLU 19 2HG GLU 19 10.781 -2.611 6.416 145 2HG GLU 19 1HG GLU 19 10.776 -2.601 4.655 146 H ASN 20 H ASN 20 14.498 -0.533 7.418 147 HA ASN 20 HA ASN 20 12.360 0.016 9.236 148 1HB ASN 20 2HB ASN 20 14.668 -0.614 9.959 149 2HB ASN 20 1HB ASN 20 15.237 0.951 9.390 150 1HD2 ASN 20 1HD2 ASN 20 14.909 2.748 10.637 151 2HD2 ASN 20 2HD2 ASN 20 14.186 2.700 12.212 152 H ASN 21 H ASN 21 13.681 1.701 6.618 153 HA ASN 21 HA ASN 21 12.035 3.981 7.091 154 1HB ASN 21 2HB ASN 21 14.006 4.558 8.508 155 2HB ASN 21 1HB ASN 21 15.024 4.454 7.075 156 1HD2 ASN 21 1HD2 ASN 21 15.644 6.592 7.220 157 2HD2 ASN 21 2HD2 ASN 21 14.577 7.897 6.828 158 H ALA 22 H ALA 22 11.328 2.953 5.122 159 HA ALA 22 HA ALA 22 12.973 3.235 2.768 160 1HB ALA 22 1HB ALA 22 10.031 2.584 2.990 161 2HB ALA 22 2HB ALA 22 11.343 1.405 2.940 162 3HB ALA 22 3HB ALA 22 11.027 2.432 1.541 163 H LEU 23 H LEU 23 12.566 4.670 1.038 164 HA LEU 23 HA LEU 23 11.656 7.271 1.908 165 1HB LEU 23 2HB LEU 23 12.667 6.351 -0.790 166 2HB LEU 23 1HB LEU 23 12.405 8.019 -0.314 167 HG LEU 23 HG LEU 23 14.433 6.148 0.919 168 1HD1 LEU 23 1HD1 LEU 23 16.088 7.563 -0.196 169 2HD1 LEU 23 2HD1 LEU 23 14.790 8.462 -0.980 170 3HD1 LEU 23 3HD1 LEU 23 15.032 6.755 -1.354 171 1HD2 LEU 23 1HD2 LEU 23 15.271 8.163 2.037 172 2HD2 LEU 23 2HD2 LEU 23 13.617 7.789 2.518 173 3HD2 LEU 23 3HD2 LEU 23 13.926 9.089 1.368 174 H ALA 24 H ALA 24 10.478 4.593 0.098 175 HA ALA 24 HA ALA 24 7.828 5.670 0.061 176 1HB ALA 24 1HB ALA 24 8.708 6.773 -1.938 177 2HB ALA 24 2HB ALA 24 7.485 5.575 -2.360 178 3HB ALA 24 3HB ALA 24 9.195 5.209 -2.593 179 H GLU 25 H GLU 25 6.523 4.008 0.442 180 HA GLU 25 HA GLU 25 7.212 1.382 -0.694 181 1HB GLU 25 2HB GLU 25 6.298 0.305 1.326 182 2HB GLU 25 1HB GLU 25 7.691 1.310 1.698 183 1HG GLU 25 2HG GLU 25 6.255 3.046 2.562 184 2HG GLU 25 1HG GLU 25 4.823 2.137 2.090 185 H ILE 26 H ILE 26 5.654 0.549 -1.929 186 HA ILE 26 HA ILE 26 2.920 1.575 -1.542 187 HB ILE 26 HB ILE 26 3.792 2.219 -3.724 188 1HG1 ILE 26 2HG1 ILE 26 1.751 0.006 -3.993 189 2HG1 ILE 26 1HG1 ILE 26 1.393 1.651 -3.476 190 1HG2 ILE 26 1HG2 ILE 26 4.174 -0.727 -4.234 191 2HG2 ILE 26 2HG2 ILE 26 5.448 0.477 -4.052 192 3HG2 ILE 26 3HG2 ILE 26 4.355 0.554 -5.433 193 1HD1 ILE 26 1HD1 ILE 26 0.819 1.343 -5.803 194 2HD1 ILE 26 2HD1 ILE 26 2.466 0.823 -6.164 195 3HD1 ILE 26 3HD1 ILE 26 2.157 2.483 -5.653 196 H THR 27 H THR 27 1.439 0.173 -0.890 197 HA THR 27 HA THR 27 2.143 -2.677 -0.973 198 HB THR 27 HB THR 27 0.550 -2.949 0.913 199 HG1 THR 27 HG1 THR 27 -0.655 -1.324 1.517 200 1HG2 THR 27 1HG2 THR 27 2.925 -2.705 1.379 201 2HG2 THR 27 2HG2 THR 27 1.977 -1.901 2.630 202 3HG2 THR 27 3HG2 THR 27 2.768 -0.949 1.374 203 H TYR 28 H TYR 28 0.768 -4.131 -1.857 204 HA TYR 28 HA TYR 28 -1.857 -3.183 -2.749 205 1HB TYR 28 2HB TYR 28 -1.567 -4.026 -4.977 206 2HB TYR 28 1HB TYR 28 -0.199 -2.974 -4.633 207 HD1 TYR 28 HD1 TYR 28 -1.238 -6.260 -5.620 208 HD2 TYR 28 HD2 TYR 28 2.016 -4.054 -3.997 209 HE1 TYR 28 HE1 TYR 28 0.295 -8.076 -6.243 210 HE2 TYR 28 HE2 TYR 28 3.560 -5.864 -4.617 211 HH TYR 28 HH TYR 28 3.487 -8.273 -5.087 212 H ARG 29 H ARG 29 -3.416 -4.802 -2.918 213 HA ARG 29 HA ARG 29 -2.675 -7.551 -2.428 214 1HB ARG 29 2HB ARG 29 -4.263 -7.680 -0.446 215 2HB ARG 29 1HB ARG 29 -2.711 -6.906 -0.161 216 1HG ARG 29 2HG ARG 29 -3.709 -4.731 -0.251 217 2HG ARG 29 1HG ARG 29 -5.261 -5.414 -0.740 218 1HD ARG 29 2HD ARG 29 -3.863 -5.921 1.884 219 2HD ARG 29 1HD ARG 29 -5.222 -4.825 1.641 220 HE ARG 29 HE ARG 29 -5.330 -7.763 1.362 221 1HH1 ARG 29 2HH1 ARG 29 -6.863 -4.673 1.988 222 2HH1 ARG 29 1HH1 ARG 29 -8.420 -5.368 2.301 223 1HH2 ARG 29 1HH2 ARG 29 -7.378 -8.682 1.764 224 2HH2 ARG 29 2HH2 ARG 29 -8.720 -7.652 2.184 225 H PHE 30 H PHE 30 -4.330 -9.023 -2.851 226 HA PHE 30 HA PHE 30 -6.376 -8.042 -4.643 227 1HB PHE 30 2HB PHE 30 -5.780 -10.862 -3.698 228 2HB PHE 30 1HB PHE 30 -6.873 -10.430 -5.005 229 HD1 PHE 30 HD1 PHE 30 -3.338 -10.525 -3.962 230 HD2 PHE 30 HD2 PHE 30 -6.064 -9.985 -7.185 231 HE1 PHE 30 HE1 PHE 30 -1.475 -10.683 -5.560 232 HE2 PHE 30 HE2 PHE 30 -4.204 -10.140 -8.786 233 HZ PHE 30 HZ PHE 30 -1.905 -10.486 -7.975 234 H VAL 31 H VAL 31 -8.364 -7.474 -3.968 235 HA VAL 31 HA VAL 31 -9.146 -8.150 -1.260 236 HB VAL 31 HB VAL 31 -11.189 -6.745 -1.765 237 1HG1 VAL 31 1HG1 VAL 31 -9.254 -5.905 -0.539 238 2HG1 VAL 31 2HG1 VAL 31 -9.973 -4.648 -1.546 239 3HG1 VAL 31 3HG1 VAL 31 -8.487 -5.446 -2.058 240 1HG2 VAL 31 1HG2 VAL 31 -11.049 -5.231 -3.682 241 2HG2 VAL 31 2HG2 VAL 31 -11.162 -6.916 -4.193 242 3HG2 VAL 31 3HG2 VAL 31 -9.609 -6.080 -4.245 243 H ASP 32 H ASP 32 -10.304 -8.834 -4.552 244 HA ASP 32 HA ASP 32 -11.718 -11.131 -3.457 245 1HB ASP 32 2HB ASP 32 -13.087 -9.032 -5.146 246 2HB ASP 32 1HB ASP 32 -13.757 -10.626 -4.820 247 H ASN 33 H ASN 33 -11.972 -9.612 -6.678 248 HA ASN 33 HA ASN 33 -11.159 -12.236 -7.741 249 1HB ASN 33 2HB ASN 33 -13.485 -11.262 -8.202 250 2HB ASN 33 1HB ASN 33 -12.673 -10.123 -9.265 251 1HD2 ASN 33 1HD2 ASN 33 -10.667 -12.231 -10.017 252 2HD2 ASN 33 2HD2 ASN 33 -11.506 -13.253 -11.132 253 H ASN 34 H ASN 34 -11.242 -9.047 -9.335 254 HA ASN 34 HA ASN 34 -8.429 -9.513 -10.137 255 1HB ASN 34 2HB ASN 34 -10.558 -7.969 -11.643 256 2HB ASN 34 1HB ASN 34 -8.901 -8.227 -12.174 257 1HD2 ASN 34 1HD2 ASN 34 -12.067 -9.545 -11.919 258 2HD2 ASN 34 2HD2 ASN 34 -11.756 -11.006 -12.793 259 H GLU 35 H GLU 35 -10.116 -7.920 -8.014 260 HA GLU 35 HA GLU 35 -9.247 -5.209 -8.576 261 1HB GLU 35 2HB GLU 35 -10.778 -6.165 -6.155 262 2HB GLU 35 1HB GLU 35 -10.665 -4.527 -6.776 263 1HG GLU 35 2HG GLU 35 -12.805 -5.252 -7.355 264 2HG GLU 35 1HG GLU 35 -11.868 -5.379 -8.842 265 H ILE 36 H ILE 36 -7.307 -4.576 -7.950 266 HA ILE 36 HA ILE 36 -6.248 -5.624 -5.406 267 HB ILE 36 HB ILE 36 -4.010 -4.823 -6.219 268 1HG1 ILE 36 2HG1 ILE 36 -5.430 -4.645 -8.887 269 2HG1 ILE 36 1HG1 ILE 36 -4.830 -3.273 -7.961 270 1HG2 ILE 36 1HG2 ILE 36 -4.604 -7.170 -6.255 271 2HG2 ILE 36 2HG2 ILE 36 -3.623 -6.764 -7.662 272 3HG2 ILE 36 3HG2 ILE 36 -5.365 -6.975 -7.835 273 1HD1 ILE 36 1HD1 ILE 36 -3.326 -3.846 -9.777 274 2HD1 ILE 36 2HD1 ILE 36 -3.148 -5.477 -9.134 275 3HD1 ILE 36 3HD1 ILE 36 -2.550 -4.097 -8.214 276 H ASN 37 H ASN 37 -6.142 -4.234 -3.759 277 HA ASN 37 HA ASN 37 -6.567 -1.403 -4.400 278 1HB ASN 37 2HB ASN 37 -7.554 -1.098 -2.289 279 2HB ASN 37 1HB ASN 37 -8.160 -2.656 -2.828 280 1HD2 ASN 37 1HD2 ASN 37 -6.387 -0.964 -0.451 281 2HD2 ASN 37 2HD2 ASN 37 -6.021 -2.320 0.563 282 H ILE 38 H ILE 38 -5.096 0.096 -3.966 283 HA ILE 38 HA ILE 38 -2.560 -0.694 -2.828 284 HB ILE 38 HB ILE 38 -3.528 2.035 -3.715 285 1HG1 ILE 38 2HG1 ILE 38 -1.650 0.084 -5.065 286 2HG1 ILE 38 1HG1 ILE 38 -3.333 0.335 -5.520 287 1HG2 ILE 38 1HG2 ILE 38 -0.764 1.098 -2.934 288 2HG2 ILE 38 2HG2 ILE 38 -1.775 2.233 -2.040 289 3HG2 ILE 38 3HG2 ILE 38 -1.147 2.673 -3.628 290 1HD1 ILE 38 1HD1 ILE 38 -1.848 1.517 -7.017 291 2HD1 ILE 38 2HD1 ILE 38 -1.128 2.377 -5.658 292 3HD1 ILE 38 3HD1 ILE 38 -2.814 2.663 -6.086 293 H ASP 39 H ASP 39 -2.771 -1.151 -0.736 294 HA ASP 39 HA ASP 39 -4.624 -0.127 1.050 295 1HB ASP 39 2HB ASP 39 -3.462 -2.170 1.545 296 2HB ASP 39 1HB ASP 39 -1.906 -1.345 1.555 297 H HIS 40 H HIS 40 -1.161 0.716 0.923 298 HA HIS 40 HA HIS 40 -1.856 3.476 1.420 299 1HB HIS 40 2HB HIS 40 -0.483 3.777 3.376 300 2HB HIS 40 1HB HIS 40 -1.626 2.486 3.707 301 HD1 HIS 40 HD1 HIS 40 -0.675 0.122 4.100 302 HD2 HIS 40 HD2 HIS 40 2.221 3.002 3.273 303 HE1 HIS 40 HE1 HIS 40 1.534 -0.926 4.716 304 HE2 HIS 40 HE2 HIS 40 3.284 0.791 4.108 305 H THR 41 H THR 41 -0.300 4.907 0.707 306 HA THR 41 HA THR 41 2.037 3.681 -0.594 307 HB THR 41 HB THR 41 0.935 6.394 -1.315 308 HG1 THR 41 HG1 THR 41 0.108 3.832 -2.252 309 1HG2 THR 41 1HG2 THR 41 2.476 4.337 -2.906 310 2HG2 THR 41 2HG2 THR 41 3.186 5.739 -2.112 311 3HG2 THR 41 3HG2 THR 41 2.044 5.965 -3.435 312 H GLY 42 H GLY 42 3.314 3.759 1.252 313 1HA GLY 42 2HA GLY 42 3.507 6.139 2.863 314 2HA GLY 42 1HA GLY 42 4.443 4.663 3.056 315 H VAL 43 H VAL 43 4.176 7.659 1.266 316 HA VAL 43 HA VAL 43 6.962 7.339 0.388 317 HB VAL 43 HB VAL 43 4.823 9.170 -0.715 318 1HG1 VAL 43 1HG1 VAL 43 7.631 8.640 -1.670 319 2HG1 VAL 43 2HG1 VAL 43 7.030 10.141 -0.962 320 3HG1 VAL 43 3HG1 VAL 43 6.425 9.597 -2.528 321 1HG2 VAL 43 1HG2 VAL 43 4.405 6.814 -1.220 322 2HG2 VAL 43 2HG2 VAL 43 6.028 6.669 -1.895 323 3HG2 VAL 43 3HG2 VAL 43 4.840 7.719 -2.669 324 H SER 44 H SER 44 8.476 8.646 1.175 325 HA SER 44 HA SER 44 7.704 10.867 2.889 326 1HB SER 44 2HB SER 44 9.516 9.427 3.658 327 2HB SER 44 1HB SER 44 10.426 9.747 2.185 328 HG SER 44 HG SER 44 10.811 11.020 4.277 329 H ASP 45 H ASP 45 7.977 12.956 2.382 330 HA ASP 45 HA ASP 45 8.394 13.474 -0.475 331 1HB ASP 45 2HB ASP 45 7.048 15.412 -0.245 332 2HB ASP 45 1HB ASP 45 6.234 14.150 0.666 333 H GLU 46 H GLU 46 10.338 13.285 1.929 334 HA GLU 46 HA GLU 46 11.731 15.712 2.132 335 1HB GLU 46 2HB GLU 46 12.753 12.867 2.248 336 2HB GLU 46 1HB GLU 46 13.681 14.279 2.732 337 1HG GLU 46 2HG GLU 46 11.061 13.495 3.969 338 2HG GLU 46 1HG GLU 46 12.635 13.015 4.601 339 H LEU 47 H LEU 47 11.882 13.110 -0.213 340 HA LEU 47 HA LEU 47 13.050 14.780 -2.209 341 1HB LEU 47 2HB LEU 47 15.034 14.170 -0.803 342 2HB LEU 47 1HB LEU 47 14.733 12.487 -1.185 343 HG LEU 47 HG LEU 47 15.155 14.425 -3.429 344 1HD1 LEU 47 1HD1 LEU 47 17.572 14.025 -3.299 345 2HD1 LEU 47 2HD1 LEU 47 17.344 13.176 -1.771 346 3HD1 LEU 47 3HD1 LEU 47 16.981 14.899 -1.885 347 1HD2 LEU 47 1HD2 LEU 47 14.506 12.129 -3.950 348 2HD2 LEU 47 2HD2 LEU 47 15.862 11.519 -3.002 349 3HD2 LEU 47 3HD2 LEU 47 16.162 12.441 -4.476 350 H GLY 48 H GLY 48 12.185 11.571 -1.074 351 1HA GLY 48 2HA GLY 48 11.996 10.348 -3.626 352 2HA GLY 48 1HA GLY 48 11.264 9.761 -2.140 353 H GLY 49 H GLY 49 9.748 9.289 -4.178 354 1HA GLY 49 2HA GLY 49 7.432 9.586 -4.512 355 2HA GLY 49 1HA GLY 49 7.579 11.225 -3.889 356 H GLN 50 H GLN 50 9.562 12.263 -5.418 357 HA GLN 50 HA GLN 50 8.290 13.228 -7.643 358 1HB GLN 50 2HB GLN 50 11.266 12.880 -7.245 359 2HB GLN 50 1HB GLN 50 10.526 13.924 -8.450 360 1HG GLN 50 2HG GLN 50 9.527 15.276 -6.702 361 2HG GLN 50 1HG GLN 50 10.198 14.206 -5.472 362 1HE2 GLN 50 1HE2 GLN 50 12.395 14.265 -5.033 363 2HE2 GLN 50 2HE2 GLN 50 13.403 15.570 -5.564 364 H GLY 51 H GLY 51 11.002 10.910 -7.875 365 1HA GLY 51 2HA GLY 51 9.765 9.902 -10.355 366 2HA GLY 51 1HA GLY 51 11.469 9.760 -9.944 367 H VAL 52 H VAL 52 10.862 9.004 -7.178 368 HA VAL 52 HA VAL 52 10.850 6.204 -7.486 369 HB VAL 52 HB VAL 52 10.316 7.783 -4.960 370 1HG1 VAL 52 1HG1 VAL 52 11.306 4.956 -5.332 371 2HG1 VAL 52 2HG1 VAL 52 9.703 5.421 -4.768 372 3HG1 VAL 52 3HG1 VAL 52 11.125 5.794 -3.791 373 1HG2 VAL 52 1HG2 VAL 52 12.722 7.530 -4.533 374 2HG2 VAL 52 2HG2 VAL 52 12.411 8.462 -5.998 375 3HG2 VAL 52 3HG2 VAL 52 12.916 6.776 -6.116 376 H GLY 53 H GLY 53 8.301 8.504 -6.700 377 1HA GLY 53 2HA GLY 53 6.398 6.683 -5.704 378 2HA GLY 53 1HA GLY 53 6.044 8.264 -6.384 379 H LYS 54 H LYS 54 6.678 8.102 -8.961 380 HA LYS 54 HA LYS 54 4.585 6.479 -9.993 381 1HB LYS 54 2HB LYS 54 6.677 8.139 -11.396 382 2HB LYS 54 1HB LYS 54 5.382 7.290 -12.229 383 1HG LYS 54 2HG LYS 54 3.777 8.600 -10.768 384 2HG LYS 54 1HG LYS 54 5.167 9.591 -10.316 385 1HD LYS 54 2HD LYS 54 5.542 10.154 -12.660 386 2HD LYS 54 1HD LYS 54 4.181 9.131 -13.132 387 1HE LYS 54 2HE LYS 54 2.708 10.569 -11.722 388 2HE LYS 54 1HE LYS 54 4.084 11.641 -11.469 389 1HZ LYS 54 1HZ LYS 54 4.196 11.832 -13.958 390 2HZ LYS 54 2HZ LYS 54 2.843 12.541 -13.231 391 3HZ LYS 54 3HZ LYS 54 2.687 11.048 -14.019 392 H LYS 55 H LYS 55 7.981 6.005 -9.567 393 HA LYS 55 HA LYS 55 8.385 4.015 -11.530 394 1HB LYS 55 2HB LYS 55 10.211 5.188 -10.291 395 2HB LYS 55 1HB LYS 55 9.786 4.254 -8.862 396 1HG LYS 55 2HG LYS 55 10.234 2.183 -10.182 397 2HG LYS 55 1HG LYS 55 10.852 3.214 -11.472 398 1HD LYS 55 2HD LYS 55 12.490 4.159 -9.852 399 2HD LYS 55 1HD LYS 55 11.926 2.979 -8.665 400 1HE LYS 55 2HE LYS 55 13.919 2.132 -9.700 401 2HE LYS 55 1HE LYS 55 12.549 1.169 -10.250 402 1HZ LYS 55 1HZ LYS 55 12.532 2.398 -12.317 403 2HZ LYS 55 2HZ LYS 55 14.075 1.742 -12.056 404 3HZ LYS 55 3HZ LYS 55 13.795 3.392 -11.777 405 H LEU 56 H LEU 56 7.672 3.776 -8.060 406 HA LEU 56 HA LEU 56 7.376 0.962 -8.042 407 1HB LEU 56 2HB LEU 56 6.291 3.059 -6.164 408 2HB LEU 56 1HB LEU 56 6.252 1.334 -5.857 409 HG LEU 56 HG LEU 56 8.759 2.985 -6.175 410 1HD1 LEU 56 1HD1 LEU 56 9.053 2.654 -3.794 411 2HD1 LEU 56 2HD1 LEU 56 7.536 1.756 -3.711 412 3HD1 LEU 56 3HD1 LEU 56 7.524 3.475 -4.110 413 1HD2 LEU 56 1HD2 LEU 56 9.920 0.976 -5.450 414 2HD2 LEU 56 2HD2 LEU 56 9.013 0.665 -6.931 415 3HD2 LEU 56 3HD2 LEU 56 8.392 0.100 -5.379 416 H LEU 57 H LEU 57 5.129 3.642 -8.450 417 HA LEU 57 HA LEU 57 2.745 2.152 -8.480 418 1HB LEU 57 2HB LEU 57 2.822 4.599 -8.278 419 2HB LEU 57 1HB LEU 57 3.420 4.719 -9.921 420 HG LEU 57 HG LEU 57 1.283 3.723 -10.723 421 1HD1 LEU 57 1HD1 LEU 57 0.434 4.075 -7.852 422 2HD1 LEU 57 2HD1 LEU 57 0.666 2.536 -8.677 423 3HD1 LEU 57 3HD1 LEU 57 -0.618 3.628 -9.195 424 1HD2 LEU 57 1HD2 LEU 57 -0.051 5.736 -10.384 425 2HD2 LEU 57 2HD2 LEU 57 1.635 6.142 -10.714 426 3HD2 LEU 57 3HD2 LEU 57 1.013 6.226 -9.065 427 H LYS 58 H LYS 58 5.012 3.040 -11.043 428 HA LYS 58 HA LYS 58 3.551 2.197 -13.257 429 1HB LYS 58 2HB LYS 58 5.695 3.520 -13.268 430 2HB LYS 58 1HB LYS 58 6.550 2.018 -12.949 431 1HG LYS 58 2HG LYS 58 5.777 1.098 -15.054 432 2HG LYS 58 1HG LYS 58 4.843 2.563 -15.369 433 1HD LYS 58 2HD LYS 58 6.866 2.741 -16.613 434 2HD LYS 58 1HD LYS 58 6.996 3.850 -15.247 435 1HE LYS 58 2HE LYS 58 9.086 2.748 -15.406 436 2HE LYS 58 1HE LYS 58 8.248 2.017 -14.039 437 1HZ LYS 58 1HZ LYS 58 9.272 0.326 -15.395 438 2HZ LYS 58 2HZ LYS 58 8.462 0.880 -16.775 439 3HZ LYS 58 3HZ LYS 58 7.587 0.182 -15.501 440 H ALA 59 H ALA 59 5.860 0.376 -11.251 441 HA ALA 59 HA ALA 59 5.778 -2.015 -12.722 442 1HB ALA 59 1HB ALA 59 6.709 -3.070 -10.733 443 2HB ALA 59 2HB ALA 59 6.278 -1.658 -9.767 444 3HB ALA 59 3HB ALA 59 7.490 -1.520 -11.041 445 H VAL 60 H VAL 60 3.738 -0.819 -10.097 446 HA VAL 60 HA VAL 60 2.248 -3.218 -9.776 447 HB VAL 60 HB VAL 60 1.494 -0.372 -9.079 448 1HG1 VAL 60 1HG1 VAL 60 0.234 -2.968 -8.194 449 2HG1 VAL 60 2HG1 VAL 60 -0.487 -1.791 -9.291 450 3HG1 VAL 60 3HG1 VAL 60 -0.190 -1.360 -7.606 451 1HG2 VAL 60 1HG2 VAL 60 2.132 -0.999 -6.808 452 2HG2 VAL 60 2HG2 VAL 60 3.490 -1.180 -7.919 453 3HG2 VAL 60 3HG2 VAL 60 2.600 -2.603 -7.373 454 H VAL 61 H VAL 61 1.707 -0.246 -11.645 455 HA VAL 61 HA VAL 61 -0.786 -0.978 -12.739 456 HB VAL 61 HB VAL 61 1.341 0.836 -13.903 457 1HG1 VAL 61 1HG1 VAL 61 -1.587 0.603 -14.608 458 2HG1 VAL 61 2HG1 VAL 61 -0.237 0.088 -15.619 459 3HG1 VAL 61 3HG1 VAL 61 -0.462 1.799 -15.252 460 1HG2 VAL 61 1HG2 VAL 61 -1.109 1.461 -12.257 461 2HG2 VAL 61 2HG2 VAL 61 -0.020 2.648 -12.974 462 3HG2 VAL 61 3HG2 VAL 61 0.565 1.565 -11.714 463 H GLU 62 H GLU 62 2.529 -1.496 -13.848 464 HA GLU 62 HA GLU 62 1.938 -2.727 -16.299 465 1HB GLU 62 2HB GLU 62 4.281 -2.987 -14.423 466 2HB GLU 62 1HB GLU 62 4.217 -3.823 -15.963 467 1HG GLU 62 2HG GLU 62 4.029 -1.677 -17.118 468 2HG GLU 62 1HG GLU 62 4.109 -0.843 -15.567 469 H HIS 63 H HIS 63 2.398 -4.080 -13.063 470 HA HIS 63 HA HIS 63 2.066 -6.789 -13.803 471 1HB HIS 63 2HB HIS 63 3.070 -5.897 -11.655 472 2HB HIS 63 1HB HIS 63 1.431 -5.568 -11.110 473 HD1 HIS 63 HD1 HIS 63 3.349 -8.592 -12.437 474 HD2 HIS 63 HD2 HIS 63 0.457 -7.591 -9.617 475 HE1 HIS 63 HE1 HIS 63 2.863 -10.713 -11.178 476 HE2 HIS 63 HE2 HIS 63 1.333 -10.005 -9.310 477 H ALA 64 H ALA 64 -0.187 -4.273 -12.789 478 HA ALA 64 HA ALA 64 -2.488 -5.923 -12.642 479 1HB ALA 64 1HB ALA 64 -2.418 -3.736 -11.582 480 2HB ALA 64 2HB ALA 64 -3.752 -3.825 -12.730 481 3HB ALA 64 3HB ALA 64 -2.277 -2.961 -13.159 482 H ARG 65 H ARG 65 -1.150 -3.882 -15.223 483 HA ARG 65 HA ARG 65 -3.101 -4.397 -17.169 484 1HB ARG 65 2HB ARG 65 -1.526 -2.636 -17.555 485 2HB ARG 65 1HB ARG 65 -0.162 -3.734 -17.395 486 1HG ARG 65 2HG ARG 65 -0.969 -4.903 -19.451 487 2HG ARG 65 1HG ARG 65 -2.158 -3.616 -19.641 488 1HD ARG 65 2HD ARG 65 -0.110 -3.291 -21.005 489 2HD ARG 65 1HD ARG 65 -0.431 -1.970 -19.885 490 HE ARG 65 HE ARG 65 1.574 -2.392 -18.907 491 1HH1 ARG 65 2HH1 ARG 65 0.612 -5.306 -20.622 492 2HH1 ARG 65 1HH1 ARG 65 2.092 -6.150 -20.263 493 1HH2 ARG 65 1HH2 ARG 65 3.513 -3.505 -18.451 494 2HH2 ARG 65 2HH2 ARG 65 3.737 -5.132 -19.018 495 H GLU 66 H GLU 66 -0.123 -6.087 -16.346 496 HA GLU 66 HA GLU 66 -0.090 -7.884 -18.497 497 1HB GLU 66 2HB GLU 66 1.792 -7.272 -16.923 498 2HB GLU 66 1HB GLU 66 1.058 -8.354 -15.749 499 1HG GLU 66 2HG GLU 66 1.379 -10.230 -17.227 500 2HG GLU 66 1HG GLU 66 2.025 -9.162 -18.478 501 H ASN 67 H ASN 67 -1.378 -8.250 -15.194 502 HA ASN 67 HA ASN 67 -2.303 -10.942 -15.839 503 1HB ASN 67 2HB ASN 67 -2.351 -9.381 -13.251 504 2HB ASN 67 1HB ASN 67 -2.960 -11.023 -13.428 505 1HD2 ASN 67 1HD2 ASN 67 -0.835 -11.749 -15.317 506 2HD2 ASN 67 2HD2 ASN 67 0.596 -11.939 -14.369 507 H ASN 68 H ASN 68 -3.466 -8.017 -16.439 508 HA ASN 68 HA ASN 68 -5.484 -7.081 -16.845 509 1HB ASN 68 2HB ASN 68 -5.770 -9.130 -18.217 510 2HB ASN 68 1HB ASN 68 -6.497 -9.935 -16.829 511 1HD2 ASN 68 1HD2 ASN 68 -8.597 -9.600 -16.375 512 2HD2 ASN 68 2HD2 ASN 68 -9.642 -8.561 -17.290 513 H LEU 69 H LEU 69 -5.155 -6.297 -14.641 514 HA LEU 69 HA LEU 69 -7.283 -7.235 -12.830 515 1HB LEU 69 2HB LEU 69 -4.637 -5.977 -12.081 516 2HB LEU 69 1HB LEU 69 -5.880 -6.505 -10.960 517 HG LEU 69 HG LEU 69 -4.352 -8.345 -12.803 518 1HD1 LEU 69 1HD1 LEU 69 -2.883 -7.346 -11.136 519 2HD1 LEU 69 2HD1 LEU 69 -3.153 -9.058 -10.807 520 3HD1 LEU 69 3HD1 LEU 69 -3.993 -7.834 -9.856 521 1HD2 LEU 69 1HD2 LEU 69 -6.231 -8.899 -10.512 522 2HD2 LEU 69 2HD2 LEU 69 -5.290 -10.112 -11.381 523 3HD2 LEU 69 3HD2 LEU 69 -6.544 -9.200 -12.222 524 H LYS 70 H LYS 70 -7.813 -5.399 -11.198 525 HA LYS 70 HA LYS 70 -7.787 -2.806 -12.592 526 1HB LYS 70 2HB LYS 70 -10.031 -3.927 -10.901 527 2HB LYS 70 1HB LYS 70 -9.994 -2.324 -11.622 528 1HG LYS 70 2HG LYS 70 -9.903 -3.387 -13.858 529 2HG LYS 70 1HG LYS 70 -10.096 -4.956 -13.075 530 1HD LYS 70 2HD LYS 70 -12.215 -4.078 -12.055 531 2HD LYS 70 1HD LYS 70 -12.040 -2.652 -13.081 532 1HE LYS 70 2HE LYS 70 -13.552 -4.262 -14.101 533 2HE LYS 70 1HE LYS 70 -12.087 -4.087 -15.068 534 1HZ LYS 70 1HZ LYS 70 -11.261 -6.137 -14.258 535 2HZ LYS 70 2HZ LYS 70 -12.870 -6.426 -14.712 536 3HZ LYS 70 3HZ LYS 70 -12.467 -6.248 -13.075 537 H ILE 71 H ILE 71 -7.050 -1.145 -11.454 538 HA ILE 71 HA ILE 71 -6.120 -1.702 -8.742 539 HB ILE 71 HB ILE 71 -5.456 0.637 -10.538 540 1HG1 ILE 71 2HG1 ILE 71 -3.849 -1.861 -9.949 541 2HG1 ILE 71 1HG1 ILE 71 -4.687 -1.528 -11.461 542 1HG2 ILE 71 1HG2 ILE 71 -5.150 1.154 -8.188 543 2HG2 ILE 71 2HG2 ILE 71 -3.583 0.990 -8.979 544 3HG2 ILE 71 3HG2 ILE 71 -4.199 -0.315 -7.965 545 1HD1 ILE 71 1HD1 ILE 71 -2.400 0.066 -10.317 546 2HD1 ILE 71 2HD1 ILE 71 -3.238 0.403 -11.833 547 3HD1 ILE 71 3HD1 ILE 71 -2.310 -1.085 -11.652 548 H ILE 72 H ILE 72 -7.111 -0.903 -7.025 549 HA ILE 72 HA ILE 72 -8.621 1.609 -7.326 550 HB ILE 72 HB ILE 72 -9.906 0.859 -5.267 551 1HG1 ILE 72 2HG1 ILE 72 -8.804 -1.841 -6.076 552 2HG1 ILE 72 1HG1 ILE 72 -8.409 -0.979 -4.592 553 1HG2 ILE 72 1HG2 ILE 72 -10.963 0.932 -7.413 554 2HG2 ILE 72 2HG2 ILE 72 -11.462 -0.546 -6.589 555 3HG2 ILE 72 3HG2 ILE 72 -10.249 -0.616 -7.868 556 1HD1 ILE 72 1HD1 ILE 72 -11.113 -2.050 -5.365 557 2HD1 ILE 72 2HD1 ILE 72 -10.752 -1.154 -3.889 558 3HD1 ILE 72 3HD1 ILE 72 -10.015 -2.734 -4.166 559 H ALA 73 H ALA 73 -8.088 3.244 -5.997 560 HA ALA 73 HA ALA 73 -5.677 2.820 -4.411 561 1HB ALA 73 1HB ALA 73 -6.963 5.376 -5.361 562 2HB ALA 73 2HB ALA 73 -5.590 4.557 -6.110 563 3HB ALA 73 3HB ALA 73 -5.431 5.255 -4.497 564 H SER 74 H SER 74 -5.938 2.441 -2.314 565 HA SER 74 HA SER 74 -8.207 3.531 -0.863 566 1HB SER 74 2HB SER 74 -5.890 1.918 0.234 567 2HB SER 74 1HB SER 74 -7.479 2.147 0.963 568 HG SER 74 HG SER 74 -8.367 0.990 -0.809 569 H CYS 75 H CYS 75 -4.867 4.129 -1.415 570 HA CYS 75 HA CYS 75 -4.632 6.055 0.750 571 1HB CYS 75 2HB CYS 75 -2.728 4.592 0.302 572 2HB CYS 75 1HB CYS 75 -2.655 5.164 -1.360 573 HG CYS 75 HG CYS 75 -1.745 6.777 1.492 574 H SER 76 H SER 76 -4.525 8.237 0.489 575 HA SER 76 HA SER 76 -5.858 9.345 -1.751 576 1HB SER 76 2HB SER 76 -4.285 10.796 0.390 577 2HB SER 76 1HB SER 76 -5.559 11.471 -0.629 578 HG SER 76 HG SER 76 -5.749 9.658 1.518 579 H PHE 77 H PHE 77 -2.478 8.987 -0.904 580 HA PHE 77 HA PHE 77 -1.419 10.879 -2.716 581 1HB PHE 77 2HB PHE 77 -0.131 9.869 -0.842 582 2HB PHE 77 1HB PHE 77 -0.120 8.337 -1.705 583 HD1 PHE 77 HD1 PHE 77 1.056 11.835 -1.814 584 HD2 PHE 77 HD2 PHE 77 1.458 7.907 -3.405 585 HE1 PHE 77 HE1 PHE 77 3.121 12.517 -2.967 586 HE2 PHE 77 HE2 PHE 77 3.521 8.584 -4.559 587 HZ PHE 77 HZ PHE 77 4.357 10.889 -4.340 588 H ALA 78 H ALA 78 -1.845 7.357 -2.987 589 HA ALA 78 HA ALA 78 -1.027 7.152 -5.675 590 1HB ALA 78 1HB ALA 78 -2.917 5.360 -4.155 591 2HB ALA 78 2HB ALA 78 -1.158 5.227 -4.155 592 3HB ALA 78 3HB ALA 78 -2.065 4.954 -5.644 593 H LYS 79 H LYS 79 -4.136 7.763 -4.163 594 HA LYS 79 HA LYS 79 -5.829 7.523 -6.356 595 1HB LYS 79 2HB LYS 79 -6.611 7.855 -4.045 596 2HB LYS 79 1HB LYS 79 -5.990 9.499 -4.068 597 1HG LYS 79 2HG LYS 79 -8.323 9.643 -4.400 598 2HG LYS 79 1HG LYS 79 -7.570 9.962 -5.964 599 1HD LYS 79 2HD LYS 79 -7.986 7.623 -6.617 600 2HD LYS 79 1HD LYS 79 -8.784 7.347 -5.068 601 1HE LYS 79 2HE LYS 79 -9.653 9.238 -7.252 602 2HE LYS 79 1HE LYS 79 -10.450 7.743 -6.764 603 1HZ LYS 79 1HZ LYS 79 -10.212 10.250 -5.194 604 2HZ LYS 79 2HZ LYS 79 -10.775 8.789 -4.544 605 3HZ LYS 79 3HZ LYS 79 -11.629 9.545 -5.800 606 H HIS 80 H HIS 80 -4.071 10.395 -5.198 607 HA HIS 80 HA HIS 80 -5.141 12.094 -7.202 608 1HB HIS 80 2HB HIS 80 -2.843 12.420 -5.289 609 2HB HIS 80 1HB HIS 80 -3.295 13.672 -6.446 610 HD1 HIS 80 HD1 HIS 80 -3.509 13.776 -3.218 611 HD2 HIS 80 HD2 HIS 80 -6.606 13.249 -5.952 612 HE1 HIS 80 HE1 HIS 80 -5.599 14.527 -2.039 613 HE2 HIS 80 HE2 HIS 80 -7.431 14.353 -3.761 614 H MET 81 H MET 81 -2.576 9.835 -7.292 615 HA MET 81 HA MET 81 -1.289 11.106 -9.556 616 1HB MET 81 2HB MET 81 -0.894 8.394 -8.282 617 2HB MET 81 1HB MET 81 0.030 8.969 -9.661 618 1HG MET 81 2HG MET 81 0.797 10.879 -8.257 619 2HG MET 81 1HG MET 81 -0.003 10.119 -6.883 620 1HE MET 81 1HE MET 81 2.020 6.777 -6.523 621 2HE MET 81 2HE MET 81 0.518 7.040 -7.408 622 3HE MET 81 3HE MET 81 0.754 7.789 -5.828 623 H LEU 82 H LEU 82 -3.289 8.247 -8.952 624 HA LEU 82 HA LEU 82 -3.333 7.448 -11.691 625 1HB LEU 82 2HB LEU 82 -5.042 6.602 -9.352 626 2HB LEU 82 1HB LEU 82 -5.047 5.823 -10.920 627 HG LEU 82 HG LEU 82 -2.623 5.993 -9.132 628 1HD1 LEU 82 1HD1 LEU 82 -3.044 3.637 -8.639 629 2HD1 LEU 82 2HD1 LEU 82 -4.540 3.706 -9.569 630 3HD1 LEU 82 3HD1 LEU 82 -4.378 4.650 -8.089 631 1HD2 LEU 82 1HD2 LEU 82 -2.095 5.758 -11.499 632 2HD2 LEU 82 2HD2 LEU 82 -3.195 4.385 -11.618 633 3HD2 LEU 82 3HD2 LEU 82 -1.739 4.264 -10.628 634 H GLU 83 H GLU 83 -5.522 9.247 -9.603 635 HA GLU 83 HA GLU 83 -7.802 9.125 -11.276 636 1HB GLU 83 2HB GLU 83 -7.848 9.635 -8.850 637 2HB GLU 83 1HB GLU 83 -7.076 11.178 -9.176 638 1HG GLU 83 2HG GLU 83 -9.088 11.662 -10.673 639 2HG GLU 83 1HG GLU 83 -9.846 10.283 -9.873 640 H LYS 84 H LYS 84 -5.009 11.202 -11.240 641 HA LYS 84 HA LYS 84 -6.369 13.212 -12.874 642 1HB LYS 84 2HB LYS 84 -3.734 13.253 -11.410 643 2HB LYS 84 1HB LYS 84 -4.270 14.545 -12.475 644 1HG LYS 84 2HG LYS 84 -6.142 15.024 -11.061 645 2HG LYS 84 1HG LYS 84 -5.801 13.616 -10.053 646 1HD LYS 84 2HD LYS 84 -5.036 15.718 -9.026 647 2HD LYS 84 1HD LYS 84 -3.703 14.605 -9.338 648 1HE LYS 84 2HE LYS 84 -3.315 15.850 -11.489 649 2HE LYS 84 1HE LYS 84 -4.472 17.050 -10.915 650 1HZ LYS 84 1HZ LYS 84 -3.064 17.460 -9.007 651 2HZ LYS 84 2HZ LYS 84 -2.180 17.684 -10.439 652 3HZ LYS 84 3HZ LYS 84 -1.969 16.272 -9.524 653 H GLU 85 H GLU 85 -3.795 10.835 -13.086 654 HA GLU 85 HA GLU 85 -2.925 11.992 -15.629 655 1HB GLU 85 2HB GLU 85 -1.275 11.387 -13.815 656 2HB GLU 85 1HB GLU 85 -1.662 9.701 -14.129 657 1HG GLU 85 2HG GLU 85 -0.565 9.673 -16.124 658 2HG GLU 85 1HG GLU 85 -0.835 11.390 -16.424 659 H ASP 86 H ASP 86 -3.502 11.195 -17.499 660 HA ASP 86 HA ASP 86 -5.363 9.033 -17.659 661 1HB ASP 86 2HB ASP 86 -5.468 9.513 -20.027 662 2HB ASP 86 1HB ASP 86 -5.439 11.036 -19.145 663 H SER 87 H SER 87 -1.981 9.160 -17.716 664 HA SER 87 HA SER 87 -1.375 7.223 -19.662 665 1HB SER 87 2HB SER 87 0.229 8.867 -18.595 666 2HB SER 87 1HB SER 87 0.260 7.809 -17.187 667 HG SER 87 HG SER 87 0.797 6.780 -19.758 668 H TYR 88 H TYR 88 -2.424 6.920 -16.342 669 HA TYR 88 HA TYR 88 -1.857 4.036 -16.423 670 1HB TYR 88 2HB TYR 88 -2.547 5.758 -14.035 671 2HB TYR 88 1HB TYR 88 -2.101 4.056 -13.995 672 HD1 TYR 88 HD1 TYR 88 -0.926 7.349 -13.673 673 HD2 TYR 88 HD2 TYR 88 0.249 3.495 -15.034 674 HE1 TYR 88 HE1 TYR 88 1.431 7.988 -13.420 675 HE2 TYR 88 HE2 TYR 88 2.615 4.122 -14.785 676 HH TYR 88 HH TYR 88 3.603 6.938 -13.125 677 H GLN 89 H GLN 89 -4.362 6.157 -16.941 678 HA GLN 89 HA GLN 89 -6.385 4.678 -15.514 679 1HB GLN 89 2HB GLN 89 -6.380 7.193 -17.114 680 2HB GLN 89 1HB GLN 89 -7.904 6.355 -16.845 681 1HG GLN 89 2HG GLN 89 -7.568 6.474 -14.443 682 2HG GLN 89 1HG GLN 89 -6.010 7.260 -14.688 683 1HE2 GLN 89 1HE2 GLN 89 -5.933 9.395 -15.227 684 2HE2 GLN 89 2HE2 GLN 89 -7.317 10.433 -15.172 685 H ASP 90 H ASP 90 -5.810 2.705 -16.681 686 HA ASP 90 HA ASP 90 -7.886 2.347 -18.710 687 1HB ASP 90 2HB ASP 90 -5.732 2.428 -19.945 688 2HB ASP 90 1HB ASP 90 -5.128 1.109 -18.944 689 H VAL 91 H VAL 91 -5.538 0.776 -16.582 690 HA VAL 91 HA VAL 91 -7.462 -1.342 -15.981 691 HB VAL 91 HB VAL 91 -5.620 -2.362 -14.670 692 1HG1 VAL 91 1HG1 VAL 91 -5.926 -2.979 -17.002 693 2HG1 VAL 91 2HG1 VAL 91 -4.215 -2.987 -16.577 694 3HG1 VAL 91 3HG1 VAL 91 -4.887 -1.647 -17.507 695 1HG2 VAL 91 1HG2 VAL 91 -4.027 0.000 -15.666 696 2HG2 VAL 91 2HG2 VAL 91 -3.330 -1.435 -14.916 697 3HG2 VAL 91 3HG2 VAL 91 -4.407 -0.390 -13.989 698 H TYR 92 H TYR 92 -7.072 1.679 -15.052 699 HA TYR 92 HA TYR 92 -7.463 1.225 -12.184 700 1HB TYR 92 2HB TYR 92 -5.762 2.861 -12.601 701 2HB TYR 92 1HB TYR 92 -6.770 3.702 -13.774 702 HD1 TYR 92 HD1 TYR 92 -7.965 5.567 -13.104 703 HD2 TYR 92 HD2 TYR 92 -6.699 2.770 -10.159 704 HE1 TYR 92 HE1 TYR 92 -8.795 7.059 -11.338 705 HE2 TYR 92 HE2 TYR 92 -7.526 4.255 -8.385 706 HH TYR 92 HH TYR 92 -9.551 6.907 -9.016 707 H LEU 93 H LEU 93 -9.368 1.757 -11.193 708 HA LEU 93 HA LEU 93 -11.641 2.094 -12.937 709 1HB LEU 93 2HB LEU 93 -11.428 1.750 -9.950 710 2HB LEU 93 1HB LEU 93 -12.950 1.919 -10.803 711 HG LEU 93 HG LEU 93 -10.960 -0.318 -11.193 712 1HD1 LEU 93 1HD1 LEU 93 -12.108 -0.469 -9.058 713 2HD1 LEU 93 2HD1 LEU 93 -12.678 -1.719 -10.166 714 3HD1 LEU 93 3HD1 LEU 93 -13.666 -0.287 -9.867 715 1HD2 LEU 93 1HD2 LEU 93 -12.688 -1.320 -12.600 716 2HD2 LEU 93 2HD2 LEU 93 -12.152 0.231 -13.248 717 3HD2 LEU 93 3HD2 LEU 93 -13.691 0.116 -12.393 718 H GLY 94 H GLY 94 -11.364 4.147 -13.738 719 1HA GLY 94 2HA GLY 94 -12.532 6.209 -12.075 720 2HA GLY 94 1HA GLY 94 -10.888 6.546 -12.611 721 H LEU 95 H LEU 95 -10.538 7.270 -14.637 722 HA LEU 95 HA LEU 95 -10.908 8.032 -16.734 723 1HB LEU 95 2HB LEU 95 -12.759 5.653 -16.728 724 2HB LEU 95 1HB LEU 95 -12.537 6.657 -18.145 725 HG LEU 95 HG LEU 95 -10.105 6.078 -18.114 726 1HD1 LEU 95 1HD1 LEU 95 -9.355 4.191 -16.779 727 2HD1 LEU 95 2HD1 LEU 95 -10.933 4.100 -15.995 728 3HD1 LEU 95 3HD1 LEU 95 -9.902 5.509 -15.741 729 1HD2 LEU 95 1HD2 LEU 95 -10.412 3.818 -18.970 730 2HD2 LEU 95 2HD2 LEU 95 -11.678 4.902 -19.549 731 3HD2 LEU 95 3HD2 LEU 95 -12.020 3.760 -18.250 732 H GLU 96 H GLU 96 -11.889 9.878 -15.438 733 HA GLU 96 HA GLU 96 -14.763 10.121 -15.924 734 1HB GLU 96 2HB GLU 96 -13.393 10.803 -13.718 735 2HB GLU 96 1HB GLU 96 -13.260 12.318 -14.598 736 1HG GLU 96 2HG GLU 96 -15.798 10.911 -13.794 737 2HG GLU 96 1HG GLU 96 -15.145 12.393 -13.105 738 H HIS 97 H HIS 97 -14.834 10.469 -18.106 739 HA HIS 97 HA HIS 97 -13.544 12.900 -19.101 740 1HB HIS 97 2HB HIS 97 -14.680 12.094 -21.324 741 2HB HIS 97 1HB HIS 97 -13.206 11.323 -20.760 742 HD1 HIS 97 HD1 HIS 97 -13.267 8.855 -20.855 743 HD2 HIS 97 HD2 HIS 97 -17.074 10.486 -20.441 744 HE1 HIS 97 HE1 HIS 97 -14.852 6.906 -20.922 745 HE2 HIS 97 HE2 HIS 97 -17.122 7.900 -20.471 746 H HIS 98 H HIS 98 -14.623 14.626 -18.506 747 HA HIS 98 HA HIS 98 -17.345 14.471 -17.700 748 1HB HIS 98 2HB HIS 98 -15.336 15.993 -16.884 749 2HB HIS 98 1HB HIS 98 -15.996 17.100 -18.082 750 HD1 HIS 98 HD1 HIS 98 -17.023 15.225 -14.966 751 HD2 HIS 98 HD2 HIS 98 -18.184 18.524 -17.230 752 HE1 HIS 98 HE1 HIS 98 -18.822 16.380 -13.624 753 HE2 HIS 98 HE2 HIS 98 -19.425 18.441 -14.955 754 H HIS 99 H HIS 99 -19.088 14.737 -18.855 755 HA HIS 99 HA HIS 99 -18.944 16.095 -21.455 756 1HB HIS 99 2HB HIS 99 -21.065 14.312 -20.238 757 2HB HIS 99 1HB HIS 99 -21.227 15.110 -21.798 758 HD1 HIS 99 HD1 HIS 99 -19.755 12.148 -20.154 759 HD2 HIS 99 HD2 HIS 99 -19.478 14.093 -23.820 760 HE1 HIS 99 HE1 HIS 99 -18.666 10.508 -21.710 761 HE2 HIS 99 HE2 HIS 99 -18.659 11.641 -23.960 762 H HIS 100 H HIS 100 -21.001 17.391 -21.982 763 HA HIS 100 HA HIS 100 -21.228 19.393 -19.929 764 1HB HIS 100 2HB HIS 100 -22.222 19.177 -22.745 765 2HB HIS 100 1HB HIS 100 -22.875 20.413 -21.673 766 HD1 HIS 100 HD1 HIS 100 -21.065 22.121 -20.660 767 HD2 HIS 100 HD2 HIS 100 -19.791 19.786 -23.860 768 HE1 HIS 100 HE1 HIS 100 -19.007 23.258 -21.553 769 HE2 HIS 100 HE2 HIS 100 -18.237 21.826 -23.482 770 H HIS 101 H HIS 101 -22.203 18.144 -18.309 771 HA HIS 101 HA HIS 101 -25.138 18.189 -18.563 772 1HB HIS 101 2HB HIS 101 -23.491 16.191 -16.984 773 2HB HIS 101 1HB HIS 101 -25.240 16.336 -16.903 774 HD1 HIS 101 HD1 HIS 101 -26.602 15.475 -18.942 775 HD2 HIS 101 HD2 HIS 101 -22.500 14.839 -19.200 776 HE1 HIS 101 HE1 HIS 101 -26.287 13.794 -20.792 777 HE2 HIS 101 HE2 HIS 101 -23.794 13.446 -20.956 778 H HIS 102 HN HIS 102 -22.662 17.763 -16.074 779 HA HIS 102 HA HIS 102 -23.134 20.346 -14.925 780 1HB HIS 102 2HB HIS 102 -25.016 18.773 -14.075 781 2HB HIS 102 1HB HIS 102 -23.743 17.992 -13.144 782 HD1 HIS 102 HD1 HIS 102 -22.478 19.614 -11.363 783 HD2 HIS 102 HD2 HIS 102 -26.069 21.002 -12.952 784 HE1 HIS 102 HE1 HIS 102 -23.236 21.464 -9.832 785 HE2 HIS 102 HE2 HIS 102 -25.346 22.365 -10.878 Start of MODEL 19 1 1H MET 1 1H MET 1 23.150 3.621 1.736 2 2H MET 1 2H MET 1 22.156 4.370 0.589 3 3H MET 1 3H MET 1 23.654 5.061 1.001 4 HA MET 1 HA MET 1 23.759 3.975 -1.133 5 1HB MET 1 2HB MET 1 25.664 2.418 -0.617 6 2HB MET 1 1HB MET 1 25.812 4.022 0.084 7 1HG MET 1 2HG MET 1 25.185 3.194 2.247 8 2HG MET 1 1HG MET 1 24.838 1.600 1.578 9 1HE MET 1 1HE MET 1 28.404 0.394 0.497 10 2HE MET 1 2HE MET 1 27.204 1.232 -0.485 11 3HE MET 1 3HE MET 1 26.701 -0.043 0.624 12 H SER 2 H SER 2 22.199 2.861 -2.108 13 HA SER 2 HA SER 2 22.141 0.030 -1.877 14 1HB SER 2 2HB SER 2 20.680 0.791 0.071 15 2HB SER 2 1HB SER 2 19.567 1.439 -1.132 16 HG SER 2 HG SER 2 20.176 -1.215 -0.484 17 H ASN 3 H ASN 3 19.824 -0.562 -3.155 18 HA ASN 3 HA ASN 3 20.233 0.732 -5.743 19 1HB ASN 3 2HB ASN 3 18.614 -1.714 -4.992 20 2HB ASN 3 1HB ASN 3 18.829 -1.111 -6.630 21 1HD2 ASN 3 1HD2 ASN 3 20.825 -1.369 -7.652 22 2HD2 ASN 3 2HD2 ASN 3 22.019 -2.465 -7.044 23 H LEU 4 H LEU 4 18.778 2.026 -6.701 24 HA LEU 4 HA LEU 4 16.478 2.937 -5.225 25 1HB LEU 4 2HB LEU 4 17.952 4.394 -6.646 26 2HB LEU 4 1HB LEU 4 17.300 3.592 -8.060 27 HG LEU 4 HG LEU 4 15.029 4.416 -7.394 28 1HD1 LEU 4 1HD1 LEU 4 15.454 4.776 -5.028 29 2HD1 LEU 4 2HD1 LEU 4 14.907 6.265 -5.800 30 3HD1 LEU 4 3HD1 LEU 4 16.615 6.047 -5.417 31 1HD2 LEU 4 1HD2 LEU 4 16.388 5.527 -9.103 32 2HD2 LEU 4 2HD2 LEU 4 17.126 6.532 -7.856 33 3HD2 LEU 4 3HD2 LEU 4 15.402 6.675 -8.197 34 H GLU 5 H GLU 5 16.826 0.159 -6.588 35 HA GLU 5 HA GLU 5 14.556 0.084 -8.370 36 1HB GLU 5 2HB GLU 5 16.559 -1.956 -7.449 37 2HB GLU 5 1HB GLU 5 15.129 -2.422 -8.363 38 1HG GLU 5 2HG GLU 5 17.217 -0.455 -9.275 39 2HG GLU 5 1HG GLU 5 17.097 -2.140 -9.789 40 H ILE 6 H ILE 6 12.777 -1.335 -8.075 41 HA ILE 6 HA ILE 6 11.616 -1.043 -5.496 42 HB ILE 6 HB ILE 6 10.655 -2.638 -7.874 43 1HG1 ILE 6 2HG1 ILE 6 9.935 0.145 -6.924 44 2HG1 ILE 6 1HG1 ILE 6 10.918 -0.236 -8.334 45 1HG2 ILE 6 1HG2 ILE 6 9.630 -3.395 -5.793 46 2HG2 ILE 6 2HG2 ILE 6 8.458 -2.555 -6.808 47 3HG2 ILE 6 3HG2 ILE 6 9.162 -1.737 -5.414 48 1HD1 ILE 6 1HD1 ILE 6 8.652 0.341 -8.965 49 2HD1 ILE 6 2HD1 ILE 6 8.026 -0.960 -7.953 50 3HD1 ILE 6 3HD1 ILE 6 9.009 -1.338 -9.369 51 H LYS 7 H LYS 7 12.070 -2.262 -3.813 52 HA LYS 7 HA LYS 7 12.897 -5.035 -4.169 53 1HB LYS 7 2HB LYS 7 12.726 -3.322 -1.682 54 2HB LYS 7 1HB LYS 7 13.394 -4.948 -1.757 55 1HG LYS 7 2HG LYS 7 15.189 -4.219 -3.158 56 2HG LYS 7 1HG LYS 7 14.473 -2.615 -3.326 57 1HD LYS 7 2HD LYS 7 14.789 -2.219 -0.937 58 2HD LYS 7 1HD LYS 7 15.478 -3.834 -0.755 59 1HE LYS 7 2HE LYS 7 17.304 -3.234 -2.252 60 2HE LYS 7 1HE LYS 7 16.608 -1.629 -2.476 61 1HZ LYS 7 1HZ LYS 7 17.493 -2.707 0.145 62 2HZ LYS 7 2HZ LYS 7 17.000 -1.120 -0.192 63 3HZ LYS 7 3HZ LYS 7 18.444 -1.713 -0.845 64 H GLN 8 H GLN 8 11.528 -6.663 -3.946 65 HA GLN 8 HA GLN 8 8.780 -6.114 -3.298 66 1HB GLN 8 2HB GLN 8 8.427 -8.501 -3.893 67 2HB GLN 8 1HB GLN 8 9.204 -7.563 -5.159 68 1HG GLN 8 2HG GLN 8 11.386 -8.479 -4.441 69 2HG GLN 8 1HG GLN 8 10.538 -9.487 -3.269 70 1HE2 GLN 8 1HE2 GLN 8 9.266 -11.204 -4.003 71 2HE2 GLN 8 2HE2 GLN 8 9.423 -11.839 -5.614 72 H GLY 9 H GLY 9 7.584 -6.945 -1.634 73 1HA GLY 9 2HA GLY 9 8.875 -8.618 0.376 74 2HA GLY 9 1HA GLY 9 8.356 -7.020 0.896 75 H GLU 10 H GLU 10 7.021 -8.378 2.388 76 HA GLU 10 HA GLU 10 4.951 -10.022 1.419 77 1HB GLU 10 2HB GLU 10 5.730 -10.187 3.719 78 2HB GLU 10 1HB GLU 10 5.176 -8.551 4.050 79 1HG GLU 10 2HG GLU 10 2.864 -9.288 3.564 80 2HG GLU 10 1HG GLU 10 3.465 -10.934 3.385 81 H ASN 11 H ASN 11 3.677 -9.129 -0.106 82 HA ASN 11 HA ASN 11 1.899 -8.018 -0.973 83 1HB ASN 11 2HB ASN 11 1.367 -7.360 1.935 84 2HB ASN 11 1HB ASN 11 0.238 -7.056 0.619 85 1HD2 ASN 11 1HD2 ASN 11 0.003 -8.768 3.006 86 2HD2 ASN 11 2HD2 ASN 11 -0.356 -10.350 2.399 87 H LYS 12 H LYS 12 4.526 -6.644 -0.471 88 HA LYS 12 HA LYS 12 3.575 -3.932 -0.945 89 1HB LYS 12 2HB LYS 12 4.958 -2.916 0.726 90 2HB LYS 12 1HB LYS 12 3.984 -4.147 1.517 91 1HG LYS 12 2HG LYS 12 5.900 -5.670 1.504 92 2HG LYS 12 1HG LYS 12 6.875 -4.427 0.716 93 1HD LYS 12 2HD LYS 12 5.633 -4.292 3.463 94 2HD LYS 12 1HD LYS 12 7.349 -4.434 3.083 95 1HE LYS 12 2HE LYS 12 7.261 -2.235 1.975 96 2HE LYS 12 1HE LYS 12 5.562 -2.095 2.420 97 1HZ LYS 12 1HZ LYS 12 6.468 -2.469 4.800 98 2HZ LYS 12 2HZ LYS 12 6.595 -0.932 4.086 99 3HZ LYS 12 3HZ LYS 12 7.947 -1.962 4.138 100 H PHE 13 H PHE 13 4.980 -2.639 -2.079 101 HA PHE 13 HA PHE 13 7.567 -3.821 -2.858 102 1HB PHE 13 2HB PHE 13 5.689 -2.106 -4.503 103 2HB PHE 13 1HB PHE 13 7.346 -2.467 -4.972 104 HD1 PHE 13 HD1 PHE 13 7.844 -5.147 -4.759 105 HD2 PHE 13 HD2 PHE 13 4.090 -3.314 -5.590 106 HE1 PHE 13 HE1 PHE 13 7.088 -7.208 -5.872 107 HE2 PHE 13 HE2 PHE 13 3.330 -5.374 -6.699 108 HZ PHE 13 HZ PHE 13 4.827 -7.323 -6.842 109 H TYR 14 H TYR 14 9.242 -2.638 -2.080 110 HA TYR 14 HA TYR 14 8.703 0.195 -1.516 111 1HB TYR 14 2HB TYR 14 9.867 0.047 0.620 112 2HB TYR 14 1HB TYR 14 8.494 -1.049 0.583 113 HD1 TYR 14 HD1 TYR 14 8.943 -3.525 0.203 114 HD2 TYR 14 HD2 TYR 14 12.028 -0.733 1.100 115 HE1 TYR 14 HE1 TYR 14 10.404 -5.373 0.908 116 HE2 TYR 14 HE2 TYR 14 13.499 -2.576 1.801 117 HH TYR 14 HH TYR 14 13.159 -4.962 2.706 118 H ILE 15 H ILE 15 10.138 1.554 -2.215 119 HA ILE 15 HA ILE 15 12.797 0.599 -2.996 120 HB ILE 15 HB ILE 15 11.462 3.264 -3.538 121 1HG1 ILE 15 2HG1 ILE 15 12.053 0.951 -5.400 122 2HG1 ILE 15 1HG1 ILE 15 10.460 1.374 -4.782 123 1HG2 ILE 15 1HG2 ILE 15 13.358 3.687 -5.028 124 2HG2 ILE 15 2HG2 ILE 15 14.089 2.163 -4.529 125 3HG2 ILE 15 3HG2 ILE 15 13.883 3.466 -3.359 126 1HD1 ILE 15 1HD1 ILE 15 12.180 3.066 -6.579 127 2HD1 ILE 15 2HD1 ILE 15 10.606 3.531 -5.938 128 3HD1 ILE 15 3HD1 ILE 15 10.737 2.167 -7.048 129 H GLY 16 H GLY 16 14.031 0.543 -1.205 130 1HA GLY 16 2HA GLY 16 14.178 3.019 0.367 131 2HA GLY 16 1HA GLY 16 13.983 1.481 1.182 132 H ASP 17 H ASP 17 16.087 3.670 0.867 133 HA ASP 17 HA ASP 17 18.452 2.372 -0.033 134 1HB ASP 17 2HB ASP 17 18.191 4.848 0.188 135 2HB ASP 17 1HB ASP 17 18.152 4.658 1.938 136 H ASP 18 H ASP 18 16.714 2.651 2.949 137 HA ASP 18 HA ASP 18 18.110 0.289 3.957 138 1HB ASP 18 2HB ASP 18 19.055 2.267 5.136 139 2HB ASP 18 1HB ASP 18 17.429 2.730 5.627 140 H GLU 19 H GLU 19 16.674 -0.906 5.520 141 HA GLU 19 HA GLU 19 13.990 -0.833 4.510 142 1HB GLU 19 2HB GLU 19 15.277 -2.567 6.612 143 2HB GLU 19 1HB GLU 19 13.600 -2.734 6.105 144 1HG GLU 19 2HG GLU 19 14.551 -2.964 3.733 145 2HG GLU 19 1HG GLU 19 16.097 -3.244 4.534 146 H ASN 20 H ASN 20 15.588 0.501 7.268 147 HA ASN 20 HA ASN 20 13.076 1.100 8.621 148 1HB ASN 20 2HB ASN 20 15.939 1.889 9.191 149 2HB ASN 20 1HB ASN 20 14.574 2.451 10.148 150 1HD2 ASN 20 1HD2 ASN 20 13.128 -0.053 9.958 151 2HD2 ASN 20 2HD2 ASN 20 13.952 -1.166 10.991 152 H ASN 21 H ASN 21 15.153 2.428 6.271 153 HA ASN 21 HA ASN 21 13.712 4.993 6.381 154 1HB ASN 21 2HB ASN 21 16.526 4.347 5.524 155 2HB ASN 21 1HB ASN 21 15.721 5.815 4.983 156 1HD2 ASN 21 1HD2 ASN 21 14.267 6.313 7.384 157 2HD2 ASN 21 2HD2 ASN 21 15.410 6.796 8.591 158 H ALA 22 H ALA 22 12.494 2.859 5.220 159 HA ALA 22 HA ALA 22 12.872 2.706 2.422 160 1HB ALA 22 1HB ALA 22 11.635 0.992 3.630 161 2HB ALA 22 2HB ALA 22 10.623 1.711 2.379 162 3HB ALA 22 3HB ALA 22 10.395 2.171 4.065 163 H LEU 23 H LEU 23 12.914 4.566 1.323 164 HA LEU 23 HA LEU 23 11.595 6.922 2.039 165 1HB LEU 23 2HB LEU 23 12.619 6.105 -0.680 166 2HB LEU 23 1HB LEU 23 12.217 7.739 -0.192 167 HG LEU 23 HG LEU 23 14.450 6.052 0.948 168 1HD1 LEU 23 1HD1 LEU 23 14.501 8.498 -0.817 169 2HD1 LEU 23 2HD1 LEU 23 14.900 6.853 -1.314 170 3HD1 LEU 23 3HD1 LEU 23 15.910 7.688 -0.134 171 1HD2 LEU 23 1HD2 LEU 23 13.634 8.894 1.554 172 2HD2 LEU 23 2HD2 LEU 23 15.084 8.091 2.154 173 3HD2 LEU 23 3HD2 LEU 23 13.491 7.515 2.644 174 H ALA 24 H ALA 24 10.840 4.657 -0.598 175 HA ALA 24 HA ALA 24 8.084 5.681 -0.529 176 1HB ALA 24 1HB ALA 24 9.254 6.610 -2.464 177 2HB ALA 24 2HB ALA 24 7.976 5.499 -2.958 178 3HB ALA 24 3HB ALA 24 9.662 4.983 -3.004 179 H GLU 25 H GLU 25 6.849 4.075 0.206 180 HA GLU 25 HA GLU 25 7.278 1.404 -0.956 181 1HB GLU 25 2HB GLU 25 6.621 0.361 1.118 182 2HB GLU 25 1HB GLU 25 7.970 1.444 1.417 183 1HG GLU 25 2HG GLU 25 6.465 3.104 2.337 184 2HG GLU 25 1HG GLU 25 5.081 2.079 1.972 185 H ILE 26 H ILE 26 5.543 0.443 -1.820 186 HA ILE 26 HA ILE 26 2.918 1.669 -1.299 187 HB ILE 26 HB ILE 26 3.628 2.225 -3.566 188 1HG1 ILE 26 2HG1 ILE 26 1.473 0.104 -3.632 189 2HG1 ILE 26 1HG1 ILE 26 1.227 1.755 -3.074 190 1HG2 ILE 26 1HG2 ILE 26 3.843 -0.748 -3.991 191 2HG2 ILE 26 2HG2 ILE 26 5.163 0.421 -4.013 192 3HG2 ILE 26 3HG2 ILE 26 3.925 0.466 -5.269 193 1HD1 ILE 26 1HD1 ILE 26 0.437 1.451 -5.351 194 2HD1 ILE 26 2HD1 ILE 26 2.050 0.940 -5.852 195 3HD1 ILE 26 3HD1 ILE 26 1.783 2.591 -5.290 196 H THR 27 H THR 27 1.326 0.348 -0.701 197 HA THR 27 HA THR 27 1.848 -2.550 -0.773 198 HB THR 27 HB THR 27 0.454 -2.716 1.280 199 HG1 THR 27 HG1 THR 27 -0.484 -0.983 2.113 200 1HG2 THR 27 1HG2 THR 27 2.089 -1.794 2.849 201 2HG2 THR 27 2HG2 THR 27 2.788 -0.817 1.557 202 3HG2 THR 27 3HG2 THR 27 2.894 -2.575 1.490 203 H TYR 28 H TYR 28 0.175 -3.867 -1.482 204 HA TYR 28 HA TYR 28 -2.424 -2.644 -1.973 205 1HB TYR 28 2HB TYR 28 -2.547 -3.247 -4.280 206 2HB TYR 28 1HB TYR 28 -1.051 -2.353 -4.063 207 HD1 TYR 28 HD1 TYR 28 -2.539 -5.304 -5.343 208 HD2 TYR 28 HD2 TYR 28 1.113 -3.776 -3.778 209 HE1 TYR 28 HE1 TYR 28 -1.312 -7.142 -6.424 210 HE2 TYR 28 HE2 TYR 28 2.346 -5.607 -4.857 211 HH TYR 28 HH TYR 28 1.899 -7.896 -5.671 212 H ARG 29 H ARG 29 -4.121 -4.131 -2.184 213 HA ARG 29 HA ARG 29 -3.412 -6.870 -1.360 214 1HB ARG 29 2HB ARG 29 -4.264 -5.436 0.516 215 2HB ARG 29 1HB ARG 29 -5.778 -5.278 -0.359 216 1HG ARG 29 2HG ARG 29 -5.951 -7.787 -0.283 217 2HG ARG 29 1HG ARG 29 -4.582 -7.764 0.832 218 1HD ARG 29 2HD ARG 29 -5.926 -6.174 2.253 219 2HD ARG 29 1HD ARG 29 -7.301 -6.531 1.211 220 HE ARG 29 HE ARG 29 -6.007 -8.359 3.097 221 1HH1 ARG 29 2HH1 ARG 29 -8.487 -7.811 0.691 222 2HH1 ARG 29 1HH1 ARG 29 -9.459 -9.158 1.195 223 1HH2 ARG 29 1HH2 ARG 29 -7.271 -10.104 3.784 224 2HH2 ARG 29 2HH2 ARG 29 -8.780 -10.455 2.988 225 H PHE 30 H PHE 30 -4.871 -8.499 -2.015 226 HA PHE 30 HA PHE 30 -6.434 -7.827 -4.376 227 1HB PHE 30 2HB PHE 30 -5.756 -10.470 -3.066 228 2HB PHE 30 1HB PHE 30 -6.793 -10.326 -4.481 229 HD1 PHE 30 HD1 PHE 30 -3.354 -9.873 -3.222 230 HD2 PHE 30 HD2 PHE 30 -5.883 -9.985 -6.646 231 HE1 PHE 30 HE1 PHE 30 -1.372 -9.951 -4.679 232 HE2 PHE 30 HE2 PHE 30 -3.902 -10.061 -8.107 233 HZ PHE 30 HZ PHE 30 -1.644 -10.045 -7.124 234 H VAL 31 H VAL 31 -8.337 -6.885 -3.839 235 HA VAL 31 HA VAL 31 -9.854 -7.730 -1.546 236 HB VAL 31 HB VAL 31 -11.661 -6.256 -2.470 237 1HG1 VAL 31 1HG1 VAL 31 -10.448 -4.158 -2.062 238 2HG1 VAL 31 2HG1 VAL 31 -8.920 -5.032 -2.178 239 3HG1 VAL 31 3HG1 VAL 31 -10.052 -5.397 -0.874 240 1HG2 VAL 31 1HG2 VAL 31 -9.596 -5.626 -4.581 241 2HG2 VAL 31 2HG2 VAL 31 -11.118 -4.767 -4.336 242 3HG2 VAL 31 3HG2 VAL 31 -11.131 -6.456 -4.844 243 H ASP 32 H ASP 32 -9.794 -8.375 -4.948 244 HA ASP 32 HA ASP 32 -11.407 -10.763 -4.502 245 1HB ASP 32 2HB ASP 32 -11.966 -8.691 -6.640 246 2HB ASP 32 1HB ASP 32 -12.536 -10.352 -6.754 247 H ASN 33 H ASN 33 -11.165 -12.210 -6.553 248 HA ASN 33 HA ASN 33 -8.319 -12.352 -7.035 249 1HB ASN 33 2HB ASN 33 -9.888 -14.345 -6.578 250 2HB ASN 33 1HB ASN 33 -10.384 -14.179 -8.260 251 1HD2 ASN 33 1HD2 ASN 33 -8.912 -14.691 -9.904 252 2HD2 ASN 33 2HD2 ASN 33 -7.462 -15.588 -9.586 253 H ASN 34 H ASN 34 -8.848 -10.115 -8.134 254 HA ASN 34 HA ASN 34 -8.047 -10.169 -10.755 255 1HB ASN 34 2HB ASN 34 -10.845 -10.779 -10.613 256 2HB ASN 34 1HB ASN 34 -10.652 -9.193 -11.356 257 1HD2 ASN 34 1HD2 ASN 34 -9.402 -9.023 -13.270 258 2HD2 ASN 34 2HD2 ASN 34 -9.146 -10.395 -14.290 259 H GLU 35 H GLU 35 -9.731 -8.568 -8.185 260 HA GLU 35 HA GLU 35 -8.911 -5.965 -9.287 261 1HB GLU 35 2HB GLU 35 -11.032 -6.508 -7.200 262 2HB GLU 35 1HB GLU 35 -10.609 -4.934 -7.860 263 1HG GLU 35 2HG GLU 35 -11.293 -5.807 -10.111 264 2HG GLU 35 1HG GLU 35 -11.916 -7.234 -9.285 265 H ILE 36 H ILE 36 -7.503 -4.753 -8.208 266 HA ILE 36 HA ILE 36 -6.665 -5.669 -5.532 267 HB ILE 36 HB ILE 36 -4.390 -4.831 -6.066 268 1HG1 ILE 36 2HG1 ILE 36 -5.437 -4.637 -8.901 269 2HG1 ILE 36 1HG1 ILE 36 -5.060 -3.264 -7.867 270 1HG2 ILE 36 1HG2 ILE 36 -3.731 -6.715 -7.475 271 2HG2 ILE 36 2HG2 ILE 36 -5.419 -6.966 -7.924 272 3HG2 ILE 36 3HG2 ILE 36 -4.907 -7.197 -6.252 273 1HD1 ILE 36 1HD1 ILE 36 -3.099 -5.325 -8.843 274 2HD1 ILE 36 2HD1 ILE 36 -2.723 -3.948 -7.808 275 3HD1 ILE 36 3HD1 ILE 36 -3.283 -3.683 -9.460 276 H ASN 37 H ASN 37 -6.320 -4.110 -3.981 277 HA ASN 37 HA ASN 37 -6.961 -1.357 -4.814 278 1HB ASN 37 2HB ASN 37 -7.895 -0.922 -2.641 279 2HB ASN 37 1HB ASN 37 -8.648 -2.381 -3.271 280 1HD2 ASN 37 1HD2 ASN 37 -8.057 -1.237 -0.509 281 2HD2 ASN 37 2HD2 ASN 37 -7.360 -2.573 0.346 282 H ILE 38 H ILE 38 -5.564 0.236 -4.331 283 HA ILE 38 HA ILE 38 -3.031 -0.403 -3.164 284 HB ILE 38 HB ILE 38 -4.274 2.187 -4.057 285 1HG1 ILE 38 2HG1 ILE 38 -2.247 2.212 -5.531 286 2HG1 ILE 38 1HG1 ILE 38 -1.824 0.625 -4.901 287 1HG2 ILE 38 1HG2 ILE 38 -2.200 3.348 -3.438 288 2HG2 ILE 38 2HG2 ILE 38 -1.635 1.882 -2.637 289 3HG2 ILE 38 3HG2 ILE 38 -3.058 2.726 -2.028 290 1HD1 ILE 38 1HD1 ILE 38 -2.892 0.450 -7.062 291 2HD1 ILE 38 2HD1 ILE 38 -4.305 1.312 -6.453 292 3HD1 ILE 38 3HD1 ILE 38 -3.899 -0.281 -5.812 293 H ASP 39 H ASP 39 -2.877 -0.863 -1.123 294 HA ASP 39 HA ASP 39 -4.796 -0.051 0.830 295 1HB ASP 39 2HB ASP 39 -3.714 -2.237 0.949 296 2HB ASP 39 1HB ASP 39 -2.137 -1.472 1.104 297 H HIS 40 H HIS 40 -1.428 0.760 0.139 298 HA HIS 40 HA HIS 40 -1.712 3.354 1.368 299 1HB HIS 40 2HB HIS 40 -1.260 2.104 3.374 300 2HB HIS 40 1HB HIS 40 0.044 1.217 2.601 301 HD1 HIS 40 HD1 HIS 40 -0.765 4.598 4.064 302 HD2 HIS 40 HD2 HIS 40 2.518 2.427 2.712 303 HE1 HIS 40 HE1 HIS 40 1.254 5.917 4.760 304 HE2 HIS 40 HE2 HIS 40 3.216 4.463 4.151 305 H THR 41 H THR 41 -0.128 4.791 0.657 306 HA THR 41 HA THR 41 2.143 3.690 -0.834 307 HB THR 41 HB THR 41 0.402 5.924 -1.904 308 HG1 THR 41 HG1 THR 41 0.238 3.215 -2.137 309 1HG2 THR 41 1HG2 THR 41 1.777 5.730 -3.917 310 2HG2 THR 41 2HG2 THR 41 2.754 4.484 -3.141 311 3HG2 THR 41 3HG2 THR 41 2.772 6.134 -2.517 312 H GLY 42 H GLY 42 3.706 4.338 0.525 313 1HA GLY 42 2HA GLY 42 3.630 7.121 1.507 314 2HA GLY 42 1HA GLY 42 4.512 5.800 2.266 315 H VAL 43 H VAL 43 4.553 8.240 -0.164 316 HA VAL 43 HA VAL 43 7.233 7.370 -1.003 317 HB VAL 43 HB VAL 43 5.345 9.253 -2.425 318 1HG1 VAL 43 1HG1 VAL 43 6.939 9.145 -4.277 319 2HG1 VAL 43 2HG1 VAL 43 8.004 8.124 -3.310 320 3HG1 VAL 43 3HG1 VAL 43 7.703 9.792 -2.825 321 1HG2 VAL 43 1HG2 VAL 43 5.145 7.454 -4.087 322 2HG2 VAL 43 2HG2 VAL 43 4.550 6.957 -2.504 323 3HG2 VAL 43 3HG2 VAL 43 6.131 6.410 -3.061 324 H SER 44 H SER 44 8.530 8.287 0.510 325 HA SER 44 HA SER 44 8.295 11.127 1.091 326 1HB SER 44 2HB SER 44 8.911 9.595 2.917 327 2HB SER 44 1HB SER 44 10.339 9.085 2.020 328 HG SER 44 HG SER 44 11.342 10.764 2.783 329 H ASP 45 H ASP 45 9.786 12.668 0.435 330 HA ASP 45 HA ASP 45 11.610 11.777 -1.692 331 1HB ASP 45 2HB ASP 45 9.776 12.916 -2.758 332 2HB ASP 45 1HB ASP 45 9.929 14.282 -1.655 333 H GLU 46 H GLU 46 13.518 11.893 -0.879 334 HA GLU 46 HA GLU 46 14.373 14.397 0.408 335 1HB GLU 46 2HB GLU 46 14.589 12.260 1.734 336 2HB GLU 46 1HB GLU 46 15.724 11.691 0.521 337 1HG GLU 46 2HG GLU 46 17.125 13.709 1.043 338 2HG GLU 46 1HG GLU 46 16.056 13.993 2.419 339 H LEU 47 H LEU 47 14.200 13.053 -2.488 340 HA LEU 47 HA LEU 47 17.013 13.395 -3.245 341 1HB LEU 47 2HB LEU 47 14.764 12.016 -4.705 342 2HB LEU 47 1HB LEU 47 16.424 12.117 -5.265 343 HG LEU 47 HG LEU 47 15.519 10.716 -2.743 344 1HD1 LEU 47 1HD1 LEU 47 14.788 9.540 -4.750 345 2HD1 LEU 47 2HD1 LEU 47 16.083 8.659 -3.939 346 3HD1 LEU 47 3HD1 LEU 47 16.432 9.598 -5.391 347 1HD2 LEU 47 1HD2 LEU 47 18.227 10.878 -4.066 348 2HD2 LEU 47 2HD2 LEU 47 17.820 9.840 -2.701 349 3HD2 LEU 47 3HD2 LEU 47 17.772 11.593 -2.519 350 H GLY 48 H GLY 48 13.740 14.444 -4.097 351 1HA GLY 48 2HA GLY 48 13.716 16.885 -4.682 352 2HA GLY 48 1HA GLY 48 14.993 16.495 -5.821 353 H GLY 49 H GLY 49 12.249 14.411 -5.242 354 1HA GLY 49 2HA GLY 49 10.484 13.782 -6.558 355 2HA GLY 49 1HA GLY 49 10.514 15.409 -7.217 356 H GLN 50 H GLN 50 12.917 12.784 -7.415 357 HA GLN 50 HA GLN 50 13.133 13.290 -10.255 358 1HB GLN 50 2HB GLN 50 15.027 11.768 -10.225 359 2HB GLN 50 1HB GLN 50 15.171 12.955 -8.939 360 1HG GLN 50 2HG GLN 50 14.375 11.280 -7.331 361 2HG GLN 50 1HG GLN 50 14.296 10.094 -8.632 362 1HE2 GLN 50 1HE2 GLN 50 16.790 12.528 -8.374 363 2HE2 GLN 50 2HE2 GLN 50 18.085 11.442 -8.019 364 H GLY 51 H GLY 51 11.004 11.565 -8.540 365 1HA GLY 51 2HA GLY 51 9.270 10.414 -9.684 366 2HA GLY 51 1HA GLY 51 10.439 9.917 -10.896 367 H VAL 52 H VAL 52 10.521 9.612 -7.346 368 HA VAL 52 HA VAL 52 11.392 6.880 -7.547 369 HB VAL 52 HB VAL 52 10.431 8.324 -5.068 370 1HG1 VAL 52 1HG1 VAL 52 11.865 6.716 -3.893 371 2HG1 VAL 52 2HG1 VAL 52 12.234 5.933 -5.431 372 3HG1 VAL 52 3HG1 VAL 52 10.584 5.918 -4.806 373 1HG2 VAL 52 1HG2 VAL 52 12.785 8.868 -4.652 374 2HG2 VAL 52 2HG2 VAL 52 12.191 9.620 -6.132 375 3HG2 VAL 52 3HG2 VAL 52 13.216 8.186 -6.221 376 H GLY 53 H GLY 53 8.443 8.522 -6.456 377 1HA GLY 53 2HA GLY 53 6.950 6.189 -5.901 378 2HA GLY 53 1HA GLY 53 6.279 7.782 -6.225 379 H LYS 54 H LYS 54 7.674 7.849 -8.851 380 HA LYS 54 HA LYS 54 5.592 6.762 -10.432 381 1HB LYS 54 2HB LYS 54 8.309 7.834 -11.198 382 2HB LYS 54 1HB LYS 54 7.069 7.377 -12.358 383 1HG LYS 54 2HG LYS 54 5.566 9.060 -11.383 384 2HG LYS 54 1HG LYS 54 6.857 9.547 -10.283 385 1HD LYS 54 2HD LYS 54 8.229 10.270 -12.109 386 2HD LYS 54 1HD LYS 54 7.105 9.587 -13.287 387 1HE LYS 54 2HE LYS 54 6.496 11.854 -11.393 388 2HE LYS 54 1HE LYS 54 6.888 12.028 -13.101 389 1HZ LYS 54 1HZ LYS 54 4.560 12.110 -12.954 390 2HZ LYS 54 2HZ LYS 54 4.482 10.786 -11.902 391 3HZ LYS 54 3HZ LYS 54 4.906 10.550 -13.524 392 H LYS 55 H LYS 55 8.853 5.698 -9.626 393 HA LYS 55 HA LYS 55 9.013 3.493 -11.352 394 1HB LYS 55 2HB LYS 55 10.188 3.771 -8.574 395 2HB LYS 55 1HB LYS 55 10.703 2.622 -9.800 396 1HG LYS 55 2HG LYS 55 11.455 4.435 -11.224 397 2HG LYS 55 1HG LYS 55 10.880 5.617 -10.049 398 1HD LYS 55 2HD LYS 55 13.110 5.530 -9.509 399 2HD LYS 55 1HD LYS 55 12.464 4.309 -8.417 400 1HE LYS 55 2HE LYS 55 13.629 3.686 -11.125 401 2HE LYS 55 1HE LYS 55 14.566 3.668 -9.636 402 1HZ LYS 55 1HZ LYS 55 13.890 1.458 -10.131 403 2HZ LYS 55 2HZ LYS 55 12.270 1.918 -10.334 404 3HZ LYS 55 3HZ LYS 55 12.982 1.973 -8.794 405 H LEU 56 H LEU 56 7.819 3.780 -8.028 406 HA LEU 56 HA LEU 56 7.088 1.125 -7.586 407 1HB LEU 56 2HB LEU 56 5.845 3.676 -6.571 408 2HB LEU 56 1HB LEU 56 5.395 2.083 -5.994 409 HG LEU 56 HG LEU 56 8.135 3.326 -5.746 410 1HD1 LEU 56 1HD1 LEU 56 5.962 2.832 -3.714 411 2HD1 LEU 56 2HD1 LEU 56 6.479 4.402 -4.331 412 3HD1 LEU 56 3HD1 LEU 56 7.584 3.429 -3.362 413 1HD2 LEU 56 1HD2 LEU 56 7.037 0.734 -4.650 414 2HD2 LEU 56 2HD2 LEU 56 8.636 1.402 -4.327 415 3HD2 LEU 56 3HD2 LEU 56 8.211 0.882 -5.957 416 H LEU 57 H LEU 57 4.942 3.789 -8.584 417 HA LEU 57 HA LEU 57 2.676 2.184 -8.925 418 1HB LEU 57 2HB LEU 57 3.444 4.920 -9.825 419 2HB LEU 57 1HB LEU 57 2.013 4.183 -10.516 420 HG LEU 57 HG LEU 57 1.076 3.916 -8.237 421 1HD1 LEU 57 1HD1 LEU 57 2.105 5.139 -6.374 422 2HD1 LEU 57 2HD1 LEU 57 3.506 5.481 -7.388 423 3HD1 LEU 57 3HD1 LEU 57 3.120 3.819 -6.948 424 1HD2 LEU 57 1HD2 LEU 57 1.883 6.721 -8.982 425 2HD2 LEU 57 2HD2 LEU 57 0.576 6.286 -7.882 426 3HD2 LEU 57 3HD2 LEU 57 0.477 5.843 -9.586 427 H LYS 58 H LYS 58 5.270 2.983 -11.147 428 HA LYS 58 HA LYS 58 4.106 2.196 -13.550 429 1HB LYS 58 2HB LYS 58 6.333 3.300 -13.305 430 2HB LYS 58 1HB LYS 58 6.985 1.773 -12.727 431 1HG LYS 58 2HG LYS 58 6.426 0.730 -14.875 432 2HG LYS 58 1HG LYS 58 5.808 2.278 -15.453 433 1HD LYS 58 2HD LYS 58 8.025 2.039 -16.295 434 2HD LYS 58 1HD LYS 58 8.080 3.247 -15.008 435 1HE LYS 58 2HE LYS 58 9.951 1.857 -14.666 436 2HE LYS 58 1HE LYS 58 8.763 1.370 -13.459 437 1HZ LYS 58 1HZ LYS 58 9.734 -0.568 -14.443 438 2HZ LYS 58 2HZ LYS 58 9.383 -0.027 -16.006 439 3HZ LYS 58 3HZ LYS 58 8.120 -0.469 -14.960 440 H ALA 59 H ALA 59 6.104 0.236 -11.335 441 HA ALA 59 HA ALA 59 5.847 -2.156 -12.806 442 1HB ALA 59 1HB ALA 59 6.496 -1.814 -9.882 443 2HB ALA 59 2HB ALA 59 7.656 -1.782 -11.210 444 3HB ALA 59 3HB ALA 59 6.775 -3.266 -10.844 445 H VAL 60 H VAL 60 3.949 -0.801 -10.159 446 HA VAL 60 HA VAL 60 2.375 -3.078 -9.643 447 HB VAL 60 HB VAL 60 1.623 -0.163 -9.320 448 1HG1 VAL 60 1HG1 VAL 60 0.369 -2.633 -8.120 449 2HG1 VAL 60 2HG1 VAL 60 -0.352 -1.594 -9.349 450 3HG1 VAL 60 3HG1 VAL 60 -0.058 -0.967 -7.728 451 1HG2 VAL 60 1HG2 VAL 60 3.611 -0.769 -8.048 452 2HG2 VAL 60 2HG2 VAL 60 2.759 -2.147 -7.349 453 3HG2 VAL 60 3HG2 VAL 60 2.240 -0.504 -6.970 454 H VAL 61 H VAL 61 1.876 -0.316 -11.821 455 HA VAL 61 HA VAL 61 -0.594 -1.253 -12.854 456 HB VAL 61 HB VAL 61 1.393 0.700 -14.029 457 1HG1 VAL 61 1HG1 VAL 61 -0.418 1.432 -15.500 458 2HG1 VAL 61 2HG1 VAL 61 -1.444 0.136 -14.887 459 3HG1 VAL 61 3HG1 VAL 61 0.012 -0.252 -15.804 460 1HG2 VAL 61 1HG2 VAL 61 0.430 1.420 -11.918 461 2HG2 VAL 61 2HG2 VAL 61 -1.192 1.104 -12.532 462 3HG2 VAL 61 3HG2 VAL 61 -0.215 2.384 -13.247 463 H GLU 62 H GLU 62 2.772 -1.643 -13.908 464 HA GLU 62 HA GLU 62 2.283 -2.988 -16.315 465 1HB GLU 62 2HB GLU 62 4.561 -3.281 -14.350 466 2HB GLU 62 1HB GLU 62 4.547 -4.020 -15.945 467 1HG GLU 62 2HG GLU 62 4.442 -1.829 -16.983 468 2HG GLU 62 1HG GLU 62 4.384 -1.066 -15.395 469 H HIS 63 H HIS 63 2.654 -4.269 -13.017 470 HA HIS 63 HA HIS 63 2.260 -6.987 -13.737 471 1HB HIS 63 2HB HIS 63 3.300 -6.139 -11.594 472 2HB HIS 63 1HB HIS 63 1.677 -5.737 -11.047 473 HD1 HIS 63 HD1 HIS 63 3.489 -8.817 -12.366 474 HD2 HIS 63 HD2 HIS 63 0.567 -7.745 -9.603 475 HE1 HIS 63 HE1 HIS 63 2.865 -10.943 -11.176 476 HE2 HIS 63 HE2 HIS 63 1.274 -10.227 -9.354 477 H ALA 64 H ALA 64 0.087 -4.369 -12.880 478 HA ALA 64 HA ALA 64 -2.274 -5.925 -12.676 479 1HB ALA 64 1HB ALA 64 -2.143 -3.653 -11.802 480 2HB ALA 64 2HB ALA 64 -3.462 -3.805 -12.963 481 3HB ALA 64 3HB ALA 64 -1.953 -3.023 -13.438 482 H ARG 65 H ARG 65 -0.722 -4.216 -15.362 483 HA ARG 65 HA ARG 65 -2.661 -4.810 -17.329 484 1HB ARG 65 2HB ARG 65 0.297 -4.224 -17.549 485 2HB ARG 65 1HB ARG 65 -0.775 -4.363 -18.936 486 1HG ARG 65 2HG ARG 65 -1.324 -2.415 -16.728 487 2HG ARG 65 1HG ARG 65 -0.230 -2.027 -18.058 488 1HD ARG 65 2HD ARG 65 -3.085 -2.927 -18.399 489 2HD ARG 65 1HD ARG 65 -2.564 -1.243 -18.404 490 HE ARG 65 HE ARG 65 -1.048 -2.670 -20.293 491 1HH1 ARG 65 2HH1 ARG 65 -4.305 -1.458 -19.800 492 2HH1 ARG 65 1HH1 ARG 65 -4.662 -1.367 -21.499 493 1HH2 ARG 65 1HH2 ARG 65 -1.518 -2.526 -22.530 494 2HH2 ARG 65 2HH2 ARG 65 -3.080 -1.979 -23.044 495 H GLU 66 H GLU 66 0.099 -6.545 -16.079 496 HA GLU 66 HA GLU 66 0.210 -8.611 -17.999 497 1HB GLU 66 2HB GLU 66 2.066 -8.235 -16.522 498 2HB GLU 66 1HB GLU 66 1.059 -8.478 -15.104 499 1HG GLU 66 2HG GLU 66 0.701 -10.845 -16.248 500 2HG GLU 66 1HG GLU 66 2.278 -10.455 -16.934 501 H ASN 67 H ASN 67 -1.355 -8.426 -14.821 502 HA ASN 67 HA ASN 67 -2.466 -11.097 -15.193 503 1HB ASN 67 2HB ASN 67 -1.470 -9.668 -12.989 504 2HB ASN 67 1HB ASN 67 -3.200 -9.832 -12.711 505 1HD2 ASN 67 1HD2 ASN 67 -0.171 -11.492 -13.038 506 2HD2 ASN 67 2HD2 ASN 67 -0.738 -13.026 -12.457 507 H ASN 68 H ASN 68 -3.419 -8.181 -16.157 508 HA ASN 68 HA ASN 68 -5.383 -7.164 -16.686 509 1HB ASN 68 2HB ASN 68 -5.848 -9.450 -17.649 510 2HB ASN 68 1HB ASN 68 -6.687 -9.846 -16.150 511 1HD2 ASN 68 1HD2 ASN 68 -8.693 -10.085 -17.009 512 2HD2 ASN 68 2HD2 ASN 68 -9.601 -8.791 -17.721 513 H LEU 69 H LEU 69 -4.496 -6.845 -14.103 514 HA LEU 69 HA LEU 69 -6.695 -7.282 -12.272 515 1HB LEU 69 2HB LEU 69 -4.107 -5.791 -11.858 516 2HB LEU 69 1HB LEU 69 -5.249 -6.236 -10.607 517 HG LEU 69 HG LEU 69 -3.677 -8.184 -12.283 518 1HD1 LEU 69 1HD1 LEU 69 -3.314 -7.329 -9.420 519 2HD1 LEU 69 2HD1 LEU 69 -2.241 -6.945 -10.767 520 3HD1 LEU 69 3HD1 LEU 69 -2.425 -8.617 -10.232 521 1HD2 LEU 69 1HD2 LEU 69 -5.506 -8.608 -9.922 522 2HD2 LEU 69 2HD2 LEU 69 -4.486 -9.847 -10.653 523 3HD2 LEU 69 3HD2 LEU 69 -5.796 -9.122 -11.584 524 H LYS 70 H LYS 70 -8.127 -5.818 -11.620 525 HA LYS 70 HA LYS 70 -8.101 -3.200 -12.891 526 1HB LYS 70 2HB LYS 70 -10.176 -4.710 -11.312 527 2HB LYS 70 1HB LYS 70 -10.380 -3.016 -11.740 528 1HG LYS 70 2HG LYS 70 -10.205 -3.591 -14.111 529 2HG LYS 70 1HG LYS 70 -10.005 -5.290 -13.681 530 1HD LYS 70 2HD LYS 70 -12.403 -3.690 -12.833 531 2HD LYS 70 1HD LYS 70 -12.335 -4.535 -14.379 532 1HE LYS 70 2HE LYS 70 -12.092 -6.647 -13.297 533 2HE LYS 70 1HE LYS 70 -11.871 -5.878 -11.725 534 1HZ LYS 70 1HZ LYS 70 -14.146 -6.848 -12.240 535 2HZ LYS 70 2HZ LYS 70 -14.361 -5.522 -13.282 536 3HZ LYS 70 3HZ LYS 70 -14.099 -5.269 -11.625 537 H ILE 71 H ILE 71 -7.404 -1.440 -11.895 538 HA ILE 71 HA ILE 71 -6.438 -1.761 -9.167 539 HB ILE 71 HB ILE 71 -5.887 0.353 -11.246 540 1HG1 ILE 71 2HG1 ILE 71 -4.169 -1.844 -10.074 541 2HG1 ILE 71 1HG1 ILE 71 -4.845 -1.808 -11.700 542 1HG2 ILE 71 1HG2 ILE 71 -5.826 1.354 -9.023 543 2HG2 ILE 71 2HG2 ILE 71 -4.206 1.245 -9.710 544 3HG2 ILE 71 3HG2 ILE 71 -4.721 0.095 -8.476 545 1HD1 ILE 71 1HD1 ILE 71 -2.500 -1.219 -11.723 546 2HD1 ILE 71 2HD1 ILE 71 -2.798 0.096 -10.587 547 3HD1 ILE 71 3HD1 ILE 71 -3.486 0.159 -12.210 548 H ILE 72 H ILE 72 -7.774 -1.213 -7.599 549 HA ILE 72 HA ILE 72 -9.092 1.416 -7.792 550 HB ILE 72 HB ILE 72 -10.562 0.679 -5.932 551 1HG1 ILE 72 2HG1 ILE 72 -9.381 -2.059 -6.449 552 2HG1 ILE 72 1HG1 ILE 72 -9.080 -1.080 -5.016 553 1HG2 ILE 72 1HG2 ILE 72 -10.664 -1.042 -8.405 554 2HG2 ILE 72 2HG2 ILE 72 -11.361 0.568 -8.215 555 3HG2 ILE 72 3HG2 ILE 72 -11.998 -0.783 -7.280 556 1HD1 ILE 72 1HD1 ILE 72 -10.714 -2.792 -4.547 557 2HD1 ILE 72 2HD1 ILE 72 -11.726 -2.222 -5.873 558 3HD1 ILE 72 3HD1 ILE 72 -11.467 -1.198 -4.461 559 H ALA 73 H ALA 73 -9.084 2.635 -5.670 560 HA ALA 73 HA ALA 73 -6.604 2.009 -4.201 561 1HB ALA 73 1HB ALA 73 -7.426 4.753 -5.127 562 2HB ALA 73 2HB ALA 73 -6.178 3.752 -5.871 563 3HB ALA 73 3HB ALA 73 -5.969 4.341 -4.222 564 H SER 74 H SER 74 -6.657 2.222 -2.054 565 HA SER 74 HA SER 74 -9.116 3.145 -0.798 566 1HB SER 74 2HB SER 74 -6.631 1.863 0.375 567 2HB SER 74 1HB SER 74 -8.097 2.241 1.279 568 HG SER 74 HG SER 74 -8.832 0.397 0.632 569 H CYS 75 H CYS 75 -5.610 3.773 -0.565 570 HA CYS 75 HA CYS 75 -5.900 6.096 1.036 571 1HB CYS 75 2HB CYS 75 -3.623 4.981 -0.578 572 2HB CYS 75 1HB CYS 75 -3.498 6.543 0.224 573 HG CYS 75 HG CYS 75 -3.758 3.455 1.651 574 H SER 76 H SER 76 -6.560 8.030 0.490 575 HA SER 76 HA SER 76 -7.354 8.715 -2.111 576 1HB SER 76 2HB SER 76 -8.280 9.698 -0.007 577 2HB SER 76 1HB SER 76 -6.786 10.615 0.178 578 HG SER 76 HG SER 76 -8.169 11.968 -0.859 579 H PHE 77 H PHE 77 -4.348 9.180 -0.420 580 HA PHE 77 HA PHE 77 -3.141 11.135 -2.001 581 1HB PHE 77 2HB PHE 77 -2.154 10.356 0.089 582 2HB PHE 77 1HB PHE 77 -1.910 8.753 -0.592 583 HD1 PHE 77 HD1 PHE 77 -0.939 12.310 -1.091 584 HD2 PHE 77 HD2 PHE 77 0.116 8.216 -1.570 585 HE1 PHE 77 HE1 PHE 77 1.304 12.981 -1.845 586 HE2 PHE 77 HE2 PHE 77 2.361 8.879 -2.328 587 HZ PHE 77 HZ PHE 77 2.957 11.264 -2.462 588 H ALA 78 H ALA 78 -2.900 7.591 -2.306 589 HA ALA 78 HA ALA 78 -1.476 7.687 -4.761 590 1HB ALA 78 1HB ALA 78 -3.031 5.422 -3.521 591 2HB ALA 78 2HB ALA 78 -1.323 5.775 -3.260 592 3HB ALA 78 3HB ALA 78 -1.885 5.276 -4.855 593 H LYS 79 H LYS 79 -4.873 7.460 -3.912 594 HA LYS 79 HA LYS 79 -5.871 6.735 -6.441 595 1HB LYS 79 2HB LYS 79 -7.073 6.782 -4.162 596 2HB LYS 79 1HB LYS 79 -7.350 8.487 -4.489 597 1HG LYS 79 2HG LYS 79 -8.619 7.966 -6.460 598 2HG LYS 79 1HG LYS 79 -8.219 6.253 -6.314 599 1HD LYS 79 2HD LYS 79 -9.390 6.245 -4.110 600 2HD LYS 79 1HD LYS 79 -9.908 7.901 -4.439 601 1HE LYS 79 2HE LYS 79 -11.062 7.140 -6.456 602 2HE LYS 79 1HE LYS 79 -10.533 5.487 -6.140 603 1HZ LYS 79 1HZ LYS 79 -11.758 5.622 -4.007 604 2HZ LYS 79 2HZ LYS 79 -12.758 5.726 -5.368 605 3HZ LYS 79 3HZ LYS 79 -12.376 7.124 -4.484 606 H HIS 80 H HIS 80 -5.052 9.831 -4.998 607 HA HIS 80 HA HIS 80 -6.015 11.447 -7.127 608 1HB HIS 80 2HB HIS 80 -4.250 11.850 -4.772 609 2HB HIS 80 1HB HIS 80 -4.092 13.003 -6.093 610 HD1 HIS 80 HD1 HIS 80 -6.423 11.914 -3.387 611 HD2 HIS 80 HD2 HIS 80 -6.304 14.676 -6.490 612 HE1 HIS 80 HE1 HIS 80 -8.336 13.490 -2.963 613 HE2 HIS 80 HE2 HIS 80 -8.356 15.033 -4.961 614 H MET 81 H MET 81 -2.983 9.784 -6.500 615 HA MET 81 HA MET 81 -1.477 11.046 -8.552 616 1HB MET 81 2HB MET 81 -1.089 8.337 -7.257 617 2HB MET 81 1HB MET 81 0.085 9.137 -8.291 618 1HG MET 81 2HG MET 81 0.286 10.950 -6.687 619 2HG MET 81 1HG MET 81 -0.924 10.187 -5.658 620 1HE MET 81 1HE MET 81 2.710 9.959 -7.120 621 2HE MET 81 2HE MET 81 1.967 8.475 -7.721 622 3HE MET 81 3HE MET 81 3.247 8.393 -6.509 623 H LEU 82 H LEU 82 -3.289 8.010 -8.414 624 HA LEU 82 HA LEU 82 -2.665 7.111 -11.011 625 1HB LEU 82 2HB LEU 82 -5.126 6.532 -9.360 626 2HB LEU 82 1HB LEU 82 -4.571 5.600 -10.736 627 HG LEU 82 HG LEU 82 -3.034 5.905 -8.155 628 1HD1 LEU 82 1HD1 LEU 82 -4.696 3.593 -9.144 629 2HD1 LEU 82 2HD1 LEU 82 -5.123 4.677 -7.820 630 3HD1 LEU 82 3HD1 LEU 82 -3.717 3.621 -7.678 631 1HD2 LEU 82 1HD2 LEU 82 -2.630 4.098 -10.536 632 2HD2 LEU 82 2HD2 LEU 82 -1.703 4.047 -9.037 633 3HD2 LEU 82 3HD2 LEU 82 -1.615 5.467 -10.080 634 H GLU 83 H GLU 83 -5.045 9.324 -9.795 635 HA GLU 83 HA GLU 83 -6.608 9.347 -12.228 636 1HB GLU 83 2HB GLU 83 -7.565 9.541 -9.912 637 2HB GLU 83 1HB GLU 83 -6.806 11.118 -9.783 638 1HG GLU 83 2HG GLU 83 -8.692 10.540 -12.019 639 2HG GLU 83 1HG GLU 83 -9.307 10.925 -10.414 640 H LYS 84 H LYS 84 -4.067 11.203 -10.741 641 HA LYS 84 HA LYS 84 -4.547 13.676 -12.003 642 1HB LYS 84 2HB LYS 84 -3.145 13.322 -9.964 643 2HB LYS 84 1HB LYS 84 -1.894 12.648 -10.996 644 1HG LYS 84 2HG LYS 84 -1.599 14.744 -12.117 645 2HG LYS 84 1HG LYS 84 -3.001 15.431 -11.295 646 1HD LYS 84 2HD LYS 84 -1.817 15.092 -9.128 647 2HD LYS 84 1HD LYS 84 -0.389 14.591 -10.040 648 1HE LYS 84 2HE LYS 84 -0.241 16.753 -11.087 649 2HE LYS 84 1HE LYS 84 -1.772 17.252 -10.364 650 1HZ LYS 84 1HZ LYS 84 -0.058 18.198 -9.068 651 2HZ LYS 84 2HZ LYS 84 0.805 16.743 -8.982 652 3HZ LYS 84 3HZ LYS 84 -0.669 16.906 -8.156 653 H GLU 85 H GLU 85 -2.254 11.066 -12.850 654 HA GLU 85 HA GLU 85 -1.922 12.419 -15.435 655 1HB GLU 85 2HB GLU 85 0.152 11.096 -15.701 656 2HB GLU 85 1HB GLU 85 0.188 12.192 -14.332 657 1HG GLU 85 2HG GLU 85 -0.264 10.320 -12.825 658 2HG GLU 85 1HG GLU 85 -0.287 9.224 -14.209 659 H ASP 86 H ASP 86 -1.773 11.098 -17.351 660 HA ASP 86 HA ASP 86 -4.093 9.392 -17.371 661 1HB ASP 86 2HB ASP 86 -2.282 10.312 -19.612 662 2HB ASP 86 1HB ASP 86 -3.795 9.438 -19.833 663 H SER 87 H SER 87 -0.873 8.787 -16.868 664 HA SER 87 HA SER 87 -0.399 6.580 -18.572 665 1HB SER 87 2HB SER 87 1.519 6.144 -17.015 666 2HB SER 87 1HB SER 87 1.452 7.806 -17.607 667 HG SER 87 HG SER 87 1.583 8.232 -15.527 668 H TYR 88 H TYR 88 -1.285 6.761 -15.128 669 HA TYR 88 HA TYR 88 -1.542 3.859 -15.026 670 1HB TYR 88 2HB TYR 88 -1.988 5.805 -12.765 671 2HB TYR 88 1HB TYR 88 -1.607 4.091 -12.656 672 HD1 TYR 88 HD1 TYR 88 0.706 3.620 -14.200 673 HD2 TYR 88 HD2 TYR 88 -0.274 7.125 -11.997 674 HE1 TYR 88 HE1 TYR 88 3.096 4.175 -14.025 675 HE2 TYR 88 HE2 TYR 88 2.112 7.687 -11.819 676 HH TYR 88 HH TYR 88 4.288 6.496 -11.899 677 H GLN 89 H GLN 89 -3.489 6.423 -15.762 678 HA GLN 89 HA GLN 89 -5.847 5.812 -14.303 679 1HB GLN 89 2HB GLN 89 -5.391 8.052 -15.179 680 2HB GLN 89 1HB GLN 89 -5.462 7.437 -16.824 681 1HG GLN 89 2HG GLN 89 -7.807 6.931 -16.575 682 2HG GLN 89 1HG GLN 89 -7.760 7.416 -14.879 683 1HE2 GLN 89 1HE2 GLN 89 -7.647 9.588 -14.361 684 2HE2 GLN 89 2HE2 GLN 89 -8.003 10.832 -15.506 685 H ASP 90 H ASP 90 -4.400 4.357 -16.987 686 HA ASP 90 HA ASP 90 -6.531 3.699 -18.656 687 1HB ASP 90 2HB ASP 90 -4.121 3.352 -19.185 688 2HB ASP 90 1HB ASP 90 -4.113 1.974 -18.087 689 H VAL 91 H VAL 91 -5.131 1.702 -16.054 690 HA VAL 91 HA VAL 91 -7.520 -0.003 -16.164 691 HB VAL 91 HB VAL 91 -6.168 -1.589 -14.755 692 1HG1 VAL 91 1HG1 VAL 91 -4.781 -2.378 -16.614 693 2HG1 VAL 91 2HG1 VAL 91 -5.017 -0.838 -17.440 694 3HG1 VAL 91 3HG1 VAL 91 -6.392 -1.907 -17.158 695 1HG2 VAL 91 1HG2 VAL 91 -3.932 0.326 -15.415 696 2HG2 VAL 91 2HG2 VAL 91 -3.733 -1.272 -14.696 697 3HG2 VAL 91 3HG2 VAL 91 -4.585 -0.006 -13.811 698 H TYR 92 H TYR 92 -6.949 2.680 -14.741 699 HA TYR 92 HA TYR 92 -7.347 1.998 -11.958 700 1HB TYR 92 2HB TYR 92 -5.977 3.882 -12.246 701 2HB TYR 92 1HB TYR 92 -7.007 4.559 -13.500 702 HD1 TYR 92 HD1 TYR 92 -8.279 6.383 -12.944 703 HD2 TYR 92 HD2 TYR 92 -7.220 3.639 -9.868 704 HE1 TYR 92 HE1 TYR 92 -9.382 7.824 -11.289 705 HE2 TYR 92 HE2 TYR 92 -8.320 5.078 -8.203 706 HH TYR 92 HH TYR 92 -10.320 7.739 -9.122 707 H LEU 93 H LEU 93 -9.244 1.764 -11.004 708 HA LEU 93 HA LEU 93 -11.652 2.626 -12.445 709 1HB LEU 93 2HB LEU 93 -11.310 0.608 -10.228 710 2HB LEU 93 1HB LEU 93 -12.859 1.096 -10.886 711 HG LEU 93 HG LEU 93 -10.664 -0.359 -12.362 712 1HD1 LEU 93 1HD1 LEU 93 -11.894 -1.744 -10.776 713 2HD1 LEU 93 2HD1 LEU 93 -12.288 -2.183 -12.438 714 3HD1 LEU 93 3HD1 LEU 93 -13.419 -1.218 -11.487 715 1HD2 LEU 93 1HD2 LEU 93 -11.819 1.195 -13.850 716 2HD2 LEU 93 2HD2 LEU 93 -13.375 0.552 -13.328 717 3HD2 LEU 93 3HD2 LEU 93 -12.256 -0.473 -14.223 718 H GLY 94 H GLY 94 -11.849 4.712 -11.861 719 1HA GLY 94 2HA GLY 94 -12.210 5.243 -8.976 720 2HA GLY 94 1HA GLY 94 -11.801 6.467 -10.176 721 H LEU 95 H LEU 95 -13.519 6.025 -12.177 722 HA LEU 95 HA LEU 95 -16.196 6.114 -10.970 723 1HB LEU 95 2HB LEU 95 -15.099 7.977 -13.082 724 2HB LEU 95 1HB LEU 95 -16.797 7.858 -12.667 725 HG LEU 95 HG LEU 95 -15.976 8.459 -10.259 726 1HD1 LEU 95 1HD1 LEU 95 -13.589 8.287 -10.718 727 2HD1 LEU 95 2HD1 LEU 95 -14.024 9.929 -10.244 728 3HD1 LEU 95 3HD1 LEU 95 -13.724 9.552 -11.940 729 1HD2 LEU 95 1HD2 LEU 95 -16.239 10.836 -10.781 730 2HD2 LEU 95 2HD2 LEU 95 -17.443 9.846 -11.608 731 3HD2 LEU 95 3HD2 LEU 95 -16.056 10.476 -12.497 732 H GLU 96 H GLU 96 -17.913 5.824 -12.641 733 HA GLU 96 HA GLU 96 -17.084 3.791 -14.602 734 1HB GLU 96 2HB GLU 96 -18.923 3.567 -12.647 735 2HB GLU 96 1HB GLU 96 -19.949 4.268 -13.887 736 1HG GLU 96 2HG GLU 96 -18.303 1.939 -14.674 737 2HG GLU 96 1HG GLU 96 -19.633 1.640 -13.557 738 H HIS 97 H HIS 97 -19.278 3.976 -16.352 739 HA HIS 97 HA HIS 97 -18.875 6.350 -17.833 740 1HB HIS 97 2HB HIS 97 -19.895 4.161 -18.658 741 2HB HIS 97 1HB HIS 97 -21.379 4.642 -17.849 742 HD1 HIS 97 HD1 HIS 97 -19.315 5.274 -20.861 743 HD2 HIS 97 HD2 HIS 97 -22.778 6.759 -19.103 744 HE1 HIS 97 HE1 HIS 97 -20.456 6.626 -22.650 745 HE2 HIS 97 HE2 HIS 97 -22.630 7.376 -21.619 746 H HIS 98 H HIS 98 -19.114 8.206 -16.689 747 HA HIS 98 HA HIS 98 -20.819 8.366 -14.445 748 1HB HIS 98 2HB HIS 98 -18.627 9.595 -14.781 749 2HB HIS 98 1HB HIS 98 -19.516 10.720 -15.804 750 HD1 HIS 98 HD1 HIS 98 -19.958 12.790 -14.504 751 HD2 HIS 98 HD2 HIS 98 -20.335 9.368 -12.165 752 HE1 HIS 98 HE1 HIS 98 -20.672 13.593 -12.229 753 HE2 HIS 98 HE2 HIS 98 -20.846 11.513 -10.811 754 H HIS 99 H HIS 99 -21.274 9.291 -17.785 755 HA HIS 99 HA HIS 99 -23.588 10.903 -17.234 756 1HB HIS 99 2HB HIS 99 -22.359 11.193 -19.351 757 2HB HIS 99 1HB HIS 99 -22.763 9.545 -19.818 758 HD1 HIS 99 HD1 HIS 99 -24.989 9.182 -20.954 759 HD2 HIS 99 HD2 HIS 99 -24.646 12.970 -19.270 760 HE1 HIS 99 HE1 HIS 99 -27.021 10.448 -21.717 761 HE2 HIS 99 HE2 HIS 99 -26.857 12.694 -20.585 762 H HIS 100 H HIS 100 -25.139 9.912 -16.100 763 HA HIS 100 HA HIS 100 -25.826 7.174 -16.388 764 1HB HIS 100 2HB HIS 100 -27.190 9.513 -15.068 765 2HB HIS 100 1HB HIS 100 -27.934 7.918 -15.117 766 HD1 HIS 100 HD1 HIS 100 -27.306 6.349 -13.301 767 HD2 HIS 100 HD2 HIS 100 -24.593 9.483 -13.668 768 HE1 HIS 100 HE1 HIS 100 -25.714 6.099 -11.373 769 HE2 HIS 100 HE2 HIS 100 -23.974 7.885 -11.722 770 H HIS 101 H HIS 101 -27.827 6.315 -17.177 771 HA HIS 101 HA HIS 101 -29.341 5.934 -18.820 772 1HB HIS 101 2HB HIS 101 -30.419 8.036 -18.059 773 2HB HIS 101 1HB HIS 101 -29.402 8.945 -19.172 774 HD1 HIS 101 HD1 HIS 101 -30.277 9.254 -21.501 775 HD2 HIS 101 HD2 HIS 101 -32.281 6.259 -19.413 776 HE1 HIS 101 HE1 HIS 101 -32.200 8.563 -22.972 777 HE2 HIS 101 HE2 HIS 101 -33.364 6.707 -21.719 778 H HIS 102 HN HIS 102 -28.088 4.833 -20.225 779 HA HIS 102 HA HIS 102 -26.849 6.372 -22.375 780 1HB HIS 102 2HB HIS 102 -24.772 5.073 -22.262 781 2HB HIS 102 1HB HIS 102 -25.039 5.982 -20.784 782 HD1 HIS 102 HD1 HIS 102 -23.780 2.892 -21.775 783 HD2 HIS 102 HD2 HIS 102 -26.456 4.042 -18.806 784 HE1 HIS 102 HE1 HIS 102 -23.802 1.007 -20.115 785 HE2 HIS 102 HE2 HIS 102 -25.218 1.848 -18.211 Start of MODEL 20 1 1H MET 1 1H MET 1 26.184 4.471 -5.659 2 2H MET 1 2H MET 1 26.832 6.034 -5.777 3 3H MET 1 3H MET 1 26.432 5.171 -7.184 4 HA MET 1 HA MET 1 24.567 6.213 -5.137 5 1HB MET 1 2HB MET 1 25.372 7.923 -6.679 6 2HB MET 1 1HB MET 1 24.989 6.898 -8.055 7 1HG MET 1 2HG MET 1 22.609 7.030 -7.477 8 2HG MET 1 1HG MET 1 23.007 8.081 -6.120 9 1HE MET 1 1HE MET 1 21.271 9.896 -6.990 10 2HE MET 1 2HE MET 1 20.861 8.814 -8.321 11 3HE MET 1 3HE MET 1 21.245 10.504 -8.646 12 H SER 2 H SER 2 22.927 4.881 -4.795 13 HA SER 2 HA SER 2 22.275 2.795 -6.660 14 1HB SER 2 2HB SER 2 20.864 3.674 -4.125 15 2HB SER 2 1HB SER 2 20.563 2.172 -5.002 16 HG SER 2 HG SER 2 22.186 2.346 -3.080 17 H ASN 3 H ASN 3 19.990 2.480 -7.388 18 HA ASN 3 HA ASN 3 19.223 4.966 -8.746 19 1HB ASN 3 2HB ASN 3 18.363 2.124 -9.329 20 2HB ASN 3 1HB ASN 3 18.140 3.526 -10.371 21 1HD2 ASN 3 1HD2 ASN 3 20.404 1.214 -9.103 22 2HD2 ASN 3 2HD2 ASN 3 21.662 1.516 -10.260 23 H LEU 4 H LEU 4 18.425 3.895 -5.951 24 HA LEU 4 HA LEU 4 16.611 3.725 -4.602 25 1HB LEU 4 2HB LEU 4 15.242 5.230 -6.842 26 2HB LEU 4 1HB LEU 4 14.555 4.955 -5.252 27 HG LEU 4 HG LEU 4 17.037 6.572 -5.840 28 1HD1 LEU 4 1HD1 LEU 4 14.965 7.654 -6.568 29 2HD1 LEU 4 2HD1 LEU 4 15.695 8.486 -5.195 30 3HD1 LEU 4 3HD1 LEU 4 14.292 7.444 -4.951 31 1HD2 LEU 4 1HD2 LEU 4 15.579 6.106 -3.240 32 2HD2 LEU 4 2HD2 LEU 4 16.951 7.187 -3.481 33 3HD2 LEU 4 3HD2 LEU 4 17.156 5.446 -3.672 34 H GLU 5 H GLU 5 17.126 1.475 -5.544 35 HA GLU 5 HA GLU 5 15.536 0.288 -7.506 36 1HB GLU 5 2HB GLU 5 16.991 -0.958 -5.171 37 2HB GLU 5 1HB GLU 5 16.288 -1.867 -6.497 38 1HG GLU 5 2HG GLU 5 18.593 -1.706 -6.934 39 2HG GLU 5 1HG GLU 5 17.797 -0.593 -8.043 40 H ILE 6 H ILE 6 13.568 -0.530 -7.527 41 HA ILE 6 HA ILE 6 11.872 -0.488 -5.222 42 HB ILE 6 HB ILE 6 11.409 -1.775 -7.922 43 1HG1 ILE 6 2HG1 ILE 6 10.549 0.928 -6.866 44 2HG1 ILE 6 1HG1 ILE 6 11.801 0.653 -8.074 45 1HG2 ILE 6 1HG2 ILE 6 9.453 -1.048 -5.745 46 2HG2 ILE 6 2HG2 ILE 6 9.974 -2.681 -6.158 47 3HG2 ILE 6 3HG2 ILE 6 9.044 -1.730 -7.319 48 1HD1 ILE 6 1HD1 ILE 6 10.118 -0.281 -9.588 49 2HD1 ILE 6 2HD1 ILE 6 9.739 1.375 -9.116 50 3HD1 ILE 6 3HD1 ILE 6 8.870 0.026 -8.380 51 H LYS 7 H LYS 7 12.199 -1.929 -3.648 52 HA LYS 7 HA LYS 7 13.359 -4.515 -4.255 53 1HB LYS 7 2HB LYS 7 12.548 -3.324 -1.596 54 2HB LYS 7 1HB LYS 7 13.481 -4.797 -1.825 55 1HG LYS 7 2HG LYS 7 14.357 -2.050 -2.689 56 2HG LYS 7 1HG LYS 7 14.864 -2.861 -1.206 57 1HD LYS 7 2HD LYS 7 15.978 -4.577 -2.434 58 2HD LYS 7 1HD LYS 7 15.289 -4.019 -3.960 59 1HE LYS 7 2HE LYS 7 17.640 -3.354 -3.705 60 2HE LYS 7 1HE LYS 7 16.563 -1.963 -3.818 61 1HZ LYS 7 1HZ LYS 7 18.188 -1.629 -2.094 62 2HZ LYS 7 2HZ LYS 7 17.736 -3.073 -1.325 63 3HZ LYS 7 3HZ LYS 7 16.651 -1.773 -1.394 64 H GLN 8 H GLN 8 12.325 -6.391 -4.293 65 HA GLN 8 HA GLN 8 9.502 -6.448 -4.484 66 1HB GLN 8 2HB GLN 8 11.657 -8.528 -4.519 67 2HB GLN 8 1HB GLN 8 9.980 -9.027 -4.386 68 1HG GLN 8 2HG GLN 8 10.857 -9.071 -6.693 69 2HG GLN 8 1HG GLN 8 9.447 -8.036 -6.494 70 1HE2 GLN 8 1HE2 GLN 8 12.890 -8.126 -7.007 71 2HE2 GLN 8 2HE2 GLN 8 13.044 -6.500 -7.585 72 H GLY 9 H GLY 9 7.967 -7.109 -3.111 73 1HA GLY 9 2HA GLY 9 8.675 -8.394 -0.602 74 2HA GLY 9 1HA GLY 9 7.930 -6.804 -0.476 75 H GLU 10 H GLU 10 6.723 -9.037 0.616 76 HA GLU 10 HA GLU 10 4.921 -10.338 -1.128 77 1HB GLU 10 2HB GLU 10 5.682 -11.137 1.137 78 2HB GLU 10 1HB GLU 10 4.617 -9.940 1.850 79 1HG GLU 10 2HG GLU 10 3.511 -11.948 -0.059 80 2HG GLU 10 1HG GLU 10 3.851 -12.410 1.608 81 H ASN 11 H ASN 11 3.806 -8.934 -2.370 82 HA ASN 11 HA ASN 11 2.157 -7.560 -3.036 83 1HB ASN 11 2HB ASN 11 1.111 -8.466 -0.382 84 2HB ASN 11 1HB ASN 11 0.217 -7.280 -1.334 85 1HD2 ASN 11 1HD2 ASN 11 -0.254 -10.155 -0.590 86 2HD2 ASN 11 2HD2 ASN 11 -0.607 -10.932 -2.094 87 H LYS 12 H LYS 12 4.493 -6.499 -1.443 88 HA LYS 12 HA LYS 12 3.480 -3.784 -1.521 89 1HB LYS 12 2HB LYS 12 4.477 -3.117 0.601 90 2HB LYS 12 1HB LYS 12 3.246 -4.343 0.849 91 1HG LYS 12 2HG LYS 12 4.940 -6.030 1.202 92 2HG LYS 12 1HG LYS 12 6.216 -4.872 0.818 93 1HD LYS 12 2HD LYS 12 5.571 -3.514 2.745 94 2HD LYS 12 1HD LYS 12 4.275 -4.648 3.119 95 1HE LYS 12 2HE LYS 12 6.157 -5.053 4.575 96 2HE LYS 12 1HE LYS 12 5.957 -6.414 3.473 97 1HZ LYS 12 1HZ LYS 12 8.293 -5.681 3.786 98 2HZ LYS 12 2HZ LYS 12 7.906 -4.211 3.045 99 3HZ LYS 12 3HZ LYS 12 7.783 -5.653 2.172 100 H PHE 13 H PHE 13 4.819 -2.531 -2.602 101 HA PHE 13 HA PHE 13 7.573 -3.447 -3.023 102 1HB PHE 13 2HB PHE 13 5.858 -1.438 -4.493 103 2HB PHE 13 1HB PHE 13 7.586 -1.594 -4.781 104 HD1 PHE 13 HD1 PHE 13 4.756 -2.219 -6.346 105 HD2 PHE 13 HD2 PHE 13 8.037 -4.437 -4.795 106 HE1 PHE 13 HE1 PHE 13 4.319 -4.004 -7.982 107 HE2 PHE 13 HE2 PHE 13 7.609 -6.229 -6.423 108 HZ PHE 13 HZ PHE 13 5.747 -6.013 -8.021 109 H TYR 14 H TYR 14 9.321 -2.240 -2.349 110 HA TYR 14 HA TYR 14 8.742 0.327 -1.080 111 1HB TYR 14 2HB TYR 14 10.189 -0.388 0.893 112 2HB TYR 14 1HB TYR 14 8.569 -1.063 0.810 113 HD1 TYR 14 HD1 TYR 14 12.095 -1.798 0.942 114 HD2 TYR 14 HD2 TYR 14 8.280 -3.428 0.002 115 HE1 TYR 14 HE1 TYR 14 13.021 -4.069 1.128 116 HE2 TYR 14 HE2 TYR 14 9.195 -5.695 0.182 117 HH TYR 14 HH TYR 14 11.367 -6.816 0.000 118 H ILE 15 H ILE 15 10.166 1.817 -1.519 119 HA ILE 15 HA ILE 15 12.717 1.086 -2.719 120 HB ILE 15 HB ILE 15 11.368 3.770 -2.361 121 1HG1 ILE 15 2HG1 ILE 15 11.958 2.101 -4.818 122 2HG1 ILE 15 1HG1 ILE 15 10.375 2.329 -4.082 123 1HG2 ILE 15 1HG2 ILE 15 13.774 4.049 -2.188 124 2HG2 ILE 15 2HG2 ILE 15 13.190 4.689 -3.724 125 3HG2 ILE 15 3HG2 ILE 15 14.005 3.128 -3.672 126 1HD1 ILE 15 1HD1 ILE 15 10.632 3.700 -6.058 127 2HD1 ILE 15 2HD1 ILE 15 12.058 4.470 -5.362 128 3HD1 ILE 15 3HD1 ILE 15 10.475 4.709 -4.618 129 H GLY 16 H GLY 16 14.305 0.676 -1.400 130 1HA GLY 16 2HA GLY 16 15.435 2.487 0.373 131 2HA GLY 16 1HA GLY 16 14.398 1.425 1.321 132 H ASP 17 H ASP 17 17.156 1.507 1.692 133 HA ASP 17 HA ASP 17 18.338 -0.707 0.263 134 1HB ASP 17 2HB ASP 17 19.346 0.921 2.605 135 2HB ASP 17 1HB ASP 17 20.290 -0.300 1.756 136 H ASP 18 H ASP 18 16.429 -0.270 3.000 137 HA ASP 18 HA ASP 18 16.391 -3.090 3.571 138 1HB ASP 18 2HB ASP 18 18.315 -2.208 4.964 139 2HB ASP 18 1HB ASP 18 17.163 -1.164 5.787 140 H GLU 19 H GLU 19 14.556 -3.539 5.132 141 HA GLU 19 HA GLU 19 12.305 -1.921 4.591 142 1HB GLU 19 2HB GLU 19 12.749 -4.031 6.703 143 2HB GLU 19 1HB GLU 19 11.190 -3.285 6.377 144 1HG GLU 19 2HG GLU 19 12.456 -4.330 3.982 145 2HG GLU 19 1HG GLU 19 12.188 -5.564 5.212 146 H ASN 20 H ASN 20 14.697 -1.858 7.118 147 HA ASN 20 HA ASN 20 13.247 -0.026 8.807 148 1HB ASN 20 2HB ASN 20 16.158 -0.840 8.748 149 2HB ASN 20 1HB ASN 20 15.486 0.276 9.929 150 1HD2 ASN 20 1HD2 ASN 20 15.702 -3.003 8.880 151 2HD2 ASN 20 2HD2 ASN 20 14.975 -3.712 10.290 152 H ASN 21 H ASN 21 14.736 0.277 5.863 153 HA ASN 21 HA ASN 21 15.138 3.168 6.248 154 1HB ASN 21 2HB ASN 21 16.819 1.264 4.598 155 2HB ASN 21 1HB ASN 21 16.930 3.018 4.485 156 1HD2 ASN 21 1HD2 ASN 21 17.800 4.183 6.205 157 2HD2 ASN 21 2HD2 ASN 21 18.743 3.422 7.438 158 H ALA 22 H ALA 22 12.869 1.492 5.283 159 HA ALA 22 HA ALA 22 12.645 1.936 2.470 160 1HB ALA 22 1HB ALA 22 10.482 1.334 4.489 161 2HB ALA 22 2HB ALA 22 11.404 0.136 3.580 162 3HB ALA 22 3HB ALA 22 10.320 1.244 2.736 163 H LEU 23 H LEU 23 12.823 4.011 1.865 164 HA LEU 23 HA LEU 23 11.642 6.138 3.411 165 1HB LEU 23 2HB LEU 23 13.039 6.212 0.735 166 2HB LEU 23 1HB LEU 23 12.615 7.611 1.703 167 HG LEU 23 HG LEU 23 14.583 5.465 2.509 168 1HD1 LEU 23 1HD1 LEU 23 15.441 6.829 0.694 169 2HD1 LEU 23 2HD1 LEU 23 16.264 7.226 2.203 170 3HD1 LEU 23 3HD1 LEU 23 15.014 8.299 1.574 171 1HD2 LEU 23 1HD2 LEU 23 13.423 6.465 4.420 172 2HD2 LEU 23 2HD2 LEU 23 13.864 8.074 3.844 173 3HD2 LEU 23 3HD2 LEU 23 15.117 6.947 4.366 174 H ALA 24 H ALA 24 10.672 4.098 0.885 175 HA ALA 24 HA ALA 24 8.131 5.489 0.744 176 1HB ALA 24 1HB ALA 24 9.457 6.559 -1.035 177 2HB ALA 24 2HB ALA 24 8.086 5.652 -1.676 178 3HB ALA 24 3HB ALA 24 9.712 4.979 -1.776 179 H GLU 25 H GLU 25 6.929 3.754 1.443 180 HA GLU 25 HA GLU 25 7.199 1.337 -0.213 181 1HB GLU 25 2HB GLU 25 6.599 -0.082 1.560 182 2HB GLU 25 1HB GLU 25 7.774 1.030 2.239 183 1HG GLU 25 2HG GLU 25 4.808 1.395 2.549 184 2HG GLU 25 1HG GLU 25 5.785 0.458 3.674 185 H ILE 26 H ILE 26 5.434 0.459 -1.132 186 HA ILE 26 HA ILE 26 2.860 1.802 -0.665 187 HB ILE 26 HB ILE 26 3.782 2.737 -2.712 188 1HG1 ILE 26 2HG1 ILE 26 1.599 0.740 -3.348 189 2HG1 ILE 26 1HG1 ILE 26 1.347 2.306 -2.585 190 1HG2 ILE 26 1HG2 ILE 26 5.326 0.969 -3.321 191 2HG2 ILE 26 2HG2 ILE 26 4.253 1.343 -4.672 192 3HG2 ILE 26 3HG2 ILE 26 3.977 -0.105 -3.703 193 1HD1 ILE 26 1HD1 ILE 26 2.191 3.412 -4.596 194 2HD1 ILE 26 2HD1 ILE 26 0.800 2.385 -4.941 195 3HD1 ILE 26 3HD1 ILE 26 2.423 1.837 -5.357 196 H THR 27 H THR 27 1.192 0.460 -0.383 197 HA THR 27 HA THR 27 1.672 -2.397 -0.798 198 HB THR 27 HB THR 27 -0.399 -2.666 0.626 199 HG1 THR 27 HG1 THR 27 -1.436 -0.935 1.269 200 1HG2 THR 27 1HG2 THR 27 1.951 -1.203 1.839 201 2HG2 THR 27 2HG2 THR 27 1.823 -2.944 1.584 202 3HG2 THR 27 3HG2 THR 27 0.759 -2.143 2.740 203 H TYR 28 H TYR 28 0.406 -3.610 -2.121 204 HA TYR 28 HA TYR 28 -1.914 -2.324 -3.375 205 1HB TYR 28 2HB TYR 28 -1.301 -3.332 -5.559 206 2HB TYR 28 1HB TYR 28 -0.122 -2.150 -5.020 207 HD1 TYR 28 HD1 TYR 28 2.051 -3.031 -3.965 208 HD2 TYR 28 HD2 TYR 28 -0.646 -5.511 -6.135 209 HE1 TYR 28 HE1 TYR 28 3.842 -4.683 -4.305 210 HE2 TYR 28 HE2 TYR 28 1.136 -7.165 -6.472 211 HH TYR 28 HH TYR 28 4.144 -7.001 -4.806 212 H ARG 29 H ARG 29 -2.548 -3.707 -1.394 213 HA ARG 29 HA ARG 29 -2.247 -6.547 -1.709 214 1HB ARG 29 2HB ARG 29 -3.740 -4.950 0.372 215 2HB ARG 29 1HB ARG 29 -3.481 -6.691 0.430 216 1HG ARG 29 2HG ARG 29 -0.941 -5.745 0.077 217 2HG ARG 29 1HG ARG 29 -1.668 -4.498 1.094 218 1HD ARG 29 2HD ARG 29 -0.586 -6.291 2.401 219 2HD ARG 29 1HD ARG 29 -2.314 -6.156 2.729 220 HE ARG 29 HE ARG 29 -2.648 -8.117 1.331 221 1HH1 ARG 29 2HH1 ARG 29 0.646 -7.491 2.380 222 2HH1 ARG 29 1HH1 ARG 29 1.154 -9.145 2.155 223 1HH2 ARG 29 1HH2 ARG 29 -1.976 -10.272 1.050 224 2HH2 ARG 29 2HH2 ARG 29 -0.322 -10.715 1.380 225 H PHE 30 H PHE 30 -4.002 -8.059 -1.666 226 HA PHE 30 HA PHE 30 -5.990 -7.295 -3.623 227 1HB PHE 30 2HB PHE 30 -5.314 -9.942 -2.327 228 2HB PHE 30 1HB PHE 30 -6.576 -9.741 -3.535 229 HD1 PHE 30 HD1 PHE 30 -6.075 -9.757 -5.815 230 HD2 PHE 30 HD2 PHE 30 -2.931 -9.429 -2.967 231 HE1 PHE 30 HE1 PHE 30 -4.423 -10.114 -7.604 232 HE2 PHE 30 HE2 PHE 30 -1.275 -9.780 -4.749 233 HZ PHE 30 HZ PHE 30 -2.020 -10.122 -7.071 234 H VAL 31 H VAL 31 -7.783 -6.308 -2.898 235 HA VAL 31 HA VAL 31 -8.997 -7.104 -0.384 236 HB VAL 31 HB VAL 31 -10.843 -5.547 -1.033 237 1HG1 VAL 31 1HG1 VAL 31 -9.026 -4.775 0.362 238 2HG1 VAL 31 2HG1 VAL 31 -9.526 -3.493 -0.741 239 3HG1 VAL 31 3HG1 VAL 31 -8.055 -4.410 -1.065 240 1HG2 VAL 31 1HG2 VAL 31 -9.064 -4.946 -3.393 241 2HG2 VAL 31 2HG2 VAL 31 -10.490 -4.021 -2.924 242 3HG2 VAL 31 3HG2 VAL 31 -10.660 -5.695 -3.453 243 H ASP 32 H ASP 32 -9.034 -7.993 -3.631 244 HA ASP 32 HA ASP 32 -10.950 -10.091 -3.080 245 1HB ASP 32 2HB ASP 32 -12.157 -8.019 -4.101 246 2HB ASP 32 1HB ASP 32 -11.335 -8.474 -5.592 247 H ASN 33 H ASN 33 -11.077 -10.892 -5.889 248 HA ASN 33 HA ASN 33 -8.573 -12.298 -5.872 249 1HB ASN 33 2HB ASN 33 -10.710 -13.371 -6.538 250 2HB ASN 33 1HB ASN 33 -10.754 -12.341 -7.965 251 1HD2 ASN 33 1HD2 ASN 33 -7.863 -13.813 -6.617 252 2HD2 ASN 33 2HD2 ASN 33 -7.557 -14.874 -7.944 253 H ASN 34 H ASN 34 -10.011 -9.775 -7.893 254 HA ASN 34 HA ASN 34 -7.531 -9.717 -9.507 255 1HB ASN 34 2HB ASN 34 -10.171 -8.453 -10.262 256 2HB ASN 34 1HB ASN 34 -8.797 -8.796 -11.308 257 1HD2 ASN 34 1HD2 ASN 34 -11.578 -10.073 -9.712 258 2HD2 ASN 34 2HD2 ASN 34 -11.605 -11.608 -10.522 259 H GLU 35 H GLU 35 -9.601 -8.031 -7.404 260 HA GLU 35 HA GLU 35 -8.757 -5.391 -8.162 261 1HB GLU 35 2HB GLU 35 -10.549 -6.361 -5.924 262 2HB GLU 35 1HB GLU 35 -10.309 -4.681 -6.368 263 1HG GLU 35 2HG GLU 35 -12.381 -5.365 -7.284 264 2HG GLU 35 1HG GLU 35 -11.249 -5.215 -8.622 265 H ILE 36 H ILE 36 -6.688 -4.980 -7.637 266 HA ILE 36 HA ILE 36 -5.823 -5.438 -4.875 267 HB ILE 36 HB ILE 36 -3.595 -4.683 -5.625 268 1HG1 ILE 36 2HG1 ILE 36 -4.831 -4.611 -8.387 269 2HG1 ILE 36 1HG1 ILE 36 -4.339 -3.199 -7.458 270 1HG2 ILE 36 1HG2 ILE 36 -4.109 -7.040 -5.647 271 2HG2 ILE 36 2HG2 ILE 36 -3.066 -6.638 -7.012 272 3HG2 ILE 36 3HG2 ILE 36 -4.793 -6.903 -7.266 273 1HD1 ILE 36 1HD1 ILE 36 -2.024 -3.957 -7.528 274 2HD1 ILE 36 2HD1 ILE 36 -2.692 -3.772 -9.149 275 3HD1 ILE 36 3HD1 ILE 36 -2.515 -5.379 -8.446 276 H ASN 37 H ASN 37 -5.252 -3.723 -3.514 277 HA ASN 37 HA ASN 37 -5.993 -1.081 -4.550 278 1HB ASN 37 2HB ASN 37 -7.330 -0.521 -2.713 279 2HB ASN 37 1HB ASN 37 -7.812 -2.159 -3.112 280 1HD2 ASN 37 1HD2 ASN 37 -5.749 -3.594 -1.858 281 2HD2 ASN 37 2HD2 ASN 37 -5.891 -3.362 -0.148 282 H ILE 38 H ILE 38 -4.762 0.574 -4.001 283 HA ILE 38 HA ILE 38 -2.450 0.099 -2.316 284 HB ILE 38 HB ILE 38 -3.292 2.585 -3.825 285 1HG1 ILE 38 2HG1 ILE 38 -1.124 1.976 -5.116 286 2HG1 ILE 38 1HG1 ILE 38 -1.330 0.376 -4.413 287 1HG2 ILE 38 1HG2 ILE 38 -0.757 2.016 -2.299 288 2HG2 ILE 38 2HG2 ILE 38 -2.002 3.187 -1.865 289 3HG2 ILE 38 3HG2 ILE 38 -1.035 3.424 -3.321 290 1HD1 ILE 38 1HD1 ILE 38 -3.509 0.183 -5.490 291 2HD1 ILE 38 2HD1 ILE 38 -2.229 0.492 -6.665 292 3HD1 ILE 38 3HD1 ILE 38 -3.313 1.795 -6.180 293 H ASP 39 H ASP 39 -3.257 -0.142 -0.283 294 HA ASP 39 HA ASP 39 -5.177 1.798 0.724 295 1HB ASP 39 2HB ASP 39 -5.423 0.336 2.634 296 2HB ASP 39 1HB ASP 39 -5.519 -0.614 1.157 297 H HIS 40 H HIS 40 -1.847 1.436 0.646 298 HA HIS 40 HA HIS 40 -1.594 3.653 2.513 299 1HB HIS 40 2HB HIS 40 -1.141 1.859 4.024 300 2HB HIS 40 1HB HIS 40 -0.170 0.999 2.836 301 HD1 HIS 40 HD1 HIS 40 -0.026 3.940 5.191 302 HD2 HIS 40 HD2 HIS 40 2.504 1.690 2.774 303 HE1 HIS 40 HE1 HIS 40 2.305 4.656 5.793 304 HE2 HIS 40 HE2 HIS 40 3.812 3.425 4.185 305 H THR 41 H THR 41 -0.119 5.108 1.887 306 HA THR 41 HA THR 41 1.880 4.336 -0.125 307 HB THR 41 HB THR 41 0.295 6.901 -0.316 308 HG1 THR 41 HG1 THR 41 -0.375 4.361 -1.079 309 1HG2 THR 41 1HG2 THR 41 2.518 6.911 -1.370 310 2HG2 THR 41 2HG2 THR 41 1.234 6.995 -2.574 311 3HG2 THR 41 3HG2 THR 41 2.081 5.474 -2.299 312 H GLY 42 H GLY 42 3.542 4.468 1.379 313 1HA GLY 42 2HA GLY 42 3.862 7.042 2.776 314 2HA GLY 42 1HA GLY 42 4.655 5.536 3.221 315 H VAL 43 H VAL 43 4.412 7.722 0.438 316 HA VAL 43 HA VAL 43 7.182 7.047 -0.247 317 HB VAL 43 HB VAL 43 5.033 8.351 -1.930 318 1HG1 VAL 43 1HG1 VAL 43 7.214 9.147 -2.591 319 2HG1 VAL 43 2HG1 VAL 43 6.622 8.003 -3.797 320 3HG1 VAL 43 3HG1 VAL 43 7.841 7.500 -2.626 321 1HG2 VAL 43 1HG2 VAL 43 4.573 6.000 -1.504 322 2HG2 VAL 43 2HG2 VAL 43 6.204 5.571 -2.022 323 3HG2 VAL 43 3HG2 VAL 43 5.058 6.238 -3.184 324 H SER 44 H SER 44 8.664 8.438 0.428 325 HA SER 44 HA SER 44 8.128 11.165 1.043 326 1HB SER 44 2HB SER 44 10.793 9.813 0.533 327 2HB SER 44 1HB SER 44 10.551 11.367 1.330 328 HG SER 44 HG SER 44 9.861 8.780 2.252 329 H ASP 45 H ASP 45 8.417 12.979 -0.180 330 HA ASP 45 HA ASP 45 9.089 12.551 -3.021 331 1HB ASP 45 2HB ASP 45 6.647 12.527 -2.761 332 2HB ASP 45 1HB ASP 45 6.709 14.084 -1.945 333 H GLU 46 H GLU 46 9.782 14.177 -0.260 334 HA GLU 46 HA GLU 46 10.021 16.859 -0.947 335 1HB GLU 46 2HB GLU 46 11.941 15.323 0.811 336 2HB GLU 46 1HB GLU 46 11.638 17.052 0.847 337 1HG GLU 46 2HG GLU 46 10.463 16.264 2.676 338 2HG GLU 46 1HG GLU 46 9.218 16.394 1.434 339 H LEU 47 H LEU 47 12.255 14.180 -1.519 340 HA LEU 47 HA LEU 47 14.360 15.759 -2.573 341 1HB LEU 47 2HB LEU 47 14.684 13.472 -1.735 342 2HB LEU 47 1HB LEU 47 13.714 12.848 -3.056 343 HG LEU 47 HG LEU 47 15.417 13.754 -4.653 344 1HD1 LEU 47 1HD1 LEU 47 17.002 14.222 -2.131 345 2HD1 LEU 47 2HD1 LEU 47 16.382 15.466 -3.214 346 3HD1 LEU 47 3HD1 LEU 47 17.621 14.344 -3.777 347 1HD2 LEU 47 1HD2 LEU 47 15.388 11.403 -3.976 348 2HD2 LEU 47 2HD2 LEU 47 16.439 11.783 -2.611 349 3HD2 LEU 47 3HD2 LEU 47 17.029 11.977 -4.262 350 H GLY 48 H GLY 48 11.466 14.387 -3.965 351 1HA GLY 48 2HA GLY 48 10.560 14.497 -6.077 352 2HA GLY 48 1HA GLY 48 11.573 15.914 -6.319 353 H GLY 49 H GLY 49 12.483 12.538 -5.736 354 1HA GLY 49 2HA GLY 49 14.530 12.685 -7.740 355 2HA GLY 49 1HA GLY 49 14.124 11.284 -6.760 356 H GLN 50 H GLN 50 12.903 13.215 -9.469 357 HA GLN 50 HA GLN 50 11.888 12.672 -11.418 358 1HB GLN 50 2HB GLN 50 13.610 10.238 -10.992 359 2HB GLN 50 1HB GLN 50 12.642 10.454 -12.441 360 1HG GLN 50 2HG GLN 50 14.908 11.129 -12.869 361 2HG GLN 50 1HG GLN 50 13.855 12.538 -12.917 362 1HE2 GLN 50 1HE2 GLN 50 16.362 10.894 -11.142 363 2HE2 GLN 50 2HE2 GLN 50 16.805 12.233 -10.134 364 H GLY 51 H GLY 51 10.162 12.428 -9.414 365 1HA GLY 51 2HA GLY 51 8.133 11.514 -8.860 366 2HA GLY 51 1HA GLY 51 8.217 10.626 -10.371 367 H VAL 52 H VAL 52 9.415 10.591 -7.034 368 HA VAL 52 HA VAL 52 10.324 7.937 -7.017 369 HB VAL 52 HB VAL 52 9.167 9.431 -4.656 370 1HG1 VAL 52 1HG1 VAL 52 10.754 8.037 -3.359 371 2HG1 VAL 52 2HG1 VAL 52 11.138 7.156 -4.839 372 3HG1 VAL 52 3HG1 VAL 52 9.505 7.096 -4.175 373 1HG2 VAL 52 1HG2 VAL 52 10.844 10.804 -5.761 374 2HG2 VAL 52 2HG2 VAL 52 11.987 9.461 -5.723 375 3HG2 VAL 52 3HG2 VAL 52 11.447 10.205 -4.216 376 H GLY 53 H GLY 53 7.172 9.311 -6.092 377 1HA GLY 53 2HA GLY 53 5.983 6.812 -5.441 378 2HA GLY 53 1HA GLY 53 5.126 8.312 -5.768 379 H LYS 54 H LYS 54 6.321 8.633 -8.403 380 HA LYS 54 HA LYS 54 4.379 7.232 -9.918 381 1HB LYS 54 2HB LYS 54 5.382 9.472 -10.506 382 2HB LYS 54 1HB LYS 54 6.851 8.624 -10.963 383 1HG LYS 54 2HG LYS 54 5.580 7.370 -12.653 384 2HG LYS 54 1HG LYS 54 4.135 8.286 -12.217 385 1HD LYS 54 2HD LYS 54 5.392 10.375 -12.790 386 2HD LYS 54 1HD LYS 54 6.695 9.354 -13.402 387 1HE LYS 54 2HE LYS 54 5.271 10.088 -15.224 388 2HE LYS 54 1HE LYS 54 5.132 8.343 -15.007 389 1HZ LYS 54 1HZ LYS 54 2.972 9.434 -15.360 390 2HZ LYS 54 2HZ LYS 54 3.208 10.343 -13.945 391 3HZ LYS 54 3HZ LYS 54 3.060 8.657 -13.854 392 H LYS 55 H LYS 55 7.799 6.770 -9.294 393 HA LYS 55 HA LYS 55 8.324 4.714 -11.119 394 1HB LYS 55 2HB LYS 55 10.058 5.935 -9.856 395 2HB LYS 55 1HB LYS 55 9.510 5.165 -8.373 396 1HG LYS 55 2HG LYS 55 10.143 2.982 -9.273 397 2HG LYS 55 1HG LYS 55 10.706 3.760 -10.754 398 1HD LYS 55 2HD LYS 55 11.784 4.545 -8.065 399 2HD LYS 55 1HD LYS 55 12.434 3.159 -8.938 400 1HE LYS 55 2HE LYS 55 13.800 5.069 -9.406 401 2HE LYS 55 1HE LYS 55 12.899 4.655 -10.861 402 1HZ LYS 55 1HZ LYS 55 11.394 6.461 -10.454 403 2HZ LYS 55 2HZ LYS 55 12.979 7.056 -10.411 404 3HZ LYS 55 3HZ LYS 55 12.132 6.809 -8.968 405 H LEU 56 H LEU 56 7.270 4.574 -7.727 406 HA LEU 56 HA LEU 56 7.082 1.758 -7.595 407 1HB LEU 56 2HB LEU 56 5.824 3.955 -5.967 408 2HB LEU 56 1HB LEU 56 5.566 2.257 -5.615 409 HG LEU 56 HG LEU 56 8.268 3.603 -5.633 410 1HD1 LEU 56 1HD1 LEU 56 6.479 2.827 -3.333 411 2HD1 LEU 56 2HD1 LEU 56 6.887 4.469 -3.832 412 3HD1 LEU 56 3HD1 LEU 56 8.138 3.405 -3.190 413 1HD2 LEU 56 1HD2 LEU 56 8.345 1.216 -6.144 414 2HD2 LEU 56 2HD2 LEU 56 7.389 0.869 -4.705 415 3HD2 LEU 56 3HD2 LEU 56 9.011 1.542 -4.544 416 H LEU 57 H LEU 57 4.643 4.274 -8.174 417 HA LEU 57 HA LEU 57 2.425 2.576 -8.355 418 1HB LEU 57 2HB LEU 57 2.299 5.038 -8.150 419 2HB LEU 57 1HB LEU 57 2.876 5.189 -9.798 420 HG LEU 57 HG LEU 57 0.841 4.006 -10.588 421 1HD1 LEU 57 1HD1 LEU 57 0.005 4.203 -7.697 422 2HD1 LEU 57 2HD1 LEU 57 0.335 2.720 -8.593 423 3HD1 LEU 57 3HD1 LEU 57 -1.042 3.731 -9.036 424 1HD2 LEU 57 1HD2 LEU 57 0.325 6.457 -8.906 425 2HD2 LEU 57 2HD2 LEU 57 -0.703 5.862 -10.208 426 3HD2 LEU 57 3HD2 LEU 57 0.923 6.445 -10.567 427 H LYS 58 H LYS 58 4.794 3.559 -10.771 428 HA LYS 58 HA LYS 58 3.525 2.538 -13.046 429 1HB LYS 58 2HB LYS 58 5.573 3.963 -13.077 430 2HB LYS 58 1HB LYS 58 6.504 2.578 -12.520 431 1HG LYS 58 2HG LYS 58 5.804 1.355 -14.565 432 2HG LYS 58 1HG LYS 58 5.020 2.829 -15.131 433 1HD LYS 58 2HD LYS 58 7.136 2.769 -16.180 434 2HD LYS 58 1HD LYS 58 7.268 3.961 -14.887 435 1HE LYS 58 2HE LYS 58 9.243 2.631 -14.848 436 2HE LYS 58 1HE LYS 58 8.267 2.184 -13.451 437 1HZ LYS 58 1HZ LYS 58 9.185 0.240 -14.562 438 2HZ LYS 58 2HZ LYS 58 8.419 0.670 -16.009 439 3HZ LYS 58 3HZ LYS 58 7.494 0.234 -14.661 440 H ALA 59 H ALA 59 5.729 0.983 -10.741 441 HA ALA 59 HA ALA 59 5.958 -1.479 -12.067 442 1HB ALA 59 1HB ALA 59 6.130 -0.927 -9.106 443 2HB ALA 59 2HB ALA 59 7.458 -0.816 -10.260 444 3HB ALA 59 3HB ALA 59 6.713 -2.378 -9.923 445 H VAL 60 H VAL 60 3.632 -0.346 -9.652 446 HA VAL 60 HA VAL 60 2.263 -2.799 -9.344 447 HB VAL 60 HB VAL 60 1.176 0.002 -8.973 448 1HG1 VAL 60 1HG1 VAL 60 -0.581 -1.682 -9.080 449 2HG1 VAL 60 2HG1 VAL 60 -0.416 -1.050 -7.441 450 3HG1 VAL 60 3HG1 VAL 60 0.244 -2.635 -7.844 451 1HG2 VAL 60 1HG2 VAL 60 2.515 -1.836 -6.989 452 2HG2 VAL 60 2HG2 VAL 60 1.773 -0.280 -6.614 453 3HG2 VAL 60 3HG2 VAL 60 3.197 -0.352 -7.653 454 H VAL 61 H VAL 61 1.511 0.073 -11.313 455 HA VAL 61 HA VAL 61 -0.800 -0.946 -12.540 456 HB VAL 61 HB VAL 61 1.152 1.138 -13.543 457 1HG1 VAL 61 1HG1 VAL 61 -1.652 0.559 -14.493 458 2HG1 VAL 61 2HG1 VAL 61 -0.171 0.233 -15.394 459 3HG1 VAL 61 3HG1 VAL 61 -0.632 1.895 -15.025 460 1HG2 VAL 61 1HG2 VAL 61 -0.527 2.733 -12.716 461 2HG2 VAL 61 2HG2 VAL 61 0.126 1.725 -11.424 462 3HG2 VAL 61 3HG2 VAL 61 -1.475 1.387 -12.083 463 H GLU 62 H GLU 62 2.586 -1.067 -13.472 464 HA GLU 62 HA GLU 62 2.241 -2.097 -16.070 465 1HB GLU 62 2HB GLU 62 4.277 -0.974 -15.060 466 2HB GLU 62 1HB GLU 62 4.625 -2.499 -14.267 467 1HG GLU 62 2HG GLU 62 5.131 -3.564 -16.275 468 2HG GLU 62 1HG GLU 62 4.322 -2.326 -17.240 469 H HIS 63 H HIS 63 2.868 -3.701 -12.957 470 HA HIS 63 HA HIS 63 2.943 -6.323 -14.099 471 1HB HIS 63 2HB HIS 63 4.082 -5.747 -11.972 472 2HB HIS 63 1HB HIS 63 2.511 -5.525 -11.211 473 HD1 HIS 63 HD1 HIS 63 3.924 -8.363 -13.342 474 HD2 HIS 63 HD2 HIS 63 2.057 -7.695 -9.679 475 HE1 HIS 63 HE1 HIS 63 3.646 -10.633 -12.291 476 HE2 HIS 63 HE2 HIS 63 2.316 -10.223 -10.190 477 H ALA 64 H ALA 64 0.444 -4.369 -12.541 478 HA ALA 64 HA ALA 64 -1.537 -6.388 -12.447 479 1HB ALA 64 1HB ALA 64 -1.714 -4.311 -11.164 480 2HB ALA 64 2HB ALA 64 -3.132 -4.559 -12.181 481 3HB ALA 64 3HB ALA 64 -1.895 -3.401 -12.663 482 H ARG 65 H ARG 65 -0.502 -4.130 -14.901 483 HA ARG 65 HA ARG 65 -2.569 -4.491 -16.766 484 1HB ARG 65 2HB ARG 65 -0.704 -2.743 -16.717 485 2HB ARG 65 1HB ARG 65 0.332 -3.977 -17.415 486 1HG ARG 65 2HG ARG 65 -1.055 -4.083 -19.386 487 2HG ARG 65 1HG ARG 65 -2.198 -2.935 -18.675 488 1HD ARG 65 2HD ARG 65 -0.386 -1.263 -18.557 489 2HD ARG 65 1HD ARG 65 0.700 -2.405 -19.340 490 HE ARG 65 HE ARG 65 -1.555 -2.066 -20.974 491 1HH1 ARG 65 2HH1 ARG 65 1.206 -0.254 -19.798 492 2HH1 ARG 65 1HH1 ARG 65 1.298 0.781 -21.188 493 1HH2 ARG 65 1HH2 ARG 65 -1.454 -0.706 -22.813 494 2HH2 ARG 65 2HH2 ARG 65 -0.229 0.521 -22.905 495 H GLU 66 H GLU 66 0.380 -6.284 -16.101 496 HA GLU 66 HA GLU 66 0.290 -8.043 -18.309 497 1HB GLU 66 2HB GLU 66 1.372 -8.633 -15.550 498 2HB GLU 66 1HB GLU 66 1.795 -9.459 -17.040 499 1HG GLU 66 2HG GLU 66 2.812 -7.380 -17.871 500 2HG GLU 66 1HG GLU 66 2.439 -6.608 -16.329 501 H ASN 67 H ASN 67 -0.873 -8.381 -14.966 502 HA ASN 67 HA ASN 67 -1.827 -11.059 -15.520 503 1HB ASN 67 2HB ASN 67 -2.016 -9.451 -12.968 504 2HB ASN 67 1HB ASN 67 -2.323 -11.174 -13.134 505 1HD2 ASN 67 1HD2 ASN 67 -0.058 -11.505 -15.004 506 2HD2 ASN 67 2HD2 ASN 67 1.362 -11.439 -14.023 507 H ASN 68 H ASN 68 -3.127 -8.147 -16.149 508 HA ASN 68 HA ASN 68 -5.225 -7.442 -16.704 509 1HB ASN 68 2HB ASN 68 -5.887 -10.369 -16.314 510 2HB ASN 68 1HB ASN 68 -7.070 -9.180 -16.838 511 1HD2 ASN 68 1HD2 ASN 68 -3.705 -9.164 -17.840 512 2HD2 ASN 68 2HD2 ASN 68 -4.002 -9.592 -19.491 513 H LEU 69 H LEU 69 -4.303 -7.135 -14.082 514 HA LEU 69 HA LEU 69 -6.492 -7.817 -12.292 515 1HB LEU 69 2HB LEU 69 -3.901 -6.354 -11.782 516 2HB LEU 69 1HB LEU 69 -5.068 -6.791 -10.548 517 HG LEU 69 HG LEU 69 -3.514 -8.739 -12.257 518 1HD1 LEU 69 1HD1 LEU 69 -2.349 -9.283 -10.175 519 2HD1 LEU 69 2HD1 LEU 69 -3.235 -8.004 -9.345 520 3HD1 LEU 69 3HD1 LEU 69 -2.099 -7.598 -10.633 521 1HD2 LEU 69 1HD2 LEU 69 -5.400 -9.212 -9.949 522 2HD2 LEU 69 2HD2 LEU 69 -4.438 -10.443 -10.767 523 3HD2 LEU 69 3HD2 LEU 69 -5.715 -9.598 -11.641 524 H LYS 70 H LYS 70 -7.186 -6.035 -10.741 525 HA LYS 70 HA LYS 70 -7.722 -3.569 -12.278 526 1HB LYS 70 2HB LYS 70 -9.359 -4.717 -10.009 527 2HB LYS 70 1HB LYS 70 -9.779 -3.346 -11.023 528 1HG LYS 70 2HG LYS 70 -10.064 -4.786 -12.931 529 2HG LYS 70 1HG LYS 70 -9.504 -6.179 -11.999 530 1HD LYS 70 2HD LYS 70 -11.402 -5.821 -10.436 531 2HD LYS 70 1HD LYS 70 -11.993 -4.550 -11.507 532 1HE LYS 70 2HE LYS 70 -12.345 -6.119 -13.278 533 2HE LYS 70 1HE LYS 70 -11.541 -7.402 -12.369 534 1HZ LYS 70 1HZ LYS 70 -13.965 -7.584 -12.283 535 2HZ LYS 70 2HZ LYS 70 -14.065 -6.055 -11.559 536 3HZ LYS 70 3HZ LYS 70 -13.307 -7.329 -10.737 537 H ILE 71 H ILE 71 -7.007 -1.680 -11.403 538 HA ILE 71 HA ILE 71 -5.877 -1.855 -8.696 539 HB ILE 71 HB ILE 71 -5.215 0.028 -10.955 540 1HG1 ILE 71 2HG1 ILE 71 -3.655 -2.142 -9.541 541 2HG1 ILE 71 1HG1 ILE 71 -4.259 -2.192 -11.195 542 1HG2 ILE 71 1HG2 ILE 71 -4.066 -0.016 -8.163 543 2HG2 ILE 71 2HG2 ILE 71 -5.156 1.213 -8.804 544 3HG2 ILE 71 3HG2 ILE 71 -3.543 1.019 -9.492 545 1HD1 ILE 71 1HD1 ILE 71 -2.188 -0.280 -10.151 546 2HD1 ILE 71 2HD1 ILE 71 -2.768 -0.390 -11.814 547 3HD1 ILE 71 3HD1 ILE 71 -1.868 -1.729 -11.103 548 H ILE 72 H ILE 72 -6.988 -0.997 -7.144 549 HA ILE 72 HA ILE 72 -8.296 1.604 -7.606 550 HB ILE 72 HB ILE 72 -9.806 1.060 -5.691 551 1HG1 ILE 72 2HG1 ILE 72 -8.739 -1.745 -6.081 552 2HG1 ILE 72 1HG1 ILE 72 -8.442 -0.726 -4.677 553 1HG2 ILE 72 1HG2 ILE 72 -10.583 0.885 -7.985 554 2HG2 ILE 72 2HG2 ILE 72 -11.324 -0.360 -6.981 555 3HG2 ILE 72 3HG2 ILE 72 -10.003 -0.779 -8.070 556 1HD1 ILE 72 1HD1 ILE 72 -10.836 -0.755 -4.165 557 2HD1 ILE 72 2HD1 ILE 72 -10.146 -2.377 -4.200 558 3HD1 ILE 72 3HD1 ILE 72 -11.111 -1.799 -5.559 559 H ALA 73 H ALA 73 -8.313 2.968 -5.567 560 HA ALA 73 HA ALA 73 -5.912 2.411 -3.972 561 1HB ALA 73 1HB ALA 73 -5.313 3.928 -5.806 562 2HB ALA 73 2HB ALA 73 -5.150 4.695 -4.225 563 3HB ALA 73 3HB ALA 73 -6.539 5.068 -5.247 564 H SER 74 H SER 74 -6.163 2.683 -1.885 565 HA SER 74 HA SER 74 -8.602 3.849 -0.835 566 1HB SER 74 2HB SER 74 -7.698 1.740 0.116 567 2HB SER 74 1HB SER 74 -6.236 2.596 0.601 568 HG SER 74 HG SER 74 -8.875 3.175 1.486 569 H CYS 75 H CYS 75 -5.098 4.374 -0.673 570 HA CYS 75 HA CYS 75 -5.204 6.796 0.766 571 1HB CYS 75 2HB CYS 75 -3.131 5.606 -1.060 572 2HB CYS 75 1HB CYS 75 -2.905 7.160 -0.266 573 HG CYS 75 HG CYS 75 -3.675 5.602 2.253 574 H SER 76 H SER 76 -5.898 8.738 0.126 575 HA SER 76 HA SER 76 -7.025 9.161 -2.414 576 1HB SER 76 2HB SER 76 -7.644 10.364 -0.291 577 2HB SER 76 1HB SER 76 -6.163 11.307 -0.465 578 HG SER 76 HG SER 76 -7.043 12.433 -2.031 579 H PHE 77 H PHE 77 -3.826 9.782 -1.157 580 HA PHE 77 HA PHE 77 -2.889 11.576 -3.085 581 1HB PHE 77 2HB PHE 77 -1.633 11.087 -1.049 582 2HB PHE 77 1HB PHE 77 -1.383 9.427 -1.575 583 HD1 PHE 77 HD1 PHE 77 -0.806 12.898 -2.836 584 HD2 PHE 77 HD2 PHE 77 0.649 8.911 -2.490 585 HE1 PHE 77 HE1 PHE 77 1.285 13.569 -3.944 586 HE2 PHE 77 HE2 PHE 77 2.743 9.578 -3.596 587 HZ PHE 77 HZ PHE 77 3.062 11.908 -4.327 588 H ALA 78 H ALA 78 -2.464 8.033 -3.002 589 HA ALA 78 HA ALA 78 -1.341 7.840 -5.581 590 1HB ALA 78 1HB ALA 78 -2.797 5.729 -3.990 591 2HB ALA 78 2HB ALA 78 -1.078 6.107 -3.870 592 3HB ALA 78 3HB ALA 78 -1.732 5.443 -5.367 593 H LYS 79 H LYS 79 -4.645 7.638 -4.394 594 HA LYS 79 HA LYS 79 -5.896 6.789 -6.757 595 1HB LYS 79 2HB LYS 79 -6.953 6.869 -4.493 596 2HB LYS 79 1HB LYS 79 -7.016 8.618 -4.619 597 1HG LYS 79 2HG LYS 79 -8.326 6.944 -6.713 598 2HG LYS 79 1HG LYS 79 -9.116 7.179 -5.154 599 1HD LYS 79 2HD LYS 79 -8.205 9.381 -7.009 600 2HD LYS 79 1HD LYS 79 -9.866 8.811 -6.839 601 1HE LYS 79 2HE LYS 79 -8.216 9.968 -4.595 602 2HE LYS 79 1HE LYS 79 -9.370 10.889 -5.553 603 1HZ LYS 79 1HZ LYS 79 -11.138 9.456 -4.776 604 2HZ LYS 79 2HZ LYS 79 -10.319 10.131 -3.453 605 3HZ LYS 79 3HZ LYS 79 -10.037 8.516 -3.887 606 H HIS 80 H HIS 80 -4.986 9.985 -5.587 607 HA HIS 80 HA HIS 80 -6.259 11.377 -7.734 608 1HB HIS 80 2HB HIS 80 -5.765 12.288 -5.405 609 2HB HIS 80 1HB HIS 80 -4.100 12.482 -5.943 610 HD1 HIS 80 HD1 HIS 80 -7.496 13.427 -7.399 611 HD2 HIS 80 HD2 HIS 80 -3.704 15.015 -6.738 612 HE1 HIS 80 HE1 HIS 80 -7.585 15.798 -8.259 613 HE2 HIS 80 HE2 HIS 80 -5.364 16.801 -7.588 614 H MET 81 H MET 81 -3.179 9.882 -7.265 615 HA MET 81 HA MET 81 -1.803 11.203 -9.381 616 1HB MET 81 2HB MET 81 -1.383 8.453 -8.182 617 2HB MET 81 1HB MET 81 -0.292 9.215 -9.331 618 1HG MET 81 2HG MET 81 0.128 11.017 -7.736 619 2HG MET 81 1HG MET 81 -0.967 10.254 -6.587 620 1HE MET 81 1HE MET 81 1.598 8.479 -8.993 621 2HE MET 81 2HE MET 81 3.024 8.391 -7.959 622 3HE MET 81 3HE MET 81 2.430 9.957 -8.511 623 H LEU 82 H LEU 82 -3.935 8.443 -9.151 624 HA LEU 82 HA LEU 82 -3.654 7.591 -11.854 625 1HB LEU 82 2HB LEU 82 -5.888 7.111 -9.878 626 2HB LEU 82 1HB LEU 82 -5.688 6.264 -11.400 627 HG LEU 82 HG LEU 82 -3.727 6.161 -9.104 628 1HD1 LEU 82 1HD1 LEU 82 -4.539 3.871 -8.792 629 2HD1 LEU 82 2HD1 LEU 82 -5.780 4.152 -10.013 630 3HD1 LEU 82 3HD1 LEU 82 -5.803 5.065 -8.504 631 1HD2 LEU 82 1HD2 LEU 82 -2.696 5.834 -11.297 632 2HD2 LEU 82 2HD2 LEU 82 -3.871 4.570 -11.662 633 3HD2 LEU 82 3HD2 LEU 82 -2.704 4.341 -10.358 634 H GLU 83 H GLU 83 -5.699 9.875 -10.170 635 HA GLU 83 HA GLU 83 -7.471 10.410 -12.332 636 1HB GLU 83 2HB GLU 83 -6.659 12.201 -10.032 637 2HB GLU 83 1HB GLU 83 -8.026 12.467 -11.098 638 1HG GLU 83 2HG GLU 83 -9.069 10.418 -10.271 639 2HG GLU 83 1HG GLU 83 -7.694 10.164 -9.193 640 H LYS 84 H LYS 84 -4.386 11.698 -11.279 641 HA LYS 84 HA LYS 84 -4.227 14.001 -12.819 642 1HB LYS 84 2HB LYS 84 -2.605 13.636 -11.114 643 2HB LYS 84 1HB LYS 84 -2.090 12.116 -11.832 644 1HG LYS 84 2HG LYS 84 -1.353 13.503 -13.837 645 2HG LYS 84 1HG LYS 84 -1.566 14.907 -12.791 646 1HD LYS 84 2HD LYS 84 0.042 14.024 -11.215 647 2HD LYS 84 1HD LYS 84 0.201 12.544 -12.163 648 1HE LYS 84 2HE LYS 84 0.907 15.317 -13.115 649 2HE LYS 84 1HE LYS 84 2.061 14.122 -12.531 650 1HZ LYS 84 1HZ LYS 84 1.985 14.165 -14.940 651 2HZ LYS 84 2HZ LYS 84 0.321 13.835 -14.929 652 3HZ LYS 84 3HZ LYS 84 1.420 12.673 -14.371 653 H GLU 85 H GLU 85 -3.159 10.706 -13.633 654 HA GLU 85 HA GLU 85 -2.514 11.719 -16.317 655 1HB GLU 85 2HB GLU 85 -0.674 10.916 -14.661 656 2HB GLU 85 1HB GLU 85 -1.227 9.307 -15.097 657 1HG GLU 85 2HG GLU 85 -0.553 9.542 -17.309 658 2HG GLU 85 1HG GLU 85 -0.448 11.300 -17.186 659 H ASP 86 H ASP 86 -3.788 11.007 -17.842 660 HA ASP 86 HA ASP 86 -5.661 8.885 -17.400 661 1HB ASP 86 2HB ASP 86 -5.011 10.532 -19.853 662 2HB ASP 86 1HB ASP 86 -6.296 9.330 -19.799 663 H SER 87 H SER 87 -2.483 8.743 -18.061 664 HA SER 87 HA SER 87 -2.511 6.682 -20.084 665 1HB SER 87 2HB SER 87 -0.660 8.394 -19.811 666 2HB SER 87 1HB SER 87 -0.180 7.533 -18.350 667 HG SER 87 HG SER 87 0.086 5.649 -19.682 668 H TYR 88 H TYR 88 -3.189 6.750 -16.838 669 HA TYR 88 HA TYR 88 -2.259 3.997 -16.399 670 1HB TYR 88 2HB TYR 88 -3.361 6.043 -14.461 671 2HB TYR 88 1HB TYR 88 -2.937 4.393 -14.024 672 HD1 TYR 88 HD1 TYR 88 -0.477 3.681 -14.536 673 HD2 TYR 88 HD2 TYR 88 -1.773 7.723 -14.250 674 HE1 TYR 88 HE1 TYR 88 1.835 4.385 -14.074 675 HE2 TYR 88 HE2 TYR 88 0.534 8.436 -13.793 676 HH TYR 88 HH TYR 88 3.220 6.325 -14.187 677 H GLN 89 H GLN 89 -4.703 5.202 -17.937 678 HA GLN 89 HA GLN 89 -6.978 4.343 -16.406 679 1HB GLN 89 2HB GLN 89 -6.915 6.300 -18.010 680 2HB GLN 89 1HB GLN 89 -6.912 5.128 -19.320 681 1HG GLN 89 2HG GLN 89 -9.068 4.277 -18.588 682 2HG GLN 89 1HG GLN 89 -9.065 5.407 -17.232 683 1HE2 GLN 89 1HE2 GLN 89 -9.358 7.608 -17.633 684 2HE2 GLN 89 2HE2 GLN 89 -10.033 8.183 -19.115 685 H ASP 90 H ASP 90 -4.740 2.591 -18.003 686 HA ASP 90 HA ASP 90 -6.302 0.757 -19.493 687 1HB ASP 90 2HB ASP 90 -3.601 0.419 -18.176 688 2HB ASP 90 1HB ASP 90 -4.331 -0.766 -19.254 689 H VAL 91 H VAL 91 -4.830 0.449 -16.266 690 HA VAL 91 HA VAL 91 -6.680 -1.749 -15.675 691 HB VAL 91 HB VAL 91 -5.210 -2.158 -13.699 692 1HG1 VAL 91 1HG1 VAL 91 -4.899 -3.436 -15.732 693 2HG1 VAL 91 2HG1 VAL 91 -3.328 -3.079 -15.011 694 3HG1 VAL 91 3HG1 VAL 91 -3.886 -2.165 -16.411 695 1HG2 VAL 91 1HG2 VAL 91 -4.327 0.116 -13.467 696 2HG2 VAL 91 2HG2 VAL 91 -3.457 -0.064 -14.992 697 3HG2 VAL 91 3HG2 VAL 91 -3.029 -1.069 -13.605 698 H TYR 92 H TYR 92 -6.483 1.519 -15.242 699 HA TYR 92 HA TYR 92 -7.715 1.620 -12.628 700 1HB TYR 92 2HB TYR 92 -6.230 3.441 -13.386 701 2HB TYR 92 1HB TYR 92 -7.327 3.780 -14.718 702 HD1 TYR 92 HD1 TYR 92 -8.779 5.552 -14.458 703 HD2 TYR 92 HD2 TYR 92 -7.436 3.482 -10.988 704 HE1 TYR 92 HE1 TYR 92 -9.996 7.148 -13.038 705 HE2 TYR 92 HE2 TYR 92 -8.656 5.073 -9.563 706 HH TYR 92 HH TYR 92 -9.486 7.461 -9.758 707 H LEU 93 H LEU 93 -9.759 1.068 -12.381 708 HA LEU 93 HA LEU 93 -11.526 0.589 -14.522 709 1HB LEU 93 2HB LEU 93 -12.125 0.895 -11.580 710 2HB LEU 93 1HB LEU 93 -13.225 0.228 -12.770 711 HG LEU 93 HG LEU 93 -10.560 -0.967 -11.996 712 1HD1 LEU 93 1HD1 LEU 93 -13.371 -1.824 -11.319 713 2HD1 LEU 93 2HD1 LEU 93 -12.198 -1.127 -10.201 714 3HD1 LEU 93 3HD1 LEU 93 -11.896 -2.706 -10.924 715 1HD2 LEU 93 1HD2 LEU 93 -11.286 -2.882 -13.328 716 2HD2 LEU 93 2HD2 LEU 93 -11.175 -1.426 -14.317 717 3HD2 LEU 93 3HD2 LEU 93 -12.751 -2.016 -13.790 718 H GLY 94 H GLY 94 -11.100 3.337 -12.391 719 1HA GLY 94 2HA GLY 94 -11.751 5.532 -12.764 720 2HA GLY 94 1HA GLY 94 -12.641 4.997 -14.182 721 H LEU 95 H LEU 95 -13.527 6.852 -12.183 722 HA LEU 95 HA LEU 95 -15.693 5.347 -10.895 723 1HB LEU 95 2HB LEU 95 -14.801 8.203 -10.458 724 2HB LEU 95 1HB LEU 95 -16.068 7.384 -9.567 725 HG LEU 95 HG LEU 95 -13.145 6.621 -9.532 726 1HD1 LEU 95 1HD1 LEU 95 -14.842 8.032 -7.479 727 2HD1 LEU 95 2HD1 LEU 95 -13.537 8.745 -8.425 728 3HD1 LEU 95 3HD1 LEU 95 -13.180 7.487 -7.241 729 1HD2 LEU 95 1HD2 LEU 95 -14.628 4.708 -9.196 730 2HD2 LEU 95 2HD2 LEU 95 -15.479 5.583 -7.923 731 3HD2 LEU 95 3HD2 LEU 95 -13.790 5.131 -7.702 732 H GLU 96 H GLU 96 -15.234 8.491 -12.467 733 HA GLU 96 HA GLU 96 -17.631 8.035 -14.079 734 1HB GLU 96 2HB GLU 96 -18.105 9.326 -11.892 735 2HB GLU 96 1HB GLU 96 -17.199 10.640 -12.617 736 1HG GLU 96 2HG GLU 96 -19.571 9.419 -13.981 737 2HG GLU 96 1HG GLU 96 -19.738 10.693 -12.778 738 H HIS 97 H HIS 97 -16.300 7.820 -15.866 739 HA HIS 97 HA HIS 97 -14.172 9.538 -16.519 740 1HB HIS 97 2HB HIS 97 -14.242 8.554 -18.753 741 2HB HIS 97 1HB HIS 97 -14.409 7.309 -17.527 742 HD1 HIS 97 HD1 HIS 97 -15.651 8.051 -20.699 743 HD2 HIS 97 HD2 HIS 97 -17.478 6.902 -17.139 744 HE1 HIS 97 HE1 HIS 97 -17.880 7.081 -21.355 745 HE2 HIS 97 HE2 HIS 97 -18.889 6.241 -19.199 746 H HIS 98 H HIS 98 -14.266 11.619 -16.917 747 HA HIS 98 HA HIS 98 -16.262 12.662 -18.756 748 1HB HIS 98 2HB HIS 98 -16.746 12.804 -16.028 749 2HB HIS 98 1HB HIS 98 -16.062 14.380 -16.407 750 HD1 HIS 98 HD1 HIS 98 -19.147 12.467 -16.535 751 HD2 HIS 98 HD2 HIS 98 -17.568 15.782 -18.497 752 HE1 HIS 98 HE1 HIS 98 -21.112 13.627 -17.614 753 HE2 HIS 98 HE2 HIS 98 -20.136 15.623 -18.809 754 H HIS 99 H HIS 99 -14.925 13.520 -20.182 755 HA HIS 99 HA HIS 99 -13.070 15.597 -19.227 756 1HB HIS 99 2HB HIS 99 -12.591 13.452 -21.266 757 2HB HIS 99 1HB HIS 99 -11.819 15.015 -21.474 758 HD1 HIS 99 HD1 HIS 99 -9.992 15.678 -19.759 759 HD2 HIS 99 HD2 HIS 99 -11.489 11.828 -19.282 760 HE1 HIS 99 HE1 HIS 99 -8.344 14.488 -18.278 761 HE2 HIS 99 HE2 HIS 99 -9.123 12.093 -18.249 762 H HIS 100 H HIS 100 -13.904 14.583 -22.480 763 HA HIS 100 HA HIS 100 -16.065 16.273 -22.948 764 1HB HIS 100 2HB HIS 100 -14.292 18.061 -22.663 765 2HB HIS 100 1HB HIS 100 -13.513 17.425 -24.110 766 HD1 HIS 100 HD1 HIS 100 -14.175 18.594 -26.203 767 HD2 HIS 100 HD2 HIS 100 -17.152 18.784 -23.294 768 HE1 HIS 100 HE1 HIS 100 -16.022 19.969 -27.205 769 HE2 HIS 100 HE2 HIS 100 -17.845 20.009 -25.470 770 H HIS 101 H HIS 101 -13.642 14.135 -23.854 771 HA HIS 101 HA HIS 101 -13.493 12.559 -25.473 772 1HB HIS 101 2HB HIS 101 -16.033 13.769 -26.598 773 2HB HIS 101 1HB HIS 101 -15.256 12.309 -27.202 774 HD1 HIS 101 HD1 HIS 101 -15.301 10.203 -25.581 775 HD2 HIS 101 HD2 HIS 101 -17.662 13.426 -24.415 776 HE1 HIS 101 HE1 HIS 101 -16.865 9.305 -23.829 777 HE2 HIS 101 HE2 HIS 101 -18.434 11.215 -23.321 778 H HIS 102 HN HIS 102 -14.818 15.393 -27.174 779 HA HIS 102 HA HIS 102 -12.168 15.928 -28.261 780 1HB HIS 102 2HB HIS 102 -13.253 14.514 -29.966 781 2HB HIS 102 1HB HIS 102 -14.626 15.614 -30.010 782 HD1 HIS 102 HD1 HIS 102 -14.498 17.494 -31.635 783 HD2 HIS 102 HD2 HIS 102 -10.779 15.774 -30.917 784 HE1 HIS 102 HE1 HIS 102 -12.918 18.584 -33.264 785 HE2 HIS 102 HE2 HIS 102 -10.645 17.687 -32.659
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